Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:39:21 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: ./NiF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 39 24 7 1339 663 111 Max 40 25 8 1346 677 116 Sum 1265 797 239 42923 21397 3617 bravais-lattice index = 14 lattice parameter (alat) = 5.7920 a.u. unit-cell volume = 449.8940 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.792010 celldm(2)= 1.487765 celldm(3)= 1.556281 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 1.487765 0.000000 ) a(3) = ( 0.000000 0.000000 1.556281 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.672149 -0.000000 ) b(3) = ( 0.000000 0.000000 0.642558 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 F 7.00 18.99840 F( 1.00) Ni 10.00 58.69340 Ni( 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 ) ( -0.7438825 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7781403 ) 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 ) ( -0.7438825 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7781403 ) 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 ) ( -0.7438825 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7781403 ) 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 ) ( -0.7438825 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7781403 ) 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= 492 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 2) = ( 0.0096154 -0.0000000 -0.0000000), wk = 0.0020325 k( 3) = ( 0.0192308 -0.0000000 -0.0000000), wk = 0.0020325 k( 4) = ( 0.0288462 -0.0000000 -0.0000000), wk = 0.0020325 k( 5) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0020325 k( 6) = ( 0.0480769 -0.0000000 -0.0000000), wk = 0.0020325 k( 7) = ( 0.0576923 -0.0000000 -0.0000000), wk = 0.0020325 k( 8) = ( 0.0673077 -0.0000000 -0.0000000), wk = 0.0020325 k( 9) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0020325 k( 10) = ( 0.0865385 -0.0000000 -0.0000000), wk = 0.0020325 k( 11) = ( 0.0961538 -0.0000000 -0.0000000), wk = 0.0020325 k( 12) = ( 0.1057692 -0.0000000 -0.0000000), wk = 0.0020325 k( 13) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0020325 k( 14) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0020325 k( 15) = ( 0.1346154 -0.0000000 -0.0000000), wk = 0.0020325 k( 16) = ( 0.1442308 -0.0000000 -0.0000000), wk = 0.0020325 k( 17) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0020325 k( 18) = ( 0.1634615 -0.0000000 -0.0000000), wk = 0.0020325 k( 19) = ( 0.1730769 -0.0000000 -0.0000000), wk = 0.0020325 k( 20) = ( 0.1826923 -0.0000000 -0.0000000), wk = 0.0020325 k( 21) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0020325 k( 22) = ( 0.2019231 -0.0000000 -0.0000000), wk = 0.0020325 k( 23) = ( 0.2115385 -0.0000000 -0.0000000), wk = 0.0020325 k( 24) = ( 0.2211539 -0.0000000 -0.0000000), wk = 0.0020325 k( 25) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0020325 k( 26) = ( 0.2403846 -0.0000000 -0.0000000), wk = 0.0020325 k( 27) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0020325 k( 28) = ( 0.2596154 -0.0000000 -0.0000000), wk = 0.0020325 k( 29) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0020325 k( 30) = ( 0.2788462 -0.0000000 -0.0000000), wk = 0.0020325 k( 31) = ( 0.2884615 -0.0000000 -0.0000000), wk = 0.0020325 k( 32) = ( 0.2980769 -0.0000000 -0.0000000), wk = 0.0020325 k( 33) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0020325 k( 34) = ( 0.3173077 -0.0000000 -0.0000000), wk = 0.0020325 k( 35) = ( 0.3269231 -0.0000000 -0.0000000), wk = 0.0020325 k( 36) = ( 0.3365385 -0.0000000 -0.0000000), wk = 0.0020325 k( 37) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0020325 k( 38) = ( 0.3557692 -0.0000000 -0.0000000), wk = 0.0020325 k( 39) = ( 0.3653846 -0.0000000 -0.0000000), wk = 0.0020325 k( 40) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0020325 k( 41) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0020325 k( 42) = ( 0.3942308 -0.0000000 -0.0000000), wk = 0.0020325 k( 43) = ( 0.4038462 -0.0000000 -0.0000000), wk = 0.0020325 k( 44) = ( 0.4134615 -0.0000000 -0.0000000), wk = 0.0020325 k( 45) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0020325 k( 46) = ( 0.4326923 -0.0000000 -0.0000000), wk = 0.0020325 k( 47) = ( 0.4423077 -0.0000000 -0.0000000), wk = 0.0020325 k( 48) = ( 0.4519231 -0.0000000 -0.0000000), wk = 0.0020325 k( 49) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0020325 k( 50) = ( 0.4711538 -0.0000000 -0.0000000), wk = 0.0020325 k( 51) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0020325 k( 52) = ( 0.4903846 -0.0000000 -0.0000000), wk = 0.0020325 k( 53) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020325 k( 54) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020325 k( 55) = ( 0.5000000 0.0096021 -0.0000000), wk = 0.0020325 k( 56) = ( 0.5000000 0.0192043 -0.0000000), wk = 0.0020325 k( 57) = ( 0.5000000 0.0288064 -0.0000000), wk = 0.0020325 k( 58) = ( 0.5000000 0.0384085 -0.0000000), wk = 0.0020325 k( 59) = ( 0.5000000 0.0480107 -0.0000000), wk = 0.0020325 k( 60) = ( 0.5000000 0.0576128 -0.0000000), wk = 0.0020325 k( 61) = ( 0.5000000 0.0672149 -0.0000000), wk = 0.0020325 k( 62) = ( 0.5000000 0.0768170 -0.0000000), wk = 0.0020325 k( 63) = ( 0.5000000 0.0864192 -0.0000000), wk = 0.0020325 k( 64) = ( 0.5000000 0.0960213 -0.0000000), wk = 0.0020325 k( 65) = ( 0.5000000 0.1056234 -0.0000000), wk = 0.0020325 k( 66) = ( 0.5000000 0.1152256 -0.0000000), wk = 0.0020325 k( 67) = ( 0.5000000 0.1248277 -0.0000000), wk = 0.0020325 k( 68) = ( 0.5000000 0.1344298 -0.0000000), wk = 0.0020325 k( 69) = ( 0.5000000 0.1440320 -0.0000000), wk = 0.0020325 k( 70) = ( 0.5000000 0.1536341 -0.0000000), wk = 0.0020325 k( 71) = ( 0.5000000 0.1632362 -0.0000000), wk = 0.0020325 k( 72) = ( 0.5000000 0.1728383 -0.0000000), wk = 0.0020325 k( 73) = ( 0.5000000 0.1824405 -0.0000000), wk = 0.0020325 k( 74) = ( 0.5000000 0.1920426 -0.0000000), wk = 0.0020325 k( 75) = ( 0.5000000 0.2016447 -0.0000000), wk = 0.0020325 k( 76) = ( 0.5000000 0.2112469 -0.0000000), wk = 0.0020325 k( 77) = ( 0.5000000 0.2208490 -0.0000000), wk = 0.0020325 k( 78) = ( 0.5000000 0.2304511 -0.0000000), wk = 0.0020325 k( 79) = ( 0.5000000 0.2400533 -0.0000000), wk = 0.0020325 k( 80) = ( 0.5000000 0.2496554 -0.0000000), wk = 0.0020325 k( 81) = ( 0.5000000 0.2592575 -0.0000000), wk = 0.0020325 k( 82) = ( 0.5000000 0.2688596 -0.0000000), wk = 0.0020325 k( 83) = ( 0.5000000 0.2784618 -0.0000000), wk = 0.0020325 k( 84) = ( 0.5000000 0.2880639 -0.0000000), wk = 0.0020325 k( 85) = ( 0.5000000 0.2976660 -0.0000000), wk = 0.0020325 k( 86) = ( 0.5000000 0.3072682 -0.0000000), wk = 0.0020325 k( 87) = ( 0.5000000 0.3168703 -0.0000000), wk = 0.0020325 k( 88) = ( 0.5000000 0.3264724 -0.0000000), wk = 0.0020325 k( 89) = ( 0.5000000 0.3360746 -0.0000000), wk = 0.0020325 k( 90) = ( 0.5000000 0.3360746 -0.0000000), wk = 0.0020325 k( 91) = ( 0.4903846 0.3360746 -0.0000000), wk = 0.0020325 k( 92) = ( 0.4807692 0.3360746 -0.0000000), wk = 0.0020325 k( 93) = ( 0.4711538 0.3360746 -0.0000000), wk = 0.0020325 k( 94) = ( 0.4615385 0.3360746 -0.0000000), wk = 0.0020325 k( 95) = ( 0.4519231 0.3360746 -0.0000000), wk = 0.0020325 k( 96) = ( 0.4423077 0.3360746 -0.0000000), wk = 0.0020325 k( 97) = ( 0.4326923 0.3360746 -0.0000000), wk = 0.0020325 k( 98) = ( 0.4230769 0.3360746 -0.0000000), wk = 0.0020325 k( 99) = ( 0.4134615 0.3360746 -0.0000000), wk = 0.0020325 k( 100) = ( 0.4038462 0.3360746 -0.0000000), wk = 0.0020325 k( 101) = ( 0.3942308 0.3360746 -0.0000000), wk = 0.0020325 k( 102) = ( 0.3846154 0.3360746 -0.0000000), wk = 0.0020325 k( 103) = ( 0.3750000 0.3360746 -0.0000000), wk = 0.0020325 k( 104) = ( 0.3653846 0.3360746 -0.0000000), wk = 0.0020325 k( 105) = ( 0.3557692 0.3360746 -0.0000000), wk = 0.0020325 k( 106) = ( 0.3461538 0.3360746 -0.0000000), wk = 0.0020325 k( 107) = ( 0.3365385 0.3360746 -0.0000000), wk = 0.0020325 k( 108) = ( 0.3269231 0.3360746 -0.0000000), wk = 0.0020325 k( 109) = ( 0.3173077 0.3360746 -0.0000000), wk = 0.0020325 k( 110) = ( 0.3076923 0.3360746 -0.0000000), wk = 0.0020325 k( 111) = ( 0.2980769 0.3360746 -0.0000000), wk = 0.0020325 k( 112) = ( 0.2884615 0.3360746 -0.0000000), wk = 0.0020325 k( 113) = ( 0.2788462 0.3360746 -0.0000000), wk = 0.0020325 k( 114) = ( 0.2692308 0.3360746 -0.0000000), wk = 0.0020325 k( 115) = ( 0.2596154 0.3360746 -0.0000000), wk = 0.0020325 k( 116) = ( 0.2500000 0.3360746 -0.0000000), wk = 0.0020325 k( 117) = ( 0.2403846 0.3360746 -0.0000000), wk = 0.0020325 k( 118) = ( 0.2307692 0.3360746 -0.0000000), wk = 0.0020325 k( 119) = ( 0.2211539 0.3360746 -0.0000000), wk = 0.0020325 k( 120) = ( 0.2115385 0.3360746 -0.0000000), wk = 0.0020325 k( 121) = ( 0.2019231 0.3360746 -0.0000000), wk = 0.0020325 k( 122) = ( 0.1923077 0.3360746 -0.0000000), wk = 0.0020325 k( 123) = ( 0.1826923 0.3360746 -0.0000000), wk = 0.0020325 k( 124) = ( 0.1730769 0.3360746 -0.0000000), wk = 0.0020325 k( 125) = ( 0.1634615 0.3360746 -0.0000000), wk = 0.0020325 k( 126) = ( 0.1538461 0.3360746 -0.0000000), wk = 0.0020325 k( 127) = ( 0.1442308 0.3360746 -0.0000000), wk = 0.0020325 k( 128) = ( 0.1346154 0.3360746 -0.0000000), wk = 0.0020325 k( 129) = ( 0.1250000 0.3360746 -0.0000000), wk = 0.0020325 k( 130) = ( 0.1153846 0.3360746 -0.0000000), wk = 0.0020325 k( 131) = ( 0.1057692 0.3360746 -0.0000000), wk = 0.0020325 k( 132) = ( 0.0961538 0.3360746 -0.0000000), wk = 0.0020325 k( 133) = ( 0.0865385 0.3360746 -0.0000000), wk = 0.0020325 k( 134) = ( 0.0769231 0.3360746 -0.0000000), wk = 0.0020325 k( 135) = ( 0.0673077 0.3360746 -0.0000000), wk = 0.0020325 k( 136) = ( 0.0576923 0.3360746 -0.0000000), wk = 0.0020325 k( 137) = ( 0.0480769 0.3360746 -0.0000000), wk = 0.0020325 k( 138) = ( 0.0384615 0.3360746 -0.0000000), wk = 0.0020325 