Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:21:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SnO2.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 25 7 1471 659 111 Max 44 26 8 1476 688 114 Sum 1381 825 251 47135 21543 3611 bravais-lattice index = 14 lattice parameter (alat) = 6.0377 a.u. unit-cell volume = 479.1217 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.037675 celldm(2)= 1.473552 celldm(3)= 1.477308 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.473552 0.000000 ) a(3) = ( 0.000000 0.000000 1.477308 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.678632 -0.000000 ) b(3) = ( 0.000000 0.000000 0.676907 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Sn 14.00 118.71000 Sn( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.7367762 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7386541 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7367762 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7386541 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7367762 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7386541 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.7367762 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7386541 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 Cartesian axes number of k points= 484 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0020661 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0020661 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0020661 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0020661 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0020661 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0020661 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0020661 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0020661 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0020661 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0020661 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0020661 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0020661 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0020661 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0020661 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0020661 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0020661 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0020661 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0020661 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0020661 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0020661 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0020661 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0020661 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0020661 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0020661 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0020661 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0020661 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0020661 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0020661 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0020661 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0020661 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0020661 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0020661 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0020661 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0020661 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0020661 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0020661 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0020661 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0020661 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0020661 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0020661 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0020661 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0020661 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0020661 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 53) = ( 0.5000000 0.0099799 -0.0000000), wk = 0.0020661 k( 54) = ( 0.5000000 0.0199598 -0.0000000), wk = 0.0020661 k( 55) = ( 0.5000000 0.0299397 -0.0000000), wk = 0.0020661 k( 56) = ( 0.5000000 0.0399195 -0.0000000), wk = 0.0020661 k( 57) = ( 0.5000000 0.0498994 -0.0000000), wk = 0.0020661 k( 58) = ( 0.5000000 0.0598793 -0.0000000), wk = 0.0020661 k( 59) = ( 0.5000000 0.0698592 -0.0000000), wk = 0.0020661 k( 60) = ( 0.5000000 0.0798391 -0.0000000), wk = 0.0020661 k( 61) = ( 0.5000000 0.0898190 -0.0000000), wk = 0.0020661 k( 62) = ( 0.5000000 0.0997988 -0.0000000), wk = 0.0020661 k( 63) = ( 0.5000000 0.1097787 -0.0000000), wk = 0.0020661 k( 64) = ( 0.5000000 0.1197586 -0.0000000), wk = 0.0020661 k( 65) = ( 0.5000000 0.1297385 -0.0000000), wk = 0.0020661 k( 66) = ( 0.5000000 0.1397184 -0.0000000), wk = 0.0020661 k( 67) = ( 0.5000000 0.1496983 -0.0000000), wk = 0.0020661 k( 68) = ( 0.5000000 0.1596781 -0.0000000), wk = 0.0020661 k( 69) = ( 0.5000000 0.1696580 -0.0000000), wk = 0.0020661 k( 70) = ( 0.5000000 0.1796379 -0.0000000), wk = 0.0020661 k( 71) = ( 0.5000000 0.1896178 -0.0000000), wk = 0.0020661 k( 72) = ( 0.5000000 0.1995977 -0.0000000), wk = 0.0020661 k( 73) = ( 0.5000000 0.2095776 -0.0000000), wk = 0.0020661 k( 74) = ( 0.5000000 0.2195574 -0.0000000), wk = 0.0020661 k( 75) = ( 0.5000000 0.2295373 -0.0000000), wk = 0.0020661 k( 76) = ( 0.5000000 0.2395172 -0.0000000), wk = 0.0020661 k( 77) = ( 0.5000000 0.2494971 -0.0000000), wk = 0.0020661 k( 78) = ( 0.5000000 0.2594770 -0.0000000), wk = 0.0020661 k( 79) = ( 0.5000000 0.2694569 -0.0000000), wk = 0.0020661 k( 80) = ( 0.5000000 0.2794368 -0.0000000), wk = 0.0020661 k( 81) = ( 0.5000000 0.2894166 -0.0000000), wk = 0.0020661 k( 82) = ( 0.5000000 0.2993965 -0.0000000), wk = 0.0020661 k( 83) = ( 0.5000000 0.3093764 -0.0000000), wk = 0.0020661 k( 84) = ( 0.5000000 0.3193563 -0.0000000), wk = 0.0020661 k( 85) = ( 0.5000000 0.3293362 -0.0000000), wk = 0.0020661 k( 86) = ( 0.5000000 0.3393161 -0.0000000), wk = 0.0020661 k( 87) = ( 0.5000000 0.3393161 -0.0000000), wk = 0.0020661 k( 88) = ( 0.4900000 0.3393161 -0.0000000), wk = 0.0020661 k( 89) = ( 0.4800000 0.3393161 -0.0000000), wk = 0.0020661 k( 90) = ( 0.4700000 0.3393161 -0.0000000), wk = 0.0020661 k( 91) = ( 0.4600000 0.3393161 -0.0000000), wk = 0.0020661 k( 92) = ( 0.4500000 0.3393161 -0.0000000), wk = 0.0020661 k( 93) = ( 0.4400000 0.3393161 -0.0000000), wk = 0.0020661 k( 94) = ( 0.4300000 0.3393161 -0.0000000), wk = 0.0020661 k( 95) = ( 0.4200000 0.3393161 -0.0000000), wk = 0.0020661 k( 96) = ( 0.4100000 0.3393161 -0.0000000), wk = 0.0020661 k( 97) = ( 0.4000000 0.3393161 -0.0000000), wk = 0.0020661 k( 98) = ( 0.3900000 0.3393161 -0.0000000), wk = 0.0020661 k( 99) = ( 0.3800000 0.3393161 -0.0000000), wk = 0.0020661 k( 100) = ( 0.3700000 0.3393161 -0.0000000), wk = 0.0020661 k( 101) = ( 0.3600000 0.3393161 -0.0000000), wk = 0.0020661 k( 102) = ( 0.3500000 0.3393161 -0.0000000), wk = 0.0020661 k( 103) = ( 0.3400000 0.3393161 -0.0000000), wk = 0.0020661 k( 104) = ( 0.3300000 0.3393161 -0.0000000), wk = 0.0020661 k( 105) = ( 0.3200000 0.3393161 -0.0000000), wk = 0.0020661 k( 106) = ( 0.3100000 0.3393161 -0.0000000), wk = 0.0020661 k( 107) = ( 0.3000000 0.3393161 -0.0000000), wk = 0.0020661 k( 108) = ( 0.2900000 0.3393161 -0.0000000), wk = 0.0020661 k( 109) = ( 0.2800000 0.3393161 -0.0000000), wk = 0.0020661 k( 110) = ( 0.2700000 0.3393161 -0.0000000), wk = 0.0020661 k( 111) = ( 0.2600000 0.3393161 -0.0000000), wk = 0.0020661 k( 112) = ( 0.2500000 0.3393161 -0.0000000), wk = 0.0020661 k( 113) = ( 0.2400000 0.3393161 -0.0000000), wk = 0.0020661 k( 114) = ( 0.2300000 0.3393161 -0.0000000), wk = 0.0020661 k( 115) = ( 0.2200000 0.3393161 -0.0000000), wk = 0.0020661 k( 116) = ( 0.2100000 0.3393161 -0.0000000), wk = 0.0020661 k( 117) = ( 0.2000000 0.3393161 -0.0000000), wk = 0.0020661 k( 118) = ( 0.1900000 0.3393161 -0.0000000), wk = 0.0020661 k( 119) = ( 0.1800000 0.3393161 -0.0000000), wk = 0.0020661 k( 120) = ( 0.1700000 0.3393161 -0.0000000), wk = 0.0020661 k( 121) = ( 0.1600000 0.3393161 -0.0000000), wk = 0.0020661 k( 122) = ( 0.1500000 0.3393161 -0.0000000), wk = 0.0020661 k( 123) = ( 0.1400000 0.3393161 -0.0000000), wk = 0.0020661 k( 124) = ( 0.1300000 0.3393161 -0.0000000), wk = 0.0020661 k( 125) = ( 0.1200000 0.3393161 -0.0000000), wk = 0.0020661 k( 126) = ( 0.1100000 0.3393161 -0.0000000), wk = 0.0020661 k( 127) = ( 0.1000000 0.3393161 -0.0000000), wk = 0.0020661 k( 128) = ( 0.0900000 0.3393161 -0.0000000), wk = 0.0020661 k( 129) = ( 0.0800000 0.3393161 -0.0000000), wk = 0.0020661 k( 130) = ( 0.0700000 0.3393161 -0.0000000), wk = 0.0020661 k( 131) = ( 0.0600000 0.3393161 -0.0000000), wk = 0.0020661 k( 132) = ( 0.0500000 0.3393161 -0.0000000), wk = 0.0020661 k( 133) = ( 0.0400000 0.3393161 -0.0000000), wk = 0.0020661 k( 134) = ( 0.0300000 0.3393161 -0.0000000), wk = 0.0020661 k( 135) = ( 0.0200000 0.3393161 -0.0000000), wk = 0.0020661 k( 136) = ( 0.0100000 0.3393161 -0.0000000), wk = 0.0020661 k( 137) = ( 0.0000000 0.3393161 -0.0000000), wk = 0.0020661 k( 138) = ( 0.0000000 0.3393161 -0.0000000), wk = 0.0020661 k( 139) = ( 0.0000000 0.3293362 -0.0000000), wk = 0.0020661 k( 140) = ( 0.0000000 0.3193563 -0.0000000), wk = 0.0020661 k( 141) = ( 0.0000000 0.3093764 -0.0000000), wk = 0.0020661 k( 142) = ( 0.0000000 0.2993965 -0.0000000), wk = 0.0020661 k( 143) = ( 0.0000000 0.2894166 -0.0000000), wk = 0.0020661 k( 144) = ( 0.0000000 0.2794368 -0.0000000), wk = 0.0020661 k( 145) = ( 0.0000000 0.2694569 -0.0000000), wk = 0.0020661 k( 146) = ( 0.0000000 0.2594770 -0.0000000), wk = 0.0020661 k( 147) = ( 0.0000000 0.2494971 -0.0000000), wk = 0.0020661 k( 148) = ( 0.0000000 0.2395172 -0.0000000), wk = 0.0020661 k( 149) = ( 0.0000000 0.2295373 -0.0000000), wk = 0.0020661 k( 150) = ( 0.0000000 0.2195574 -0.0000000), wk = 0.0020661 k( 151) = ( 0.0000000 0.2095776 -0.0000000), wk = 0.0020661 k( 152) = ( 0.0000000 0.1995977 -0.0000000), wk = 0.0020661 k( 153) = ( 0.0000000 0.1896178 -0.0000000), wk = 0.0020661 k( 154) = ( 0.0000000 0.1796379 -0.0000000), wk = 0.0020661 k( 155) = ( 0.0000000 0.1696580 -0.0000000), wk = 0.0020661 k( 156) = ( 0.0000000 0.1596781 -0.0000000), wk = 0.0020661 k( 157) = ( 0.0000000 0.1496983 -0.0000000), wk = 0.0020661 k( 158) = ( 0.0000000 0.1397184 -0.0000000), wk = 0.0020661 k( 159) = ( 0.0000000 0.1297385 -0.0000000), wk = 0.0020661 k( 160) = ( 0.0000000 0.1197586 -0.0000000), wk = 0.0020661 k( 161) = ( 0.0000000 0.1097787 -0.0000000), wk = 0.0020661 k( 162) = ( 0.0000000 0.0997988 -0.0000000), wk = 0.0020661 k( 163) = ( 0.0000000 0.0898190 -0.0000000), wk = 0.0020661 k( 164) = ( 0.0000000 0.0798391 -0.0000000), wk = 0.0020661 k( 165) = ( 0.0000000 0.0698592 -0.0000000), wk = 0.0020661 k( 166) = ( 0.0000000 0.0598793 -0.0000000), wk = 0.0020661 k( 167) = ( 0.0000000 0.0498994 -0.0000000), wk = 0.0020661 k( 168) = ( 0.0000000 0.0399195 -0.0000000), wk = 0.0020661 k( 169) = ( 0.0000000 0.0299397 -0.0000000), wk = 0.0020661 k( 170) = ( 0.0000000 0.0199598 -0.0000000), wk = 0.0020661 k( 171) = ( 0.0000000 0.0099799 -0.0000000), wk = 0.0020661 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 174) = ( 0.0000000 0.0000000 0.0099545), wk = 0.0020661 k( 175) = ( 0.0000000 0.0000000 0.0199090), wk = 0.0020661 k( 176) = ( 0.0000000 0.0000000 0.0298635), wk = 0.0020661 k( 177) = ( 0.0000000 0.0000000 0.0398180), wk = 0.0020661 k( 178) = ( 0.0000000 0.0000000 0.0497726), wk = 0.0020661 k( 179) = ( 0.0000000 0.0000000 0.0597271), wk = 0.0020661 k( 180) = ( 0.0000000 0.0000000 0.0696816), wk = 0.0020661 k( 181) = ( 0.0000000 0.0000000 0.0796361), wk = 0.0020661 k( 182) = ( 0.0000000 0.0000000 0.0895906), wk = 0.0020661 k( 183) = ( 0.0000000 0.0000000 0.0995451), wk = 0.0020661 k( 184) = ( 0.0000000 0.0000000 0.1094996), wk = 0.0020661 k( 185) = ( 0.0000000 0.0000000 0.1194541), wk = 0.0020661 k( 186) = ( 0.0000000 0.0000000 0.1294086), wk = 0.0020661 k( 187) = ( 0.0000000 0.0000000 0.1393632), wk = 0.0020661 k( 188) = ( 0.0000000 0.0000000 0.1493177), wk = 0.0020661 k( 189) = ( 0.0000000 0.0000000 0.1592722), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.1692267), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.1791812), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.1891357), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.1990902), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.2090447), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.2189993), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.2289538), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.2389083), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.2488628), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.2588173), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.2687718), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.2787263), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.2886808), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.2986353), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.3085899), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.3185444), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.3284989), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.3384534), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.3384534), wk = 0.0020661 k( 209) = ( 0.0100000 -0.0000000 0.3384534), wk = 0.0020661 k( 210) = ( 0.0200000 -0.0000000 0.3384534), wk = 0.0020661 k( 211) = ( 0.0300000 -0.0000000 0.3384534), wk = 0.0020661 k( 212) = ( 0.0400000 -0.0000000 0.3384534), wk = 0.0020661 k( 213) = ( 0.0500000 -0.0000000 0.3384534), wk = 0.0020661 k( 214) = ( 0.0600000 -0.0000000 0.3384534), wk = 0.0020661 k( 215) = ( 0.0700000 -0.0000000 0.3384534), wk = 0.0020661 k( 216) = ( 0.0800000 -0.0000000 0.3384534), wk = 0.0020661 k( 217) = ( 0.0900000 -0.0000000 0.3384534), wk = 0.0020661 k( 218) = ( 0.1000000 -0.0000000 0.3384534), wk = 0.0020661 k( 219) = ( 0.1100000 -0.0000000 0.3384534), wk = 0.0020661 k( 220) = ( 0.1200000 -0.0000000 0.3384534), wk = 0.0020661 k( 221) = ( 0.1300000 -0.0000000 0.3384534), wk = 0.0020661 k( 222) = ( 0.1400000 -0.0000000 0.3384534), wk = 0.0020661 k( 223) = ( 0.1500000 -0.0000000 0.3384534), wk = 0.0020661 k( 224) = ( 0.1600000 -0.0000000 0.3384534), wk = 0.0020661 k( 225) = ( 0.1700000 -0.0000000 0.3384534), wk = 0.0020661 k( 226) = ( 0.1800000 -0.0000000 0.3384534), wk = 0.0020661 k( 227) = ( 0.1900000 -0.0000000 0.3384534), wk = 0.0020661 k( 228) = ( 0.2000000 -0.0000000 0.3384534), wk = 0.0020661 k( 229) = ( 0.2100000 -0.0000000 0.3384534), wk = 0.0020661 k( 230) = ( 0.2200000 -0.0000000 0.3384534), wk = 0.0020661 k( 231) = ( 0.2300000 -0.0000000 0.3384534), wk = 0.0020661 k( 232) = ( 0.2400000 -0.0000000 0.3384534), wk = 0.0020661 k( 233) = ( 0.2500000 -0.0000000 0.3384534), wk = 0.0020661 k( 234) = ( 0.2600000 -0.0000000 0.3384534), wk = 0.0020661 k( 235) = ( 0.2700000 -0.0000000 0.3384534), wk = 0.0020661 k( 236) = ( 0.2800000 -0.0000000 0.3384534), wk = 0.0020661 k( 237) = ( 0.2900000 -0.0000000 0.3384534), wk = 0.0020661 k( 238) = ( 0.3000000 -0.0000000 0.3384534), wk = 0.0020661 k( 239) = ( 0.3100000 -0.0000000 0.3384534), wk = 0.0020661 k( 240) = ( 0.3200000 -0.0000000 0.3384534), wk = 0.0020661 k( 241) = ( 0.3300000 -0.0000000 0.3384534), wk = 0.0020661 k( 242) = ( 0.3400000 -0.0000000 0.3384534), wk = 0.0020661 k( 243) = ( 0.3500000 -0.0000000 0.3384534), wk = 0.0020661 k( 244) = ( 0.3600000 -0.0000000 0.3384534), wk = 0.0020661 k( 245) = ( 0.3700000 -0.0000000 0.3384534), wk = 0.0020661 k( 246) = ( 0.3800000 -0.0000000 0.3384534), wk = 0.0020661 k( 247) = ( 0.3900000 -0.0000000 0.3384534), wk = 0.0020661 k( 248) = ( 0.4000000 -0.0000000 0.3384534), wk = 0.0020661 k( 249) = ( 0.4100000 -0.0000000 0.3384534), wk = 0.0020661 k( 250) = ( 0.4200000 -0.0000000 0.3384534), wk = 0.0020661 k( 251) = ( 0.4300000 -0.0000000 0.3384534), wk = 0.0020661 k( 252) = ( 0.4400000 -0.0000000 0.3384534), wk = 0.0020661 k( 253) = ( 0.4500000 -0.0000000 0.3384534), wk = 0.0020661 k( 254) = ( 0.4600000 -0.0000000 0.3384534), wk = 0.0020661 k( 255) = ( 0.4700000 -0.0000000 0.3384534), wk = 0.0020661 k( 256) = ( 0.4800000 -0.0000000 0.3384534), wk = 0.0020661 k( 257) = ( 0.4900000 -0.0000000 0.3384534), wk = 0.0020661 k( 258) = ( 0.5000000 -0.0000000 0.3384534), wk = 0.0020661 k( 259) = ( 0.5000000 -0.0000000 0.3384534), wk = 0.0020661 k( 260) = ( 0.5000000 0.0099799 0.3384534), wk = 0.0020661 k( 261) = ( 0.5000000 0.0199598 0.3384534), wk = 0.0020661 k( 262) = ( 0.5000000 0.0299397 0.3384534), wk = 0.0020661 k( 263) = ( 0.5000000 0.0399195 0.3384534), wk = 0.0020661 k( 264) = ( 0.5000000 0.0498994 0.3384534), wk = 0.0020661 k( 265) = ( 0.5000000 0.0598793 0.3384534), wk = 0.0020661 k( 266) = ( 0.5000000 0.0698592 0.3384534), wk = 0.0020661 k( 267) = ( 0.5000000 0.0798391 0.3384534), wk = 0.0020661 k( 268) = ( 0.5000000 0.0898190 0.3384534), wk = 0.0020661 k( 269) = ( 0.5000000 0.0997988 0.3384534), wk = 0.0020661 k( 270) = ( 0.5000000 0.1097787 0.3384534), wk = 0.0020661 k( 271) = ( 0.5000000 0.1197586 0.3384534), wk = 0.0020661 k( 272) = ( 0.5000000 0.1297385 0.3384534), wk = 0.0020661 k( 273) = ( 0.5000000 0.1397184 0.3384534), wk = 0.0020661 k( 274) = ( 0.5000000 0.1496983 0.3384534), wk = 0.0020661 k( 275) = ( 0.5000000 0.1596781 0.3384534), wk = 0.0020661 k( 276) = ( 0.5000000 0.1696580 0.3384534), wk = 0.0020661 k( 277) = ( 0.5000000 0.1796379 0.3384534), wk = 0.0020661 k( 278) = ( 0.5000000 0.1896178 0.3384534), wk = 0.0020661 k( 279) = ( 0.5000000 0.1995977 0.3384534), wk = 0.0020661 k( 280) = ( 0.5000000 0.2095776 0.3384534), wk = 0.0020661 k( 281) = ( 0.5000000 0.2195574 0.3384534), wk = 0.0020661 k( 282) = ( 0.5000000 0.2295373 0.3384534), wk = 0.0020661 k( 283) = ( 0.5000000 0.2395172 0.3384534), wk = 0.0020661 k( 284) = ( 0.5000000 0.2494971 0.3384534), wk = 0.0020661 k( 285) = ( 0.5000000 0.2594770 0.3384534), wk = 0.0020661 k( 286) = ( 0.5000000 0.2694569 0.3384534), wk = 0.0020661 k( 287) = ( 0.5000000 0.2794368 0.3384534), wk = 0.0020661 k( 288) = ( 0.5000000 0.2894166 0.3384534), wk = 0.0020661 k( 289) = ( 0.5000000 0.2993965 0.3384534), wk = 0.0020661 k( 290) = ( 0.5000000 0.3093764 0.3384534), wk = 0.0020661 k( 291) = ( 0.5000000 0.3193563 0.3384534), wk = 0.0020661 k( 292) = ( 0.5000000 0.3293362 0.3384534), wk = 0.0020661 k( 293) = ( 0.5000000 0.3393161 0.3384534), wk = 0.0020661 k( 294) = ( 0.5000000 0.3393161 0.3384534), wk = 0.0020661 k( 295) = ( 0.4900000 0.3393161 0.3384534), wk = 0.0020661 k( 296) = ( 0.4800000 0.3393161 0.3384534), wk = 0.0020661 k( 297) = ( 0.4700000 0.3393161 0.3384534), wk = 0.0020661 k( 298) = ( 0.4600000 0.3393161 0.3384534), wk = 0.0020661 k( 299) = ( 0.4500000 0.3393161 0.3384534), wk = 0.0020661 k( 300) = ( 0.4400000 0.3393161 0.3384534), wk = 0.0020661 k( 301) = ( 0.4300000 0.3393161 0.3384534), wk = 0.0020661 k( 302) = ( 0.4200000 0.3393161 0.3384534), wk = 0.0020661 k( 303) = ( 0.4100000 0.3393161 0.3384534), wk = 0.0020661 k( 304) = ( 0.4000000 0.3393161 0.3384534), wk = 0.0020661 k( 305) = ( 0.3900000 0.3393161 0.3384534), wk = 0.0020661 k( 306) = ( 0.3800000 0.3393161 0.3384534), wk = 0.0020661 k( 307) = ( 0.3700000 0.3393161 0.3384534), wk = 0.0020661 k( 308) = ( 0.3600000 0.3393161 0.3384534), wk = 0.0020661 k( 309) = ( 0.3500000 0.3393161 0.3384534), wk = 0.0020661 k( 310) = ( 0.3400000 0.3393161 0.3384534), wk = 0.0020661 k( 311) = ( 0.3300000 0.3393161 0.3384534), wk = 0.0020661 k( 312) = ( 0.3200000 0.3393161 0.3384534), wk = 0.0020661 k( 313) = ( 0.3100000 0.3393161 0.3384534), wk = 0.0020661 k( 314) = ( 0.3000000 0.3393161 0.3384534), wk = 0.0020661 k( 315) = ( 0.2900000 0.3393161 0.3384534), wk = 0.0020661 k( 316) = ( 0.2800000 0.3393161 0.3384534), wk = 0.0020661 k( 317) = ( 0.2700000 0.3393161 0.3384534), wk = 0.0020661 k( 318) = ( 0.2600000 0.3393161 0.3384534), wk = 0.0020661 k( 319) = ( 0.2500000 0.3393161 0.3384534), wk = 0.0020661 k( 320) = ( 0.2400000 0.3393161 0.3384534), wk = 0.0020661 k( 321) = ( 0.2300000 0.3393161 0.3384534), wk = 0.0020661 k( 322) = ( 0.2200000 0.3393161 0.3384534), wk = 0.0020661 k( 323) = ( 0.2100000 0.3393161 0.3384534), wk = 0.0020661 k( 324) = ( 0.2000000 0.3393161 0.3384534), wk = 0.0020661 k( 325) = ( 0.1900000 0.3393161 0.3384534), wk = 0.0020661 k( 326) = ( 0.1800000 0.3393161 0.3384534), wk = 0.0020661 k( 327) = ( 0.1700000 0.3393161 0.3384534), wk = 0.0020661 k( 328) = ( 0.1600000 0.3393161 0.3384534), wk = 0.0020661 k( 329) = ( 0.1500000 0.3393161 0.3384534), wk = 0.0020661 k( 330) = ( 0.1400000 0.3393161 0.3384534), wk = 0.0020661 k( 331) = ( 0.1300000 0.3393161 0.3384534), wk = 0.0020661 k( 332) = ( 0.1200000 0.3393161 0.3384534), wk = 0.0020661 k( 333) = ( 0.1100000 0.3393161 0.3384534), wk = 0.0020661 k( 334) = ( 0.1000000 0.3393161 0.3384534), wk = 0.0020661 k( 335) = ( 0.0900000 0.3393161 0.3384534), wk = 0.0020661 k( 336) = ( 0.0800000 0.3393161 0.3384534), wk = 0.0020661 k( 337) = ( 0.0700000 0.3393161 0.3384534), wk = 0.0020661 k( 338) = ( 0.0600000 0.3393161 0.3384534), wk = 0.0020661 k( 339) = ( 0.0500000 0.3393161 0.3384534), wk = 0.0020661 k( 340) = ( 0.0400000 0.3393161 0.3384534), wk = 0.0020661 k( 341) = ( 0.0300000 0.3393161 0.3384534), wk = 0.0020661 k( 342) = ( 0.0200000 0.3393161 0.3384534), wk = 0.0020661 k( 343) = ( 0.0100000 0.3393161 0.3384534), wk = 0.0020661 k( 344) = ( 0.0000000 0.3393161 0.3384534), wk = 0.0020661 k( 345) = ( 0.0000000 0.3393161 0.3384534), wk = 0.0020661 k( 346) = ( 0.0000000 0.3293362 0.3384534), wk = 0.0020661 k( 347) = ( 0.0000000 0.3193563 0.3384534), wk = 0.0020661 k( 348) = ( 0.0000000 0.3093764 0.3384534), wk = 0.0020661 k( 349) = ( 0.0000000 0.2993965 0.3384534), wk = 0.0020661 k( 350) = ( 0.0000000 0.2894166 0.3384534), wk = 0.0020661 k( 351) = ( 0.0000000 0.2794368 0.3384534), wk = 0.0020661 k( 352) = ( 0.0000000 0.2694569 0.3384534), wk = 0.0020661 k( 353) = ( 0.0000000 0.2594770 0.3384534), wk = 0.0020661 k( 354) = ( 0.0000000 0.2494971 0.3384534), wk = 0.0020661 k( 355) = ( 0.0000000 0.2395172 0.3384534), wk = 0.0020661 k( 356) = ( 0.0000000 0.2295373 0.3384534), wk = 0.0020661 k( 357) = ( 0.0000000 0.2195574 0.3384534), wk = 0.0020661 k( 358) = ( 0.0000000 0.2095776 0.3384534), wk = 0.0020661 k( 359) = ( 0.0000000 0.1995977 0.3384534), wk = 0.0020661 k( 360) = ( 0.0000000 0.1896178 0.3384534), wk = 0.0020661 k( 361) = ( 0.0000000 0.1796379 0.3384534), wk = 0.0020661 k( 362) = ( 0.0000000 0.1696580 0.3384534), wk = 0.0020661 k( 363) = ( 0.0000000 0.1596781 0.3384534), wk = 0.0020661 k( 364) = ( 0.0000000 0.1496983 0.3384534), wk = 0.0020661 k( 365) = ( 0.0000000 0.1397184 0.3384534), wk = 0.0020661 k( 366) = ( 0.0000000 0.1297385 0.3384534), wk = 0.0020661 k( 367) = ( 0.0000000 0.1197586 0.3384534), wk = 0.0020661 k( 368) = ( 0.0000000 0.1097787 0.3384534), wk = 0.0020661 k( 369) = ( 0.0000000 0.0997988 0.3384534), wk = 0.0020661 k( 370) = ( 0.0000000 0.0898190 0.3384534), wk = 0.0020661 k( 371) = ( 0.0000000 0.0798391 0.3384534), wk = 0.0020661 k( 372) = ( 0.0000000 0.0698592 0.3384534), wk = 0.0020661 k( 373) = ( 0.0000000 0.0598793 0.3384534), wk = 0.0020661 k( 374) = ( 0.0000000 0.0498994 0.3384534), wk = 0.0020661 k( 375) = ( 0.0000000 0.0399195 0.3384534), wk = 0.0020661 k( 376) = ( 0.0000000 0.0299397 0.3384534), wk = 0.0020661 k( 377) = ( 0.0000000 0.0199598 0.3384534), wk = 0.0020661 k( 378) = ( 0.0000000 0.0099799 0.3384534), wk = 0.0020661 k( 379) = ( 0.0000000 0.0000000 0.3384534), wk = 0.0020661 k( 380) = ( 0.0000000 0.3393161 -0.0000000), wk = 0.0020661 k( 381) = ( 0.0000000 0.3393161 0.0099545), wk = 0.0020661 k( 382) = ( 0.0000000 0.3393161 0.0199090), wk = 0.0020661 k( 383) = ( 0.0000000 0.3393161 0.0298635), wk = 0.0020661 k( 384) = ( 0.0000000 0.3393161 0.0398180), wk = 0.0020661 k( 385) = ( 0.0000000 0.3393161 0.0497726), wk = 0.0020661 k( 386) = ( 0.0000000 0.3393161 0.0597271), wk = 0.0020661 k( 387) = ( 0.0000000 0.3393161 0.0696816), wk = 0.0020661 k( 388) = ( 0.0000000 0.3393161 0.0796361), wk = 0.0020661 k( 389) = ( 0.0000000 0.3393161 0.0895906), wk = 0.0020661 k( 390) = ( 0.0000000 0.3393161 0.0995451), wk = 0.0020661 k( 391) = ( 0.0000000 0.3393161 0.1094996), wk = 0.0020661 k( 392) = ( 0.0000000 0.3393161 0.1194541), wk = 0.0020661 k( 393) = ( 0.0000000 0.3393161 0.1294086), wk = 0.0020661 k( 394) = ( 0.0000000 0.3393161 0.1393632), wk = 0.0020661 k( 395) = ( 0.0000000 0.3393161 0.1493177), wk = 0.0020661 k( 396) = ( 0.0000000 0.3393161 0.1592722), wk = 0.0020661 k( 397) = ( 0.0000000 0.3393161 0.1692267), wk = 0.0020661 k( 398) = ( 0.0000000 0.3393161 0.1791812), wk = 0.0020661 k( 399) = ( 0.0000000 0.3393161 0.1891357), wk = 0.0020661 k( 400) = ( 0.0000000 0.3393161 0.1990902), wk = 0.0020661 k( 401) = ( 0.0000000 0.3393161 0.2090447), wk = 0.0020661 k( 402) = ( 0.0000000 0.3393161 0.2189993), wk = 0.0020661 k( 403) = ( 0.0000000 0.3393161 0.2289538), wk = 0.0020661 k( 404) = ( 0.0000000 0.3393161 0.2389083), wk = 0.0020661 k( 405) = ( 0.0000000 0.3393161 0.2488628), wk = 0.0020661 k( 406) = ( 0.0000000 0.3393161 0.2588173), wk = 0.0020661 k( 407) = ( 0.0000000 0.3393161 0.2687718), wk = 0.0020661 k( 408) = ( 0.0000000 0.3393161 0.2787263), wk = 0.0020661 k( 409) = ( 0.0000000 0.3393161 0.2886808), wk = 0.0020661 k( 410) = ( 0.0000000 0.3393161 0.2986353), wk = 0.0020661 k( 411) = ( 0.0000000 0.3393161 0.3085899), wk = 0.0020661 k( 412) = ( 0.0000000 0.3393161 0.3185444), wk = 0.0020661 k( 413) = ( 0.0000000 0.3393161 0.3284989), wk = 0.0020661 k( 414) = ( 0.0000000 0.3393161 0.3384534), wk = 0.0020661 k( 415) = ( 0.5000000 -0.0000000 0.3384534), wk = 0.0020661 k( 416) = ( 0.5000000 -0.0000000 0.3284989), wk = 0.0020661 k( 417) = ( 0.5000000 -0.0000000 0.3185444), wk = 0.0020661 k( 418) = ( 0.5000000 -0.0000000 0.3085899), wk = 0.0020661 k( 419) = ( 0.5000000 -0.0000000 0.2986353), wk = 0.0020661 k( 420) = ( 0.5000000 -0.0000000 0.2886808), wk = 0.0020661 k( 421) = ( 0.5000000 -0.0000000 0.2787263), wk = 0.0020661 k( 422) = ( 0.5000000 -0.0000000 0.2687718), wk = 0.0020661 k( 423) = ( 0.5000000 -0.0000000 0.2588173), wk = 0.0020661 k( 424) = ( 0.5000000 -0.0000000 0.2488628), wk = 0.0020661 k( 425) = ( 0.5000000 -0.0000000 0.2389083), wk = 0.0020661 k( 426) = ( 0.5000000 -0.0000000 0.2289538), wk = 0.0020661 k( 427) = ( 0.5000000 -0.0000000 0.2189993), wk = 0.0020661 k( 428) = ( 0.5000000 -0.0000000 0.2090447), wk = 0.0020661 k( 429) = ( 0.5000000 -0.0000000 0.1990902), wk = 0.0020661 k( 430) = ( 0.5000000 -0.0000000 0.1891357), wk = 0.0020661 k( 431) = ( 0.5000000 -0.0000000 0.1791812), wk = 0.0020661 k( 432) = ( 0.5000000 -0.0000000 0.1692267), wk = 0.0020661 k( 433) = ( 0.5000000 -0.0000000 0.1592722), wk = 0.0020661 k( 434) = ( 0.5000000 -0.0000000 0.1493177), wk = 0.0020661 k( 435) = ( 0.5000000 -0.0000000 0.1393632), wk = 0.0020661 k( 436) = ( 0.5000000 -0.0000000 0.1294086), wk = 0.0020661 k( 437) = ( 0.5000000 -0.0000000 0.1194541), wk = 0.0020661 k( 438) = ( 0.5000000 -0.0000000 0.1094996), wk = 0.0020661 k( 439) = ( 0.5000000 -0.0000000 0.0995451), wk = 0.0020661 k( 440) = ( 0.5000000 -0.0000000 0.0895906), wk = 0.0020661 k( 441) = ( 0.5000000 -0.0000000 0.0796361), wk = 0.0020661 k( 442) = ( 0.5000000 -0.0000000 0.0696816), wk = 0.0020661 k( 443) = ( 0.5000000 -0.0000000 0.0597271), wk = 0.0020661 k( 444) = ( 0.5000000 -0.0000000 0.0497726), wk = 0.0020661 k( 445) = ( 0.5000000 -0.0000000 0.0398180), wk = 0.0020661 k( 446) = ( 0.5000000 -0.0000000 0.0298635), wk = 0.0020661 k( 447) = ( 0.5000000 -0.0000000 0.0199090), wk = 0.0020661 k( 448) = ( 0.5000000 -0.0000000 0.0099545), wk = 0.0020661 k( 449) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 450) = ( 0.5000000 0.3393161 -0.0000000), wk = 0.0020661 k( 451) = ( 0.5000000 0.3393161 0.0099545), wk = 0.0020661 k( 452) = ( 0.5000000 0.3393161 0.0199090), wk = 0.0020661 k( 453) = ( 0.5000000 0.3393161 0.0298635), wk = 0.0020661 k( 454) = ( 0.5000000 0.3393161 0.0398180), wk = 0.0020661 k( 455) = ( 0.5000000 0.3393161 0.0497726), wk = 0.0020661 k( 456) = ( 0.5000000 0.3393161 0.0597271), wk = 0.0020661 k( 457) = ( 0.5000000 0.3393161 0.0696816), wk = 0.0020661 k( 458) = ( 0.5000000 0.3393161 0.0796361), wk = 0.0020661 k( 459) = ( 0.5000000 0.3393161 0.0895906), wk = 0.0020661 k( 460) = ( 0.5000000 0.3393161 0.0995451), wk = 0.0020661 k( 461) = ( 0.5000000 0.3393161 0.1094996), wk = 0.0020661 k( 462) = ( 0.5000000 0.3393161 0.1194541), wk = 0.0020661 k( 463) = ( 0.5000000 0.3393161 0.1294086), wk = 0.0020661 k( 464) = ( 0.5000000 0.3393161 0.1393632), wk = 0.0020661 k( 465) = ( 0.5000000 0.3393161 0.1493177), wk = 0.0020661 k( 466) = ( 0.5000000 0.3393161 0.1592722), wk = 0.0020661 k( 467) = ( 0.5000000 0.3393161 0.1692267), wk = 0.0020661 k( 468) = ( 0.5000000 0.3393161 0.1791812), wk = 0.0020661 k( 469) = ( 0.5000000 0.3393161 0.1891357), wk = 0.0020661 k( 470) = ( 0.5000000 0.3393161 0.1990902), wk = 0.0020661 k( 471) = ( 0.5000000 0.3393161 0.2090447), wk = 0.0020661 k( 472) = ( 0.5000000 0.3393161 0.2189993), wk = 0.0020661 k( 473) = ( 0.5000000 0.3393161 0.2289538), wk = 0.0020661 k( 474) = ( 0.5000000 0.3393161 0.2389083), wk = 0.0020661 k( 475) = ( 0.5000000 0.3393161 0.2488628), wk = 0.0020661 k( 476) = ( 0.5000000 0.3393161 0.2588173), wk = 0.0020661 k( 477) = ( 0.5000000 0.3393161 0.2687718), wk = 0.0020661 k( 478) = ( 0.5000000 0.3393161 0.2787263), wk = 0.0020661 k( 479) = ( 0.5000000 0.3393161 0.2886808), wk = 0.0020661 k( 480) = ( 0.5000000 0.3393161 0.2986353), wk = 0.0020661 k( 481) = ( 0.5000000 0.3393161 0.3085899), wk = 0.0020661 k( 482) = ( 0.5000000 0.3393161 0.3185444), wk = 0.0020661 k( 483) = ( 0.5000000 0.3393161 0.3284989), wk = 0.0020661 k( 484) = ( 0.5000000 0.3393161 0.3384534), wk = 0.0020661 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0020661 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0020661 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0020661 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0020661 k( 6) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0020661 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0020661 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0020661 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0020661 k( 10) = ( 0.0900000 0.0000000 0.0000000), wk = 0.0020661 k( 11) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0020661 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0020661 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0020661 k( 14) = ( 0.1300000 0.0000000 -0.0000000), wk = 0.0020661 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0020661 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0020661 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0020661 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0020661 k( 19) = ( 0.1800000 0.0000000 0.0000000), wk = 0.0020661 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0020661 k( 21) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0020661 k( 22) = ( 0.2100000 0.0000000 -0.0000000), wk = 0.0020661 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0020661 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0020661 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0020661 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0020661 k( 27) = ( 0.2600000 0.0000000 -0.0000000), wk = 0.0020661 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0020661 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0020661 k( 30) = ( 0.2900000 0.0000000 0.0000000), wk = 0.0020661 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0020661 k( 32) = ( 0.3100000 0.0000000 0.0000000), wk = 0.0020661 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0020661 k( 34) = ( 0.3300000 0.0000000 -0.0000000), wk = 0.0020661 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0020661 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0020661 k( 37) = ( 0.3600000 0.0000000 0.0000000), wk = 0.0020661 k( 38) = ( 0.3700000 0.0000000 -0.0000000), wk = 0.0020661 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0020661 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0020661 k( 41) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0020661 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0020661 k( 43) = ( 0.4200000 0.0000000 -0.0000000), wk = 0.0020661 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0020661 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0020661 k( 46) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0020661 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0020661 k( 48) = ( 0.4700000 0.0000000 -0.0000000), wk = 0.0020661 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0020661 k( 50) = ( 0.4900000 0.0000000 -0.0000000), wk = 0.0020661 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 53) = ( 0.5000000 0.0147059 0.0000000), wk = 0.0020661 k( 54) = ( 0.5000000 0.0294118 0.0000000), wk = 0.0020661 k( 55) = ( 0.5000000 0.0441177 0.0000000), wk = 0.0020661 k( 56) = ( 0.5000000 0.0588235 0.0000000), wk = 0.0020661 k( 57) = ( 0.5000000 0.0735294 0.0000000), wk = 0.0020661 k( 58) = ( 0.5000000 0.0882353 0.0000000), wk = 0.0020661 k( 59) = ( 0.5000000 0.1029412 0.0000000), wk = 0.0020661 k( 60) = ( 0.5000000 0.1176471 0.0000000), wk = 0.0020661 k( 61) = ( 0.5000000 0.1323529 0.0000000), wk = 0.0020661 k( 62) = ( 0.5000000 0.1470588 0.0000000), wk = 0.0020661 k( 63) = ( 0.5000000 0.1617647 0.0000000), wk = 0.0020661 k( 64) = ( 0.5000000 0.1764706 0.0000000), wk = 0.0020661 k( 65) = ( 0.5000000 0.1911765 0.0000000), wk = 0.0020661 k( 66) = ( 0.5000000 0.2058823 -0.0000000), wk = 0.0020661 k( 67) = ( 0.5000000 0.2205882 0.0000000), wk = 0.0020661 k( 68) = ( 0.5000000 0.2352941 0.0000000), wk = 0.0020661 k( 69) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0020661 k( 70) = ( 0.5000000 0.2647059 -0.0000000), wk = 0.0020661 k( 71) = ( 0.5000000 0.2794118 -0.0000000), wk = 0.0020661 k( 72) = ( 0.5000000 0.2941176 -0.0000000), wk = 0.0020661 k( 73) = ( 0.5000000 0.3088235 -0.0000000), wk = 0.0020661 k( 74) = ( 0.5000000 0.3235294 0.0000000), wk = 0.0020661 k( 75) = ( 0.5000000 0.3382353 0.0000000), wk = 0.0020661 k( 76) = ( 0.5000000 0.3529412 -0.0000000), wk = 0.0020661 k( 77) = ( 0.5000000 0.3676471 0.0000000), wk = 0.0020661 k( 78) = ( 0.5000000 0.3823529 0.0000000), wk = 0.0020661 k( 79) = ( 0.5000000 0.3970588 0.0000000), wk = 0.0020661 k( 80) = ( 0.5000000 0.4117647 0.0000000), wk = 0.0020661 k( 81) = ( 0.5000000 0.4264706 0.0000000), wk = 0.0020661 k( 82) = ( 0.5000000 0.4411765 0.0000000), wk = 0.0020661 k( 83) = ( 0.5000000 0.4558823 0.0000000), wk = 0.0020661 k( 84) = ( 0.5000000 0.4705882 0.0000000), wk = 0.0020661 k( 85) = ( 0.5000000 0.4852941 0.0000000), wk = 0.0020661 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 88) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0020661 k( 89) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0020661 k( 90) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0020661 k( 91) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0020661 k( 92) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0020661 k( 93) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0020661 k( 94) = ( 0.4300000 0.5000000 0.0000000), wk = 0.0020661 k( 95) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0020661 k( 96) = ( 0.4100000 0.5000000 0.0000000), wk = 0.0020661 k( 97) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0020661 k( 98) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0020661 k( 99) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0020661 k( 100) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0020661 k( 101) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0020661 k( 102) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0020661 k( 103) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0020661 k( 104) = ( 0.3300000 0.5000000 -0.0000000), wk = 0.0020661 k( 105) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0020661 k( 106) = ( 0.3100000 0.5000000 0.0000000), wk = 0.0020661 k( 107) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0020661 k( 108) = ( 0.2900000 0.5000000 0.0000000), wk = 0.0020661 k( 109) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0020661 k( 110) = ( 0.2700000 0.5000000 -0.0000000), wk = 0.0020661 k( 111) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0020661 k( 112) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0020661 k( 113) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0020661 k( 114) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0020661 k( 115) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0020661 k( 116) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0020661 k( 117) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0020661 k( 118) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0020661 k( 119) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0020661 k( 120) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0020661 k( 121) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0020661 k( 122) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0020661 k( 123) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0020661 k( 124) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0020661 k( 125) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0020661 k( 126) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0020661 k( 127) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0020661 k( 128) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0020661 k( 129) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0020661 k( 130) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0020661 k( 131) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0020661 k( 132) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0020661 k( 133) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0020661 k( 134) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0020661 k( 135) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0020661 k( 136) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0020661 k( 137) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 138) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 139) = ( 0.0000000 0.4852941 0.0000000), wk = 0.0020661 k( 140) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0020661 k( 141) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0020661 k( 142) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0020661 k( 143) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0020661 k( 144) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0020661 k( 145) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0020661 k( 146) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0020661 k( 147) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0020661 k( 148) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0020661 k( 149) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0020661 k( 150) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0020661 k( 151) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0020661 k( 152) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0020661 k( 153) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0020661 k( 154) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0020661 k( 155) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0020661 k( 156) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0020661 k( 157) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0020661 k( 158) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0020661 k( 159) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0020661 k( 160) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0020661 k( 161) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0020661 k( 162) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0020661 k( 163) = ( 0.0000000 0.1323529 0.0000000), wk = 0.0020661 k( 164) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0020661 k( 165) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0020661 k( 166) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0020661 k( 167) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0020661 k( 168) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0020661 k( 169) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0020661 k( 170) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0020661 k( 171) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0020661 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 174) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0020661 k( 175) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0020661 k( 176) = ( 0.0000000 0.0000000 0.0441176), wk = 0.0020661 k( 177) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0020661 k( 178) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0020661 k( 179) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0020661 k( 180) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0020661 k( 181) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0020661 k( 182) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0020661 k( 183) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0020661 k( 184) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0020661 k( 185) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0020661 k( 186) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0020661 k( 187) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0020661 k( 188) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0020661 k( 189) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.2941176), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 209) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0020661 k( 210) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0020661 k( 211) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0020661 k( 212) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0020661 k( 213) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0020661 k( 214) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0020661 k( 215) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0020661 k( 216) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0020661 k( 217) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0020661 k( 218) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0020661 k( 219) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0020661 k( 220) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0020661 k( 221) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0020661 k( 222) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0020661 k( 223) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0020661 k( 224) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0020661 k( 225) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0020661 k( 226) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0020661 k( 227) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0020661 k( 228) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0020661 k( 229) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0020661 k( 230) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0020661 k( 231) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0020661 k( 232) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0020661 k( 233) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020661 k( 234) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0020661 k( 235) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0020661 k( 236) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0020661 k( 237) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0020661 k( 238) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0020661 k( 239) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0020661 k( 240) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0020661 k( 241) = ( 0.3300000 0.0000000 0.5000000), wk = 0.0020661 k( 242) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0020661 k( 243) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0020661 k( 244) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0020661 