k( 139) = ( 0.0288462 0.3360746 -0.0000000), wk = 0.0020325 k( 140) = ( 0.0192308 0.3360746 -0.0000000), wk = 0.0020325 k( 141) = ( 0.0096154 0.3360746 -0.0000000), wk = 0.0020325 k( 142) = ( 0.0000000 0.3360746 -0.0000000), wk = 0.0020325 k( 143) = ( 0.0000000 0.3360746 -0.0000000), wk = 0.0020325 k( 144) = ( 0.0000000 0.3264724 -0.0000000), wk = 0.0020325 k( 145) = ( 0.0000000 0.3168703 -0.0000000), wk = 0.0020325 k( 146) = ( 0.0000000 0.3072682 -0.0000000), wk = 0.0020325 k( 147) = ( 0.0000000 0.2976660 -0.0000000), wk = 0.0020325 k( 148) = ( 0.0000000 0.2880639 -0.0000000), wk = 0.0020325 k( 149) = ( 0.0000000 0.2784618 -0.0000000), wk = 0.0020325 k( 150) = ( 0.0000000 0.2688596 -0.0000000), wk = 0.0020325 k( 151) = ( 0.0000000 0.2592575 -0.0000000), wk = 0.0020325 k( 152) = ( 0.0000000 0.2496554 -0.0000000), wk = 0.0020325 k( 153) = ( 0.0000000 0.2400533 -0.0000000), wk = 0.0020325 k( 154) = ( 0.0000000 0.2304511 -0.0000000), wk = 0.0020325 k( 155) = ( 0.0000000 0.2208490 -0.0000000), wk = 0.0020325 k( 156) = ( 0.0000000 0.2112469 -0.0000000), wk = 0.0020325 k( 157) = ( 0.0000000 0.2016447 -0.0000000), wk = 0.0020325 k( 158) = ( 0.0000000 0.1920426 -0.0000000), wk = 0.0020325 k( 159) = ( 0.0000000 0.1824405 -0.0000000), wk = 0.0020325 k( 160) = ( 0.0000000 0.1728383 -0.0000000), wk = 0.0020325 k( 161) = ( 0.0000000 0.1632362 -0.0000000), wk = 0.0020325 k( 162) = ( 0.0000000 0.1536341 -0.0000000), wk = 0.0020325 k( 163) = ( 0.0000000 0.1440320 -0.0000000), wk = 0.0020325 k( 164) = ( 0.0000000 0.1344298 -0.0000000), wk = 0.0020325 k( 165) = ( 0.0000000 0.1248277 -0.0000000), wk = 0.0020325 k( 166) = ( 0.0000000 0.1152256 -0.0000000), wk = 0.0020325 k( 167) = ( 0.0000000 0.1056234 -0.0000000), wk = 0.0020325 k( 168) = ( 0.0000000 0.0960213 -0.0000000), wk = 0.0020325 k( 169) = ( 0.0000000 0.0864192 -0.0000000), wk = 0.0020325 k( 170) = ( 0.0000000 0.0768170 -0.0000000), wk = 0.0020325 k( 171) = ( 0.0000000 0.0672149 -0.0000000), wk = 0.0020325 k( 172) = ( 0.0000000 0.0576128 -0.0000000), wk = 0.0020325 k( 173) = ( 0.0000000 0.0480107 -0.0000000), wk = 0.0020325 k( 174) = ( 0.0000000 0.0384085 -0.0000000), wk = 0.0020325 k( 175) = ( 0.0000000 0.0288064 -0.0000000), wk = 0.0020325 k( 176) = ( 0.0000000 0.0192043 -0.0000000), wk = 0.0020325 k( 177) = ( 0.0000000 0.0096021 -0.0000000), wk = 0.0020325 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 180) = ( 0.0000000 0.0000000 0.0097357), wk = 0.0020325 k( 181) = ( 0.0000000 0.0000000 0.0194714), wk = 0.0020325 k( 182) = ( 0.0000000 0.0000000 0.0292072), wk = 0.0020325 k( 183) = ( 0.0000000 0.0000000 0.0389429), wk = 0.0020325 k( 184) = ( 0.0000000 0.0000000 0.0486786), wk = 0.0020325 k( 185) = ( 0.0000000 0.0000000 0.0584143), wk = 0.0020325 k( 186) = ( 0.0000000 0.0000000 0.0681501), wk = 0.0020325 k( 187) = ( 0.0000000 0.0000000 0.0778858), wk = 0.0020325 k( 188) = ( 0.0000000 0.0000000 0.0876215), wk = 0.0020325 k( 189) = ( 0.0000000 0.0000000 0.0973572), wk = 0.0020325 k( 190) = ( 0.0000000 0.0000000 0.1070929), wk = 0.0020325 k( 191) = ( 0.0000000 0.0000000 0.1168287), wk = 0.0020325 k( 192) = ( 0.0000000 0.0000000 0.1265644), wk = 0.0020325 k( 193) = ( 0.0000000 0.0000000 0.1363001), wk = 0.0020325 k( 194) = ( 0.0000000 0.0000000 0.1460358), wk = 0.0020325 k( 195) = ( 0.0000000 0.0000000 0.1557716), wk = 0.0020325 k( 196) = ( 0.0000000 0.0000000 0.1655073), wk = 0.0020325 k( 197) = ( 0.0000000 0.0000000 0.1752430), wk = 0.0020325 k( 198) = ( 0.0000000 0.0000000 0.1849787), wk = 0.0020325 k( 199) = ( 0.0000000 0.0000000 0.1947144), wk = 0.0020325 k( 200) = ( 0.0000000 0.0000000 0.2044502), wk = 0.0020325 k( 201) = ( 0.0000000 0.0000000 0.2141859), wk = 0.0020325 k( 202) = ( 0.0000000 0.0000000 0.2239216), wk = 0.0020325 k( 203) = ( 0.0000000 0.0000000 0.2336573), wk = 0.0020325 k( 204) = ( 0.0000000 0.0000000 0.2433931), wk = 0.0020325 k( 205) = ( 0.0000000 0.0000000 0.2531288), wk = 0.0020325 k( 206) = ( 0.0000000 0.0000000 0.2628645), wk = 0.0020325 k( 207) = ( 0.0000000 0.0000000 0.2726002), wk = 0.0020325 k( 208) = ( 0.0000000 0.0000000 0.2823359), wk = 0.0020325 k( 209) = ( 0.0000000 0.0000000 0.2920717), wk = 0.0020325 k( 210) = ( 0.0000000 0.0000000 0.3018074), wk = 0.0020325 k( 211) = ( 0.0000000 0.0000000 0.3115431), wk = 0.0020325 k( 212) = ( 0.0000000 0.0000000 0.3212788), wk = 0.0020325 k( 213) = ( 0.0000000 0.0000000 0.3212788), wk = 0.0020325 k( 214) = ( 0.0096154 -0.0000000 0.3212788), wk = 0.0020325 k( 215) = ( 0.0192308 -0.0000000 0.3212788), wk = 0.0020325 k( 216) = ( 0.0288462 -0.0000000 0.3212788), wk = 0.0020325 k( 217) = ( 0.0384615 -0.0000000 0.3212788), wk = 0.0020325 k( 218) = ( 0.0480769 -0.0000000 0.3212788), wk = 0.0020325 k( 219) = ( 0.0576923 -0.0000000 0.3212788), wk = 0.0020325 k( 220) = ( 0.0673077 -0.0000000 0.3212788), wk = 0.0020325 k( 221) = ( 0.0769231 -0.0000000 0.3212788), wk = 0.0020325 k( 222) = ( 0.0865385 -0.0000000 0.3212788), wk = 0.0020325 k( 223) = ( 0.0961538 -0.0000000 0.3212788), wk = 0.0020325 k( 224) = ( 0.1057692 -0.0000000 0.3212788), wk = 0.0020325 k( 225) = ( 0.1153846 -0.0000000 0.3212788), wk = 0.0020325 k( 226) = ( 0.1250000 -0.0000000 0.3212788), wk = 0.0020325 k( 227) = ( 0.1346154 -0.0000000 0.3212788), wk = 0.0020325 k( 228) = ( 0.1442308 -0.0000000 0.3212788), wk = 0.0020325 k( 229) = ( 0.1538461 -0.0000000 0.3212788), wk = 0.0020325 k( 230) = ( 0.1634615 -0.0000000 0.3212788), wk = 0.0020325 k( 231) = ( 0.1730769 -0.0000000 0.3212788), wk = 0.0020325 k( 232) = ( 0.1826923 -0.0000000 0.3212788), wk = 0.0020325 k( 233) = ( 0.1923077 -0.0000000 0.3212788), wk = 0.0020325 k( 234) = ( 0.2019231 -0.0000000 0.3212788), wk = 0.0020325 k( 235) = ( 0.2115385 -0.0000000 0.3212788), wk = 0.0020325 k( 236) = ( 0.2211539 -0.0000000 0.3212788), wk = 0.0020325 k( 237) = ( 0.2307692 -0.0000000 0.3212788), wk = 0.0020325 k( 238) = ( 0.2403846 -0.0000000 0.3212788), wk = 0.0020325 k( 239) = ( 0.2500000 -0.0000000 0.3212788), wk = 0.0020325 k( 240) = ( 0.2596154 -0.0000000 0.3212788), wk = 0.0020325 k( 241) = ( 0.2692308 -0.0000000 0.3212788), wk = 0.0020325 k( 242) = ( 0.2788462 -0.0000000 0.3212788), wk = 0.0020325 k( 243) = ( 0.2884615 -0.0000000 0.3212788), wk = 0.0020325 k( 244) = ( 0.2980769 -0.0000000 0.3212788), wk = 0.0020325 k( 245) = ( 0.3076923 -0.0000000 0.3212788), wk = 0.0020325 k( 246) = ( 0.3173077 -0.0000000 0.3212788), wk = 0.0020325 k( 247) = ( 0.3269231 -0.0000000 0.3212788), wk = 0.0020325 k( 248) = ( 0.3365385 -0.0000000 0.3212788), wk = 0.0020325 k( 249) = ( 0.3461538 -0.0000000 0.3212788), wk = 0.0020325 k( 250) = ( 0.3557692 -0.0000000 0.3212788), wk = 0.0020325 k( 251) = ( 0.3653846 -0.0000000 0.3212788), wk = 0.0020325 k( 252) = ( 0.3750000 -0.0000000 0.3212788), wk = 0.0020325 k( 253) = ( 0.3846154 -0.0000000 0.3212788), wk = 0.0020325 k( 254) = ( 0.3942308 -0.0000000 0.3212788), wk = 0.0020325 k( 255) = ( 0.4038462 -0.0000000 0.3212788), wk = 0.0020325 k( 256) = ( 0.4134615 -0.0000000 0.3212788), wk = 0.0020325 k( 257) = ( 0.4230769 -0.0000000 0.3212788), wk = 0.0020325 k( 258) = ( 0.4326923 -0.0000000 0.3212788), wk = 0.0020325 k( 259) = ( 0.4423077 -0.0000000 0.3212788), wk = 0.0020325 k( 260) = ( 0.4519231 -0.0000000 0.3212788), wk = 0.0020325 k( 261) = ( 0.4615385 -0.0000000 0.3212788), wk = 0.0020325 k( 262) = ( 0.4711538 -0.0000000 0.3212788), wk = 0.0020325 k( 263) = ( 0.4807692 -0.0000000 0.3212788), wk = 0.0020325 k( 264) = ( 0.4903846 -0.0000000 0.3212788), wk = 0.0020325 k( 265) = ( 0.5000000 -0.0000000 0.3212788), wk = 0.0020325 k( 266) = ( 0.5000000 -0.0000000 0.3212788), wk = 0.0020325 k( 267) = ( 0.5000000 0.0096021 0.3212788), wk = 0.0020325 k( 268) = ( 0.5000000 0.0192043 0.3212788), wk = 0.0020325 k( 269) = ( 0.5000000 0.0288064 0.3212788), wk = 0.0020325 k( 270) = ( 0.5000000 0.0384085 0.3212788), wk = 0.0020325 k( 271) = ( 0.5000000 0.0480107 0.3212788), wk = 0.0020325 k( 272) = ( 0.5000000 0.0576128 0.3212788), wk = 0.0020325 k( 273) = ( 0.5000000 0.0672149 0.3212788), wk = 0.0020325 k( 274) = ( 0.5000000 0.0768170 0.3212788), wk = 0.0020325 k( 275) = ( 0.5000000 0.0864192 0.3212788), wk = 0.0020325 k( 276) = ( 0.5000000 0.0960213 0.3212788), wk = 0.0020325 k( 277) = ( 0.5000000 0.1056234 0.3212788), wk = 0.0020325 k( 278) = ( 0.5000000 0.1152256 0.3212788), wk = 0.0020325 k( 279) = ( 0.5000000 0.1248277 0.3212788), wk = 0.0020325 k( 280) = ( 0.5000000 0.1344298 0.3212788), wk = 0.0020325 k( 281) = ( 0.5000000 0.1440320 0.3212788), wk = 0.0020325 k( 282) = ( 0.5000000 0.1536341 0.3212788), wk = 0.0020325 k( 283) = ( 0.5000000 0.1632362 0.3212788), wk = 0.0020325 k( 284) = ( 0.5000000 0.1728383 0.3212788), wk = 0.0020325 k( 285) = ( 0.5000000 0.1824405 0.3212788), wk = 0.0020325 k( 286) = ( 0.5000000 0.1920426 0.3212788), wk = 0.0020325 k( 287) = ( 0.5000000 0.2016447 0.3212788), wk = 0.0020325 k( 288) = ( 0.5000000 0.2112469 0.3212788), wk = 0.0020325 k( 289) = ( 0.5000000 0.2208490 0.3212788), wk = 0.0020325 k( 290) = ( 0.5000000 0.2304511 0.3212788), wk = 0.0020325 k( 291) = ( 0.5000000 0.2400533 0.3212788), wk = 0.0020325 k( 292) = ( 0.5000000 0.2496554 0.3212788), wk = 0.0020325 k( 293) = ( 0.5000000 0.2592575 0.3212788), wk = 0.0020325 k( 294) = ( 0.5000000 0.2688596 0.3212788), wk = 0.0020325 k( 295) = ( 0.5000000 0.2784618 0.3212788), wk = 0.0020325 k( 296) = ( 0.5000000 0.2880639 0.3212788), wk = 0.0020325 k( 297) = ( 0.5000000 0.2976660 0.3212788), wk = 0.0020325 k( 298) = ( 0.5000000 0.3072682 0.3212788), wk = 0.0020325 k( 299) = ( 0.5000000 0.3168703 0.3212788), wk = 0.0020325 k( 300) = ( 0.5000000 0.3264724 0.3212788), wk = 0.0020325 k( 301) = ( 0.5000000 0.3360746 0.3212788), wk = 0.0020325 k( 302) = ( 0.5000000 0.3360746 0.3212788), wk = 0.0020325 k( 303) = ( 0.4903846 0.3360746 0.3212788), wk = 0.0020325 k( 304) = ( 0.4807692 0.3360746 0.3212788), wk = 0.0020325 k( 305) = ( 0.4711538 0.3360746 0.3212788), wk = 0.0020325 k( 306) = ( 0.4615385 0.3360746 0.3212788), wk = 0.0020325 k( 307) = ( 0.4519231 0.3360746 0.3212788), wk = 0.0020325 k( 308) = ( 0.4423077 0.3360746 0.3212788), wk = 0.0020325 k( 309) = ( 0.4326923 0.3360746 0.3212788), wk = 0.0020325 k( 310) = ( 0.4230769 0.3360746 0.3212788), wk = 0.0020325 k( 311) = ( 0.4134615 0.3360746 0.3212788), wk = 0.0020325 k( 312) = ( 0.4038462 0.3360746 0.3212788), wk = 0.0020325 k( 313) = ( 0.3942308 0.3360746 0.3212788), wk = 0.0020325 k( 314) = ( 0.3846154 0.3360746 0.3212788), wk = 0.0020325 k( 315) = ( 0.3750000 0.3360746 0.3212788), wk = 0.0020325 k( 316) = ( 0.3653846 0.3360746 0.3212788), wk = 0.0020325 k( 317) = ( 0.3557692 0.3360746 0.3212788), wk = 0.0020325 k( 318) = ( 0.3461538 0.3360746 0.3212788), wk = 0.0020325 k( 319) = ( 0.3365385 0.3360746 0.3212788), wk = 0.0020325 k( 320) = ( 0.3269231 0.3360746 0.3212788), wk = 0.0020325 k( 321) = ( 0.3173077 0.3360746 0.3212788), wk = 0.0020325 k( 322) = ( 0.3076923 0.3360746 0.3212788), wk = 0.0020325 k( 323) = ( 0.2980769 0.3360746 0.3212788), wk = 0.0020325 k( 324) = ( 0.2884615 0.3360746 0.3212788), wk = 0.0020325 k( 325) = ( 0.2788462 0.3360746 0.3212788), wk = 0.0020325 k( 326) = ( 0.2692308 0.3360746 0.3212788), wk = 0.0020325 k( 327) = ( 0.2596154 0.3360746 0.3212788), wk = 0.0020325 k( 328) = ( 0.2500000 0.3360746 0.3212788), wk = 0.0020325 k( 329) = ( 0.2403846 0.3360746 0.3212788), wk = 0.0020325 k( 330) = ( 0.2307692 0.3360746 0.3212788), wk = 0.0020325 k( 331) = ( 0.2211539 0.3360746 0.3212788), wk = 0.0020325 k( 332) = ( 0.2115385 0.3360746 0.3212788), wk = 0.0020325 k( 333) = ( 0.2019231 0.3360746 0.3212788), wk = 0.0020325 k( 334) = ( 0.1923077 0.3360746 0.3212788), wk = 0.0020325 k( 335) = ( 0.1826923 0.3360746 0.3212788), wk = 0.0020325 k( 336) = ( 0.1730769 0.3360746 0.3212788), wk = 0.0020325 k( 337) = ( 0.1634615 0.3360746 0.3212788), wk = 0.0020325 k( 338) = ( 0.1538461 0.3360746 0.3212788), wk = 0.0020325 k( 339) = ( 0.1442308 0.3360746 0.3212788), wk = 0.0020325 k( 340) = ( 0.1346154 0.3360746 0.3212788), wk = 0.0020325 k( 341) = ( 0.1250000 0.3360746 0.3212788), wk = 0.0020325 k( 342) = ( 0.1153846 0.3360746 0.3212788), wk = 0.0020325 k( 343) = ( 0.1057692 0.3360746 0.3212788), wk = 0.0020325 k( 344) = ( 0.0961538 0.3360746 0.3212788), wk = 0.0020325 k( 345) = ( 0.0865385 0.3360746 0.3212788), wk = 0.0020325 k( 346) = ( 0.0769231 0.3360746 0.3212788), wk = 0.0020325 k( 347) = ( 0.0673077 0.3360746 0.3212788), wk = 0.0020325 k( 348) = ( 0.0576923 0.3360746 0.3212788), wk = 0.0020325 k( 349) = ( 0.0480769 0.3360746 0.3212788), wk = 0.0020325 k( 350) = ( 0.0384615 0.3360746 0.3212788), wk = 0.0020325 k( 351) = ( 0.0288462 0.3360746 0.3212788), wk = 0.0020325 k( 352) = ( 0.0192308 0.3360746 0.3212788), wk = 0.0020325 k( 353) = ( 0.0096154 0.3360746 0.3212788), wk = 0.0020325 k( 354) = ( 0.0000000 0.3360746 0.3212788), wk = 0.0020325 k( 355) = ( 0.0000000 0.3360746 0.3212788), wk = 0.0020325 k( 356) = ( 0.0000000 0.3264724 0.3212788), wk = 0.0020325 k( 357) = ( 0.0000000 0.3168703 0.3212788), wk = 0.0020325 k( 358) = ( 0.0000000 0.3072682 0.3212788), wk = 0.0020325 k( 359) = ( 0.0000000 0.2976660 0.3212788), wk = 0.0020325 k( 360) = ( 0.0000000 0.2880639 0.3212788), wk = 0.0020325 k( 361) = ( 0.0000000 0.2784618 0.3212788), wk = 0.0020325 k( 362) = ( 0.0000000 0.2688596 0.3212788), wk = 0.0020325 k( 363) = ( 0.0000000 0.2592575 0.3212788), wk = 0.0020325 k( 364) = ( 0.0000000 0.2496554 0.3212788), wk = 0.0020325 k( 365) = ( 0.0000000 0.2400533 0.3212788), wk = 0.0020325 k( 366) = ( 0.0000000 0.2304511 0.3212788), wk = 0.0020325 k( 367) = ( 0.0000000 0.2208490 0.3212788), wk = 0.0020325 k( 368) = ( 0.0000000 0.2112469 0.3212788), wk = 0.0020325 k( 369) = ( 0.0000000 0.2016447 0.3212788), wk = 0.0020325 k( 370) = ( 0.0000000 0.1920426 0.3212788), wk = 0.0020325 k( 371) = ( 0.0000000 0.1824405 0.3212788), wk = 0.0020325 k( 372) = ( 0.0000000 0.1728383 0.3212788), wk = 0.0020325 k( 373) = ( 0.0000000 0.1632362 0.3212788), wk = 0.0020325 k( 374) = ( 0.0000000 0.1536341 0.3212788), wk = 0.0020325 k( 375) = ( 0.0000000 0.1440320 0.3212788), wk = 0.0020325 k( 376) = ( 0.0000000 0.1344298 0.3212788), wk = 0.0020325 k( 377) = ( 0.0000000 0.1248277 0.3212788), wk = 0.0020325 k( 378) = ( 0.0000000 0.1152256 0.3212788), wk = 0.0020325 k( 379) = ( 0.0000000 0.1056234 0.3212788), wk = 0.0020325 k( 380) = ( 0.0000000 0.0960213 0.3212788), wk = 0.0020325 k( 381) = ( 0.0000000 0.0864192 0.3212788), wk = 0.0020325 k( 382) = ( 0.0000000 0.0768170 0.3212788), wk = 0.0020325 k( 383) = ( 0.0000000 0.0672149 0.3212788), wk = 0.0020325 k( 384) = ( 0.0000000 0.0576128 0.3212788), wk = 0.0020325 k( 385) = ( 0.0000000 0.0480107 0.3212788), wk = 0.0020325 k( 386) = ( 0.0000000 0.0384085 0.3212788), wk = 0.0020325 k( 387) = ( 0.0000000 0.0288064 0.3212788), wk = 0.0020325 k( 388) = ( 0.0000000 0.0192043 0.3212788), wk = 0.0020325 k( 389) = ( 0.0000000 0.0096021 0.3212788), wk = 0.0020325 k( 390) = ( 0.0000000 0.0000000 0.3212788), wk = 0.0020325 k( 391) = ( 0.0000000 0.3360746 -0.0000000), wk = 0.0020325 k( 392) = ( 0.0000000 0.3360746 0.0097357), wk = 0.0020325 k( 393) = ( 0.0000000 0.3360746 0.0194714), wk = 0.0020325 k( 394) = ( 0.0000000 0.3360746 0.0292072), wk = 0.0020325 k( 395) = ( 0.0000000 0.3360746 0.0389429), wk = 0.0020325 k( 396) = ( 0.0000000 0.3360746 0.0486786), wk = 0.0020325 k( 397) = ( 0.0000000 0.3360746 0.0584143), wk = 0.0020325 k( 398) = ( 0.0000000 0.3360746 0.0681501), wk = 0.0020325 k( 399) = ( 0.0000000 0.3360746 0.0778858), wk = 0.0020325 k( 400) = ( 0.0000000 0.3360746 0.0876215), wk = 0.0020325 k( 401) = ( 0.0000000 0.3360746 0.0973572), wk = 0.0020325 k( 402) = ( 0.0000000 0.3360746 0.1070929), wk = 0.0020325 k( 403) = ( 0.0000000 0.3360746 0.1168287), wk = 0.0020325 k( 404) = ( 0.0000000 0.3360746 0.1265644), wk = 0.0020325 k( 405) = ( 0.0000000 0.3360746 0.1363001), wk = 0.0020325 k( 406) = ( 0.0000000 0.3360746 0.1460358), wk = 0.0020325 k( 407) = ( 0.0000000 0.3360746 0.1557716), wk = 0.0020325 k( 408) = ( 0.0000000 0.3360746 0.1655073), wk = 0.0020325 k( 409) = ( 0.0000000 0.3360746 0.1752430), wk = 0.0020325 k( 410) = ( 0.0000000 0.3360746 0.1849787), wk = 0.0020325 k( 411) = ( 0.0000000 0.3360746 0.1947144), wk = 0.0020325 k( 412) = ( 0.0000000 0.3360746 0.2044502), wk = 0.0020325 k( 413) = ( 0.0000000 0.3360746 0.2141859), wk = 0.0020325 k( 414) = ( 0.0000000 0.3360746 0.2239216), wk = 0.0020325 k( 415) = ( 0.0000000 0.3360746 0.2336573), wk = 0.0020325 k( 416) = ( 0.0000000 0.3360746 0.2433931), wk = 0.0020325 k( 417) = ( 0.0000000 0.3360746 0.2531288), wk = 0.0020325 k( 418) = ( 0.0000000 0.3360746 0.2628645), wk = 0.0020325 k( 419) = ( 0.0000000 0.3360746 0.2726002), wk = 0.0020325 k( 420) = ( 0.0000000 0.3360746 0.2823359), wk = 0.0020325 k( 421) = ( 0.0000000 0.3360746 0.2920717), wk = 0.0020325 k( 422) = ( 0.0000000 0.3360746 0.3018074), wk = 0.0020325 k( 423) = ( 0.0000000 0.3360746 0.3115431), wk = 0.0020325 k( 424) = ( 0.0000000 0.3360746 0.3212788), wk = 0.0020325 k( 425) = ( 0.5000000 -0.0000000 0.3212788), wk = 0.0020325 k( 426) = ( 0.5000000 -0.0000000 0.3115431), wk = 0.0020325 k( 427) = ( 0.5000000 -0.0000000 0.3018074), wk = 0.0020325 k( 428) = ( 0.5000000 -0.0000000 0.2920717), wk = 0.0020325 k( 429) = ( 0.5000000 -0.0000000 0.2823359), wk = 0.0020325 k( 430) = ( 0.5000000 -0.0000000 0.2726002), wk = 0.0020325 k( 431) = ( 0.5000000 -0.0000000 0.2628645), wk = 0.0020325 k( 432) = ( 0.5000000 -0.0000000 0.2531288), wk = 0.0020325 k( 433) = ( 0.5000000 -0.0000000 0.2433931), wk = 0.0020325 k( 434) = ( 0.5000000 -0.0000000 0.2336573), wk = 0.0020325 k( 435) = ( 0.5000000 -0.0000000 0.2239216), wk = 0.0020325 k( 436) = ( 0.5000000 -0.0000000 0.2141859), wk = 0.0020325 k( 437) = ( 0.5000000 -0.0000000 0.2044502), wk = 0.0020325 k( 438) = ( 0.5000000 -0.0000000 0.1947144), wk = 0.0020325 k( 439) = ( 0.5000000 -0.0000000 0.1849787), wk = 0.0020325 k( 440) = ( 0.5000000 -0.0000000 0.1752430), wk = 0.0020325 k( 441) = ( 0.5000000 -0.0000000 0.1655073), wk = 0.0020325 k( 442) = ( 0.5000000 -0.0000000 0.1557716), wk = 0.0020325 k( 443) = ( 0.5000000 -0.0000000 0.1460358), wk = 0.0020325 k( 444) = ( 0.5000000 -0.0000000 0.1363001), wk = 0.0020325 k( 445) = ( 0.5000000 -0.0000000 0.1265644), wk = 0.0020325 k( 446) = ( 0.5000000 -0.0000000 0.1168287), wk = 0.0020325 k( 447) = ( 0.5000000 -0.0000000 0.1070929), wk = 0.0020325 k( 448) = ( 0.5000000 -0.0000000 0.0973572), wk = 0.0020325 k( 449) = ( 0.5000000 -0.0000000 0.0876215), wk = 0.0020325 k( 450) = ( 0.5000000 -0.0000000 0.0778858), wk = 0.0020325 k( 451) = ( 0.5000000 -0.0000000 0.0681501), wk = 0.0020325 k( 452) = ( 0.5000000 -0.0000000 0.0584143), wk = 0.0020325 k( 453) = ( 0.5000000 -0.0000000 0.0486786), wk = 0.0020325 k( 454) = ( 0.5000000 -0.0000000 0.0389429), wk = 0.0020325 k( 455) = ( 0.5000000 -0.0000000 0.0292072), wk = 0.0020325 k( 456) = ( 0.5000000 -0.0000000 0.0194714), wk = 0.0020325 k( 457) = ( 0.5000000 -0.0000000 0.0097357), wk = 0.0020325 k( 458) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020325 k( 459) = ( 0.5000000 0.3360746 -0.0000000), wk = 0.0020325 k( 460) = ( 0.5000000 0.3360746 0.0097357), wk = 0.0020325 k( 461) = ( 0.5000000 0.3360746 0.0194714), wk = 0.0020325 k( 462) = ( 0.5000000 0.3360746 0.0292072), wk = 0.0020325 k( 463) = ( 0.5000000 0.3360746 0.0389429), wk = 0.0020325 k( 464) = ( 0.5000000 0.3360746 0.0486786), wk = 0.0020325 k( 465) = ( 0.5000000 0.3360746 0.0584143), wk = 0.0020325 k( 466) = ( 0.5000000 