k( 245) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0020661 k( 246) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0020661 k( 247) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0020661 k( 248) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0020661 k( 249) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0020661 k( 250) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0020661 k( 251) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0020661 k( 252) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0020661 k( 253) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0020661 k( 254) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0020661 k( 255) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0020661 k( 256) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0020661 k( 257) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0020661 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 259) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 260) = ( 0.5000000 0.0147059 0.5000000), wk = 0.0020661 k( 261) = ( 0.5000000 0.0294118 0.5000000), wk = 0.0020661 k( 262) = ( 0.5000000 0.0441177 0.5000000), wk = 0.0020661 k( 263) = ( 0.5000000 0.0588235 0.5000000), wk = 0.0020661 k( 264) = ( 0.5000000 0.0735294 0.5000000), wk = 0.0020661 k( 265) = ( 0.5000000 0.0882353 0.5000000), wk = 0.0020661 k( 266) = ( 0.5000000 0.1029412 0.5000000), wk = 0.0020661 k( 267) = ( 0.5000000 0.1176471 0.5000000), wk = 0.0020661 k( 268) = ( 0.5000000 0.1323529 0.5000000), wk = 0.0020661 k( 269) = ( 0.5000000 0.1470588 0.5000000), wk = 0.0020661 k( 270) = ( 0.5000000 0.1617647 0.5000000), wk = 0.0020661 k( 271) = ( 0.5000000 0.1764706 0.5000000), wk = 0.0020661 k( 272) = ( 0.5000000 0.1911765 0.5000000), wk = 0.0020661 k( 273) = ( 0.5000000 0.2058823 0.5000000), wk = 0.0020661 k( 274) = ( 0.5000000 0.2205882 0.5000000), wk = 0.0020661 k( 275) = ( 0.5000000 0.2352941 0.5000000), wk = 0.0020661 k( 276) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0020661 k( 277) = ( 0.5000000 0.2647059 0.5000000), wk = 0.0020661 k( 278) = ( 0.5000000 0.2794118 0.5000000), wk = 0.0020661 k( 279) = ( 0.5000000 0.2941176 0.5000000), wk = 0.0020661 k( 280) = ( 0.5000000 0.3088235 0.5000000), wk = 0.0020661 k( 281) = ( 0.5000000 0.3235294 0.5000000), wk = 0.0020661 k( 282) = ( 0.5000000 0.3382353 0.5000000), wk = 0.0020661 k( 283) = ( 0.5000000 0.3529412 0.5000000), wk = 0.0020661 k( 284) = ( 0.5000000 0.3676471 0.5000000), wk = 0.0020661 k( 285) = ( 0.5000000 0.3823529 0.5000000), wk = 0.0020661 k( 286) = ( 0.5000000 0.3970588 0.5000000), wk = 0.0020661 k( 287) = ( 0.5000000 0.4117647 0.5000000), wk = 0.0020661 k( 288) = ( 0.5000000 0.4264706 0.5000000), wk = 0.0020661 k( 289) = ( 0.5000000 0.4411765 0.5000000), wk = 0.0020661 k( 290) = ( 0.5000000 0.4558823 0.5000000), wk = 0.0020661 k( 291) = ( 0.5000000 0.4705882 0.5000000), wk = 0.0020661 k( 292) = ( 0.5000000 0.4852941 0.5000000), wk = 0.0020661 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 295) = ( 0.4900000 0.5000000 0.5000000), wk = 0.0020661 k( 296) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0020661 k( 297) = ( 0.4700000 0.5000000 0.5000000), wk = 0.0020661 k( 298) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0020661 k( 299) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0020661 k( 300) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0020661 k( 301) = ( 0.4300000 0.5000000 0.5000000), wk = 0.0020661 k( 302) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0020661 k( 303) = ( 0.4100000 0.5000000 0.5000000), wk = 0.0020661 k( 304) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0020661 k( 305) = ( 0.3900000 0.5000000 0.5000000), wk = 0.0020661 k( 306) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0020661 k( 307) = ( 0.3700000 0.5000000 0.5000000), wk = 0.0020661 k( 308) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0020661 k( 309) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0020661 k( 310) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0020661 k( 311) = ( 0.3300000 0.5000000 0.5000000), wk = 0.0020661 k( 312) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0020661 k( 313) = ( 0.3100000 0.5000000 0.5000000), wk = 0.0020661 k( 314) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0020661 k( 315) = ( 0.2900000 0.5000000 0.5000000), wk = 0.0020661 k( 316) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0020661 k( 317) = ( 0.2700000 0.5000000 0.5000000), wk = 0.0020661 k( 318) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0020661 k( 319) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0020661 k( 320) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0020661 k( 321) = ( 0.2300000 0.5000000 0.5000000), wk = 0.0020661 k( 322) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0020661 k( 323) = ( 0.2100000 0.5000000 0.5000000), wk = 0.0020661 k( 324) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0020661 k( 325) = ( 0.1900000 0.5000000 0.5000000), wk = 0.0020661 k( 326) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0020661 k( 327) = ( 0.1700000 0.5000000 0.5000000), wk = 0.0020661 k( 328) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0020661 k( 329) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0020661 k( 330) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0020661 k( 331) = ( 0.1300000 0.5000000 0.5000000), wk = 0.0020661 k( 332) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0020661 k( 333) = ( 0.1100000 0.5000000 0.5000000), wk = 0.0020661 k( 334) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0020661 k( 335) = ( 0.0900000 0.5000000 0.5000000), wk = 0.0020661 k( 336) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0020661 k( 337) = ( 0.0700000 0.5000000 0.5000000), wk = 0.0020661 k( 338) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0020661 k( 339) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0020661 k( 340) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0020661 k( 341) = ( 0.0300000 0.5000000 0.5000000), wk = 0.0020661 k( 342) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0020661 k( 343) = ( 0.0100000 0.5000000 0.5000000), wk = 0.0020661 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 345) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 346) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0020661 k( 347) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0020661 k( 348) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0020661 k( 349) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0020661 k( 350) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0020661 k( 351) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0020661 k( 352) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0020661 k( 353) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0020661 k( 354) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0020661 k( 355) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0020661 k( 356) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0020661 k( 357) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0020661 k( 358) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0020661 k( 359) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0020661 k( 360) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0020661 k( 361) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0020661 k( 362) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0020661 k( 363) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0020661 k( 364) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0020661 k( 365) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0020661 k( 366) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0020661 k( 367) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0020661 k( 368) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0020661 k( 369) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0020661 k( 370) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0020661 k( 371) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0020661 k( 372) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0020661 k( 373) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0020661 k( 374) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0020661 k( 375) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0020661 k( 376) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0020661 k( 377) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0020661 k( 378) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0020661 k( 379) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 380) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 381) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0020661 k( 382) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0020661 k( 383) = ( 0.0000000 0.5000000 0.0441176), wk = 0.0020661 k( 384) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0020661 k( 385) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0020661 k( 386) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0020661 k( 387) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0020661 k( 388) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0020661 k( 389) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0020661 k( 390) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0020661 k( 391) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0020661 k( 392) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0020661 k( 393) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0020661 k( 394) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0020661 k( 395) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0020661 k( 396) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0020661 k( 397) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020661 k( 398) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0020661 k( 399) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0020661 k( 400) = ( 0.0000000 0.5000000 0.2941176), wk = 0.0020661 k( 401) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0020661 k( 402) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0020661 k( 403) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0020661 k( 404) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0020661 k( 405) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0020661 k( 406) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0020661 k( 407) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0020661 k( 408) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0020661 k( 409) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0020661 k( 410) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0020661 k( 411) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0020661 k( 412) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0020661 k( 413) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0020661 k( 414) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 415) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 416) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0020661 k( 417) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0020661 k( 418) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0020661 k( 419) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0020661 k( 420) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0020661 k( 421) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0020661 k( 422) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0020661 k( 423) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0020661 k( 424) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0020661 k( 425) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0020661 k( 426) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0020661 k( 427) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0020661 k( 428) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0020661 k( 429) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0020661 k( 430) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0020661 k( 431) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0020661 k( 432) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020661 k( 433) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0020661 k( 434) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0020661 k( 435) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0020661 k( 436) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0020661 k( 437) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0020661 k( 438) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0020661 k( 439) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0020661 k( 440) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0020661 k( 441) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0020661 k( 442) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0020661 k( 443) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0020661 k( 444) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0020661 k( 445) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0020661 k( 446) = ( 0.5000000 0.0000000 0.0441176), wk = 0.0020661 k( 447) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0020661 k( 448) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0020661 k( 449) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 450) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 451) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0020661 k( 452) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0020661 k( 453) = ( 0.5000000 0.5000000 0.0441176), wk = 0.0020661 k( 454) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0020661 k( 455) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0020661 k( 456) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0020661 k( 457) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0020661 k( 458) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0020661 k( 459) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0020661 k( 460) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0020661 k( 461) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0020661 k( 462) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0020661 k( 463) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0020661 k( 464) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0020661 k( 465) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0020661 k( 466) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0020661 k( 467) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0020661 k( 468) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0020661 k( 469) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0020661 k( 470) = ( 0.5000000 0.5000000 0.2941176), wk = 0.0020661 k( 471) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0020661 k( 472) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0020661 k( 473) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0020661 k( 474) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0020661 k( 475) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0020661 k( 476) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0020661 k( 477) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0020661 k( 478) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0020661 k( 479) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0020661 k( 480) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0020661 k( 481) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0020661 k( 482) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0020661 k( 483) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0020661 k( 484) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 Dense grid: 47135 G-vectors FFT dimensions: ( 36, 54, 54) Smooth grid: 21543 G-vectors FFT dimensions: ( 27, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 184, 62) NL pseudopotentials 0.17 Mb ( 92, 124) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1473) G-vector shells 0.01 Mb ( 758) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 184, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.23 Mb ( 124, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SnO2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.5 secs Computing kpt #: 3 total cpu time spent up to now is 8.0 secs Computing kpt #: 4 total cpu time spent up to now is 9.2 secs Computing kpt #: 5 total cpu time spent up to now is 10.4 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.5 secs Computing kpt #: 8 total cpu time spent up to now is 13.5 secs Computing kpt #: 9 total cpu time spent up to now is 14.4 secs Computing kpt #: 10 total cpu time spent up to now is 15.4 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.2 secs Computing kpt #: 13 total cpu time spent up to now is 18.1 secs Computing kpt #: 14 total cpu time spent up to now is 19.0 secs Computing kpt #: 15 total cpu time spent up to now is 19.9 secs Computing kpt #: 16 total cpu time spent up to now is 20.8 secs Computing kpt #: 17 total cpu time spent up to now is 21.7 secs Computing kpt #: 18 total cpu time spent up to now is 22.5 secs Computing kpt #: 19 total cpu time spent up to now is 23.4 secs Computing kpt #: 20 total cpu time spent up to now is 24.3 secs Computing kpt #: 21 total cpu time spent up to now is 25.1 secs Computing kpt #: 22 total cpu time spent up to now is 26.0 secs Computing kpt #: 23 total cpu time spent up to now is 26.9 secs Computing kpt #: 24 total cpu time spent up to now is 27.7 secs Computing kpt #: 25 total cpu time spent up to now is 28.6 secs Computing kpt #: 26 total cpu time spent up to now is 29.4 secs Computing kpt #: 27 total cpu time spent up to now is 30.3 secs Computing kpt #: 28 total cpu time spent up to now is 31.1 secs Computing kpt #: 29 total cpu time spent up to now is 32.0 secs Computing kpt #: 30 total cpu time spent up to now is 32.8 secs Computing kpt #: 31 total cpu time spent up to now is 33.7 secs Computing kpt #: 32 total cpu time spent up to now is 34.6 secs Computing kpt #: 33 total cpu time spent up to now is 35.4 secs Computing kpt #: 34 total cpu time spent up to now is 36.3 secs Computing kpt #: 35 total cpu time spent up to now is 37.2 secs Computing kpt #: 36 total cpu time spent up to now is 38.1 secs Computing kpt #: 37 total cpu time spent up to now is 39.0 secs Computing kpt #: 38 total cpu time spent up to now is 40.0 secs Computing kpt #: 39 total cpu time spent up to now is 40.9 secs Computing kpt #: 40 total cpu time spent up to now is 41.9 secs Computing kpt #: 41 total cpu time spent up to now is 42.8 secs Computing kpt #: 42 total cpu time spent up to now is 43.8 secs Computing kpt #: 43 total cpu time spent up to now is 45.0 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.2 secs Computing kpt #: 45 total cpu time spent up to now is 48.8 secs Computing kpt #: 46 total cpu time spent up to now is 50.1 secs Computing kpt #: 47 total cpu time spent up to now is 51.6 secs Computing kpt #: 48 total cpu time spent up to now is 52.9 secs Computing kpt #: 49 total cpu time spent up to now is 54.7 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.9 secs Computing kpt #: 51 total cpu time spent up to now is 57.9 secs Computing kpt #: 52 total cpu time spent up to now is 58.9 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.2 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.5 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.7 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.8 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.9 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.2 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.4 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.5 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.6 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.7 secs Computing kpt #: 63 total cpu time spent up to now is 82.2 secs Computing kpt #: 64 total cpu time spent up to now is 83.9 secs Computing kpt #: 65 total cpu time spent up to now is 85.4 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.5 secs Computing kpt #: 67 total cpu time spent up to now is 89.1 secs Computing kpt #: 68 total cpu time spent up to now is 90.6 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.7 secs Computing kpt #: 70 total cpu time spent up to now is 94.6 secs Computing kpt #: 71 total cpu time spent up to now is 96.7 secs Computing kpt #: 72 total cpu time spent up to now is 98.7 secs Computing kpt #: 73 total cpu time spent up to now is 100.2 secs Computing kpt #: 74 total cpu time spent up to now is 101.9 secs Computing kpt #: 75 total cpu time spent up to now is 103.5 secs Computing kpt #: 76 total cpu time spent up to now is 105.1 secs Computing kpt #: 77 total cpu time spent up to now is 106.6 secs Computing kpt #: 78 total cpu time spent up to now is 108.1 secs Computing kpt #: 79 total cpu time spent up to now is 109.6 secs Computing kpt #: 80 total cpu time spent up to now is 111.6 secs Computing kpt #: 81 total cpu time spent up to now is 113.1 secs Computing kpt #: 82 total cpu time spent up to now is 114.6 secs Computing kpt #: 83 total cpu time spent up to now is 116.0 secs Computing kpt #: 84 total cpu time spent up to now is 117.6 secs Computing kpt #: 85 total cpu time spent up to now is 119.0 secs Computing kpt #: 86 total cpu time spent up to now is 120.5 secs Computing kpt #: 87 total cpu time spent up to now is 122.1 secs Computing kpt #: 88 total cpu time spent up to now is 123.8 secs Computing kpt #: 89 total cpu time spent up to now is 125.3 secs Computing kpt #: 90 total cpu time spent up to now is 126.8 secs Computing kpt #: 91 total cpu time spent up to now is 128.2 secs Computing kpt #: 92 total cpu time spent up to now is 129.8 secs Computing kpt #: 93 total cpu time spent up to now is 131.2 secs Computing kpt #: 94 total cpu time spent up to now is 132.7 secs Computing kpt #: 95 total cpu time spent up to now is 134.2 secs Computing kpt #: 96 total cpu time spent up to now is 135.7 secs Computing kpt #: 97 total cpu time spent up to now is 137.2 secs Computing kpt #: 98 total cpu time spent up to now is 138.9 secs Computing kpt #: 99 total cpu time spent up to now is 140.4 secs Computing kpt #: 100 total cpu time spent up to now is 141.9 secs Computing kpt #: 101 total cpu time spent up to now is 143.4 secs Computing kpt #: 102 total cpu time spent up to now is 144.6 secs Computing kpt #: 103 total cpu time spent up to now is 146.0 secs Computing kpt #: 104 total cpu time spent up to now is 147.0 secs Computing kpt #: 105 total cpu time spent up to now is 148.2 secs Computing kpt #: 106 total cpu time spent up to now is 149.2 secs Computing kpt #: 107 total cpu time spent up to now is 150.2 secs Computing kpt #: 108 total cpu time spent up to now is 151.2 secs Computing kpt #: 109 total cpu time spent up to now is 152.2 secs Computing kpt #: 110 total cpu time spent up to now is 153.1 secs Computing kpt #: 111 total cpu time spent up to now is 154.1 secs Computing kpt #: 112 total cpu time spent up to now is 155.0 secs Computing kpt #: 113 total cpu time spent up to now is 156.0 secs Computing kpt #: 114 total cpu time spent up to now is 156.9 secs Computing kpt #: 115 total cpu time spent up to now is 157.8 secs Computing kpt #: 116 total cpu time spent up to now is 158.7 secs Computing kpt #: 117 total cpu time spent up to now is 159.7 secs Computing kpt #: 118 total cpu time spent up to now is 160.6 secs Computing kpt #: 119 total cpu time spent up to now is 161.6 secs Computing kpt #: 120 total cpu time spent up to now is 162.5 secs Computing kpt #: 121 total cpu time spent up to now is 163.5 secs Computing kpt #: 122 total cpu time spent up to now is 164.4 secs Computing kpt #: 123 total cpu time spent up to now is 165.4 secs Computing kpt #: 124 total cpu time spent up to now is 166.4 secs Computing kpt #: 125 total cpu time spent up to now is 167.4 secs Computing kpt #: 126 total cpu time spent up to now is 168.4 secs Computing kpt #: 127 total cpu time spent up to now is 169.3 secs Computing kpt #: 128 total cpu time spent up to now is 170.5 secs Computing kpt #: 129 total cpu time spent up to now is 171.5 secs Computing kpt #: 130 total cpu time spent up to now is 172.9 secs Computing kpt #: 131 total cpu time spent up to now is 174.2 secs Computing kpt #: 132 total cpu time spent up to now is 175.6 secs Computing kpt #: 133 total cpu time spent up to now is 178.8 secs Computing kpt #: 134 total cpu time spent up to now is 181.3 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.3 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.4 secs Computing kpt #: 137 total cpu time spent up to now is 186.3 secs Computing kpt #: 138 total cpu time spent up to now is 187.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.4 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.6 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.7 secs Computing kpt #: 143 total cpu time spent up to now is 197.3 secs Computing kpt #: 144 total cpu time spent up to now is 199.4 secs Computing kpt #: 145 total cpu time spent up to now is 201.3 secs Computing kpt #: 146 total cpu time spent up to now is 203.1 secs Computing kpt #: 147 total cpu time spent up to now is 204.7 secs Computing kpt #: 148 total cpu time spent up to now is 206.3 secs Computing kpt #: 149 total cpu time spent up to now is 207.8 secs Computing kpt #: 150 total cpu time spent up to now is 209.4 secs Computing kpt #: 151 total cpu time spent up to now is 210.9 secs Computing kpt #: 152 total cpu time spent up to now is 212.7 secs Computing kpt #: 153 total cpu time spent up to now is 214.6 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.7 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.8 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.9 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.1 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.1 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 227.2 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.3 secs Computing kpt #: 161 total cpu time spent up to now is 231.3 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.4 secs Computing kpt #: 163 total cpu time spent up to now is 235.4 secs Computing kpt #: 164 total cpu time spent up to now is 237.4 secs Computing kpt #: 165 total cpu time spent up to now is 239.4 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.4 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.4 secs Computing kpt #: 168 total cpu time spent up to now is 245.2 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.2 secs Computing kpt #: 170 total cpu time spent up to now is 248.9 secs Computing kpt #: 171 total cpu time spent up to now is 250.2 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 252.2 secs Computing kpt #: 173 total cpu time spent up to now is 253.9 secs Computing kpt #: 174 total cpu time spent up to now is 255.2 secs Computing kpt #: 175 total cpu time spent up to now is 256.8 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.8 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.9 secs Computing kpt #: 178 total cpu time spent up to now is 262.6 secs Computing kpt #: 179 total cpu time spent up to now is 264.5 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.5 secs Computing kpt #: 181 total cpu time spent up to now is 268.2 secs Computing kpt #: 182 total cpu time spent up to now is 270.3 secs Computing kpt #: 183 total cpu time spent up to now is 272.0 secs Computing kpt #: 184 total cpu time spent up to now is 273.7 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.8 secs Computing kpt #: 186 total cpu time spent up to now is 277.6 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.7 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.8 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.9 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.0 secs Computing kpt #: 191 total cpu time spent up to now is 288.1 secs Computing kpt #: 192 total cpu time spent up to now is 290.1 secs Computing kpt #: 193 total cpu time spent up to now is 292.0 secs Computing kpt #: 194 total cpu time spent up to now is 293.6 secs Computing kpt #: 195 total cpu time spent up to now is 295.2 secs Computing kpt #: 196 total cpu time spent up to now is 296.7 secs Computing kpt #: 197 total cpu time spent up to now is 298.4 secs Computing kpt #: 198 total cpu time spent up to now is 299.9 secs Computing kpt #: 199 total cpu time spent up to now is 301.9 secs Computing kpt #: 200 total cpu time spent up to now is 303.8 secs Computing kpt #: 201 total cpu time spent up to now is 305.4 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.5 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.6 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.7 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 313.8 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.0 secs Computing kpt #: 207 total cpu time spent up to now is 316.9 secs Computing kpt #: 208 total cpu time spent up to now is 317.8 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.9 secs Computing kpt #: 210 total cpu time spent up to now is 321.9 secs Computing kpt #: 211 total cpu time spent up to now is 323.9 secs Computing kpt #: 212 total cpu time spent up to now is 325.5 secs Computing kpt #: 213 total cpu time spent up to now is 326.9 secs Computing kpt #: 214 total cpu time spent up to now is 328.2 secs Computing kpt #: 215 total cpu time spent up to now is 329.4 secs Computing kpt #: 216 total cpu time spent up to now is 330.8 secs Computing kpt #: 217 total cpu time spent up to now is 332.0 secs Computing kpt #: 218 total cpu time spent up to now is 333.0 secs Computing kpt #: 219 total cpu time spent up to now is 334.1 secs Computing kpt #: 220 total cpu time spent up to now is 335.0 secs Computing kpt #: 221 total cpu time spent up to now is 336.0 secs Computing kpt #: 222 total cpu time spent up to now is 336.9 secs Computing kpt #: 223 total cpu time spent up to now is 337.9 secs Computing kpt #: 224 total cpu time spent up to now is 338.9 secs Computing kpt #: 225 total cpu time spent up to now is 339.8 secs Computing kpt #: 226 total cpu time spent up to now is 340.8 secs Computing kpt #: 227 total cpu time spent up to now is 341.7 secs Computing kpt #: 228 total cpu time spent up to now is 342.7 secs Computing kpt #: 229 total cpu time spent up to now is 343.6 secs Computing kpt #: 230 total cpu time spent up to now is 344.5 secs Computing kpt #: 231 total cpu time spent up to now is 345.5 secs Computing kpt #: 232 total cpu time spent up to now is 346.4 secs Computing kpt #: 233 total cpu time spent up to now is 347.3 secs Computing kpt #: 234 total cpu time spent up to now is 348.3 secs Computing kpt #: 235 total cpu time spent up to now is 349.2 secs Computing kpt #: 236 total cpu time spent up to now is 350.2 secs Computing kpt #: 237 total cpu time spent up to now is 351.2 secs Computing kpt #: 238 total cpu time spent up to now is 352.2 secs Computing kpt #: 239 total cpu time spent up to now is 353.4 secs Computing kpt #: 240 total cpu time spent up to now is 354.6 secs Computing kpt #: 241 total cpu time spent up to now is 355.8 secs Computing kpt #: 242 total cpu time spent up to now is 357.2 secs Computing kpt #: 243 total cpu time spent up to now is 358.7 secs Computing kpt #: 244 total cpu time spent up to now is 360.1 secs Computing kpt #: 245 total cpu time spent up to now is 361.6 secs Computing kpt #: 246 total cpu time spent up to now is 363.2 secs Computing kpt #: 247 total cpu time spent up to now is 364.7 secs Computing kpt #: 248 total cpu time spent up to now is 366.3 secs Computing kpt #: 249 total cpu time spent up to now is 367.8 secs Computing kpt #: 250 total cpu time spent up to now is 369.5 secs Computing kpt #: 251 total cpu time spent up to now is 371.1 secs Computing kpt #: 252 total cpu time spent up to now is 372.6 secs Computing kpt #: 253 total cpu time spent up to now is 374.3 secs Computing kpt #: 254 total cpu time spent up to now is 375.8 secs Computing kpt #: 255 total cpu time spent up to now is 377.3 secs Computing kpt #: 256 total cpu time spent up to now is 378.9 secs Computing kpt #: 257 total cpu time spent up to now is 380.4 secs Computing kpt #: 258 total cpu time spent up to now is 381.8 secs Computing kpt #: 259 total cpu time spent up to now is 383.3 secs Computing kpt #: 260 total cpu time spent up to now is 384.9 secs Computing kpt #: 261 total cpu time spent up to now is 386.4 secs Computing kpt #: 262 total cpu time spent up to now is 387.9 secs Computing kpt #: 263 total cpu time spent up to now is 389.4 secs Computing kpt #: 264 total cpu time spent up to now is 391.0 secs Computing kpt #: 265 total cpu time spent up to now is 392.7 secs Computing kpt #: 266 total cpu time spent up to now is 394.2 secs Computing kpt #: 267 total cpu time spent up to now is 395.7 secs Computing kpt #: 268 total cpu time spent up to now is 397.2 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.3 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.5 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.6 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 405.7 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 407.8 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 409.9 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 412.0 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 414.2 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 416.3 secs Computing kpt #: 278 total cpu time spent up to now is 418.4 secs Computing kpt #: 279 total cpu time spent up to now is 420.5 secs Computing kpt #: 280 total cpu time spent up to now is 422.6 secs Computing kpt #: 281 total cpu time spent up to now is 424.5 secs Computing kpt #: 282 total cpu time spent up to now is 426.4 secs Computing kpt #: 283 total cpu time spent up to now is 428.1 secs Computing kpt #: 284 total cpu time spent up to now is 429.4 secs Computing kpt #: 285 total cpu time spent up to now is 431.0 secs Computing kpt #: 286 total cpu time spent up to now is 432.7 secs Computing kpt #: 287 total cpu time spent up to now is 434.2 secs Computing kpt #: 288 total cpu time spent up to now is 435.8 secs Computing kpt #: 289 total cpu time spent up to now is 437.6 secs Computing kpt #: 290 total cpu time spent up to now is 439.7 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.7 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.9 secs Computing kpt #: 293 total cpu time spent up to now is 445.2 secs Computing kpt #: 294 total cpu time spent up to now is 446.6 secs Computing kpt #: 295 total cpu time spent up to now is 447.9 secs Computing kpt #: 296 total cpu time spent up to now is 449.3 secs Computing kpt #: 297 total cpu time spent up to now is 450.6 secs Computing kpt #: 298 total cpu time spent up to now is 451.8 secs Computing kpt #: 299 total cpu time spent up to now is 453.2 secs Computing kpt #: 300 total cpu time spent up to now is 454.5 secs Computing kpt #: 301 total cpu time spent up to now is 455.7 secs Computing kpt #: 302 total cpu time spent up to now is 457.1 secs Computing kpt #: 303 total cpu time spent up to now is 458.3 secs Computing kpt #: 304 total cpu time spent up to now is 459.5 secs Computing kpt #: 305 total cpu time spent up to now is 460.6 secs Computing kpt #: 306 total cpu time spent up to now is 461.8 secs Computing kpt #: 307 total cpu time spent up to now is 462.7 secs Computing kpt #: 308 total cpu time spent up to now is 463.7 secs Computing kpt #: 309 total cpu time spent up to now is 464.7 secs Computing kpt #: 310 total cpu time spent up to now is 465.7 secs Computing kpt #: 311 total cpu time spent up to now is 466.7 secs Computing kpt #: 312 total cpu time spent up to now is 467.6 secs Computing kpt #: 313 total cpu time spent up to now is 468.5 secs Computing kpt #: 314 total cpu time spent up to now is 469.5 secs Computing kpt #: 315 total cpu time spent up to now is 470.4 secs Computing kpt #: 316 total cpu time spent up to now is 471.3 secs Computing kpt #: 317 total cpu time spent up to now is 472.3 secs Computing kpt #: 318 total cpu time spent up to now is 473.2 secs Computing kpt #: 319 total cpu time spent up to now is 474.2 secs Computing kpt #: 320 total cpu time spent up to now is 475.1 secs Computing kpt #: 321 total cpu time spent up to now is 477.5 secs Computing kpt #: 322 total cpu time spent up to now is 480.0 secs Computing kpt #: 323 total cpu time spent up to now is 480.9 secs Computing kpt #: 324 total cpu time spent up to now is 482.1 secs Computing kpt #: 325 total cpu time spent up to now is 483.1 secs Computing kpt #: 326 total cpu time spent up to now is 484.2 secs Computing kpt #: 327 total cpu time spent up to now is 485.3 secs Computing kpt #: 328 total cpu time spent up to now is 486.4 secs Computing kpt #: 329 total cpu time spent up to now is 487.5 secs Computing kpt #: 330 total cpu time spent up to now is 488.4 secs Computing kpt #: 331 total cpu time spent up to now is 489.4 secs Computing kpt #: 332 total cpu time spent up to now is 490.3 secs Computing kpt #: 333 total cpu time spent up to now is 491.3 secs Computing kpt #: 334 total cpu time spent up to now is 492.2 secs Computing kpt #: 335 total cpu time spent up to now is 493.1 secs Computing kpt #: 336 total cpu time spent up to now is 494.0 secs Computing kpt #: 337 total cpu time spent up to now is 494.9 secs Computing kpt #: 338 total cpu time spent up to now is 495.8 secs Computing kpt #: 339 total cpu time spent up to now is 496.7 secs Computing kpt #: 340 total cpu time spent up to now is 497.6 secs Computing kpt #: 341 total cpu time spent up to now is 498.5 secs Computing kpt #: 342 total cpu time spent up to now is 499.4 secs Computing kpt #: 343 total cpu time spent up to now is 500.2 secs Computing kpt #: 344 total cpu time spent up to now is 501.1 secs Computing kpt #: 345 total cpu time spent up to now is 502.0 secs Computing kpt #: 346 total cpu time spent up to now is 502.8 secs Computing kpt #: 347 total cpu time spent up to now is 503.7 secs Computing kpt #: 348 total cpu time spent up to now is 504.6 secs Computing kpt #: 349 total cpu time spent up to now is 505.4 secs Computing kpt #: 350 total cpu time spent up to now is 506.3 secs Computing kpt #: 351 total cpu time spent up to now is 507.1 secs Computing kpt #: 352 total cpu time spent up to now is 508.0 secs Computing kpt #: 353 total cpu time spent up to now is 508.9 secs Computing kpt #: 354 total cpu time spent up to now is 509.8 secs Computing kpt #: 355 total cpu time spent up to now is 510.6 secs Computing kpt #: 356 total cpu time spent up to now is 511.5 secs Computing kpt #: 357 total cpu time spent up to now is 512.4 secs Computing kpt #: 358 total cpu time spent up to now is 513.3 secs Computing kpt #: 359 total cpu time spent up to now is 514.1 secs Computing kpt #: 360 total cpu time spent up to now is 515.0 secs Computing kpt #: 361 total cpu time spent up to now is 515.9 secs Computing kpt #: 362 total cpu time spent up to now is 516.8 secs Computing kpt #: 363 total cpu time spent up to now is 517.7 secs Computing kpt #: 364 total cpu time spent up to now is 518.6 secs Computing kpt #: 365 total cpu time spent up to now is 519.5 secs Computing kpt #: 366 total cpu time spent up to now is 520.4 secs Computing kpt #: 367 total cpu time spent up to now is 521.3 secs Computing kpt #: 368 total cpu time spent up to now is 522.2 secs Computing kpt #: 369 total cpu time spent up to now is 523.1 secs Computing kpt #: 370 total cpu time spent up to now is 524.0 secs Computing kpt #: 371 total cpu time spent up to now is 525.0 secs Computing kpt #: 372 total cpu time spent up to now is 525.9 secs Computing kpt #: 373 total cpu time spent up to now is 526.8 secs Computing kpt #: 374 total cpu time spent up to now is 527.7 secs Computing kpt #: 375 total cpu time spent up to now is 528.7 secs Computing kpt #: 376 total cpu time spent up to now is 529.6 secs Computing kpt #: 377 total cpu time spent up to now is 530.5 secs Computing kpt #: 378 total cpu time spent up to now is 531.4 secs Computing kpt #: 379 total cpu time spent up to now is 532.3 secs Computing kpt #: 380 total cpu time spent up to now is 533.3 secs Computing kpt #: 381 total cpu time spent up to now is 534.2 secs Computing kpt #: 382 total cpu time spent up to now is 535.1 secs Computing kpt #: 383 total cpu time spent up to now is 536.0 secs Computing kpt #: 384 total cpu time spent up to now is 536.9 secs Computing kpt #: 385 total cpu time spent up to now is 537.9 secs Computing kpt #: 386 total cpu time spent up to now is 538.8 secs Computing kpt #: 387 total cpu time spent up to now is 539.7 secs Computing kpt #: 388 total cpu time spent up to now is 540.7 secs Computing kpt #: 389 total cpu time spent up to now is 541.6 secs Computing kpt #: 390 total cpu time spent up to now is 542.5 secs Computing kpt #: 391 total cpu time spent up to now is 543.4 secs Computing kpt #: 392 total cpu time spent up to now is 544.3 secs Computing kpt #: 393 total cpu time spent up to now is 545.2 secs Computing kpt #: 394 total cpu time spent up to now is 546.1 secs Computing kpt #: 395 total cpu time spent up to now is 547.0 secs Computing kpt #: 396 total cpu time spent up to now is 547.9 secs Computing kpt #: 397 total cpu time spent up to now is 548.8 secs Computing kpt #: 398 total cpu time spent up to now is 549.7 secs Computing kpt #: 399 total cpu time spent up to now is 550.6 secs Computing kpt #: 400 total cpu time spent up to now is 551.4 secs Computing kpt #: 401 total cpu time spent up to now is 552.3 secs Computing kpt #: 402 total cpu time spent up to now is 553.2 secs Computing kpt #: 403 total cpu time spent up to now is 554.0 secs Computing kpt #: 404 total cpu time spent up to now is 554.9 secs Computing kpt #: 405 total cpu time spent up to now is 555.8 secs Computing kpt #: 406 total cpu time spent up to now is 556.6 secs Computing kpt #: 407 total cpu time spent up to now is 557.5 secs Computing kpt #: 408 total cpu time spent up to now is 558.3 secs Computing kpt #: 409 total cpu time spent up to now is 559.2 secs Computing kpt #: 410 total cpu time spent up to now is 560.1 secs Computing kpt #: 411 total cpu time spent up to now is 561.0 secs Computing kpt #: 412 total cpu time spent up to now is 561.9 secs Computing kpt #: 413 total cpu time spent up to now is 562.7 secs Computing kpt #: 414 total cpu time spent up to now is 563.6 secs Computing kpt #: 415 total cpu time spent up to now is 565.2 secs Computing kpt #: 416 total cpu time spent up to now is 566.7 secs Computing kpt #: 417 total cpu time spent up to now is 568.2 secs Computing kpt #: 418 total cpu time spent up to now is 569.7 secs Computing kpt #: 419 total cpu time spent up to now is 571.2 secs Computing kpt #: 420 total cpu time spent up to now is 572.8 secs Computing kpt #: 421 total cpu time spent up to now is 574.2 secs Computing kpt #: 422 total cpu time spent up to now is 575.9 secs Computing kpt #: 423 total cpu time spent up to now is 577.4 secs Computing kpt #: 424 total cpu time spent up to now is 579.0 secs Computing kpt #: 425 total cpu time spent up to now is 580.6 secs Computing kpt #: 426 total cpu time spent up to now is 582.1 secs Computing kpt #: 427 total cpu time spent up to now is 583.7 secs Computing kpt #: 428 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 585.7 secs Computing kpt #: 429 total cpu time spent up to now is 587.3 secs Computing kpt #: 430 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 589.4 secs Computing kpt #: 431 total cpu time spent up to now is 591.0 secs Computing kpt #: 432 total cpu time spent up to now is 592.6 secs Computing kpt #: 433 total cpu time spent up to now is 594.1 secs Computing kpt #: 434 total cpu time spent up to now is 596.2 secs Computing kpt #: 435 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 598.2 secs Computing kpt #: 436 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 600.3 secs Computing kpt #: 437 total cpu time spent up to now is 602.3 secs Computing kpt #: 438 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 604.4 secs Computing kpt #: 439 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 606.6 secs Computing kpt #: 440 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 608.8 secs Computing kpt #: 441 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 610.9 secs Computing kpt #: 442 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 612.9 secs Computing kpt #: 443 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.2 secs Computing kpt #: 444 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 617.4 secs Computing kpt #: 445 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.7 secs Computing kpt #: 446 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 621.7 secs Computing kpt #: 447 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 624.0 secs Computing kpt #: 448 total cpu time spent up to now is 625.0 secs Computing kpt #: 449 total cpu time spent up to now is 626.1 secs Computing kpt #: 450 total cpu time spent up to now is 627.5 secs Computing kpt #: 451 total cpu time spent up to now is 629.0 secs Computing kpt #: 452 total cpu time spent up to now is 630.5 secs Computing kpt #: 453 total cpu time spent up to now is 632.0 secs Computing kpt #: 454 total cpu time spent up to now is 633.5 secs Computing kpt #: 455 total cpu time spent up to now is 635.1 secs Computing kpt #: 456 total cpu time spent up to now is 636.6 secs Computing kpt #: 457 total cpu time spent up to now is 638.2 secs Computing kpt #: 458 total cpu time spent up to now is 639.7 secs Computing kpt #: 459 total cpu time spent up to now is 641.3 secs Computing kpt #: 460 total cpu time spent up to now is 643.0 secs Computing kpt #: 461 total cpu time spent up to now is 645.1 secs Computing kpt #: 462 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 647.2 secs Computing kpt #: 463 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.4 secs Computing kpt #: 464 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 651.5 secs Computing kpt #: 465 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 653.6 secs Computing kpt #: 466 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 655.7 secs Computing kpt #: 467 total cpu time spent up to now is 657.8 secs Computing kpt #: 468 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 660.0 secs Computing kpt #: 469 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 662.1 secs Computing kpt #: 470 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 664.3 secs Computing kpt #: 471 total cpu time spent up to now is 666.3 secs Computing kpt #: 472 total cpu time spent up to now is 668.3 secs Computing kpt #: 473 total cpu time spent up to now is 670.3 secs Computing kpt #: 474 total cpu time spent up to now is 672.4 secs Computing kpt #: 475 total cpu time spent up to now is 674.3 secs Computing kpt #: 476 total cpu time spent up to now is 675.8 secs Computing kpt #: 477 total cpu time spent up to now is 677.4 secs Computing kpt #: 478 total cpu time spent up to now is 679.1 secs Computing kpt #: 479 total cpu time spent up to now is 680.6 secs Computing kpt #: 480 total cpu time spent up to now is 682.1 secs Computing kpt #: 481 total cpu time spent up to now is 683.8 secs Computing kpt #: 482 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 685.9 secs Computing kpt #: 483 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 687.9 secs Computing kpt #: 484 total cpu time spent up to now is 689.3 secs ethr = 1.92E-11, avg # of iterations = 66.4 total cpu time spent up to now is 689.