0.3360746 0.0681501), wk = 0.0020325 k( 467) = ( 0.5000000 0.3360746 0.0778858), wk = 0.0020325 k( 468) = ( 0.5000000 0.3360746 0.0876215), wk = 0.0020325 k( 469) = ( 0.5000000 0.3360746 0.0973572), wk = 0.0020325 k( 470) = ( 0.5000000 0.3360746 0.1070929), wk = 0.0020325 k( 471) = ( 0.5000000 0.3360746 0.1168287), wk = 0.0020325 k( 472) = ( 0.5000000 0.3360746 0.1265644), wk = 0.0020325 k( 473) = ( 0.5000000 0.3360746 0.1363001), wk = 0.0020325 k( 474) = ( 0.5000000 0.3360746 0.1460358), wk = 0.0020325 k( 475) = ( 0.5000000 0.3360746 0.1557716), wk = 0.0020325 k( 476) = ( 0.5000000 0.3360746 0.1655073), wk = 0.0020325 k( 477) = ( 0.5000000 0.3360746 0.1752430), wk = 0.0020325 k( 478) = ( 0.5000000 0.3360746 0.1849787), wk = 0.0020325 k( 479) = ( 0.5000000 0.3360746 0.1947144), wk = 0.0020325 k( 480) = ( 0.5000000 0.3360746 0.2044502), wk = 0.0020325 k( 481) = ( 0.5000000 0.3360746 0.2141859), wk = 0.0020325 k( 482) = ( 0.5000000 0.3360746 0.2239216), wk = 0.0020325 k( 483) = ( 0.5000000 0.3360746 0.2336573), wk = 0.0020325 k( 484) = ( 0.5000000 0.3360746 0.2433931), wk = 0.0020325 k( 485) = ( 0.5000000 0.3360746 0.2531288), wk = 0.0020325 k( 486) = ( 0.5000000 0.3360746 0.2628645), wk = 0.0020325 k( 487) = ( 0.5000000 0.3360746 0.2726002), wk = 0.0020325 k( 488) = ( 0.5000000 0.3360746 0.2823359), wk = 0.0020325 k( 489) = ( 0.5000000 0.3360746 0.2920717), wk = 0.0020325 k( 490) = ( 0.5000000 0.3360746 0.3018074), wk = 0.0020325 k( 491) = ( 0.5000000 0.3360746 0.3115431), wk = 0.0020325 k( 492) = ( 0.5000000 0.3360746 0.3212788), wk = 0.0020325 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 2) = ( 0.0096154 0.0000000 0.0000000), wk = 0.0020325 k( 3) = ( 0.0192308 0.0000000 -0.0000000), wk = 0.0020325 k( 4) = ( 0.0288462 0.0000000 -0.0000000), wk = 0.0020325 k( 5) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0020325 k( 6) = ( 0.0480769 0.0000000 0.0000000), wk = 0.0020325 k( 7) = ( 0.0576923 0.0000000 -0.0000000), wk = 0.0020325 k( 8) = ( 0.0673077 0.0000000 0.0000000), wk = 0.0020325 k( 9) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0020325 k( 10) = ( 0.0865385 0.0000000 -0.0000000), wk = 0.0020325 k( 11) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0020325 k( 12) = ( 0.1057692 0.0000000 -0.0000000), wk = 0.0020325 k( 13) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0020325 k( 14) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0020325 k( 15) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0020325 k( 16) = ( 0.1442308 0.0000000 -0.0000000), wk = 0.0020325 k( 17) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0020325 k( 18) = ( 0.1634615 0.0000000 0.0000000), wk = 0.0020325 k( 19) = ( 0.1730769 0.0000000 -0.0000000), wk = 0.0020325 k( 20) = ( 0.1826923 0.0000000 0.0000000), wk = 0.0020325 k( 21) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0020325 k( 22) = ( 0.2019231 0.0000000 0.0000000), wk = 0.0020325 k( 23) = ( 0.2115385 0.0000000 -0.0000000), wk = 0.0020325 k( 24) = ( 0.2211539 0.0000000 -0.0000000), wk = 0.0020325 k( 25) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0020325 k( 26) = ( 0.2403846 0.0000000 0.0000000), wk = 0.0020325 k( 27) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0020325 k( 28) = ( 0.2596154 0.0000000 -0.0000000), wk = 0.0020325 k( 29) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0020325 k( 30) = ( 0.2788462 0.0000000 -0.0000000), wk = 0.0020325 k( 31) = ( 0.2884615 0.0000000 -0.0000000), wk = 0.0020325 k( 32) = ( 0.2980769 0.0000000 0.0000000), wk = 0.0020325 k( 33) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0020325 k( 34) = ( 0.3173077 0.0000000 0.0000000), wk = 0.0020325 k( 35) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0020325 k( 36) = ( 0.3365385 0.0000000 0.0000000), wk = 0.0020325 k( 37) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0020325 k( 38) = ( 0.3557692 0.0000000 0.0000000), wk = 0.0020325 k( 39) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0020325 k( 40) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0020325 k( 41) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0020325 k( 42) = ( 0.3942308 0.0000000 0.0000000), wk = 0.0020325 k( 43) = ( 0.4038462 0.0000000 -0.0000000), wk = 0.0020325 k( 44) = ( 0.4134615 0.0000000 -0.0000000), wk = 0.0020325 k( 45) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0020325 k( 46) = ( 0.4326923 0.0000000 -0.0000000), wk = 0.0020325 k( 47) = ( 0.4423077 0.0000000 -0.0000000), wk = 0.0020325 k( 48) = ( 0.4519231 0.0000000 0.0000000), wk = 0.0020325 k( 49) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0020325 k( 50) = ( 0.4711538 0.0000000 0.0000000), wk = 0.0020325 k( 51) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0020325 k( 52) = ( 0.4903846 0.0000000 -0.0000000), wk = 0.0020325 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020325 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020325 k( 55) = ( 0.5000000 0.0142857 0.0000000), wk = 0.0020325 k( 56) = ( 0.5000000 0.0285714 0.0000000), wk = 0.0020325 k( 57) = ( 0.5000000 0.0428571 0.0000000), wk = 0.0020325 k( 58) = ( 0.5000000 0.0571429 0.0000000), wk = 0.0020325 k( 59) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0020325 k( 60) = ( 0.5000000 0.0857143 0.0000000), wk = 0.0020325 k( 61) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0020325 k( 62) = ( 0.5000000 0.1142857 0.0000000), wk = 0.0020325 k( 63) = ( 0.5000000 0.1285714 -0.0000000), wk = 0.0020325 k( 64) = ( 0.5000000 0.1428571 0.0000000), wk = 0.0020325 k( 65) = ( 0.5000000 0.1571429 0.0000000), wk = 0.0020325 k( 66) = ( 0.5000000 0.1714286 0.0000000), wk = 0.0020325 k( 67) = ( 0.5000000 0.1857143 0.0000000), wk = 0.0020325 k( 68) = ( 0.5000000 0.2000000 -0.0000000), wk = 0.0020325 k( 69) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0020325 k( 70) = ( 0.5000000 0.2285714 -0.0000000), wk = 0.0020325 k( 71) = ( 0.5000000 0.2428571 -0.0000000), wk = 0.0020325 k( 72) = ( 0.5000000 0.2571429 -0.0000000), wk = 0.0020325 k( 73) = ( 0.5000000 0.2714286 -0.0000000), wk = 0.0020325 k( 74) = ( 0.5000000 0.2857143 -0.0000000), wk = 0.0020325 k( 75) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0020325 k( 76) = ( 0.5000000 0.3142857 0.0000000), wk = 0.0020325 k( 77) = ( 0.5000000 0.3285714 0.0000000), wk = 0.0020325 k( 78) = ( 0.5000000 0.3428571 0.0000000), wk = 0.0020325 k( 79) = ( 0.5000000 0.3571429 0.0000000), wk = 0.0020325 k( 80) = ( 0.5000000 0.3714286 -0.0000000), wk = 0.0020325 k( 81) = ( 0.5000000 0.3857143 0.0000000), wk = 0.0020325 k( 82) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0020325 k( 83) = ( 0.5000000 0.4142857 0.0000000), wk = 0.0020325 k( 84) = ( 0.5000000 0.4285714 -0.0000000), wk = 0.0020325 k( 85) = ( 0.5000000 0.4428571 0.0000000), wk = 0.0020325 k( 86) = ( 0.5000000 0.4571429 0.0000000), wk = 0.0020325 k( 87) = ( 0.5000000 0.4714286 0.0000000), wk = 0.0020325 k( 88) = ( 0.5000000 0.4857143 -0.0000000), wk = 0.0020325 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020325 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020325 k( 91) = ( 0.4903846 0.5000000 0.0000000), wk = 0.0020325 k( 92) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0020325 k( 93) = ( 0.4711538 0.5000000 -0.0000000), wk = 0.0020325 k( 94) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0020325 k( 95) = ( 0.4519231 0.5000000 0.0000000), wk = 0.0020325 k( 96) = ( 0.4423077 0.5000000 0.0000000), wk = 0.0020325 k( 97) = ( 0.4326923 0.5000000 -0.0000000), wk = 0.0020325 k( 98) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0020325 k( 99) = ( 0.4134615 0.5000000 0.0000000), wk = 0.0020325 k( 100) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0020325 k( 101) = ( 0.3942308 0.5000000 -0.0000000), wk = 0.0020325 k( 102) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0020325 k( 103) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0020325 k( 104) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0020325 k( 105) = ( 0.3557692 0.5000000 0.0000000), wk = 0.0020325 k( 106) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0020325 k( 107) = ( 0.3365385 0.5000000 -0.0000000), wk = 0.0020325 k( 108) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0020325 k( 109) = ( 0.3173077 0.5000000 0.0000000), wk = 0.0020325 k( 110) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0020325 k( 111) = ( 0.2980769 0.5000000 -0.0000000), wk = 0.0020325 k( 112) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0020325 k( 113) = ( 0.2788462 0.5000000 0.0000000), wk = 0.0020325 k( 114) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0020325 k( 115) = ( 0.2596154 0.5000000 -0.0000000), wk = 0.0020325 k( 116) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0020325 k( 117) = ( 0.2403846 0.5000000 0.0000000), wk = 0.0020325 k( 118) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0020325 k( 119) = ( 0.2211539 0.5000000 -0.0000000), wk = 0.0020325 k( 120) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0020325 k( 121) = ( 0.2019231 0.5000000 0.0000000), wk = 0.0020325 k( 122) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0020325 k( 123) = ( 0.1826923 0.5000000 -0.0000000), wk = 0.0020325 k( 124) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0020325 k( 125) = ( 0.1634615 0.5000000 -0.0000000), wk = 0.0020325 k( 126) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0020325 k( 127) = ( 0.1442308 0.5000000 -0.0000000), wk = 0.0020325 k( 128) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0020325 k( 129) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0020325 k( 130) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0020325 k( 131) = ( 0.1057692 0.5000000 0.0000000), wk = 0.0020325 k( 132) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0020325 k( 133) = ( 0.0865385 0.5000000 -0.0000000), wk = 0.0020325 k( 134) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0020325 k( 135) = ( 0.0673077 0.5000000 -0.0000000), wk = 0.0020325 k( 136) = ( 0.0576923 0.5000000 0.0000000), wk = 0.0020325 k( 137) = ( 0.0480769 0.5000000 -0.0000000), wk = 0.0020325 k( 138) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0020325 k( 139) = ( 0.0288462 0.5000000 0.0000000), wk = 0.0020325 k( 140) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0020325 k( 141) = ( 0.0096154 0.5000000 -0.0000000), wk = 0.0020325 k( 142) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020325 k( 143) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020325 k( 144) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0020325 k( 145) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0020325 k( 146) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0020325 k( 147) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0020325 k( 148) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0020325 k( 149) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0020325 k( 150) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0020325 k( 151) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0020325 k( 152) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0020325 k( 153) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0020325 k( 154) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0020325 k( 155) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0020325 k( 156) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0020325 k( 157) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0020325 k( 158) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0020325 k( 159) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0020325 k( 160) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0020325 k( 161) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0020325 k( 162) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0020325 k( 163) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0020325 k( 164) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0020325 k( 165) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0020325 k( 166) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0020325 k( 167) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0020325 k( 168) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0020325 k( 169) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0020325 k( 170) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0020325 k( 171) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0020325 k( 172) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0020325 k( 173) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0020325 k( 174) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0020325 k( 175) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0020325 k( 176) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0020325 k( 177) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0020325 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020325 k( 180) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0020325 k( 181) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0020325 k( 182) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0020325 k( 183) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0020325 k( 184) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0020325 k( 185) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0020325 k( 186) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0020325 k( 187) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0020325 k( 188) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0020325 k( 189) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0020325 k( 190) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020325 k( 191) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0020325 k( 192) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0020325 k( 193) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0020325 k( 194) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0020325 k( 195) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0020325 k( 196) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0020325 k( 197) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0020325 k( 198) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0020325 k( 199) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0020325 k( 200) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0020325 k( 201) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020325 k( 202) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0020325 k( 203) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0020325 k( 204) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0020325 k( 205) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0020325 k( 206) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0020325 k( 207) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0020325 k( 208) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0020325 k( 209) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0020325 k( 210) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0020325 k( 211) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0020325 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020325 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020325 k( 214) = ( 0.0096154 0.0000000 0.5000000), wk = 0.0020325 k( 215) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0020325 k( 216) = ( 0.0288462 0.0000000 0.5000000), wk = 0.0020325 k( 217) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0020325 k( 218) = ( 0.0480769 0.0000000 0.5000000), wk = 0.0020325 k( 219) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0020325 k( 220) = ( 0.0673077 0.0000000 0.5000000), wk = 0.0020325 k( 221) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0020325 k( 222) = ( 0.0865385 0.0000000 0.5000000), wk = 0.0020325 k( 223) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0020325 k( 224) = ( 0.1057692 0.0000000 0.5000000), wk = 0.0020325 k( 225) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0020325 k( 226) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0020325 k( 227) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0020325 k( 228) = ( 0.1442308 0.0000000 0.5000000), wk = 0.0020325 k( 229) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0020325 k( 230) = ( 0.1634615 0.0000000 0.5000000), wk = 0.0020325 k( 231) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0020325 k( 232) = ( 0.1826923 0.0000000 0.5000000), wk = 0.0020325 k( 233) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0020325 k( 234) = ( 0.2019231 0.0000000 0.5000000), wk = 0.0020325 k( 235) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0020325 k( 236) = ( 0.2211539 0.0000000 0.5000000), wk = 0.0020325 k( 237) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0020325 k( 238) = ( 0.2403846 0.0000000 0.5000000), wk = 0.0020325 k( 239) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020325 k( 240) = ( 0.2596154 0.0000000 0.5000000), wk = 0.0020325 k( 241) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0020325 k( 242) = ( 0.2788462 0.0000000 0.5000000), wk = 0.0020325 k( 243) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0020325 k( 244) = ( 0.2980769 0.0000000 0.5000000), wk = 0.0020325 k( 245) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0020325 k( 246) = ( 0.3173077 0.0000000 0.5000000), wk = 0.0020325 k( 247) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0020325 k( 248) = ( 0.3365385 0.0000000 0.5000000), wk = 0.0020325 k( 249) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0020325 k( 250) = ( 0.3557692 0.0000000 0.5000000), wk = 0.0020325 k( 251) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0020325 k( 252) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0020325 k( 253) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0020325 k( 254) = ( 0.3942308 0.0000000 0.5000000), wk = 0.0020325 k( 255) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0020325 k( 256) = ( 0.4134615 0.0000000 0.5000000), wk = 0.0020325 k( 257) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0020325 k( 258) = ( 0.4326923 0.0000000 0.5000000), wk = 0.0020325 k( 259) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0020325 k( 260) = ( 0.4519231 0.0000000 0.5000000), wk = 0.0020325 k( 261) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0020325 k( 262) = ( 0.4711538 0.0000000 0.5000000), wk = 0.0020325 k( 263) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0020325 k( 264) = ( 0.4903846 0.0000000 0.5000000), wk = 0.0020325 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020325 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020325 k( 267) = ( 0.5000000 0.0142857 0.5000000), wk = 0.0020325 k( 268) = ( 0.5000000 0.0285714 0.5000000), wk = 0.0020325 k( 269) = ( 0.5000000 0.0428571 0.5000000), wk = 0.0020325 k( 270) = ( 0.5000000 0.0571429 0.5000000), wk = 0.0020325 k( 271) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0020325 k( 272) = ( 0.5000000 0.0857143 0.5000000), wk = 0.0020325 k( 273) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0020325 k( 274) = ( 0.5000000 0.1142857 0.5000000), wk = 0.0020325 k( 275) = ( 0.5000000 0.1285714 0.5000000), wk = 0.0020325 k( 276) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0020325 k( 277) = ( 0.5000000 0.1571429 0.5000000), wk = 0.0020325 k( 278) = ( 0.5000000 0.1714286 0.5000000), wk = 0.0020325 k( 279) = ( 0.5000000 0.1857143 0.5000000), wk = 0.0020325 k( 280) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0020325 k( 281) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0020325 k( 282) = ( 