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2697 PWs) bands (ev): -11.5484 -11.5484 -10.9870 -10.9870 -10.8716 -10.8716 -10.8126 -10.8126 -10.1504 -10.1504 -10.0793 -10.0793 -9.9155 -9.9155 -9.8254 -9.8254 -9.7238 -9.7238 -9.7128 -9.7128 -9.1903 -9.1903 -7.3871 -7.3871 -7.3489 -7.3489 -5.4668 -5.4668 1.5932 1.5932 5.6264 5.6264 5.7090 5.7090 5.7539 5.7539 6.6136 6.6136 7.7512 7.7512 7.8706 7.8706 8.4981 8.4981 8.5170 8.5170 8.9955 8.9955 9.0241 9.0241 9.7501 9.7501 11.0537 11.0537 15.9369 15.9369 15.9832 15.9832 16.1828 16.1828 20.2248 20.2248 k = 0.0100-0.0000-0.0000 ( 2693 PWs) bands (ev): -11.5479 -11.5479 -10.9869 -10.9869 -10.8719 -10.8719 -10.8128 -10.8128 -10.1505 -10.1505 -10.0794 -10.0794 -9.9161 -9.9161 -9.8255 -9.8255 -9.7239 -9.7239 -9.7132 -9.7132 -9.1898 -9.1898 -7.3854 -7.3854 -7.3471 -7.3471 -5.4676 -5.4676 1.5931 1.5931 5.6274 5.6274 5.7091 5.7091 5.7539 5.7539 6.6143 6.6143 7.7389 7.7389 7.8739 7.8739 8.4935 8.4935 8.5124 8.5124 8.9963 8.9963 9.0248 9.0248 9.7493 9.7493 11.0617 11.0617 15.9393 15.9393 15.9878 15.9878 16.1874 16.1874 20.1639 20.1639 k = 0.0200-0.0000-0.0000 ( 2693 PWs) bands (ev): -11.5467 -11.5467 -10.9866 -10.9866 -10.8727 -10.8727 -10.8132 -10.8132 -10.1507 -10.1507 -10.0796 -10.0796 -9.9179 -9.9179 -9.8257 -9.8257 -9.7240 -9.7240 -9.7145 -9.7145 -9.1886 -9.1886 -7.3800 -7.3800 -7.3417 -7.3417 -5.4699 -5.4699 1.5927 1.5927 5.6301 5.6301 5.7091 5.7091 5.7540 5.7540 6.6163 6.6163 7.7054 7.7054 7.8803 7.8803 8.4798 8.4798 8.4986 8.4986 8.9986 8.9986 9.0269 9.0269 9.7467 9.7467 11.0856 11.0856 15.9465 15.9465 16.0016 16.0016 16.2012 16.2012 20.0830 20.0830 k = 0.0300-0.0000-0.0000 ( 2693 PWs) bands (ev): -11.5446 -11.5446 -10.9861 -10.9861 -10.8741 -10.8741 -10.8139 -10.8139 -10.1510 -10.1510 -10.0800 -10.0800 -9.9209 -9.9209 -9.8260 -9.8260 -9.7244 -9.7244 -9.7166 -9.7166 -9.1866 -9.1866 -7.3712 -7.3712 -7.3328 -7.3328 -5.4738 -5.4738 1.5921 1.5921 5.6348 5.6348 5.7085 5.7085 5.7549 5.7549 6.6196 6.6196 7.6563 7.6563 7.8852 7.8852 8.4574 8.4574 8.4761 8.4761 9.0021 9.0021 9.0299 9.0299 9.7424 9.7424 11.1247 11.1247 15.9583 15.9583 16.0244 16.0244 16.2242 16.2242 20.0008 20.0008 k = 0.0400-0.0000-0.0000 ( 2685 PWs) bands (ev): -11.5417 -11.5417 -10.9855 -10.9855 -10.8761 -10.8761 -10.8149 -10.8149 -10.1515 -10.1515 -10.0806 -10.0806 -9.9251 -9.9251 -9.8265 -9.8265 -9.7248 -9.7248 -9.7195 -9.7195 -9.1836 -9.1836 -7.3589 -7.3589 -7.3205 -7.3205 -5.4793 -5.4793 1.5912 1.5912 5.6412 5.6412 5.7063 5.7063 5.7576 5.7576 6.6243 6.6243 7.5944 7.5944 7.8865 7.8865 8.4269 8.4269 8.4455 8.4455 9.0063 9.0063 9.0336 9.0336 9.7365 9.7365 11.1779 11.1779 15.9747 15.9747 16.0560 16.0560 16.2561 16.2561 19.9185 19.9185 k = 0.0500-0.0000-0.0000 ( 2669 PWs) bands (ev): -11.5380 -11.5380 -10.9849 -10.9849 -10.8786 -10.8786 -10.8161 -10.8161 -10.1521 -10.1521 -10.0813 -10.0813 -9.9303 -9.9303 -9.8271 -9.8271 -9.7253 -9.7253 -9.7231 -9.7231 -9.1798 -9.1798 -7.3432 -7.3432 -7.3048 -7.3048 -5.4864 -5.4864 1.5901 1.5901 5.6495 5.6495 5.7019 5.7019 5.7629 5.7629 6.6303 6.6303 7.5216 7.5216 7.8839 7.8839 8.3890 8.3890 8.4073 8.4073 9.0107 9.0107 9.0374 9.0374 9.7288 9.7288 11.2439 11.2439 15.9955 15.9955 16.0962 16.0962 16.2966 16.2966 19.8367 19.8367 k = 0.0600-0.0000-0.0000 ( 2669 PWs) bands (ev): -11.5335 -11.5335 -10.9842 -10.9842 -10.8818 -10.8818 -10.8176 -10.8176 -10.1528 -10.1528 -10.0821 -10.0821 -9.9365 -9.9365 -9.8278 -9.8278 -9.7272 -9.7272 -9.7258 -9.7258 -9.1752 -9.1752 -7.3244 -7.3244 -7.2859 -7.2859 -5.4951 -5.4951 1.5888 1.5888 5.6595 5.6595 5.6951 5.6951 5.7708 5.7708 6.6376 6.6376 7.4391 7.4391 7.8775 7.8775 8.3444 8.3444 8.3624 8.3624 9.0151 9.0151 9.0411 9.0411 9.7195 9.7195 11.3214 11.3214 16.0204 16.0204 16.1448 16.1448 16.3456 16.3456 19.7555 19.7555 k = 0.0700-0.0000-0.0000 ( 2669 PWs) bands (ev): -11.5281 -11.5281 -10.9836 -10.9836 -10.8856 -10.8856 -10.8193 -10.8193 -10.1536 -10.1536 -10.0831 -10.0831 -9.9435 -9.9435 -9.8288 -9.8288 -9.7317 -9.7317 -9.7264 -9.7264 -9.1695 -9.1695 -7.3024 -7.3024 -7.2638 -7.2638 -5.5054 -5.5054 1.5874 1.5874 5.6713 5.6713 5.6862 5.6862 5.7813 5.7813 6.6463 6.6463 7.3481 7.3481 7.8675 7.8675 8.2938 8.2938 8.3112 8.3112 9.0189 9.0189 9.0442 9.0442 9.7085 9.7085 11.4089 11.4089 16.0492 16.0492 16.2012 16.2012 16.4026 16.4026 19.6754 19.6754 k = 0.0800-0.0000-0.0000 ( 2675 PWs) bands (ev): -11.5221 -11.5221 -10.9831 -10.9831 -10.8900 -10.8900 -10.8212 -10.8212 -10.1545 -10.1545 -10.0843 -10.0843 -9.9513 -9.9513 -9.8298 -9.8298 -9.7365 -9.7365 -9.7270 -9.7270 -9.1629 -9.1629 -7.2775 -7.2775 -7.2389 -7.2389 -5.5173 -5.5173 1.5858 1.5858 5.6756 5.6756 5.6848 5.6848 5.7942 5.7942 6.6562 6.6562 7.2496 7.2496 7.8542 7.8542 8.2377 8.2377 8.2544 8.2544 9.0221 9.0221 9.0467 9.0467 9.6958 9.6958 11.5050 11.5050 16.0816 16.0816 16.2653 16.2653 16.4673 16.4673 19.5965 19.5965 k = 0.0900-0.0000-0.0000 ( 2673 PWs) bands (ev): -11.5152 -11.5152 -10.9829 -10.9829 -10.8950 -10.8950 -10.8232 -10.8232 -10.1556 -10.1556 -10.0855 -10.0855 -9.9596 -9.9596 -9.8311 -9.8311 -9.7415 -9.7415 -9.7276 -9.7276 -9.1552 -9.1552 -7.2498 -7.2498 -7.2112 -7.2112 -5.5308 -5.5308 1.5841 1.5841 5.6636 5.6636 5.7000 5.7000 5.8091 5.8091 6.6675 6.6675 7.1447 7.1447 7.8378 7.8378 8.1768 8.1768 8.1925 8.1925 9.0244 9.0244 9.0482 9.0482 9.6815 9.6815 11.6086 11.6086 16.1173 16.1173 16.3364 16.3364 16.5392 16.5392 19.5191 19.5191 k = 0.1000-0.0000-0.0000 ( 2665 PWs) bands (ev): -11.5076 -11.5076 -10.9831 -10.9831 -10.9008 -10.9008 -10.8253 -10.8253 -10.1567 -10.1567 -10.0869 -10.0869 -9.9685 -9.9685 -9.8326 -9.8326 -9.7464 -9.7464 -9.7281 -9.7281 -9.1464 -9.1464 -7.2196 -7.2196 -7.1809 -7.1809 -5.5460 -5.5460 1.5824 1.5824 5.6505 5.6505 5.7167 5.7167 5.8260 5.8260 6.6801 6.6801 7.0345 7.0345 7.8186 7.8186 8.1115 8.1115 8.1262 8.1262 9.0258 9.0258 9.0488 9.0488 9.6656 9.6656 11.7183 11.7183 16.1557 16.1557 16.4143 16.4143 16.6179 16.6179 19.4435 19.4435 k = 0.1100-0.0000-0.0000 ( 2665 PWs) bands (ev): -11.4994 -11.4994 -10.9838 -10.9838 -10.9072 -10.9072 -10.8275 -10.8275 -10.1579 -10.1579 -10.0883 -10.0883 -9.9776 -9.9776 -9.8342 -9.8342 -9.7512 -9.7512 -9.7287 -9.7287 -9.1365 -9.1365 -7.1869 -7.1869 -7.1482 -7.1482 -5.5628 -5.5628 1.5807 1.5807 5.6366 5.6366 5.7349 5.7349 5.8448 5.8448 6.6940 6.6940 6.9197 6.9197 7.7967 7.7967 8.0425 8.0425 8.0559 8.0559 9.0260 9.0260 9.0483 9.0483 9.6480 9.6480 11.8331 11.8331 16.1966 16.1966 16.4983 16.4983 16.7030 16.7030 19.3700 19.3700 k = 0.1200-0.0000-0.0000 ( 2665 PWs) bands (ev): -11.4904 -11.4904 -10.9851 -10.9851 -10.9143 -10.9143 -10.8296 -10.8296 -10.1592 -10.1592 -10.0898 -10.0898 -9.9869 -9.9869 -9.8361 -9.8361 -9.7557 -9.7557 -9.7291 -9.7291 -9.1254 -9.1254 -7.1520 -7.1520 -7.1133 -7.1133 -5.5813 -5.5813 1.5791 1.5791 5.6220 5.6220 5.7546 5.7546 5.8653 5.8653 6.7091 6.7091 6.8013 6.8013 7.7721 7.7721 7.9702 7.9702 7.9820 7.9820 9.0252 9.0252 9.0467 9.0467 9.6288 9.6288 11.9523 11.9523 16.2394 16.2394 16.5881 16.5881 16.7939 16.7939 19.2988 19.2988 k = 0.1300-0.0000-0.0000 ( 2667 PWs) bands (ev): -11.4808 -11.4808 -10.9872 -10.9872 -10.9221 -10.9221 -10.8317 -10.8317 -10.1606 -10.1606 -10.0914 -10.0914 -9.9963 -9.9963 -9.8381 -9.8381 -9.7598 -9.7598 -9.7295 -9.7295 -9.1130 -9.1130 -7.1151 -7.1151 -7.0764 -7.0764 -5.6015 -5.6015 1.5775 1.5775 5.6071 5.6071 5.7755 5.7755 5.8874 5.8874 6.6797 6.6797 6.7258 6.7258 7.7448 7.7448 7.8952 7.8952 7.9052 7.9052 9.0233 9.0233 9.0440 9.0440 9.6081 9.6081 12.0749 12.0749 16.2837 16.2837 16.6832 16.6832 16.8902 16.8902 19.2301 19.2301 k = 0.1400-0.0000-0.0000 ( 2675 PWs) bands (ev): -11.4705 -11.4705 -10.9901 -10.9901 -10.9306 -10.9306 -10.8337 -10.8337 -10.1619 -10.1619 -10.0930 -10.0930 -10.0055 -10.0055 -9.8404 -9.8404 -9.7633 -9.7633 -9.7299 -9.7299 -9.0993 -9.0993 -7.0763 -7.0763 -7.0377 -7.0377 -5.6234 -5.6234 1.5762 1.5762 5.5921 5.5921 5.7975 5.7975 5.9111 5.9111 6.5561 6.5561 6.7434 6.7434 7.7145 7.7145 7.8182 7.8182 7.8261 7.8261 9.0203 9.0203 9.0402 9.0402 9.5858 9.5858 12.2003 12.2003 16.3290 16.3290 16.7830 16.7830 16.9914 16.9914 19.1642 19.1642 k = 0.1500-0.0000-0.0000 ( 2681 PWs) bands (ev): -11.4597 -11.4597 -10.9939 -10.9939 -10.9398 -10.9398 -10.8356 -10.8356 -10.1633 -10.1633 -10.0947 -10.0947 -10.0146 -10.0146 -9.8429 -9.8429 -9.7663 -9.7663 -9.7301 -9.7301 -9.0841 -9.0841 -7.0359 -7.0359 -6.9974 -6.9974 -5.6470 -5.6470 1.5752 1.5752 5.5771 5.5771 5.8201 5.8201 5.9362 5.9362 6.4309 6.4309 6.7624 6.7624 7.6798 7.6798 7.7398 7.7398 7.7465 7.7465 9.0161 9.0161 9.0352 9.0352 9.5620 9.5620 12.3278 12.3278 16.3748 16.3748 16.8871 16.8871 17.0970 17.0970 19.1014 19.1014 k = 0.1600-0.0000-0.0000 ( 2685 PWs) bands (ev): -11.4483 -11.4483 -10.9988 -10.9988 -10.9497 -10.9497 -10.8372 -10.8372 -10.1646 -10.1646 -10.0963 -10.0963 -10.0234 -10.0234 -9.8456 -9.8456 -9.7686 -9.7686 -9.7303 -9.7303 -9.0675 -9.0675 -6.9940 -6.9940 -6.9557 -6.9557 -5.6724 -5.6724 1.5745 1.5745 5.5623 5.5623 5.8429 5.8429 5.9627 5.9627 6.3053 6.3053 6.7827 6.7827 7.6327 7.6327 7.6584 7.6584 7.6769 7.6769 9.0109 9.0109 9.0292 9.0292 9.5367 9.5367 12.4569 12.4569 16.4206 16.4206 16.9951 16.9951 17.2066 17.2066 19.0418 19.0418 k = 0.1700-0.0000-0.0000 ( 2685 PWs) bands (ev): -11.4364 -11.4364 -11.0046 -11.0046 -10.9603 -10.9603 -10.8388 -10.8388 -10.1658 -10.1658 -10.0979 -10.0979 -10.0318 -10.0318 -9.8485 -9.8485 -9.7703 -9.7703 -9.7304 -9.7304 -9.0493 -9.0493 -6.9509 -6.9509 -6.9128 -6.9128 -5.6996 -5.6996 1.5742 1.5742 5.5481 5.5481 5.8639 5.8639 5.9904 5.9904 6.1811 6.1811 6.8042 6.8042 7.5626 7.5626 7.5743 7.5743 7.6287 7.6287 9.0046 9.0046 9.0221 9.0221 9.5099 9.5099 12.5872 12.5872 16.4658 16.4658 17.1065 17.1065 17.3196 17.3196 18.9858 18.9858 k = 0.1800-0.0000-0.0000 ( 2685 PWs) bands (ev): -11.4240 -11.4240 -11.0115 -11.0115 -10.9715 -10.9715 -10.8401 -10.8401 -10.1670 -10.1670 -10.0995 -10.0995 -10.0398 -10.0398 -9.8516 -9.8516 -9.7713 -9.7713 -9.7305 -9.7305 -9.0296 -9.0296 -6.9066 -6.9066 -6.8688 -6.8688 -5.7285 -5.7285 1.5745 1.5745 5.5345 5.5345 5.8766 5.8766 6.0192 6.0192 6.0654 6.0654 6.8269 6.8269 7.4824 7.4824 7.4893 7.4893 7.5883 7.5883 8.9972 8.9972 9.0139 9.0139 9.4816 9.4816 12.7182 12.7182 16.5099 16.5099 17.2208 17.2208 17.4357 17.4357 18.9334 18.9334 k = 0.1900-0.0000-0.0000 ( 2689 PWs) bands (ev): -11.4112 -11.4112 -11.0194 -11.0194 -10.9834 -10.9834 -10.8414 -10.8414 -10.1679 -10.1679 -10.1011 -10.1011 -10.0473 -10.0473 -9.8548 -9.8548 -9.7716 -9.7716 -9.7304 -9.7304 -9.0081 -9.0081 -6.8615 -6.8615 -6.8240 -6.8240 -5.7592 -5.7592 1.5754 1.5754 5.5217 5.5217 5.8482 5.8482 5.9908 5.9908 6.0490 6.0490 6.8509 6.8509 7.3991 7.3991 7.4048 7.4048 7.5482 7.5482 8.9887 8.9887 9.0047 9.0047 9.4520 9.4520 12.8495 12.8495 16.5525 16.5525 17.3376 17.3376 17.5543 17.5543 18.8850 18.8850 k = 0.2000-0.0000-0.0000 ( 2681 PWs) bands (ev): -11.3979 -11.3979 -11.0283 -11.0283 -10.9958 -10.9958 -10.8426 -10.8426 -10.1687 -10.1687 -10.1026 -10.1026 -10.0544 -10.0544 -9.8581 -9.8581 -9.7713 -9.7713 -9.7303 -9.7303 -8.9848 -8.9848 -6.8156 -6.8156 -6.7784 -6.7784 -5.7916 -5.7916 1.5771 1.5771 5.5100 5.5100 5.7502 5.7502 5.9859 5.9859 6.0794 6.0794 6.8761 6.8761 7.3143 7.3143 7.3216 7.3216 7.5071 7.5071 8.9792 8.9792 8.9944 8.9944 9.4210 9.4210 12.9808 12.9808 16.5930 16.5930 17.4565 17.4565 17.6751 17.6751 18.8408 18.8408 k = 0.2100-0.0000-0.0000 ( 2685 PWs) bands (ev): -11.3843 -11.3843 -11.0381 -11.0381 -11.0087 -11.0087 -10.8438 -10.8438 -10.1691 -10.1691 -10.1040 -10.1040 -10.0609 -10.0609 -9.8616 -9.8616 -9.7704 -9.7704 -9.7301 -9.7301 -8.9598 -8.9598 -6.7692 -6.7692 -6.7324 -6.7324 -5.8259 -5.8259 1.5796 1.5796 5.4994 5.4994 5.6287 5.6287 6.0046 6.0046 6.1103 6.1103 6.9024 6.9024 7.2292 7.2292 7.2401 7.2401 7.4647 7.4647 8.9687 8.9687 8.9830 8.9830 9.3886 9.3886 13.1118 13.1118 16.6311 16.6311 17.5771 17.5771 17.7975 17.7975 18.8009 18.8009 k = 0.2200-0.0000-0.0000 ( 2677 PWs) bands (ev): -11.3703 -11.3703 -11.0486 -11.0486 -11.0221 -11.0221 -10.8450 -10.8450 -10.1693 -10.1693 -10.1053 -10.1053 -10.0669 -10.0669 -9.8651 -9.8651 -9.7689 -9.7689 -9.7298 -9.7298 -8.9328 -8.9328 -6.7224 -6.7224 -6.6861 -6.6861 -5.8619 -5.8619 1.5832 1.5832 5.4901 5.4901 5.5020 5.5020 6.0282 6.0282 6.1412 6.1412 6.9299 6.9299 7.1450 7.1450 7.1605 7.1605 7.4209 7.4209 8.9571 8.9571 8.9706 8.9706 9.3549 9.3549 13.2421 13.2421 16.6662 16.6662 17.6989 17.6989 17.9210 17.9210 18.7656 18.7656 k = 0.2300-0.0000-0.0000 ( 2673 PWs) bands (ev): -11.3561 -11.3561 -11.0598 -11.0598 -11.0358 -11.0358 -10.8463 -10.8463 -10.1692 -10.1692 -10.1066 -10.1066 -10.0725 -10.0725 -9.8688 -9.8688 -9.7670 -9.7670 -9.7294 -9.7294 -8.9040 -8.9040 -6.6754 -6.6754 -6.6396 -6.6396 -5.8998 -5.8998 1.5878 1.5878 5.3740 5.3740 5.4822 5.4822 6.0526 6.0526 6.1718 6.1718 6.9585 6.9585 7.0625 7.0625 7.0835 7.0835 7.3757 7.3757 8.9445 8.9445 8.9573 8.9573 9.3200 9.3200 13.3715 13.3715 16.6980 16.6980 17.8217 17.8217 18.0452 18.0452 18.7351 18.7351 k = 0.2400-0.0000-0.0000 ( 2673 PWs) bands (ev): -11.3416 -11.3416 -11.0717 -11.0717 -11.0499 -11.0499 -10.8477 -10.8477 -10.1687 -10.1687 -10.1079 -10.1079 -10.0775 -10.0775 -9.8726 -9.8726 -9.7646 -9.7646 -9.7289 -9.7289 -8.8731 -8.8731 -6.6283 -6.6283 -6.5931 -6.5931 -5.9394 -5.9394 1.5936 1.5936 5.2459 5.2459 5.4759 5.4759 6.0760 6.0760 6.2011 6.2011 6.9828 6.9828 6.9875 6.9875 7.0109 7.0109 7.3293 7.3293 8.9310 8.9310 8.9429 8.9429 9.2839 9.2839 13.4998 13.4998 16.7261 16.7261 17.9450 17.9450 18.1693 18.1693 18.7101 18.7101 k = 0.2500-0.0000-0.0000 ( 2677 PWs) bands (ev): -11.3269 -11.3269 -11.0840 -11.0840 -11.0642 -11.0642 -10.8493 -10.8493 -10.1678 -10.1678 -10.1091 -10.1091 -10.0821 -10.0821 -9.8766 -9.8766 -9.7618 -9.7618 -9.7284 -9.7284 -8.8403 -8.8403 -6.5813 -6.5813 -6.5467 -6.5467 -5.9809 -5.9809 1.6007 1.6007 5.1181 5.1181 5.4712 5.4712 6.0969 6.0969 6.2283 6.2283 6.9071 6.9071 6.9408 6.9408 7.0198 7.0198 7.2817 7.2817 8.9164 8.9164 8.9276 8.9276 9.2465 9.2465 13.6268 13.6268 16.7502 16.7502 18.0685 18.0685 18.2923 18.2923 18.6911 18.6911 k = 0.2600-0.0000-0.0000 ( 2681 PWs) bands (ev): -11.3121 -11.3121 -11.0967 -11.0967 -11.0787 -11.0787 -10.8511 -10.8511 -10.1665 -10.1665 -10.1102 -10.1102 -10.0863 -10.0863 -9.8806 -9.8806 -9.7587 -9.7587 -9.7277 -9.7277 -8.8053 -8.8053 -6.5346 -6.5346 -6.5007 -6.5007 -6.0240 -6.0240 1.6093 1.6093 4.9911 4.9911 5.4683 5.4683 6.1138 6.1138 6.2514 6.2514 6.8374 6.8374 6.8785 6.8785 7.0516 7.0516 7.2330 7.2330 8.9009 8.9009 8.9113 8.9113 9.2081 9.2081 13.7522 13.7522 16.7701 16.7701 18.1918 18.1918 18.4116 18.4116 18.6806 18.6806 k = 0.2700-0.0000-0.0000 ( 2685 PWs) bands (ev): -11.2972 -11.2972 -11.1097 -11.1097 -11.0932 -11.0932 -10.8531 -10.8531 -10.1649 -10.1649 -10.1113 -10.1113 -10.0901 -10.0901 -9.8848 -9.8848 -9.7554 -9.7554 -9.7270 -9.7270 -8.7684 -8.7684 -6.4883 -6.4883 -6.4552 -6.4552 -6.0690 -6.0690 1.6195 1.6195 4.8651 4.8651 5.4671 5.4671 6.1249 6.1249 6.2681 6.2681 6.7763 6.7763 6.8243 6.8243 7.0845 7.0845 7.1835 7.1835 8.8844 8.8844 8.8942 8.8942 9.1685 9.1685 13.8758 13.8758 16.7857 16.7857 18.3146 18.3146 18.5193 18.5193 18.6862 18.6862 k = 0.2800-0.0000-0.0000 ( 2681 PWs) bands (ev): -11.2822 -11.2822 -11.1228 -11.1228 -11.1077 -11.1077 -10.8554 -10.8554 -10.1628 -10.1628 -10.1124 -10.1124 -10.0934 -10.0934 -9.8892 -9.8892 -9.7519 -9.7519 -9.7263 -9.7263 -8.7294 -8.7294 -6.4426 -6.4426 -6.4103 -6.4103 -6.1156 -6.1156 1.6314 1.6314 4.7403 4.7403 5.4679 5.4679 6.1282 6.1282 6.2745 6.2745 6.7276 6.7276 6.7803 6.7803 7.1164 7.1164 7.1352 7.1352 8.8671 8.8671 8.8762 8.8762 9.1279 9.1279 13.9975 13.9975 16.7966 16.7966 18.4366 18.4366 18.5886 18.5886 18.7344 18.7344 k = 0.2900-0.0000-0.0000 ( 2681 PWs) bands (ev): -11.2672 -11.2672 -11.1360 -11.1360 -11.1220 -11.1220 -10.8580 -10.8580 -10.1604 -10.1604 -10.1135 -10.1135 -10.0964 -10.0964 -9.8936 -9.8936 -9.7483 -9.7483 -9.7254 -9.7254 -8.6883 -8.6883 -6.3977 -6.3977 -6.3662 -6.3662 -6.1639 -6.1639 1.6451 1.6451 4.6168 4.6168 5.4706 5.4706 6.1220 6.1220 6.2670 6.2670 6.6953 6.6953 6.7483 6.7483 7.0805 7.0805 7.1550 7.1550 8.8488 8.8488 8.8573 8.8573 9.0864 9.0864 14.1172 14.1172 16.8030 16.8030 18.5574 18.5574 18.6129 18.6129 18.8315 18.8315 k = 0.3000-0.0000-0.0000 ( 2677 PWs) bands (ev): -11.2523 -11.2523 -11.1493 -11.1493 -11.1362 -11.1362 -10.8608 -10.8608 -10.1576 -10.1576 -10.1145 -10.1145 -10.0989 -10.0989 -9.8983 -9.8983 -9.7446 -9.7446 -9.7245 -9.7245 -8.6452 -8.6452 -6.3537 -6.3537 -6.3230 -6.3230 -6.2138 -6.2138 1.6608 1.6608 4.4948 4.4948 5.4752 5.4752 6.1054 6.1054 6.2435 6.2435 6.6813 6.6813 6.7291 6.7291 7.0288 7.0288 7.1910 7.1910 8.8298 8.8298 8.8378 8.8378 9.0439 9.0439 14.2346 14.2346 16.8047 16.8047 18.6246 18.6246 18.6769 18.6769 18.9449 18.9449 k = 0.3100-0.0000-0.0000 ( 2669 PWs) bands (ev): -11.2376 -11.2376 -11.1624 -11.1624 -11.1499 -11.1499 -10.8640 -10.8640 -10.1545 -10.1545 -10.1155 -10.1155 -10.1011 -10.1011 -9.9030 -9.9030 -9.7409 -9.7409 -9.7235 -9.7235 -8.6001 -8.6001 -6.3111 -6.3111 -6.2809 -6.2809 -6.2649 -6.2649 1.6785 1.6785 4.3744 4.3744 5.4819 5.4819 6.0789 6.0789 6.2061 6.2061 6.6839 6.6839 6.7225 6.7225 6.9765 6.9765 7.2281 7.2281 8.8100 8.8100 8.8175 8.8175 9.0005 9.0005 14.3496 14.3496 16.8017 16.8017 18.6365 18.6365 18.7945 18.7945 19.0615 19.0615 k = 0.3200-0.0000-0.0000 ( 2671 PWs) bands (ev): -11.2234 -11.2234 -11.1753 -11.1753 -11.1629 -11.1629 -10.8674 -10.8674 -10.1513 -10.1513 -10.1166 -10.1166 -10.1027 -10.1027 -9.9080 -9.9080 -9.7372 -9.7372 -9.7224 -9.7224 -8.5531 -8.5531 -6.3196 -6.3196 -6.2676 -6.2676 -6.2400 -6.2400 1.6984 1.6984 4.2557 4.2557 5.4905 5.4905 6.0441 6.0441 6.1589 6.1589 6.6988 6.6988 6.7266 6.7266 6.9238 6.9238 7.2663 7.2663 8.7895 8.7895 8.7966 8.7966 8.9562 8.9562 14.4621 14.4621 16.7941 16.7941 18.6515 18.6515 18.9101 18.9101 19.1779 19.1779 k = 0.3300-0.0000-0.0000 ( 2673 PWs) bands (ev): -11.2107 -11.2107 -11.1879 -11.1879 -11.1741 -11.1741 -10.8712 -10.8712 -10.1479 -10.1479 -10.1175 -10.1175 -10.1039 -10.1039 -9.9131 -9.9131 -9.7336 -9.7336 -9.7213 -9.7213 -8.5041 -8.5041 -6.3739 -6.3739 -6.2274 -6.2274 -6.2005 -6.2005 1.7206 1.7206 4.1389 4.1389 5.5011 5.5011 6.0033 6.0033 6.1062 6.1062 6.7219 6.7219 6.7390 6.7390 6.8714 6.8714 7.3054 7.3054 8.7684 8.7684 8.7752 8.7752 8.9112 8.9112 14.5721 14.5721 16.7820 16.7820 18.6707 18.6707 19.0233 19.0233 19.2928 19.2928 k = 0.3400-0.0000-0.0000 ( 2673 PWs) bands (ev): -11.2042 -11.2042 -11.2002 -11.2002 -11.1789 -11.1789 -10.8753 -10.8753 -10.1446 -10.1446 -10.1185 -10.1185 -10.1044 -10.1044 -9.9184 -9.9184 -9.7302 -9.7302 -9.7202 -9.7202 -8.4533 -8.4533 -6.4299 -6.4299 -6.1882 -6.1882 -6.1625 -6.1625 1.7451 1.7451 4.0240 4.0240 5.5136 5.5136 5.9586 5.9586 6.0511 6.0511 6.7493 6.7493 6.7557 6.7557 6.8218 6.8218 7.3455 7.3455 8.7468 8.7468 8.7534 8.7534 8.8655 8.8655 14.6794 14.6794 16.7655 16.7655 18.6944 18.6944 19.1339 19.1339 19.4056 19.4056 k = 0.3500-0.0000-0.0000 ( 2672 PWs) bands (ev): -11.2121 -11.2121 -11.2097 -11.2097 -11.1713 -11.1713 -10.8798 -10.8798 -10.1414 -10.1414 -10.1195 -10.1195 -10.1042 -10.1042 -9.9238 -9.9238 -9.7269 -9.7269 -9.7190 -9.7190 -8.4008 -8.4008 -6.4875 -6.4875 -6.1506 -6.1506 -6.1260 -6.1260 1.7722 1.7722 3.9111 3.9111 5.5280 5.5280 5.9121 5.9121 5.9957 5.9957 6.7478 6.7478 6.7819 6.7819 6.7990 6.7990 7.3864 7.3864 8.7248 8.7248 8.7312 8.7312 8.8191 8.8191 14.7841 14.7841 16.7448 16.7448 18.7227 18.7227 19.2417 19.2417 19.5157 19.5157 k = 0.3600-0.0000-0.0000 ( 2662 PWs) bands (ev): -11.2234 -11.2234 -11.2197 -11.2197 -11.1588 -11.1588 -10.8846 -10.8846 -10.1386 -10.1386 -10.1205 -10.1205 -10.1030 -10.1030 -9.9294 -9.9294 -9.7237 -9.7237 -9.7178 -9.7178 -8.3465 -8.3465 -6.5463 -6.5463 -6.1146 -6.1146 -6.0914 -6.0914 1.8017 1.8017 3.8004 3.8004 5.5442 5.5442 5.8651 5.8651 5.9416 5.9416 6.7017 6.7017 6.8140 6.8140 6.8198 6.8198 7.4281 7.4281 8.7026 8.7026 8.7089 8.7089 8.7720 8.7720 14.8860 14.8860 16.7200 16.7200 18.7557 18.7557 19.3463 19.3463 19.6228 19.6228 k = 0.3700-0.0000-0.0000 ( 2662 PWs) bands (ev): -11.2343 -11.2343 -11.2304 -11.2304 -11.1453 -11.1453 -10.8897 -10.8897 -10.1364 -10.1364 -10.1214 -10.1214 -10.1009 -10.1009 -9.9351 -9.9351 -9.7208 -9.7208 -9.7166 -9.7166 -8.2906 -8.2906 -6.6065 -6.6065 -6.0805 -6.0805 -6.0586 -6.0586 1.8340 1.8340 3.6919 3.6919 5.5619 5.5619 5.8188 5.8188 5.8898 5.8898 6.6494 6.6494 6.8453 6.8453 6.8503 6.8503 7.4707 7.4707 8.6802 8.6802 8.6866 8.6866 8.7244 8.7244 14.9852 14.9852 16.6913 16.6913 18.7932 18.7932 19.4474 19.4474 19.7265 19.7265 k = 0.3800-0.0000-0.0000 ( 2674 PWs) bands (ev): -11.2445 -11.2445 -11.2408 -11.2408 -11.1316 -11.1316 -10.8951 -10.8951 -10.1347 -10.1347 -10.1224 -10.1224 -10.0977 -10.0977 -9.9410 -9.9410 -9.7181 -9.7181 -9.7154 -9.7154 -8.2332 -8.2332 -6.6678 -6.6678 -6.0482 -6.0482 -6.0278 -6.0278 1.8689 1.8689 3.5858 3.5858 5.5806 5.5806 5.7740 5.7740 5.8413 5.8413 6.5963 6.5963 6.8761 6.8761 6.8834 6.8834 7.5141 7.5141 8.6580 8.6580 8.6643 8.6643 8.6763 8.6763 15.0817 15.0817 16.6588 16.6588 18.8351 18.8351 19.5447 19.5447 19.8264 19.8264 k = 0.3900-0.0000-0.0000 ( 2678 PWs) bands (ev): -11.2541 -11.2541 -11.2506 -11.2506 -11.1180 -11.1180 -10.9009 -10.9009 -10.1336 -10.1336 -10.1233 -10.1233 -10.0936 -10.0936 -9.9470 -9.9470 -9.7157 -9.7157 -9.7141 -9.7141 -8.1743 -8.1743 -6.7302 -6.7302 -6.0180 -6.0180 -5.9991 -5.9991 1.9066 1.9066 3.4820 3.4820 5.5995 5.5995 5.7314 5.7314 5.7976 5.7976 6.5431 6.5431 6.9072 6.9072 6.9163 6.9163 7.5582 7.5582 8.6278 8.6278 8.6361 8.6361 8.6424 8.6424 15.1754 15.1754 16.6228 16.6228 18.8813 18.8813 19.6379 19.6379 19.9222 19.9222 k = 0.4000-0.0000-0.0000 ( 2682 PWs) bands (ev): -11.2630 -11.2630 -11.2598 -11.2598 -11.1047 -11.1047 -10.9070 -10.9070 -10.1329 -10.1329 -10.1241 -10.1241 -10.0887 -10.0887 -9.9532 -9.9532 -9.7135 -9.7135 -9.7129 -9.7129 -8.1141 -8.1141 -6.7936 -6.7936 -5.9900 -5.9900 -5.9726 -5.9726 1.9471 1.9471 3.3806 3.3806 5.6161 5.6161 5.6914 5.6914 5.7613 5.7613 6.4902 6.4902 6.9379 6.9379 6.9484 6.9484 7.6030 7.6030 8.5789 8.5789 8.6147 8.6147 8.6209 8.6209 15.2664 15.2664 16.5835 16.5835 18.9316 18.9316 19.7262 19.7262 20.0135 20.0135 k = 0.4100-0.0000-0.0000 ( 2686 PWs) bands (ev): -11.2711 -11.2711 -11.2683 -11.2683 -11.0916 -11.0916 -10.9135 -10.9135 -10.1324 -10.1324 -10.1250 -10.1250 -10.0832 -10.0832 -9.9596 -9.9596 -9.7118 -9.7118 -9.7115 -9.7115 -8.0526 -8.0526 -6.8579 -6.8579 -5.9642 -5.9642 -5.9483 -5.9483 1.9906 1.9906 3.2818 3.2818 5.6246 5.6246 5.6546 5.6546 5.7387 5.7387 6.4377 6.4377 6.9678 6.9678 6.9789 6.9789 7.6484 7.6484 8.5296 8.5296 8.5942 8.5942 8.6002 8.6002 15.3548 15.3548 16.5410 16.5410 18.9858 18.9858 19.8086 19.8086 20.0999 20.0999 k = 0.4200-0.0000-0.0000 ( 2690 PWs) bands (ev): -11.2785 -11.2785 -11.2760 -11.2760 -11.0787 -11.0787 -10.9203 -10.9203 -10.1322 -10.1322 -10.1258 -10.1258 -10.0772 -10.0772 -9.9661 -9.9661 -9.7106 -9.7106 -9.7098 -9.7098 -7.9900 -7.9900 -6.9230 -6.9230 -5.9407 -5.9407 -5.9265 -5.9265 2.0369 2.0369 3.1856 3.1856 5.6168 5.6168 5.6216 5.6216 5.7373 5.7373 6.3858 6.3858 6.9963 6.9963 7.0076 7.0076 7.6945 7.6945 8.4801 8.4801 8.5747 8.5747 8.5805 8.5805 15.4405 15.4405 16.4956 16.4956 19.0438 19.0438 19.8830 19.8830 20.1805 20.1805 k = 0.4300-0.0000-0.0000 ( 2694 PWs) bands (ev): -11.2851 -11.2851 -11.2829 -11.2829 -11.0662 -11.0662 -10.9275 -10.9275 -10.1320 -10.1320 -10.1266 -10.1266 -10.0708 -10.0708 -9.9727 -9.9727 -9.7095 -9.7095 -9.7084 -9.7084 -7.9264 -7.9264 -6.9889 -6.9889 -5.9197 -5.9197 -5.9072 -5.9072 2.0863 2.0863 3.0921 3.0921 5.5907 5.5907 5.5983 5.5983 5.7540 5.7540 6.3345 6.3345 7.0230 7.0230 7.0340 7.0340 7.7412 7.7412 8.4303 8.4303 8.5566 8.5566 8.5621 8.5621 15.5238 15.5238 16.4474 16.4474 19.1051 19.1051 19.9437 19.9437 20.2544 20.2544 k = 0.4400-0.0000-0.0000 ( 2702 PWs) bands (ev): -11.2908 -11.2908 -11.2890 -11.2890 -11.0539 -11.0539 -10.9351 -10.9351 -10.1319 -10.1319 -10.1273 -10.1273 -10.0642 -10.0642 -9.9794 -9.9794 -9.7085 -9.7085 -9.7072 -9.7072 -7.8619 -7.8619 -7.0554 -7.0554 -5.9012 -5.9012 -5.8904 -5.8904 2.1386 2.1386 3.0013 3.0013 5.5647 5.5647 5.5751 5.5751 5.7801 5.7801 6.2841 6.2841 7.0474 7.0474 7.0576 7.0576 7.7884 7.7884 8.3804 8.3804 8.5402 8.5402 8.5452 8.5452 15.6046 15.6046 16.3964 16.3964 19.1697 19.1697 19.9765 19.9765 20.2264 20.2264 k = 0.4500-0.0000-0.0000 ( 2698 PWs) bands (ev): -11.2957 -11.2957 -11.2942 -11.2942 -11.0421 -11.0421 -10.9430 -10.9430 -10.1318 -10.1318 -10.1280 -10.1280 -10.0573 -10.0573 -9.9862 -9.9862 -9.7076 -9.7076 -9.7062 -9.7062 -7.7965 -7.7965 -7.1223 -7.1223 -5.8853 -5.8853 -5.8762 -5.8762 2.1940 2.1940 2.9132 2.9132 5.5425 5.5425 5.5529 5.5529 5.8111 5.8111 6.2345 6.2345 7.0690 7.0690 7.0782 7.0782 7.8361 7.8361 8.3304 8.3304 8.5257 8.5257 8.5302 8.5302 15.6830 15.6830 16.3430 16.3430 19.2371 19.2371 19.9618 19.9618 20.2266 20.2266 k = 0.4600-0.0000-0.0000 ( 2698 PWs) bands (ev): -11.2997 -11.2997 -11.2985 -11.2985 -11.0305 -11.0305 -10.9512 -10.9512 -10.1317 -10.1317 -10.1287 -10.1287 -10.0503 -10.0503 -9.9932 -9.9932 -9.7067 -9.7067 -9.7055 -9.7055 -7.7304 -7.7304 -7.1897 -7.1897 -5.8720 -5.8720 -5.8647 -5.8647 2.2523 2.2523 2.8280 2.8280 5.5245 5.5245 5.5336 5.5336 5.8454 5.8454 6.1859 6.1859 7.0876 7.0876 7.0953 7.0953 7.8843 7.8843 8.2803 8.2803 8.5135 8.5135 8.5172 8.5172 15.7590 15.7590 16.2871 16.2871 19.3072 19.3072 19.9085 19.9085 20.2609 20.2609 k = 0.4700-0.0000-0.0000 ( 2694 PWs) bands (ev): -11.3028 -11.3028 -11.3019 -11.3019 -11.0193 -11.0193 -10.9599 -10.9599 -10.1315 -10.1315 -10.1293 -10.1293 -10.0432 -10.0432 -10.0002 -10.0002 -9.7060 -9.7060 -9.7050 -9.7050 -7.6637 -7.6637 -7.2574 -7.2574 -5.8614 -5.8614 -5.8559 -5.8559 2.3138 2.3138 2.7457 2.7457 5.5107 5.5107 5.5179 5.5179 5.8820 5.8820 6.1384 6.1384 7.1027 7.1027 7.1087 7.1087 7.9329 7.9329 8.2303 8.2303 8.5038 8.5038 8.5068 8.5068 15.8327 15.8327 16.2288 16.2288 19.3797 19.3797 19.8388 19.8388 20.3069 20.3069 k = 0.4800-0.0000-0.0000 ( 2694 PWs) bands (ev): -11.3049 -11.3049 -11.3043 -11.3043 -11.0085 -11.0085 -10.9689 -10.9689 -10.1313 -10.1313 -10.1298 -10.1298 -10.0361 -10.0361 -10.0073 -10.0073 -9.7054 -9.7054 -9.7047 -9.7047 -7.5966 -7.5966 -7.3253 -7.3253 -5.8535 -5.8535 -5.8499 -5.8499 2.3782 2.3782 2.6662 2.6662 5.5011 5.5011 5.5060 5.5060 5.9207 5.9207 6.0920 6.0920 7.1141 7.1141 7.1182 7.1182 7.9818 7.9818 8.1803 8.1803 8.4969 8.4969 8.4989 8.4989 15.9042 15.9042 16.1683 16.1683 19.4542 19.4542 19.7632 19.7632 20.3534 20.3534 k = 0.4900-0.0000-0.0000 ( 2694 PWs) bands (ev): -11.3062 -11.3062 -11.3059 -11.3059 -10.9980 -10.9980 -10.9782 -10.9782 -10.1310 -10.1310 -10.1303 -10.1303 -10.0289 -10.0289 -10.0145 -10.0145 -9.7050 -9.7050 -9.7046 -9.7046 -7.5290 -7.5290 -7.3933 -7.3933 -5.8484 -5.8484 -5.8466 -5.8466 2.4457 2.4457 2.5897 2.5897 5.4959 5.4959 5.4984 5.4984 5.9612 5.9612 6.0470 6.0470 7.1214 7.1214 7.1235 7.1235 8.0311 8.0311 8.1304 8.1304 8.4929 8.4929 8.4939 8.4939 15.9735 15.9735 16.1056 16.1056 19.5303 19.5303 19.6856 19.6856 20.3954 20.3954 k = 0.5000-0.0000-0.0000 ( 2694 PWs) bands (ev): -11.3065 -11.3065 -11.3065 -11.3065 -10.9879 -10.9879 -10.9879 -10.9879 -10.1307 -10.1307 -10.1307 -10.1307 -10.0217 -10.0217 -10.0217 -10.0217 -9.7047 -9.7047 -9.7047 -9.7047 -7.4612 -7.4612 -7.4612 -7.4612 -5.8461 -5.8461 -5.8461 -5.8461 2.5162 2.5162 2.5162 2.5162 5.4950 5.4950 5.4950 5.4950 6.0034 6.0034 6.0034 6.0034 7.1246 7.1246 7.1246 7.1246 8.0806 8.0806 8.0806 8.0806 8.4919 8.4919 8.4919 8.4919 16.0406 16.0406 16.0406 16.0406 19.6076 19.6076 19.6076 19.6076 20.4294 20.4294 k = 0.5000-0.0000-0.0000 ( 2694 PWs) bands (ev): -11.3065 -11.3065 -11.3065 -11.3065 -10.9879 -10.9879 -10.9879 -10.9879 -10.1307 -10.1307 -10.1307 -10.1307 -10.0217 -10.0217 -10.0217 -10.0217 -9.7047 -9.7047 -9.7047 -9.7047 -7.4612 -7.4612 -7.4612 -7.4612 -5.8461 -5.8461 -5.8461 -5.8461 2.5162 2.5162 2.5162 2.5162 5.4950 5.4950 5.4950 5.4950 6.0034 6.0034 6.0034 6.0034 7.1246 7.1246 7.1246 7.1246 8.0806 8.0806 8.0806 8.0806 8.4919 8.4919 8.4919 8.4919 16.0406 16.0406 16.0406 16.0406 19.6076 19.6076 19.6076 19.6076 20.4294 20.4294 k = 0.5000 0.0100-0.0000 ( 2694 PWs) bands (ev): -11.3075 -11.3075 -11.3066 -11.3066 -10.9885 -10.9885 -10.9863 -10.9863 -10.1313 -10.1313 -10.1303 -10.1303 -10.0236 -10.0236 -10.0189 -10.0189 -9.7060 -9.7060 -9.7034 -9.7034 -7.4624 -7.4624 -7.4616 -7.4616 -5.8458 -5.8458 -5.8454 -5.8454 2.5160 2.5160 2.5173 2.5173 5.4875 5.4875 5.4985 5.4985 5.9970 5.9970 5.9984 5.9984 7.1280 7.1280 7.1355 7.1355 8.0814 8.0814 8.0818 8.0818 8.4919 8.4919 8.4921 8.4921 16.0403 16.0403 16.0418 16.0418 19.5900 19.5900 19.6143 19.6143 20.4309 20.4309 k = 0.5000 0.0200-0.0000 ( 2690 PWs) bands (ev): -11.3096 -11.3096 -11.3079 -11.3079 -10.9879 -10.9879 -10.9836 -10.9836 -10.1321 -10.1321 -10.1301 -10.1301 -10.0246 -10.0246 -10.0153 -10.0153 -9.7072 -9.7072 -9.7022 -9.7022 -7.4650 -7.4650 -7.4635 -7.4635 -5.8443 -5.8443 -5.8435 -5.8435 2.5166 2.5166 2.5191 2.5191 5.4759 5.4759 5.4981 5.4981 5.9804 5.9804 5.9823 5.9823 7.1455 7.1455 7.1599 7.1599 8.0842 8.0842 8.0850 8.0850 8.4920 8.4920 8.4924 8.4924 16.0407 16.0407 16.0437 16.0437 19.5621 19.5621 19.6098 19.6098 20.4348 20.4349 k = 0.5000 0.0299-0.0000 ( 2686 PWs) bands (ev): -11.3127 -11.3127 -11.3102 -11.3102 -10.9862 -10.9862 -10.9799 -10.9799 -10.1331 -10.1331 -10.1303 -10.1303 -10.0248 -10.0248 -10.0110 -10.0110 -9.7084 -9.7084 -9.7009 -9.7009 -7.4692 -7.4692 -7.4669 -7.4669 -5.8417 -5.8417 -5.8405 -5.8405 2.5180 2.5180 2.5218 2.5218 5.4597 5.4597 5.4937 5.4937 5.9557 5.9557 5.9565 5.9565 7.1757 7.1757 7.1960 7.1960 8.0890 8.0890 8.0902 8.0902 8.4925 8.4925 8.4930 8.4930 16.0418 16.0418 16.0463 16.0463 19.5250 19.5250 19.5944 19.5944 20.4409 20.4409 k = 0.5000 0.0399-0.0000 ( 2686 PWs) bands (ev): -11.3168 -11.3168 -11.3136 -11.3136 -10.9835 -10.9835 -10.9753 -10.9753 -10.1342 -10.1342 -10.1307 -10.1307 -10.0241 -10.0241 -10.0060 -10.0060 -9.7096 -9.7096 -9.6996 -9.6996 -7.4748 -7.4748 -7.4717 -7.4717 -5.8380 -5.8380 -5.8364 -5.8364 2.5203 2.5203 2.5253 2.5253 5.4384 5.4384 5.4849 5.4849 5.9233 5.9233 5.9253 5.9253 7.2167 7.2167 7.2418 7.2418 8.0956 8.0956 8.0972 8.0972 8.4932 8.4932 8.4940 8.4940 16.0437 16.0437 16.0497 16.0497 19.4799 19.4799 19.5691 19.5691 20.4485 20.4485 k = 0.5000 0.0499-0.0000 ( 2690 PWs) bands (ev): -11.3217 -11.3217 -11.3179 -11.3179 -10.9799 -10.9799 -10.9699 -10.9699 -10.1354 -10.1354 -10.1313 -10.1313 -10.0226 -10.0226 -10.0003 -10.0003 -9.7108 -9.7108 -9.6983 -9.6983 -7.4817 -7.4817 -7.4779 -7.4779 -5.8333 -5.8333 -5.8313 -5.8313 2.5234 2.5234 2.5296 2.5296 5.4115 5.4115 5.4712 5.4712 5.8853 5.8853 5.8920 5.8920 7.2664 7.2664 7.2950 7.2950 8.1040 8.1040 8.1059 8.1059 8.4944 8.4944 8.4954 8.4954 16.0463 16.0463 16.0538 16.0538 19.4280 19.4280 19.5350 19.5350 20.4572 20.4572 k = 0.5000 0.0599-0.0000 ( 2686 PWs) bands (ev): -11.3273 -11.3273 -11.3230 -11.3230 -10.9756 -10.9756 -10.9637 -10.9637 -10.1366 -10.1366 -10.1322 -10.1322 -10.0202 -10.0202 -9.9941 -9.9941 -9.7119 -9.7119 -9.6971 -9.6971 -7.4901 -7.4901 -7.4854 -7.4854 -5.8277 -5.8277 -5.8253 -5.8253 2.5273 2.5273 2.5346 2.5346 5.3786 5.3786 5.4516 5.4516 5.8453 5.8453 5.8581 5.8581 7.3226 7.3226 7.3537 7.3537 8.1141 8.1141 8.1163 8.1163 8.4963 8.4963 8.4975 8.4975 16.0497 16.0497 16.0587 16.0587 19.3705 19.3705 19.4932 19.4932 20.4667 20.4667 k = 0.5000 0.0699-0.0000 ( 2684 PWs) bands (ev): -11.3336 -11.3336 -11.3288 -11.3288 -10.9705 -10.9705 -10.9570 -10.9570 -10.1379 -10.1379 -10.1332 -10.1332 -10.0172 -10.0172 -9.9872 -9.9872 -9.7131 -9.7131 -9.6958 -9.6958 -7.4996 -7.4996 -7.4941 -7.4941 -5.8211 -5.8211 -5.8184 -5.8184 2.5321 2.5321 2.5405 2.5405 5.3394 5.3394 5.4255 5.4255 5.8060 5.8060 5.8254 5.8254 7.3833 7.3833 7.4161 7.4161 8.1257 8.1257 8.1281 8.1281 8.4991 8.4991 8.5005 8.5005 16.0539 16.0539 16.0643 16.0643 19.3083 19.3083 19.4451 19.4451 20.4768 20.4768 k = 0.5000 0.0798-0.0000 ( 2684 PWs) bands (ev): -11.3404 -11.3404 -11.3352 -11.3352 -10.9649 -10.9649 -10.9498 -10.9498 -10.1391 -10.1391 -10.1345 -10.1345 -10.0134 -10.0134 -9.9799 -9.9799 -9.7141 -9.7141 -9.6946 -9.6946 -7.5104 -7.5104 -7.5039 -7.5039 -5.8137 -5.8137 -5.8107 -5.8107 2.5377 2.5377 2.5472 2.5472 5.2941 5.2941 5.3921 5.3921 5.7695 5.7695 5.7950 5.7950 7.4470 7.4470 7.4806 7.4806 8.1387 8.1387 8.1413 8.1413 8.5029 8.5029 8.5046 8.5046 16.0588 16.0588 16.0705 16.0705 19.2424 19.2424 19.3918 19.3918 20.4874 20.4874 k = 0.5000 0.0898-0.0000 ( 2694 PWs) bands (ev): -11.3476 -11.3476 -11.3421 -11.3421 -10.9588 -10.9588 -10.9422 -10.9422 -10.1404 -10.1404 -10.1358 -10.1358 -10.0090 -10.0090 -9.9721 -9.9721 -9.7152 -9.7152 -9.6933 -9.6933 -7.5222 -7.5222 -7.5148 -7.5148 -5.8056 -5.8056 -5.8023 -5.8023 2.5442 2.5442 2.5546 2.5546 5.2432 5.2432 5.3512 5.3512 5.7372 5.7372 5.7675 5.7675 7.5121 7.5121 7.5459 7.5459 8.1530 8.1530 8.1558 8.1558 8.5082 8.5082 8.5101 8.5101 16.0644 16.0644 16.0775 16.0775 19.1733 19.1733 19.3343 19.3343 20.4985 20.4985 k = 0.5000 0.0998-0.0000 ( 2694 PWs) bands (ev): -11.3550 -11.3550 -11.3493 -11.3493 -10.9524 -10.9524 -10.9344 -10.9344 -10.1416 -10.1416 -10.1371 -10.1371 -10.0040 -10.0040 -9.9639 -9.9639 -9.7162 -9.7162 -9.6921 -9.6921 -7.5349 -7.5349 -7.5267 -7.5267 -5.7969 -5.7969 -5.7932 -5.7932 2.5515 2.5515 2.5629 2.5629 5.1875 5.1875 5.3034 5.3034 5.7095 5.7095 5.7431 5.7431 7.5773 7.5773 7.6108 7.6108 8.1685 8.1685 8.1715 8.1715 8.5152 8.5152 8.5174 8.5174 16.0707 16.0707 16.0851 16.0851 19.1019 19.1019 19.2734 19.2734 20.5099 20.5099 k = 0.5000 0.1098-0.0000 ( 2690 PWs) bands (ev): -11.3627 -11.3627 -11.3568 -11.3568 -10.9458 -10.9458 -10.9265 -10.9265 -10.1427 -10.1427 -10.1386 -10.1386 -9.9985 -9.9985 -9.9553 -9.9553 -9.7172 -9.7172 -9.6909 -9.6909 -7.5485 -7.5485 -7.5393 -7.5393 -5.7876 -5.7876 -5.7837 -5.7837 2.5597 2.5597 2.5719 2.5719 5.1279 5.1279 5.2498 5.2498 5.6862 5.6862 5.7215 5.7215 7.6412 7.6412 7.6740 7.6740 8.1852 8.1852 8.1885 8.1885 8.5243 8.5243 8.5268 8.5268 16.0777 16.0777 16.0934 16.0934 19.0286 19.0286 19.2100 19.2100 20.5217 20.5217 k = 0.5000 0.1198-0.0000 ( 2694 PWs) bands (ev): -11.3705 -11.3705 -11.3645 -11.3645 -10.9390 -10.9390 -10.9185 -10.9185 -10.1438 -10.1438 -10.1400 -10.1400 -9.9925 -9.9925 -9.9464 -9.9464 -9.7181 -9.7181 -9.6897 -9.6897 -7.5628 -7.5628 -7.5526 -7.5526 -5.7778 -5.7778 -5.7737 -5.7737 2.5688 2.5688 2.5816 2.5816 5.0655 5.0655 5.1917 5.1917 5.6665 5.6665 5.7023 5.7023 7.7027 7.7027 7.7342 7.7342 8.2034 8.2034 8.2070 8.2070 8.5358 8.5358 8.5385 8.5385 16.0854 16.0854 16.1023 16.1023 18.9539 18.9539 19.1445 19.1445 20.5340 20.5340 k = 0.5000 0.1297-0.0000 ( 2698 PWs) bands (ev): -11.3783 -11.3783 -11.3722 -11.3722 -10.9322 -10.9322 -10.9105 -10.9105 -10.1448 -10.1448 -10.1414 -10.1414 -9.9862 -9.9862 -9.9372 -9.9372 -9.7190 -9.7190 -9.6886 -9.6886 -7.5777 -7.5777 -7.5665 -7.5665 -5.7677 -5.7677 -5.7633 -5.7633 2.5787 2.5787 2.5921 2.5921 5.0009 5.0009 5.1306 5.1306 5.6498 5.6498 5.6852 5.6852 7.7603 7.7603 7.7903 7.7903 8.2233 8.2233 8.2273 8.2273 8.5499 8.5499 8.5528 8.5528 16.0938 16.0938 16.1118 16.1118 18.8783 18.8783 19.0777 19.0777 20.5465 20.5465 k = 0.5000 0.1397-0.0000 ( 2698 PWs) bands (ev): -11.3861 -11.3861 -11.3799 -11.3799 -10.9254 -10.9254 -10.9026 -10.9026 -10.1458 -10.1458 -10.1428 -10.1428 -9.9795 -9.9795 -9.9278 -9.9278 -9.7198 -9.7198 -9.6874 -9.6874 -7.5931 -7.5931 -7.5809 -7.5809 -5.7574 -5.7574 -5.7528 -5.7528 2.5894 2.5894 2.6033 2.6033 4.9352 4.9352 5.0674 5.0674 5.6353 5.6353 5.6699 5.6699 7.8129 7.8129 7.8409 7.8409 8.2454 8.2454 8.2500 8.2500 8.5669 8.5669 8.5699 8.5699 16.1029 16.1029 16.1219 16.1219 18.8022 18.8022 19.0099 19.0099 20.5594 20.5594 k = 0.5000 0.1497-0.0000 ( 2704 PWs) bands (ev): -11.3938 -11.3938 -11.3876 -11.3876 -10.9187 -10.9187 -10.8948 -10.8948 -10.1467 -10.1467 -10.1441 -10.1441 -9.9726 -9.9726 -9.9182 -9.9182 -9.7206 -9.7206 -9.6863 -9.6863 -7.6088 -7.6088 -7.5955 -7.5955 -5.7468 -5.7468 -5.7420 -5.7420 2.6009 2.6009 2.6152 2.6152 4.8688 4.8688 5.0032 5.0032 5.6226 5.6226 5.6560 5.6560 7.8594 7.8594 7.8851 7.8851 8.2700 8.2700 8.2754 8.2754 8.5870 8.5870 8.5901 8.5901 16.1126 16.1126 16.1326 16.1326 18.7259 18.7259 18.9417 18.9417 20.5727 20.5727 k = 0.5000 0.1597-0.0000 ( 2698 PWs) bands (ev): -11.4014 -11.4014 -11.3952 -11.3952 -10.9121 -10.9121 -10.8873 -10.8873 -10.1475 -10.1475 -10.1454 -10.1454 -9.9655 -9.9655 -9.9086 -9.9086 -9.7213 -9.7213 -9.6853 -9.6853 -7.6247 -7.6247 -7.6104 -7.6104 -5.7362 -5.7362 -5.7313 -5.7313 2.6131 2.6131 2.6277 2.6277 4.8025 4.8025 4.9388 4.9388 5.6112 5.6112 5.6435 5.6435 7.8988 7.8988 7.9220 7.9220 8.2973 8.2973 8.3036 8.3036 8.6101 8.6101 8.6132 8.6132 16.1230 16.1230 16.1438 16.1438 18.6498 18.6498 18.8735 18.8735 20.5861 20.5861 k = 0.5000 0.1697-0.0000 ( 2698 PWs) bands (ev): -11.4088 -11.4088 -11.4025 -11.4025 -10.9057 -10.9057 -10.8799 -10.8799 -10.1483 -10.1483 -10.1466 -10.1466 -9.9582 -9.9582 -9.8989 -9.8989 -9.7220 -9.7220 -9.6843 -9.6843 -7.6407 -7.6407 -7.6253 -7.6253 -5.7257 -5.7257 -5.7206 -5.7206 2.6261 2.6261 2.6408 2.6408 4.7366 4.7366 4.8747 4.8747 5.6009 5.6009 5.6319 5.6319 7.9309 7.9309 7.9516 7.9516 8.3272 8.3272 8.3344 8.3344 8.6363 8.6363 8.6393 8.6393 16.1340 16.1340 16.1554 16.1554 18.5744 18.5744 18.8056 18.8056 20.5998 20.5998 k = 0.5000 0.1796-0.0000 ( 2698 PWs) bands (ev): -11.4159 -11.4159 -11.4097 -11.4097 -10.8995 -10.8995 -10.8729 -10.8729 -10.1490 -10.1490 -10.1478 -10.1478 -9.9509 -9.9509 -9.8892 -9.8892 -9.7226 -9.7226 -9.6833 -9.6833 -7.6566 -7.6566 -7.6402 -7.6402 -5.7152 -5.7152 -5.7100 -5.7100 2.6398 2.6398 2.6544 2.6544 4.6717 4.6717 4.8115 4.8115 5.5916 5.5916 5.6214 5.6214 7.9559 7.9559 7.9743 7.9743 8.3591 8.3591 8.3670 8.3670 8.6655 8.6655 8.6681 8.6681 16.1455 16.1455 16.1675 16.1675 18.4998 18.4998 18.7384 18.7384 20.6135 20.6135 k = 0.5000 0.1896-0.0000 ( 2706 PWs) bands (ev): -11.4228 -11.4228 -11.4166 -11.4166 -10.8936 -10.8936 -10.8662 -10.8662 -10.1497 -10.1497 -10.1489 -10.1489 -9.9435 -9.9435 -9.8796 -9.8796 -9.7232 -9.7232 -9.6823 -9.6823 -7.6724 -7.6724 -7.6549 -7.6549 -5.7050 -5.7050 -5.6996 -5.6996 2.6541 2.6541 2.6685 2.6685 4.6080 4.6080 4.7496 4.7496 5.5831 5.5831 5.6117 5.6117 7.9747 7.9747 7.9910 7.9910 8.3919 8.3919 8.4005 8.4005 8.6973 8.6973 8.6995 8.6995 16.1576 16.1576 16.1799 16.1799 18.4266 18.4266 18.6724 18.6724 20.6273 20.6273 k = 0.5000 0.1996-0.0000 ( 2698 PWs) bands (ev): -11.4294 -11.4294 -11.4231 -11.4231 -10.8879 -10.8879 -10.8598 -10.8598 -10.1503 -10.1503 -10.1499 -10.1499 -9.9362 -9.9362 -9.8702 -9.8702 -9.7236 -9.7236 -9.6815 -9.6815 -7.6879 -7.6879 -7.6693 -7.6693 -5.6950 -5.6950 -5.6895 -5.6895 2.6689 2.6689 2.6830 2.6830 4.5461 4.5461 4.6895 4.6895 5.5752 5.5752 5.6029 5.6029 7.9883 7.9883 8.0028 8.0028 8.4248 8.4248 8.4337 8.4337 8.7313 8.7313 8.7329 8.7329 16.1701 16.1701 16.1927 16.1927 18.3550 18.3550 18.6078 18.6078 20.6410 20.6410 k = 0.5000 0.2096-0.0000 ( 2698 PWs) bands (ev): -11.4356 -11.4356 -11.4294 -11.4294 -10.8826 -10.8826 -10.8538 -10.8538 -10.1508 -10.1508 -10.1508 -10.1508 -9.9290 -9.9290 -9.8611 -9.8611 -9.7241 -9.7241 -9.6806 -9.6806 -7.7030 -7.7030 -7.6834 -7.6834 -5.6854 -5.6854 -5.6798 -5.6798 2.6842 2.6842 2.6977 2.6977 4.4861 4.4861 4.6313 4.6313 5.5680 5.5680 5.5947 5.5947 7.9976 7.9976 8.0107 8.0107 8.4568 8.4568 8.4659 8.4659 8.7669 8.7669 8.7678 8.7678 16.1830 16.1830 16.2056 16.2056 18.2855 18.2855 18.5451 18.5451 20.6545 20.6545 k = 0.5000 0.2196-0.0000 ( 2702 PWs) bands (ev): -11.4415 -11.4415 -11.4353 -11.4353 -10.8777 -10.8777 -10.8482 -10.8482 -10.1516 -10.1516 -10.1513 -10.1513 -9.9219 -9.9219 -9.8522 -9.8522 -9.7244 -9.7244 -9.6798 -9.6798 -7.7175 -7.7175 -7.6969 -7.6969 -5.6762 -5.6762 -5.6705 -5.6705 2.6997 2.6997 2.7126 2.7126 4.4285 4.4285 4.5756 4.5756 5.5615 5.5615 5.5873 5.5873 8.0037 8.0037 8.0156 8.0156 8.4872 8.4872 8.4963 8.4963 8.8034 8.8034 8.8035 8.8035 16.1962 16.1962 16.2186 16.2186 18.2184 18.2184 18.4846 18.4846 20.6677 20.6677 k = 0.5000 0.2295-0.0000 ( 2698 PWs) bands (ev): -11.4470 -11.4470 -11.4408 -11.4408 -10.8730 -10.8730 -10.8430 -10.8430 -10.1524 -10.1524 -10.1517 -10.1517 -9.9152 -9.9152 -9.8438 -9.8438 -9.7247 -9.7247 -9.6791 -9.6791 -7.7313 -7.7313 -7.7097 -7.7097 -5.6674 -5.6674 -5.6617 -5.6617 2.7155 2.7155 2.7274 2.7274 4.3736 4.3736 4.5226 4.5226 5.5555 5.5555 5.5805 5.5805 8.0074 8.0074 8.0183 8.0183 8.5156 8.5156 8.5247 8.5247 8.8392 8.8392 8.8403 8.8403 16.2096 16.2096 16.2316 16.2316 18.1542 18.1542 18.4268 18.4268 20.6805 20.6805 k = 0.5000 0.2395-0.0000 ( 2700 PWs) bands (ev): -11.4520 -11.4520 -11.4459 -11.4459 -10.8688 -10.8688 -10.8382 -10.8382 -10.1531 -10.1531 -10.1521 -10.1521 -9.9087 -9.9087 -9.8358 -9.8358 -9.7249 -9.7249 -9.6784 -9.6784 -7.7444 -7.7444 -7.7219 -7.7219 -5.6593 -5.6593 -5.6535 -5.6535 2.7311 2.7311 2.7421 2.7421 4.3216 4.3216 4.4727 4.4727 5.5500 5.5500 5.5744 5.5744 8.0092 8.0092 8.0194 8.0194 8.5418 8.5418 8.5508 8.5508 8.8742 8.8742 8.8765 8.8765 16.2230 16.2230 16.2445 16.2445 18.0932 18.0932 18.3721 18.3721 20.6927 20.6927 k = 0.5000 0.2495-0.0000 ( 2696 PWs) bands (ev): -11.4567 -11.4567 -11.4506 -11.4506 -10.8649 -10.8649 -10.8339 -10.8339 -10.1537 -10.1537 -10.1524 -10.1524 -9.9026 -9.9026 -9.8284 -9.8284 -9.7250 -9.7250 -9.6778 -9.6778 -7.7566 -7.7566 -7.7332 -7.7332 -5.6517 -5.6517 -5.6459 -5.6459 2.7466 2.7466 2.7565 2.7565 4.2729 4.2729 4.4261 4.4261 5.5451 5.5451 5.5689 5.5689 8.0098 8.0098 8.0193 8.0193 8.5657 8.5657 8.5746 8.5746 8.9079 8.9079 8.9113 8.9113 16.2363 16.2363 16.2570 16.2570 18.0360 18.0360 18.3208 18.3208 20.7043 20.7043 k = 0.5000 0.2595-0.0000 ( 2696 PWs) bands (ev): -11.4609 -11.4609 -11.4548 -11.4548 -10.8614 -10.8614 -10.8300 -10.8300 -10.1543 -10.1543 -10.1527 -10.1527 -9.8970 -9.8970 -9.8216 -9.8216 -9.7250 -9.7250 -9.6772 -9.6772 -7.7678 -7.7678 -7.7435 -7.7435 -5.6448 -5.6448 -5.6389 -5.6389 2.7616 2.7616 2.7702 2.7702 4.2279 4.2279 4.3832 4.3832 5.5407 5.5407 5.5641 5.5641 8.0094 8.0094 8.0185 8.0185 8.5871 8.5871 8.5959 8.5959 8.9396 8.9396 8.9442 8.9442 16.2493 16.2493 16.2690 16.2690 17.9829 17.9829 18.2734 18.2734 20.7150 20.7150 k = 0.5000 0.2695-0.0000 ( 2692 PWs) bands (ev): -11.4646 -11.4646 -11.4585 -11.4585 -10.8584 -10.8584 -10.8265 -10.8265 -10.1548 -10.1548 -10.1530 -10.1530 -9.8919 -9.8919 -9.8155 -9.8155 -9.7250 -9.7250 -9.6767 -9.6767 -7.7780 -7.7780 -7.7529 -7.7529 -5.6386 -5.6386 -5.6327 -5.6327 2.7759 2.7759 2.7832 2.7832 4.1870 4.1870 4.3443 4.3443 5.5369 5.5369 5.5598 5.5598 8.0085 8.0085 8.0172 8.0172 8.6061 8.6061 8.6147 8.6147 8.9688 8.9688 8.9745 8.9745 16.2617 16.2617 16.2804 16.2804 17.9345 17.9345 18.2302 18.2302 20.7249 20.7249 k = 0.5000 0.2794-0.0000 ( 2696 PWs) bands (ev): -11.4679 -11.4679 -11.4618 -11.4618 -10.8557 -10.8557 -10.8235 -10.8235 -10.1552 -10.1552 -10.1532 -10.1532 -9.8873 -9.8873 -9.8101 -9.8101 -9.7249 -9.7249 -9.6763 -9.6763 -7.7869 -7.7869 -7.7612 -7.7612 -5.6332 -5.6332 -5.6272 -5.6272 2.7891 2.7891 2.7951 2.7951 4.1504 4.1504 4.3097 4.3097 5.5336 5.5336 5.5561 5.5561 8.0073 8.0073 8.0157 8.0157 8.6226 8.6226 8.6312 8.6312 8.9950 8.9950 9.0017 9.0017 16.2732 16.2732 16.2908 16.2908 17.8913 17.8913 18.1918 18.1918 20.7337 20.7337 k = 0.5000 0.2894-0.0000 ( 2704 PWs) bands (ev): -11.4707 -11.4707 -11.4646 -11.4646 -10.8534 -10.8534 -10.8210 -10.8210 -10.1555 -10.1555 -10.1534 -10.1534 -9.8834 -9.8834 -9.8054 -9.8054 -9.7248 -9.7248 -9.6759 -9.6759 -7.7947 -7.7947 -7.7683 -7.7683 -5.6285 -5.6285 -5.6226 -5.6226 2.8011 2.8011 2.8058 2.8058 4.1186 4.1186 4.2797 4.2797 5.5308 5.5308 5.5530 5.5530 8.0059 8.0059 8.0141 8.0141 8.6366 8.6366 8.6451 8.6451 9.0177 9.0177 9.0253 9.0253 16.2837 16.2837 16.3001 16.3001 17.8536 17.8536 18.1585 18.1585 20.7413 20.7413 k = 0.5000 0.2994-0.0000 ( 2704 PWs) bands (ev): -11.4729 -11.4729 -11.4669 -11.4669 -10.8515 -10.8515 -10.8189 -10.8189 -10.1558 -10.1558 -10.1535 -10.1535 -9.8801 -9.8801 -9.8016 -9.8016 -9.7247 -9.7247 -9.6756 -9.6756 -7.8011 -7.8011 -7.7743 -7.7743 -5.6246 -5.6246 -5.6187 -5.6187 2.8114 2.8114 2.8149 2.8149 4.0920 4.0920 4.2548 4.2548 5.5285 5.5285 5.5505 5.5505 8.0046 8.0046 8.0126 8.0126 8.6481 8.6481 8.6565 8.6565 9.0367 9.0367 9.0452 9.0452 16.2928 16.2928 16.3081 16.3081 17.8221 17.8221 18.1307 18.1307 20.7477 20.7477 k = 0.5000 0.3094-0.0000 ( 2694 PWs) bands (ev): -11.4747 -11.4747 -11.4687 -11.4687 -10.8501 -10.8501 -10.8173 -10.8173 -10.1560 -10.1560 -10.1536 -10.1536 -9.8774 -9.8774 -9.7986 -9.7986 -9.7245 -9.7245 -9.6753 -9.6753 -7.8062 -7.8062 -7.7789 -7.7789 -5.6216 -5.6216 -5.6156 -5.6156 2.8198 2.8198 2.8223 2.8223 4.0709 4.0709 4.2350 4.2350 5.5267 5.5267 5.5485 5.5485 8.0035 8.0035 8.0114 8.0114 8.6571 8.6571 8.6654 8.6654 9.0518 9.0518 9.0609 9.0609 16.3002 16.3002 16.3145 16.3145 17.7970 17.7970 18.1086 18.1086 20.7528 20.7528 k = 0.5000 0.3194-0.0000 ( 2694 PWs) bands (ev): -11.4760 -11.4760 -11.4700 -11.4700 -10.8490 -10.8490 -10.8161 -10.8161 -10.1562 -10.1562 -10.1537 -10.1537 -9.8756 -9.8756 -9.7965 -9.7965 -9.7244 -9.7244 -9.6752 -9.6752 -7.8098 -7.8098 -7.7823 -7.7823 -5.6194 -5.6194 -5.6134 -5.6134 2.8260 2.8260 2.8277 2.8277 4.0556 4.0556 4.2207 4.2207 5.5254 5.5254 5.5471 5.5471 8.0027 8.0027 8.0104 8.0104 8.6635 8.6635 8.6718 8.6718 9.0627 9.0627 9.0722 9.0722 16.3056 16.3056 16.3192 16.3192 17.7788 17.7788 18.0927 18.0927 20.7565 20.7565 k = 0.5000 0.3293-0.0000 ( 2700 PWs) bands (ev): -11.4768 -11.4768 -11.4707 -11.4707 -10.8484 -10.8484 -10.8154 -10.8154 -10.1563 -10.1563 -10.1538 -10.1538 -9.8744 -9.8744 -9.7952 -9.7952 -9.7244 -9.7244 -9.6751 -9.6751 -7.8120 -7.8120 -7.7843 -7.7843 -5.6181 -5.6181 -5.6121 -5.6121 2.8298 2.8298 2.8311 2.8311 4.0462 4.0462 4.2121 4.2121 5.5247 5.5247 5.5463 5.5463 8.0021 8.0021 8.0098 8.0098 8.6674 8.6674 8.6757 8.6757 9.0692 9.0692 9.0791 9.0791 16.3090 16.3090 16.3221 16.3221 17.7678 17.7678 18.0830 18.0830 20.7587 20.7587 k = 0.5000 0.3393-0.0000 ( 2704 PWs) bands (ev): -11.4770 -11.4770 -11.4710 -11.4710 -10.8482 -10.8482 -10.8152 -10.8152 -10.1563 -10.1563 -10.1538 -10.1538 -9.8740 -9.8740 -9.7947 -9.7947 -9.7243 -9.7243 -9.6750 -9.6750 -7.8127 -7.8127 -7.7850 -7.7850 -5.6177 -5.6177 -5.6117 -5.6117 2.8311 2.8311 2.8322 2.8322 4.0431 4.0431 4.2092 4.2092 5.5244 5.5244 5.5460 5.5460 8.0019 8.0019 8.0096 8.0096 8.6687 8.6687 8.6769 8.6769 9.0715 9.0715 9.0814 9.0814 16.3102 16.3102 16.3231 16.3231 17.7641 17.7641 18.0798 18.0798 20.7595 20.7595 k = 0.5000 0.3393-0.0000 ( 2704 PWs) bands (ev): -11.4770 -11.4770 -11.4710 -11.4710 -10.8482 -10.8482 -10.8152 -10.8152 -10.1563 -10.1563 -10.1538 -10.1538 -9.8740 -9.8740 -9.7947 -9.7947 -9.7243 -9.7243 -9.6750 -9.6750 -7.8127 -7.8127 -7.7850 -7.7850 -5.6177 -5.6177 -5.6117 -5.6117 2.8311 2.8311 2.8322 2.8322 4.0431 4.0431 4.2092 4.2092 5.5244 5.5244 5.5460 5.5460 8.0019 8.0019 8.0096 8.0096 8.6687 8.6687 8.6769 8.6769 9.0715 9.0715 9.0814 9.0814 16.3102 16.3102 16.3231 16.3231 17.7641 17.7641 18.0798 18.0798 20.7595 20.7595 k = 0.4900 0.3393-0.0000 ( 2700 PWs) bands (ev): -11.4766 -11.4766 -11.4706 -11.4706 -10.8483 -10.8483 -10.8154 -10.8154 -10.1563 -10.1563 -10.1538 -10.1538 -9.8742 -9.8742 -9.7950 -9.7950 -9.7245 -9.7245 -9.6752 -9.6752 -7.8132 -7.8132 -7.7854 -7.7854 -5.6183 -5.6183 -5.6123 -5.6123 2.8321 2.8321 2.8332 2.8332 4.0438 4.0438 4.2098 4.2098 5.5261 5.5261 5.5476 5.5476 8.0025 8.0025 8.0101 8.0101 8.6687 8.6687 8.6769 8.6769 9.0707 9.0707 9.0807 9.0807 16.3085 16.3085 16.3212 16.3212 17.7665 17.7665 18.0819 18.0819 20.7545 20.7545 k = 0.4800 0.3393-0.0000 ( 2702 PWs) bands (ev): -11.4753 -11.4753 -11.4694 -11.4694 -10.8485 -10.8485 -10.8159 -10.8159 -10.1565 -10.1565 -10.1538 -10.1538 -9.8749 -9.8749 -9.7959 -9.7959 -9.7252 -9.7252 -9.6756 -9.6756 -7.8146 -7.8146 -7.7868 -7.7868 -5.6200 -5.6200 -5.6141 -5.6141 2.8352 2.8352 2.8362 2.8362 4.0460 4.0460 4.2118 4.2118 5.5309 5.5309 5.5525 5.5525 8.0041 8.0041 8.0117 8.0117 8.6688 8.6688 8.6770 8.6770 9.0684 9.0684 9.0786 9.0786 16.3033 16.3033 16.3156 16.3156 17.7737 17.7737 18.0881 18.0881 20.7398 20.7398 k = 0.4700 0.3393-0.0000 ( 2710 PWs) bands (ev): -11.4731 -11.4731 -11.4673 -11.4673 -10.8489 -10.8489 -10.8168 -10.8168 -10.1568 -10.1568 -10.1538 -10.1538 -9.8759 -9.8759 -9.7974 -9.7974 -9.7263 -9.7263 -9.6763 -9.6763 -7.8170 -7.8170 -7.7890 -7.7890 -5.6230 -5.6230 -5.6171 -5.6171 2.8404 2.8404 2.8412 2.8412 4.0495 4.0495 4.2150 4.2150 5.5391 5.5391 5.5607 5.5607 8.0068 8.0068 8.0144 8.0144 8.6689 8.6689 8.6770 8.6770 9.0647 9.0647 9.0750 9.0750 16.2948 16.2948 16.3062 16.3062 17.7856 17.7856 18.0984 18.0984 20.7156 20.7156 k = 0.4600 0.3393-0.0000 ( 2710 PWs) bands (ev): -11.4700 -11.4700 -11.4645 -11.4645 -10.8495 -10.8495 -10.8181 -10.8181 -10.1572 -10.1572 -10.1537 -10.1537 -9.8772 -9.8772 -9.7996 -9.7996 -9.7277 -9.7277 -9.6773 -9.6773 -7.8202 -7.8202 -7.7921 -7.7921 -5.6270 -5.6270 -5.6214 -5.6214 2.8475 2.8475 2.8481 2.8481 4.0544 4.0544 4.2195 4.2195 5.5506 5.5506 5.5722 5.5722 8.0105 8.0105 8.0180 8.0180 8.6691 8.6691 8.6770 8.6770 9.0595 9.0595 9.0701 9.0701 16.2830 16.2830 16.2933 16.2933 17.8020 17.8020 18.1127 18.1127 20.6825 20.6825 k = 0.4500 0.3393-0.0000 ( 2702 PWs) bands (ev): -11.4661 -11.4661 -11.4609 -11.4609 -10.8503 -10.8503 -10.8197 -10.8197 -10.1577 -10.1577 -10.1537 -10.1537 -9.8790 -9.8790 -9.8024 -9.8024 -9.7294 -9.7294 -9.6785 -9.6785 -7.8244 -7.8244 -7.7960 -7.7960 -5.6323 -5.6323 -5.6268 -5.6268 2.8566 2.8566 2.8570 2.8570 4.0606 4.0606 4.2252 4.2252 5.5655 5.5655 5.5870 5.5870 8.0152 8.0152 8.0226 8.0226 8.6693 8.6693 8.6771 8.6771 9.0529 9.0529 9.0639 9.0639 16.2679 16.2679 16.2769 16.2769 17.8229 17.8229 18.1309 18.1309 20.6410 20.6410 k = 0.4400 0.3393-0.0000 ( 2690 PWs) bands (ev): -11.4613 -11.4613 -11.4565 -11.4565 -10.8512 -10.8512 -10.8217 -10.8217 -10.1584 -10.1584 -10.1537 -10.1537 -9.8811 -9.8811 -9.8060 -9.8060 -9.7312 -9.7312 -9.6799 -9.6799 -7.8295 -7.8295 -7.8009 -7.8009 -5.6386 -5.6386 -5.6334 -5.6334 2.8676 2.8676 2.8677 2.8677 4.0682 4.0682 4.2321 4.2321 5.5838 5.5838 5.6053 5.6053 8.0207 8.0207 8.0280 8.0280 8.6695 8.6695 8.6771 8.6771 9.0449 9.0449 9.0564 9.0564 16.2496 16.2496 16.2571 16.2571 17.8481 17.8481 18.1528 18.1528 20.5919 20.5919 k = 0.4300 0.3393-0.0000 ( 2692 PWs) bands (ev): -11.4557 -11.4557 -11.4514 -11.4514 -10.8522 -10.8522 -10.8241 -10.8241 -10.1591 -10.1591 -10.1537 -10.1537 -9.8834 -9.8834 -9.8103 -9.8103 -9.7332 -9.7332 -9.6815 -9.6815 -7.8356 -7.8356 -7.8066 -7.8066 -5.6461 -5.6461 -5.6411 -5.6411 2.8801 2.8801 2.8804 2.8804 4.0771 4.0771 4.2401 4.2401 5.6056 5.6056 5.6269 5.6269 8.0270 8.0270 8.0342 8.0342 8.6697 8.6697 8.6772 8.6772 9.0357 9.0357 9.0476 9.0476 16.2281 16.2281 16.2340 16.2340 17.8772 17.8772 18.1782 18.1782 20.5356 20.5356 k = 0.4200 0.3393-0.0000 ( 2690 PWs) bands (ev): -11.4493 -11.4493 -11.4456 -11.4456 -10.8534 -10.8534 -10.8268 -10.8268 -10.1600 -10.1600 -10.1537 -10.1537 -9.8860 -9.8860 -9.8154 -9.8154 -9.7351 -9.7351 -9.6834 -9.6834 -7.8425 -7.8425 -7.8132 -7.8132 -5.6547 -5.6547 -5.6500 -5.6500 2.8943 2.8943 2.8950 2.8950 4.0873 4.0873 4.2494 4.2494 5.6310 5.6310 5.6521 5.6521 8.0340 8.0340 8.0410 8.0410 8.6700 8.6700 8.6772 8.6772 9.0252 9.0252 9.0378 9.0378 16.2035 16.2035 16.2078 16.2078 17.9102 17.9102 18.2069 18.2069 20.4730 20.4730 k = 0.4100 0.3393-0.0000 ( 2690 PWs) bands (ev): -11.4422 -11.4422 -11.4390 -11.4390 -10.8547 -10.8547 -10.8300 -10.8300 -10.1611 -10.1611 -10.1537 -10.1537 -9.8889 -9.8889 -9.8213 -9.8213 -9.7370 -9.7370 -9.6853 -9.6853 -7.8503 -7.8503 -7.8206 -7.8206 -5.6643 -5.6643 -5.6599 -5.6599 2.9099 2.9099 2.9111 2.9111 4.0988 4.0988 4.2598 4.2598 5.6599 5.6599 5.6808 5.6808 8.0416 8.0416 8.0483 8.0483 8.6702 8.6702 8.6771 8.6771 9.0137 9.0137 9.0269 9.0269 16.1760 16.1760 16.1786 16.1786 17.9468 17.9468 18.2387 18.2387 20.4046 20.4046 k = 0.4000 0.3393-0.0000 ( 2690 PWs) bands (ev): -11.4342 -11.4342 -11.4319 -11.4319 -10.8562 -10.8562 -10.8335 -10.8335 -10.1623 -10.1623 -10.1537 -10.1537 -9.8918 -9.8918 -9.8280 -9.8280 -9.7388 -9.7388 -9.6874 -9.6874 -7.8590 -7.8590 -7.8289 -7.8289 -5.6750 -5.6750 -5.6709 -5.6709 2.9270 2.9270 2.9286 2.9286 4.1117 4.1117 4.2714 4.2714 5.6925 5.6925 5.7130 5.7130 8.0496 8.0496 8.0560 8.0560 8.6702 8.6702 8.6769 8.6769 9.0013 9.0013 9.0152 9.0152 16.1456 16.1456 16.1466 16.1466 17.9867 17.9867 18.2732 18.2732 20.3311 20.3311 k = 0.3900 0.3393-0.0000 ( 2690 PWs) bands (ev): -11.4256 -11.4256 -11.4241 -11.4241 -10.8578 -10.8578 -10.8375 -10.8375 -10.1636 -10.1636 -10.1537 -10.1537 -9.8949 -9.8949 -9.8354 -9.8354 -9.7404 -9.7404 -9.6897 -9.6897 -7.8686 -7.8686 -7.8380 -7.8380 -5.6867 -5.6867 -5.6829 -5.6829 2.9453 2.9453 2.9474 2.9474 4.1262 4.1262 4.2843 4.2843 5.7287 5.7287 5.7487 5.7487 8.0580 8.0580 8.0640 8.0640 8.6700 8.6700 8.6764 8.6764 8.9882 8.9882 9.0028 9.0028 16.1118 16.1118 16.1123 16.1123 18.0297 18.0297 18.3102 18.3102 20.2529 20.2529 k = 0.3800 0.3393-0.0000 ( 2694 PWs) bands (ev): -11.4163 -11.4163 -11.4159 -11.4159 -10.8594 -10.8594 -10.8418 -10.8418 -10.1651 -10.1651 -10.1537 -10.1537 -9.8980 -9.8980 -9.8434 -9.8434 -9.7419 -9.7419 -9.6919 -9.6919 -7.8791 -7.8791 -7.8479 -7.8479 -5.6994 -5.6994 -5.6959 -5.6959 2.9646 2.9646 2.9673 2.9673 4.1422 4.1422 4.2987 4.2987 5.7685 5.7685 5.7880 5.7880 8.0665 8.0665 8.0721 8.0721 8.6693 8.6693 8.6755 8.6755 8.9747 8.9747 8.9900 8.9900 16.0744 16.0744 16.0763 16.0763 18.0756 18.0756 18.3492 18.3492 20.1706 20.1706 k = 0.3700 0.3393-0.0000 ( 2694 PWs) bands (ev): -11.4071 -11.4071 -11.4063 -11.4063 -10.8612 -10.8612 -10.8465 -10.8465 -10.1668 -10.1668 -10.1538 -10.1538 -9.9010 -9.9010 -9.8520 -9.8520 -9.7432 -9.7432 -9.6943 -9.6943 -7.8904 -7.8904 -7.8586 -7.8586 -5.7130 -5.7130 -5.7099 -5.7099 2.9847 2.9847 2.9880 2.9880 4.1600 4.1600 4.3146 4.3146 5.8118 5.8118 5.8306 5.8306 8.0750 8.0750 8.0802 8.0802 8.6681 8.6681 8.6741 8.6741 8.9610 8.9610 8.9769 8.9769 16.0344 16.0344 16.0376 16.0376 18.1240 18.1240 18.3899 18.3899 20.0847 20.0847 k = 0.3600 0.3393-0.0000 ( 2686 PWs) bands (ev): -11.3979 -11.3979 -11.3958 -11.3958 -10.8631 -10.8631 -10.8517 -10.8517 -10.1685 -10.1685 -10.1538 -10.1538 -9.9040 -9.9040 -9.8610 -9.8610 -9.7443 -9.7443 -9.6967 -9.6967 -7.9025 -7.9025 -7.8702 -7.8702 -5.7275 -5.7275 -5.7247 -5.7247 3.0053 3.0053 3.0093 3.0093 4.1797 4.1797 4.3323 4.3323 5.8586 5.8586 5.8767 5.8767 8.0835 8.0835 8.0881 8.0881 8.6658 8.6658 8.6718 8.6718 8.9476 8.9476 8.9640 8.9640 15.9920 15.9920 15.9963 15.9963 18.1747 18.1747 18.4316 18.4316 19.9957 19.9957 k = 0.3500 0.3393-0.0000 ( 2688 PWs) bands (ev): -11.3883 -11.3883 -11.3847 -11.3847 -10.8649 -10.8649 -10.8572 -10.8572 -10.1704 -10.1704 -10.1539 -10.1539 -9.9068 -9.9068 -9.8703 -9.8703 -9.7453 -9.7453 -9.6991 -9.6991 -7.9155 -7.9155 -7.8825 -7.8825 -5.7428 -5.7428 -5.7403 -5.7403 3.0262 3.0262 3.0308 3.0308 4.2016 4.2016 4.3519 4.3519 5.9087 5.9087 5.9259 5.9259 8.0918 8.0918 8.0958 8.0958 8.6622 8.6622 8.6683 8.6683 8.9349 8.9349 8.9517 8.9517 15.9472 15.9472 15.9525 15.9525 18.2274 18.2274 18.4737 18.4737 19.9042 19.9042 k = 0.3400 0.3393-0.0000 ( 2692 PWs) bands (ev): -11.3784 -11.3784 -11.3731 -11.3731 -10.8669 -10.8669 -10.8631 -10.8631 -10.1724 -10.1724 -10.1539 -10.1539 -9.9093 -9.9093 -9.8799 -9.8799 -9.7461 -9.7461 -9.7016 -9.7016 -7.9293 -7.9293 -7.8956 -7.8956 -5.7588 -5.7588 -5.7566 -5.7566 3.0470 3.0470 3.0524 3.0524 4.2260 4.2260 4.3739 4.3739 5.9620 5.9620 5.9783 5.9783 8.0998 8.0998 8.1030 8.1030 8.6568 8.6568 8.6632 8.6632 8.9235 8.9235 8.9404 8.9404 15.9001 15.9001 15.9062 15.9062 18.2814 18.2814 18.5153 18.5153 19.8108 19.8108 k = 0.3300 0.3393-0.0000 ( 2682 PWs) bands (ev): -11.3684 -11.3684 -11.3610 -11.3610 -10.8693 -10.8693 -10.8688 -10.8688 -10.1744 -10.1744 -10.1539 -10.1539 -9.9116 -9.9116 -9.8897 -9.8897 -9.7467 -9.7467 -9.7040 -9.7040 -7.9438 -7.9438 -7.9095 -7.9095 -5.7756 -5.7756 -5.7737 -5.7737 3.0674 3.0674 3.0737 3.0737 4.2531 4.2531 4.3984 4.3984 6.0183 6.0183 6.0336 6.0336 8.1074 8.1074 8.1098 8.1098 8.6491 8.6491 8.6562 8.6562 8.9139 8.9139 8.9307 8.9307 15.8508 15.8508 15.8576 15.8576 18.3364 18.3364 18.5550 18.5550 19.7164 19.7164 k = 0.3200 0.3393-0.0000 ( 2688 PWs) bands (ev): -11.3582 -11.3582 -11.3487 -11.3487 -10.8759 -10.8759 -10.8707 -10.8707 -10.1765 -10.1765 -10.1539 -10.1539 -9.9136 -9.9136 -9.8994 -9.8994 -9.7473 -9.7473 -9.7064 -9.7064 -7.9591 -7.9591 -7.9241 -7.9241 -5.7930 -5.7930 -5.7913 -5.7913 3.0872 3.0872 3.0944 3.0944 4.2832 4.2832 4.4258 4.4258 6.0774 6.0774 6.0916 6.0916 8.1145 8.1145 8.1159 8.1159 8.6387 8.6387 8.6467 8.6467 8.9066 8.9066 8.9229 8.9229 15.7995 15.7995 15.8068 15.8068 18.3914 18.3914 18.5913 18.5913 19.6219 19.6219 k = 0.3100 0.3393-0.0000 ( 2688 PWs) bands (ev): -11.3480 -11.3480 -11.3360 -11.3360 -10.8828 -10.8828 -10.8725 -10.8725 -10.1786 -10.1786 -10.1538 -10.1538 -9.9152 -9.9152 -9.9091 -9.9091 -9.7477 -9.7477 -9.7089 -9.7089 -7.9752 -7.9752 -7.9394 -7.9394 -5.8109 -5.8109 -5.8095 -5.8095 3.1061 3.1061 3.1141 3.1141 4.3166 4.3166 4.4562 4.4562 6.1391 6.1391 6.1521 6.1521 8.1210 8.1210 8.1213 8.1213 8.6252 8.6252 8.6345 8.6345 8.9020 8.9020 8.9174 8.9174 15.7461 15.7461 15.7538 15.7538 18.4452 18.4452 18.6219 18.6219 19.5288 19.5288 k = 0.3000 0.3393-0.0000 ( 2692 PWs) bands (ev): -11.3378 -11.3378 -11.3231 -11.3231 -10.8899 -10.8899 -10.8742 -10.8742 -10.1807 -10.1807 -10.1537 -10.1537 -9.9186 -9.9186 -9.9164 -9.9164 -9.7480 -9.7480 -9.7113 -9.7113 -7.9919 -7.9919 -7.9554 -7.9554 -5.8294 -5.8294 -5.8281 -5.8281 3.1237 3.1237 3.1328 3.1328 4.3534 4.3534 4.4901 4.4901 6.2031 6.2031 6.2149 6.2149 8.1260 8.1260 8.1268 8.1268 8.6087 8.6087 8.6194 8.6194 8.9001 8.9001 8.9145 8.9145 15.6909 15.6909 15.6988 15.6988 18.4957 18.4957 18.6440 18.6440 19.4392 19.4392 k = 0.2900 0.3393-0.0000 ( 2698 PWs) bands (ev): -11.3278 -11.3278 -11.3102 -11.3102 -10.8972 -10.8972 -10.8757 -10.8757 -10.1826 -10.1826 -10.1534 -10.1534 -9.9279 -9.9279 -9.9172 -9.9172 -9.7481 -9.7481 -9.7136 -9.7136 -8.0093 -8.0093 -7.9722 -7.9722 -5.8482 -5.8482 -5.8472 -5.8472 3.1399 3.1399 3.1500 3.1500 4.3940 4.3940 4.5275 4.5275 6.2691 6.2691 6.2796 6.2796 8.1298 8.1298 8.1320 8.1320 8.5892 8.5892 8.6015 8.6015 8.9010 8.9010 8.9141 8.9141 15.6340 15.6340 15.6420 15.6420 18.5399 18.5399 18.6541 18.6541 19.3565 19.3565 k = 0.2800 0.3393-0.0000 ( 2694 PWs) bands (ev): -11.3181 -11.3181 -11.2972 -11.2972 -10.9047 -10.9047 -10.8771 -10.8771 -10.1845 -10.1845 -10.1530 -10.1530 -9.9369 -9.9369 -9.9175 -9.9175 -9.7482 -9.7482 -9.7159 -9.7159 -8.0274 -8.0274 -7.9895 -7.9895 -5.8674 -5.8674 -5.8665 -5.8665 3.1545 3.1545 3.1656 3.1656 4.4384 4.4384 4.5687 4.5687 6.3368 6.3368 6.3460 6.3460 8.1326 8.1326 8.1364 8.1364 8.5671 8.5671 8.5809 8.5809 8.9043 8.9043 8.9162 8.9162 15.5754 15.5754 15.5835 15.5835 18.5727 18.5727 18.6489 18.6489 19.2860 19.2860 k = 0.2700 0.3393-0.0000 ( 2686 PWs) bands (ev): -11.3088 -11.3088 -11.2843 -11.2843 -10.9122 -10.9122 -10.8782 -10.8782 -10.1862 -10.1862 -10.1524 -10.1524 -9.9456 -9.9456 -9.9174 -9.9174 -9.7482 -9.7482 -9.7182 -9.7182 -8.0461 -8.0461 -8.0075 -8.0075 -5.8868 -5.8868 -5.8860 -5.8860 3.1674 3.1674 3.1795 3.1795 4.4868 4.4868 4.6139 4.6139 6.4059 6.4059 6.4137 6.4137 8.1344 8.1344 8.1399 8.1399 8.5429 8.5429 8.5580 8.5580 8.9098 8.9098 8.9205 8.9205 15.5155 15.5155 15.5234 15.5234 18.5869 18.5869 18.6260 18.6260 19.2350 19.2350 k = 0.2600 0.3393-0.0000 ( 2686 PWs) bands (ev): -11.2999 -11.2999 -11.2717 -11.2717 -10.9196 -10.9196 -10.8791 -10.8791 -10.1876 -10.1876 -10.1516 -10.1516 -9.9537 -9.9537 -9.9168 -9.9168 -9.7480 -9.7480 -9.7205 -9.7205 -8.0654 -8.0654 -8.0261 -8.0261 -5.9064 -5.9064 -5.9057 -5.9057 3.1786 3.1786 3.1916 3.1916 4.5392 4.5392 4.6630 4.6630 6.4760 6.4760 6.4824 6.4824 8.1349 8.1349 8.1425 8.1425 8.5170 8.5170 8.5331 8.5331 8.9172 8.9172 8.9266 8.9266 15.4543 15.4543 15.4620 15.4620 18.5753 18.5753 18.5852 18.5852 19.2109 19.2109 k = 0.2500 0.3393-0.0000 ( 2702 PWs) bands (ev): -11.2916 -11.2916 -11.2594 -11.2594 -10.9269 -10.9269 -10.8796 -10.8796 -10.1888 -10.1888 -10.1505 -10.1505 -9.9615 -9.9615 -9.9158 -9.9158 -9.7478 -9.7478 -9.7227 -9.7227 -8.0851 -8.0851 -8.0453 -8.0453 -5.9260 -5.9260 -5.9254 -5.9254 3.1879 3.1879 3.2018 3.2018 4.5954 4.5954 4.7161 4.7161 6.5467 6.5467 6.5516 6.5516 8.1339 8.1339 8.1440 8.1440 8.4901 8.4901 8.5069 8.5069 8.9260 8.9260 8.9343 8.9343 15.3920 15.3920 15.3994 15.3994 18.5283 18.5283 18.5356 18.5356 19.2163 19.2163 k = 0.2400 0.3393-0.0000 ( 2698 PWs) bands (ev): -11.2839 -11.2839 -11.2477 -11.2477 -10.9339 -10.9339 -10.8799 -10.8799 -10.1896 -10.1896 -10.1491 -10.1491 -9.9687 -9.9687 -9.9144 -9.9144 -9.7474 -9.7474 -9.7248 -9.7248 -8.1054 -8.1054 -8.0650 -8.0650 -5.9456 -5.9456 -5.9451 -5.9451 3.1955 3.1955 3.2102 3.2102 4.6556 4.6556 4.7731 4.7731 6.6176 6.6176 6.6210 6.6210 8.1311 8.1311 8.1442 8.1442 8.4629 8.4629 8.4799 8.4799 8.9360 8.9360 8.9433 8.9433 15.3288 15.3288 15.3359 15.3359 18.4582 18.4582 18.4723 18.4723 19.2468 19.2468 k = 0.2300 0.3393-0.0000 ( 2702 PWs) bands (ev): -11.2770 -11.2770 -11.2366 -11.2366 -10.9404 -10.9404 -10.8798 -10.8798 -10.1902 -10.1902 -10.1474 -10.1474 -9.9753 -9.9753 -9.9126 -9.9126 -9.7470 -9.7470 -9.7269 -9.7269 -8.1260 -8.1260 -8.0851 -8.0851 -5.9652 -5.9652 -5.9647 -5.9647 3.2014 3.2014 3.2167 3.2167 4.7195 4.7195 4.8339 4.8339 6.6882 6.6882 6.6901 6.6901 8.1260 8.1260 8.1427 8.1427 8.4363 8.4363 8.4528 8.4528 8.9469 8.9469 8.9533 8.9533 15.2651 15.2651 15.2716 15.2716 18.3782 18.3782 18.3926 18.3926 19.2954 19.2954 k = 0.2200 0.3393-0.0000 ( 2702 PWs) bands (ev): -11.2708 -11.2708 -11.2265 -11.2265 -10.9462 -10.9462 -10.8793 -10.8793 -10.1903 -10.1903 -10.1452 -10.1452 -9.9814 -9.9814 -9.9104 -9.9104 -9.7464 -9.7464 -9.7289 -9.7289 -8.1470 -8.1470 -8.1057 -8.1057 -5.9845 -5.9845 -5.9840 -5.9840 3.2058 3.2058 3.2216 3.2216 4.7870 4.7870 4.8983 4.8983 6.7581 6.7581 6.7584 6.7584 8.1179 8.1179 8.1390 8.1390 8.4113 8.4113 8.4265 8.4265 8.9585 8.9585 8.9641 8.9641 15.2009 15.2009 15.2069 15.2069 18.2912 18.2912 18.3029 18.3029 19.3561 19.3561 k = 0.2100 0.3393-0.0000 ( 2704 PWs) bands (ev): -11.2654 -11.2654 -11.2174 -11.2174 -10.9513 -10.9513 -10.8785 -10.8785 -10.1901 -10.1901 -10.1427 -10.1427 -9.9869 -9.9869 -9.9079 -9.9079 -9.7458 -9.7458 -9.7308 -9.7308 -8.1682 -8.1682 -8.1266 -8.1266 -6.0035 -6.0035 -6.0031 -6.0031 3.2087 3.2087 3.2250 3.2250 4.8578 4.8578 4.9662 4.9662 6.8254 6.8254 6.8266 6.8266 8.1060 8.1060 8.1324 8.1324 8.3891 8.3891 8.4022 8.4022 8.9706 8.9706 8.9754 8.9754 15.1365 15.1365 15.1421 15.1421 18.1994 18.1994 18.2074 18.2074 19.4248 19.4248 k = 0.2000 0.3393-0.0000 ( 2700 PWs) bands (ev): -11.2609 -11.2609 -11.2096 -11.2096 -10.9553 -10.9553 -10.8774 -10.8774 -10.1895 -10.1895 -10.1397 -10.1397 -9.9918 -9.9918 -9.9051 -9.9051 -9.7450 -9.7450 -9.7326 -9.7326 -8.1896 -8.1896 -8.1479 -8.1479 -6.0223 -6.0223 -6.0218 -6.0218 3.2104 3.2104 3.2269 3.2269 4.9317 4.9317 5.0374 5.0374 6.8904 6.8904 6.8932 6.8932 8.0898 8.0898 8.1219 8.1219 8.3707 8.3707 8.3811 8.3811 8.9829 8.9829 8.9871 8.9871 15.0723 15.0723 15.0772 15.0772 18.1048 18.1048 18.1089 18.1089 19.4989 19.4989 k = 0.1900 0.3393-0.0000 ( 2696 PWs) bands (ev): -11.2571 -11.2571 -11.2032 -11.2032 -10.9582 -10.9582 -10.8760 -10.8760 -10.1885 -10.1885 -10.1363 -10.1363 -9.9960 -9.9960 -9.9020 -9.9020 -9.7442 -9.7442 -9.7343 -9.7343 -8.2112 -8.2112 -8.1693 -8.1693 -6.0405 -6.0405 -6.0400 -6.0400 3.2110 3.2110 3.2275 3.2275 5.0084 5.0084 5.1115 5.1115 6.9528 6.9528 6.9572 6.9572 8.0687 8.0687 8.1067 8.1067 8.3570 8.3570 8.3645 8.3645 8.9954 8.9954 8.9989 8.9989 15.0084 15.0084 15.0128 15.0128 18.0086 18.0086 18.0092 18.0092 19.5767 19.5767 k = 0.1800 0.3393-0.0000 ( 2700 PWs) bands (ev): -11.2542 -11.2542 -11.1983 -11.1983 -10.9598 -10.9598 -10.8744 -10.8744 -10.1870 -10.1870 -10.1326 -10.1326 -9.9996 -9.9996 -9.8988 -9.8988 -9.7433 -9.7433 -9.7359 -9.7359 -8.2327 -8.2327 -8.1909 -8.1909 -6.0583 -6.0583 -6.0578 -6.0578 3.2105 3.2105 3.2270 3.2270 5.0878 5.0878 5.1883 5.1883 7.0120 7.0120 7.0179 7.0179 8.0429 8.0429 8.0865 8.0865 8.3484 8.3484 8.3533 8.3533 9.0078 9.0078 9.0108 9.0108 14.9452 14.9452 14.9489 14.9489 17.9096 17.9096 17.9122 17.9122 19.6572 19.6572 k = 0.1700 0.3393-0.0000 ( 2704 PWs) bands (ev): -11.2520 -11.2520 -11.1951 -11.1951 -10.9600 -10.9600 -10.8727 -10.8727 -10.1852 -10.1852 -10.1286 -10.1286 -10.0023 -10.0023 -9.8955 -9.8955 -9.7423 -9.7423 -9.7373 -9.7373 -8.2541 -8.2541 -8.2126 -8.2126 -6.0755 -6.0755 -6.0749 -6.0749 3.2093 3.2093 3.2256 3.2256 5.1696 5.1696 5.2676 5.2676 7.0670 7.0670 7.0744 7.0744 8.0130 8.0130 8.0614 8.0614 8.3448 8.3448 8.3477 8.3477 9.0201 9.0201 9.0227 9.0227 14.8829 14.8829 14.8860 14.8860 17.8111 17.8111 17.8163 17.8163 19.7394 19.7394 k = 0.1600 0.3393-0.0000 ( 2704 PWs) bands (ev): -11.2505 -11.2505 -11.1934 -11.1934 -10.9589 -10.9589 -10.8708 -10.8708 -10.1830 -10.1830 -10.1244 -10.1244 -10.0042 -10.0042 -9.8921 -9.8921 -9.7413 -9.7413 -9.7386 -9.7386 -8.2753 -8.2753 -8.2342 -8.2342 -6.0921 -6.0921 -6.0915 -6.0915 3.2075 3.2075 3.2234 3.2234 5.2534 5.2534 5.3490 5.3490 7.1171 7.1171 7.1257 7.1257 7.9801 7.9801 8.0324 8.0324 8.3458 8.3458 8.3474 8.3474 9.0321 9.0321 9.0343 9.0343 14.8218 14.8218 14.8244 14.8244 17.7146 17.7146 17.7219 17.7219 19.8228 19.8228 k = 0.1500 0.3393-0.0000 ( 2700 PWs) bands (ev): -11.2495 -11.2495 -11.1932 -11.1932 -10.9565 -10.9565 -10.8690 -10.8690 -10.1805 -10.1805 -10.1202 -10.1202 -10.0051 -10.0051 -9.8888 -9.8888 -9.7401 -9.7401 -9.7397 -9.7397 -8.2961 -8.2961 -8.2557 -8.2557 -6.1079 -6.1079 -6.1073 -6.1073 3.2051 3.2051 3.2206 3.2206 5.3390 5.3390 5.4323 5.4323 7.1613 7.1613 7.1708 7.1708 7.9454 7.9454 8.0007 8.0007 8.3510 8.3510 8.3518 8.3518 9.0437 9.0437 9.0456 9.0456 14.7623 14.7623 14.7643 14.7643 17.6207 17.6207 17.6297 17.6297 19.9068 19.9068 k = 0.1400 0.3393-0.0000 ( 2692 PWs) bands (ev): -11.2491 -11.2491 -11.1944 -11.1944 -10.9530 -10.9530 -10.8672 -10.8672 -10.1776 -10.1776 -10.1162 -10.1162 -10.0050 -10.0050 -9.8857 -9.8857 -9.7405 -9.7405 -9.7390 -9.7390 -8.3165 -8.3165 -8.2769 -8.2769 -6.1230 -6.1230 -6.1224 -6.1224 3.2023 3.2023 3.2172 3.2172 5.4261 5.4261 5.5172 5.5172 7.1984 7.1984 7.2083 7.2083 7.9106 7.9106 7.9676 7.9676 8.3598 8.3598 8.3604 8.3604 9.0550 9.0550 9.0566 9.0566 14.7046 14.7046 14.7061 14.7061 17.5301 17.5301 17.5402 17.5402 19.9909 19.9909 k = 0.1300 0.3393-0.0000 ( 2692 PWs) bands (ev): -11.2491 -11.2491 -11.1967 -11.1967 -10.9485 -10.9485 -10.8656 -10.8656 -10.1745 -10.1745 -10.1126 -10.1126 -10.0036 -10.0036 -9.8829 -9.8829 -9.7411 -9.7411 -9.7378 -9.7378 -8.3362 -8.3362 -8.2978 -8.2978 -6.1373 -6.1373 -6.1366 -6.1366 3.1993 3.1993 3.2135 3.2135 5.5145 5.5145 5.6034 5.6034 7.2275 7.2275 7.2367 7.2367 7.8771 7.8771 7.9348 7.9348 8.3717 8.3717 8.3723 8.3723 9.0657 9.0657 9.0670 9.0670 14.6491 14.6491 14.6501 14.6501 17.4432 17.4432 17.4542 17.4542 20.0746 20.0746 k = 0.1200 0.3393-0.0000 ( 2688 PWs) bands (ev): -11.2494 -11.2494 -11.1998 -11.1998 -10.9434 -10.9434 -10.8642 -10.8642 -10.1711 -10.1711 -10.1095 -10.1095 -10.0010 -10.0010 -9.8805 -9.8805 -9.7414 -9.7414 -9.7366 -9.7366 -8.3552 -8.3552 -8.3181 -8.3181 -6.1507 -6.1507 -6.1500 -6.1500 3.1961 3.1961 3.2096 3.2096 5.6039 5.6039 5.6906 5.6906 7.2472 7.2472 7.2546 7.2546 7.8467 7.8467 7.9035 7.9035 8.3863 8.3863 8.3871 8.3871 9.0758 9.0758 9.0769 9.0769 14.5961 14.5961 14.5966 14.5966 17.3605 17.3605 17.3720 17.3720 20.1575 20.1575 k = 0.1100 0.3393-0.0000 ( 2688 PWs) bands (ev): -11.2499 -11.2499 -11.2037 -11.2037 -10.9376 -10.9376 -10.8630 -10.8630 -10.1675 -10.1675 -10.1072 -10.1072 -9.9970 -9.9970 -9.8785 -9.8785 -9.7413 -9.7413 -9.7354 -9.7354 -8.3732 -8.3732 -8.3378 -8.3378 -6.1632 -6.1632 -6.1625 -6.1625 3.1929 3.1929 3.2055 3.2055 5.6940 5.6940 5.7785 5.7785 7.2564 7.2564 7.2605 7.2605 7.8210 7.8210 7.8752 7.8752 8.4031 8.4031 8.4042 8.4042 9.0853 9.0853 9.0863 9.0863 14.5458 14.5458 14.5460 14.5460 17.2826 17.2826 17.2943 17.2943 20.2391 20.2391 k = 0.1000 0.3393-0.0000 ( 2688 PWs) bands (ev): -11.2505 -11.2505 -11.2080 -11.2080 -10.9316 -10.9316 -10.8622 -10.8622 -10.1637 -10.1637 -10.1057 -10.1057 -9.9917 -9.9917 -9.8772 -9.8772 -9.7410 -9.7410 -9.7342 -9.7342 -8.3902 -8.3902 -8.3567 -8.3567 -6.1747 -6.1747 -6.1740 -6.1740 3.1897 3.1897 3.2014 3.2014 5.7846 5.7846 5.8669 5.8669 7.2534 7.2534 7.2543 7.2543 7.8010 7.8010 7.8511 7.8511 8.4216 8.4216 8.4229 8.4229 9.0941 9.0941 9.0949 9.0949 14.4985 14.4985 14.4986 14.4986 17.2099 17.2099 17.2215 17.2215 20.3188 20.3188 k = 0.0900 0.3393-0.0000 ( 2688 PWs) bands (ev): -11.2512 -11.2512 -11.2126 -11.2126 -10.9253 -10.9253 -10.8617 -10.8617 -10.1597 -10.1597 -10.1051 -10.1051 -9.9853 -9.9853 -9.8767 -9.8767 -9.7404 -9.7404 -9.7331 -9.7331 -8.4059 -8.4059 -8.3746 -8.3746 -6.1852 -6.1852 -6.1845 -6.1845 3.1867 3.1867 3.1974 3.1974 5.8754 5.8754 5.9555 5.9555 7.2334 7.2334 7.2407 7.2407 7.7872 7.7872 7.8317 7.8317 8.4411 8.4411 8.4425 8.4425 9.1022 9.1022 9.1029 9.1029 14.4544 14.4544 14.4548 14.4548 17.1429 17.1429 17.1540 17.1540 20.3962 20.3962 k = 0.0800 0.3393-0.0000 ( 2690 PWs) bands (ev): -11.2518 -11.2518 -11.2173 -11.2173 -10.9191 -10.9191 -10.8617 -10.8617 -10.1557 -10.1557 -10.1052 -10.1052 -9.9779 -9.9779 -9.8769 -9.8769 -9.7394 -9.7394 -9.7320 -9.7320 -8.4203 -8.4203 -8.3915 -8.3915 -6.1947 -6.1947 -6.1940 -6.1940 3.1838 3.1838 3.1935 3.1935 5.9660 5.9660 6.0438 6.0438 7.2014 7.2014 7.2157 7.2157 7.7790 7.7790 7.8171 7.8171 8.4610 8.4610 8.4625 8.4625 9.1095 9.1095 9.1101 9.1101 14.4141 14.4141 14.4147 14.4147 17.0818 17.0818 17.0923 17.0923 20.4707 20.4707 k = 0.0700 0.3393-0.0000 ( 2698 PWs) bands (ev): -11.2522 -11.2522 -11.2220 -11.2220 -10.9129 -10.9129 -10.8620 -10.8620 -10.1516 -10.1516 -10.1060 -10.1060 -9.9698 -9.9698 -9.8780 -9.8780 -9.7383 -9.7383 -9.7310 -9.7310 -8.4331 -8.4331 -8.4071 -8.4071 -6.2031 -6.2031 -6.2025 -6.2025 3.1813 3.1813 3.1898 3.1898 6.0562 6.0562 6.1317 6.1317 7.1590 7.1590 7.1804 7.1804 7.7751 7.7751 7.8068 7.8068 8.4806 8.4806 8.4822 8.4822 9.1160 9.1160 9.1165 9.1165 14.3778 14.3778 14.3785 14.3785 17.0272 17.0272 17.0368 17.0368 20.5415 20.5415 k = 0.0600 0.3393-0.0000 ( 2698 PWs) bands (ev): -11.2525 -11.2525 -11.2265 -11.2265 -10.9068 -10.9068 -10.8628 -10.8628 -10.1475 -10.1475 -10.1073 -10.1073 -9.9611 -9.9611 -9.8799 -9.8799 -9.7369 -9.7369 -9.7302 -9.7302 -8.4442 -8.4442 -8.4213 -8.4213 -6.2104 -6.2104 -6.2099 -6.2099 3.1790 3.1790 3.1864 3.1864 6.1458 6.1458 6.2187 6.2187 7.1083 7.1083 7.1363 7.1363 7.7742 7.7742 7.7999 7.7999 8.4992 8.4992 8.5008 8.5008 9.1217 9.1217 9.1221 9.1221 14.3458 14.3458 14.3466 14.3466 16.9792 16.9792 16.9878 16.9878 20.6082 20.6082 k = 0.0500 0.3393-0.0000 ( 2698 PWs) bands (ev): -11.2525 -11.2525 -11.2308 -11.2308 -10.9010 -10.9010 -10.8640 -10.8640 -10.1434 -10.1434 -10.1092 -10.1092 -9.9522 -9.9522 -9.8828 -9.8828 -9.7355 -9.7355 -9.7295 -9.7295 -8.4535 -8.4535 -8.4340 -8.4340 -6.2167 -6.2167 -6.2162 -6.2162 3.1772 3.1772 3.1834 3.1834 6.2342 6.2342 6.3043 6.3043 7.0510 7.0510 7.0848 7.0848 7.7752 7.7752 7.7955 7.7955 8.5163 8.5163 8.5177 8.5177 9.1266 9.1266 9.1269 9.1269 14.3183 14.3183 14.3191 14.3191 16.9382 16.9382 16.9457 16.9457 20.6698 20.6698 k = 0.0400 0.3393-0.0000 ( 2698 PWs) bands (ev): -11.2522 -11.2522 -11.2348 -11.2348 -10.8955 -10.8955 -10.8657 -10.8657 -10.1393 -10.1393 -10.1116 -10.1116 -9.9432 -9.9432 -9.8866 -9.8866 -9.7341 -9.7341 -9.7290 -9.7290 -8.4609 -8.4609 -8.4449 -8.4449 -6.2218 -6.2218 -6.2214 -6.2214 3.1757 3.1757 3.1807 3.1807 6.3209 6.3209 6.3878 6.3878 6.9889 6.9889 7.0274 7.0274 7.7772 7.7772 7.7926 7.7926 8.5311 8.5311 8.5323 8.5323 9.1306 9.1306 9.1308 9.1308 14.2956 14.2956 14.2962 14.2962 16.9045 16.9045 16.9106 16.9106 20.7256 20.7256 k = 0.0300 0.3393-0.0000 ( 2702 PWs) bands (ev): -11.2515 -11.2515 -11.2385 -11.2385 -10.8903 -10.8903 -10.8679 -10.8679 -10.1352 -10.1352 -10.1142 -10.1142 -9.9344 -9.9344 -9.8912 -9.8912 -9.7327 -9.7327 -9.7288 -9.7288 -8.4662 -8.4662 -8.4541 -8.4541 -6.2258 -6.2258 -6.2255 -6.2255 3.1746 3.1746 3.1784 3.1784 6.4053 6.4053 6.4680 6.4680 6.9240 6.9240 6.9659 6.9659 7.7796 7.7796 7.7906 7.7906 8.5433 8.5433 8.5442 8.5442 9.1337 9.1337 9.1339 9.1339 14.2777 14.2777 14.2782 14.2782 16.8783 16.8783 16.8830 16.8830 20.7749 20.7749 k = 0.0200 0.3393-0.0000 ( 2706 PWs) bands (ev): -11.2504 -11.2504 -11.2418 -11.2418 -10.8855 -10.8855 -10.8705 -10.8705 -10.1313 -10.1313 -10.1172 -10.1172 -9.9258 -9.9258 -9.8967 -9.8967 -9.7315 -9.7315 -9.7288 -9.7288 -8.4695 -8.4695 -8.4613 -8.4613 -6.2286 -6.2286 -6.2284 -6.2284 3.1741 3.1741 3.1766 3.1766 6.4856 6.4856 6.5415 6.5415 6.8601 6.8601 6.9024 6.9024 7.7819 7.7819 7.7891 7.7891 8.5523 8.5523 8.5529 8.5529 9.1360 9.1360 9.1361 9.1361 14.2649 14.2649 14.2652 14.2652 16.8596 16.8596 16.8628 16.8628 20.8167 20.8167 k = 0.0100 0.3393-0.0000 ( 2704 PWs) bands (ev): -11.2489 -11.2489 -11.2446 -11.2446 -10.8811 -10.8811 -10.8736 -10.8736 -10.1275 -10.1275 -10.1204 -10.1204 -9.9176 -9.9176 -9.9030 -9.9030 -9.7304 -9.7304 -9.7291 -9.7291 -8.4707 -8.4707 -8.4665 -8.4665 -6.2303 -6.2303 -6.2302 -6.2302 3.1740 3.1740 3.1752 3.1752 6.5576 6.5576 6.5979 6.5979 6.8081 6.8081 6.8417 6.8417 7.7841 7.7841 7.7876 7.7876 8.5579 8.5579 8.5582 8.5582 9.1373 9.1373 9.1374 9.1374 14.2571 14.2571 14.2573 14.2573 16.8487 16.8487 16.8503 16.8503 20.8501 20.8501 k = 0.0000 0.3393-0.0000 ( 2696 PWs) bands (ev): -11.2470 -11.2470 -11.2470 -11.2470 -10.8771 -10.8771 -10.8771 -10.8771 -10.1239 -10.1239 -10.1239 -10.1239 -9.9100 -9.9100 -9.9100 -9.9100 -9.7296 -9.7296 -9.7296 -9.7296 -8.4697 -8.4697 -8.4697 -8.4697 -6.2308 -6.2308 -6.2308 -6.2308 3.1744 3.1744 3.1744 3.1744 6.6062 6.6062 6.6062 6.6062 6.7991 6.7991 6.7991 6.7991 7.7860 7.7860 7.7860 7.7860 8.5599 8.5599 8.5599 8.5599 9.1378 9.1378 9.1378 9.1378 14.2546 14.2546 14.2546 14.2546 16.8456 16.8456 16.8456 16.8456 20.8746 20.8746 k = 0.0000 0.3393-0.0000 ( 2696 PWs) bands (ev): -11.2470 -11.2470 -11.2470 -11.2470 -10.8771 -10.8771 -10.8771 -10.8771 -10.1239 -10.1239 -10.1239 -10.1239 -9.9100 -9.9100 -9.9100 -9.9100 -9.7296 -9.7296 -9.7296 -9.7296 -8.4697 -8.4697 -8.4697 -8.4697 -6.2308 -6.2308 -6.2308 -6.2308 3.1744 3.1744 3.1744 3.1744 6.6062 6.6062 6.6062 6.6062 6.7991 6.7991 6.7991 6.7991 7.7860 7.7860 7.7860 7.7860 8.5599 8.5599 8.5599 8.5599 9.1378 9.1378 9.1378 9.1378 14.2546 14.2546 14.2546 14.2546 16.8456 16.8456 16.8456 16.8456 20.8746 20.8746 k = 0.0000 0.3293-0.0000 ( 2696 PWs) bands (ev): -11.2616 -11.2616 -11.2323 -11.2323 -10.8772 -10.8772 -10.8770 -10.8770 -10.1260 -10.1260 -10.1217 -10.1217 -9.9104 -9.9104 -9.9095 -9.9095 -9.7296 -9.7296 -9.7296 -9.7296 -8.5099 -8.5099 -8.4287 -8.4287 -6.2760 -6.2760 -6.1864 -6.1864 3.0894 3.0894 3.2608 3.2608 6.5635 6.5635 6.6459 6.6459 6.7438 6.7438 6.8591 6.8591 7.7395 7.7395 7.8308 7.8308 8.5581 8.5581 8.5616 8.5616 9.1292 9.1292 9.1472 9.1472 14.1548 14.1548 14.3520 14.3520 16.8330 16.8330 16.8544 16.8544 20.8637 20.8637 k = 0.0000 0.3194-0.0000 ( 2698 PWs) bands (ev): -11.2762 -11.2762 -11.2177 -11.2177 -10.8772 -10.8772 -10.8767 -10.8767 -10.1280 -10.1280 -10.1194 -10.1194 -9.9107 -9.9107 -9.9090 -9.9090 -9.7296 -9.7296 -9.7295 -9.7295 -8.5493 -8.5493 -8.3872 -8.3872 -6.3216 -6.3216 -6.1426 -6.1426 3.0059 3.0059 3.3485 3.3485 6.5205 6.5205 6.6567 6.6567 6.7194 6.7194 6.9215 6.9215 7.6918 7.6918 7.8738 7.8738 8.5562 8.5562 8.5631 8.5631 9.1213 9.1213 9.1576 9.1576 14.0526 14.0526 14.4466 14.4466 16.8168 16.8168 16.8592 16.8592 20.8552 20.8552 k = 0.0000 0.3094-0.0000 ( 2706 PWs) bands (ev): -11.2906 -11.2906 -11.2032 -11.2032 -10.8772 -10.8772 -10.8764 -10.8764 -10.1299 -10.1299 -10.1170 -10.1170 -9.9111 -9.9111 -9.9084 -9.9084 -9.7295 -9.7295 -9.7294 -9.7294 -8.5879 -8.5879 -8.3450 -8.3450 -6.3677 -6.3677 -6.0997 -6.0997 2.9241 2.9241 3.4374 3.4374 6.4778 6.4778 6.6123 6.6123 6.7519 6.7519 6.9855 6.9855 7.6431 7.6431 7.9147 7.9147 8.5542 8.5542 8.5644 8.5644 9.1139 9.1139 9.1690 9.1690 13.9483 13.9483 14.5385 14.5385 16.7970 16.7970 16.8600 16.8600 20.8489 20.8489 k = 0.0000 0.2994-0.0000 ( 2708 PWs) bands (ev): -11.3050 -11.3050 -11.1888 -11.1888 -10.8771 -10.8771 -10.8760 -10.8760 -10.1316 -10.1316 -10.1145 -10.1145 -9.9113 -9.9113 -9.9077 -9.9077 -9.7294 -9.7294 -9.7293 -9.7293 -8.6256 -8.6256 -8.3024 -8.3024 -6.4141 -6.4141 -6.0578 -6.0578 2.8441 2.8441 3.5274 3.5274 6.4356 6.4356 6.5592 6.5592 6.7948 6.7948 7.0511 7.0511 7.5937 7.5937 7.9531 7.9531 8.5521 8.5521 8.5656 8.5656 9.1070 9.1070 9.1815 9.1815 13.8419 13.8419 14.6274 14.6274 16.7741 16.7741 16.8569 16.8569 20.8443 20.8443 k = 0.0000 0.2894-0.0000 ( 2704 PWs) bands (ev): -11.3191 -11.3191 -11.1746 -11.1746 -10.8770 -10.8770 -10.8754 -10.8754 -10.1333 -10.1333 -10.1119 -10.1119 -9.9116 -9.9116 -9.9068 -9.9068 -9.7293 -9.7293 -9.7291 -9.7291 -8.6623 -8.6623 -8.2594 -8.2594 -6.4607 -6.4607 -6.0168 -6.0168 2.7659 2.7659 3.6183 3.6183 6.3940 6.3940 6.5062 6.5062 6.8393 6.8393 7.1181 7.1181 7.5438 7.5438 7.9887 7.9887 8.5499 8.5499 8.5666 8.5666 9.1006 9.1006 9.1953 9.1953 13.7338 13.7338 14.7133 14.7133 16.7483 16.7483 16.8499 16.8499 20.8409 20.8409 k = 0.0000 0.2794-0.0000 ( 2700 PWs) bands (ev): -11.3331 -11.3331 -11.1606 -11.1606 -10.8768 -10.8768 -10.8747 -10.8747 -10.1348 -10.1348 -10.1093 -10.1093 -9.9118 -9.9118 -9.9058 -9.9058 -9.7291 -9.7291 -9.7290 -9.7290 -8.6980 -8.6980 -8.2161 -8.2161 -6.5075 -6.5075 -5.9770 -5.9770 2.6896 2.6896 3.7101 3.7101 6.3531 6.3531 6.4542 6.4542 6.8843 6.8843 7.1864 7.1864 7.4937 7.4937 8.0212 8.0212 8.5476 8.5476 8.5673 8.5673 9.0945 9.0945 9.2106 9.2106 13.6240 13.6240 14.7959 14.7959 16.7199 16.7199 16.8392 16.8392 20.8383 20.8383 k = 0.0000 0.2695-0.0000 ( 2704 PWs) bands (ev): -11.3468 -11.3468 -11.1469 -11.1469 -10.8766 -10.8766 -10.8739 -10.8739 -10.1363 -10.1363 -10.1067 -10.1067 -9.9121 -9.9121 -9.9047 -9.9047 -9.7289 -9.7289 -9.7288 -9.7288 -8.7327 -8.7327 -8.1725 -8.1725 -6.5542 -6.5542 -5.9385 -5.9385 2.6154 2.6154 3.8024 3.8024 6.3130 6.3130 6.4036 6.4036 6.9294 6.9294 7.2560 7.2560 7.4437 7.4437 8.0505 8.0505 8.5453 8.5453 8.5679 8.5679 9.0887 9.0887 9.2273 9.2273 13.5129 13.5129 14.8754 14.8754 16.6894 16.6894 16.8250 16.8250 20.8356 20.8356 k = 0.0000 0.2595-0.0000 ( 2702 PWs) bands (ev): -11.3602 -11.3602 -11.1336 -11.1336 -10.8764 -10.8764 -10.8729 -10.8729 -10.1376 -10.1376 -10.1040 -10.1040 -9.9123 -9.9123 -9.9034 -9.9034 -9.7287 -9.7287 -9.7286 -9.7286 -8.7662 -8.7662 -8.1288 -8.1288 -6.6008 -6.6008 -5.9012 -5.9012 2.5433 2.5433 3.8953 3.8953 6.2738 6.2738 6.3545 6.3545 6.9744 6.9744 7.3265 7.3265 7.3943 7.3943 8.0763 8.0763 8.5430 8.5430 8.5682 8.5682 9.0832 9.0832 9.2455 9.2455 13.4004 13.4004 14.9514 14.9514 16.6570 16.6570 16.8076 16.8076 20.8324 20.8324 k = 0.0000 0.2495-0.0000 ( 2698 PWs) bands (ev): -11.3733 -11.3733 -11.1207 -11.1207 -10.8761 -10.8761 -10.8717 -10.8717 -10.1389 -10.1389 -10.1014 -10.1014 -9.9125 -9.9125 -9.9019 -9.9019 -9.7284 -9.7284 -9.7283 -9.7283 -8.7987 -8.7987 -8.0851 -8.0851 -6.6471 -6.6471 -5.8652 -5.8652 2.4735 2.4735 3.9886 3.9886 6.2355 6.2355 6.3070 6.3070 7.0189 7.0189 7.3437 7.3437 7.3999 7.3999 8.0984 8.0984 8.5406 8.5406 8.5682 8.5682 9.0779 9.0779 9.2653 9.2653 13.2870 13.2870 15.0241 15.0241 16.6232 16.6232 16.7871 16.7871 20.8277 20.8277 k = 0.0000 0.2395-0.0000 ( 2696 PWs) bands (ev): -11.3861 -11.3861 -11.1083 -11.1083 -10.8759 -10.8759 -10.8703 -10.8703 -10.1400 -10.1400 -10.0988 -10.0988 -9.9127 -9.9127 -9.9001 -9.9001 -9.7281 -9.7281 -9.7280 -9.7280 -8.8299 -8.8299 -8.0415 -8.0415 -6.6931 -6.6931 -5.8307 -5.8307 2.4060 2.4060 4.0820 4.0820 6.1981 6.1981 6.2611 6.2611 7.0627 7.0627 7.2961 7.2961 7.4725 7.4725 8.1168 8.1168 8.5383 8.5383 8.5680 8.5680 9.0727 9.0727 9.2866 9.2866 13.1727 13.1727 15.0933 15.0933 16.5884 16.5884 16.7640 16.7640 20.8211 20.8211 k = 0.0000 0.2295-0.0000 ( 2694 PWs) bands (ev): -11.3985 -11.3985 -11.0963 -11.0963 -10.8756 -10.8756 -10.8687 -10.8687 -10.1411 -10.1411 -10.0962 -10.0962 -9.9129 -9.9129 -9.8981 -9.8981 -9.7279 -9.7279 -9.7276 -9.7276 -8.8599 -8.8599 -7.9980 -7.9980 -6.7386 -6.7386 -5.7977 -5.7977 2.3408 2.3408 4.1755 4.1755 6.1617 6.1617 6.2170 6.2170 7.1046 7.1046 7.2502 7.2502 7.5465 7.5465 8.1313 8.1313 8.5359 8.5359 8.5675 8.5675 9.0678 9.0678 9.3093 9.3093 13.0579 13.0579 15.1591 15.1591 16.5528 16.5528 16.7386 16.7386 20.8118 20.8118 k = 0.0000 0.2196-0.0000 ( 2690 PWs) bands (ev): -11.4105 -11.4105 -11.0850 -11.0850 -10.8754 -10.8754 -10.8669 -10.8669 -10.1421 -10.1421 -10.0938 -10.0938 -9.9131 -9.9131 -9.8958 -9.8958 -9.7276 -9.7276 -9.7272 -9.7272 -8.8886 -8.8886 -7.9549 -7.9549 -6.7835 -6.7835 -5.7663 -5.7663 2.2781 2.2781 4.2688 4.2688 6.1263 6.1263 6.1746 6.1746 7.1390 7.1390 7.2122 7.2122 7.6214 7.6214 8.1421 8.1421 8.5335 8.5335 8.5668 8.5668 9.0630 9.0630 9.3333 9.3333 12.9426 12.9426 15.2215 15.2215 16.5169 16.5169 16.7111 16.7111 20.7993 20.7993 k = 0.0000 0.2096-0.0000 ( 2694 PWs) bands (ev): -11.4222 -11.4222 -11.0743 -11.0743 -10.8751 -10.8751 -10.8648 -10.8648 -10.1430 -10.1430 -10.0914 -10.0914 -9.9133 -9.9133 -9.8932 -9.8932 -9.7274 -9.7274 -9.7267 -9.7267 -8.9161 -8.9161 -7.9122 -7.9122 -6.8277 -6.8277 -5.7364 -5.7364 2.2179 2.2179 4.3618 4.3618 6.0919 6.0919 6.1340 6.1340 7.1349 7.1349 7.2131 7.2131 7.6971 7.6971 8.1491 8.1491 8.5312 8.5312 8.5657 8.5657 9.0583 9.0583 9.3585 9.3585 12.8271 12.8271 15.2804 15.2804 16.4810 16.4810 16.6820 16.6820 20.7831 20.7831 k = 0.0000 0.1996-0.0000 ( 2692 PWs) bands (ev): -11.4334 -11.4334 -11.0642 -11.0642 -10.8748 -10.8748 -10.8625 -10.8625 -10.1438 -10.1438 -10.0893 -10.0893 -9.9134 -9.9134 -9.8904 -9.8904 -9.7271 -9.7271 -9.7262 -9.7262 -8.9423 -8.9423 -7.8701 -7.8701 -6.8711 -6.8711 -5.7083 -5.7083 2.1602 2.1602 4.4541 4.4541 6.0585 6.0585 6.0954 6.0954 7.0976 7.0976 7.2477 7.2477 7.7733 7.7733 8.1527 8.1527 8.5289 8.5289 8.5644 8.5644 9.0538 9.0538 9.3845 9.3845 12.7118 12.7118 15.3360 15.3360 16.4454 16.4454 16.6515 16.6515 20.7629 20.7629 k = 0.0000 0.1896-0.0000 ( 2694 PWs) bands (ev): -11.4442 -11.4442 -11.0548 -11.0548 -10.8746 -10.8746 -10.8600 -10.8600 -10.1446 -10.1446 -10.0873 -10.0873 -9.9136 -9.9136 -9.8872 -9.8872 -9.7268 -9.7268 -9.7257 -9.7257 -8.9672 -8.9672 -7.8286 -7.8286 -6.9135 -6.9135 -5.6817 -5.6817 2.1052 2.1052 4.5457 4.5457 6.0259 6.0259 6.0589 6.0589 7.0560 7.0560 7.2872 7.2872 7.8496 7.8496 8.1532 8.1532 8.5266 8.5266 8.5628 8.5628 9.0495 9.0495 9.4113 9.4113 12.5967 12.5967 15.3883 15.3883 16.4103 16.4103 16.6201 16.6201 20.7385 20.7385 k = 0.0000 0.1796-0.0000 ( 2690 PWs) bands (ev): -11.4545 -11.4545 -11.0461 -11.0461 -10.8743 -10.8743 -10.8572 -10.8572 -10.1453 -10.1453 -10.0855 -10.0855 -9.9138 -9.9138 -9.8838 -9.8838 -9.7266 -9.7266 -9.7251 -9.7251 -8.9907 -8.9907 -7.7880 -7.7880 -6.9548 -6.9548 -5.6569 -5.6569 2.0529 2.0529 4.6363 4.6363 5.9942 5.9942 6.0245 6.0245 7.0145 7.0145 7.3270 7.3270 7.9253 7.9253 8.1515 8.1515 8.5244 8.5244 8.5609 8.5609 9.0452 9.0452 9.4385 9.4385 12.4821 12.4821 15.4374 15.4374 16.3761 16.3761 16.5879 16.5879 20.7100 20.7100 k = 0.0000 0.1697-0.0000 ( 2688 PWs) bands (ev): -11.4643 -11.4643 -11.0381 -11.0381 -10.8740 -10.8740 -10.8543 -10.8543 -10.1459 -10.1459 -10.0839 -10.0839 -9.9139 -9.9139 -9.8800 -9.8800 -9.7263 -9.7263 -9.7244 -9.7244 -9.0129 -9.0129 -7.7484 -7.7484 -6.9949 -6.9949 -5.6338 -5.6338 2.0033 2.0033 4.7256 4.7256 5.9633 5.9633 5.9925 5.9925 6.9742 6.9742 7.3662 7.3662 7.9984 7.9984 8.1498 8.1498 8.5223 8.5223 8.5587 8.5587 9.0412 9.0412 9.4659 9.4659 12.3684 12.3684 15.4834 15.4834 16.3429 16.3429 16.5554 16.5554 20.6776 20.6776 k = 0.0000 0.1597-0.0000 ( 2680 PWs) bands (ev): -11.4736 -11.4736 -11.0309 -11.0309 -10.8738 -10.8738 -10.8511 -10.8511 -10.1465 -10.1465 -10.0825 -10.0825 -9.9141 -9.9141 -9.8761 -9.8761 -9.7261 -9.7261 -9.7237 -9.7237 -9.0338 -9.0338 -7.7098 -7.7098 -7.0337 -7.0337 -5.6123 -5.6123 1.9565 1.9565 4.8133 4.8133 5.9333 5.9333 5.9627 5.9627 6.9355 6.9355 7.4044 7.4044 8.0599 8.0599 8.1568 8.1568 8.5202 8.5202 8.5562 8.5562 9.0373 9.0373 9.4931 9.4931 12.2558 12.2558 15.5265 15.5265 16.3109 16.3109 16.5227 16.5227 20.6419 20.6419 k = 0.0000 0.1497-0.0000 ( 2686 PWs) bands (ev): -11.4825 -11.4825 -11.0244 -11.0244 -10.8735 -10.8735 -10.8478 -10.8478 -10.1470 -10.1470 -10.0813 -10.0813 -9.9142 -9.9142 -9.8719 -9.8719 -9.7258 -9.7258 -9.7230 -9.7230 -9.0533 -9.0533 -7.6726 -7.6726 -7.0710 -7.0710 -5.5926 -5.5926 1.9124 1.9124 4.8991 4.8991 5.9044 5.9044 5.9352 5.9352 6.8984 6.8984 7.4414 7.4414 8.0861 8.0861 8.1964 8.1964 8.5182 8.5182 8.5535 8.5535 9.0335 9.0335 9.5201 9.5201 12.1447 12.1447 15.5668 15.5668 16.2803 16.2803 16.4902 16.4902 20.6038 20.6038 k = 0.0000 0.1397-0.0000 ( 2686 PWs) bands (ev): -11.4908 -11.4908 -11.0185 -11.0185 -10.8733 -10.8733 -10.8444 -10.8444 -10.1475 -10.1475 -10.0804 -10.0804 -9.9144 -9.9144 -9.8676 -9.8676 -9.7256 -9.7256 -9.7222 -9.7222 -9.0714 -9.0714 -7.6367 -7.6367 -7.1066 -7.1066 -5.5745 -5.5745 1.8712 1.8712 4.9827 4.9827 5.8767 5.8767 5.9097 5.9097 6.8632 6.8632 7.4771 7.4771 8.0827 8.0827 8.2632 8.2632 8.5162 8.5162 8.5506 8.5506 9.0299 9.0299 9.5463 9.5463 12.0353 12.0353 15.6045 15.6045 16.2512 16.2512 16.4580 16.4580 20.5642 20.5642 k = 0.0000 0.1297-0.0000 ( 2690 PWs) bands (ev): -11.4986 -11.4986 -11.0133 -11.0133 -10.8731 -10.8731 -10.8410 -10.8410 -10.1480 -10.1480 -10.0797 -10.0797 -9.9145 -9.9145 -9.8631 -9.8631 -9.7253 -9.7253 -9.7214 -9.7214 -9.0882 -9.0882 -7.6025 -7.6025 -7.1405 -7.1405 -5.5580 -5.5580 1.8328 1.8328 5.0637 5.0637 5.8505 5.8505 5.8862 5.8862 6.8300 6.8300 7.5112 7.5112 8.0697 8.0697 8.3371 8.3371 8.5143 8.5143 8.5475 8.5475 9.0266 9.0266 9.5718 9.5718 11.9281 11.9281 15.6397 15.6397 16.2236 16.2236 16.4265 16.4265 20.5242 20.5242 k = 0.0000 0.1198-0.0000 ( 2689 PWs) bands (ev): -11.5059 -11.5059 -11.0087 -11.0087 -10.8729 -10.8729 -10.8375 -10.8375 -10.1484 -10.1484 -10.0792 -10.0792 -9.9147 -9.9147 -9.8587 -9.8587 -9.7251 -9.7251 -9.7205 -9.7205 -9.1037 -9.1037 -7.5699 -7.5699 -7.1726 -7.1726 -5.5432 -5.5432 1.7972 1.7972 5.1416 5.1416 5.8259 5.8259 5.8646 5.8646 6.7990 6.7990 7.5437 7.5437 8.0528 8.0528 8.4122 8.4122 8.5126 8.5126 8.5443 8.5443 9.0234 9.0234 9.5962 9.5962 11.8235 11.8235 15.6726 15.6726 16.1977 16.1977 16.3959 16.3959 20.4848 20.4848 k = 0.0000 0.1098-0.0000 ( 2693 PWs) bands (ev): -11.5126 -11.5126 -11.0047 -11.0047 -10.8727 -10.8727 -10.8341 -10.8341 -10.1487 -10.1487 -10.0788 -10.0788 -9.9148 -9.9148 -9.8542 -9.8542 -9.7249 -9.7249 -9.7197 -9.7197 -9.1178 -9.1178 -7.5393 -7.5393 -7.2026 -7.2026 -5.5299 -5.5299 1.7645 1.7645 5.2161 5.2161 5.8031 5.8031 5.8448 5.8448 6.7701 6.7701 7.5744 7.5744 8.0338 8.0338 8.4862 8.4862 8.5116 8.5116 8.5411 8.5411 9.0204 9.0204 9.6192 9.6192 11.7221 11.7221 15.7035 15.7035 16.1733 16.1733 16.3663 16.3663 20.4466 20.4466 k = 0.0000 0.0998-0.0000 ( 2687 PWs) bands (ev): -11.5187 -11.5187 -11.0012 -11.0012 -10.8725 -10.8725 -10.8308 -10.8308 -10.1490 -10.1490 -10.0786 -10.0786 -9.9149 -9.9149 -9.8499 -9.8499 -9.7247 -9.7247 -9.7188 -9.7188 -9.1307 -9.1307 -7.5108 -7.5108 -7.2304 -7.2304 -5.5180 -5.5180 1.7347 1.7347 5.2865 5.2865 5.7822 5.7822 5.8268 5.8268 6.7435 6.7435 7.6031 7.6031 8.0135 8.0135 8.5085 8.5085 8.5369 8.5369 8.5620 8.5620 9.0177 9.0177 9.6409 9.6409 11.6243 11.6243 15.7325 15.7325 16.1504 16.1504 16.3381 16.3381 20.4105 20.4105 k = 0.0000 0.0898-0.0000 ( 2691 PWs) bands (ev): -11.5243 -11.5243 -10.9982 -10.9982 -10.8723 -10.8723 -10.8277 -10.8277 -10.1493 -10.1493 -10.0785 -10.0785 -9.9150 -9.9150 -9.8457 -9.8457 -9.7246 -9.7246 -9.7179 -9.7179 -9.1422 -9.1422 -7.4845 -7.4845 -7.2560 -7.2560 -5.5076 -5.5076 1.7077 1.7077 5.3524 5.3524 5.7634 5.7634 5.8106 5.8106 6.7192 6.7192 7.6297 7.6297 7.9926 7.9926 8.5072 8.5072 8.5340 8.5340 8.6328 8.6328 9.0152 9.0152 9.6609 9.6609 11.5310 11.5310 15.7598 15.7598 16.1289 16.1289 16.3114 16.3114 20.3768 20.3768 k = 0.0000 0.0798-0.0000 ( 2695 PWs) bands (ev): -11.5293 -11.5293 -10.9956 -10.9956 -10.8722 -10.8722 -10.8247 -10.8247 -10.1496 -10.1496 -10.0785 -10.0785 -9.9151 -9.9151 -9.8418 -9.8418 -9.7244 -9.7244 -9.7170 -9.7170 -9.1524 -9.1524 -7.4607 -7.4607 -7.2790 -7.2790 -5.4985 -5.4985 1.6836 1.6836 5.4130 5.4130 5.7467 5.7467 5.7962 5.7962 6.6973 6.6973 7.6541 7.6541 7.9718 7.9718 8.5057 8.5057 8.5308 8.5308 8.7011 8.7011 9.0130 9.0130 9.6791 9.6791 11.4428 11.4428 15.7855 15.7855 16.1087 16.1087 16.2865 16.2865 20.3460 20.3460 k = 0.0000 0.0699-0.0000 ( 2689 PWs) bands (ev): -11.5338 -11.5338 -10.9934 -10.9934 -10.8720 -10.8720 -10.8220 -10.8220 -10.1498 -10.1498 -10.0786 -10.0786 -9.9152 -9.9152 -9.8382 -9.8382 -9.7243 -9.7243 -9.7162 -9.7162 -9.1614 -9.1614 -7.4396 -7.4396 -7.2995 -7.2995 -5.4907 -5.4907 1.6624 1.6624 5.4676 5.4676 5.7325 5.7325 5.7837 5.7837 6.6779 6.6779 7.6760 7.6760 7.9515 7.9515 8.5042 8.5042 8.5278 8.5278 8.7656 8.7656 9.0110 9.0110 9.6954 9.6954 11.3607 11.3607 15.8100 15.8100 16.0896 16.0896 16.2637 16.2637 20.3183 20.3183 k = 0.0000 0.0599-0.0000 ( 2693 PWs) bands (ev): -11.5376 -11.5376 -10.9916 -10.9916 -10.8719 -10.8719 -10.8196 -10.8196 -10.1499 -10.1499 -10.0787 -10.0787 -9.9153 -9.9153 -9.8349 -9.8349 -9.7241 -9.7241 -9.7154 -9.7154 -9.1691 -9.1691 -7.4213 -7.4213 -7.3170 -7.3170 -5.4841 -5.4841 1.6440 1.6440 5.5153 5.5153 5.7211 5.7211 5.7732 5.7732 6.6609 6.6609 7.6954 7.6954 7.9324 7.9324 8.5029 8.5029 8.5251 8.5251 8.8253 8.8253 9.0094 9.0094 9.7098 9.7098 11.2858 11.2858 15.8331 15.8331 16.0713 16.0713 16.2432 16.2432 20.2939 20.2939 k = 0.0000 0.0499-0.0000 ( 2689 PWs) bands (ev): -11.5409 -11.5409 -10.9902 -10.9902 -10.8718 -10.8718 -10.8175 -10.8175 -10.1501 -10.1501 -10.0788 -10.0788 -9.9153 -9.9153 -9.8321 -9.8321 -9.7240 -9.7240 -9.7146 -9.7146 -9.1756 -9.1756 -7.4064 -7.4064 -7.3313 -7.3313 -5.4787 -5.4787 1.6285 1.6285 5.5550 5.5550 5.7127 5.7127 5.7648 5.7648 6.6466 6.6466 7.7121 7.7121 7.9150 7.9150 8.5016 8.5016 8.5227 8.5227 8.8787 8.8787 9.0083 9.0083 9.7220 9.7220 11.2191 11.2191 15.8552 15.8552 16.0537 16.0537 16.2253 16.2253 20.2730 20.2730 k = 0.0000 0.0399-0.0000 ( 2693 PWs) bands (ev): -11.5436 -11.5436 -10.9890 -10.9890 -10.8717 -10.8717 -10.8158 -10.8158 -10.1502 -10.1502 -10.0790 -10.0790 -9.9154 -9.9154 -9.8297 -9.8297 -9.7239 -9.7239 -9.7140 -9.7140 -9.1809 -9.1809 -7.3954 -7.3954 -7.3417 -7.3417 -5.4743 -5.4743 1.6158 1.6158 5.5857 5.5857 5.7078 5.7078 5.7587 5.7587 6.6347 6.6347 7.7260 7.7260 7.8998 7.8998 8.5005 8.5005 8.5207 8.5207 8.9246 8.9246 9.0077 9.0077 9.7321 9.7321 11.1620 11.1620 15.8763 15.8763 16.0365 16.0365 16.2103 16.2103 20.2558 20.2558 k = 0.0000 0.0299-0.0000 ( 2697 PWs) bands (ev): -11.5457 -11.5457 -10.9881 -10.9881 -10.8717 -10.8717 -10.8144 -10.8144 -10.1503 -10.1503 -10.0791 -10.0791 -9.9154 -9.9154 -9.8278 -9.8278 -9.7239 -9.7239 -9.7135 -9.7135 -9.1850 -9.1850 -7.3889 -7.3889 -7.3477 -7.3477 -5.4710 -5.4710 1.6059 1.6059 5.6067 5.6067 5.7063 5.7063 5.7550 5.7550 6.6255 6.6255 7.7370 7.7370 7.8874 7.8874 8.4995 8.4995 8.5191 8.5191 8.9609 8.9609 9.0084 9.0084 9.7400 9.7400 11.1158 11.1158 15.8962 15.8962 16.0198 16.0198 16.1984 16.1984 20.2423 20.2423 k = 0.0000 0.0200-0.0000 ( 2693 PWs) bands (ev): -11.5472 -11.5472 -10.9875 -10.9875 -10.8716 -10.8716 -10.8134 -10.8134 -10.1504 -10.1504 -10.0792 -10.0792 -9.9154 -9.9154 -9.8265 -9.8265 -9.7238 -9.7238 -9.7131 -9.7131 -9.1879 -9.1879 -7.3868 -7.3868 -7.3495 -7.3495 -5.4686 -5.4686 1.5988 1.5988 5.6190 5.6190 5.7072 5.7072 5.7536 5.7536 6.6189 6.6189 7.7449 7.7449 7.8782 7.8782 8.4988 8.4988 8.5180 8.5180 8.9845 8.9845 9.0124 9.0124 9.7456 9.7456 11.0817 11.0817 15.9146 15.9146 16.0037 16.0037 16.1897 16.1897 20.2326 20.2326 k = 0.0000 0.0100-0.0000 ( 2697 PWs) bands (ev): -11.5481 -11.5481 -10.9871 -10.9871 -10.8716 -10.8716 -10.8128 -10.8128 -10.1504 -10.1504 -10.0793 -10.0793 -9.9155 -9.9155 -9.8257 -9.8257 -9.7238 -9.7238 -9.7128 -9.7128 -9.1897 -9.1897 -7.3869 -7.3869 -7.3492 -7.3492 -5.4672 -5.4672 1.5946 1.5946 5.6248 5.6248 5.7084 5.7084 5.7537 5.7537 6.6149 6.6149 7.7496 7.7496 7.8725 7.8725 8.4983 8.4983 8.5173 8.5173 8.9938 8.9938 9.0202 9.0202 9.7490 9.7490 11.0608 11.0608 15.9299 15.9299 15.9898 15.9898 16.1845 16.1845 20.2267 20.2267 k = 0.0000 0.0000 0.0000 ( 2697 PWs) bands (ev): -11.5484 -11.5484 -10.9870 -10.9870 -10.8716 -10.8716 -10.8126 -10.8126 -10.1504 -10.1504 -10.0793 -10.0793 -9.9155 -9.9155 -9.8254 -9.8254 -9.7238 -9.7238 -9.7128 -9.7128 -9.1903 -9.1903 -7.3871 -7.3871 -7.3489 -7.3489 -5.4668 -5.4668 1.5932 1.5932 5.6264 5.6264 5.7090 5.7090 5.7539 5.7539 6.6136 6.6136 7.7512 7.7512 7.8706 7.8706 8.4981 8.4981 8.5170 8.5170 8.9955 8.9955 9.0241 9.0241 9.7501 9.7501 11.0537 11.0537 15.9369 15.9369 15.9832 15.9832 16.1828 16.1828 20.2248 20.2248 k = 0.0000 0.0000 0.0000 ( 2697 PWs) bands (ev): -11.5484 -11.5484 -10.9870 -10.9870 -10.8716 -10.8716 -10.8126 -10.8126 -10.1504 -10.1504 -10.0793 -10.0793 -9.9155 -9.9155 -9.8254 -9.8254 -9.7238 -9.7238 -9.7128 -9.7128 -9.1903 -9.1903 -7.3871 -7.3871 -7.3489 -7.3489 -5.4668 -5.4668 1.5932 1.5932 5.6264 5.6264 5.7090 5.7090 5.7539 5.7539 6.6136 6.6136 7.7512 7.7512 7.8706 7.8706 8.4981 8.4981 8.5170 8.5170 8.9955 8.9955 9.0241 9.0241 9.7501 9.7501 11.0537 11.0537 15.9369 15.9369 15.9832 15.9832 16.1828 16.1828 20.2248 20.2248 k = 0.0000 0.0000 0.0100 ( 2697 PWs) bands (ev): -11.5481 -11.5481 -10.9871 -10.9871 -10.8716 -10.8716 -10.8128 -10.8128 -10.1504 -10.1504 -10.0793 -10.0793 -9.9155 -9.9155 -9.8257 -9.8257 -9.7238 -9.7238 -9.7128 -9.7128 -9.1897 -9.1897 -7.3875 -7.3875 -7.3486 -7.3486 -5.4672 -5.4672 1.5946 1.5946 5.6249 5.6249 5.7084 5.7084 5.7537 5.7537 6.6149 6.6149 7.7496 7.7496 7.8725 7.8725 8.4984 8.4984 8.5172 8.5172 8.9912 8.9912 9.0228 9.0228 9.7490 9.7490 11.0607 11.0607 15.9304 15.9304 15.9891 15.9891 16.1847 16.1847 20.2267 20.2267 k = 0.0000 0.0000 0.0199 ( 2695 PWs) bands (ev): -11.5472 -11.5472 -10.9875 -10.9875 -10.8716 -10.8716 -10.8134 -10.8134 -10.1504 -10.1504 -10.0792 -10.0792 -9.9154 -9.9154 -9.8265 -9.8265 -9.7238 -9.7238 -9.7131 -9.7131 -9.1879 -9.1879 -7.3894 -7.3894 -7.3469 -7.3469 -5.4686 -5.4686 1.5988 1.5988 5.6193 5.6193 5.7070 5.7070 5.7536 5.7536 6.6188 6.6188 7.7448 7.7448 7.8781 7.8781 8.4992 8.4992 8.5176 8.5176 8.9765 8.9765 9.0206 9.0206 9.7455 9.7455 11.0816 11.0816 15.9159 15.9159 16.0018 16.0018 16.1904 16.1904 20.2326 20.2326 k = 0.0000 0.0000 0.0299 ( 2695 PWs) bands (ev): -11.5457 -11.5457 -10.9881 -10.9881 -10.8717 -10.8717 -10.8144 -10.8144 -10.1503 -10.1503 -10.0791 -10.0791 -9.9154 -9.9154 -9.8278 -9.8278 -9.7239 -9.7239 -9.7135 -9.7135 -9.1850 -9.1850 -7.3939 -7.3939 -7.3427 -7.3427 -5.4709 -5.4709 1.6059 1.6059 5.6073 5.6073 5.7059 5.7059 5.7550 5.7550 6.6253 6.6253 7.7368 7.7368 7.8873 7.8873 8.5005 8.5005 8.5183 8.5183 8.9502 8.9502 9.0196 9.0196 9.7398 9.7398 11.1156 11.1156 15.8983 15.8983 16.0167 16.0167 16.1997 16.1997 20.2423 20.2423 k = 0.0000 0.0000 0.0398 ( 2691 PWs) bands (ev): -11.5436 -11.5436 -10.9890 -10.9890 -10.8717 -10.8717 -10.8158 -10.8158 -10.1502 -10.1502 -10.0790 -10.0790 -9.9154 -9.9154 -9.8297 -9.8297 -9.7239 -9.7239 -9.7140 -9.7140 -9.1810 -9.1810 -7.4021 -7.4021 -7.3350 -7.3350 -5.4742 -5.4742 1.6158 1.6158 5.5866 5.5866 5.7072 5.7072 5.7586 5.7586 6.6344 6.6344 7.7257 7.7257 7.8996 7.8996 8.5022 8.5022 8.5193 8.5193 8.9133 8.9133 9.0197 9.0197 9.7319 9.7319 11.1616 11.1616 15.8789 15.8789 16.0323 16.0323 16.2125 16.2125 20.2558 20.2558 k = 0.0000 0.0000 0.0498 ( 2691 PWs) bands (ev): -11.5409 -11.5409 -10.9901 -10.9901 -10.8718 -10.8718 -10.8175 -10.8175 -10.1501 -10.1501 -10.0788 -10.0788 -9.9153 -9.9153 -9.8321 -9.8321 -9.7240 -9.7240 -9.7146 -9.7146 -9.1757 -9.1757 -7.4140 -7.4140 -7.3237 -7.3237 -5.4786 -5.4786 1.6285 1.6285 5.5562 5.5562 5.7120 5.7120 5.7648 5.7648 6.6461 6.6461 7.7117 7.7117 7.9146 7.9146 8.5041 8.5041 8.5207 8.5207 8.8676 8.8676 9.0204 9.0204 9.7217 9.7217 11.2186 11.2186 15.8582 15.8582 16.0485 16.0485 16.2284 16.2284 20.2731 20.2731 k = 0.0000 0.0000 0.0597 ( 2693 PWs) bands (ev): -11.5376 -11.5376 -10.9916 -10.9916 -10.8719 -10.8719 -10.8196 -10.8196 -10.1499 -10.1499 -10.0787 -10.0787 -9.9153 -9.9153 -9.8349 -9.8349 -9.7241 -9.7241 -9.7154 -9.7154 -9.1693 -9.1693 -7.4293 -7.4293 -7.3090 -7.3090 -5.4840 -5.4840 1.6441 1.6441 5.5166 5.5166 5.7204 5.7204 5.7732 5.7732 6.6603 6.6603 7.6948 7.6948 7.9319 7.9319 8.5062 8.5062 8.5225 8.5225 8.8144 8.8144 9.0216 9.0216 9.7094 9.7094 11.2851 11.2851 15.8364 15.8364 16.0653 16.0653 16.2472 16.2472 20.2941 20.2941 k = 0.0000 0.0000 0.0697 ( 2693 PWs) bands (ev): -11.5337 -11.5337 -10.9934 -10.9934 -10.8720 -10.8720 -10.8220 -10.8220 -10.1497 -10.1497 -10.0786 -10.0786 -9.9152 -9.9152 -9.8381 -9.8381 -9.7242 -9.7242 -9.7162 -9.7162 -9.1616 -9.1616 -7.4476 -7.4476 -7.2914 -7.2914 -5.4905 -5.4905 1.6625 1.6625 5.4691 5.4691 5.7319 5.7319 5.7836 5.7836 6.6770 6.6770 7.6752 7.6752 7.9508 7.9508 8.5084 8.5084 8.5248 8.5248 8.7552 8.7552 9.0232 9.0232 9.6950 9.6950 11.3599 11.3599 15.8134 15.8134 16.0830 16.0830 16.2684 16.2684 20.3185 20.3185 k = 0.0000 0.0000 0.0796 ( 2695 PWs) bands (ev): -11.5293 -11.5293 -10.9956 -10.9956 -10.8722 -10.8722 -10.8247 -10.8247 -10.1495 -10.1495 -10.0785 -10.0785 -9.9151 -9.9151 -9.8417 -9.8417 -9.7244 -9.7244 -9.7170 -9.7170 -9.1527 -9.1527 -7.4688 -7.4688 -7.2710 -7.2710 -5.4983 -5.4983 1.6837 1.6837 5.4146 5.4146 5.7462 5.7462 5.7961 5.7961 6.6962 6.6962 7.6531 7.6531 7.9709 7.9709 8.5105 8.5105 8.5274 8.5274 8.6910 8.6910 9.0251 9.0251 9.6785 9.6785 11.4419 11.4419 15.7891 15.7891 16.1018 16.1018 16.2919 16.2919 20.3464 20.3464 k = 0.0000 0.0000 0.0896 ( 2691 PWs) bands (ev): -11.5243 -11.5243 -10.9982 -10.9982 -10.8723 -10.8723 -10.8276 -10.8276 -10.1493 -10.1493 -10.0785 -10.0785 -9.9150 -9.9150 -9.8456 -9.8456 -9.7245 -9.7245 -9.7179 -9.7179 -9.1425 -9.1425 -7.4926 -7.4926 -7.2479 -7.2479 -5.5073 -5.5073 1.7079 1.7079 5.3541 5.3541 5.7629 5.7629 5.8104 5.8104 6.7178 6.7178 7.6286 7.6286 7.9916 7.9916 8.5124 8.5124 8.5303 8.5303 8.6231 8.6231 9.0273 9.0273 9.6602 9.6602 11.5300 11.5300 15.7635 15.7635 16.1219 16.1219 16.3174 16.3174 20.3773 20.3773 k = 0.0000 0.0000 0.0995 ( 2697 PWs) bands (ev): -11.5187 -11.5187 -11.0012 -11.0012 -10.8725 -10.8725 -10.8308 -10.8308 -10.1490 -10.1490 -10.0786 -10.0786 -9.9149 -9.9149 -9.8497 -9.8497 -9.7247 -9.7247 -9.7188 -9.7188 -9.1310 -9.1310 -7.5188 -7.5188 -7.2225 -7.2225 -5.5176 -5.5176 1.7348 1.7348 5.2883 5.2883 5.7818 5.7818 5.8266 5.8266 6.7418 6.7418 7.6017 7.6017 8.0123 8.0123 8.5139 8.5139 8.5332 8.5332 8.5530 8.5530 9.0297 9.0297 9.6402 9.6402 11.6232 11.6232 15.7362 15.7362 16.1434 16.1434 16.3445 16.3445 20.4112 20.4112 k = 0.0000 0.0000 0.1095 ( 2697 PWs) bands (ev): -11.5125 -11.5125 -11.0047 -11.0047 -10.8727 -10.8727 -10.8340 -10.8340 -10.1487 -10.1487 -10.0788 -10.0788 -9.9148 -9.9148 -9.8541 -9.8541 -9.7249 -9.7249 -9.7197 -9.7197 -9.1183 -9.1183 -7.5472 -7.5472 -7.1947 -7.1947 -5.5294 -5.5294 1.7647 1.7647 5.2180 5.2180 5.8028 5.8028 5.8446 5.8446 6.7681 6.7681 7.5728 7.5728 8.0324 8.0324 8.4776 8.4776 8.5174 8.5174 8.5373 8.5373 9.0323 9.0323 9.6185 9.6185 11.7209 11.7209 15.7072 15.7072 16.1665 16.1665 16.3731 16.3731 20.4475 20.4475 k = 0.0000 0.0000 0.1195 ( 2694 PWs) bands (ev): -11.5058 -11.5058 -11.0087 -11.0087 -10.8729 -10.8729 -10.8374 -10.8374 -10.1483 -10.1483 -10.0792 -10.0792 -9.9146 -9.9146 -9.8585 -9.8585 -9.7251 -9.7251 -9.7205 -9.7205 -9.1043 -9.1043 -7.5777 -7.5777 -7.1648 -7.1648 -5.5426 -5.5426 1.7974 1.7974 5.1436 5.1436 5.8257 5.8257 5.8644 5.8644 6.7966 6.7966 7.5420 7.5420 8.0513 8.0513 8.4036 8.4036 8.5188 8.5188 8.5407 8.5407 9.0352 9.0352 9.5954 9.5954 11.8223 11.8223 15.6763 15.6763 16.1912 16.1912 16.4029 16.4029 20.4859 20.4859 k = 0.0000 0.0000 0.1294 ( 2694 PWs) bands (ev): -11.4985 -11.4985 -11.0132 -11.0132 -10.8731 -10.8731 -10.8409 -10.8409 -10.1479 -10.1479 -10.0797 -10.0797 -9.9145 -9.9145 -9.8629 -9.8629 -9.7253 -9.7253 -9.7214 -9.7214 -9.0889 -9.0889 -7.6100 -7.6100 -7.1329 -7.1329 -5.5574 -5.5574 1.8330 1.8330 5.0658 5.0658 5.8504 5.8504 5.8860 5.8860 6.8274 6.8274 7.5093 7.5093 8.0681 8.0681 8.3287 8.3287 8.5206 8.5206 8.5441 8.5441 9.0383 9.0383 9.5711 9.5711 11.9269 11.9269 15.6432 15.6432 16.2176 16.2176 16.4338 16.4338 20.5257 20.5257 k = 0.0000 0.0000 0.1394 ( 2694 PWs) bands (ev): -11.4907 -11.4907 -11.0184 -11.0184 -10.8733 -10.8733 -10.8443 -10.8443 -10.1475 -10.1475 -10.0804 -10.0804 -9.9144 -9.9144 -9.8674 -9.8674 -9.7255 -9.7255 -9.7222 -9.7222 -9.0722 -9.0722 -7.6442 -7.6442 -7.0991 -7.0991 -5.5738 -5.5738 1.8715 1.8715 4.9848 4.9848 5.8766 5.8766 5.9096 5.9096 6.8602 6.8602 7.4750 7.4750 8.0811 8.0811 8.2550 8.2550 8.5224 8.5224 8.5474 8.5474 9.0416 9.0416 9.5457 9.5457 12.0341 12.0341 15.6079 15.6079 16.2457 16.2457 16.4655 16.4655 20.5662 20.5662 k = 0.0000 0.0000 0.1493 ( 2696 PWs) bands (ev): -11.4824 -11.4824 -11.0243 -11.0243 -10.8735 -10.8735 -10.8477 -10.8477 -10.1470 -10.1470 -10.0813 -10.0813 -9.9142 -9.9142 -9.8717 -9.8717 -9.7258 -9.7258 -9.7230 -9.7230 -9.0541 -9.0541 -7.6799 -7.6799 -7.0636 -7.0636 -5.5917 -5.5917 1.9127 1.9127 4.9013 4.9013 5.9043 5.9043 5.9351 5.9351 6.8950 6.8950 7.4392 7.4392 8.0846 8.0846 8.1883 8.1883 8.5244 8.5244 8.5507 8.5507 9.0450 9.0450 9.5195 9.5195 12.1435 12.1435 15.5701 15.5701 16.2753 16.2753 16.4977 16.4977 20.6063 20.6063 k = 0.0000 0.0000 0.1593 ( 2692 PWs) bands (ev): -11.4735 -11.4735 -11.0308 -11.0308 -10.8738 -10.8738 -10.8510 -10.8510 -10.1464 -10.1464 -10.0825 -10.0825 -9.9141 -9.9141 -9.8759 -9.8759 -9.7260 -9.7260 -9.7237 -9.7237 -9.0347 -9.0347 -7.7170 -7.7170 -7.0265 -7.0265 -5.6114 -5.6114 1.9568 1.9568 4.8156 4.8156 5.9332 5.9332 5.9628 5.9628 6.9317 6.9317 7.4020 7.4020 8.0572 8.0572 8.1499 8.1499 8.5264 8.5264 8.5537 8.5537 9.0486 9.0486 9.4927 9.4927 12.2547 12.2547 15.5297 15.5297 16.3065 16.3065 16.5304 16.5304 20.6451 20.6451 k = 0.0000 0.0000 0.1692 ( 2696 PWs) bands (ev): -11.4642 -11.4642 -11.0380 -11.0380 -10.8740 -10.8740 -10.8542 -10.8542 -10.1458 -10.1458 -10.0839 -10.0839 -9.9139 -9.9139 -9.8798 -9.8798 -9.7263 -9.7263 -9.7244 -9.7244 -9.0140 -9.0140 -7.7553 -7.7553 -6.9879 -6.9879 -5.6327 -5.6327 2.0037 2.0037 4.7279 4.7279 5.9630 5.9630 5.9927 5.9927 6.9701 6.9701 7.3637 7.3637 7.9943 7.9943 8.1443 8.1443 8.5284 8.5284 8.5564 8.5564 9.0524 9.0524 9.4657 9.4657 12.3674 12.3674 15.4865 15.4865 16.3391 16.3391 16.5631 16.5631 20.6814 20.6814 k = 0.0000 0.0000 0.1792 ( 2690 PWs) bands (ev): -11.4543 -11.4543 -11.0460 -11.0460 -10.8743 -10.8743 -10.8571 -10.8571 -10.1452 -10.1452 -10.0854 -10.0854 -9.9137 -9.9137 -9.8835 -9.8835 -9.7265 -9.7265 -9.7250 -9.7250 -8.9919 -8.9919 -7.7948 -7.7948 -6.9479 -6.9479 -5.6557 -5.6557 2.0534 2.0534 4.6386 4.6386 5.9937 5.9937 6.0250 6.0250 7.0100 7.0100 7.3244 7.3244 7.9210 7.9210 8.1464 8.1464 8.5304 8.5304 8.5590 8.5590 9.0563 9.0563 9.4386 9.4386 12.4811 12.4811 15.4403 15.4403 16.3730 16.3730 16.5957 16.5957 20.7145 20.7145 k = 0.0000 0.0000 0.1891 ( 2696 PWs) bands (ev): -11.4440 -11.4440 -11.0546 -11.0546 -10.8745 -10.8745 -10.8599 -10.8599 -10.1445 -10.1445 -10.0872 -10.0872 -9.9136 -9.9136 -9.8870 -9.8870 -9.7268 -9.7268 -9.7257 -9.7257 -8.9685 -8.9685 -7.8353 -7.8353 -6.9068 -6.9068 -5.6804 -5.6804 2.1058 2.1058 4.5481 4.5481 6.0253 6.0253 6.0595 6.0595 7.0511 7.0511 7.2845 7.2845 7.8454 7.8454 8.1481 8.1481 8.5325 8.5325 8.5612 8.5612 9.0604 9.0604 9.4117 9.4117 12.5957 12.5957 15.3911 15.3911 16.4078 16.4078 16.6279 16.6279 20.7435 20.7435 k = 0.0000 0.0000 0.1991 ( 2696 PWs) bands (ev): -11.4332 -11.4332 -11.0640 -11.0640 -10.8748 -10.8748 -10.8624 -10.8624 -10.1437 -10.1437 -10.0892 -10.0892 -9.9134 -9.9134 -9.8902 -9.8902 -9.7270 -9.7270 -9.7262 -9.7262 -8.9438 -8.9438 -7.8765 -7.8765 -6.8645 -6.8645 -5.7067 -5.7067 2.1608 2.1608 4.4565 4.4565 6.0577 6.0577 6.0962 6.0962 7.0924 7.0924 7.2449 7.2449 7.7693 7.7693 8.1473 8.1473 8.5347 8.5347 8.5632 8.5632 9.0646 9.0646 9.3852 9.3852 12.7109 12.7109 15.3386 15.3386 16.4436 16.4436 16.6594 16.6594 20.7682 20.7682 k = 0.0000 0.0000 0.2090 ( 2698 PWs) bands (ev): -11.4220 -11.4220 -11.0741 -11.0741 -10.8751 -10.8751 -10.8647 -10.8647 -10.1429 -10.1429 -10.0914 -10.0914 -9.9132 -9.9132 -9.8930 -9.8930 -9.7273 -9.7273 -9.7267 -9.7267 -8.9178 -8.9178 -7.9185 -7.9185 -6.8213 -6.8213 -5.7348 -5.7348 2.2185 2.2185 4.3641 4.3641 6.0910 6.0910 6.1349 6.1349 7.1299 7.1299 7.2098 7.2098 7.6934 7.6934 8.1435 8.1435 8.5368 8.5368 8.5649 8.5649 9.0689 9.0689 9.3596 9.3596 12.8264 12.8264 15.2829 15.2829 16.4798 16.4798 16.6899 16.6899 20.7885 20.7885 k = 0.0000 0.0000 0.2190 ( 2698 PWs) bands (ev): -11.4103 -11.4103 -11.0848 -11.0848 -10.8753 -10.8753 -10.8668 -10.8668 -10.1420 -10.1420 -10.0937 -10.0937 -9.9130 -9.9130 -9.8956 -9.8956 -9.7276 -9.7276 -9.7272 -9.7272 -8.8904 -8.8904 -7.9610 -7.9610 -6.7773 -6.7773 -5.7645 -5.7645 2.2788 2.2788 4.2711 4.2711 6.1252 6.1252 6.1756 6.1756 7.1356 7.1356 7.2068 7.2068 7.6180 7.6180 8.1361 8.1361 8.5390 8.5390 8.5662 8.5662 9.0734 9.0734 9.3349 9.3349 12.9419 12.9419 15.2238 15.2238 16.5164 16.5164 16.7190 16.7190 20.8044 20.8044 k = 0.0000 0.0000 0.2290 ( 2694 PWs) bands (ev): -11.3983 -11.3983 -11.0961 -11.0961 -10.8756 -10.8756 -10.8686 -10.8686 -10.1410 -10.1410 -10.0961 -10.0961 -9.9128 -9.9128 -9.8979 -9.8979 -9.7278 -9.7278 -9.7276 -9.7276 -8.8618 -8.8618 -8.0040 -8.0040 -6.7326 -6.7326 -5.7957 -5.7957 2.3416 2.3416 4.1778 4.1778 6.1605 6.1605 6.2180 6.2180 7.1017 7.1017 7.2440 7.2440 7.5434 7.5434 8.1250 8.1250 8.5412 8.5412 8.5673 8.5673 9.0780 9.0780 9.3113 9.3113 13.0573 13.0573 15.1613 15.1613 16.5529 16.5529 16.7464 16.7464 20.8164 20.8164 k = 0.0000 0.0000 0.2389 ( 2694 PWs) bands (ev): -11.3858 -11.3858 -11.1080 -11.1080 -10.8759 -10.8759 -10.8702 -10.8702 -10.1399 -10.1399 -10.0987 -10.0987 -9.9126 -9.9126 -9.8999 -9.8999 -9.7281 -9.7281 -9.7280 -9.7280 -8.8320 -8.8320 -8.0472 -8.0472 -6.6872 -6.6872 -5.8286 -5.8286 2.4068 2.4068 4.0843 4.0843 6.1968 6.1968 6.2622 6.2622 7.0599 7.0599 7.2894 7.2894 7.4697 7.4697 8.1101 8.1101 8.5434 8.5434 8.5681 8.5681 9.0828 9.0828 9.2891 9.2891 13.1723 13.1723 15.0954 15.0954 16.5891 16.5891 16.7718 16.7718 20.8249 20.8249 k = 0.0000 0.0000 0.2489 ( 2696 PWs) bands (ev): -11.3730 -11.3730 -11.1205 -11.1205 -10.8761 -10.8761 -10.8716 -10.8716 -10.1387 -10.1387 -10.1013 -10.1013 -9.9124 -9.9124 -9.9017 -9.9017 -9.7283 -9.7283 -9.7283 -9.7283 -8.8009 -8.8009 -8.0906 -8.0906 -6.6414 -6.6414 -5.8629 -5.8629 2.4744 2.4744 3.9908 3.9908 6.2340 6.2340 6.3081 6.3081 7.0161 7.0161 7.3368 7.3368 7.3974 7.3974 8.0914 8.0914 8.5456 8.5456 8.5687 8.5687 9.0877 9.0877 9.2683 9.2683 13.2866 13.2866 15.0260 15.0260 16.6246 16.6246 16.7948 16.7948 20.8306 20.8306 k = 0.0000 0.0000 0.2588 ( 2700 PWs) bands (ev): -11.3599 -11.3599 -11.1334 -11.1334 -10.8763 -10.8763 -10.8728 -10.8728 -10.1375 -10.1375 -10.1039 -10.1039 -9.9122 -9.9122 -9.9032 -9.9032 -9.7286 -9.7286 -9.7285 -9.7285 -8.7687 -8.7687 -8.1342 -8.1342 -6.5953 -6.5953 -5.8987 -5.8987 2.5444 2.5444 3.8975 3.8975 6.2722 6.2722 6.3556 6.3556 6.9716 6.9716 7.3244 7.3244 7.3870 7.3870 8.0690 8.0690 8.5478 8.5478 8.5689 8.5689 9.0928 9.0928 9.2491 9.2491 13.4002 13.4002 14.9532 14.9532 16.6590 16.6590 16.8152 16.8152 20.8340 20.8340 k = 0.0000 0.0000 0.2688 ( 2696 PWs) bands (ev): -11.3465 -11.3465 -11.1467 -11.1467 -10.8765 -10.8765 -10.8738 -10.8738 -10.1361 -10.1361 -10.1066 -10.1066 -9.9120 -9.9120 -9.9045 -9.9045 -9.7289 -9.7289 -9.7287 -9.7287 -8.7353 -8.7353 -8.1777 -8.1777 -6.5489 -6.5489 -5.9358 -5.9358 2.6165 2.6165 3.8046 3.8046 6.3113 6.3113 6.4047 6.4047 6.9267 6.9267 7.2542 7.2542 7.4361 7.4361 8.0429 8.0429 8.5499 8.5499 8.5689 8.5689 9.0981 9.0981 9.2314 9.2314 13.5127 13.5127 14.8769 14.8769 16.6919 16.6919 16.8325 16.8325 20.8359 20.8359 k = 0.0000 0.0000 0.2787 ( 2700 PWs) bands (ev): -11.3328 -11.3328 -11.1603 -11.1603 -10.8767 -10.8767 -10.8746 -10.8746 -10.1347 -10.1347 -10.1092 -10.1092 -9.9118 -9.9118 -9.9057 -9.9057 -9.7291 -9.7291 -9.7289 -9.7289 -8.7008 -8.7008 -8.2210 -8.2210 -6.5023 -6.5023 -5.9742 -5.9742 2.6908 2.6908 3.7122 3.7122 6.3513 6.3513 6.4552 6.4552 6.8816 6.8816 7.1850 7.1850 7.4859 7.4859 8.0133 8.0133 8.5520 8.5520 8.5687 8.5687 9.1036 9.1036 9.2152 9.2152 13.6240 13.6240 14.7974 14.7974 16.7230 16.7230 16.8466 16.8466 20.8372 20.8372 k = 0.0000 0.0000 0.2887 ( 2696 PWs) bands (ev): -11.3188 -11.3188 -11.1743 -11.1743 -10.8769 -10.8769 -10.8753 -10.8753 -10.1331 -10.1331 -10.1118 -10.1118 -9.9115 -9.9115 -9.9067 -9.9067 -9.7293 -9.7293 -9.7291 -9.7291 -8.6653 -8.6653 -8.2642 -8.2642 -6.4558 -6.4558 -6.0138 -6.0138 2.7671 2.7671 3.6204 3.6204 6.3921 6.3921 6.5071 6.5071 6.8367 6.8367 7.1170 7.1170 7.5358 7.5358 7.9805 7.9805 8.5541 8.5541 8.5682 8.5682 9.1094 9.1094 9.2004 9.2004 13.7339 13.7339 14.7146 14.7146 16.7519 16.7519 16.8571 16.8571 20.8385 20.8385 k = 0.0000 0.0000 0.2986 ( 2704 PWs) bands (ev): -11.3047 -11.3047 -11.1885 -11.1885 -10.8770 -10.8770 -10.8759 -10.8759 -10.1315 -10.1315 -10.1144 -10.1144 -9.9112 -9.9112 -9.9075 -9.9075 -9.7294 -9.7294 -9.7292 -9.7292 -8.6287 -8.6287 -8.3070 -8.3070 -6.4094 -6.4094 -6.0545 -6.0545 2.8454 2.8454 3.5294 3.5294 6.4336 6.4336 6.5600 6.5600 6.7922 6.7922 7.0503 7.0503 7.5855 7.5855 7.9447 7.9447 8.5560 8.5560 8.5675 8.5675 9.1156 9.1156 9.1871 9.1871 13.8421 13.8421 14.6286 14.6286 16.7782 16.7782 16.8639 16.8639 20.8405 20.8405 k = 0.0000 0.0000 0.3086 ( 2704 PWs) bands (ev): -11.2903 -11.2903 -11.2029 -11.2029 -10.8771 -10.8771 -10.8763 -10.8763 -10.1297 -10.1297 -10.1168 -10.1168 -9.9110 -9.9110 -9.9082 -9.9082 -9.7295 -9.7295 -9.7294 -9.7294 -8.5912 -8.5912 -8.3495 -8.3495 -6.3631 -6.3631 -6.0963 -6.0963 2.9255 2.9255 3.4393 3.4393 6.4757 6.4757 6.6127 6.6127 6.7495 6.7495 6.9849 6.9849 7.6347 7.6347 7.9062 7.9062 8.5579 8.5579 8.5666 8.5666 9.1221 9.1221 9.1750 9.1750 13.9486 13.9486 14.5395 14.5395 16.8017 16.8017 16.8668 16.8668 20.8438 20.8438 k = 0.0000 0.0000 0.3185 ( 2702 PWs) bands (ev): -11.2759 -11.2759 -11.2174 -11.2174 -10.8771 -10.8771 -10.8767 -10.8767 -10.1278 -10.1278 -10.1192 -10.1192 -9.9106 -9.9106 -9.9089 -9.9089 -9.7296 -9.7296 -9.7295 -9.7295 -8.5528 -8.5528 -8.3914 -8.3914 -6.3172 -6.3172 -6.1390 -6.1390 3.0074 3.0074 3.3503 3.3503 6.5183 6.5183 6.6562 6.6562 6.7179 6.7179 6.9211 6.9211 7.6833 7.6833 7.8653 7.8653 8.5597 8.5597 8.5656 8.5656 9.1292 9.1292 9.1640 9.1640 14.0530 14.0530 14.4475 14.4475 16.8218 16.8218 16.8657 16.8657 20.8490 20.8490 k = 0.0000 0.0000 0.3285 ( 2698 PWs) bands (ev): -11.2613 -11.2613 -11.2320 -11.2320 -10.8771 -10.8771 -10.8769 -10.8769 -10.1258 -10.1258 -10.1215 -10.1215 -9.9103 -9.9103 -9.9094 -9.9094 -9.7296 -9.7296 -9.7295 -9.7295 -8.5135 -8.5135 -8.4328 -8.4328 -6.2718 -6.2718 -6.1826 -6.1826 3.0910 3.0910 3.2625 3.2625 6.5612 6.5612 6.6437 6.6437 6.7439 6.7439 6.8590 6.8590 7.7310 7.7310 7.8222 7.8222 8.5614 8.5614 8.5643 8.5643 9.1368 9.1368 9.1541 9.1541 14.1553 14.1553 14.3528 14.3528 16.8385 16.8385 16.8606 16.8606 20.8565 20.8565 k = 0.0000 0.0000 0.3385 ( 2696 PWs) bands (ev): -11.2467 -11.2467 -11.2467 -11.2467 -10.8771 -10.8771 -10.8771 -10.8771 -10.1238 -10.1238 -10.1238 -10.1238 -9.9099 -9.9099 -9.9099 -9.9099 -9.7296 -9.7296 -9.7296 -9.7296 -8.4735 -8.4735 -8.4735 -8.4735 -6.2268 -6.2268 -6.2268 -6.2268 3.1760 3.1760 3.1760 3.1760 6.6039 6.6039 6.6039 6.6039 6.7991 6.7991 6.7991 6.7991 7.7774 7.7774 7.7774 7.7774 8.5629 8.5629 8.5629 8.5629 9.1450 9.1450 9.1450 9.1450 14.2553 14.2553 14.2553 14.2553 16.8515 16.8515 16.8515 16.8515 20.8665 20.8665 k = 0.0000 0.0000 0.3385 ( 2696 PWs) bands (ev): -11.2467 -11.2467 -11.2467 -11.2467 -10.8771 -10.8771 -10.8771 -10.8771 -10.1238 -10.1238 -10.1238 -10.1238 -9.9099 -9.9099 -9.9099 -9.9099 -9.7296 -9.7296 -9.7296 -9.7296 -8.4735 -8.4735 -8.4735 -8.4735 -6.2268 -6.2268 -6.2268 -6.2268 3.1760 3.1760 3.1760 3.1760 6.6039 6.6039 6.6039 6.6039 6.7991 6.7991 6.7991 6.7991 7.7774 7.7774 7.7774 7.7774 8.5629 8.5629 8.5629 8.5629 9.1450 9.1450 9.1450 9.1450 14.2553 14.2553 14.2553 14.2553 16.8515 16.8515 16.8515 16.8515 20.8665 20.8665 k = 0.0100-0.0000 0.3385 ( 2706 PWs) bands (ev): -11.2486 -11.2486 -11.2443 -11.2443 -10.8811 -10.8811 -10.8735 -10.8735 -10.1273 -10.1273 -10.1204 -10.1204 -9.9175 -9.9175 -9.9029 -9.9029 -9.7304 -9.7304 -9.7290 -9.7290 -8.4745 -8.4745 -8.4704 -8.4704 -6.2263 -6.2263 -6.2262 -6.2262 3.1756 3.1756 3.1769 3.1769 6.5557 6.5557 6.5958 6.5958 6.8080 6.8080 6.8414 6.8414 7.7755 7.7755 7.7791 7.7791 8.5608 8.5608 8.5612 8.5612 9.1446 9.1446 9.1446 9.1446 14.2578 14.2578 14.2580 14.2580 16.8546 16.8546 16.8562 16.8562 20.8421 20.8421 k = 0.0200-0.0000 0.3385 ( 2706 PWs) bands (ev): -11.2501 -11.2501 -11.2414 -11.2414 -10.8855 -10.8855 -10.8703 -10.8703 -10.1310 -10.1310 -10.1172 -10.1172 -9.9256 -9.9256 -9.8966 -9.8966 -9.7314 -9.7314 -9.7288 -9.7288 -8.4734 -8.4734 -8.4651 -8.4651 -6.2246 -6.2246 -6.2245 -6.2245 3.1757 3.1757 3.1782 3.1782 6.4840 6.4840 6.5398 6.5398 6.8596 6.8596 6.9018 6.9018 7.7736 7.7736 7.7807 7.7807 8.5550 8.5550 8.5557 8.5557 9.1432 9.1432 9.1433 9.1433 14.2655 14.2655 14.2659 14.2659 16.8655 16.8655 16.8687 16.8687 20.8087 20.8087 k = 0.0300-0.0000 0.3385 ( 2706 PWs) bands (ev): -11.2512 -11.2512 -11.2382 -11.2382 -10.8904 -10.8904 -10.8677 -10.8677 -10.1349 -10.1349 -10.1143 -10.1143 -9.9342 -9.9342 -9.8911 -9.8911 -9.7327 -9.7327 -9.7288 -9.7288 -8.4701 -8.4701 -8.4579 -8.4579 -6.2218 -6.2218 -6.2215 -6.2215 3.1763 3.1763 3.1800 3.1800 6.4039 6.4039 6.4666 6.4666 6.9233 6.9233 6.9651 6.9651 7.7715 7.7715 7.7826 7.7826 8.5456 8.5456 8.5466 8.5466 9.1409 9.1409 9.1410 9.1410 14.2784 14.2784 14.2789 14.2789 16.8842 16.8842 16.8889 16.8889 20.7669 20.7669 k = 0.0400-0.0000 0.3385 ( 2702 PWs) bands (ev): -11.2519 -11.2519 -11.2345 -11.2345 -10.8956 -10.8956 -10.8655 -10.8655 -10.1389 -10.1389 -10.1117 -10.1117 -9.9431 -9.9431 -9.8865 -9.8865 -9.7340 -9.7340 -9.7290 -9.7290 -8.4648 -8.4648 -8.4487 -8.4487 -6.2178 -6.2178 -6.2175 -6.2175 3.1773 3.1773 3.1823 3.1823 6.3197 6.3197 6.3866 6.3866 6.9880 6.9880 7.0266 7.0266 7.7696 7.7696 7.7851 7.7851 8.5330 8.5330 8.5343 8.5343 9.1377 9.1377 9.1379 9.1379 14.2963 14.2963 14.2970 14.2970 16.9106 16.9106 16.9167 16.9167 20.7175 20.7175 k = 0.0500-0.0000 0.3385 ( 2706 PWs) bands (ev): -11.2522 -11.2522 -11.2305 -11.2305 -10.9011 -10.9011 -10.8637 -10.8637 -10.1429 -10.1429 -10.1095 -10.1095 -9.9520 -9.9520 -9.8827 -9.8827 -9.7355 -9.7355 -9.7295 -9.7295 -8.4574 -8.4574 -8.4377 -8.4377 -6.2127 -6.2127 -6.2123 -6.2123 3.1787 3.1787 3.1849 3.1849 6.2331 6.2331 6.3033 6.3033 7.0500 7.0500 7.0838 7.0838 7.7682 7.7682 7.7885 7.7885 8.5175 8.5175 8.5190 8.5190 9.1336 9.1336 9.1339 9.1339 14.3191 14.3191 14.3199 14.3199 16.9444 16.9444 16.9518 16.9518 20.6615 20.6615 k = 0.0600-0.0000 0.3385 ( 2706 PWs) bands (ev): -11.2522 -11.2522 -11.2262 -11.2262 -10.9070 -10.9070 -10.8624 -10.8624 -10.1470 -10.1470 -10.1078 -10.1078 -9.9609 -9.9609 -9.8798 -9.8798 -9.7369 -9.7369 -9.7302 -9.7302 -8.4481 -8.4481 -8.4250 -8.4250 -6.2065 -6.2065 -6.2061 -6.2061 3.1806 3.1806 3.1879 3.1879 6.1448 6.1448 6.2178 6.2178 7.1073 7.1073 7.1353 7.1353 7.7679 7.7679 7.7937 7.7937 8.4997 8.4997 8.5013 8.5013 9.1287 9.1287 9.1290 9.1290 14.3467 14.3467 14.3474 14.3474 16.9854 16.9854 16.9940 16.9940 20.5997 20.5997 k = 0.0700-0.0000 0.3385 ( 2694 PWs) bands (ev): -11.2519 -11.2519 -11.2216 -11.2216 -10.9131 -10.9131 -10.8616 -10.8616 -10.1510 -10.1510 -10.1065 -10.1065 -9.9695 -9.9695 -9.8779 -9.8779 -9.7383 -9.7383 -9.7310 -9.7310 -8.4369 -8.4369 -8.4107 -8.4107 -6.1992 -6.1992 -6.1987 -6.1987 3.1828 3.1828 3.1913 3.1913 6.0554 6.0554 6.1310 6.1310 7.1581 7.1581 7.1795 7.1795 7.7695 7.7695 7.8014 7.8014 8.4802 8.4802 8.4819 8.4819 9.1228 9.1228 9.1232 9.1232 14.3787 14.3787 14.3795 14.3795 17.0335 17.0335 17.0431 17.0431 20.5329 20.5329 k = 0.0800-0.0000 0.3385 ( 2690 PWs) bands (ev): -11.2515 -11.2515 -11.2169 -11.2169 -10.9193 -10.9193 -10.8612 -10.8612 -10.1551 -10.1551 -10.1058 -10.1058 -9.9776 -9.9776 -9.8768 -9.8768 -9.7394 -9.7394 -9.7320 -9.7320 -8.4241 -8.4241 -8.3951 -8.3951 -6.1908 -6.1908 -6.1902 -6.1902 3.1853 3.1853 3.1949 3.1949 5.9653 5.9653 6.0433 6.0433 7.2006 7.2006 7.2149 7.2149 7.7743 7.7743 7.8126 7.8126 8.4596 8.4596 8.4613 8.4613 9.1162 9.1162 9.1167 9.1167 14.4151 14.4151 14.4157 14.4157 17.0883 17.0883 17.0988 17.0988 20.4618 20.4618 k = 0.0900-0.0000 0.3385 ( 2688 PWs) bands (ev): -11.2508 -11.2508 -11.2122 -11.2122 -10.9257 -10.9257 -10.8613 -10.8613 -10.1591 -10.1591 -10.1059 -10.1059 -9.9850 -9.9850 -9.8766 -9.8766 -9.7404 -9.7404 -9.7330 -9.7330 -8.4097 -8.4097 -8.3782 -8.3782 -6.1813 -6.1813 -6.1808 -6.1808 3.1881 3.1881 3.1987 3.1987 5.8748 5.8748 5.9550 5.9550 7.2327 7.2327 7.2400 7.2400 7.7834 7.7834 7.8280 7.8280 8.4386 8.4386 8.4402 8.4402 9.1087 9.1087 9.1093 9.1093 14.4554 14.4554 14.4559 14.4559 17.1495 17.1495 17.1606 17.1606 20.3871 20.3871 k = 0.1000-0.0000 0.3385 ( 2688 PWs) bands (ev): -11.2502 -11.2502 -11.2076 -11.2076 -10.9319 -10.9319 -10.8617 -10.8617 -10.1630 -10.1630 -10.1067 -10.1067 -9.9913 -9.9913 -9.8771 -9.8771 -9.7410 -9.7410 -9.7342 -9.7342 -8.3939 -8.3939 -8.3602 -8.3602 -6.1708 -6.1708 -6.1703 -6.1703 3.1911 3.1911 3.2027 3.2027 5.7842 5.7842 5.8667 5.8667 7.2531 7.2531 7.2541 7.2541 7.7980 7.7980 7.8482 7.8482 8.4180 8.4180 8.4194 8.4194 9.1004 9.1004 9.1011 9.1011 14.4996 14.4996 14.4998 14.4998 17.2167 17.2167 17.2283 17.2283 20.3095 20.3095 k = 0.1100-0.0000 0.3385 ( 2688 PWs) bands (ev): -11.2496 -11.2496 -11.2033 -11.2033 -10.9380 -10.9380 -10.8625 -10.8625 -10.1667 -10.1667 -10.1083 -10.1083 -9.9965 -9.9965 -9.8785 -9.8785 -9.7414 -9.7414 -9.7353 -9.7353 -8.3769 -8.3769 -8.3412 -8.3412 -6.1593 -6.1593 -6.1588 -6.1588 3.1942 3.1942 3.2067 3.2067 5.6938 5.6938 5.7784 5.7784 7.2566 7.2566 7.2606 7.2606 7.8187 7.8187 7.8731 7.8731 8.3984 8.3984 8.3996 8.3996 9.0914 9.0914 9.0923 9.0923 14.5470 14.5470 14.5471 14.5471 17.2896 17.2896 17.3013 17.3013 20.2294 20.2294 k = 0.1200-0.0000 0.3385 ( 2692 PWs) bands (ev): -11.2490 -11.2490 -11.1995 -11.1995 -10.9438 -10.9438 -10.8636 -10.8636 -10.1703 -10.1703 -10.1107 -10.1107 -10.0005 -10.0005 -9.8804 -9.8804 -9.7414 -9.7414 -9.7365 -9.7365 -8.3588 -8.3588 -8.3215 -8.3215 -6.1469 -6.1469 -6.1464 -6.1464 3.1973 3.1973 3.2107 3.2107 5.6039 5.6039 5.6907 5.6907 7.2480 7.2480 7.2553 7.2553 7.8450 7.8450 7.9019 7.9019 8.3805 8.3805 8.3815 8.3815 9.0817 9.0817 9.0827 9.0827 14.5974 14.5974 14.5978 14.5978 17.3677 17.3677 17.3792 17.3792 20.1476 20.1476 k = 0.1300-0.0000 0.3385 ( 2692 PWs) bands (ev): -11.2487 -11.2487 -11.1963 -11.1963 -10.9490 -10.9490 -10.8650 -10.8650 -10.1737 -10.1737 -10.1138 -10.1138 -10.0031 -10.0031 -9.8828 -9.8828 -9.7412 -9.7412 -9.7377 -9.7377 -8.3398 -8.3398 -8.3011 -8.3011 -6.1336 -6.1336 -6.1331 -6.1331 3.2004 3.2004 3.2145 3.2145 5.5147 5.5147 5.6036 5.6036 7.2289 7.2289 7.2381 7.2381 7.8759 7.8759 7.9336 7.9336 8.3649 8.3649 8.3656 8.3656 9.0713 9.0713 9.0725 9.0725 14.6505 14.6505 14.6514 14.6514 17.4506 17.4506 17.4616 17.4616 20.0644 20.0644 k = 0.1400-0.0000 0.3385 ( 2692 PWs) bands (ev): -11.2487 -11.2487 -11.1940 -11.1940 -10.9535 -10.9535 -10.8666 -10.8666 -10.1768 -10.1768 -10.1175 -10.1175 -10.0045 -10.0045 -9.8856 -9.8856 -9.7406 -9.7406 -9.7389 -9.7389 -8.3200 -8.3200 -8.2802 -8.2802 -6.1194 -6.1194 -6.1189 -6.1189 3.2033 3.2033 3.2181 3.2181 5.4265 5.4265 5.5176 5.5176 7.2006 7.2006 7.2104 7.2104 7.9096 7.9096 7.9668 7.9668 8.3521 8.3521 8.3528 8.3528 9.0602 9.0602 9.0617 9.0617 14.7061 14.7061 14.7075 14.7075 17.5377 17.5377 17.5479 17.5479 19.9803 19.9803 k = 0.1500-0.0000 0.3385 ( 2696 PWs) bands (ev): -11.2492 -11.2492 -11.1928 -11.1928 -10.9570 -10.9570 -10.8684 -10.8684 -10.1796 -10.1796 -10.1216 -10.1216 -10.0046 -10.0046 -9.8888 -9.8888 -9.7401 -9.7401 -9.7398 -9.7398 -8.2996 -8.2996 -8.2589 -8.2589 -6.1043 -6.1043 -6.1039 -6.1039 3.2060 3.2060 3.2213 3.2213 5.3395 5.3395 5.4329 5.4329 7.1642 7.1642 7.1737 7.1737 7.9446 7.9446 8.0000 8.0000 8.3426 8.3426 8.3436 8.3436 9.0487 9.0487 9.0504 9.0504 14.7638 14.7638 14.7657 14.7657 17.6287 17.6287 17.6377 17.6377 19.8959 19.8959 k = 0.1600-0.0000 0.3385 ( 2696 PWs) bands (ev): -11.2501 -11.2501 -11.1930 -11.1930 -10.9594 -10.9594 -10.8702 -10.8702 -10.1821 -10.1821 -10.1258 -10.1258 -10.0037 -10.0037 -9.8920 -9.8920 -9.7412 -9.7412 -9.7388 -9.7388 -8.2787 -8.2787 -8.2374 -8.2374 -6.0886 -6.0886 -6.0882 -6.0882 3.2082 3.2082 3.2241 3.2241 5.2541 5.2541 5.3498 5.3498 7.1207 7.1207 7.1293 7.1293 7.9792 7.9792 8.0317 8.0317 8.3370 8.3370 8.3387 8.3387 9.0366 9.0366 9.0387 9.0387 14.8234 14.8234 14.8258 14.8258 17.7228 17.7228 17.7302 17.7302 19.8116 19.8116 k = 0.1700-0.0000 0.3385 ( 2700 PWs) bands (ev): -11.2516 -11.2516 -11.1947 -11.1947 -10.9606 -10.9606 -10.8720 -10.8720 -10.1843 -10.1843 -10.1300 -10.1300 -10.0018 -10.0018 -9.8954 -9.8954 -9.7422 -9.7422 -9.7375 -9.7375 -8.2575 -8.2575 -8.2157 -8.2157 -6.0721 -6.0721 -6.0717 -6.0717 3.2100 3.2100 3.2261 3.2261 5.1706 5.1706 5.2686 5.2686 7.0712 7.0712 7.0786 7.0786 8.0119 8.0119 8.0605 8.0605 8.3359 8.3359 8.3390 8.3390 9.0242 9.0242 9.0266 9.0266 14.8845 14.8845 14.8875 14.8875 17.8197 17.8197 17.8250 17.8250 19.7278 19.7278 k = 0.1800-0.0000 0.3385 ( 2700 PWs) bands (ev): -11.2538 -11.2538 -11.1980 -11.1980 -10.9603 -10.9603 -10.8738 -10.8738 -10.1861 -10.1861 -10.1340 -10.1340 -9.9991 -9.9991 -9.8987 -9.8987 -9.7432 -9.7432 -9.7361 -9.7361 -8.2360 -8.2360 -8.1940 -8.1940 -6.0549 -6.0549 -6.0547 -6.0547 3.2111 3.2111 3.2274 3.2274 5.0891 5.0891 5.1896 5.1896 7.0167 7.0167 7.0226 7.0226 8.0414 8.0414 8.0850 8.0850 8.3397 8.3397 8.3450 8.3450 9.0114 9.0114 9.0143 9.0143 14.9468 14.9468 14.9504 14.9504 17.9184 17.9184 17.9212 17.9212 19.6452 19.6452 k = 0.1900-0.0000 0.3385 ( 2692 PWs) bands (ev): -11.2567 -11.2567 -11.2028 -11.2028 -10.9587 -10.9587 -10.8754 -10.8754 -10.1875 -10.1875 -10.1378 -10.1378 -9.9957 -9.9957 -9.9020 -9.9020 -9.7441 -9.7441 -9.7345 -9.7345 -8.2144 -8.2144 -8.1723 -8.1723 -6.0372 -6.0372 -6.0370 -6.0370 3.2114 3.2114 3.2278 3.2278 5.0099 5.0099 5.1130 5.1130 6.9579 6.9579 6.9623 6.9623 8.0666 8.0666 8.1044 8.1044 8.3489 8.3489 8.3571 8.3571 8.9985 8.9985 9.0018 9.0018 15.0100 15.0100 15.0143 15.0143 18.0180 18.0180 18.0184 18.0184 19.5644 19.5644 k = 0.2000-0.0000 0.3385 ( 2700 PWs) bands (ev): -11.2604 -11.2604 -11.2093 -11.2093 -10.9558 -10.9558 -10.8768 -10.8768 -10.1885 -10.1885 -10.1411 -10.1411 -9.9915 -9.9915 -9.9050 -9.9050 -9.7449 -9.7449 -9.7328 -9.7328 -8.1928 -8.1928 -8.1508 -8.1508 -6.0191 -6.0191 -6.0189 -6.0189 3.2107 3.2107 3.2270 3.2270 4.9334 4.9334 5.0392 5.0392 6.8958 6.8958 6.8986 6.8986 8.0869 8.0869 8.1186 8.1186 8.3635 8.3635 8.3747 8.3747 8.9854 8.9854 8.9893 8.9893 15.0739 15.0739 15.0788 15.0788 18.1146 18.1146 18.1185 18.1185 19.4861 19.4861 k = 0.2100-0.0000 0.3385 ( 2704 PWs) bands (ev): -11.2649 -11.2649 -11.2171 -11.2171 -10.9518 -10.9518 -10.8779 -10.8779 -10.1891 -10.1891 -10.1441 -10.1441 -9.9866 -9.9866 -9.9078 -9.9078 -9.7456 -9.7456 -9.7310 -9.7310 -8.1713 -8.1713 -8.1295 -8.1295 -6.0004 -6.0004 -6.0003 -6.0003 3.2089 3.2089 3.2249 3.2249 4.8598 4.8598 4.9683 4.9683 6.8310 6.8310 6.8323 6.8323 8.1023 8.1023 8.1282 8.1282 8.3830 8.3830 8.3970 8.3970 8.9725 8.9725 8.9770 8.9770 15.1382 15.1382 15.1436 15.1436 18.2097 18.2097 18.2175 18.2175 19.4116 19.4116 k = 0.2200-0.0000 0.3385 ( 2700 PWs) bands (ev): -11.2703 -11.2703 -11.2262 -11.2262 -10.9467 -10.9467 -10.8787 -10.8787 -10.1893 -10.1893 -10.1466 -10.1466 -9.9812 -9.9812 -9.9103 -9.9103 -9.7463 -9.7463 -9.7291 -9.7291 -8.1499 -8.1499 -8.1085 -8.1085 -5.9815 -5.9815 -5.9813 -5.9813 3.2058 3.2058 3.2215 3.2215 4.7893 4.7893 4.9007 4.9007 6.7639 6.7639 6.7643 6.7643 8.1134 8.1134 8.1341 8.1341 8.4064 8.4064 8.4224 8.4224 8.9597 8.9597 8.9649 8.9649 15.2025 15.2025 15.2085 15.2085 18.3019 18.3019 18.3134 18.3134 19.3425 19.3425 k = 0.2300-0.0000 0.3385 ( 2698 PWs) bands (ev): -11.2764 -11.2764 -11.2364 -11.2364 -10.9408 -10.9408 -10.8792 -10.8792 -10.1892 -10.1892 -10.1488 -10.1488 -9.9751 -9.9751 -9.9125 -9.9125 -9.7468 -9.7468 -9.7271 -9.7271 -8.1289 -8.1289 -8.0878 -8.0878 -5.9622 -5.9622 -5.9621 -5.9621 3.2013 3.2013 3.2164 3.2164 4.7221 4.7221 4.8365 4.8365 6.6941 6.6941 6.6960 6.6960 8.1209 8.1209 8.1374 8.1374 8.4325 8.4325 8.4497 8.4497 8.9473 8.9473 8.9534 8.9534 15.2667 15.2667 15.2732 15.2732 18.3893 18.3893 18.4035 18.4035 19.2814 19.2814 k = 0.2400-0.0000 0.3385 ( 2702 PWs) bands (ev): -11.2833 -11.2833 -11.2475 -11.2475 -10.9343 -10.9343 -10.8793 -10.8793 -10.1886 -10.1886 -10.1505 -10.1505 -9.9685 -9.9685 -9.9143 -9.9143 -9.7473 -9.7473 -9.7250 -9.7250 -8.1082 -8.1082 -8.0676 -8.0676 -5.9428 -5.9428 -5.9427 -5.9427 3.1952 3.1952 3.2097 3.2097 4.6586 4.6586 4.7760 4.7760 6.6235 6.6235 6.6270 6.6270 8.1257 8.1257 8.1386 8.1386 8.4601 8.4601 8.4777 8.4777 8.9356 8.9356 8.9425 8.9425 15.3304 15.3304 15.3373 15.3373 18.4696 18.4696 18.4832 18.4832 19.2327 19.2327 k = 0.2500-0.0000 0.3385 ( 2702 PWs) bands (ev): -11.2910 -11.2910 -11.2593 -11.2593 -10.9273 -10.9273 -10.8791 -10.8791 -10.1878 -10.1878 -10.1519 -10.1519 -9.9613 -9.9613 -9.9157 -9.9157 -9.7476 -9.7476 -9.7229 -9.7229 -8.0878 -8.0878 -8.0479 -8.0479 -5.9233 -5.9233 -5.9231 -5.9231 3.1874 3.1874 3.2012 3.2012 4.5987 4.5987 4.7192 4.7192 6.5526 6.5526 6.5575 6.5575 8.1284 8.1284 8.1384 8.1384 8.4882 8.4882 8.5055 8.5055 8.9246 8.9246 8.9326 8.9326 15.3935 15.3935 15.4008 15.4008 18.5398 18.5398 18.5459 18.5459 19.2028 19.2028 k = 0.2600-0.0000 0.3385 ( 2690 PWs) bands (ev): -11.2993 -11.2993 -11.2715 -11.2715 -10.9200 -10.9200 -10.8786 -10.8786 -10.1866 -10.1866 -10.1529 -10.1529 -9.9536 -9.9536 -9.9167 -9.9167 -9.7478 -9.7478 -9.7207 -9.7207 -8.0680 -8.0680 -8.0286 -8.0286 -5.9038 -5.9038 -5.9035 -5.9035 3.1780 3.1780 3.1909 3.1909 4.5427 4.5427 4.6665 4.6665 6.4819 6.4819 6.4882 6.4882 8.1295 8.1295 8.1371 8.1371 8.5159 8.5159 8.5324 8.5324 8.9149 8.9149 8.9239 8.9239 15.4557 15.4557 15.4633 15.4633 18.5840 18.5840 18.5964 18.5964 19.1992 19.1992 k = 0.2700-0.0000 0.3385 ( 2686 PWs) bands (ev): -11.3081 -11.3081 -11.2842 -11.2842 -10.9125 -10.9125 -10.8777 -10.8777 -10.1852 -10.1852 -10.1537 -10.1537 -9.9455 -9.9455 -9.9173 -9.9173 -9.7480 -9.7480 -9.7185 -9.7185 -8.0486 -8.0486 -8.0100 -8.0100 -5.8844 -5.8844 -5.8840 -5.8840 3.1667 3.1667 3.1787 3.1787 4.4907 4.4907 4.6176 4.6176 6.4116 6.4116 6.4194 6.4194 8.1293 8.1293 8.1349 8.1349 8.5424 8.5424 8.5578 8.5578 8.9065 8.9065 8.9169 8.9169 15.5168 15.5168 15.5247 15.5247 18.5928 18.5928 18.6364 18.6364 19.2260 19.2260 k = 0.2800-0.0000 0.3385 ( 2688 PWs) bands (ev): -11.3175 -11.3175 -11.2971 -11.2971 -10.9050 -10.9050 -10.8766 -10.8766 -10.1835 -10.1835 -10.1543 -10.1543 -9.9369 -9.9369 -9.9174 -9.9174 -9.7480 -9.7480 -9.7162 -9.7162 -8.0299 -8.0299 -7.9919 -7.9919 -5.8651 -5.8651 -5.8646 -5.8646 3.1537 3.1537 3.1647 3.1647 4.4427 4.4427 4.5728 4.5728 6.3424 6.3424 6.3515 6.3515 8.1280 8.1280 8.1319 8.1319 8.5672 8.5672 8.5811 8.5811 8.9000 8.9000 8.9117 8.9117 15.5766 15.5766 15.5846 15.5846 18.5758 18.5758 18.6578 18.6578 19.2799 19.2799 k = 0.2900-0.0000 0.3385 ( 2696 PWs) bands (ev): -11.3272 -11.3272 -11.3101 -11.3101 -10.8975 -10.8975 -10.8753 -10.8753 -10.1817 -10.1817 -10.1546 -10.1546 -9.9280 -9.9280 -9.9170 -9.9170 -9.7480 -9.7480 -9.7139 -9.7139 -8.0117 -8.0117 -7.9744 -7.9744 -5.8460 -5.8460 -5.8454 -5.8454 3.1390 3.1390 3.1490 3.1490 4.3986 4.3986 4.5318 4.5318 6.2745 6.2745 6.2849 6.2849 8.1258 8.1258 8.1281 8.1281 8.5897 8.5897 8.6019 8.6019 8.8958 8.8958 8.9088 8.9088 15.6350 15.6350 15.6430 15.6430 18.5405 18.5405 18.6613 18.6613 19.3529 19.3529 k = 0.3000-0.0000 0.3385 ( 2692 PWs) bands (ev): -11.3372 -11.3372 -11.3231 -11.3231 -10.8902 -10.8902 -10.8738 -10.8738 -10.1797 -10.1797 -10.1549 -10.1549 -9.9187 -9.9187 -9.9163 -9.9163 -9.7478 -9.7478 -9.7115 -9.7115 -7.9942 -7.9942 -7.9576 -7.9576 -5.8273 -5.8273 -5.8265 -5.8265 3.1227 3.1227 3.1317 3.1317 4.3583 4.3583 4.4947 4.4947 6.2083 6.2083 6.2200 6.2200 8.1227 8.1227 8.1237 8.1237 8.6093 8.6093 8.6199 8.6199 8.8941 8.8941 8.9084 8.9084 15.6918 15.6918 15.6997 15.6997 18.4945 18.4945 18.6493 18.6493 19.4376 19.4376 k = 0.3100-0.0000 0.3385 ( 2690 PWs) bands (ev): -11.3473 -11.3473 -11.3360 -11.3360 -10.8831 -10.8831 -10.8721 -10.8721 -10.1777 -10.1777 -10.1550 -10.1550 -9.9151 -9.9151 -9.9092 -9.9092 -9.7475 -9.7475 -9.7092 -9.7092 -7.9773 -7.9773 -7.9415 -7.9415 -5.8090 -5.8090 -5.8080 -5.8080 3.1050 3.1050 3.1130 3.1130 4.3217 4.3217 4.4611 4.4611 6.1440 6.1440 6.1569 6.1569 8.1187 8.1187 8.1188 8.1188 8.6258 8.6258 8.6348 8.6348 8.8953 8.8953 8.9108 8.9108 15.7469 15.7469 15.7545 15.7545 18.4426 18.4426 18.6255 18.6255 19.5286 19.5286 k = 0.3200-0.0000 0.3385 ( 2690 PWs) bands (ev): -11.3575 -11.3575 -11.3487 -11.3487 -10.8762 -10.8762 -10.8703 -10.8703 -10.1756 -10.1756 -10.1550 -10.1550 -9.9135 -9.9135 -9.8995 -9.8995 -9.7471 -9.7471 -9.7067 -9.7067 -7.9612 -7.9612 -7.9261 -7.9261 -5.7912 -5.7912 -5.7900 -5.7900 3.0861 3.0861 3.0932 3.0932 4.2887 4.2887 4.4309 4.4309 6.0820 6.0820 6.0961 6.0961 8.1131 8.1131 8.1142 8.1142 8.6389 8.6389 8.6465 8.6465 8.8996 8.8996 8.9159 8.9159 15.8001 15.8001 15.8073 15.8073 18.3879 18.3879 18.5934 18.5934 19.6228 19.6228 k = 0.3300-0.0000 0.3385 ( 2686 PWs) bands (ev): -11.3677 -11.3677 -11.3610 -11.3610 -10.8696 -10.8696 -10.8684 -10.8684 -10.1735 -10.1735 -10.1550 -10.1550 -9.9115 -9.9115 -9.8898 -9.8898 -9.7465 -9.7465 -9.7043 -9.7043 -7.9458 -7.9458 -7.9114 -7.9114 -5.7739 -5.7739 -5.7724 -5.7724 3.0663 3.0663 3.0726 3.0726 4.2588 4.2588 4.4038 4.4038 6.0226 6.0226 6.0378 6.0378 8.1069 8.1069 8.1090 8.1090 8.6487 8.6487 8.6553 8.6553 8.9067 8.9067 8.9237 8.9237 15.8512 15.8512 15.8579 15.8579 18.3322 18.3322 18.5558 18.5558 19.7181 19.7181 k = 0.3400-0.0000 0.3385 ( 2690 PWs) bands (ev): -11.3778 -11.3778 -11.3731 -11.3731 -10.8665 -10.8665 -10.8633 -10.8633 -10.1715 -10.1715 -10.1550 -10.1550 -9.9092 -9.9092 -9.8800 -9.8800 -9.7458 -9.7458 -9.7019 -9.7019 -7.9312 -7.9312 -7.8975 -7.8975 -5.7573 -5.7573 -5.7556 -5.7556 3.0459 3.0459 3.0513 3.0513 4.2320 4.2320 4.3796 4.3796 5.9660 5.9660 5.9822 5.9822 8.1003 8.1003 8.1032 8.1032 8.6555 8.6555 8.6614 8.6614 8.9164 8.9164 8.9335 8.9335 15.9003 15.9003 15.9063 15.9063 18.2767 18.2767 18.5151 18.5151 19.8132 19.8132 k = 0.3500-0.0000 0.3385 ( 2688 PWs) bands (ev): -11.3876 -11.3876 -11.3847 -11.3847 -10.8646 -10.8646 -10.8574 -10.8574 -10.1695 -10.1695 -10.1550 -10.1550 -9.9066 -9.9066 -9.8705 -9.8705 -9.7450 -9.7450 -9.6994 -9.6994 -7.9173 -7.9173 -7.8843 -7.8843 -5.7414 -5.7414 -5.7393 -5.7393 3.0251 3.0251 3.0297 3.0297 4.2079 4.2079 4.3579 4.3579 5.9123 5.9123 5.9295 5.9295 8.0932 8.0932 8.0969 8.0969 8.6599 8.6599 8.6655 8.6655 8.9281 8.9281 8.9451 8.9451 15.9472 15.9472 15.9523 15.9523 18.2223 18.2223 18.4727 18.4727 19.9071 19.9071 k = 0.3600-0.0000 0.3385 ( 2682 PWs) bands (ev): -11.3972 -11.3972 -11.3958 -11.3958 -10.8627 -10.8627 -10.8519 -10.8519 -10.1676 -10.1676 -10.1549 -10.1549 -9.9038 -9.9038 -9.8611 -9.8611 -9.7441 -9.7441 -9.6970 -9.6970 -7.9043 -7.9043 -7.8719 -7.8719 -5.7262 -5.7262 -5.7239 -5.7239 3.0043 3.0043 3.0082 3.0082 4.1862 4.1862 4.3384 4.3384 5.8618 5.8618 5.8799 5.8799 8.0859 8.0859 8.0902 8.0902 8.6623 8.6623 8.6679 8.6679 8.9411 8.9411 8.9577 8.9577 15.9917 15.9917 15.9959 15.9959 18.1694 18.1694 18.4300 18.4300 19.9990 19.9990 k = 0.3700-0.0000 0.3385 ( 2686 PWs) bands (ev): -11.4064 -11.4064 -11.4063 -11.4063 -10.8609 -10.8609 -10.8468 -10.8468 -10.1659 -10.1659 -10.1548 -10.1548 -9.9009 -9.9009 -9.8521 -9.8521 -9.7429 -9.7429 -9.6946 -9.6946 -7.8920 -7.8920 -7.8603 -7.8603 -5.7118 -5.7118 -5.7092 -5.7092 2.9837 2.9837 2.9870 2.9870 4.1667 4.1667 4.3210 4.3210 5.8147 5.8147 5.8335 5.8335 8.0783 8.0783 8.0832 8.0832 8.6634 8.6634 8.6690 8.6690 8.9549 8.9549 8.9709 8.9709 16.0340 16.0340 16.0370 16.0370 18.1185 18.1185 18.3878 18.3878 20.0883 20.0883 k = 0.3800-0.0000 0.3385 ( 2690 PWs) bands (ev): -11.4163 -11.4163 -11.4152 -11.4152 -10.8592 -10.8592 -10.8420 -10.8420 -10.1643 -10.1643 -10.1548 -10.1548 -9.8978 -9.8978 -9.8436 -9.8436 -9.7417 -9.7417 -9.6922 -9.6922 -7.8806 -7.8806 -7.8495 -7.8495 -5.6984 -5.6984 -5.6954 -5.6954 2.9636 2.9636 2.9664 2.9664 4.1492 4.1492 4.3053 4.3053 5.7710 5.7710 5.7905 5.7905 8.0706 8.0706 8.0760 8.0760 8.6636 8.6636 8.6694 8.6694 8.9690 8.9690 8.9843 8.9843 16.0737 16.0737 16.0754 16.0754 18.0699 18.0699 18.3468 18.3468 20.1746 20.1746 k = 0.3900-0.0000 0.3385 ( 2694 PWs) bands (ev): -11.4256 -11.4256 -11.4235 -11.4235 -10.8575 -10.8575 -10.8377 -10.8377 -10.1628 -10.1628 -10.1548 -10.1548 -9.8947 -9.8947 -9.8356 -9.8356 -9.7402 -9.7402 -9.6899 -9.6899 -7.8701 -7.8701 -7.8395 -7.8395 -5.6858 -5.6858 -5.6825 -5.6825 2.9444 2.9444 2.9465 2.9465 4.1334 4.1334 4.2912 4.2912 5.7308 5.7308 5.7509 5.7509 8.0629 8.0629 8.0687 8.0687 8.6631 8.6631 8.6693 8.6693 8.9829 8.9829 8.9975 8.9975 16.1109 16.1109 16.1112 16.1112 18.0240 18.0240 18.3074 18.3074 20.2571 20.2571 k = 0.4000-0.0000 0.3385 ( 2694 PWs) bands (ev): -11.4343 -11.4343 -11.4312 -11.4312 -10.8559 -10.8559 -10.8338 -10.8338 -10.1615 -10.1615 -10.1547 -10.1547 -9.8917 -9.8917 -9.8282 -9.8282 -9.7386 -9.7386 -9.6877 -9.6877 -7.8604 -7.8604 -7.8304 -7.8304 -5.6742 -5.6742 -5.6706 -5.6706 2.9262 2.9262 2.9278 2.9278 4.1191 4.1191 4.2785 4.2785 5.6943 5.6943 5.7148 5.7148 8.0553 8.0553 8.0615 8.0615 8.6624 8.6624 8.6688 8.6688 8.9964 8.9964 9.0103 9.0103 16.1442 16.1442 16.1454 16.1454 17.9810 17.9810 18.2703 18.2703 20.3356 20.3356 k = 0.4100-0.0000 0.3385 ( 2690 PWs) bands (ev): -11.4422 -11.4422 -11.4384 -11.4384 -10.8545 -10.8545 -10.8302 -10.8302 -10.1603 -10.1603 -10.1547 -10.1547 -9.8887 -9.8887 -9.8215 -9.8215 -9.7368 -9.7368 -9.6856 -9.6856 -7.8517 -7.8517 -7.8220 -7.8220 -5.6636 -5.6636 -5.6597 -5.6597 2.9092 2.9092 2.9103 2.9103 4.1064 4.1064 4.2671 4.2671 5.6614 5.6614 5.6823 5.6823 8.0480 8.0480 8.0545 8.0545 8.6614 8.6614 8.6682 8.6682 9.0091 9.0091 9.0223 9.0223 16.1744 16.1744 16.1772 16.1772 17.9411 17.9411 18.2356 18.2356 20.4095 20.4095 k = 0.4200-0.0000 0.3385 ( 2694 PWs) bands (ev): -11.4494 -11.4494 -11.4449 -11.4449 -10.8531 -10.8531 -10.8271 -10.8271 -10.1592 -10.1592 -10.1547 -10.1547 -9.8859 -9.8859 -9.8156 -9.8156 -9.7349 -9.7349 -9.6837 -9.6837 -7.8438 -7.8438 -7.8146 -7.8146 -5.6540 -5.6540 -5.6498 -5.6498 2.8935 2.8935 2.8943 2.8943 4.0950 4.0950 4.2569 4.2569 5.6321 5.6321 5.6533 5.6533 8.0411 8.0411 8.0479 8.0479 8.6605 8.6605 8.6675 8.6675 9.0209 9.0209 9.0334 9.0334 16.2017 16.2017 16.2061 16.2061 17.9046 17.9046 18.2038 18.2038 20.4781 20.4781 k = 0.4300-0.0000 0.3385 ( 2696 PWs) bands (ev): -11.4558 -11.4558 -11.4507 -11.4507 -10.8520 -10.8520 -10.8243 -10.8243 -10.1583 -10.1583 -10.1547 -10.1547 -9.8833 -9.8833 -9.8105 -9.8105 -9.7330 -9.7330 -9.6818 -9.6818 -7.8368 -7.8368 -7.8079 -7.8079 -5.6455 -5.6455 -5.6411 -5.6411 2.8795 2.8795 2.8798 2.8798 4.0850 4.0850 4.2478 4.2478 5.6064 5.6064 5.6278 5.6278 8.0346 8.0346 8.0417 8.0417 8.6595 8.6595 8.6668 8.6668 9.0315 9.0315 9.0434 9.0434 16.2261 16.2261 16.2321 16.2321 17.8717 17.8717 18.1750 18.1750 20.5410 20.5410 k = 0.4400-0.0000 0.3385 ( 2694 PWs) bands (ev): -11.4614 -11.4614 -11.4558 -11.4558 -10.8509 -10.8509 -10.8219 -10.8219 -10.1576 -10.1576 -10.1547 -10.1547 -9.8809 -9.8809 -9.8061 -9.8061 -9.7311 -9.7311 -9.6802 -9.6802 -7.8307 -7.8307 -7.8022 -7.8022 -5.6381 -5.6381 -5.6334 -5.6334 2.8670 2.8670 2.8671 2.8671 4.0762 4.0762 4.2399 4.2399 5.5843 5.5843 5.6059 5.6059 8.0288 8.0288 8.0360 8.0360 8.6587 8.6587 8.6662 8.6662 9.0410 9.0410 9.0524 9.0524 16.2473 16.2473 16.2549 16.2549 17.8426 17.8426 18.1496 18.1496 20.5975 20.5975 k = 0.4500-0.0000 0.3385 ( 2698 PWs) bands (ev): -11.4661 -11.4661 -11.4602 -11.4602 -10.8500 -10.8500 -10.8199 -10.8199 -10.1569 -10.1569 -10.1547 -10.1547 -9.8789 -9.8789 -9.8025 -9.8025 -9.7292 -9.7292 -9.6787 -9.6787 -7.8256 -7.8256 -7.7973 -7.7973 -5.6318 -5.6318 -5.6269 -5.6269 2.8561 2.8561 2.8564 2.8564 4.0688 4.0688 4.2331 4.2331 5.5658 5.5658 5.5874 5.5874 8.0237 8.0237 8.0310 8.0310 8.6579 8.6579 8.6656 8.6656 9.0491 9.0491 9.0600 9.0600 16.2655 16.2655 16.2746 16.2746 17.8175 17.8175 18.1277 18.1277 20.6470 20.6470 k = 0.4600-0.0000 0.3385 ( 2706 PWs) bands (ev): -11.4701 -11.4701 -11.4638 -11.4638 -10.8493 -10.8493 -10.8183 -10.8183 -10.1564 -10.1564 -10.1547 -10.1547 -9.8771 -9.8771 -9.7997 -9.7997 -9.7276 -9.7276 -9.6775 -9.6775 -7.8213 -7.8213 -7.7933 -7.7933 -5.6266 -5.6266 -5.6215 -5.6215 2.8470 2.8470 2.8476 2.8476 4.0627 4.0627 4.2275 4.2275 5.5507 5.5507 5.5724 5.5724 8.0194 8.0194 8.0268 8.0268 8.6573 8.6573 8.6652 8.6652 9.0559 9.0559 9.0664 9.0664 16.2804 16.2804 16.2908 16.2908 17.7967 17.7967 18.1095 18.1095 20.6887 20.6887 k = 0.4700-0.0000 0.3385 ( 2706 PWs) bands (ev): -11.4731 -11.4731 -11.4667 -11.4667 -10.8487 -10.8487 -10.8170 -10.8170 -10.1560 -10.1560 -10.1547 -10.1547 -9.8757 -9.8757 -9.7975 -9.7975 -9.7262 -9.7262 -9.6766 -9.6766 -7.8180 -7.8180 -7.7902 -7.7902 -5.6226 -5.6226 -5.6174 -5.6174 2.8399 2.8399 2.8407 2.8407 4.0579 4.0579 4.2232 4.2232 5.5390 5.5390 5.5608 5.5608 8.0159 8.0159 8.0235 8.0235 8.6568 8.6568 8.6648 8.6648 9.0612 9.0612 9.0714 9.0714 16.2922 16.2922 16.3036 16.3036 17.7803 17.7803 18.0952 18.0952 20.7220 20.7220 k = 0.4800-0.0000 0.3385 ( 2698 PWs) bands (ev): -11.4753 -11.4753 -11.4687 -11.4687 -10.8483 -10.8483 -10.8161 -10.8161 -10.1557 -10.1557 -10.1548 -10.1548 -9.8747 -9.8747 -9.7960 -9.7960 -9.7251 -9.7251 -9.6759 -9.6759 -7.8157 -7.8157 -7.7879 -7.7879 -5.6197 -5.6197 -5.6143 -5.6143 2.8348 2.8348 2.8357 2.8357 4.0544 4.0544 4.2200 4.2200 5.5307 5.5307 5.5525 5.5525 8.0135 8.0135 8.0210 8.0210 8.6565 8.6565 8.6646 8.6646 9.0650 9.0650 9.0750 9.0750 16.3006 16.3006 16.3129 16.3129 17.7684 17.7684 18.0849 18.0849 20.7464 20.7464 k = 0.4900-0.0000 0.3385 ( 2700 PWs) bands (ev): -11.4766 -11.4766 -11.4699 -11.4699 -10.8481 -10.8481 -10.8156 -10.8156 -10.1556 -10.1556 -10.1548 -10.1548 -9.8741 -9.8741 -9.7951 -9.7951 -9.7245 -9.7245 -9.6754 -9.6754 -7.8143 -7.8143 -7.7866 -7.7866 -5.6180 -5.6180 -5.6125 -5.6125 2.8317 2.8317 2.8328 2.8328 4.0523 4.0523 4.2181 4.2181 5.5258 5.5258 5.5475 5.5475 8.0119 8.0119 8.0195 8.0195 8.6563 8.6563 8.6644 8.6644 9.0673 9.0673 9.0772 9.0772 16.3056 16.3056 16.3185 16.3185 17.7613 17.7613 18.0787 18.0787 20.7612 20.7612 k = 0.5000-0.0000 0.3385 ( 2704 PWs) bands (ev): -11.4771 -11.4771 -11.4703 -11.4703 -10.8480 -10.8480 -10.8154 -10.8154 -10.1555 -10.1555 -10.1548 -10.1548 -9.8739 -9.8739 -9.7948 -9.7948 -9.7242 -9.7242 -9.6753 -9.6753 -7.8138 -7.8138 -7.7862 -7.7862 -5.6174 -5.6174 -5.6119 -5.6119 2.8307 2.8307 2.8318 2.8318 4.0516 4.0516 4.2174 4.2174 5.5241 5.5241 5.5459 5.5459 8.0114 8.0114 8.0190 8.0190 8.6562 8.6562 8.6644 8.6644 9.0681 9.0681 9.0779 9.0779 16.3073 16.3073 16.3203 16.3203 17.7589 17.7589 18.0766 18.0766 20.7662 20.7662 k = 0.5000-0.0000 0.3385 ( 2704 PWs) bands (ev): -11.4771 -11.4771 -11.4703 -11.4703 -10.8480 -10.8480 -10.8154 -10.8154 -10.1555 -10.1555 -10.1548 -10.1548 -9.8739 -9.8739 -9.7948 -9.7948 -9.7242 -9.7242 -9.6753 -9.6753 -7.8138 -7.8138 -7.7862 -7.7862 -5.6174 -5.6174 -5.6119 -5.6119 2.8307 2.8307 2.8318 2.8318 4.0516 4.0516 4.2174 4.2174 5.5241 5.5241 5.5459 5.5459 8.0114 8.0114 8.0190 8.0190 8.6562 8.6562 8.6644 8.6644 9.0681 9.0681 9.0779 9.0779 16.3073 16.3073 16.3203 16.3203 17.7589 17.7589 18.0766 18.0766 20.7662 20.7662 k = 0.5000 0.0100 0.3385 ( 2704 PWs) bands (ev): -11.4768 -11.4768 -11.4701 -11.4701 -10.8482 -10.8482 -10.8156 -10.8156 -10.1555 -10.1555 -10.1548 -10.1548 -9.8744 -9.8744 -9.7953 -9.7953 -9.7242 -9.7242 -9.6753 -9.6753 -7.8127 -7.8127 -7.7851 -7.7851 -5.6179 -5.6179 -5.6125 -5.6125 2.8257 2.8257 2.8263 2.8263 4.0580 4.0580 4.2232 4.2232 5.5235 5.5235 5.5452 5.5452 8.0131 8.0131 8.0207 8.0207 8.6567 8.6567 8.6649 8.6649 9.0667 9.0667 9.0766 9.0766 16.3014 16.3014 16.3131 16.3131 17.7651 17.7651 18.0811 18.0811 20.7661 20.7661 k = 0.5000 0.0200 0.3385 ( 2700 PWs) bands (ev): -11.4761 -11.4761 -11.4694 -11.4694 -10.8489 -10.8489 -10.8164 -10.8164 -10.1554 -10.1554 -10.1548 -10.1548 -9.8757 -9.8757 -9.7966 -9.7966 -9.7242 -9.7242 -9.6754 -9.6754 -7.8096 -7.8096 -7.7820 -7.7820 -5.6195 -5.6195 -5.6140 -5.6140 2.8103 2.8103 2.8112 2.8112 4.0766 4.0766 4.2402 4.2402 5.5216 5.5216 5.5433 5.5433 8.0182 8.0182 8.0258 8.0258 8.6581 8.6581 8.6663 8.6663 9.0625 9.0625 9.0725 9.0725 16.2839 16.2839 16.2919 16.2919 17.7832 17.7832 18.0943 18.0943 20.7658 20.7658 k = 0.5000 0.0299 0.3385 ( 2704 PWs) bands (ev): -11.4750 -11.4750 -11.4682 -11.4682 -10.8501 -10.8501 -10.8176 -10.8176 -10.1552 -10.1552 -10.1548 -10.1548 -9.8778 -9.8778 -9.7989 -9.7989 -9.7242 -9.7242 -9.6756 -9.6756 -7.8044 -7.8044 -7.7768 -7.7768 -5.6221 -5.6221 -5.6166 -5.6166 2.7848 2.7848 2.7878 2.7878 4.1064 4.1064 4.2676 4.2676 5.5186 5.5186 5.5404 5.5404 8.0266 8.0266 8.0341 8.0341 8.6605 8.6605 8.6686 8.6686 9.0554 9.0554 9.0658 9.0658 16.2555 16.2555 16.2579 16.2579 17.8121 17.8121 18.1155 18.1155 20.7652 20.7652 k = 0.5000 0.0399 0.3385 ( 2708 PWs) bands (ev): -11.4734 -11.4734 -11.4665 -11.4665 -10.8518 -10.8518 -10.8193 -10.8193 -10.1549 -10.1549 -10.1548 -10.1548 -9.8808 -9.8808 -9.8020 -9.8020 -9.7242 -9.7242 -9.6758 -9.6758 -7.7971 -7.7971 -7.7696 -7.7696 -5.6258 -5.6258 -5.6201 -5.6201 2.7513 2.7513 2.7567 2.7567 4.1456 4.1456 4.3039 4.3039 5.5148 5.5148 5.5367 5.5367 8.0380 8.0380 8.0454 8.0454 8.6638 8.6638 8.6719 8.6719 9.0457 9.0457 9.0563 9.0563 16.2129 16.2129 16.2172 16.2172 17.8499 17.8499 18.1436 18.1436 20.7645 20.7645 k = 0.5000 0.0499 0.3385 ( 2704 PWs) bands (ev): -11.4713 -11.4713 -11.4643 -11.4643 -10.8539 -10.8539 -10.8215 -10.8215 -10.1548 -10.1548 -10.1545 -10.1545 -9.8846 -9.8846 -9.8059 -9.8059 -9.7242 -9.7242 -9.6760 -9.6760 -7.7879 -7.7879 -7.7605 -7.7605 -5.6304 -5.6304 -5.6247 -5.6247 2.7113 2.7113 2.7193 2.7193 4.1926 4.1926 4.3476 4.3476 5.5108 5.5108 5.5326 5.5326 8.0524 8.0524 8.0597 8.0597 8.6680 8.6680 8.6761 8.6761 9.0332 9.0332 9.0443 9.0443 16.1589 16.1589 16.1704 16.1704 17.8947 17.8947 18.1774 18.1774 20.7636 20.7636 k = 0.5000 0.0599 0.3385 ( 2700 PWs) bands (ev): -11.4687 -11.4687 -11.4617 -11.4617 -10.8565 -10.8565 -10.8242 -10.8242 -10.1548 -10.1548 -10.1541 -10.1541 -9.8891 -9.8891 -9.8106 -9.8106 -9.7241 -9.7241 -9.6764 -9.6764 -7.7768 -7.7768 -7.7494 -7.7494 -5.6361 -5.6361 -5.6302 -5.6302 2.6663 2.6663 2.6768 2.6768 4.2454 4.2454 4.3969 4.3969 5.5070 5.5070 5.5286 5.5286 8.0693 8.0693 8.0764 8.0764 8.6732 8.6732 8.6812 8.6812 9.0181 9.0181 9.0297 9.0297 16.0976 16.0976 16.1165 16.1165 17.9447 17.9447 18.2155 18.2155 20.7624 20.7624 k = 0.5000 0.0699 0.3385 ( 2704 PWs) bands (ev): -11.4658 -11.4658 -11.4586 -11.4586 -10.8596 -10.8596 -10.8273 -10.8273 -10.1548 -10.1548 -10.1536 -10.1536 -9.8943 -9.8943 -9.8161 -9.8161 -9.7240 -9.7240 -9.6767 -9.6767 -7.7638 -7.7638 -7.7366 -7.7366 -5.6428 -5.6428 -5.6368 -5.6368 2.6178 2.6178 2.6305 2.6305 4.3022 4.3022 4.4500 4.4500 5.5044 5.5044 5.5255 5.5255 8.0885 8.0885 8.0954 8.0954 8.6792 8.6792 8.6871 8.6871 9.0004 9.0004 9.0126 9.0126 16.0309 16.0309 16.0566 16.0566 17.9980 17.9980 18.2567 18.2567 20.7611 20.7611 k = 0.5000 0.0798 0.3385 ( 2704 PWs) bands (ev): -11.4623 -11.4623 -11.4551 -11.4551 -10.8631 -10.8631 -10.8309 -10.8309 -10.1548 -10.1548 -10.1531 -10.1531 -9.9001 -9.9001 -9.8223 -9.8223 -9.7238 -9.7238 -9.6772 -9.6772 -7.7492 -7.7492 -7.7221 -7.7221 -5.6504 -5.6504 -5.6442 -5.6442 2.5668 2.5668 2.5814 2.5814 4.3613 4.3613 4.5050 4.5050 5.5038 5.5038 5.5240 5.5240 8.1096 8.1096 8.1162 8.1162 8.6860 8.6860 8.6939 8.6939 8.9803 8.9803 8.9932 8.9932 15.9602 15.9602 15.9921 15.9921 18.0533 18.0533 18.2998 18.2998 20.7595 20.7595 k = 0.5000 0.0898 0.3385 ( 2708 PWs) bands (ev): -11.4585 -11.4585 -11.4511 -11.4511 -10.8670 -10.8670 -10.8350 -10.8350 -10.1548 -10.1548 -10.1524 -10.1524 -9.9064 -9.9064 -9.8291 -9.8291 -9.7235 -9.7235 -9.6777 -9.6777 -7.7329 -7.7329 -7.7061 -7.7061 -5.6590 -5.6590 -5.6526 -5.6526 2.5143 2.5143 2.5305 2.5305 4.4209 4.4209 4.5602 4.5602 5.5065 5.5065 5.5251 5.5251 8.1321 8.1321 8.1383 8.1383 8.6937 8.6937 8.7015 8.7015 8.9579 8.9579 8.9715 8.9715 15.8867 15.8867 15.9241 15.9241 18.1092 18.1092 18.3437 18.3437 20.7579 20.7579 k = 0.5000 0.0998 0.3385 ( 2704 PWs) bands (ev): -11.4543 -11.4543 -11.4468 -11.4468 -10.8714 -10.8714 -10.8396 -10.8396 -10.1548 -10.1548 -10.1517 -10.1517 -9.9131 -9.9131 -9.8365 -9.8365 -9.7232 -9.7232 -9.6782 -9.6782 -7.7152 -7.7152 -7.6885 -7.6885 -5.6684 -5.6684 -5.6618 -5.6618 2.4611 2.4611 2.4786 2.4786 4.4793 4.4793 4.6136 4.6136 5.5138 5.5138 5.5299 5.5299 8.1556 8.1556 8.1612 8.1612 8.7021 8.7021 8.7098 8.7098 8.9334 8.9334 8.9477 8.9477 15.8116 15.8116 15.8536 15.8536 18.1649 18.1649 18.3875 18.3875 20.7561 20.7561 k = 0.5000 0.1098 0.3385 ( 2704 PWs) bands (ev): -11.4496 -11.4496 -11.4420 -11.4420 -10.8762 -10.8762 -10.8446 -10.8446 -10.1548 -10.1548 -10.1509 -10.1509 -9.9203 -9.9203 -9.8444 -9.8444 -9.7228 -9.7228 -9.6788 -9.6788 -7.6961 -7.6961 -7.6697 -7.6697 -5.6786 -5.6786 -5.6719 -5.6719 2.4077 2.4077 2.4262 2.4262 4.5350 4.5350 4.6632 4.6632 5.5273 5.5273 5.5398 5.5398 8.1794 8.1794 8.1843 8.1843 8.7112 8.7112 8.7188 8.7188 8.9072 8.9072 8.9221 8.9221 15.7357 15.7357 15.7815 15.7815 18.2194 18.2194 18.4303 18.4303 20.7543 20.7543 k = 0.5000 0.1198 0.3385 ( 2704 PWs) bands (ev): -11.4446 -11.4446 -11.4368 -11.4368 -10.8814 -10.8814 -10.8501 -10.8501 -10.1547 -10.1547 -10.1501 -10.1501 -9.9277 -9.9277 -9.8527 -9.8527 -9.7223 -9.7223 -9.6794 -9.6794 -7.6757 -7.6757 -7.6496 -7.6496 -5.6897 -5.6897 -5.6827 -5.6827 2.3548 2.3548 2.3739 2.3739 4.5864 4.5864 4.7072 4.7072 5.5485 5.5485 5.5560 5.5560 8.2029 8.2029 8.2068 8.2068 8.7210 8.7210 8.7285 8.7285 8.8796 8.8796 8.8951 8.8951 15.6597 15.6597 15.7085 15.7085 18.2721 18.2721 18.4716 18.4716 20.7526 20.7526 k = 0.5000 0.1297 0.3385 ( 2704 PWs) bands (ev): -11.4392 -11.4392 -11.4313 -11.4313 -10.8869 -10.8869 -10.8560 -10.8560 -10.1547 -10.1547 -10.1492 -10.1492 -9.9353 -9.9353 -9.8613 -9.8613 -9.7218 -9.7218 -9.6800 -9.6800 -7.6543 -7.6543 -7.6285 -7.6285 -5.7015 -5.7015 -5.6943 -5.6943 2.3027 2.3027 2.3222 2.3222 4.6319 4.6319 4.7442 4.7442 5.5786 5.5786 5.5798 5.5798 8.2253 8.2253 8.2280 8.2280 8.7314 8.7314 8.7387 8.7387 8.8512 8.8512 8.8671 8.8671 15.5843 15.5843 15.6353 15.6353 18.3224 18.3224 18.5109 18.5109 20.7365 20.7365 k = 0.5000 0.1397 0.3385 ( 2700 PWs) bands (ev): -11.4335 -11.4335 -11.4254 -11.4254 -10.8928 -10.8928 -10.8623 -10.8623 -10.1546 -10.1546 -10.1483 -10.1483 -9.9430 -9.9430 -9.8702 -9.8702 -9.7212 -9.7212 -9.6807 -9.6807 -7.6320 -7.6320 -7.6066 -7.6066 -5.7139 -5.7139 -5.7066 -5.7066 2.2517 2.2517 2.2713 2.2713 4.6705 4.6705 4.7731 4.7731 5.6121 5.6121 5.6184 5.6184 8.2457 8.2457 8.2468 8.2468 8.7421 8.7421 8.7493 8.7493 8.8229 8.8229 8.8388 8.8388 15.5100 15.5100 15.5626 15.5626 18.3701 18.3701 18.5477 18.5477 20.7222 20.7222 k = 0.5000 0.1497 0.3385 ( 2696 PWs) bands (ev): -11.4275 -11.4275 -11.4192 -11.4192 -10.8990 -10.8990 -10.8689 -10.8689 -10.1544 -10.1544 -10.1473 -10.1473 -9.9508 -9.9508 -9.8793 -9.8793 -9.7206 -9.7206 -9.6815 -9.6815 -7.6088 -7.6088 -7.5839 -7.5839 -5.7270 -5.7270 -5.7195 -5.7195 2.2021 2.2021 2.2217 2.2217 4.7015 4.7015 4.7940 4.7940 5.6535 5.6535 5.6680 5.6680 8.2619 8.2619 8.2630 8.2630 8.7527 8.7527 8.7599 8.7599 8.7961 8.7961 8.8115 8.8115 15.4374 15.4374 15.4908 15.4908 18.4147 18.4147 18.5817 18.5817 20.7091 20.7091 k = 0.5000 0.1597 0.3385 ( 2692 PWs) bands (ev): -11.4212 -11.4212 -11.4128 -11.4128 -10.9056 -10.9056 -10.8760 -10.8760 -10.1542 -10.1542 -10.1463 -10.1463 -9.9585 -9.9585 -9.8885 -9.8885 -9.7199 -9.7199 -9.6823 -9.6823 -7.5851 -7.5851 -7.5607 -7.5607 -5.7406 -5.7406 -5.7329 -5.7329 2.1542 2.1542 2.1736 2.1736 4.7249 4.7249 4.8072 4.8072 5.7039 5.7039 5.7267 5.7267 8.2718 8.2718 8.2758 8.2758 8.7583 8.7583 8.7675 8.7675 8.7768 8.7768 8.7891 8.7891 15.3667 15.3667 15.4205 15.4205 18.4561 18.4561 18.6127 18.6127 20.6973 20.6973 k = 0.5000 0.1697 0.3385 ( 2688 PWs) bands (ev): -11.4146 -11.4146 -11.4061 -11.4061 -10.9123 -10.9123 -10.8833 -10.8833 -10.1540 -10.1540 -10.1452 -10.1452 -9.9661 -9.9661 -9.8977 -9.8977 -9.7191 -9.7191 -9.6831 -9.6831 -7.5609 -7.5609 -7.5371 -7.5371 -5.7546 -5.7546 -5.7468 -5.7468 2.1082 2.1082 2.1271 2.1271 4.7413 4.7413 4.8137 4.8137 5.7628 5.7628 5.7934 5.7934 8.2747 8.2747 8.2824 8.2824 8.7438 8.7438 8.7561 8.7561 8.7816 8.7816 8.7888 8.7888 15.2985 15.2985 15.3519 15.3519 18.4941 18.4941 18.6406 18.6406 20.6870 20.6870 k = 0.5000 0.1796 0.3385 ( 2684 PWs) bands (ev): -11.4078 -11.4078 -11.3992 -11.3992 -10.9193 -10.9193 -10.8910 -10.8910 -10.1538 -10.1538 -10.1442 -10.1442 -9.9734 -9.9734 -9.9069 -9.9069 -9.7183 -9.7183 -9.6839 -9.6839 -7.5365 -7.5365 -7.5133 -7.5133 -5.7689 -5.7689 -5.7610 -5.7610 2.0641 2.0641 2.0825 2.0825 4.7513 4.7513 4.8147 4.8147 5.8293 5.8293 5.8670 5.8670 8.2691 8.2691 8.2812 8.2812 8.7278 8.7278 8.7384 8.7384 8.7931 8.7931 8.7996 8.7996 15.2329 15.2329 15.2856 15.2856 18.5287 18.5287 18.6653 18.6653 20.6784 20.6784 k = 0.5000 0.1896 0.3385 ( 2684 PWs) bands (ev): -11.4008 -11.4008 -11.3921 -11.3921 -10.9264 -10.9264 -10.8989 -10.8989 -10.1534 -10.1534 -10.1431 -10.1431 -9.9805 -9.9805 -9.9161 -9.9161 -9.7174 -9.7174 -9.6848 -9.6848 -7.5120 -7.5120 -7.4896 -7.4896 -5.7834 -5.7834 -5.7755 -5.7755 2.0223 2.0223 2.0400 2.0400 4.7562 4.7562 4.8116 4.8116 5.9023 5.9023 5.9461 5.9461 8.2538 8.2538 8.2707 8.2707 8.7170 8.7170 8.7252 8.7252 8.8056 8.8056 8.8115 8.8115 15.1704 15.1704 15.2218 15.2218 18.5600 18.5600 18.6868 18.6868 20.6717 20.6717 k = 0.5000 0.1996 0.3385 ( 2676 PWs) bands (ev): -11.3936 -11.3936 -11.3849 -11.3849 -10.9337 -10.9337 -10.9070 -10.9070 -10.1531 -10.1531 -10.1421 -10.1421 -9.9873 -9.9873 -9.9251 -9.9251 -9.7165 -9.7165 -9.6858 -9.6858 -7.4876 -7.4876 -7.4660 -7.4660 -5.7981 -5.7981 -5.7902 -5.7902 1.9827 1.9827 1.9997 1.9997 4.7570 4.7570 4.8052 4.8052 5.9808 5.9808 6.0296 6.0296 8.2283 8.2283 8.2503 8.2503 8.7123 8.7123 8.7178 8.7178 8.8182 8.8182 8.8238 8.8238 15.1110 15.1110 15.1608 15.1608 18.5880 18.5880 18.7052 18.7052 20.6670 20.6670 k = 0.5000 0.2096 0.3385 ( 2680 PWs) bands (ev): -11.3864 -11.3864 -11.3777 -11.3777 -10.9409 -10.9409 -10.9153 -10.9153 -10.1526 -10.1526 -10.1411 -10.1411 -9.9936 -9.9936 -9.9339 -9.9339 -9.7156 -9.7156 -9.6867 -9.6867 -7.4635 -7.4635 -7.4428 -7.4428 -5.8127 -5.8127 -5.8049 -5.8049 1.9456 1.9456 1.9616 1.9616 4.7547 4.7547 4.7967 4.7967 6.0635 6.0635 6.1165 6.1165 8.1933 8.1933 8.2201 8.2201 8.7130 8.7130 8.7162 8.7162 8.8309 8.8309 8.8360 8.8360 15.0552 15.0552 15.1028 15.1028 18.6128 18.6128 18.7206 18.7206 20.6643 20.6643 k = 0.5000 0.2196 0.3385 ( 2680 PWs) bands (ev): -11.3791 -11.3791 -11.3705 -11.3705 -10.9482 -10.9482 -10.9236 -10.9236 -10.1521 -10.1521 -10.1402 -10.1402 -9.9994 -9.9994 -9.9425 -9.9425 -9.7146 -9.7146 -9.6877 -9.6877 -7.4398 -7.4398 -7.4201 -7.4201 -5.8272 -5.8272 -5.8194 -5.8194 1.9109 1.9109 1.9260 1.9260 4.7501 4.7501 4.7867 4.7867 6.1496 6.1496 6.2059 6.2059 8.1499 8.1499 8.1810 8.1810 8.7179 8.7179 8.7194 8.7194 8.8433 8.8433 8.8481 8.8481 15.0030 15.0030 15.0482 15.0482 18.6346 18.6346 18.7332 18.7332 20.6637 20.6637 k = 0.5000 0.2295 0.3385 ( 2676 PWs) bands (ev): -11.3719 -11.3719 -11.3633 -11.3633 -10.9553 -10.9553 -10.9319 -10.9319 -10.1515 -10.1515 -10.1394 -10.1394 -10.0047 -10.0047 -9.9509 -9.9509 -9.7136 -9.7136 -9.6887 -9.6887 -7.4169 -7.4169 -7.3983 -7.3983 -5.8413 -5.8413 -5.8338 -5.8338 1.8788 1.8788 1.8929 1.8929 4.7440 4.7440 4.7758 4.7758 6.2384 6.2384 6.2973 6.2973 8.0993 8.0993 8.1342 8.1342 8.7259 8.7259 8.7260 8.7260 8.8555 8.8555 8.8598 8.8598 14.9546 14.9546 14.9971 14.9971 18.6537 18.6537 18.7432 18.7432 20.6652 20.6652 k = 0.5000 0.2395 0.3385 ( 2676 PWs) bands (ev): -11.3647 -11.3647 -11.3564 -11.3564 -10.9622 -10.9622 -10.9402 -10.9402 -10.1509 -10.1509 -10.1387 -10.1387 -10.0094 -10.0094 -9.9590 -9.9590 -9.7126 -9.7126 -9.6897 -9.6897 -7.3949 -7.3949 -7.3775 -7.3775 -5.8550 -5.8550 -5.8477 -5.8477 1.8494 1.8494 1.8624 1.8624 4.7370 4.7370 4.7646 4.7646 6.3291 6.3291 6.3899 6.3899 8.0426 8.0426 8.0809 8.0809 8.7350 8.7350 8.7357 8.7357 8.8672 8.8672 8.8710 8.8710 14.9102 14.9102 14.9497 14.9497 18.6702 18.6702 18.7508 18.7508 20.6687 20.6687 k = 0.5000 0.2495 0.3385 ( 2676 PWs) bands (ev): -11.3577 -11.3577 -11.3497 -11.3497 -10.9688 -10.9688 -10.9483 -10.9483 -10.1502 -10.1502 -10.1381 -10.1381 -10.0134 -10.0134 -9.9667 -9.9667 -9.7115 -9.7115 -9.6908 -9.6908 -7.3740 -7.3740 -7.3579 -7.3579 -5.8680 -5.8680 -5.8611 -5.8611 1.8226 1.8226 1.8345 1.8345 4.7296 4.7296 4.7534 4.7534 6.4211 6.4211 6.4833 6.4833 7.9810 7.9810 8.0222 8.0222 8.7451 8.7451 8.7463 8.7463 8.8783 8.8783 8.8817 8.8817 14.8700 14.8700 14.9062 14.9062 18.6845 18.6845 18.7564 18.7564 20.6741 20.6741 k = 0.5000 0.2595 0.3385 ( 2672 PWs) bands (ev): -11.3510 -11.3510 -11.3433 -11.3433 -10.9750 -10.9750 -10.9562 -10.9562 -10.1494 -10.1494 -10.1377 -10.1377 -10.0168 -10.0168 -9.9740 -9.9740 -9.7104 -9.7104 -9.6919 -9.6919 -7.3544 -7.3544 -7.3397 -7.3397 -5.8803 -5.8803 -5.8738 -5.8738 1.7987 1.7987 1.8093 1.8093 4.7223 4.7223 4.7427 4.7427 6.5140 6.5140 6.5770 6.5770 7.9151 7.9151 7.9590 7.9590 8.7556 8.7556 8.7570 8.7570 8.8886 8.8886 8.8915 8.8915 14.8339 14.8339 14.8667 14.8667 18.6967 18.6967 18.7601 18.7601 20.6814 20.6814 k = 0.5000 0.2695 0.3385 ( 2668 PWs) bands (ev): -11.3446 -11.3446 -11.3375 -11.3375 -10.9807 -10.9807 -10.9637 -10.9637 -10.1485 -10.1485 -10.1375 -10.1375 -10.0194 -10.0194 -9.9810 -9.9810 -9.7093 -9.7093 -9.6930 -9.6930 -7.3364 -7.3364 -7.3232 -7.3232 -5.8915 -5.8915 -5.8856 -5.8856 1.7775 1.7775 1.7869 1.7869 4.7152 4.7152 4.7325 4.7325 6.6072 6.6072 6.6706 6.6706 7.8456 7.8456 7.8918 7.8918 8.7659 8.7659 8.7674 8.7674 8.8980 8.8980 8.9005 8.9005 14.8022 14.8022 14.8313 14.8313 18.7072 18.7072 18.7622 18.7622 20.6904 20.6904 k = 0.5000 0.2794 0.3385 ( 2668 PWs) bands (ev): -11.3386 -11.3386 -11.3322 -11.3322 -10.9858 -10.9858 -10.9708 -10.9708 -10.1475 -10.1475 -10.1375 -10.1375 -10.0212 -10.0212 -9.9875 -9.9875 -9.7081 -9.7081 -9.6941 -9.6941 -7.3201 -7.3201 -7.3086 -7.3086 -5.9016 -5.9016 -5.8963 -5.8963 1.7592 1.7592 1.7673 1.7673 4.7088 4.7088 4.7233 4.7233 6.7004 6.7004 6.7637 6.7637 7.7731 7.7731 7.8214 7.8214 8.7755 8.7755 8.7769 8.7769 8.9064 8.9064 8.9086 8.9086 14.7749 14.7749 14.8001 14.8001 18.7161 18.7161 18.7629 18.7629 20.7008 20.7008 k = 0.5000 0.2894 0.3385 ( 2668 PWs) bands (ev): -11.3332 -11.3332 -11.3275 -11.3275 -10.9901 -10.9901 -10.9772 -10.9772 -10.1465 -10.1465 -10.1377 -10.1377 -10.0222 -10.0222 -9.9936 -9.9936 -9.7070 -9.7070 -9.6953 -9.6953 -7.3058 -7.3058 -7.2960 -7.2960 -5.9104 -5.9104 -5.9058 -5.9058 1.7437 1.7437 1.7505 1.7505 4.7032 4.7032 4.7150 4.7150 6.7929 6.7929 6.8557 6.8557 7.6982 7.6982 7.7482 7.7482 8.7841 8.7841 8.7854 8.7854 8.9138 8.9138 8.9155 8.9155 14.7520 14.7520 14.7733 14.7733 18.7238 18.7238 18.7626 18.7626 20.7125 20.7125 k = 0.5000 0.2994 0.3385 ( 2656 PWs) bands (ev): -11.3285 -11.3285 -11.3237 -11.3237 -10.9935 -10.9935 -10.9830 -10.9830 -10.1455 -10.1455 -10.1381 -10.1381 -10.0225 -10.0225 -9.9992 -9.9992 -9.7058 -9.7058 -9.6964 -9.6964 -7.2935 -7.2935 -7.2856 -7.2856 -5.9177 -5.9177 -5.9139 -5.9139 1.7312 1.7312 1.7366 1.7366 4.6986 4.6986 4.7079 4.7079 6.8843 6.8843 6.9459 6.9459 7.6217 7.6217 7.6729 7.6729 8.7915 8.7915 8.7925 8.7925 8.9199 8.9199 8.9212 8.9212 14.7337 14.7337 14.7508 14.7508 18.7305 18.7305 18.7613 18.7613 20.7252 20.7252 k = 0.5000 0.3094 0.3385 ( 2660 PWs) bands (ev): -11.3245 -11.3245 -11.3208 -11.3208 -10.9960 -10.9960 -10.9879 -10.9879 -10.1444 -10.1444 -10.1387 -10.1387 -10.0220 -10.0220 -10.0043 -10.0043 -9.7047 -9.7047 -9.6976 -9.6976 -7.2836 -7.2836 -7.2776 -7.2776 -5.9234 -5.9234 -5.9205 -5.9205 1.7216 1.7216 1.7257 1.7257 4.6952 4.6952 4.7020 4.7020 6.9737 6.9737 7.0329 7.0329 7.5450 7.5450 7.5964 7.5964 8.7974 8.7974 8.7982 8.7982 8.9248 8.9248 8.9258 8.9258 14.7198 14.7198 14.7328 14.7328 18.7363 18.7363 18.7593 18.7593 20.7386 20.7386 k = 0.5000 0.3194 0.3385 ( 2656 PWs) bands (ev): -11.3213 -11.3213 -11.3188 -11.3188 -10.9974 -10.9974 -10.9920 -10.9920 -10.1433 -10.1433 -10.1394 -10.1394 -10.0207 -10.0207 -10.0088 -10.0088 -9.7035 -9.7035 -9.6987 -9.6987 -7.2761 -7.2761 -7.2721 -7.2721 -5.9274 -5.9274 -5.9254 -5.9254 1.7149 1.7149 1.7176 1.7176 4.6929 4.6929 4.6975 4.6975 7.0593 7.0593 7.1135 7.1135 7.4715 7.4715 7.5204 7.5204 8.8018 8.8018 8.8023 8.8023 8.9283 8.9283 8.9290 8.9290 14.7106 14.7106 14.7193 14.7193 18.7414 18.7414 18.7567 18.7567 20.7521 20.7521 k = 0.5000 0.3293 0.3385 ( 2656 PWs) bands (ev): -11.3192 -11.3192 -11.3179 -11.3179 -10.9977 -10.9977 -10.9950 -10.9950 -10.1423 -10.1423 -10.1403 -10.1403 -10.0187 -10.0187 -10.0127 -10.0127 -9.7023 -9.7023 -9.6999 -9.6999 -7.2712 -7.2712 -7.2692 -7.2692 -5.9296 -5.9296 -5.9287 -5.9287 1.7111 1.7111 1.7125 1.7125 4.6920 4.6920 4.6943 4.6943 7.1362 7.1362 7.1762 7.1762 7.4124 7.4124 7.4498 7.4498 8.8045 8.8045 8.8047 8.8047 8.9305 8.9305 8.9309 8.9309 14.7059 14.7059 14.7102 14.7102 18.7459 18.7459 18.7535 18.7535 20.7653 20.7653 k = 0.5000 0.3393 0.3385 ( 2664 PWs) bands (ev): -11.3180 -11.3180 -11.3180 -11.3180 -10.9969 -10.9969 -10.9969 -10.9969 -10.1412 -10.1412 -10.1412 -10.1412 -10.0161 -10.0161 -10.0161 -10.0161 -9.7011 -9.7011 -9.7011 -9.7011 -7.2689 -7.2689 -7.2689 -7.2689 -5.9301 -5.9301 -5.9301 -5.9301 1.7103 1.7103 1.7103 1.7103 4.6925 4.6925 4.6925 4.6925 7.1874 7.1874 7.1874 7.1874 7.4015 7.4015 7.4015 7.4015 8.8055 8.8055 8.8055 8.8055 8.9314 8.9314 8.9314 8.9314 14.7058 14.7058 14.7058 14.7058 18.7499 18.7499 18.7499 18.7499 20.7775 20.7775 k = 0.5000 0.3393 0.3385 ( 2664 PWs) bands (ev): -11.3180 -11.3180 -11.3180 -11.3180 -10.9969 -10.9969 -10.9969 -10.9969 -10.1412 -10.1412 -10.1412 -10.1412 -10.0161 -10.0161 -10.0161 -10.0161 -9.7011 -9.7011 -9.7011 -9.7011 -7.2689 -7.2689 -7.2689 -7.2689 -5.9301 -5.9301 -5.9301 -5.9301 1.7103 1.7103 1.7103 1.7103 4.6925 4.6925 4.6925 4.6925 7.1874 7.1874 7.1874 7.1874 7.4015 7.4015 7.4015 7.4015 8.8055 8.8055 8.8055 8.8055 8.9314 8.9314 8.9314 8.9314 14.7058 14.7058 14.7058 14.7058 18.7499 18.7499 18.7499 18.7499 20.7775 20.7775 k = 0.4900 0.3393 0.3385 ( 2652 PWs) bands (ev): -11.3175 -11.3175 -11.3175 -11.3175 -10.9972 -10.9972 -10.9972 -10.9972 -10.1412 -10.1412 -10.1412 -10.1412 -10.0163 -10.0163 -10.0163 -10.0163 -9.7012 -9.7012 -9.7012 -9.7012 -7.2689 -7.2689 -7.2689 -7.2689 -5.9315 -5.9315 -5.9315 -5.9315 1.7125 1.7125 1.7125 1.7125 4.6947 4.6947 4.6947 4.6947 7.1856 7.1856 7.1856 7.1856 7.4011 7.4011 7.4011 7.4011 8.8061 8.8061 8.8061 8.8061 8.9313 8.9313 8.9313 8.9313 14.7067 14.7067 14.7067 14.7067 18.7509 18.7509 18.7509 18.7509 20.7756 20.7756 k = 0.4800 0.3393 0.3385 ( 2652 PWs) bands (ev): -11.3161 -11.3161 -11.3161 -11.3161 -10.9978 -10.9978 -10.9978 -10.9978 -10.1411 -10.1411 -10.1411 -10.1411 -10.0170 -10.0170 -10.0170 -10.0170 -9.7016 -9.7016 -9.7016 -9.7016 -7.2692 -7.2692 -7.2692 -7.2692 -5.9358 -5.9358 -5.9358 -5.9358 1.7188 1.7188 1.7188 1.7188 4.7016 4.7016 4.7016 4.7016 7.1805 7.1805 7.1805 7.1805 7.3997 7.3997 7.3997 7.3997 8.8079 8.8079 8.8079 8.8079 8.9311 8.9311 8.9311 8.9311 14.7093 14.7093 14.7093 14.7093 18.7537 18.7537 18.7537 18.7537 20.7697 20.7697 k = 0.4700 0.3393 0.3385 ( 2652 PWs) bands (ev): -11.3138 -11.3138 -11.3138 -11.3138 -10.9990 -10.9990 -10.9990 -10.9990 -10.1410 -10.1410 -10.1410 -10.1410 -10.0181 -10.0181 -10.0181 -10.0181 -9.7022 -9.7022 -9.7022 -9.7022 -7.2696 -7.2696 -7.2696 -7.2696 -5.9430 -5.9430 -5.9430 -5.9430 1.7294 1.7294 1.7294 1.7294 4.7129 4.7129 4.7129 4.7129 7.1719 7.1719 7.1719 7.1719 7.3974 7.3974 7.3974 7.3974 8.8109 8.8109 8.8109 8.8109 8.9307 8.9307 8.9307 8.9307 14.7137 14.7137 14.7137 14.7137 18.7583 18.7583 18.7583 18.7583 20.7600 20.7600 k = 0.4600 0.3393 0.3385 ( 2652 PWs) bands (ev): -11.3105 -11.3105 -11.3105 -11.3105 -11.0005 -11.0005 -11.0005 -11.0005 -10.1408 -10.1408 -10.1408 -10.1408 -10.0196 -10.0196 -10.0196 -10.0196 -9.7029 -9.7029 -9.7029 -9.7029 -7.2702 -7.2702 -7.2702 -7.2702 -5.9531 -5.9531 -5.9531 -5.9531 1.7441 1.7441 1.7441 1.7441 4.7288 4.7288 4.7288 4.7288 7.1601 7.1601 7.1601 7.1601 7.3942 7.3942 7.3942 7.3942 8.8149 8.8149 8.8149 8.8149 8.9302 8.9302 8.9302 8.9302 14.7197 14.7197 14.7197 14.7197 18.7646 18.7646 18.7646 18.7646 20.7466 20.7466 k = 0.4500 0.3393 0.3385 ( 2652 PWs) bands (ev): -11.3063 -11.3063 -11.3063 -11.3063 -11.0026 -11.0026 -11.0026 -11.0026 -10.1405 -10.1405 -10.1405 -10.1405 -10.0215 -10.0215 -10.0215 -10.0215 -9.7039 -9.7039 -9.7039 -9.7039 -7.2709 -7.2709 -7.2709 -7.2709 -5.9659 -5.9659 -5.9659 -5.9659 1.7630 1.7630 1.7630 1.7630 4.7491 4.7491 4.7491 4.7491 7.1450 7.1450 7.1450 7.1450 7.3902 7.3902 7.3902 7.3902 8.8199 8.8199 8.8199 8.8199 8.9296 8.9296 8.9296 8.9296 14.7274 14.7274 14.7274 14.7274 18.7724 18.7724 18.7724 18.7724 20.7296 20.7296 k = 0.4400 0.3393 0.3385 ( 2652 PWs) bands (ev): -11.3012 -11.3012 -11.3012 -11.3012 -11.0051 -11.0051 -11.0051 -11.0051 -10.1403 -10.1403 -10.1403 -10.1403 -10.0237 -10.0237 -10.0237 -10.0237 -9.7051 -9.7051 -9.7051 -9.7051 -7.2718 -7.2718 -7.2718 -7.2718 -5.9814 -5.9814 -5.9814 -5.9814 1.7859 1.7859 1.7859 1.7859 4.7738 4.7738 4.7738 4.7738 7.1269 7.1269 7.1269 7.1269 7.3853 7.3853 7.3853 7.3853 8.8258 8.8258 8.8258 8.8258 8.9288 8.9288 8.9288 8.9288 14.7365 14.7365 14.7365 14.7365 18.7816 18.7816 18.7816 18.7816 20.7093 20.7093 k = 0.4300 0.3393 0.3385 ( 2652 PWs) bands (ev): -11.2952 -11.2952 -11.2952 -11.2952 -11.0080 -11.0080 -11.0080 -11.0080 -10.1400 -10.1400 -10.1400 -10.1400 -10.0263 -10.0263 -10.0263 -10.0263 -9.7065 -9.7065 -9.7065 -9.7065 -7.2728 -7.2728 -7.2728 -7.2728 -5.9997 -5.9997 -5.9997 -5.9997 1.8129 1.8129 1.8129 1.8129 4.8027 4.8027 4.8027 4.8027 7.1060 7.1060 7.1060 7.1060 7.3797 7.3797 7.3797 7.3797 8.8323 8.8323 8.8323 8.8323 8.9278 8.9278 8.9278 8.9278 14.7471 14.7471 14.7471 14.7471 18.7919 18.7919 18.7919 18.7919 20.6859 20.6859 k = 0.4200 0.3393 0.3385 ( 2660 PWs) bands (ev): -11.2884 -11.2884 -11.2884 -11.2884 -11.0114 -11.0114 -11.0114 -11.0114 -10.1397 -10.1397 -10.1397 -10.1397 -10.0292 -10.0292 -10.0292 -10.0292 -9.7080 -9.7080 -9.7080 -9.7080 -7.2740 -7.2740 -7.2740 -7.2740 -6.0206 -6.0206 -6.0206 -6.0206 1.8438 1.8438 1.8438 1.8438 4.8359 4.8359 4.8359 4.8359 7.0824 7.0824 7.0824 7.0824 7.3732 7.3732 7.3732 7.3732 8.8393 8.8393 8.8393 8.8393 8.9268 8.9268 8.9268 8.9268 14.7589 14.7589 14.7589 14.7589 18.8029 18.8029 18.8029 18.8029 20.6597 20.6597 k = 0.4100 0.3393 0.3385 ( 2664 PWs) bands (ev): -11.2807 -11.2807 -11.2807 -11.2807 -11.0152 -11.0152 -11.0152 -11.0152 -10.1394 -10.1394 -10.1394 -10.1394 -10.0323 -10.0323 -10.0323 -10.0323 -9.7096 -9.7096 -9.7096 -9.7096 -7.2752 -7.2752 -7.2752 -7.2752 -6.0439 -6.0439 -6.0439 -6.0439 1.8786 1.8786 1.8786 1.8786 4.8731 4.8731 4.8731 4.8731 7.0564 7.0564 7.0564 7.0564 7.3660 7.3660 7.3660 7.3660 8.8466 8.8466 8.8466 8.8466 8.9256 8.9256 8.9256 8.9256 14.7719 14.7719 14.7719 14.7719 18.8145 18.8145 18.8145 18.8145 20.6312 20.6312 k = 0.4000 0.3393 0.3385 ( 2652 PWs) bands (ev): -11.2722 -11.2722 -11.2722 -11.2722 -11.0195 -11.0195 -11.0195 -11.0195 -10.1391 -10.1391 -10.1391 -10.1391 -10.0356 -10.0356 -10.0356 -10.0356 -9.7113 -9.7113 -9.7113 -9.7113 -7.2766 -7.2766 -7.2766 -7.2766 -6.0698 -6.0698 -6.0698 -6.0698 1.9171 1.9171 1.9171 1.9171 4.9144 4.9144 4.9144 4.9144 7.0282 7.0282 7.0282 7.0282 7.3580 7.3580 7.3580 7.3580 8.8542 8.8542 8.8542 8.8542 8.9243 8.9243 8.9243 8.9243 14.7859 14.7859 14.7859 14.7859 18.8260 18.8260 18.8260 18.8260 20.6008 20.6008 k = 0.3900 0.3393 0.3385 ( 2660 PWs) bands (ev): -11.2630 -11.2630 -11.2630 -11.2630 -11.0242 -11.0242 -11.0242 -11.0242 -10.1389 -10.1389 -10.1389 -10.1389 -10.0389 -10.0389 -10.0389 -10.0389 -9.7131 -9.7131 -9.7131 -9.7131 -7.2782 -7.2782 -7.2782 -7.2782 -6.0979 -6.0979 -6.0979 -6.0979 1.9593 1.9593 1.9593 1.9593 4.9594 4.9594 4.9594 4.9594 6.9981 6.9981 6.9981 6.9981 7.3492 7.3492 7.3492 7.3492 8.8617 8.8617 8.8617 8.8617 8.9229 8.9229 8.9229 8.9229 14.8006 14.8006 14.8006 14.8006 18.8370 18.8370 18.8370 18.8370 20.5691 20.5691 k = 0.3800 0.3393 0.3385 ( 2664 PWs) bands (ev): -11.2531 -11.2531 -11.2531 -11.2531 -11.0293 -11.0293 -11.0293 -11.0293 -10.1388 -10.1388 -10.1388 -10.1388 -10.0422 -10.0422 -10.0422 -10.0422 -9.7150 -9.7150 -9.7150 -9.7150 -7.2798 -7.2798 -7.2798 -7.2798 -6.1283 -6.1283 -6.1283 -6.1283 2.0050 2.0050 2.0050 2.0050 5.0082 5.0082 5.0082 5.0082 6.9662 6.9662 6.9662 6.9662 7.3397 7.3397 7.3397 7.3397 8.8691 8.8691 8.8691 8.8691 8.9213 8.9213 8.9213 8.9213 14.8159 14.8159 14.8159 14.8159 18.8470 18.8470 18.8470 18.8470 20.5368 20.5368 k = 0.3700 0.3393 0.3385 ( 2664 PWs) bands (ev): -11.2425 -11.2425 -11.2425 -11.2425 -11.0348 -11.0348 -11.0348 -11.0348 -10.1388 -10.1388 -10.1388 -10.1388 -10.0455 -10.0455 -10.0455 -10.0455 -9.7169 -9.7169 -9.7169 -9.7169 -7.2815 -7.2815 -7.2815 -7.2815 -6.1609 -6.1609 -6.1609 -6.1609 2.0540 2.0540 2.0540 2.0540 5.0604 5.0604 5.0604 5.0604 6.9329 6.9329 6.9329 6.9329 7.3295 7.3295 7.3295 7.3295 8.8762 8.8762 8.8762 8.8762 8.9197 8.9197 8.9197 8.9197 14.8316 14.8316 14.8316 14.8316 18.8552 18.8552 18.8552 18.8552 20.5045 20.5045 k = 0.3600 0.3393 0.3385 ( 2668 PWs) bands (ev): -11.2313 -11.2313 -11.2313 -11.2313 -11.0408 -11.0408 -11.0408 -11.0408 -10.1389 -10.1389 -10.1389 -10.1389 -10.0485 -10.0485 -10.0485 -10.0485 -9.7188 -9.7188 -9.7188 -9.7188 -7.2833 -7.2833 -7.2833 -7.2833 -6.1954 -6.1954 -6.1954 -6.1954 2.1064 2.1064 2.1064 2.1064 5.1160 5.1160 5.1160 5.1160 6.8984 6.8984 6.8984 6.8984 7.3186 7.3186 7.3186 7.3186 8.8828 8.8828 8.8828 8.8828 8.9181 8.9181 8.9181 8.9181 14.8474 14.8474 14.8474 14.8474 18.8610 18.8610 18.8610 18.8610 20.4730 20.4730 k = 0.3500 0.3393 0.3385 ( 2672 PWs) bands (ev): -11.2196 -11.2196 -11.2196 -11.2196 -11.0471 -11.0471 -11.0471 -11.0471 -10.1393 -10.1393 -10.1393 -10.1393 -10.0513 -10.0513 -10.0513 -10.0513 -9.7207 -9.7207 -9.7207 -9.7207 -7.2851 -7.2851 -7.2851 -7.2851 -6.2318 -6.2318 -6.2318 -6.2318 2.1618 2.1618 2.1618 2.1618 5.1748 5.1748 5.1748 5.1748 6.8629 6.8629 6.8629 6.8629 7.3069 7.3069 7.3069 7.3069 8.8888 8.8888 8.8888 8.8888 8.9163 8.9163 8.9163 8.9163 14.8632 14.8632 14.8632 14.8632 18.8635 18.8635 18.8635 18.8635 20.4432 20.4432 k = 0.3400 0.3393 0.3385 ( 2676 PWs) bands (ev): -11.2075 -11.2075 -11.2075 -11.2075 -11.0537 -11.0537 -11.0537 -11.0537 -10.1399 -10.1399 -10.1399 -10.1399 -10.0537 -10.0537 -10.0537 -10.0537 -9.7225 -9.7225 -9.7225 -9.7225 -7.2871 -7.2871 -7.2871 -7.2871 -6.2700 -6.2700 -6.2700 -6.2700 2.2202 2.2202 2.2202 2.2202 5.2365 5.2365 5.2365 5.2365 6.8268 6.8268 6.8268 6.8268 7.2945 7.2945 7.2945 7.2945 8.8940 8.8940 8.8940 8.8940 8.9146 8.9146 8.9146 8.9146 14.8786 14.8786 14.8786 14.8786 18.8621 18.8621 18.8621 18.8621 20.4159 20.4159 k = 0.3300 0.3393 0.3385 ( 2684 PWs) bands (ev): -11.1950 -11.1950 -11.1950 -11.1950 -11.0605 -11.0605 -11.0605 -11.0605 -10.1407 -10.1407 -10.1407 -10.1407 -10.0556 -10.0556 -10.0556 -10.0556 -9.7244 -9.7244 -9.7244 -9.7244 -7.2890 -7.2890 -7.2890 -7.2890 -6.3098 -6.3098 -6.3098 -6.3098 2.2813 2.2813 2.2813 2.2813 5.3009 5.3009 5.3009 5.3009 6.7901 6.7901 6.7901 6.7901 7.2815 7.2815 7.2815 7.2815 8.8982 8.8982 8.8982 8.8982 8.9130 8.9130 8.9130 8.9130 14.8934 14.8934 14.8934 14.8934 18.8559 18.8559 18.8559 18.8559 20.3919 20.3919 k = 0.3200 0.3393 0.3385 ( 2684 PWs) bands (ev): -11.1824 -11.1824 -11.1824 -11.1824 -11.0674 -11.0674 -11.0674 -11.0674 -10.1418 -10.1418 -10.1418 -10.1418 -10.0570 -10.0570 -10.0570 -10.0570 -9.7261 -9.7261 -9.7261 -9.7261 -7.2911 -7.2911 -7.2911 -7.2911 -6.3510 -6.3510 -6.3510 -6.3510 2.3451 2.3451 2.3451 2.3451 5.3678 5.3678 5.3678 5.3678 6.7534 6.7534 6.7534 6.7534 7.2677 7.2677 7.2677 7.2677 8.9012 8.9012 8.9012 8.9012 8.9117 8.9117 8.9117 8.9117 14.9074 14.9074 14.9074 14.9074 18.8442 18.8442 18.8442 18.8442 20.3720 20.3720 k = 0.3100 0.3393 0.3385 ( 2688 PWs) bands (ev): -11.1699 -11.1699 -11.1699 -11.1699 -11.0743 -11.0743 -11.0743 -11.0743 -10.1431 -10.1431 -10.1431 -10.1431 -10.0577 -10.0577 -10.0577 -10.0577 -9.7278 -9.7278 -9.7278 -9.7278 -7.2931 -7.2931 -7.2931 -7.2931 -6.3937 -6.3937 -6.3937 -6.3937 2.4113 2.4113 2.4113 2.4113 5.4368 5.4368 5.4368 5.4368 6.7168 6.7168 6.7168 6.7168 7.2532 7.2532 7.2532 7.2532 8.9025 8.9025 8.9025 8.9025 8.9111 8.9111 8.9111 8.9111 14.9203 14.9203 14.9203 14.9203 18.8264 18.8264 18.8264 18.8264 20.3569 20.3569 k = 0.3000 0.3393 0.3385 ( 2688 PWs) bands (ev): -11.1579 -11.1579 -11.1579 -11.1579 -11.0806 -11.0806 -11.0806 -11.0806 -10.1446 -10.1446 -10.1446 -10.1446 -10.0578 -10.0578 -10.0578 -10.0578 -9.7294 -9.7294 -9.7294 -9.7294 -7.2952 -7.2952 -7.2952 -7.2952 -6.4375 -6.4375 -6.4375 -6.4375 2.4797 2.4797 2.4797 2.4797 5.5075 5.5075 5.5075 5.5075 6.6806 6.6806 6.6806 6.6806 7.2381 7.2381 7.2381 7.2381 8.9021 8.9021 8.9021 8.9021 8.9110 8.9110 8.9110 8.9110 14.9319 14.9319 14.9319 14.9319 18.8021 18.8021 18.8021 18.8021 20.3470 20.3470 k = 0.2900 0.3393 0.3385 ( 2692 PWs) bands (ev): -11.1475 -11.1475 -11.1475 -11.1475 -11.0856 -11.0856 -11.0856 -11.0856 -10.1463 -10.1463 -10.1463 -10.1463 -10.0572 -10.0572 -10.0572 -10.0572 -9.7309 -9.7309 -9.7309 -9.7309 -7.2972 -7.2972 -7.2972 -7.2972 -6.4824 -6.4824 -6.4824 -6.4824 2.5502 2.5502 2.5502 2.5502 5.5797 5.5797 5.5797 5.5797 6.6453 6.6453 6.6453 6.6453 7.2223 7.2223 7.2223 7.2223 8.9007 8.9007 8.9007 8.9007 8.9109 8.9109 8.9109 8.9109 14.9419 14.9419 14.9419 14.9419 18.7711 18.7711 18.7711 18.7711 20.3426 20.3426 k = 0.2800 0.3393 0.3385 ( 2692 PWs) bands (ev): -11.1403 -11.1403 -11.1403 -11.1403 -11.0875 -11.0875 -11.0875 -11.0875 -10.1480 -10.1480 -10.1480 -10.1480 -10.0560 -10.0560 -10.0560 -10.0560 -9.7323 -9.7323 -9.7323 -9.7323 -7.2993 -7.2993 -7.2993 -7.2993 -6.5281 -6.5281 -6.5281 -6.5281 2.6225 2.6225 2.6225 2.6225 5.6527 5.6527 5.6527 5.6527 6.6113 6.6113 6.6113 6.6113 7.2059 7.2059 7.2059 7.2059 8.8987 8.8987 8.8987 8.8987 8.9100 8.9100 8.9100 8.9100 14.9502 14.9502 14.9502 14.9502 18.7336 18.7336 18.7336 18.7336 20.3436 20.3436 k = 0.2700 0.3393 0.3385 ( 2696 PWs) bands (ev): -11.1383 -11.1383 -11.1383 -11.1383 -11.0844 -11.0844 -11.0844 -11.0844 -10.1498 -10.1498 -10.1498 -10.1498 -10.0541 -10.0541 -10.0541 -10.0541 -9.7336 -9.7336 -9.7336 -9.7336 -7.3014 -7.3014 -7.3014 -7.3014 -6.5747 -6.5747 -6.5747 -6.5747 2.6965 2.6965 2.6965 2.6965 5.7258 5.7258 5.7258 5.7258 6.5794 6.5794 6.5794 6.5794 7.1888 7.1888 7.1888 7.1888 8.8965 8.8965 8.8965 8.8965 8.9082 8.9082 8.9082 8.9082 14.9566 14.9566 14.9566 14.9566 18.6896 18.6896 18.6896 18.6896 20.3500 20.3500 k = 0.2600 0.3393 0.3385 ( 2696 PWs) bands (ev): -11.1414 -11.1414 -11.1414 -11.1414 -11.0763 -11.0763 -11.0763 -11.0763 -10.1515 -10.1515 -10.1515 -10.1515 -10.0515 -10.0515 -10.0515 -10.0515 -9.7348 -9.7348 -9.7348 -9.7348 -7.3034 -7.3034 -7.3034 -7.3034 -6.6218 -6.6218 -6.6218 -6.6218 2.7719 2.7719 2.7719 2.7719 5.7981 5.7981 5.7981 5.7981 6.5503 6.5503 6.5503 6.5503 7.1711 7.1711 7.1711 7.1711 8.8940 8.8940 8.8940 8.8940 8.9053 8.9053 8.9053 8.9053 14.9608 14.9608 14.9608 14.9608 18.6397 18.6397 18.6397 18.6397 20.3613 20.3613 k = 0.2500 0.3393 0.3385 ( 2700 PWs) bands (ev): -11.1477 -11.1477 -11.1477 -11.1477 -11.0654 -11.0654 -11.0654 -11.0654 -10.1531 -10.1531 -10.1531 -10.1531 -10.0483 -10.0483 -10.0483 -10.0483 -9.7358 -9.7358 -9.7358 -9.7358 -7.3055 -7.3055 -7.3055 -7.3055 -6.6694 -6.6694 -6.6694 -6.6694 2.8484 2.8484 2.8484 2.8484 5.8682 5.8682 5.8682 5.8682 6.5254 6.5254 6.5254 6.5254 7.1529 7.1529 7.1529 7.1529 8.8911 8.8911 8.8911 8.8911 8.9014 8.9014 8.9014 8.9014 14.9629 14.9629 14.9629 14.9629 18.5846 18.5846 18.5846 18.5846 20.3771 20.3771 k = 0.2400 0.3393 0.3385 ( 2700 PWs) bands (ev): -11.1558 -11.1558 -11.1558 -11.1558 -11.0530 -11.0530 -11.0530 -11.0530 -10.1546 -10.1546 -10.1546 -10.1546 -10.0445 -10.0445 -10.0445 -10.0445 -9.7367 -9.7367 -9.7367 -9.7367 -7.3075 -7.3075 -7.3075 -7.3075 -6.7173 -6.7173 -6.7173 -6.7173 2.9259 2.9259 2.9259 2.9259 5.9339 5.9339 5.9339 5.9339 6.5068 6.5068 6.5068 6.5068 7.1340 7.1340 7.1340 7.1340 8.8876 8.8876 8.8876 8.8876 8.8968 8.8968 8.8968 8.8968 14.9626 14.9626 14.9626 14.9626 18.5247 18.5247 18.5247 18.5247 20.3969 20.3969 k = 0.2300 0.3393 0.3385 ( 2700 PWs) bands (ev): -11.1647 -11.1647 -11.1647 -11.1647 -11.0401 -11.0401 -11.0401 -11.0401 -10.1558 -10.1558 -10.1558 -10.1558 -10.0401 -10.0401 -10.0401 -10.0401 -9.7375 -9.7375 -9.7375 -9.7375 -7.3095 -7.3095 -7.3095 -7.3095 -6.7653 -6.7653 -6.7653 -6.7653 3.0041 3.0041 3.0041 3.0041 5.9923 5.9923 5.9923 5.9923 6.4972 6.4972 6.4972 6.4972 7.1147 7.1147 7.1147 7.1147 8.8826 8.8826 8.8826 8.8826 8.8923 8.8923 8.8923 8.8923 14.9600 14.9600 14.9600 14.9600 18.4610 18.4610 18.4610 18.4610 20.4201 20.4201 k = 0.2200 0.3393 0.3385 ( 2700 PWs) bands (ev): -11.1742 -11.1742 -11.1742 -11.1742 -11.0271 -11.0271 -11.0271 -11.0271 -10.1568 -10.1568 -10.1568 -10.1568 -10.0352 -10.0352 -10.0352 -10.0352 -9.7381 -9.7381 -9.7381 -9.7381 -7.3114 -7.3114 -7.3114 -7.3114 -6.8133 -6.8133 -6.8133 -6.8133 3.0827 3.0827 3.0827 3.0827 6.0394 6.0394 6.0394 6.0394 6.5005 6.5005 6.5005 6.5005 7.0948 7.0948 7.0948 7.0948 8.8753 8.8753 8.8753 8.8753 8.8887 8.8887 8.8887 