0.5000000 0.2285714 0.5000000), wk = 0.0020325 k( 283) = ( 0.5000000 0.2428571 0.5000000), wk = 0.0020325 k( 284) = ( 0.5000000 0.2571429 0.5000000), wk = 0.0020325 k( 285) = ( 0.5000000 0.2714286 0.5000000), wk = 0.0020325 k( 286) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0020325 k( 287) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0020325 k( 288) = ( 0.5000000 0.3142857 0.5000000), wk = 0.0020325 k( 289) = ( 0.5000000 0.3285714 0.5000000), wk = 0.0020325 k( 290) = ( 0.5000000 0.3428571 0.5000000), wk = 0.0020325 k( 291) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0020325 k( 292) = ( 0.5000000 0.3714286 0.5000000), wk = 0.0020325 k( 293) = ( 0.5000000 0.3857143 0.5000000), wk = 0.0020325 k( 294) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0020325 k( 295) = ( 0.5000000 0.4142857 0.5000000), wk = 0.0020325 k( 296) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0020325 k( 297) = ( 0.5000000 0.4428571 0.5000000), wk = 0.0020325 k( 298) = ( 0.5000000 0.4571429 0.5000000), wk = 0.0020325 k( 299) = ( 0.5000000 0.4714286 0.5000000), wk = 0.0020325 k( 300) = ( 0.5000000 0.4857143 0.5000000), wk = 0.0020325 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020325 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020325 k( 303) = ( 0.4903846 0.5000000 0.5000000), wk = 0.0020325 k( 304) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0020325 k( 305) = ( 0.4711538 0.5000000 0.5000000), wk = 0.0020325 k( 306) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0020325 k( 307) = ( 0.4519231 0.5000000 0.5000000), wk = 0.0020325 k( 308) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0020325 k( 309) = ( 0.4326923 0.5000000 0.5000000), wk = 0.0020325 k( 310) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0020325 k( 311) = ( 0.4134615 0.5000000 0.5000000), wk = 0.0020325 k( 312) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0020325 k( 313) = ( 0.3942308 0.5000000 0.5000000), wk = 0.0020325 k( 314) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0020325 k( 315) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0020325 k( 316) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0020325 k( 317) = ( 0.3557692 0.5000000 0.5000000), wk = 0.0020325 k( 318) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0020325 k( 319) = ( 0.3365385 0.5000000 0.5000000), wk = 0.0020325 k( 320) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0020325 k( 321) = ( 0.3173077 0.5000000 0.5000000), wk = 0.0020325 k( 322) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0020325 k( 323) = ( 0.2980769 0.5000000 0.5000000), wk = 0.0020325 k( 324) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0020325 k( 325) = ( 0.2788462 0.5000000 0.5000000), wk = 0.0020325 k( 326) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0020325 k( 327) = ( 0.2596154 0.5000000 0.5000000), wk = 0.0020325 k( 328) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0020325 k( 329) = ( 0.2403846 0.5000000 0.5000000), wk = 0.0020325 k( 330) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0020325 k( 331) = ( 0.2211539 0.5000000 0.5000000), wk = 0.0020325 k( 332) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0020325 k( 333) = ( 0.2019231 0.5000000 0.5000000), wk = 0.0020325 k( 334) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0020325 k( 335) = ( 0.1826923 0.5000000 0.5000000), wk = 0.0020325 k( 336) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0020325 k( 337) = ( 0.1634615 0.5000000 0.5000000), wk = 0.0020325 k( 338) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0020325 k( 339) = ( 0.1442308 0.5000000 0.5000000), wk = 0.0020325 k( 340) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0020325 k( 341) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0020325 k( 342) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0020325 k( 343) = ( 0.1057692 0.5000000 0.5000000), wk = 0.0020325 k( 344) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0020325 k( 345) = ( 0.0865385 0.5000000 0.5000000), wk = 0.0020325 k( 346) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0020325 k( 347) = ( 0.0673077 0.5000000 0.5000000), wk = 0.0020325 k( 348) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0020325 k( 349) = ( 0.0480769 0.5000000 0.5000000), wk = 0.0020325 k( 350) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0020325 k( 351) = ( 0.0288462 0.5000000 0.5000000), wk = 0.0020325 k( 352) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0020325 k( 353) = ( 0.0096154 0.5000000 0.5000000), wk = 0.0020325 k( 354) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020325 k( 355) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020325 k( 356) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0020325 k( 357) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0020325 k( 358) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0020325 k( 359) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0020325 k( 360) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0020325 k( 361) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0020325 k( 362) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0020325 k( 363) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0020325 k( 364) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0020325 k( 365) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0020325 k( 366) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0020325 k( 367) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0020325 k( 368) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0020325 k( 369) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0020325 k( 370) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0020325 k( 371) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0020325 k( 372) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0020325 k( 373) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0020325 k( 374) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0020325 k( 375) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0020325 k( 376) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0020325 k( 377) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0020325 k( 378) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0020325 k( 379) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0020325 k( 380) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0020325 k( 381) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0020325 k( 382) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0020325 k( 383) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0020325 k( 384) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0020325 k( 385) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0020325 k( 386) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0020325 k( 387) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0020325 k( 388) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0020325 k( 389) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0020325 k( 390) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020325 k( 391) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020325 k( 392) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0020325 k( 393) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0020325 k( 394) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0020325 k( 395) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0020325 k( 396) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0020325 k( 397) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0020325 k( 398) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0020325 k( 399) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0020325 k( 400) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0020325 k( 401) = ( 0.0000000 0.5000000 0.1515152), wk = 0.0020325 k( 402) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0020325 k( 403) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0020325 k( 404) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0020325 k( 405) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0020325 k( 406) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0020325 k( 407) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0020325 k( 408) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0020325 k( 409) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0020325 k( 410) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0020325 k( 411) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0020325 k( 412) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0020325 k( 413) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0020325 k( 414) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0020325 k( 415) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0020325 k( 416) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0020325 k( 417) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0020325 k( 418) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0020325 k( 419) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0020325 k( 420) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0020325 k( 421) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0020325 k( 422) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0020325 k( 423) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0020325 k( 424) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020325 k( 425) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020325 k( 426) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0020325 k( 427) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0020325 k( 428) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0020325 k( 429) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0020325 k( 430) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0020325 k( 431) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0020325 k( 432) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0020325 k( 433) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0020325 k( 434) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0020325 k( 435) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0020325 k( 436) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0020325 k( 437) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0020325 k( 438) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0020325 k( 439) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0020325 k( 440) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0020325 k( 441) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0020325 k( 442) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0020325 k( 443) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0020325 k( 444) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0020325 k( 445) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0020325 k( 446) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0020325 k( 447) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0020325 k( 448) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0020325 k( 449) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0020325 k( 450) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0020325 k( 451) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0020325 k( 452) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0020325 k( 453) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0020325 k( 454) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0020325 k( 455) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0020325 k( 456) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0020325 k( 457) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0020325 k( 458) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020325 k( 459) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020325 k( 460) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0020325 k( 461) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0020325 k( 462) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0020325 k( 463) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0020325 k( 464) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0020325 k( 465) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0020325 k( 466) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0020325 k( 467) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0020325 k( 468) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0020325 k( 469) = ( 0.5000000 0.5000000 0.1515152), wk = 0.0020325 k( 470) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0020325 k( 471) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0020325 k( 472) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0020325 k( 473) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0020325 k( 474) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0020325 k( 475) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0020325 k( 476) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0020325 k( 477) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0020325 k( 478) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0020325 k( 479) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0020325 k( 480) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0020325 k( 481) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0020325 k( 482) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0020325 k( 483) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0020325 k( 484) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0020325 k( 485) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0020325 k( 486) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0020325 k( 487) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0020325 k( 488) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0020325 k( 489) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0020325 k( 490) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0020325 k( 491) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0020325 k( 492) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020325 Dense grid: 42923 G-vectors FFT dimensions: ( 36, 50, 54) Smooth grid: 21397 G-vectors FFT dimensions: ( 27, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 180, 58) NL pseudopotentials 0.17 Mb ( 90, 124) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1341) G-vector shells 0.01 Mb ( 662) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 180, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NiF2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 11.1 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.8 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.4 secs Computing kpt #: 22 total cpu time spent up to now is 16.1 secs Computing kpt #: 23 total cpu time spent up to now is 16.8 secs Computing kpt #: 24 total cpu time spent up to now is 17.5 secs Computing kpt #: 25 total cpu time spent up to now is 18.3 secs Computing kpt #: 26 total cpu time spent up to now is 19.1 secs Computing kpt #: 27 total cpu time spent up to now is 19.9 secs Computing kpt #: 28 total cpu time spent up to now is 20.6 secs Computing kpt #: 29 total cpu time spent up to now is 21.3 secs Computing kpt #: 30 total cpu time spent up to now is 22.2 secs Computing kpt #: 31 total cpu time spent up to now is 22.9 secs Computing kpt #: 32 total cpu time spent up to now is 23.6 secs Computing kpt #: 33 total cpu time spent up to now is 24.3 secs Computing kpt #: 34 total cpu time spent up to now is 25.2 secs Computing kpt #: 35 total cpu time spent up to now is 26.1 secs Computing kpt #: 36 total cpu time spent up to now is 27.0 secs Computing kpt #: 37 total cpu time spent up to now is 28.1 secs Computing kpt #: 38 total cpu time spent up to now is 29.6 secs Computing kpt #: 39 total cpu time spent up to now is 30.3 secs Computing kpt #: 40 total cpu time spent up to now is 31.0 secs Computing kpt #: 41 total cpu time spent up to now is 31.7 secs Computing kpt #: 42 total cpu time spent up to now is 32.4 secs Computing kpt #: 43 total cpu time spent up to now is 33.2 secs Computing kpt #: 44 total cpu time spent up to now is 33.8 secs Computing kpt #: 45 total cpu time spent up to now is 34.5 secs Computing kpt #: 46 total cpu time spent up to now is 35.1 secs Computing kpt #: 47 total cpu time spent up to now is 35.7 secs Computing kpt #: 48 total cpu time spent up to now is 36.4 secs Computing kpt #: 49 total cpu time spent up to now is 37.1 secs Computing kpt #: 50 total cpu time spent up to now is 37.9 secs Computing kpt #: 51 total cpu time spent up to now is 38.6 secs Computing kpt #: 52 total cpu time spent up to now is 39.5 secs Computing kpt #: 53 total cpu time spent up to now is 40.1 secs Computing kpt #: 54 total cpu time spent up to now is 40.6 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.2 secs Computing kpt #: 56 total cpu time spent up to now is 43.5 secs Computing kpt #: 57 total cpu time spent up to now is 45.0 secs Computing kpt #: 58 total cpu time spent up to now is 46.5 secs Computing kpt #: 59 total cpu time spent up to now is 47.6 secs Computing kpt #: 60 total cpu time spent up to now is 48.7 secs Computing kpt #: 61 total cpu time spent up to now is 49.9 secs Computing kpt #: 62 total cpu time spent up to now is 50.9 secs Computing kpt #: 63 total cpu time spent up to now is 51.8 secs Computing kpt #: 64 total cpu time spent up to now is 52.7 secs Computing kpt #: 65 total cpu time spent up to now is 53.6 secs Computing kpt #: 66 total cpu time spent up to now is 54.5 secs Computing kpt #: 67 total cpu time spent up to now is 55.4 secs Computing kpt #: 68 total cpu time spent up to now is 56.4 secs Computing kpt #: 69 total cpu time spent up to now is 57.3 secs Computing kpt #: 70 total cpu time spent up to now is 58.2 secs Computing kpt #: 71 total cpu time spent up to now is 59.1 secs Computing kpt #: 72 total cpu time spent up to now is 60.0 secs Computing kpt #: 73 total cpu time spent up to now is 60.8 secs Computing kpt #: 74 total cpu time spent up to now is 61.7 secs Computing kpt #: 75 total cpu time spent up to now is 62.5 secs Computing kpt #: 76 total cpu time spent up to now is 63.4 secs Computing kpt #: 77 total cpu time spent up to now is 64.3 secs Computing kpt #: 78 total cpu time spent up to now is 65.1 secs Computing kpt #: 79 total cpu time spent up to now is 66.0 secs Computing kpt #: 80 total cpu time spent up to now is 66.8 secs Computing kpt #: 81 total cpu time spent up to now is 67.7 secs Computing kpt #: 82 total cpu time spent up to now is 68.5 secs Computing kpt #: 83 total cpu time spent up to now is 69.2 secs Computing kpt #: 84 total cpu time spent up to now is 70.0 secs Computing kpt #: 85 total cpu time spent up to now is 70.8 secs Computing kpt #: 86 total cpu time spent up to now is 71.6 secs Computing kpt #: 87 total cpu time spent up to now is 72.4 secs Computing kpt #: 88 total cpu time spent up to now is 73.2 secs Computing kpt #: 89 total cpu time spent up to now is 74.0 secs Computing kpt #: 90 total cpu time spent up to now is 74.8 secs Computing kpt #: 91 total cpu time spent up to now is 75.5 secs Computing kpt #: 92 total cpu time spent up to now is 76.3 secs Computing kpt #: 93 total cpu time spent up to now is 77.1 secs Computing kpt #: 94 total cpu time spent up to now is 78.0 secs Computing kpt #: 95 total cpu time spent up to now is 78.8 secs Computing kpt #: 96 total cpu time spent up to now is 79.7 secs Computing kpt #: 97 total cpu time spent up to now is 80.5 