8.8887 14.9551 14.9551 14.9551 14.9551 18.3941 18.3941 18.3941 18.3941 20.4461 20.4461 k = 0.2100 0.3393 0.3385 ( 2712 PWs) bands (ev): -11.1840 -11.1840 -11.1840 -11.1840 -11.0141 -11.0141 -11.0141 -11.0141 -10.1575 -10.1575 -10.1575 -10.1575 -10.0296 -10.0296 -10.0296 -10.0296 -9.7386 -9.7386 -9.7386 -9.7386 -7.3133 -7.3133 -7.3133 -7.3133 -6.8611 -6.8611 -6.8611 -6.8611 3.1616 3.1616 3.1616 3.1616 6.0716 6.0716 6.0716 6.0716 6.5201 6.5201 6.5201 6.5201 7.0746 7.0746 7.0746 7.0746 8.8659 8.8659 8.8659 8.8659 8.8858 8.8858 8.8858 8.8858 14.9479 14.9479 14.9479 14.9479 18.3247 18.3247 18.3247 18.3247 20.4744 20.4744 k = 0.2000 0.3393 0.3385 ( 2712 PWs) bands (ev): -11.1939 -11.1939 -11.1939 -11.1939 -11.0015 -11.0015 -11.0015 -11.0015 -10.1580 -10.1580 -10.1580 -10.1580 -10.0235 -10.0235 -10.0235 -10.0235 -9.7388 -9.7388 -9.7388 -9.7388 -7.3152 -7.3152 -7.3152 -7.3152 -6.9085 -6.9085 -6.9085 -6.9085 3.2403 3.2403 3.2403 3.2403 6.0878 6.0878 6.0878 6.0878 6.5570 6.5570 6.5570 6.5570 7.0541 7.0541 7.0541 7.0541 8.8547 8.8547 8.8547 8.8547 8.8832 8.8832 8.8832 8.8832 14.9384 14.9384 14.9384 14.9384 18.2536 18.2536 18.2536 18.2536 20.5044 20.5044 k = 0.1900 0.3393 0.3385 ( 2716 PWs) bands (ev): -11.2039 -11.2039 -11.2039 -11.2039 -10.9892 -10.9892 -10.9892 -10.9892 -10.1582 -10.1582 -10.1582 -10.1582 -10.0169 -10.0169 -10.0169 -10.0169 -9.7390 -9.7390 -9.7390 -9.7390 -7.3170 -7.3170 -7.3170 -7.3170 -6.9554 -6.9554 -6.9554 -6.9554 3.3187 3.3187 3.3187 3.3187 6.0903 6.0903 6.0903 6.0903 6.6085 6.6085 6.6085 6.6085 7.0335 7.0335 7.0335 7.0335 8.8417 8.8417 8.8417 8.8417 8.8808 8.8808 8.8808 8.8808 14.9269 14.9269 14.9269 14.9269 18.1814 18.1814 18.1814 18.1814 20.5356 20.5356 k = 0.1800 0.3393 0.3385 ( 2720 PWs) bands (ev): -11.2137 -11.2137 -11.2137 -11.2137 -10.9774 -10.9774 -10.9774 -10.9774 -10.1581 -10.1581 -10.1581 -10.1581 -10.0098 -10.0098 -10.0098 -10.0098 -9.7389 -9.7389 -9.7389 -9.7389 -7.3187 -7.3187 -7.3187 -7.3187 -7.0016 -7.0016 -7.0016 -7.0016 3.3963 3.3963 3.3963 3.3963 6.0830 6.0830 6.0830 6.0830 6.6704 6.6704 6.6704 6.6704 7.0132 7.0132 7.0132 7.0132 8.8272 8.8272 8.8272 8.8272 8.8785 8.8785 8.8785 8.8785 14.9136 14.9136 14.9136 14.9136 18.1088 18.1088 18.1088 18.1088 20.5676 20.5676 k = 0.1700 0.3393 0.3385 ( 2716 PWs) bands (ev): -11.2235 -11.2235 -11.2235 -11.2235 -10.9662 -10.9662 -10.9662 -10.9662 -10.1579 -10.1579 -10.1579 -10.1579 -10.0023 -10.0023 -10.0023 -10.0023 -9.7387 -9.7387 -9.7387 -9.7387 -7.3204 -7.3204 -7.3204 -7.3204 -7.0468 -7.0468 -7.0468 -7.0468 3.4730 3.4730 3.4730 3.4730 6.0695 6.0695 6.0695 6.0695 6.7382 6.7382 6.7382 6.7382 6.9938 6.9938 6.9938 6.9938 8.8110 8.8110 8.8110 8.8110 8.8764 8.8764 8.8764 8.8764 14.8985 14.8985 14.8985 14.8985 18.0365 18.0365 18.0365 18.0365 20.5997 20.5997 k = 0.1600 0.3393 0.3385 ( 2720 PWs) bands (ev): -11.2331 -11.2331 -11.2331 -11.2331 -10.9555 -10.9555 -10.9555 -10.9555 -10.1575 -10.1575 -10.1575 -10.1575 -9.9944 -9.9944 -9.9944 -9.9944 -9.7383 -9.7383 -9.7383 -9.7383 -7.3221 -7.3221 -7.3221 -7.3221 -7.0909 -7.0909 -7.0909 -7.0909 3.5484 3.5484 3.5484 3.5484 6.0525 6.0525 6.0525 6.0525 6.8068 6.8068 6.8068 6.8068 6.9776 6.9776 6.9776 6.9776 8.7932 8.7932 8.7932 8.7932 8.8743 8.8743 8.8743 8.8743 14.8820 14.8820 14.8820 14.8820 17.9649 17.9649 17.9649 17.9649 20.6315 20.6315 k = 0.1500 0.3393 0.3385 ( 2720 PWs) bands (ev): -11.2424 -11.2424 -11.2424 -11.2424 -10.9455 -10.9455 -10.9455 -10.9455 -10.1570 -10.1570 -10.1570 -10.1570 -9.9862 -9.9862 -9.9862 -9.9862 -9.7377 -9.7377 -9.7377 -9.7377 -7.3237 -7.3237 -7.3237 -7.3237 -7.1337 -7.1337 -7.1337 -7.1337 3.6222 3.6222 3.6222 3.6222 6.0336 6.0336 6.0336 6.0336 6.8653 6.8653 6.8653 6.8653 6.9740 6.9740 6.9740 6.9740 8.7738 8.7738 8.7738 8.7738 8.8724 8.8724 8.8724 8.8724 14.8643 14.8643 14.8643 14.8643 17.8946 17.8946 17.8946 17.8946 20.6627 20.6627 k = 0.1400 0.3393 0.3385 ( 2724 PWs) bands (ev): -11.2514 -11.2514 -11.2514 -11.2514 -10.9362 -10.9362 -10.9362 -10.9362 -10.1563 -10.1563 -10.1563 -10.1563 -9.9777 -9.9777 -9.9777 -9.9777 -9.7369 -9.7369 -9.7369 -9.7369 -7.3254 -7.3254 -7.3254 -7.3254 -7.1750 -7.1750 -7.1750 -7.1750 3.6939 3.6939 3.6939 3.6939 6.0139 6.0139 6.0139 6.0139 6.8872 6.8872 6.8872 6.8872 7.0081 7.0081 7.0081 7.0081 8.7529 8.7529 8.7529 8.7529 8.8705 8.8705 8.8705 8.8705 14.8458 14.8458 14.8458 14.8458 17.8262 17.8262 17.8262 17.8262 20.6927 20.6927 k = 0.1300 0.3393 0.3385 ( 2732 PWs) bands (ev): -11.2600 -11.2600 -11.2600 -11.2600 -10.9275 -10.9275 -10.9275 -10.9275 -10.1555 -10.1555 -10.1555 -10.1555 -9.9691 -9.9691 -9.9691 -9.9691 -9.7359 -9.7359 -9.7359 -9.7359 -7.3271 -7.3271 -7.3271 -7.3271 -7.2144 -7.2144 -7.2144 -7.2144 3.7633 3.7633 3.7633 3.7633 5.9943 5.9943 5.9943 5.9943 6.8785 6.8785 6.8785 6.8785 7.0732 7.0732 7.0732 7.0732 8.7303 8.7303 8.7303 8.7303 8.8688 8.8688 8.8688 8.8688 14.8267 14.8267 14.8267 14.8267 17.7601 17.7601 17.7601 17.7601 20.7212 20.7212 k = 0.1200 0.3393 0.3385 ( 2732 PWs) bands (ev): -11.2682 -11.2682 -11.2682 -11.2682 -10.9196 -10.9196 -10.9196 -10.9196 -10.1547 -10.1547 -10.1547 -10.1547 -9.9605 -9.9605 -9.9605 -9.9605 -9.7347 -9.7347 -9.7347 -9.7347 -7.3291 -7.3291 -7.3291 -7.3291 -7.2516 -7.2516 -7.2516 -7.2516 3.8299 3.8299 3.8299 3.8299 5.9750 5.9750 5.9750 5.9750 6.8614 6.8614 6.8614 6.8614 7.1464 7.1464 7.1464 7.1464 8.7062 8.7062 8.7062 8.7062 8.8671 8.8671 8.8671 8.8671 14.8074 14.8074 14.8074 14.8074 17.6968 17.6968 17.6968 17.6968 20.7481 20.7481 k = 0.1100 0.3393 0.3385 ( 2724 PWs) bands (ev): -11.2760 -11.2760 -11.2760 -11.2760 -10.9123 -10.9123 -10.9123 -10.9123 -10.1539 -10.1539 -10.1539 -10.1539 -9.9521 -9.9521 -9.9521 -9.9521 -9.7334 -9.7334 -9.7334 -9.7334 -7.3322 -7.3322 -7.3322 -7.3322 -7.2856 -7.2856 -7.2856 -7.2856 3.8934 3.8934 3.8934 3.8934 5.9566 5.9566 5.9566 5.9566 6.8422 6.8422 6.8422 6.8422 7.2209 7.2209 7.2209 7.2209 8.6807 8.6807 8.6807 8.6807 8.8656 8.8656 8.8656 8.8656 14.7881 14.7881 14.7881 14.7881 17.6369 17.6369 17.6369 17.6369 20.7730 20.7730 k = 0.1000 0.3393 0.3385 ( 2720 PWs) bands (ev): -11.2832 -11.2832 -11.2832 -11.2832 -10.9058 -10.9058 -10.9058 -10.9058 -10.1531 -10.1531 -10.1531 -10.1531 -9.9438 -9.9438 -9.9438 -9.9438 -9.7319 -9.7319 -9.7319 -9.7319 -7.3401 -7.3401 -7.3401 -7.3401 -7.3124 -7.3124 -7.3124 -7.3124 3.9534 3.9534 3.9534 3.9534 5.9393 5.9393 5.9393 5.9393 6.8227 6.8227 6.8227 6.8227 7.2947 7.2947 7.2947 7.2947 8.6538 8.6538 8.6538 8.6538 8.8642 8.8642 8.8642 8.8642 14.7693 14.7693 14.7693 14.7693 17.5806 17.5806 17.5806 17.5806 20.7958 20.7958 k = 0.0900 0.3393 0.3385 ( 2716 PWs) bands (ev): -11.2898 -11.2898 -11.2898 -11.2898 -10.8999 -10.8999 -10.8999 -10.8999 -10.1523 -10.1523 -10.1523 -10.1523 -9.9360 -9.9360 -9.9360 -9.9360 -9.7303 -9.7303 -9.7303 -9.7303 -7.3609 -7.3609 -7.3609 -7.3609 -7.3238 -7.3238 -7.3238 -7.3238 4.0094 4.0094 4.0094 4.0094 5.9232 5.9232 5.9232 5.9232 6.8036 6.8036 6.8036 6.8036 7.3667 7.3667 7.3667 7.3667 8.6258 8.6258 8.6258 8.6258 8.8629 8.8629 8.8629 8.8629 14.7512 14.7512 14.7512 14.7512 17.5284 17.5284 17.5284 17.5284 20.8163 20.8163 k = 0.0800 0.3393 0.3385 ( 2712 PWs) bands (ev): -11.2959 -11.2959 -11.2959 -11.2959 -10.8947 -10.8947 -10.8947 -10.8947 -10.1516 -10.1516 -10.1516 -10.1516 -9.9286 -9.9286 -9.9286 -9.9286 -9.7286 -9.7286 -9.7286 -9.7286 -7.3869 -7.3869 -7.3869 -7.3869 -7.3273 -7.3273 -7.3273 -7.3273 4.0610 4.0610 4.0610 4.0610 5.9085 5.9085 5.9085 5.9085 6.7853 6.7853 6.7853 6.7853 7.4360 7.4360 7.4360 7.4360 8.5969 8.5969 8.5969 8.5969 8.8617 8.8617 8.8617 8.8617 14.7341 14.7341 14.7341 14.7341 17.4807 17.4807 17.4807 17.4807 20.8346 20.8346 k = 0.0700 0.3393 0.3385 ( 2716 PWs) bands (ev): -11.3013 -11.3013 -11.3013 -11.3013 -10.8901 -10.8901 -10.8901 -10.8901 -10.1509 -10.1509 -10.1509 -10.1509 -9.9219 -9.9219 -9.9219 -9.9219 -9.7268 -9.7268 -9.7268 -9.7268 -7.4116 -7.4116 -7.4116 -7.4116 -7.3290 -7.3290 -7.3290 -7.3290 4.1078 4.1078 4.1078 4.1078 5.8953 5.8953 5.8953 5.8953 6.7683 6.7683 6.7683 6.7683 7.5018 7.5018 7.5018 7.5018 8.5674 8.5674 8.5674 8.5674 8.8606 8.8606 8.8606 8.8606 14.7183 14.7183 14.7183 14.7183 17.4377 17.4377 17.4377 17.4377 20.8506 20.8506 k = 0.0600 0.3393 0.3385 ( 2720 PWs) bands (ev): -11.3061 -11.3061 -11.3061 -11.3061 -10.8863 -10.8863 -10.8863 -10.8863 -10.1502 -10.1502 -10.1502 -10.1502 -9.9159 -9.9159 -9.9159 -9.9159 -9.7251 -9.7251 -9.7251 -9.7251 -7.4339 -7.4339 -7.4339 -7.4339 -7.3302 -7.3302 -7.3302 -7.3302 4.1494 4.1494 4.1494 4.1494 5.8837 5.8837 5.8837 5.8837 6.7527 6.7527 6.7527 6.7527 7.5634 7.5634 7.5634 7.5634 8.5381 8.5381 8.5381 8.5381 8.8597 8.8597 8.8597 8.8597 14.7040 14.7040 14.7040 14.7040 17.3999 17.3999 17.3999 17.3999 20.8643 20.8643 k = 0.0500 0.3393 0.3385 ( 2712 PWs) bands (ev): -11.3102 -11.3102 -11.3102 -11.3102 -10.8830 -10.8830 -10.8830 -10.8830 -10.1497 -10.1497 -10.1497 -10.1497 -9.9106 -9.9106 -9.9106 -9.9106 -9.7234 -9.7234 -9.7234 -9.7234 -7.4532 -7.4532 -7.4532 -7.4532 -7.3310 -7.3310 -7.3310 -7.3310 4.1854 4.1854 4.1854 4.1854 5.8738 5.8738 5.8738 5.8738 6.7390 6.7390 6.7390 6.7390 7.6196 7.6196 7.6196 7.6196 8.5095 8.5095 8.5095 8.5095 8.8590 8.8590 8.8590 8.8590 14.6915 14.6915 14.6915 14.6915 17.3674 17.3674 17.3674 17.3674 20.8757 20.8757 k = 0.0400 0.3393 0.3385 ( 2704 PWs) bands (ev): -11.3136 -11.3136 -11.3136 -11.3136 -10.8803 -10.8803 -10.8803 -10.8803 -10.1492 -10.1492 -10.1492 -10.1492 -9.9063 -9.9063 -9.9063 -9.9063 -9.7220 -9.7220 -9.7220 -9.7220 -7.4692 -7.4692 -7.4692 -7.4692 -7.3316 -7.3316 -7.3316 -7.3316 4.2154 4.2154 4.2154 4.2154 5.8656 5.8656 5.8656 5.8656 6.7274 6.7274 6.7274 6.7274 7.6692 7.6692 7.6692 7.6692 8.4828 8.4828 8.4828 8.4828 8.8583 8.8583 8.8583 8.8583 14.6811 14.6811 14.6811 14.6811 17.3404 17.3404 17.3404 17.3404 20.8850 20.8850 k = 0.0300 0.3393 0.3385 ( 2708 PWs) bands (ev): -11.3162 -11.3162 -11.3162 -11.3162 -10.8783 -10.8783 -10.8783 -10.8783 -10.1489 -10.1489 -10.1489 -10.1489 -9.9028 -9.9028 -9.9028 -9.9028 -9.7207 -9.7207 -9.7207 -9.7207 -7.4818 -7.4818 -7.4818 -7.4818 -7.3321 -7.3321 -7.3321 -7.3321 4.2391 4.2391 4.2391 4.2391 5.8592 5.8592 5.8592 5.8592 6.7181 6.7181 6.7181 6.7181 7.7107 7.7107 7.7107 7.7107 8.4593 8.4593 8.4593 8.4593 8.8578 8.8578 8.8578 8.8578 14.6727 14.6727 14.6727 14.6727 17.3193 17.3193 17.3193 17.3193 20.8922 20.8922 k = 0.0200 0.3393 0.3385 ( 2704 PWs) bands (ev): -11.3181 -11.3181 -11.3181 -11.3181 -10.8768 -10.8768 -10.8768 -10.8768 -10.1486 -10.1486 -10.1486 -10.1486 -9.9004 -9.9004 -9.9004 -9.9004 -9.7198 -9.7198 -9.7198 -9.7198 -7.4910 -7.4910 -7.4910 -7.4910 -7.3324 -7.3324 -7.3324 -7.3324 4.2562 4.2562 4.2562 4.2562 5.8546 5.8546 5.8546 5.8546 6.7113 6.7113 6.7113 6.7113 7.7423 7.7423 7.7423 7.7423 8.4406 8.4406 8.4406 8.4406 8.8575 8.8575 8.8575 8.8575 14.6667 14.6667 14.6667 14.6667 17.3041 17.3041 17.3041 17.3041 20.8973 20.8973 k = 0.0100 0.3393 0.3385 ( 2688 PWs) bands (ev): -11.3193 -11.3193 -11.3193 -11.3193 -10.8760 -10.8760 -10.8760 -10.8760 -10.1485 -10.1485 -10.1485 -10.1485 -9.8989 -9.8989 -9.8989 -9.8989 -9.7192 -9.7192 -9.7192 -9.7192 -7.4965 -7.4965 -7.4965 -7.4965 -7.3326 -7.3326 -7.3326 -7.3326 4.2666 4.2666 4.2666 4.2666 5.8519 5.8519 5.8519 5.8519 6.7071 6.7071 6.7071 6.7071 7.7623 7.7623 7.7623 7.7623 8.4285 8.4285 8.4285 8.4285 8.8572 8.8572 8.8572 8.8572 14.6630 14.6630 14.6630 14.6630 17.2949 17.2949 17.2949 17.2949 20.9003 20.9003 k = 0.0000 0.3393 0.3385 ( 2688 PWs) bands (ev): -11.3196 -11.3196 -11.3196 -11.3196 -10.8757 -10.8757 -10.8757 -10.8757 -10.1484 -10.1484 -10.1484 -10.1484 -9.8984 -9.8984 -9.8984 -9.8984 -9.7190 -9.7190 -9.7190 -9.7190 -7.4983 -7.4983 -7.4983 -7.4983 -7.3327 -7.3327 -7.3327 -7.3327 4.2700 4.2700 4.2700 4.2700 5.8509 5.8509 5.8509 5.8509 6.7057 6.7057 6.7057 6.7057 7.7691 7.7691 7.7691 7.7691 8.4242 8.4242 8.4242 8.4242 8.8572 8.8572 8.8572 8.8572 14.6618 14.6618 14.6618 14.6618 17.2918 17.2918 17.2918 17.2918 20.9013 20.9013 k = 0.0000 0.3393 0.3385 ( 2688 PWs) bands (ev): -11.3196 -11.3196 -11.3196 -11.3196 -10.8757 -10.8757 -10.8757 -10.8757 -10.1484 -10.1484 -10.1484 -10.1484 -9.8984 -9.8984 -9.8984 -9.8984 -9.7190 -9.7190 -9.7190 -9.7190 -7.4983 -7.4983 -7.4983 -7.4983 -7.3327 -7.3327 -7.3327 -7.3327 4.2700 4.2700 4.2700 4.2700 5.8509 5.8509 5.8509 5.8509 6.7057 6.7057 6.7057 6.7057 7.7691 7.7691 7.7691 7.7691 8.4242 8.4242 8.4242 8.4242 8.8572 8.8572 8.8572 8.8572 14.6618 14.6618 14.6618 14.6618 17.2918 17.2918 17.2918 17.2918 20.9013 20.9013 k = 0.0000 0.3293 0.3385 ( 2690 PWs) bands (ev): -11.3195 -11.3195 -11.3195 -11.3195 -10.8757 -10.8757 -10.8757 -10.8757 -10.1484 -10.1484 -10.1484 -10.1484 -9.8984 -9.8984 -9.8984 -9.8984 -9.7190 -9.7190 -9.7190 -9.7190 -7.5123 -7.5123 -7.5123 -7.5123 -7.3184 -7.3184 -7.3184 -7.3184 4.2664 4.2664 4.2664 4.2664 5.8543 5.8543 5.8543 5.8543 6.7055 6.7055 6.7055 6.7055 7.7691 7.7691 7.7691 7.7691 8.4246 8.4246 8.4246 8.4246 8.8577 8.8577 8.8577 8.8577 14.6609 14.6609 14.6609 14.6609 17.2910 17.2910 17.2910 17.2910 20.9005 20.9005 k = 0.0000 0.3194 0.3385 ( 2686 PWs) bands (ev): -11.3191 -11.3191 -11.3191 -11.3191 -10.8757 -10.8757 -10.8757 -10.8757 -10.1483 -10.1483 -10.1483 -10.1483 -9.8984 -9.8984 -9.8984 -9.8984 -9.7191 -9.7191 -9.7191 -9.7191 -7.5453 -7.5453 -7.5453 -7.5453 -7.2847 -7.2847 -7.2847 -7.2847 4.2555 4.2555 4.2555 4.2555 5.8644 5.8644 5.8644 5.8644 6.7049 6.7049 6.7049 6.7049 7.7690 7.7690 7.7690 7.7690 8.4255 8.4255 8.4255 8.4255 8.8594 8.8594 8.8594 8.8594 14.6583 14.6583 14.6583 14.6583 17.2885 17.2885 17.2885 17.2885 20.8981 20.8981 k = 0.0000 0.3094 0.3385 ( 2692 PWs) bands (ev): -11.3183 -11.3183 -11.3183 -11.3183 -10.8757 -10.8757 -10.8757 -10.8757 -10.1481 -10.1481 -10.1481 -10.1481 -9.8985 -9.8985 -9.8985 -9.8985 -9.7192 -9.7192 -9.7192 -9.7192 -7.5862 -7.5862 -7.5862 -7.5862 -7.2424 -7.2424 -7.2424 -7.2424 4.2378 4.2378 4.2378 4.2378 5.8809 5.8809 5.8809 5.8809 6.7038 6.7038 6.7038 6.7038 7.7690 7.7690 7.7690 7.7690 8.4270 8.4270 8.4270 8.4270 8.8621 8.8621 8.8621 8.8621 14.6539 14.6539 14.6539 14.6539 17.2844 17.2844 17.2844 17.2844 20.8942 20.8942 k = 0.0000 0.2994 0.3385 ( 2696 PWs) bands (ev): -11.3173 -11.3173 -11.3173 -11.3173 -10.8757 -10.8757 -10.8757 -10.8757 -10.1478 -10.1478 -10.1478 -10.1478 -9.8986 -9.8986 -9.8986 -9.8986 -9.7193 -9.7193 -9.7193 -9.7193 -7.6303 -7.6303 -7.6303 -7.6303 -7.1965 -7.1965 -7.1965 -7.1965 4.2137 4.2137 4.2137 4.2137 5.9031 5.9031 5.9031 5.9031 6.7024 6.7024 6.7024 6.7024 7.7689 7.7689 7.7689 7.7689 8.4292 8.4292 8.4292 8.4292 8.8660 8.8660 8.8660 8.8660 14.6479 14.6479 14.6479 14.6479 17.2787 17.2787 17.2787 17.2787 20.8890 20.8890 k = 0.0000 0.2894 0.3385 ( 2704 PWs) bands (ev): -11.3160 -11.3160 -11.3160 -11.3160 -10.8757 -10.8757 -10.8757 -10.8757 -10.1474 -10.1474 -10.1474 -10.1474 -9.8988 -9.8988 -9.8988 -9.8988 -9.7195 -9.7195 -9.7195 -9.7195 -7.6755 -7.6755 -7.6755 -7.6755 -7.1489 -7.1489 -7.1489 -7.1489 4.1840 4.1840 4.1840 4.1840 5.9305 5.9305 5.9305 5.9305 6.7005 6.7005 6.7005 6.7005 7.7688 7.7688 7.7688 7.7688 8.4319 8.4319 8.4319 8.4319 8.8708 8.8708 8.8708 8.8708 14.6402 14.6402 14.6402 14.6402 17.2713 17.2713 17.2713 17.2713 20.8826 20.8826 k = 0.0000 0.2794 0.3385 ( 2700 PWs) bands (ev): -11.3145 -11.3145 -11.3145 -11.3145 -10.8757 -10.8757 -10.8757 -10.8757 -10.1470 -10.1470 -10.1470 -10.1470 -9.8989 -9.8989 -9.8989 -9.8989 -9.7197 -9.7197 -9.7197 -9.7197 -7.7209 -7.7209 -7.7209 -7.7209 -7.1006 -7.1006 -7.1006 -7.1006 4.1494 4.1494 4.1494 4.1494 5.9623 5.9623 5.9623 5.9623 6.6983 6.6983 6.6983 6.6983 7.7686 7.7686 7.7686 7.7686 8.4351 8.4351 8.4351 8.4351 8.8767 8.8767 8.8767 8.8767 14.6310 14.6310 14.6310 14.6310 17.2624 17.2624 17.2624 17.2624 20.8753 20.8753 k = 0.0000 0.2695 0.3385 ( 2700 PWs) bands (ev): -11.3127 -11.3127 -11.3127 -11.3127 -10.8758 -10.8758 -10.8758 -10.8758 -10.1465 -10.1465 -10.1465 -10.1465 -9.8991 -9.8991 -9.8991 -9.8991 -9.7200 -9.7200 -9.7200 -9.7200 -7.7662 -7.7662 -7.7662 -7.7662 -7.0520 -7.0520 -7.0520 -7.0520 4.1106 4.1106 4.1106 4.1106 5.9977 5.9977 5.9977 5.9977 6.6958 6.6958 6.6958 6.6958 7.7685 7.7685 7.7685 7.7685 8.4389 8.4389 8.4389 8.4389 8.8836 8.8836 8.8836 8.8836 14.6203 14.6203 14.6203 14.6203 17.2519 17.2519 17.2519 17.2519 20.8673 20.8673 k = 0.0000 0.2595 0.3385 ( 2700 PWs) bands (ev): -11.3106 -11.3106 -11.3106 -11.3106 -10.8758 -10.8758 -10.8758 -10.8758 -10.1459 -10.1459 -10.1459 -10.1459 -9.8994 -9.8994 -9.8994 -9.8994 -9.7203 -9.7203 -9.7203 -9.7203 -7.8109 -7.8109 -7.8109 -7.8109 -7.0035 -7.0035 -7.0035 -7.0035 4.0685 4.0685 4.0685 4.0685 6.0361 6.0361 6.0361 6.0361 6.6929 6.6929 6.6929 6.6929 7.7684 7.7684 7.7684 7.7684 8.4431 8.4431 8.4431 8.4431 8.8915 8.8915 8.8915 8.8915 14.6082 14.6082 14.6082 14.6082 17.2399 17.2399 17.2399 17.2399 20.8590 20.8590 k = 0.0000 0.2495 0.3385 ( 2696 PWs) bands (ev): -11.3084 -11.3084 -11.3084 -11.3084 -10.8758 -10.8758 -10.8758 -10.8758 -10.1453 -10.1453 -10.1453 -10.1453 -9.8996 -9.8996 -9.8996 -9.8996 -9.7206 -9.7206 -9.7206 -9.7206 -7.8550 -7.8550 -7.8550 -7.8550 -6.9553 -6.9553 -6.9553 -6.9553 4.0236 4.0236 4.0236 4.0236 6.0767 6.0767 6.0767 6.0767 6.6898 6.6898 6.6898 6.6898 7.7683 7.7683 7.7683 7.7683 8.4478 8.4478 8.4478 8.4478 8.9002 8.9002 8.9002 8.9002 14.5949 14.5949 14.5949 14.5949 17.2265 17.2265 17.2265 17.2265 20.8506 20.8506 k = 0.0000 0.2395 0.3385 ( 2698 PWs) bands (ev): -11.3059 -11.3059 -11.3059 -11.3059 -10.8759 -10.8759 -10.8759 -10.8759 -10.1446 -10.1446 -10.1446 -10.1446 -9.8999 -9.8999 -9.8999 -9.8999 -9.7210 -9.7210 -9.7210 -9.7210 -7.8983 -7.8983 -7.8983 -7.8983 -6.9075 -6.9075 -6.9075 -6.9075 3.9766 3.9766 3.9766 3.9766 6.1189 6.1189 6.1189 6.1189 6.6864 6.6864 6.6864 6.6864 7.7682 7.7682 7.7682 7.7682 8.4529 8.4529 8.4529 8.4529 8.9097 8.9097 8.9097 8.9097 14.5804 14.5804 14.5804 14.5804 17.2117 17.2117 17.2117 17.2117 20.8424 20.8424 k = 0.0000 0.2295 0.3385 ( 2708 PWs) bands (ev): -11.3032 -11.3032 -11.3032 -11.3032 -10.8759 -10.8759 -10.8759 -10.8759 -10.1438 -10.1438 -10.1438 -10.1438 -9.9003 -9.9003 -9.9003 -9.9003 -9.7214 -9.7214 -9.7214 -9.7214 -7.9406 -7.9406 -7.9406 -7.9406 -6.8603 -6.8603 -6.8603 -6.8603 3.9281 3.9281 3.9281 3.9281 6.1622 6.1622 6.1622 6.1622 6.6828 6.6828 6.6828 6.6828 7.7682 7.7682 7.7682 7.7682 8.4583 8.4583 8.4583 8.4583 8.9200 8.9200 8.9200 8.9200 14.5649 14.5649 14.5649 14.5649 17.1957 17.1957 17.1957 17.1957 20.8347 20.8347 k = 0.0000 0.2196 0.3385 ( 2704 PWs) bands (ev): -11.3004 -11.3004 -11.3004 -11.3004 -10.8759 -10.8759 -10.8759 -10.8759 -10.1430 -10.1430 -10.1430 -10.1430 -9.9006 -9.9006 -9.9006 -9.9006 -9.7218 -9.7218 -9.7218 -9.7218 -7.9818 -7.9818 -7.9818 -7.9818 -6.8139 -6.8139 -6.8139 -6.8139 3.8787 3.8787 3.8787 3.8787 6.2060 6.2060 6.2060 6.2060 6.6791 6.6791 6.6791 6.6791 7.7682 7.7682 7.7682 7.7682 8.4641 8.4641 8.4641 8.4641 8.9310 8.9310 8.9310 8.9310 14.5485 14.5485 14.5485 14.5485 17.1786 17.1786 17.1786 17.1786 20.8276 20.8276 k = 0.0000 0.2096 0.3385 ( 2696 PWs) bands (ev): -11.2974 -11.2974 -11.2974 -11.2974 -10.8760 -10.8760 -10.8760 -10.8760 -10.1420 -10.1420 -10.1420 -10.1420 -9.9010 -9.9010 -9.9010 -9.9010 -9.7222 -9.7222 -9.7222 -9.7222 -8.0219 -8.0219 -8.0219 -8.0219 -6.7684 -6.7684 -6.7684 -6.7684 3.8288 3.8288 3.8288 3.8288 6.2498 6.2498 6.2498 6.2498 6.6752 6.6752 6.6752 6.6752 7.7683 7.7683 7.7683 7.7683 8.4700 8.4700 8.4700 8.4700 8.9426 8.9426 8.9426 8.9426 14.5313 14.5313 14.5313 14.5313 17.1604 17.1604 17.1604 17.1604 20.8215 20.8215 k = 0.0000 0.1996 0.3385 ( 2694 PWs) bands (ev): -11.2942 -11.2942 -11.2942 -11.2942 -10.8760 -10.8760 -10.8760 -10.8760 -10.1411 -10.1411 -10.1411 -10.1411 -9.9014 -9.9014 -9.9014 -9.9014 -9.7226 -9.7226 -9.7226 -9.7226 -8.0607 -8.0607 -8.0607 -8.0607 -6.7240 -6.7240 -6.7240 -6.7240 3.7788 3.7788 3.7788 3.7788 6.2933 6.2933 6.2933 6.2933 6.6713 6.6713 6.6713 6.6713 7.7684 7.7684 7.7684 7.7684 8.4762 8.4762 8.4762 8.4762 8.9547 8.9547 8.9547 8.9547 14.5136 14.5136 14.5136 14.5136 17.1414 17.1414 17.1414 17.1414 20.8165 20.8165 k = 0.0000 0.1896 0.3385 ( 2690 PWs) bands (ev): -11.2910 -11.2910 -11.2910 -11.2910 -10.8761 -10.8761 -10.8761 -10.8761 -10.1401 -10.1401 -10.1401 -10.1401 -9.9019 -9.9019 -9.9019 -9.9019 -9.7231 -9.7231 -9.7231 -9.7231 -8.0982 -8.0982 -8.0982 -8.0982 -6.6806 -6.6806 -6.6806 -6.6806 3.7291 3.7291 3.7291 3.7291 6.3362 6.3362 6.3362 6.3362 6.6674 6.6674 6.6674 6.6674 7.7686 7.7686 7.7686 7.7686 8.4825 8.4825 8.4825 8.4825 8.9673 8.9673 8.9673 8.9673 14.4954 14.4954 14.4954 14.4954 17.1217 17.1217 17.1217 17.1217 20.8126 20.8126 k = 0.0000 0.1796 0.3385 ( 2688 PWs) bands (ev): -11.2877 -11.2877 -11.2877 -11.2877 -10.8762 -10.8762 -10.8762 -10.8762 -10.1390 -10.1390 -10.1390 -10.1390 -9.9024 -9.9024 -9.9024 -9.9024 -9.7236 -9.7236 -9.7236 -9.7236 -8.1343 -8.1343 -8.1343 -8.1343 -6.6386 -6.6386 -6.6386 -6.6386 3.6802 3.6802 3.6802 3.6802 6.3779 6.3779 6.3779 6.3779 6.6635 6.6635 6.6635 6.6635 7.7688 7.7688 7.7688 7.7688 8.4888 8.4888 8.4888 8.4888 8.9802 8.9802 8.9802 8.9802 14.4769 14.4769 14.4769 14.4769 17.1015 17.1015 17.1015 17.1015 20.8100 20.8100 k = 0.0000 0.1697 0.3385 ( 2680 PWs) bands (ev): -11.2844 -11.2844 -11.2844 -11.2844 -10.8762 -10.8762 -10.8762 -10.8762 -10.1379 -10.1379 -10.1379 -10.1379 -9.9029 -9.9029 -9.9029 -9.9029 -9.7241 -9.7241 -9.7241 -9.7241 -8.1689 -8.1689 -8.1689 -8.1689 -6.5980 -6.5980 -6.5980 -6.5980 3.6322 3.6322 3.6322 3.6322 6.4183 6.4183 6.4183 6.4183 6.6598 6.6598 6.6598 6.6598 7.7692 7.7692 7.7692 7.7692 8.4952 8.4952 8.4952 8.4952 8.9933 8.9933 8.9933 8.9933 14.4582 14.4582 14.4582 14.4582 17.0810 17.0810 17.0810 17.0810 20.8086 20.8086 k = 0.0000 0.1597 0.3385 ( 2684 PWs) bands (ev): -11.2810 -11.2810 -11.2810 -11.2810 -10.8763 -10.8763 -10.8763 -10.8763 -10.1368 -10.1368 -10.1368 -10.1368 -9.9034 -9.9034 -9.9034 -9.9034 -9.7246 -9.7246 -9.7246 -9.7246 -8.2019 -8.2019 -8.2019 -8.2019 -6.5589 -6.5589 -6.5589 -6.5589 3.5855 3.5855 3.5855 3.5855 6.4569 6.4569 6.4569 6.4569 6.6565 6.6565 6.6565 6.6565 7.7695 7.7695 7.7695 7.7695 8.5016 8.5016 8.5016 8.5016 9.0066 9.0066 9.0066 9.0066 14.4396 14.4396 14.4396 14.4396 17.0602 17.0602 17.0602 17.0602 20.8085 20.8085 k = 0.0000 0.1497 0.3385 ( 2688 PWs) bands (ev): -11.2776 -11.2776 -11.2776 -11.2776 -10.8763 -10.8763 -10.8763 -10.8763 -10.1356 -10.1356 -10.1356 -10.1356 -9.9039 -9.9039 -9.9039 -9.9039 -9.7251 -9.7251 -9.7251 -9.7251 -8.2334 -8.2334 -8.2334 -8.2334 -6.5214 -6.5214 -6.5214 -6.5214 3.5404 3.5404 3.5404 3.5404 6.4934 6.4934 6.4934 6.4934 6.6536 6.6536 6.6536 6.6536 7.7700 7.7700 7.7700 7.7700 8.5079 8.5079 8.5079 8.5079 9.0199 9.0199 9.0199 9.0199 14.4211 14.4211 14.4211 14.4211 17.0396 17.0396 17.0396 17.0396 20.8096 20.8096 k = 0.0000 0.1397 0.3385 ( 2696 PWs) bands (ev): -11.2743 -11.2743 -11.2743 -11.2743 -10.8764 -10.8764 -10.8764 -10.8764 -10.1345 -10.1345 -10.1345 -10.1345 -9.9045 -9.9045 -9.9045 -9.9045 -9.7255 -9.7255 -9.7255 -9.7255 -8.2631 -8.2631 -8.2631 -8.2631 -6.4858 -6.4858 -6.4858 -6.4858 3.4971 3.4971 3.4971 3.4971 6.5273 6.5273 6.5273 6.5273 6.6517 6.6517 6.6517 6.6517 7.7705 7.7705 7.7705 7.7705 8.5141 8.5141 8.5141 8.5141 9.0331 9.0331 9.0331 9.0331 14.4029 14.4029 14.4029 14.4029 17.0191 17.0191 17.0191 17.0191 20.8118 20.8118 k = 0.0000 0.1297 0.3385 ( 2698 PWs) bands (ev): -11.2711 -11.2711 -11.2711 -11.2711 -10.8765 -10.8765 -10.8765 -10.8765 -10.1333 -10.1333 -10.1333 -10.1333 -9.9050 -9.9050 -9.9050 -9.9050 -9.7260 -9.7260 -9.7260 -9.7260 -8.2912 -8.2912 -8.2912 -8.2912 -6.4520 -6.4520 -6.4520 -6.4520 3.4558 3.4558 3.4558 3.4558 6.5575 6.5575 6.5575 6.5575 6.6516 6.6516 6.6516 6.6516 7.7711 7.7711 7.7711 7.7711 8.5200 8.5200 8.5200 8.5200 9.0461 9.0461 9.0461 9.0461 14.3852 14.3852 14.3852 14.3852 16.9991 16.9991 16.9991 16.9991 20.8149 20.8149 k = 0.0000 0.1198 0.3385 ( 2698 PWs) bands (ev): -11.2679 -11.2679 -11.2679 -11.2679 -10.8765 -10.8765 -10.8765 -10.8765 -10.1322 -10.1322 -10.1322 -10.1322 -9.9056 -9.9056 -9.9056 -9.9056 -9.7265 -9.7265 -9.7265 -9.7265 -8.3174 -8.3174 -8.3174 -8.3174 -6.4202 -6.4202 -6.4202 -6.4202 3.4167 3.4167 3.4167 3.4167 6.5823 6.5823 6.5823 6.5823 6.6549 6.6549 6.6549 6.6549 7.7717 7.7717 7.7717 7.7717 8.5258 8.5258 8.5258 8.5258 9.0587 9.0587 9.0587 9.0587 14.3681 14.3681 14.3681 14.3681 16.9798 16.9798 16.9798 16.9798 20.8189 20.8189 k = 0.0000 0.1098 0.3385 ( 2696 PWs) bands (ev): -11.2649 -11.2649 -11.2649 -11.2649 -10.8766 -10.8766 -10.8766 -10.8766 -10.1310 -10.1310 -10.1310 -10.1310 -9.9061 -9.9061 -9.9061 -9.9061 -9.7269 -9.7269 -9.7269 -9.7269 -8.3417 -8.3417 -8.3417 -8.3417 -6.3905 -6.3905 -6.3905 -6.3905 3.3801 3.3801 3.3801 3.3801 6.5990 6.5990 6.5990 6.5990 6.6643 6.6643 6.6643 6.6643 7.7723 7.7723 7.7723 7.7723 8.5312 8.5312 8.5312 8.5312 9.0709 9.0709 9.0709 9.0709 14.3517 14.3517 14.3517 14.3517 16.9612 16.9612 16.9612 16.9612 20.8236 20.8236 k = 0.0000 0.0998 0.3385 ( 2696 PWs) bands (ev): -11.2620 -11.2620 -11.2620 -11.2620 -10.8767 -10.8767 -10.8767 -10.8767 -10.1299 -10.1299 -10.1299 -10.1299 -9.9067 -9.9067 -9.9067 -9.9067 -9.7273 -9.7273 -9.7273 -9.7273 -8.3641 -8.3641 -8.3641 -8.3641 -6.3630 -6.3630 -6.3630 -6.3630 3.3460 3.3460 3.3460 3.3460 6.6072 6.6072 6.6072 6.6072 6.6801 6.6801 6.6801 6.6801 7.7730 7.7730 7.7730 7.7730 8.5364 8.5364 8.5364 8.5364 9.0826 9.0826 9.0826 9.0826 14.3363 14.3363 14.3363 14.3363 16.9436 16.9436 16.9436 16.9436 20.8287 20.8287 k = 0.0000 0.0898 0.3385 ( 2698 PWs) bands (ev): -11.2593 -11.2593 -11.2593 -11.2593 -10.8767 -10.8767 -10.8767 -10.8767 -10.1289 -10.1289 -10.1289 -10.1289 -9.9072 -9.9072 -9.9072 -9.9072 -9.7277 -9.7277 -9.7277 -9.7277 -8.3845 -8.3845 -8.3845 -8.3845 -6.3378 -6.3378 -6.3378 -6.3378 3.3147 3.3147 3.3147 3.3147 6.6099 6.6099 6.6099 6.6099 6.6992 6.6992 6.6992 6.6992 7.7737 7.7737 7.7737 7.7737 8.5412 8.5412 8.5412 8.5412 9.0935 9.0935 9.0935 9.0935 14.3218 14.3218 14.3218 14.3218 16.9272 16.9272 16.9272 16.9272 20.8341 20.8341 k = 0.0000 0.0798 0.3385 ( 2698 PWs) bands (ev): -11.2568 -11.2568 -11.2568 -11.2568 -10.8768 -10.8768 -10.8768 -10.8768 -10.1279 -10.1279 -10.1279 -10.1279 -9.9077 -9.9077 -9.9077 -9.9077 -9.7281 -9.7281 -9.7281 -9.7281 -8.4030 -8.4030 -8.4030 -8.4030 -6.3150 -6.3150 -6.3150 -6.3150 3.2863 3.2863 3.2863 3.2863 6.6102 6.6102 6.6102 6.6102 6.7185 6.7185 6.7185 6.7185 7.7743 7.7743 7.7743 7.7743 8.5455 8.5455 8.5455 8.5455 9.1037 9.1037 9.1037 9.1037 14.3086 14.3086 14.3086 14.3086 16.9121 16.9121 16.9121 16.9121 20.8396 20.8396 k = 0.0000 0.0699 0.3385 ( 2694 PWs) bands (ev): -11.2545 -11.2545 -11.2545 -11.2545 -10.8769 -10.8769 -10.8769 -10.8769 -10.1270 -10.1270 -10.1270 -10.1270 -9.9082 -9.9082 -9.9082 -9.9082 -9.7284 -9.7284 -9.7284 -9.7284 -8.4193 -8.4193 -8.4193 -8.4193 -6.2947 -6.2947 -6.2947 -6.2947 3.2610 3.2610 3.2610 3.2610 6.6095 6.6095 6.6095 6.6095 6.7366 6.7366 6.7366 6.7366 7.7749 7.7749 7.7749 7.7749 8.5495 8.5495 8.5495 8.5495 9.1129 9.1129 9.1129 9.1129 14.2965 14.2965 14.2965 14.2965 16.8984 16.8984 16.8984 16.8984 20.8450 20.8450 k = 0.0000 0.0599 0.3385 ( 2694 PWs) bands (ev): -11.2525 -11.2525 -11.2525 -11.2525 -10.8769 -10.8769 -10.8769 -10.8769 -10.1262 -10.1262 -10.1262 -10.1262 -9.9086 -9.9086 -9.9086 -9.9086 -9.7287 -9.7287 -9.7287 -9.7287 -8.4336 -8.4336 -8.4336 -8.4336 -6.2769 -6.2769 -6.2769 -6.2769 3.2387 3.2387 3.2387 3.2387 6.6084 6.6084 6.6084 6.6084 6.7528 6.7528 6.7528 6.7528 7.7755 7.7755 7.7755 7.7755 8.5530 8.5530 8.5530 8.5530 9.1211 9.1211 9.1211 9.1211 14.2859 14.2859 14.2859 14.2859 16.8863 16.8863 16.8863 16.8863 20.8501 20.8501 k = 0.0000 0.0499 0.3385 ( 2694 PWs) bands (ev): -11.2507 -11.2507 -11.2507 -11.2507 -10.8769 -10.8769 -10.8769 -10.8769 -10.1255 -10.1255 -10.1255 -10.1255 -9.9090 -9.9090 -9.9090 -9.9090 -9.7290 -9.7290 -9.7290 -9.7290 -8.4457 -8.4457 -8.4457 -8.4457 -6.2617 -6.2617 -6.2617 -6.2617 3.2198 3.2198 3.2198 3.2198 6.6072 6.6072 6.6072 6.6072 6.7667 6.7667 6.7667 6.7667 7.7761 7.7761 7.7761 7.7761 8.5560 8.5560 8.5560 8.5560 9.1283 9.1283 9.1283 9.1283 14.2767 14.2767 14.2767 14.2767 16.8759 16.8759 16.8759 16.8759 20.8548 20.8548 k = 0.0000 0.0399 0.3385 ( 2696 PWs) bands (ev): -11.2493 -11.2493 -11.2493 -11.2493 -10.8770 -10.8770 -10.8770 -10.8770 -10.1249 -10.1249 -10.1249 -10.1249 -9.9093 -9.9093 -9.9093 -9.9093 -9.7292 -9.7292 -9.7292 -9.7292 -8.4557 -8.4557 -8.4557 -8.4557 -6.2492 -6.2492 -6.2492 -6.2492 3.2041 3.2041 3.2041 3.2041 6.6061 6.6061 6.6061 6.6061 6.7783 6.7783 6.7783 6.7783 7.7765 7.7765 7.7765 7.7765 8.5585 8.5585 8.5585 8.5585 9.1342 9.1342 9.1342 9.1342 14.2691 14.2691 14.2691 14.2691 16.8672 16.8672 16.8672 16.8672 20.8588 20.8588 k = 0.0000 0.0299 0.3385 ( 2700 PWs) bands (ev): -11.2482 -11.2482 -11.2482 -11.2482 -10.8770 -10.8770 -10.8770 -10.8770 -10.1244 -10.1244 -10.1244 -10.1244 -9.9095 -9.9095 -9.9095 -9.9095 -9.7294 -9.7294 -9.7294 -9.7294 -8.4635 -8.4635 -8.4635 -8.4635 -6.2395 -6.2395 -6.2395 -6.2395 3.1919 3.1919 3.1919 3.1919 6.6051 6.6051 6.6051 6.6051 6.7874 6.7874 6.7874 6.7874 7.7769 7.7769 7.7769 7.7769 8.5604 8.5604 8.5604 8.5604 9.1389 9.1389 9.1389 9.1389 14.2631 14.2631 14.2631 14.2631 16.8604 16.8604 16.8604 16.8604 20.8621 20.8621 k = 0.0000 0.0200 0.3385 ( 2700 PWs) bands (ev): -11.2473 -11.2473 -11.2473 -11.2473 -10.8770 -10.8770 -10.8770 -10.8770 -10.1240 -10.1240 -10.1240 -10.1240 -9.9097 -9.9097 -9.9097 -9.9097 -9.7295 -9.7295 -9.7295 -9.7295 -8.4690 -8.4690 -8.4690 -8.4690 -6.2325 -6.2325 -6.2325 -6.2325 3.1831 3.1831 3.1831 3.1831 6.6044 6.6044 6.6044 6.6044 6.7939 6.7939 6.7939 6.7939 7.7771 7.7771 7.7771 7.7771 8.5618 8.5618 8.5618 8.5618 9.1423 9.1423 9.1423 9.1423 14.2588 14.2588 14.2588 14.2588 16.8555 16.8555 16.8555 16.8555 20.8645 20.8645 k = 0.0000 0.0100 0.3385 ( 2700 PWs) bands (ev): -11.2468 -11.2468 -11.2468 -11.2468 -10.8770 -10.8770 -10.8770 -10.8770 -10.1238 -10.1238 -10.1238 -10.1238 -9.9098 -9.9098 -9.9098 -9.9098 -9.7295 -9.7295 -9.7295 -9.7295 -8.4724 -8.4724 -8.4724 -8.4724 -6.2282 -6.2282 -6.2282 -6.2282 3.1778 3.1778 3.1778 3.1778 6.6040 6.6040 6.6040 6.6040 6.7978 6.7978 6.7978 6.7978 7.7773 7.7773 7.7773 7.7773 8.5626 8.5626 8.5626 8.5626 9.1444 9.1444 9.1444 9.1444 14.2562 14.2562 14.2562 14.2562 16.8525 16.8525 16.8525 16.8525 20.8660 20.8660 k = 0.0000 0.0000 0.3385 ( 2696 PWs) bands (ev): -11.2467 -11.2467 -11.2467 -11.2467 -10.8771 -10.8771 -10.8771 -10.8771 -10.1238 -10.1238 -10.1238 -10.1238 -9.9099 -9.9099 -9.9099 -9.9099 -9.7296 -9.7296 -9.7296 -9.7296 -8.4735 -8.4735 -8.4735 -8.4735 -6.2268 -6.2268 -6.2268 -6.2268 3.1760 3.1760 3.1760 3.1760 6.6039 6.6039 6.6039 6.6039 6.7991 6.7991 6.7991 6.7991 7.7774 7.7774 7.7774 7.7774 8.5629 8.5629 8.5629 8.5629 9.1450 9.1450 9.1450 9.1450 14.2553 14.2553 14.2553 14.2553 16.8515 16.8515 16.8515 16.8515 20.8665 20.8665 k = 0.0000 0.3393-0.0000 ( 2696 PWs) bands (ev): -11.2470 -11.2470 -11.2470 -11.2470 -10.8771 -10.8771 -10.8771 -10.8771 -10.1239 -10.1239 -10.1239 -10.1239 -9.9100 -9.9100 -9.9100 -9.9100 -9.7296 -9.7296 -9.7296 -9.7296 -8.4697 -8.4697 -8.4697 -8.4697 -6.2308 -6.2308 -6.2308 -6.2308 3.1744 3.1744 3.1744 3.1744 6.6062 6.6062 6.6062 6.6062 6.7991 6.7991 6.7991 6.7991 7.7860 7.7860 7.7860 7.7860 8.5599 8.5599 8.5599 8.5599 9.1378 9.1378 9.1378 9.1378 14.2546 14.2546 14.2546 14.2546 16.8456 16.8456 16.8456 16.8456 20.8746 20.8746 k = 0.0000 0.3393 0.0100 ( 2700 PWs) bands (ev): -11.2471 -11.2471 -11.2471 -11.2471 -10.8771 -10.8771 -10.8771 -10.8771 -10.1240 -10.1240 -10.1240 -10.1240 -9.9099 -9.9099 -9.9099 -9.9099 -9.7296 -9.7296 -9.7296 -9.7296 -8.4685 -8.4685 -8.4685 -8.4685 -6.2322 -6.2322 -6.2322 -6.2322 3.1761 3.1761 3.1761 3.1761 6.6063 6.6063 6.6063 6.6063 6.7978 6.7978 6.7978 6.7978 7.7859 7.7859 7.7859 7.7859 8.5596 8.5596 8.5596 8.5596 9.1371 9.1371 9.1371 9.1371 14.2555 14.2555 14.2555 14.2555 16.8466 16.8466 16.8466 16.8466 20.8740 20.8740 k = 0.0000 0.3393 0.0199 ( 2700 PWs) bands (ev): -11.2476 -11.2476 -11.2476 -11.2476 -10.8771 -10.8771 -10.8771 -10.8771 -10.1242 -10.1242 -10.1242 -10.1242 -9.9098 -9.9098 -9.9098 -9.9098 -9.7295 -9.7295 -9.7295 -9.7295 -8.4652 -8.4652 -8.4652 -8.4652 -6.2364 -6.2364 -6.2364 -6.2364 3.1814 3.1814 3.1814 3.1814 6.6068 6.6068 6.6068 6.6068 6.7938 6.7938 6.7938 6.7938 7.7857 7.7857 7.7857 7.7857 8.5588 8.5588 8.5588 8.5588 9.1351 9.1351 9.1351 9.1351 14.2581 14.2581 14.2581 14.2581 16.8496 16.8496 16.8496 16.8496 20.8725 20.8725 k = 0.0000 0.3393 0.0299 ( 2696 PWs) bands (ev): -11.2485 -11.2485 -11.2485 -11.2485 -10.8771 -10.8771 -10.8771 -10.8771 -10.1245 -10.1245 -10.1245 -10.1245 -9.9096 -9.9096 -9.9096 -9.9096 -9.7294 -9.7294 -9.7294 -9.7294 -8.4597 -8.4597 -8.4597 -8.4597 -6.2434 -6.2434 -6.2434 -6.2434 3.1902 3.1902 3.1902 3.1902 6.6074 6.6074 6.6074 6.6074 6.7874 6.7874 6.7874 6.7874 7.7854 7.7854 7.7854 7.7854 8.5574 8.5574 8.5574 8.5574 9.1318 9.1318 9.1318 9.1318 14.2625 14.2625 14.2625 14.2625 16.8545 16.8545 16.8545 16.8545 20.8701 20.8701 k = 0.0000 0.3393 0.0398 ( 2692 PWs) bands (ev): -11.2496 -11.2496 -11.2496 -11.2496 -10.8771 -10.8771 -10.8771 -10.8771 -10.1250 -10.1250 -10.1250 -10.1250 -9.9094 -9.9094 -9.9094 -9.9094 -9.7292 -9.7292 -9.7292 -9.7292 -8.4519 -8.4519 -8.4519 -8.4519 -6.2531 -6.2531 -6.2531 -6.2531 3.2025 3.2025 3.2025 3.2025 6.6083 6.6083 6.6083 6.6083 6.7783 6.7783 6.7783 6.7783 7.7849 7.7849 7.7849 7.7849 8.5555 8.5555 8.5555 8.5555 9.1271 9.1271 9.1271 9.1271 14.2685 14.2685 14.2685 14.2685 16.8614 16.8614 16.8614 16.8614 20.8668 20.8668 k = 0.0000 0.3393 0.0498 ( 2688 PWs) bands (ev): -11.2510 -11.2510 -11.2510 -11.2510 -10.8770 -10.8770 -10.8770 -10.8770 -10.1256 -10.1256 -10.1256 -10.1256 -9.9091 -9.9091 -9.9091 -9.9091 -9.7290 -9.7290 -9.7290 -9.7290 -8.4420 -8.4420 -8.4420 -8.4420 -6.2656 -6.2656 -6.2656 -6.2656 3.2181 3.2181 3.2181 3.2181 6.6094 6.6094 6.6094 6.6094 6.7668 6.7668 6.7668 6.7668 7.7843 7.7843 7.7843 7.7843 8.5531 8.5531 8.5531 8.5531 9.1212 9.1212 9.1212 9.1212 14.2762 14.2762 14.2762 14.2762 16.8701 16.8701 16.8701 16.8701 20.8627 20.8627 k = 0.0000 0.3393 0.0597 ( 2692 PWs) bands (ev): -11.2528 -11.2528 -11.2528 -11.2528 -10.8770 -10.8770 -10.8770 -10.8770 -10.1263 -10.1263 -10.1263 -10.1263 -9.9087 -9.9087 -9.9087 -9.9087 -9.7288 -9.7288 -9.7288 -9.7288 -8.4299 -8.4299 -8.4299 -8.4299 -6.2807 -6.2807 -6.2807 -6.2807 3.2371 3.2371 3.2371 3.2371 6.6105 6.6105 6.6105 6.6105 6.7529 6.7529 6.7529 6.7529 7.7836 7.7836 7.7836 7.7836 8.5502 8.5502 8.5502 8.5502 9.1142 9.1142 9.1142 9.1142 14.2854 14.2854 14.2854 14.2854 16.8805 16.8805 16.8805 16.8805 20.8580 20.8580 k = 0.0000 0.3393 0.0697 ( 2694 PWs) bands (ev): -11.2548 -11.2548 -11.2548 -11.2548 -10.8769 -10.8769 -10.8769 -10.8769 -10.1271 -10.1271 -10.1271 -10.1271 -9.9083 -9.9083 -9.9083 -9.9083 -9.7285 -9.7285 -9.7285 -9.7285 -8.4157 -8.4157 -8.4157 -8.4157 -6.2984 -6.2984 -6.2984 -6.2984 3.2594 3.2594 3.2594 3.2594 6.6115 6.6115 6.6115 6.6115 6.7368 6.7368 6.7368 6.7368 7.7829 7.7829 7.7829 7.7829 8.5468 8.5468 8.5468 8.5468 9.1061 9.1061 9.1061 9.1061 14.2961 14.2961 14.2961 14.2961 16.8927 16.8927 16.8927 16.8927 20.8528 20.8528 k = 0.0000 0.3393 0.0796 ( 2694 PWs) bands (ev): -11.2570 -11.2570 -11.2570 -11.2570 -10.8769 -10.8769 -10.8769 -10.8769 -10.1280 -10.1280 -10.1280 -10.1280 -9.9078 -9.9078 -9.9078 -9.9078 -9.7281 -9.7281 -9.7281 -9.7281 -8.3994 -8.3994 -8.3994 -8.3994 -6.3187 -6.3187 -6.3187 -6.3187 3.2848 3.2848 3.2848 3.2848 6.6122 6.6122 6.6122 6.6122 6.7188 6.7188 6.7188 6.7188 7.7820 7.7820 7.7820 7.7820 8.5429 8.5429 8.5429 8.5429 9.0970 9.0970 9.0970 9.0970 14.3081 14.3081 14.3081 14.3081 16.9065 16.9065 16.9065 16.9065 20.8472 20.8472 k = 0.0000 0.3393 0.0896 ( 2694 PWs) bands (ev): -11.2595 -11.2595 -11.2595 -11.2595 -10.8768 -10.8768 -10.8768 -10.8768 -10.1290 -10.1290 -10.1290 -10.1290 -9.9073 -9.9073 -9.9073 -9.9073 -9.7278 -9.7278 -9.7278 -9.7278 -8.3811 -8.3811 -8.3811 -8.3811 -6.3414 -6.3414 -6.3414 -6.3414 3.3132 3.3132 3.3132 3.3132 6.6117 6.6117 6.6117 6.6117 6.6996 6.6996 6.6996 6.6996 7.7811 7.7811 7.7811 7.7811 8.5386 8.5386 8.5386 8.5386 9.0870 9.0870 9.0870 9.0870 14.3215 14.3215 14.3215 14.3215 16.9217 16.9217 16.9217 16.9217 20.8416 20.8416 k = 0.0000 0.3393 0.0995 ( 2692 PWs) bands (ev): -11.2622 -11.2622 -11.2622 -11.2622 -10.8767 -10.8767 -10.8767 -10.8767 -10.1300 -10.1300 -10.1300 -10.1300 -9.9068 -9.9068 -9.9068 -9.9068 -9.7274 -9.7274 -9.7274 -9.7274 -8.3607 -8.3607 -8.3607 -8.3607 -6.3665 -6.3665 -6.3665 -6.3665 3.3445 3.3445 3.3445 3.3445 6.6087 6.6087 6.6087 6.6087 6.6808 6.6808 6.6808 6.6808 7.7802 7.7802 7.7802 7.7802 8.5339 8.5339 8.5339 8.5339 9.0762 9.0762 9.0762 9.0762 14.3360 14.3360 14.3360 14.3360 16.9382 16.9382 16.9382 16.9382 20.8360 20.8360 k = 0.0000 0.3393 0.1095 ( 2696 PWs) bands (ev): -11.2651 -11.2651 -11.2651 -11.2651 -10.8767 -10.8767 -10.8767 -10.8767 -10.1311 -10.1311 -10.1311 -10.1311 -9.9062 -9.9062 -9.9062 -9.9062 -9.7269 -9.7269 -9.7269 -9.7269 -8.3384 -8.3384 -8.3384 -8.3384 -6.3939 -6.3939 -6.3939 -6.3939 3.3786 3.3786 3.3786 3.3786 6.6002 6.6002 6.6002 6.6002 6.6653 6.6653 6.6653 6.6653 7.7793 7.7793 7.7793 7.7793 8.5289 8.5289 8.5289 8.5289 9.0648 9.0648 9.0648 9.0648 14.3515 14.3515 14.3515 14.3515 16.9559 16.9559 16.9559 16.9559 20.8307 20.8307 k = 0.0000 0.3393 0.1195 ( 2696 PWs) bands (ev): -11.2681 -11.2681 -11.2681 -11.2681 -10.8766 -10.8766 -10.8766 -10.8766 -10.1323 -10.1323 -10.1323 -10.1323 -9.9057 -9.9057 -9.9057 -9.9057 -9.7265 -9.7265 -9.7265 -9.7265 -8.3141 -8.3141 -8.3141 -8.3141 -6.4235 -6.4235 -6.4235 -6.4235 3.4153 3.4153 3.4153 3.4153 6.5832 6.5832 6.5832 6.5832 6.6562 6.6562 6.6562 6.6562 7.7783 7.7783 7.7783 7.7783 8.5235 8.5235 8.5235 8.5235 9.0528 9.0528 9.0528 9.0528 14.3679 14.3679 14.3679 14.3679 16.9746 16.9746 16.9746 16.9746 20.8258 20.8258 k = 0.0000 0.3393 0.1294 ( 2696 PWs) bands (ev): -11.2713 -11.2713 -11.2713 -11.2713 -10.8765 -10.8765 -10.8765 -10.8765 -10.1334 -10.1334 -10.1334 -10.1334 -9.9051 -9.9051 -9.9051 -9.9051 -9.7260 -9.7260 -9.7260 -9.7260 -8.2881 -8.2881 -8.2881 -8.2881 -6.4552 -6.4552 -6.4552 -6.4552 3.4544 3.4544 3.4544 3.4544 6.5582 6.5582 6.5582 6.5582 6.6530 6.6530 6.6530 6.6530 7.7774 7.7774 7.7774 7.7774 8.5179 8.5179 8.5179 8.5179 9.0404 9.0404 9.0404 9.0404 14.3850 14.3850 14.3850 14.3850 16.9941 16.9941 16.9941 16.9941 20.8216 20.8216 k = 0.0000 0.3393 0.1394 ( 2696 PWs) bands (ev): -11.2745 -11.2745 -11.2745 -11.2745 -10.8765 -10.8765 -10.8765 -10.8765 -10.1346 -10.1346 -10.1346 -10.1346 -9.9045 -9.9045 -9.9045 -9.9045 -9.7256 -9.7256 -9.7256 -9.7256 -8.2602 -8.2602 -8.2602 -8.2602 -6.4889 -6.4889 -6.4889 -6.4889 3.4957 3.4957 3.4957 3.4957 6.5279 6.5279 6.5279 6.5279 6.6532 6.6532 6.6532 6.6532 7.7764 7.7764 7.7764 7.7764 8.5121 8.5121 8.5121 8.5121 9.0277 9.0277 9.0277 9.0277 14.4028 14.4028 14.4028 14.4028 17.0143 17.0143 17.0143 17.0143 20.8181 20.8181 k = 0.0000 0.3393 0.1493 ( 2692 PWs) bands (ev): -11.2778 -11.2778 -11.2778 -11.2778 -10.8764 -10.8764 -10.8764 -10.8764 -10.1357 -10.1357 -10.1357 -10.1357 -9.9040 -9.9040 -9.9040 -9.9040 -9.7251 -9.7251 -9.7251 -9.7251 -8.2305 -8.2305 -8.2305 -8.2305 -6.5244 -6.5244 -6.5244 -6.5244 3.5391 3.5391 3.5391 3.5391 6.4940 6.4940 6.4940 6.4940 6.6550 6.6550 6.6550 6.6550 7.7755 7.7755 7.7755 7.7755 8.5060 8.5060 8.5060 8.5060 9.0148 9.0148 9.0148 9.0148 14.4210 14.4210 14.4210 14.4210 17.0349 17.0349 17.0349 17.0349 20.8156 20.8156 k = 0.0000 0.3393 0.1593 ( 2688 PWs) bands (ev): -11.2812 -11.2812 -11.2812 -11.2812 -10.8763 -10.8763 -10.8763 -10.8763 -10.1368 -10.1368 -10.1368 -10.1368 -9.9034 -9.9034 -9.9034 -9.9034 -9.7246 -9.7246 -9.7246 -9.7246 -8.1992 -8.1992 -8.1992 -8.1992 -6.5617 -6.5617 -6.5617 -6.5617 3.5843 3.5843 3.5843 3.5843 6.4575 6.4575 6.4575 6.4575 6.6578 6.6578 6.6578 6.6578 7.7747 7.7747 7.7747 7.7747 8.4999 8.4999 8.4999 8.4999 9.0018 9.0018 9.0018 9.0018 14.4395 14.4395 14.4395 14.4395 17.0558 17.0558 17.0558 17.0558 20.8142 20.8142 k = 0.0000 0.3393 0.1692 ( 2688 PWs) bands (ev): -11.2845 -11.2845 -11.2845 -11.2845 -10.8763 -10.8763 -10.8763 -10.8763 -10.1380 -10.1380 -10.1380 -10.1380 -9.9029 -9.9029 -9.9029 -9.9029 -9.7241 -9.7241 -9.7241 -9.7241 -8.1663 -8.1663 -8.1663 -8.1663 -6.6007 -6.6007 -6.6007 -6.6007 3.6310 3.6310 3.6310 3.6310 6.4189 6.4189 6.4189 6.4189 6.6611 6.6611 6.6611 6.6611 7.7739 7.7739 7.7739 7.7739 8.4937 8.4937 8.4937 8.4937 8.9888 8.9888 8.9888 8.9888 14.4582 14.4582 14.4582 14.4582 17.0768 17.0768 17.0768 17.0768 20.8139 20.8139 k = 0.0000 0.3393 0.1792 ( 2690 PWs) bands (ev): -11.2878 -11.2878 -11.2878 -11.2878 -10.8762 -10.8762 -10.8762 -10.8762 -10.1391 -10.1391 -10.1391 -10.1391 -9.9024 -9.9024 -9.9024 -9.9024 -9.7236 -9.7236 -9.7236 -9.7236 -8.1318 -8.1318 -8.1318 -8.1318 -6.6412 -6.6412 -6.6412 -6.6412 3.6791 3.6791 3.6791 3.6791 6.3785 6.3785 6.3785 6.3785 6.6646 6.6646 6.6646 6.6646 7.7732 7.7732 7.7732 7.7732 8.4874 8.4874 8.4874 8.4874 8.9760 8.9760 8.9760 8.9760 14.4769 14.4769 14.4769 14.4769 17.0976 17.0976 17.0976 17.0976 20.8148 20.8148 k = 0.0000 0.3393 0.1891 ( 2690 PWs) bands (ev): -11.2911 -11.2911 -11.2911 -11.2911 -10.8761 -10.8761 -10.8761 -10.8761 -10.1401 -10.1401 -10.1401 -10.1401 -9.9019 -9.9019 -9.9019 -9.9019 -9.7231 -9.7231 -9.7231 -9.7231 -8.0958 -8.0958 -8.0958 -8.0958 -6.6831 -6.6831 -6.6831 -6.6831 3.7281 3.7281 3.7281 3.7281 6.3368 6.3368 6.3368 6.3368 6.6684 6.6684 6.6684 6.6684 7.7726 7.7726 7.7726 7.7726 8.4812 8.4812 8.4812 8.4812 8.9635 8.9635 8.9635 8.9635 14.4954 14.4954 14.4954 14.4954 17.1181 17.1181 17.1181 17.1181 20.8170 20.8170 k = 0.0000 0.3393 0.1991 ( 2700 PWs) bands (ev): -11.2943 -11.2943 -11.2943 -11.2943 -10.8761 -10.8761 -10.8761 -10.8761 -10.1411 -10.1411 -10.1411 -10.1411 -9.9015 -9.9015 -9.9015 -9.9015 -9.7227 -9.7227 -9.7227 -9.7227 -8.0585 -8.0585 -8.0585 -8.0585 -6.7262 -6.7262 -6.7262 -6.7262 3.7778 3.7778 3.7778 3.7778 6.2939 6.2939 6.2939 6.2939 6.6722 6.6722 6.6722 6.6722 7.7720 7.7720 7.7720 7.7720 8.4750 8.4750 8.4750 8.4750 8.9513 8.9513 8.9513 8.9513 14.5137 14.5137 14.5137 14.5137 17.1381 17.1381 17.1381 17.1381 20.8204 20.8204 k = 0.0000 0.3393 0.2090 ( 2700 PWs) bands (ev): -11.2975 -11.2975 -11.2975 -11.2975 -10.8760 -10.8760 -10.8760 -10.8760 -10.1421 -10.1421 -10.1421 -10.1421 -9.9011 -9.9011 -9.9011 -9.9011 -9.7222 -9.7222 -9.7222 -9.7222 -8.0198 -8.0198 -8.0198 -8.0198 -6.7706 -6.7706 -6.7706 -6.7706 3.8279 3.8279 3.8279 3.8279 6.2504 6.2504 6.2504 6.2504 6.6760 6.6760 6.6760 6.6760 7.7714 7.7714 7.7714 7.7714 8.4690 8.4690 8.4690 8.4690 8.9395 8.9395 8.9395 8.9395 14.5314 14.5314 14.5314 14.5314 17.1575 17.1575 17.1575 17.1575 20.8251 20.8251 k = 0.0000 0.3393 0.2190 ( 2700 PWs) bands (ev): -11.3004 -11.3004 -11.3004 -11.3004 -10.8760 -10.8760 -10.8760 -10.8760 -10.1430 -10.1430 -10.1430 -10.1430 -9.9007 -9.9007 -9.9007 -9.9007 -9.7218 -9.7218 -9.7218 -9.7218 -7.9799 -7.9799 -7.9799 -7.9799 -6.8159 -6.8159 -6.8159 -6.8159 3.8778 3.8778 3.8778 3.8778 6.2065 6.2065 6.2065 6.2065 6.6798 6.6798 6.6798 6.6798 7.7710 7.7710 7.7710 7.7710 8.4632 8.4632 8.4632 8.4632 8.9283 8.9283 8.9283 8.9283 14.5486 14.5486 14.5486 14.5486 17.1759 17.1759 17.1759 17.1759 20.8307 20.8307 k = 0.0000 0.3393 0.2290 ( 2704 PWs) bands (ev): -11.3033 -11.3033 -11.3033 -11.3033 -10.8759 -10.8759 -10.8759 -10.8759 -10.1438 -10.1438 -10.1438 -10.1438 -9.9003 -9.9003 -9.9003 -9.9003 -9.7214 -9.7214 -9.7214 -9.7214 -7.9388 -7.9388 -7.9388 -7.9388 -6.8622 -6.8622 -6.8622 -6.8622 3.9274 3.9274 3.9274 3.9274 6.1627 6.1627 6.1627 6.1627 6.6834 6.6834 6.6834 6.6834 7.7706 7.7706 7.7706 7.7706 8.4576 8.4576 8.4576 8.4576 8.9177 8.9177 8.9177 8.9177 14.5649 14.5649 14.5649 14.5649 17.1934 17.1934 17.1934 17.1934 20.8373 20.8373 k = 0.0000 0.3393 0.2389 ( 2706 PWs) bands (ev): -11.3059 -11.3059 -11.3059 -11.3059 -10.8759 -10.8759 -10.8759 -10.8759 -10.1446 -10.1446 -10.1446 -10.1446 -9.9000 -9.9000 -9.9000 -9.9000 -9.7210 -9.7210 -9.7210 -9.7210 -7.8967 -7.8967 -7.8967 -7.8967 -6.9092 -6.9092 -6.9092 -6.9092 3.9759 3.9759 3.9759 3.9759 6.1194 6.1194 6.1194 6.1194 6.6869 6.6869 6.6869 6.6869 7.7702 7.7702 7.7702 7.7702 8.4523 8.4523 8.4523 8.4523 8.9077 8.9077 8.9077 8.9077 14.5805 14.5805 14.5805 14.5805 17.2097 17.2097 17.2097 17.2097 20.8446 20.8446 k = 0.0000 0.3393 0.2489 ( 2700 PWs) bands (ev): -11.3084 -11.3084 -11.3084 -11.3084 -10.8758 -10.8758 -10.8758 -10.8758 -10.1453 -10.1453 -10.1453 -10.1453 -9.8997 -9.8997 -9.8997 -9.8997 -9.7206 -9.7206 -9.7206 -9.7206 -7.8536 -7.8536 -7.8536 -7.8536 -6.9568 -6.9568 -6.9568 -6.9568 4.0230 4.0230 4.0230 4.0230 6.0771 6.0771 6.0771 6.0771 6.6902 6.6902 6.6902 6.6902 7.7700 7.7700 7.7700 7.7700 8.4473 8.4473 8.4473 8.4473 8.8985 8.8985 8.8985 8.8985 14.5949 14.5949 14.5949 14.5949 17.2248 17.2248 17.2248 17.2248 20.8524 20.8524 k = 0.0000 0.3393 0.2588 ( 2700 PWs) bands (ev): -11.3107 -11.3107 -11.3107 -11.3107 -10.8758 -10.8758 -10.8758 -10.8758 -10.1460 -10.1460 -10.1460 -10.1460 -9.8994 -9.8994 -9.8994 -9.8994 -9.7203 -9.7203 -9.7203 -9.7203 -7.8096 -7.8096 -7.8096 -7.8096 -7.0049 -7.0049 -7.0049 -7.0049 4.0680 4.0680 4.0680 4.0680 6.0364 6.0364 6.0364 6.0364 6.6933 6.6933 6.6933 6.6933 7.7697 7.7697 7.7697 7.7697 8.4427 8.4427 8.4427 8.4427 8.8901 8.8901 8.8901 8.8901 14.6083 14.6083 14.6083 14.6083 17.2385 17.2385 17.2385 17.2385 20.8604 20.8604 k = 0.0000 0.3393 0.2688 ( 2712 PWs) bands (ev): -11.3127 -11.3127 -11.3127 -11.3127 -10.8758 -10.8758 -10.8758 -10.8758 -10.1465 -10.1465 -10.1465 -10.1465 -9.8992 -9.8992 -9.8992 -9.8992 -9.7200 -9.7200 -9.7200 -9.7200 -7.7650 -7.7650 -7.7650 -7.7650 -7.0532 -7.0532 -7.0532 -7.0532 4.1103 4.1103 4.1103 4.1103 5.9980 5.9980 5.9980 5.9980 6.6961 6.6961 6.6961 6.6961 7.7696 7.7696 7.7696 7.7696 8.4385 8.4385 8.4385 8.4385 8.8826 8.8826 8.8826 8.8826 14.6203 14.6203 14.6203 14.6203 17.2508 17.2508 17.2508 17.2508 20.8684 20.8684 k = 0.0000 0.3393 0.2787 ( 2712 PWs) bands (ev): -11.3145 -11.3145 -11.3145 -11.3145 -10.8758 -10.8758 -10.8758 -10.8758 -10.1470 -10.1470 -10.1470 -10.1470 -9.8989 -9.8989 -9.8989 -9.8989 -9.7197 -9.7197 -9.7197 -9.7197 -7.7199 -7.7199 -7.7199 -7.7199 -7.1016 -7.1016 -7.1016 -7.1016 4.1491 4.1491 4.1491 4.1491 5.9625 5.9625 5.9625 5.9625 6.6985 6.6985 6.6985 6.6985 7.7694 7.7694 7.7694 7.7694 8.4349 8.4349 8.4349 8.4349 8.8760 8.8760 8.8760 8.8760 14.6310 14.6310 14.6310 14.6310 17.2615 17.2615 17.2615 17.2615 20.8760 20.8760 k = 0.0000 0.3393 0.2887 ( 2704 PWs) bands (ev): -11.3161 -11.3161 -11.3161 -11.3161 -10.8757 -10.8757 -10.8757 -10.8757 -10.1474 -10.1474 -10.1474 -10.1474 -9.8988 -9.8988 -9.8988 -9.8988 -9.7195 -9.7195 -9.7195 -9.7195 -7.6747 -7.6747 -7.6747 -7.6747 -7.1497 -7.1497 -7.1497 -7.1497 4.1838 4.1838 4.1838 4.1838 5.9307 5.9307 5.9307 5.9307 6.7007 6.7007 6.7007 6.7007 7.7693 7.7693 7.7693 7.7693 8.4317 8.4317 8.4317 8.4317 8.8703 8.8703 8.8703 8.8703 14.6402 14.6402 14.6402 14.6402 17.2707 17.2707 17.2707 17.2707 20.8831 20.8831 k = 0.0000 0.3393 0.2986 ( 2696 PWs) bands (ev): -11.3173 -11.3173 -11.3173 -11.3173 -10.8757 -10.8757 -10.8757 -10.8757 -10.1478 -10.1478 -10.1478 -10.1478 -9.8986 -9.8986 -9.8986 -9.8986 -9.7193 -9.7193 -9.7193 -9.7193 -7.6296 -7.6296 -7.6296 -7.6296 -7.1971 -7.1971 -7.1971 -7.1971 4.2136 4.2136 4.2136 4.2136 5.9032 5.9032 5.9032 5.9032 6.7025 6.7025 6.7025 6.7025 7.7692 7.7692 7.7692 7.7692 8.4290 8.4290 8.4290 8.4290 8.8656 8.8656 8.8656 8.8656 14.6479 14.6479 14.6479 14.6479 17.2783 17.2783 17.2783 17.2783 20.8893 20.8893 k = 0.0000 0.3393 0.3086 ( 2686 PWs) bands (ev): -11.3183 -11.3183 -11.3183 -11.3183 -10.8757 -10.8757 -10.8757 -10.8757 -10.1481 -10.1481 -10.1481 -10.1481 -9.8985 -9.8985 -9.8985 -9.8985 -9.7192 -9.7192 -9.7192 -9.7192 -7.5858 -7.5858 -7.5858 -7.5858 -7.2428 -7.2428 -7.2428 -7.2428 4.2377 4.2377 4.2377 4.2377 5.8809 5.8809 5.8809 5.8809 6.7039 6.7039 6.7039 6.7039 7.7692 7.7692 7.7692 7.7692 8.4270 8.4270 8.4270 8.4270 8.8619 8.8619 8.8619 8.8619 14.6539 14.6539 14.6539 14.6539 17.2842 17.2842 17.2842 17.2842 20.8944 20.8944 k = 0.0000 0.3393 0.3185 ( 2690 PWs) bands (ev): -11.3191 -11.3191 -11.3191 -11.3191 -10.8757 -10.8757 -10.8757 -10.8757 -10.1483 -10.1483 -10.1483 -10.1483 -9.8984 -9.8984 -9.8984 -9.8984 -9.7191 -9.7191 -9.7191 -9.7191 -7.5450 -7.5450 -7.5450 -7.5450 -7.2849 -7.2849 -7.2849 -7.2849 4.2555 4.2555 4.2555 4.2555 5.8645 5.8645 5.8645 5.8645 6.7049 6.7049 6.7049 6.7049 7.7691 7.7691 7.7691 7.7691 8.4254 8.4254 8.4254 8.4254 8.8593 8.8593 8.8593 8.8593 14.6583 14.6583 14.6583 14.6583 17.2884 17.2884 17.2884 17.2884 20.8982 20.8982 k = 0.0000 0.3393 0.3285 ( 2686 PWs) bands (ev): -11.3195 -11.3195 -11.3195 -11.3195 -10.8757 -10.8757 -10.8757 -10.8757 -10.1484 -10.1484 -10.1484 -10.1484 -9.8984 -9.8984 -9.8984 -9.8984 -9.7190 -9.7190 -9.7190 -9.7190 -7.5122 -7.5122 -7.5122 -7.5122 -7.3185 -7.3185 -7.3185 -7.3185 4.2664 4.2664 4.2664 4.2664 5.8544 5.8544 5.8544 5.8544 6.7055 6.7055 6.7055 6.7055 7.7691 7.7691 7.7691 7.7691 8.4245 8.4245 8.4245 8.4245 8.8577 8.8577 8.8577 8.8577 14.6609 14.6609 14.6609 14.6609 17.2910 17.2910 17.2910 17.2910 20.9005 20.9005 k = 0.0000 0.3393 0.3385 ( 2688 PWs) bands (ev): -11.3196 -11.3196 -11.3196 -11.3196 -10.8757 -10.8757 -10.8757 -10.8757 -10.1484 -10.1484 -10.1484 -10.1484 -9.8984 -9.8984 -9.8984 -9.8984 -9.7190 -9.7190 -9.7190 -9.7190 -7.4983 -7.4983 -7.4983 -7.4983 -7.3327 -7.3327 -7.3327 -7.3327 4.2700 4.2700 4.2700 4.2700 5.8509 5.8509 5.8509 5.8509 6.7057 6.7057 6.7057 6.7057 7.7691 7.7691 7.7691 7.7691 8.4242 8.4242 8.4242 8.4242 8.8572 8.8572 8.8572 8.8572 14.6618 14.6618 14.6618 14.6618 17.2918 17.2918 17.2918 17.2918 20.9013 20.9013 k = 0.5000-0.0000 0.3385 ( 2704 PWs) bands (ev): -11.4771 -11.4771 -11.4703 -11.4703 -10.8480 -10.8480 -10.8154 -10.8154 -10.1555 -10.1555 -10.1548 -10.1548 -9.8739 -9.8739 -9.7948 -9.7948 -9.7242 -9.7242 -9.6753 -9.6753 -7.8138 -7.8138 -7.7862 -7.7862 -5.6174 -5.6174 -5.6119 -5.6119 2.8307 2.8307 2.8318 2.8318 4.0516 4.0516 4.2174 4.2174 5.5241 5.5241 5.5459 5.5459 8.0114 8.0114 8.0190 8.0190 8.6562 8.6562 8.6644 8.6644 9.0681 9.0681 9.0779 9.0779 16.3073 16.3073 16.3203 16.3203 17.7589 17.7589 18.0766 18.0766 20.7662 20.7662 k = 0.5000-0.0000 0.3285 ( 2704 PWs) bands (ev): -11.4768 -11.4768 -11.4701 -11.4701 -10.8482 -10.8482 -10.8156 -10.8156 -10.1555 -10.1555 -10.1547 -10.1547 -9.8743 -9.8743 -9.7953 -9.7953 -9.7243 -9.7243 -9.6753 -9.6753 -7.8131 -7.8131 -7.7855 -7.7855 -5.6178 -5.6178 -5.6124 -5.6124 2.8294 2.8294 2.8306 2.8306 4.0547 4.0547 4.2203 4.2203 5.5244 5.5244 5.5461 5.5461 8.0116 8.0116 8.0192 8.0192 8.6550 8.6550 8.6631 8.6631 9.0659 9.0659 9.0756 9.0756 16.3062 16.3062 16.3193 16.3193 17.7626 17.7626 18.0799 18.0799 20.7654 20.7654 k = 0.5000-0.0000 0.3185 ( 2700 PWs) bands (ev): -11.4761 -11.4761 -11.4693 -11.4693 -10.8488 -10.8488 -10.8163 -10.8163 -10.1554 -10.1554 -10.1547 -10.1547 -9.8754 -9.8754 -9.7966 -9.7966 -9.7243 -9.7243 -9.6754 -9.6754 -7.8108 -7.8108 -7.7834 -7.7834 -5.6191 -5.6191 -5.6137 -5.6137 2.8256 2.8256 2.8273 2.8273 4.0640 4.0640 4.2290 4.2290 5.5251 5.5251 5.5469 5.5469 8.0121 8.0121 8.0198 8.0198 8.6512 8.6512 8.6594 8.6594 9.0592 9.0592 9.0687 9.0687 16.3028 16.3028 16.3165 16.3165 17.7737 17.7737 18.0895 18.0895 20.7630 20.7630 k = 0.5000-0.0000 0.3086 ( 2698 PWs) bands (ev): -11.4748 -11.4748 -11.4680 -11.4680 -10.8499 -10.8499 -10.8175 -10.8175 -10.1552 -10.1552 -10.1546 -10.1546 -9.8773 -9.8773 -9.7987 -9.7987 -9.7244 -9.7244 -9.6756 -9.6756 -7.8072 -7.8072 -7.7801 -7.7801 -5.6213 -5.6213 -5.6159 -5.6159 2.8194 2.8194 2.8219 2.8219 4.0793 4.0793 4.2432 4.2432 5.5263 5.5263 5.5483 5.5483 8.0129 8.0129 8.0207 8.0207 8.6450 8.6450 8.6533 8.6533 9.0483 9.0483 9.0572 9.0572 16.2974 16.2974 16.3118 16.3118 17.7919 17.7919 18.1056 18.1056 20.7591 20.7591 k = 0.5000-0.0000 0.2986 ( 2698 PWs) bands (ev): -11.4730 -11.4730 -11.4662 -11.4662 -10.8513 -10.8513 -10.8191 -10.8191 -10.1550 -10.1550 -10.1545 -10.1545 -9.8799 -9.8799 -9.8017 -9.8017 -9.7246 -9.7246 -9.6758 -9.6758 -7.8021 -7.8021 -7.7754 -7.7754 -5.6243 -5.6243 -5.6189 -5.6189 2.8111 2.8111 2.8146 2.8146 4.1004 4.1004 4.2629 4.2629 5.5280 5.5280 5.5501 5.5501 8.0139 8.0139 8.0218 8.0218 8.6363 8.6363 8.6446 8.6446 9.0331 9.0331 9.0414 9.0414 16.2900 16.2900 16.3054 16.3054 17.8170 17.8170 18.1277 18.1277 20.7537 20.7537 k = 0.5000-0.0000 0.2887 ( 2702 PWs) bands (ev): -11.4707 -11.4707 -11.4639 -11.4639 -10.8532 -10.8532 -10.8212 -10.8212 -10.1547 -10.1547 -10.1544 -10.1544 -9.8833 -9.8833 -9.8055 -9.8055 -9.7247 -9.7247 -9.6762 -9.6762 -7.7957 -7.7957 -7.7694 -7.7694 -5.6282 -5.6282 -5.6228 -5.6228 2.8008 2.8008 2.8055 2.8055 4.1269 4.1269 4.2879 4.2879 5.5302 5.5302 5.5525 5.5525 8.0150 8.0150 8.0231 8.0231 8.6252 8.6252 8.6336 8.6336 9.0139 9.0139 9.0215 9.0215 16.2810 16.2810 16.2975 16.2975 17.8487 17.8487 18.1556 18.1556 20.7469 20.7469 k = 0.5000-0.0000 0.2787 ( 2700 PWs) bands (ev): -11.4679 -11.4679 -11.4611 -11.4611 -10.8555 -10.8555 -10.8237 -10.8237 -10.1544 -10.1544 -10.1542 -10.1542 -9.8872 -9.8872 -9.8102 -9.8102 -9.7248 -9.7248 -9.6765 -9.6765 -7.7879 -7.7879 -7.7623 -7.7623 -5.6329 -5.6329 -5.6275 -5.6275 2.7889 2.7889 2.7948 2.7948 4.1586 4.1586 4.3178 4.3178 5.5328 5.5328 5.5555 5.5555 8.0162 8.0162 8.0246 8.0246 8.6117 8.6117 8.6201 8.6201 8.9910 8.9910 8.9976 8.9976 16.2706 16.2706 16.2883 16.2883 17.8864 17.8864 18.1890 18.1890 20.7388 20.7388 k = 0.5000-0.0000 0.2688 ( 2692 PWs) bands (ev): -11.4647 -11.4647 -11.4579 -11.4579 -10.8582 -10.8582 -10.8267 -10.8267 -10.1540 -10.1540 -10.1539 -10.1539 -9.8918 -9.8918 -9.8156 -9.8156 -9.7249 -9.7249 -9.6770 -9.6770 -7.7789 -7.7789 -7.7540 -7.7540 -5.6383 -5.6383 -5.6330 -5.6330 2.7757 2.7757 2.7829 2.7829 4.1951 4.1951 4.3523 4.3523 5.5360 5.5360 5.5590 5.5590 8.0172 8.0172 8.0259 8.0259 8.5957 8.5957 8.6043 8.6043 8.9647 8.9647 8.9702 8.9702 16.2592 16.2592 16.2779 16.2779 17.9298 17.9298 18.2276 18.2276 20.7295 20.7295 k = 0.5000-0.0000 0.2588 ( 2684 PWs) bands (ev): -11.4610 -11.4610 -11.4541 -11.4541 -10.8613 -10.8613 -10.8302 -10.8302 -10.1537 -10.1537 -10.1535 -10.1535 -9.8970 -9.8970 -9.8217 -9.8217 -9.7249 -9.7249 -9.6775 -9.6775 -7.7688 -7.7688 -7.7445 -7.7445 -5.6445 -5.6445 -5.6392 -5.6392 2.7615 2.7615 2.7700 2.7700 4.2360 4.2360 4.3911 4.3911 5.5396 5.5396 5.5631 5.5631 8.0179 8.0179 8.0270 8.0270 8.5774 8.5774 8.5861 8.5861 8.9353 8.9353 8.9397 8.9397 16.2469 16.2469 16.2667 16.2667 17.9783 17.9783 18.2708 18.2708 20.7191 20.7191 k = 0.5000-0.0000 0.2489 ( 2692 PWs) bands (ev): -11.4568 -11.4568 -11.4499 -11.4499 -10.8648 -10.8648 -10.8341 -10.8341 -10.1534 -10.1534 -10.1530 -10.1530 -9.9026 -9.9026 -9.8285 -9.8285 -9.7248 -9.7248 -9.6780 -9.6780 -7.7575 -7.7575 -7.7341 -7.7341 -5.6514 -5.6514 -5.6461 -5.6461 2.7465 2.7465 2.7563 2.7563 4.2809 4.2809 4.4340 4.4340 5.5438 5.5438 5.5678 5.5678 8.0180 8.0180 8.0275 8.0275 8.5567 8.5567 8.5655 8.5655 8.9033 8.9033 8.9066 8.9066 16.2340 16.2340 16.2547 16.2547 18.0315 18.0315 18.3184 18.3184 20.7078 20.7078 k = 0.5000-0.0000 0.2389 ( 2694 PWs) bands (ev): -11.4521 -11.4521 -11.4453 -11.4453 -10.8686 -10.8686 -10.8384 -10.8384 -10.1530 -10.1530 -10.1523 -10.1523 -9.9087 -9.9087 -9.8359 -9.8359 -9.7247 -9.7247 -9.6787 -9.6787 -7.7453 -7.7453 -7.7228 -7.7228 -5.6590 -5.6590 -5.6537 -5.6537 2.7311 2.7311 2.7420 2.7420 4.3295 4.3295 4.4805 4.4805 5.5484 5.5484 5.5730 5.5730 8.0171 8.0171 8.0273 8.0273 8.5337 8.5337 8.5426 8.5426 8.8693 8.8693 8.8714 8.8714 16.2208 16.2208 16.2423 16.2423 18.0890 18.0890 18.3699 18.3699 20.6957 20.6957 k = 0.5000-0.0000 0.2290 ( 2694 PWs) bands (ev): -11.4471 -11.4471 -11.4402 -11.4402 -10.8729 -10.8729 -10.8432 -10.8432 -10.1526 -10.1526 -10.1516 -10.1516 -9.9152 -9.9152 -9.8439 -9.8439 -9.7245 -9.7245 -9.6793 -9.6793 -7.7322 -7.7322 -7.7106 -7.7106 -5.6671 -5.6671 -5.6619 -5.6619 2.7154 2.7154 2.7273 2.7273 4.3814 4.3814 4.5304 4.5304 5.5536 5.5536 5.5789 5.5789 8.0149 8.0149 8.0258 8.0258 8.5084 8.5084 8.5174 8.5174 8.8339 8.8339 8.8349 8.8349 16.2075 16.2075 16.2296 16.2296 18.1501 18.1501 18.4248 18.4248 20.6829 20.6829 k = 0.5000-0.0000 0.2190 ( 2702 PWs) bands (ev): -11.4416 -11.4416 -11.4347 -11.4347 -10.8775 -10.8775 -10.8483 -10.8483 -10.1522 -10.1522 -10.1509 -10.1509 -9.9220 -9.9220 -9.8523 -9.8523 -9.7242 -9.7242 -9.6801 -9.6801 -7.7183 -7.7183 -7.6977 -7.6977 -5.6758 -5.6758 -5.6707 -5.6707 2.6998 2.6998 2.7125 2.7125 4.4363 4.4363 4.5834 4.5834 5.5593 5.5593 5.5854 5.5854 8.0109 8.0109 8.0227 8.0227 8.4810 8.4810 8.4900 8.4900 8.7978 8.7978 8.7978 8.7978 16.1942 16.1942 16.2167 16.2167 18.2145 18.2145 18.4829 18.4829 20.6696 20.6696 k = 0.5000-0.0000 0.2090 ( 2702 PWs) bands (ev): -11.4357 -11.4357 -11.4288 -11.4288 -10.8825 -10.8825 -10.8539 -10.8539 -10.1517 -10.1517 -10.1500 -10.1500 -9.9290 -9.9290 -9.8611 -9.8611 -9.7239 -9.7239 -9.6808 -9.6808 -7.7037 -7.7037 -7.6841 -7.6841 -5.6851 -5.6851 -5.6800 -5.6800 2.6842 2.6842 2.6977 2.6977 4.4939 4.4939 4.6391 4.6391 5.5656 5.5656 5.5925 5.5925 8.0043 8.0043 8.0174 8.0174 8.4515 8.4515 8.4605 8.4605 8.7610 8.7610 8.7618 8.7618 16.1811 16.1811 16.2038 16.2038 18.2818 18.2818 18.5435 18.5435 20.6559 20.6559 k = 0.5000-0.0000 0.1991 ( 2702 PWs) bands (ev): -11.4295 -11.4295 -11.4226 -11.4226 -10.8879 -10.8879 -10.8599 -10.8599 -10.1511 -10.1511 -10.1491 -10.1491 -9.9362 -9.9362 -9.8703 -9.8703 -9.7235 -9.7235 -9.6817 -9.6817 -7.6886 -7.6886 -7.6701 -7.6701 -5.6947 -5.6947 -5.6897 -5.6897 2.6690 2.6690 2.6830 2.6830 4.5537 4.5537 4.6971 4.6971 5.5725 5.5725 5.6003 5.6003 7.9945 7.9945 8.0090 8.0090 8.4206 8.4206 8.4294 8.4294 8.7251 8.7251 8.7268 8.7268 16.1683 16.1683 16.1910 16.1910 18.3515 18.3515 18.6064 18.6064 20.6419 20.6419 k = 0.5000-0.0000 0.1891 ( 2698 PWs) bands (ev): -11.4229 -11.4229 -11.4160 -11.4160 -10.8935 -10.8935 -10.8663 -10.8663 -10.1505 -10.1505 -10.1481 -10.1481 -9.9436 -9.9436 -9.8797 -9.8797 -9.7230 -9.7230 -9.6826 -9.6826 -7.6731 -7.6731 -7.6556 -7.6556 -5.7047 -5.7047 -5.6998 -5.6998 2.6542 2.6542 2.6685 2.6685 4.6156 4.6156 4.7573 4.7573 5.5800 5.5800 5.6089 5.6089 7.9804 7.9804 7.9967 7.9967 8.3886 8.3886 8.3971 8.3971 8.6911 8.6911 8.6933 8.6933 16.1559 16.1559 16.1784 16.1784 18.4233 18.4233 18.6712 18.6712 20.6279 20.6279 k = 0.5000-0.0000 0.1792 ( 2698 PWs) bands (ev): -11.4161 -11.4161 -11.4091 -11.4091 -10.8994 -10.8994 -10.8730 -10.8730 -10.1498 -10.1498 -10.1470 -10.1470 -9.9510 -9.9510 -9.8892 -9.8892 -9.7225 -9.7225 -9.6835 -9.6835 -7.6573 -7.6573 -7.6408 -7.6408 -5.7149 -5.7149 -5.7101 -5.7101 2.6399 2.6399 2.6544 2.6544 4.6792 4.6792 4.8191 4.8191 5.5882 5.5882 5.6182 5.6182 7.9610 7.9610 7.9794 7.9794 8.3566 8.3566 8.3645 8.3645 8.6593 8.6593 8.6620 8.6620 16.1440 16.1440 16.1661 16.1661 18.4968 18.4968 18.7375 18.7375 20.6137 20.6137 k = 0.5000-0.0000 0.1692 ( 2694 PWs) bands (ev): -11.4089 -11.4089 -11.4020 -11.4020 -10.9056 -10.9056 -10.8800 -10.8800 -10.1491 -10.1491 -10.1459 -10.1459 -9.9584 -9.9584 -9.8989 -9.8989 -9.7219 -9.7219 -9.6845 -9.6845 -7.6413 -7.6413 -7.6259 -7.6259 -5.7254 -5.7254 -5.7207 -5.7207 2.6262 2.6262 2.6408 2.6408 4.7441 4.7441 4.8823 4.8823 5.5971 5.5971 5.6284 5.6284 7.9353 7.9353 7.9561 7.9561 8.3254 8.3254 8.3326 8.3326 8.6304 8.6304 8.6333 8.6333 16.1326 16.1326 16.1541 16.1541 18.5715 18.5715 18.8049 18.8049 20.5997 20.5997 k = 0.5000-0.0000 0.1593 ( 2700 PWs) bands (ev): -11.4015 -11.4015 -11.3947 -11.3947 -10.9121 -10.9121 -10.8873 -10.8873 -10.1483 -10.1483 -10.1447 -10.1447 -9.9656 -9.9656 -9.9085 -9.9085 -9.7212 -9.7212 -9.6855 -9.6855 -7.6252 -7.6252 -7.6109 -7.6109 -5.7360 -5.7360 -5.7314 -5.7314 2.6132 2.6132 2.6277 2.6277 4.8099 4.8099 4.9464 4.9464 5.6070 5.6070 5.6396 5.6396 7.9026 7.9026 7.9259 7.9259 8.2961 8.2961 8.3024 8.3024 8.6045 8.6045 8.6075 8.6075 16.1218 16.1218 16.1426 16.1426 18.6472 18.6472 18.8730 18.8730 20.5857 20.5857 k = 0.5000-0.0000 0.1493 ( 2704 PWs) bands (ev): -11.3940 -11.3940 -11.3871 -11.3871 -10.9187 -10.9187 -10.8949 -10.8949 -10.1475 -10.1475 -10.1434 -10.1434 -9.9728 -9.9728 -9.9182 -9.9182 -9.7205 -9.7205 -9.6865 -9.6865 -7.6093 -7.6093 -7.5960 -7.5960 -5.7466 -5.7466 -5.7422 -5.7422 2.6010 2.6010 2.6152 2.6152 4.8762 4.8762 5.0108 5.0108 5.6180 5.6180 5.6519 5.6519 7.8626 7.8626 7.8884 7.8884 8.2692 8.2692 8.2746 8.2746 8.5819 8.5819 8.5849 8.5849 16.1115 16.1115 16.1315 16.1315 18.7235 18.7235 18.9414 18.9414 20.5721 20.5721 k = 0.5000-0.0000 0.1394 ( 2704 PWs) bands (ev): -11.3863 -11.3863 -11.3795 -11.3795 -10.9254 -10.9254 -10.9026 -10.9026 -10.1465 -10.1465 -10.1421 -10.1421 -9.9797 -9.9797 -9.9277 -9.9277 -9.7197 -9.7197 -9.6876 -9.6876 -7.5935 -7.5935 -7.5813 -7.5813 -5.7571 -5.7571 -5.7529 -5.7529 2.5894 2.5894 2.6033 2.6033 4.9424 4.9424 5.0749 5.0749 5.6304 5.6304 5.6654 5.6654 7.8157 7.8157 7.8438 7.8438 8.2449 8.2449 8.2495 8.2495 8.5624 8.5624 8.5653 8.5653 16.1019 16.1019 16.1210 16.1210 18.8000 18.8000 19.0098 19.0098 20.5587 20.5587 k = 0.5000-0.0000 0.1294 ( 2698 PWs) bands (ev): -11.3785 -11.3785 -11.3718 -11.3718 -10.9322 -10.9322 -10.9105 -10.9105 -10.1455 -10.1455 -10.1407 -10.1407 -9.9864 -9.9864 -9.9371 -9.9371 -9.7189 -9.7189 -9.6887 -9.6887 -7.5781 -7.5781 -7.5669 -7.5669 -5.7675 -5.7675 -5.7635 -5.7635 2.5787 2.5787 2.5921 2.5921 5.0080 5.0080 5.1380 5.1380 5.6447 5.6447 5.6805 5.6805 7.7627 7.7627 7.7927 7.7927 8.2229 8.2229 8.2270 8.2270 8.5460 8.5460 8.5488 8.5488 16.0930 16.0930 16.1110 16.1110 18.8764 18.8764 19.0777 19.0777 20.5456 20.5456 k = 0.5000-0.0000 0.1195 ( 2694 PWs) bands (ev): -11.3706 -11.3706 -11.3641 -11.3641 -10.9391 -10.9391 -10.9185 -10.9185 -10.1445 -10.1445 -10.1393 -10.1393 -9.9928 -9.9928 -9.9463 -9.9463 -9.7180 -9.7180 -9.6899 -9.6899 -7.5632 -7.5632 -7.5529 -7.5529 -5.7776 -5.7776 -5.7738 -5.7738 2.5689 2.5689 2.5816 2.5816 5.0724 5.0724 5.1990 5.1990 5.6612 5.6612 5.6974 5.6974 7.7047 7.7047 7.7363 7.7363 8.2031 8.2031 8.2067 8.2067 8.5325 8.5325 8.5351 8.5351 16.0847 16.0847 16.1016 16.1016 18.9522 18.9522 19.1447 19.1447 20.5330 20.5330 k = 0.5000-0.0000 0.1095 ( 2698 PWs) bands (ev): -11.3629 -11.3629 -11.3565 -11.3565 -10.9458 -10.9458 -10.9265 -10.9265 -10.1434 -10.1434 -10.1379 -10.1379 -9.9987 -9.9987 -9.9552 -9.9552 -9.7171 -9.7171 -9.6910 -9.6910 -7.5488 -7.5488 -7.5395 -7.5395 -5.7874 -5.7874 -5.7838 -5.7838 2.5598 2.5598 2.5719 2.5719 5.1346 5.1346 5.2567 5.2567 5.6808 5.6808 5.7164 5.7164 7.6429 7.6429 7.6758 7.6758 8.1849 8.1849 8.1882 8.1882 8.5216 8.5216 8.5240 8.5240 16.0771 16.0771 16.0928 16.0928 19.0271 19.0271 19.2103 19.2103 20.5207 20.5207 k = 0.5000-0.0000 0.0995 ( 2686 PWs) bands (ev): -11.3552 -11.3552 -11.3490 -11.3490 -10.9525 -10.9525 -10.9344 -10.9344 -10.1422 -10.1422 -10.1365 -10.1365 -10.0042 -10.0042 -9.9637 -9.9637 -9.7161 -9.7161 -9.6922 -9.6922 -7.5352 -7.5352 -7.5269 -7.5269 -5.7967 -5.7967 -5.7934 -5.7934 2.5516 2.5516 2.5629 2.5629 5.1938 5.1938 5.3098 5.3098 5.7043 5.7043 5.7381 5.7381 7.5787 7.5787 7.6124 7.6124 8.1681 8.1681 8.1712 8.1712 8.5131 8.5131 8.5152 8.5152 16.0702 16.0702 16.0846 16.0846 19.1006 19.1006 19.2739 19.2739 20.5089 20.5089 k = 0.5000-0.0000 0.0896 ( 2686 PWs) bands (ev): -11.3477 -11.3477 -11.3418 -11.3418 -10.9589 -10.9589 -10.9422 -10.9422 -10.1409 -10.1409 -10.1352 -10.1352 -10.0092 -10.0092 -9.9720 -9.9720 -9.7151 -9.7151 -9.6934 -9.6934 -7.5224 -7.5224 -7.5150 -7.5150 -5.8055 -5.8055 -5.8024 -5.8024 2.5443 2.5443 2.5546 2.5546 5.2490 5.2490 5.3569 5.3569 5.7324 5.7324 5.7627 5.7627 7.5133 7.5133 7.5473 7.5473 8.1526 8.1526 8.1555 8.1555 8.5066 8.5066 8.5084 8.5084 16.0639 16.0639 16.0771 16.0771 19.1722 19.1722 19.3348 19.3348 20.4975 20.4975 k = 0.5000-0.0000 0.0796 ( 2688 PWs) bands (ev): -11.3405 -11.3405 -11.3350 -11.3350 -10.9649 -10.9649 -10.9498 -10.9498 -10.1397 -10.1397 -10.1339 -10.1339 -10.0136 -10.0136 -9.9798 -9.9798 -9.7141 -9.7141 -9.6947 -9.6947 -7.5106 -7.5106 -7.5041 -7.5041 -5.8136 -5.8136 -5.8108 -5.8108 2.5378 2.5378 2.5472 2.5472 5.2993 5.2993 5.3969 5.3969 5.7654 5.7654 5.7904 5.7904 7.4480 7.4480 7.4818 7.4818 8.1383 8.1383 8.1410 8.1410 8.5017 8.5017 8.5033 8.5033 16.0584 16.0584 16.0702 16.0702 19.2414 19.2414 19.3924 19.3924 20.4866 20.4866 k = 0.5000-0.0000 0.0697 ( 2686 PWs) bands (ev): -11.3338 -11.3338 -11.3286 -11.3286 -10.9706 -10.9706 -10.9570 -10.9570 -10.1384 -10.1384 -10.1327 -10.1327 -10.0174 -10.0174 -9.9871 -9.9871 -9.7130 -9.7130 -9.6959 -9.6959 -7.4998 -7.4998 -7.4942 -7.4942 -5.8210 -5.8210 -5.8185 -5.8185 2.5321 2.5321 2.5405 2.5405 5.3439 5.3439 5.4293 5.4293 5.8027 5.8027 5.8213 5.8213 7.3842 7.3842 7.4171 7.4171 8.1254 8.1254 8.1278 8.1278 8.4981 8.4981 8.4995 8.4995 16.0536 16.0536 16.0640 16.0640 19.3075 19.3075 19.4457 19.4457 20.4761 20.4761 k = 0.5000-0.0000 0.0597 ( 2690 PWs) bands (ev): -11.3275 -11.3275 -11.3228 -11.3228 -10.9756 -10.9756 -10.9637 -10.9637 -10.1371 -10.1371 -10.1317 -10.1317 -10.0205 -10.0205 -9.9939 -9.9939 -9.7119 -9.7119 -9.6972 -9.6972 -7.4902 -7.4902 -7.4854 -7.4854 -5.8276 -5.8276 -5.8254 -5.8254 2.5273 2.5273 2.5346 2.5346 5.3822 5.3822 5.4544 5.4544 5.8429 5.8429 5.8547 5.8547 7.3232 7.3232 7.3545 7.3545 8.1138 8.1138 8.1160 8.1160 8.4957 8.4957 8.4968 8.4968 16.0495 16.0495 16.0585 16.0585 19.3698 19.3698 19.4938 19.4938 20.4661 20.4662 k = 0.5000-0.0000 0.0498 ( 2690 PWs) bands (ev): -11.3218 -11.3218 -11.3177 -11.3177 -10.9800 -10.9800 -10.9698 -10.9698 -10.1358 -10.1358 -10.1309 -10.1309 -10.0228 -10.0228 -10.0002 -10.0002 -9.7107 -9.7107 -9.6984 -9.6984 -7.4818 -7.4818 -7.4779 -7.4779 -5.8332 -5.8332 -5.8314 -5.8314 2.5234 2.5234 2.5296 2.5296 5.4143 5.4143 5.4729 5.4729 5.8837 5.8837 5.8894 5.8894 7.2669 7.2669 7.2956 7.2956 8.1038 8.1038 8.1057 8.1057 8.4940 8.4940 8.4950 8.4950 16.0462 16.0462 16.0537 16.0537 19.4275 19.4275 19.5355 19.5355 20.4568 20.4568 k = 0.5000-0.0000 0.0398 ( 2694 PWs) bands (ev): -11.3169 -11.3169 -11.3135 -11.3135 -10.9836 -10.9836 -10.9753 -10.9753 -10.1345 -10.1345 -10.1303 -10.1303 -10.0243 -10.0243 -10.0059 -10.0059 -9.7096 -9.7096 -9.6997 -9.6997 -7.4748 -7.4748 -7.4717 -7.4717 -5.8379 -5.8379 -5.8365 -5.8365 2.5203 2.5203 2.5253 2.5253 5.4403 5.4403 5.4859 5.4859 5.9224 5.9224 5.9234 5.9234 7.2170 7.2170 7.2422 7.2422 8.0955 8.0955 8.0970 8.0970 8.4930 8.4930 8.4937 8.4937 16.0436 16.0436 16.0496 16.0496 19.4794 19.4794 19.5696 19.5696 20.4482 20.4483 k = 0.5000-0.0000 0.0299 ( 2690 PWs) bands (ev): -11.3128 -11.3128 -11.3101 -11.3101 -10.9862 -10.9862 -10.9799 -10.9799 -10.1334 -10.1334 -10.1300 -10.1300 -10.0249 -10.0249 -10.0109 -10.0109 -9.7084 -9.7084 -9.7009 -9.7009 -7.4692 -7.4692 -7.4669 -7.4669 -5.8416 -5.8416 -5.8405 -5.8405 2.5180 2.5180 2.5218 2.5218 5.4609 5.4609 5.4942 5.4942 5.9544 5.9544 5.9562 5.9562 7.1758 7.1758 7.1963 7.1963 8.0889 8.0889 8.0901 8.0901 8.4923 8.4923 8.4929 8.4929 16.0417 16.0417 16.0463 16.0463 19.5247 19.5247 19.5948 19.5948 20.4408 20.4408 k = 0.5000-0.0000 0.0199 ( 2694 PWs) bands (ev): -11.3096 -11.3096 -11.3078 -11.3078 -10.9879 -10.9879 -10.9836 -10.9836 -10.1323 -10.1323 -10.1300 -10.1300 -10.0247 -10.0247 -10.0153 -10.0153 -9.7072 -9.7072 -9.7022 -9.7022 -7.4650 -7.4650 -7.4635 -7.4635 -5.8442 -5.8442 -5.8435 -5.8435 2.5166 2.5166 2.5191 2.5191 5.4765 5.4765 5.4982 5.4982 5.9797 5.9797 5.9823 5.9823 7.1455 7.1455 7.1600 7.1600 8.0842 8.0842 8.0850 8.0850 8.4920 8.4920 8.4923 8.4923 16.0406 16.0406 16.0437 16.0437 19.5619 19.5619 19.6100 19.6100 20.4348 20.4349 k = 0.5000-0.0000 0.0100 ( 2694 PWs) bands (ev): -11.3075 -11.3075 -11.3066 -11.3066 -10.9885 -10.9885 -10.9863 -10.9863 -10.1314 -10.1314 -10.1302 -10.1302 -10.0236 -10.0236 -10.0189 -10.0189 -9.7060 -9.7060 -9.7035 -9.7035 -7.4624 -7.4624 -7.4616 -7.4616 -5.8457 -5.8457 -5.8454 -5.8454 2.5160 2.5160 2.5173 2.5173 5.4877 5.4877 5.4984 5.4984 5.9968 5.9968 5.9985 5.9985 7.1280 7.1280 7.1356 7.1356 8.0814 8.0814 8.0818 8.0818 8.4919 8.4919 8.4920 8.4920 16.0403 16.0403 16.0418 16.0418 19.5899 19.5899 19.6144 19.6144 20.4309 20.4309 k = 0.5000-0.0000-0.0000 ( 2694 PWs) bands (ev): -11.3065 -11.3065 -11.3065 -11.3065 -10.9879 -10.9879 -10.9879 -10.9879 -10.1307 -10.1307 -10.1307 -10.1307 -10.0217 -10.0217 -10.0217 -10.0217 -9.7047 -9.7047 -9.7047 -9.7047 -7.4612 -7.4612 -7.4612 -7.4612 -5.8461 -5.8461 -5.8461 -5.8461 2.5162 2.5162 2.5162 2.5162 5.4950 5.4950 5.4950 5.4950 6.0034 6.0034 6.0034 6.0034 7.1246 7.1246 7.1246 7.1246 8.0806 8.0806 8.0806 8.0806 8.4919 8.4919 8.4919 8.4919 16.0406 16.0406 16.0406 16.0406 19.6076 19.6076 19.6076 19.6076 20.4294 20.4294 k = 0.5000 0.3393-0.0000 ( 2704 PWs) bands (ev): -11.4770 -11.4770 -11.4710 -11.4710 -10.8482 -10.8482 -10.8152 -10.8152 -10.1563 -10.1563 -10.1538 -10.1538 -9.8740 -9.8740 -9.7947 -9.7947 -9.7243 -9.7243 -9.6750 -9.6750 -7.8127 -7.8127 -7.7850 -7.7850 -5.6177 -5.6177 -5.6117 -5.6117 2.8311 2.8311 2.8322 2.8322 4.0431 4.0431 4.2092 4.2092 5.5244 5.5244 5.5460 5.5460 8.0019 8.0019 8.0096 8.0096 8.6687 8.6687 8.6769 8.6769 9.0715 9.0715 9.0814 9.0814 16.3102 16.3102 16.3231 16.3231 17.7641 17.7641 18.0798 18.0798 20.7595 20.7595 k = 0.5000 0.3393 0.0100 ( 2708 PWs) bands (ev): -11.4768 -11.4768 -11.4708 -11.4708 -10.8484 -10.8484 -10.8154 -10.8154 -10.1562 -10.1562 -10.1538 -10.1538 -9.8745 -9.8745 -9.7952 -9.7952 -9.7243 -9.7243 -9.6751 -9.6751 -7.8117 -7.8117 -7.7839 -7.7839 -5.6182 -5.6182 -5.6122 -5.6122 2.8261 2.8261 2.8267 2.8267 4.0495 4.0495 4.2149 4.2149 5.5238 5.5238 5.5454 5.5454 8.0036 8.0036 8.0113 8.0113 8.6692 8.6692 8.6774 8.6774 9.0700 9.0700 9.0800 9.0800 16.3042 16.3042 16.3159 16.3159 17.7703 17.7703 18.0843 18.0843 20.7595 20.7595 k = 0.5000 0.3393 0.0199 ( 2708 PWs) bands (ev): -11.4761 -11.4761 -11.4700 -11.4700 -10.8492 -10.8492 -10.8162 -10.8162 -10.1561 -10.1561 -10.1538 -10.1538 -9.8758 -9.8758 -9.7965 -9.7965 -9.7243 -9.7243 -9.6751 -9.6751 -7.8086 -7.8086 -7.7808 -7.7808 -5.6198 -5.6198 -5.6137 -5.6137 2.8107 2.8107 2.8115 2.8115 4.0682 4.0682 4.2320 4.2320 5.5220 5.5220 5.5436 5.5436 8.0087 8.0087 8.0163 8.0163 8.6705 8.6705 8.6788 8.6788 9.0658 9.0658 9.0760 9.0760 16.2867 16.2867 16.2946 16.2946 17.7885 17.7885 18.0975 18.0975 20.7594 20.7594 k = 0.5000 0.3393 0.0299 ( 2708 PWs) bands (ev): -11.4749 -11.4749 -11.4688 -11.4688 -10.8503 -10.8503 -10.8174 -10.8174 -10.1559 -10.1559 -10.1538 -10.1538 -9.8780 -9.8780 -9.7988 -9.7988 -9.7243 -9.7243 -9.6753 -9.6753 -7.8033 -7.8033 -7.7757 -7.7757 -5.6224 -5.6224 -5.6163 -5.6163 2.7851 2.7851 2.7881 2.7881 4.0980 4.0980 4.2594 4.2594 5.5191 5.5191 5.5407 5.5407 8.0171 8.0171 8.0246 8.0246 8.6728 8.6728 8.6810 8.6810 9.0588 9.0588 9.0693 9.0693 16.2582 16.2582 16.2607 16.2607 17.8173 17.8173 18.1186 18.1186 20.7594 20.7594 k = 0.5000 0.3393 0.0398 ( 2704 PWs) bands (ev): -11.4733 -11.4733 -11.4671 -11.4671 -10.8520 -10.8520 -10.8191 -10.8191 -10.1557 -10.1557 -10.1538 -10.1538 -9.8809 -9.8809 -9.8019 -9.8019 -9.7243 -9.7243 -9.6755 -9.6755 -7.7961 -7.7961 -7.7685 -7.7685 -5.6261 -5.6261 -5.6199 -5.6199 2.7514 2.7514 2.7569 2.7569 4.1374 4.1374 4.2957 4.2957 5.5155 5.5155 5.5372 5.5372 8.0285 8.0285 8.0360 8.0360 8.6760 8.6760 8.6841 8.6841 9.0491 9.0491 9.0599 9.0599 16.2157 16.2157 16.2200 16.2200 17.8552 17.8552 18.1468 18.1468 20.7593 20.7593 k = 0.5000 0.3393 0.0498 ( 2704 PWs) bands (ev): -11.4712 -11.4712 -11.4650 -11.4650 -10.8541 -10.8541 -10.8213 -10.8213 -10.1553 -10.1553 -10.1538 -10.1538 -9.8847 -9.8847 -9.8058 -9.8058 -9.7243 -9.7243 -9.6758 -9.6758 -7.7869 -7.7869 -7.7593 -7.7593 -5.6308 -5.6308 -5.6244 -5.6244 2.7113 2.7113 2.7194 2.7194 4.1845 4.1845 4.3394 4.3394 5.5117 5.5117 5.5333 5.5333 8.0429 8.0429 8.0502 8.0502 8.6800 8.6800 8.6882 8.6882 9.0367 9.0367 9.0479 9.0479 16.1616 16.1616 16.1731 16.1731 17.9001 17.9001 18.1806 18.1806 20.7591 20.7591 k = 0.5000 0.3393 0.0597 ( 2712 PWs) bands (ev): -11.4687 -11.4687 -11.4624 -11.4624 -10.8567 -10.8567 -10.8240 -10.8240 -10.1549 -10.1549 -10.1539 -10.1539 -9.8892 -9.8892 -9.8105 -9.8105 -9.7242 -9.7242 -9.6761 -9.6761 -7.7758 -7.7758 -7.7483 -7.7483 -5.6364 -5.6364 -5.6300 -5.6300 2.6662 2.6662 2.6768 2.6768 4.2374 4.2374 4.3887 4.3887 5.5082 5.5082 5.5295 5.5295 8.0598 8.0598 8.0670 8.0670 8.6849 8.6849 8.6930 8.6930 9.0216 9.0216 9.0333 9.0333 16.1003 16.1003 16.1191 16.1191 17.9500 17.9500 18.2187 18.2187 20.7589 20.7589 k = 0.5000 0.3393 0.0697 ( 2704 PWs) bands (ev): -11.4657 -11.4657 -11.4593 -11.4593 -10.8598 -10.8598 -10.8271 -10.8271 -10.1544 -10.1544 -10.1539 -10.1539 -9.8944 -9.8944 -9.8160 -9.8160 -9.7241 -9.7241 -9.6765 -9.6765 -7.7629 -7.7629 -7.7356 -7.7356 -5.6431 -5.6431 -5.6365 -5.6365 2.6176 2.6176 2.6304 2.6304 4.2942 4.2942 4.4418 4.4418 5.5059 5.5059 5.5266 5.5266 8.0791 8.0791 8.0860 8.0860 8.6906 8.6906 8.6987 8.6987 9.0039 9.0039 9.0163 9.0163 16.0335 16.0335 16.0592 16.0592 18.0034 18.0034 18.2599 18.2599 20.7586 20.7586 k = 0.5000 0.3393 0.0796 ( 2700 PWs) bands (ev): -11.4623 -11.4623 -11.4557 -11.4557 -10.8633 -10.8633 -10.8308 -10.8308 -10.1539 -10.1539 -10.1538 -10.1538 -9.9001 -9.9001 -9.8222 -9.8222 -9.7239 -9.7239 -9.6769 -9.6769 -7.7483 -7.7483 -7.7211 -7.7211 -5.6507 -5.6507 -5.6440 -5.6440 2.5665 2.5665 2.5813 2.5813 4.3533 4.3533 4.4969 4.4969 5.5056 5.5056 5.5254 5.5254 8.1002 8.1002 8.1068 8.1068 8.6971 8.6971 8.7052 8.7052 8.9838 8.9838 8.9969 8.9969 15.9627 15.9627 15.9946 15.9946 18.0587 18.0587 18.3030 18.3030 20.7581 20.7581 k = 0.5000 0.3393 0.0896 ( 2700 PWs) bands (ev): -11.4584 -11.4584 -11.4518 -11.4518 -10.8672 -10.8672 -10.8349 -10.8349 -10.1539 -10.1539 -10.1532 -10.1532 -9.9064 -9.9064 -9.8290 -9.8290 -9.7237 -9.7237 -9.6774 -9.6774 -7.7321 -7.7321 -7.7050 -7.7050 -5.6593 -5.6593 -5.6523 -5.6523 2.5140 2.5140 2.5304 2.5304 4.4130 4.4130 4.5521 4.5521 5.5086 5.5086 5.5268 5.5268 8.1227 8.1227 8.1290 8.1290 8.7044 8.7044 8.7124 8.7124 8.9615 8.9615 8.9752 8.9752 15.8892 15.8892 15.9265 15.9265 18.1147 18.1147 18.3468 18.3468 20.7576 20.7576 k = 0.5000 0.3393 0.0995 ( 2704 PWs) bands (ev): -11.4542 -11.4542 -11.4474 -11.4474 -10.8715 -10.8715 -10.8394 -10.8394 -10.1539 -10.1539 -10.1525 -10.1525 -9.9132 -9.9132 -9.8364 -9.8364 -9.7233 -9.7233 -9.6779 -9.6779 -7.7143 -7.7143 -7.6875 -7.6875 -5.6687 -5.6687 -5.6616 -5.6616 2.4607 2.4607 2.4784 2.4784 4.4715 4.4715 4.6055 4.6055 5.5162 5.5162 5.5319 5.5319 8.1463 8.1463 8.1520 8.1520 8.7124 8.7124 8.7203 8.7203 8.9371 8.9371 8.9515 8.9515 15.8140 15.8140 15.8559 15.8559 18.1703 18.1703 18.3905 18.3905 20.7570 20.7570 k = 0.5000 0.3393 0.1095 ( 2696 PWs) bands (ev): -11.4495 -11.4495 -11.4426 -11.4426 -10.8763 -10.8763 -10.8445 -10.8445 -10.1539 -10.1539 -10.1517 -10.1517 -9.9203 -9.9203 -9.8443 -9.8443 -9.7229 -9.7229 -9.6785 -9.6785 -7.6953 -7.6953 -7.6687 -7.6687 -5.6790 -5.6790 -5.6717 -5.6717 2.4073 2.4073 2.4259 2.4259 4.5274 4.5274 4.6552 4.6552 5.5300 5.5300 5.5420 5.5420 8.1702 8.1702 8.1752 8.1752 8.7211 8.7211 8.7289 8.7289 8.9109 8.9109 8.9260 8.9260 15.7380 15.7380 15.7837 15.7837 18.2248 18.2248 18.4332 18.4332 20.7564 20.7564 k = 0.5000 0.3393 0.1195 ( 2696 PWs) bands (ev): -11.4445 -11.4445 -11.4374 -11.4374 -10.8815 -10.8815 -10.8499 -10.8499 -10.1539 -10.1539 -10.1508 -10.1508 -9.9277 -9.9277 -9.8526 -9.8526 -9.7225 -9.7225 -9.6791 -9.6791 -7.6750 -7.6750 -7.6487 -7.6487 -5.6900 -5.6900 -5.6825 -5.6825 2.3544 2.3544 2.3736 2.3736 4.5789 4.5789 4.6994 4.6994 5.5513 5.5513 5.5584 5.5584 8.1938 8.1938 8.1980 8.1980 8.7304 8.7304 8.7380 8.7380 8.8834 8.8834 8.8990 8.8990 15.6619 15.6619 15.7107 15.7107 18.2775 18.2775 18.4744 18.4744 20.7557 20.7557 k = 0.5000 0.3393 0.1294 ( 2696 PWs) bands (ev): -11.4391 -11.4391 -11.4319 -11.4319 -10.8870 -10.8870 -10.8558 -10.8558 -10.1538 -10.1538 -10.1499 -10.1499 -9.9353 -9.9353 -9.8613 -9.8613 -9.7220 -9.7220 -9.6798 -9.6798 -7.6536 -7.6536 -7.6277 -7.6277 -5.7018 -5.7018 -5.6941 -5.6941 2.3022 2.3022 2.3219 2.3219 4.6246 4.6246 4.7367 4.7367 5.5814 5.5814 5.5822 5.5822 8.2165 8.2165 8.2194 8.2194 8.7401 8.7401 8.7477 8.7477 8.8551 8.8551 8.8711 8.8711 15.5864 15.5864 15.6374 15.6374 18.3278 18.3278 18.5136 18.5136 20.7499 20.7538 k = 0.5000 0.3393 0.1394 ( 2704 PWs) bands (ev): -11.4334 -11.4334 -11.4260 -11.4260 -10.8929 -10.8929 -10.8621 -10.8621 -10.1537 -10.1537 -10.1490 -10.1490 -9.9430 -9.9430 -9.8702 -9.8702 -9.7214 -9.7214 -9.6805 -9.6805 -7.6313 -7.6313 -7.6058 -7.6058 -5.7143 -5.7143 -5.7064 -5.7064 2.2512 2.2512 2.2711 2.2711 4.6636 4.6636 4.7662 4.7662 5.6145 5.6145 5.6211 5.6211 8.2372 8.2372 8.2384 8.2384 8.7500 8.7500 8.7575 8.7575 8.8270 8.8270 8.8429 8.8429 15.5120 15.5120 15.5646 15.5646 18.3753 18.3753 18.5502 18.5502 20.7361 20.7362 k = 0.5000 0.3393 0.1493 ( 2700 PWs) bands (ev): -11.4274 -11.4274 -11.4198 -11.4198 -10.8991 -10.8991 -10.8688 -10.8688 -10.1536 -10.1536 -10.1480 -10.1480 -9.9507 -9.9507 -9.8792 -9.8792 -9.7207 -9.7207 -9.6813 -9.6813 -7.6082 -7.6082 -7.5831 -7.5831 -5.7273 -5.7273 -5.7193 -5.7193 2.2017 2.2017 2.2214 2.2214 4.6951 4.6951 4.7875 4.7875 5.6558 5.6558 5.6705 5.6705 8.2539 8.2539 8.2548 8.2548 8.7594 8.7594 8.7671 8.7671 8.8007 8.8007 8.8160 8.8160 15.4393 15.4393 15.4927 15.4927 18.4198 18.4198 18.5840 18.5840 20.7234 20.7234 k = 0.5000 0.3393 0.1593 ( 2692 PWs) bands (ev): -11.4210 -11.4210 -11.4133 -11.4133 -10.9056 -10.9056 -10.8759 -10.8759 -10.1535 -10.1535 -10.1470 -10.1470 -9.9584 -9.9584 -9.8884 -9.8884 -9.7200 -9.7200 -9.6821 -9.6821 -7.5846 -7.5846 -7.5600 -7.5600 -5.7409 -5.7409 -5.7327 -5.7327 2.1538 2.1538 2.1733 2.1733 4.7190 4.7190 4.8013 4.8013 5.7060 5.7060 5.7289 5.7289 8.2643 8.2643 8.2681 8.2681 8.7613 8.7613 8.7719 8.7719 8.7843 8.7843 8.7956 8.7956 15.3685 15.3685 15.4222 15.4222 18.4610 18.4610 18.6148 18.6148 20.7117 20.7117 k = 0.5000 0.3393 0.1692 ( 2684 PWs) bands (ev): -11.4144 -11.4144 -11.4066 -11.4066 -10.9124 -10.9124 -10.8832 -10.8832 -10.1533 -10.1533 -10.1459 -10.1459 -9.9660 -9.9660 -9.8977 -9.8977 -9.7192 -9.7192 -9.6829 -9.6829 -7.5604 -7.5604 -7.5364 -7.5364 -5.7549 -5.7549 -5.7466 -5.7466 2.1078 2.1078 2.1269 2.1269 4.7359 4.7359 4.8085 4.8085 5.7647 5.7647 5.7953 5.7953 8.2680 8.2680 8.2753 8.2753 8.7457 8.7457 8.7584 8.7584 8.7892 8.7892 8.7966 8.7966 15.3002 15.3002 15.3536 15.3536 18.4988 18.4988 18.6425 18.6425 20.7015 20.7015 k = 0.5000 0.3393 0.1792 ( 2680 PWs) bands (ev): -11.4076 -11.4076 -11.3997 -11.3997 -10.9193 -10.9193 -10.8909 -10.8909 -10.1530 -10.1530 -10.1449 -10.1449 -9.9733 -9.9733 -9.9069 -9.9069 -9.7184 -9.7184 -9.6838 -9.6838 -7.5360 -7.5360 -7.5127 -7.5127 -5.7692 -5.7692 -5.7609 -5.7609 2.0638 2.0638 2.0823 2.0823 4.7466 4.7466 4.8102 4.8102 5.8309 5.8309 5.8686 5.8686 8.2632 8.2632 8.2749 8.2749 8.7295 8.7295 8.7405 8.7405 8.7998 8.7998 8.8065 8.8065 15.2345 15.2345 15.2871 15.2871 18.5332 18.5332 18.6669 18.6669 20.6928 20.6928 k = 0.5000 0.3393 0.1891 ( 2680 PWs) bands (ev): -11.4006 -11.4006 -11.3926 -11.3926 -10.9264 -10.9264 -10.8988 -10.8988 -10.1527 -10.1527 -10.1438 -10.1438 -9.9804 -9.9804 -9.9161 -9.9161 -9.7176 -9.7176 -9.6847 -9.6847 -7.5116 -7.5116 -7.4890 -7.4890 -5.7837 -5.7837 -5.7754 -5.7754 2.0219 2.0219 2.0398 2.0398 4.7521 4.7521 4.8076 4.8076 5.9037 5.9037 5.9474 5.9474 8.2488 8.2488 8.2654 8.2654 8.7184 8.7184 8.7268 8.7268 8.8114 8.8114 8.8177 8.8177 15.1718 15.1718 15.2232 15.2232 18.5642 18.5642 18.6882 18.6882 20.6858 20.6858 k = 0.5000 0.3393 0.1991 ( 2676 PWs) bands (ev): -11.3935 -11.3935 -11.3854 -11.3854 -10.9337 -10.9337 -10.9069 -10.9069 -10.1524 -10.1524 -10.1428 -10.1428 -9.9871 -9.9871 -9.9251 -9.9251 -9.7167 -9.7167 -9.6856 -9.6856 -7.4872 -7.4872 -7.4654 -7.4654 -5.7984 -5.7984 -5.7900 -5.7900 1.9824 1.9824 1.9995 1.9995 4.7534 4.7534 4.8019 4.8019 5.9818 5.9818 6.0306 6.0306 8.2242 8.2242 8.2459 8.2459 8.7132 8.7132 8.7189 8.7189 8.8233 8.8233 8.8292 8.8292 15.1123 15.1123 15.1620 15.1620 18.5919 18.5919 18.7064 18.7064 20.6807 20.6807 k = 0.5000 0.3393 0.2090 ( 2680 PWs) bands (ev): -11.3863 -11.3863 -11.3781 -11.3781 -10.9409 -10.9409 -10.9152 -10.9152 -10.1520 -10.1520 -10.1418 -10.1418 -9.9934 -9.9934 -9.9340 -9.9340 -9.7157 -9.7157 -9.6866 -9.6866 -7.4631 -7.4631 -7.4423 -7.4423 -5.8130 -5.8130 -5.8047 -5.8047 1.9453 1.9453 1.9615 1.9615 4.7516 4.7516 4.7938 4.7938 6.0643 6.0643 6.1173 6.1173 8.1901 8.1901 8.2166 8.2166 8.7135 8.7135 8.7168 8.7168 8.8352 8.8352 8.8408 8.8408 15.0563 15.0563 15.1040 15.1040 18.6164 18.6164 18.7215 18.7215 20.6775 20.6775 k = 0.5000 0.3393 0.2190 ( 2680 PWs) bands (ev): -11.3790 -11.3790 -11.3709 -11.3709 -10.9481 -10.9481 -10.9235 -10.9235 -10.1515 -10.1515 -10.1408 -10.1408 -9.9992 -9.9992 -9.9426 -9.9426 -9.7147 -9.7147 -9.6876 -9.6876 -7.4396 -7.4396 -7.4197 -7.4197 -5.8274 -5.8274 -5.8193 -5.8193 1.9107 1.9107 1.9259 1.9259 4.7475 4.7475 4.7843 4.7843 6.1503 6.1503 6.2066 6.2066 8.1474 8.1474 8.1783 8.1783 8.7182 8.7182 8.7196 8.7196 8.8470 8.8470 8.8522 8.8522 15.0040 15.0040 15.0492 15.0492 18.6380 18.6380 18.7339 18.7339 20.6763 20.6763 k = 0.5000 0.3393 0.2290 ( 2680 PWs) bands (ev): -11.3717 -11.3717 -11.3637 -11.3637 -10.9553 -10.9553 -10.9319 -10.9319 -10.1510 -10.1510 -10.1400 -10.1400 -10.0045 -10.0045 -9.9510 -9.9510 -9.7137 -9.7137 -9.6886 -9.6886 -7.4167 -7.4167 -7.3979 -7.3979 -5.8416 -5.8416 -5.8337 -5.8337 1.8786 1.8786 1.8928 1.8928 4.7418 4.7418 4.7738 4.7738 6.2389 6.2389 6.2978 6.2978 8.0974 8.0974 8.1321 8.1321 8.7259 8.7259 8.7260 8.7260 8.8586 8.8586 8.8633 8.8633 14.9555 14.9555 14.9980 14.9980 18.6567 18.6567 18.7437 18.7437 20.6770 20.6770 k = 0.5000 0.3393 0.2389 ( 2668 PWs) bands (ev): -11.3646 -11.3646 -11.3567 -11.3567 -10.9622 -10.9622 -10.9402 -10.9402 -10.1503 -10.1503 -10.1393 -10.1393 -10.0092 -10.0092 -9.9590 -9.9590 -9.7127 -9.7127 -9.6896 -9.6896 -7.3947 -7.3947 -7.3771 -7.3771 -5.8552 -5.8552 -5.8476 -5.8476 1.8492 1.8492 1.8623 1.8623 4.7352 4.7352 4.7630 4.7630 6.3294 6.3294 6.3903 6.3903 8.0412 8.0412 8.0794 8.0794 8.7347 8.7347 8.7356 8.7356 8.8697 8.8697 8.8739 8.8739 14.9110 14.9110 14.9505 14.9505 18.6729 18.6729 18.7512 18.7512 20.6797 20.6797 k = 0.5000 0.3393 0.2489 ( 2668 PWs) bands (ev): -11.3576 -11.3576 -11.3500 -11.3500 -10.9688 -10.9688 -10.9483 -10.9483 -10.1497 -10.1497 -10.1387 -10.1387 -10.0133 -10.0133 -9.9667 -9.9667 -9.7116 -9.7116 -9.6907 -9.6907 -7.3738 -7.3738 -7.3576 -7.3576 -5.8682 -5.8682 -5.8610 -5.8610 1.8225 1.8225 1.8344 1.8344 4.7282 4.7282 4.7521 4.7521 6.4214 6.4214 6.4836 6.4836 7.9799 7.9799 8.0211 8.0211 8.7448 8.7448 8.7462 8.7462 8.8802 8.8802 8.8840 8.8840 14.8706 14.8706 14.9069 14.9069 18.6868 18.6868 18.7566 18.7566 20.6842 20.6842 k = 0.5000 0.3393 0.2588 ( 2660 PWs) bands (ev): -11.3508 -11.3508 -11.3436 -11.3436 -10.9750 -10.9750 -10.9562 -10.9562 -10.1489 -10.1489 -10.1382 -10.1382 -10.0166 -10.0166 -9.9741 -9.9741 -9.7105 -9.7105 -9.6918 -9.6918 -7.3543 -7.3543 -7.3395 -7.3395 -5.8804 -5.8804 -5.8737 -5.8737 1.7985 1.7985 1.8092 1.8092 4.7211 4.7211 4.7417 4.7417 6.5141 6.5141 6.5772 6.5772 7.9143 7.9143 7.9582 7.9582 8.7553 8.7553 8.7570 8.7570 8.8900 8.8900 8.8934 8.8934 14.8345 14.8345 14.8672 14.8672 18.6987 18.6987 18.7601 18.7601 20.6905 20.6905 k = 0.5000 0.3393 0.2688 ( 2660 PWs) bands (ev): -11.3444 -11.3444 -11.3377 -11.3377 -10.9807 -10.9807 -10.9637 -10.9637 -10.1481 -10.1481 -10.1380 -10.1380 -10.0192 -10.0192 -9.9811 -9.9811 -9.7093 -9.7093 -9.6929 -9.6929 -7.3363 -7.3363 -7.3230 -7.3230 -5.8917 -5.8917 -5.8855 -5.8855 1.7774 1.7774 1.7868 1.7868 4.7144 4.7144 4.7318 4.7318 6.6073 6.6073 6.6708 6.6708 7.8450 7.8450 7.8913 7.8913 8.7656 8.7656 8.7673 8.7673 8.8991 8.8991 8.9020 8.9020 14.8026 14.8026 14.8317 14.8317 18.7088 18.7088 18.7621 18.7621 20.6984 20.6984 k = 0.5000 0.3393 0.2787 ( 2664 PWs) bands (ev): -11.3385 -11.3385 -11.3324 -11.3324 -10.9858 -10.9858 -10.9708 -10.9708 -10.1472 -10.1472 -10.1379 -10.1379 -10.0211 -10.0211 -9.9876 -9.9876 -9.7082 -9.7082 -9.6940 -9.6940 -7.3200 -7.3200 -7.3084 -7.3084 -5.9017 -5.9017 -5.8962 -5.8962 1.7591 1.7591 1.7673 1.7673 4.7082 4.7082 4.7227 4.7227 6.7004 6.7004 6.7638 6.7638 7.7727 7.7727 7.8211 7.8211 8.7753 8.7753 8.7769 8.7769 8.9072 8.9072 8.9096 8.9096 14.7752 14.7752 14.8004 14.8004 18.7174 18.7174 18.7628 18.7628 20.7077 20.7077 k = 0.5000 0.3393 0.2887 ( 2660 PWs) bands (ev): -11.3331 -11.3331 -11.3277 -11.3277 -10.9901 -10.9901 -10.9772 -10.9772 -10.1463 -10.1463 -10.1380 -10.1380 -10.0221 -10.0221 -9.9937 -9.9937 -9.7070 -9.7070 -9.6952 -9.6952 -7.3057 -7.3057 -7.2959 -7.2959 -5.9105 -5.9105 -5.9057 -5.9057 1.7437 1.7437 1.7505 1.7505 4.7028 4.7028 4.7146 4.7146 6.7929 6.7929 6.8558 6.8558 7.6979 7.6979 7.7481 7.7481 8.7839 8.7839 8.7854 8.7854 8.9142 8.9142 8.9162 8.9162 14.7523 14.7523 14.7735 14.7735 18.7249 18.7249 18.7623 18.7623 20.7182 20.7182 k = 0.5000 0.3393 0.2986 ( 2664 PWs) bands (ev): -11.3284 -11.3284 -11.3239 -11.3239 -10.9935 -10.9935 -10.9830 -10.9830 -10.1453 -10.1453 -10.1384 -10.1384 -10.0224 -10.0224 -9.9992 -9.9992 -9.7059 -9.7059 -9.6964 -9.6964 -7.2935 -7.2935 -7.2855 -7.2855 -5.9178 -5.9178 -5.9139 -5.9139 1.7311 1.7311 1.7366 1.7366 4.6984 4.6984 4.7077 4.7077 6.8843 6.8843 6.9460 6.9460 7.6215 7.6215 7.6729 7.6729 8.7913 8.7913 8.7926 8.7926 8.9201 8.9201 8.9217 8.9217 14.7338 14.7338 14.7510 14.7510 18.7312 18.7312 18.7610 18.7610 20.7297 20.7297 k = 0.5000 0.3393 0.3086 ( 2664 PWs) bands (ev): -11.3244 -11.3244 -11.3209 -11.3209 -10.9960 -10.9960 -10.9880 -10.9880 -10.1442 -10.1442 -10.1389 -10.1389 -10.0219 -10.0219 -10.0043 -10.0043 -9.7047 -9.7047 -9.6975 -9.6975 -7.2836 -7.2836 -7.2775 -7.2775 -5.9235 -5.9235 -5.9205 -5.9205 1.7215 1.7215 1.7257 1.7257 4.6950 4.6950 4.7019 4.7019 6.9736 6.9736 7.0331 7.0331 7.5448 7.5448 7.5964 7.5964 8.7973 8.7973 8.7983 8.7983 8.9249 8.9249 8.9261 8.9261 14.7199 14.7199 14.7329 14.7329 18.7368 18.7368 18.7590 18.7590 20.7418 20.7418 k = 0.5000 0.3393 0.3185 ( 2660 PWs) bands (ev): -11.3213 -11.3213 -11.3189 -11.3189 -10.9974 -10.9974 -10.9920 -10.9920 -10.1432 -10.1432 -10.1395 -10.1395 -10.0207 -10.0207 -10.0088 -10.0088 -9.7035 -9.7035 -9.6987 -9.6987 -7.2762 -7.2762 -7.2721 -7.2721 -5.9274 -5.9274 -5.9254 -5.9254 1.7148 1.7148 1.7176 1.7176 4.6929 4.6929 4.6974 4.6974 7.0592 7.0592 7.1136 7.1136 7.4713 7.4713 7.5204 7.5204 8.8017 8.8017 8.8024 8.8024 8.9284 8.9284 8.9291 8.9291 14.7106 14.7106 14.7193 14.7193 18.7417 18.7417 18.7565 18.7565 20.7541 20.7541 k = 0.5000 0.3393 0.3285 ( 2660 PWs) bands (ev): -11.3191 -11.3191 -11.3179 -11.3179 -10.9977 -10.9977 -10.9950 -10.9950 -10.1422 -10.1422 -10.1403 -10.1403 -10.0187 -10.0187 -10.0128 -10.0128 -9.7023 -9.7023 -9.6999 -9.6999 -7.2712 -7.2712 -7.2692 -7.2692 -5.9297 -5.9297 -5.9286 -5.9286 1.7111 1.7111 1.7125 1.7125 4.6920 4.6920 4.6943 4.6943 7.1361 7.1361 7.1762 7.1762 7.4124 7.4124 7.4498 7.4498 8.8044 8.8044 8.8048 8.8048 8.9305 8.9305 8.9309 8.9309 14.7059 14.7059 14.7102 14.7102 18.7461 18.7461 18.7534 18.7534 20.7662 20.7662 k = 0.5000 0.3393 0.3385 ( 2664 PWs) bands (ev): -11.3180 -11.3180 -11.3180 -11.3180 -10.9969 -10.9969 -10.9969 -10.9969 -10.1412 -10.1412 -10.1412 -10.1412 -10.0161 -10.0161 -10.0161 -10.0161 -9.7011 -9.7011 -9.7011 -9.7011 -7.2689 -7.2689 -7.2689 -7.2689 -5.9301 -5.9301 -5.9301 -5.9301 1.7103 1.7103 1.7103 1.7103 4.6925 4.6925 4.6925 4.6925 7.1874 7.1874 7.1874 7.1874 7.4015 7.4015 7.4015 7.4015 8.8055 8.8055 8.8055 8.8055 8.9314 8.9314 8.9314 8.9314 14.7058 14.7058 14.7058 14.7058 18.7499 18.7499 18.7499 18.7499 20.7775 20.7775 Writing output data file SnO2.save init_run : 0.32s CPU 0.60s WALL ( 1 calls) electrons : 682.29s CPU 686.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 682.28s CPU 686.94s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 484 calls) cegterg : 660.69s CPU 664.87s WALL ( 1801 calls) Called by sum_band: Called by *egterg: h_psi : 277.43s CPU 293.85s WALL ( 34422 calls) s_psi : 22.06s CPU 22.56s WALL ( 34422 calls) g_psi : 0.49s CPU 0.61s WALL ( 32137 calls) cdiaghg : 302.31s CPU 291.08s WALL ( 32621 calls) cegterg:over : 27.59s CPU 25.50s WALL ( 32137 calls) cegterg:upda : 6.61s CPU 11.91s WALL ( 32137 calls) cegterg:last : 6.37s CPU 7.68s WALL ( 3253 calls) Called by h_psi: h_psi:vloc : 248.05s CPU 262.48s WALL ( 34422 calls) h_psi:vnl : 29.16s CPU 30.85s WALL ( 34422 calls) add_vuspsi : 12.20s CPU 15.80s WALL ( 34422 calls) General routines calbec : 16.90s CPU 14.97s WALL ( 34422 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 240.21s CPU 252.03s WALL ( 2384876 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.18s WALL ( 968 calls) Parallel routines fft_scatter : 173.83s CPU 172.60s WALL ( 2384899 calls) PWSCF : 11m56.58s CPU 12m14.94s WALL This run was terminated on: 16:33:52 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=