secs Computing kpt #: 98 total cpu time spent up to now is 81.4 secs Computing kpt #: 99 total cpu time spent up to now is 82.3 secs Computing kpt #: 100 total cpu time spent up to now is 83.1 secs Computing kpt #: 101 total cpu time spent up to now is 84.0 secs Computing kpt #: 102 total cpu time spent up to now is 84.9 secs Computing kpt #: 103 total cpu time spent up to now is 85.8 secs Computing kpt #: 104 total cpu time spent up to now is 86.6 secs Computing kpt #: 105 total cpu time spent up to now is 87.5 secs Computing kpt #: 106 total cpu time spent up to now is 88.3 secs Computing kpt #: 107 total cpu time spent up to now is 89.2 secs Computing kpt #: 108 total cpu time spent up to now is 90.1 secs Computing kpt #: 109 total cpu time spent up to now is 91.0 secs Computing kpt #: 110 total cpu time spent up to now is 91.8 secs Computing kpt #: 111 total cpu time spent up to now is 92.7 secs Computing kpt #: 112 total cpu time spent up to now is 93.4 secs Computing kpt #: 113 total cpu time spent up to now is 94.1 secs Computing kpt #: 114 total cpu time spent up to now is 94.9 secs Computing kpt #: 115 total cpu time spent up to now is 95.6 secs Computing kpt #: 116 total cpu time spent up to now is 96.3 secs Computing kpt #: 117 total cpu time spent up to now is 97.0 secs Computing kpt #: 118 total cpu time spent up to now is 97.8 secs Computing kpt #: 119 total cpu time spent up to now is 98.5 secs Computing kpt #: 120 total cpu time spent up to now is 99.2 secs Computing kpt #: 121 total cpu time spent up to now is 100.0 secs Computing kpt #: 122 total cpu time spent up to now is 100.6 secs Computing kpt #: 123 total cpu time spent up to now is 101.3 secs Computing kpt #: 124 total cpu time spent up to now is 102.0 secs Computing kpt #: 125 total cpu time spent up to now is 102.7 secs Computing kpt #: 126 total cpu time spent up to now is 103.4 secs Computing kpt #: 127 total cpu time spent up to now is 104.1 secs Computing kpt #: 128 total cpu time spent up to now is 104.8 secs Computing kpt #: 129 total cpu time spent up to now is 105.5 secs Computing kpt #: 130 total cpu time spent up to now is 106.2 secs Computing kpt #: 131 total cpu time spent up to now is 106.9 secs Computing kpt #: 132 total cpu time spent up to now is 107.6 secs Computing kpt #: 133 total cpu time spent up to now is 108.3 secs Computing kpt #: 134 total cpu time spent up to now is 109.0 secs Computing kpt #: 135 total cpu time spent up to now is 109.7 secs Computing kpt #: 136 total cpu time spent up to now is 110.4 secs Computing kpt #: 137 total cpu time spent up to now is 111.2 secs Computing kpt #: 138 total cpu time spent up to now is 111.9 secs Computing kpt #: 139 total cpu time spent up to now is 112.6 secs Computing kpt #: 140 total cpu time spent up to now is 113.3 secs Computing kpt #: 141 total cpu time spent up to now is 114.1 secs Computing kpt #: 142 total cpu time spent up to now is 114.6 secs Computing kpt #: 143 total cpu time spent up to now is 115.1 secs Computing kpt #: 144 total cpu time spent up to now is 115.7 secs Computing kpt #: 145 total cpu time spent up to now is 116.3 secs Computing kpt #: 146 total cpu time spent up to now is 117.0 secs Computing kpt #: 147 total cpu time spent up to now is 117.6 secs Computing kpt #: 148 total cpu time spent up to now is 118.2 secs Computing kpt #: 149 total cpu time spent up to now is 118.9 secs Computing kpt #: 150 total cpu time spent up to now is 119.5 secs Computing kpt #: 151 total cpu time spent up to now is 120.1 secs Computing kpt #: 152 total cpu time spent up to now is 120.7 secs Computing kpt #: 153 total cpu time spent up to now is 121.3 secs Computing kpt #: 154 total cpu time spent up to now is 121.9 secs Computing kpt #: 155 total cpu time spent up to now is 122.5 secs Computing kpt #: 156 total cpu time spent up to now is 123.0 secs Computing kpt #: 157 total cpu time spent up to now is 123.6 secs Computing kpt #: 158 total cpu time spent up to now is 124.2 secs Computing kpt #: 159 total cpu time spent up to now is 124.8 secs Computing kpt #: 160 total cpu time spent up to now is 125.3 secs Computing kpt #: 161 total cpu time spent up to now is 125.9 secs Computing kpt #: 162 total cpu time spent up to now is 126.5 secs Computing kpt #: 163 total cpu time spent up to now is 127.0 secs Computing kpt #: 164 total cpu time spent up to now is 127.6 secs Computing kpt #: 165 total cpu time spent up to now is 128.2 secs Computing kpt #: 166 total cpu time spent up to now is 128.7 secs Computing kpt #: 167 total cpu time spent up to now is 129.3 secs Computing kpt #: 168 total cpu time spent up to now is 129.9 secs Computing kpt #: 169 total cpu time spent up to now is 130.4 secs Computing kpt #: 170 total cpu time spent up to now is 131.0 secs Computing kpt #: 171 total cpu time spent up to now is 131.6 secs Computing kpt #: 172 total cpu time spent up to now is 132.1 secs Computing kpt #: 173 total cpu time spent up to now is 132.7 secs Computing kpt #: 174 total cpu time spent up to now is 133.3 secs Computing kpt #: 175 total cpu time spent up to now is 133.8 secs Computing kpt #: 176 total cpu time spent up to now is 134.4 secs Computing kpt #: 177 total cpu time spent up to now is 135.0 secs Computing kpt #: 178 total cpu time spent up to now is 135.6 secs Computing kpt #: 179 total cpu time spent up to now is 136.1 secs Computing kpt #: 180 total cpu time spent up to now is 136.7 secs Computing kpt #: 181 total cpu time spent up to now is 137.3 secs Computing kpt #: 182 total cpu time spent up to now is 137.9 secs Computing kpt #: 183 total cpu time spent up to now is 138.4 secs Computing kpt #: 184 total cpu time spent up to now is 139.0 secs Computing kpt #: 185 total cpu time spent up to now is 139.6 secs Computing kpt #: 186 total cpu time spent up to now is 140.1 secs Computing kpt #: 187 total cpu time spent up to now is 140.7 secs Computing kpt #: 188 total cpu time spent up to now is 141.2 secs Computing kpt #: 189 total cpu time spent up to now is 141.8 secs Computing kpt #: 190 total cpu time spent up to now is 142.3 secs Computing kpt #: 191 total cpu time spent up to now is 142.9 secs Computing kpt #: 192 total cpu time spent up to now is 143.4 secs Computing kpt #: 193 total cpu time spent up to now is 143.9 secs Computing kpt #: 194 total cpu time spent up to now is 144.5 secs Computing kpt #: 195 total cpu time spent up to now is 145.0 secs Computing kpt #: 196 total cpu time spent up to now is 145.6 secs Computing kpt #: 197 total cpu time spent up to now is 146.2 secs Computing kpt #: 198 total cpu time spent up to now is 146.7 secs Computing kpt #: 199 total cpu time spent up to now is 147.3 secs Computing kpt #: 200 total cpu time spent up to now is 147.8 secs Computing kpt #: 201 total cpu time spent up to now is 148.4 secs Computing kpt #: 202 total cpu time spent up to now is 149.0 secs Computing kpt #: 203 total cpu time spent up to now is 149.5 secs Computing kpt #: 204 total cpu time spent up to now is 150.1 secs Computing kpt #: 205 total cpu time spent up to now is 150.7 secs Computing kpt #: 206 total cpu time spent up to now is 151.2 secs Computing kpt #: 207 total cpu time spent up to now is 151.8 secs Computing kpt #: 208 total cpu time spent up to now is 152.4 secs Computing kpt #: 209 total cpu time spent up to now is 153.0 secs Computing kpt #: 210 total cpu time spent up to now is 153.6 secs Computing kpt #: 211 total cpu time spent up to now is 154.3 secs Computing kpt #: 212 total cpu time spent up to now is 154.9 secs Computing kpt #: 213 total cpu time spent up to now is 155.4 secs Computing kpt #: 214 total cpu time spent up to now is 156.1 secs Computing kpt #: 215 total cpu time spent up to now is 156.9 secs Computing kpt #: 216 total cpu time spent up to now is 157.6 secs Computing kpt #: 217 total cpu time spent up to now is 158.4 secs Computing kpt #: 218 total cpu time spent up to now is 159.1 secs Computing kpt #: 219 total cpu time spent up to now is 159.8 secs Computing kpt #: 220 total cpu time spent up to now is 160.5 secs Computing kpt #: 221 total cpu time spent up to now is 161.3 secs Computing kpt #: 222 total cpu time spent up to now is 162.0 secs Computing kpt #: 223 total cpu time spent up to now is 162.7 secs Computing kpt #: 224 total cpu time spent up to now is 163.5 secs Computing kpt #: 225 total cpu time spent up to now is 164.2 secs Computing kpt #: 226 total cpu time spent up to now is 164.9 secs Computing kpt #: 227 total cpu time spent up to now is 165.6 secs Computing kpt #: 228 total cpu time spent up to now is 166.3 secs Computing kpt #: 229 total cpu time spent up to now is 167.1 secs Computing kpt #: 230 total cpu time spent up to now is 167.8 secs Computing kpt #: 231 total cpu time spent up to now is 168.5 secs Computing kpt #: 232 total cpu time spent up to now is 169.2 secs Computing kpt #: 233 total cpu time spent up to now is 170.0 secs Computing kpt #: 234 total cpu time spent up to now is 170.7 secs Computing kpt #: 235 total cpu time spent up to now is 171.5 secs Computing kpt #: 236 total cpu time spent up to now is 172.2 secs Computing kpt #: 237 total cpu time spent up to now is 172.9 secs Computing kpt #: 238 total cpu time spent up to now is 173.7 secs Computing kpt #: 239 total cpu time spent up to now is 174.4 secs Computing kpt #: 240 total cpu time spent up to now is 175.2 secs Computing kpt #: 241 total cpu time spent up to now is 175.9 secs Computing kpt #: 242 total cpu time spent up to now is 176.8 secs Computing kpt #: 243 total cpu time spent up to now is 177.6 secs Computing kpt #: 244 total cpu time spent up to now is 178.6 secs Computing kpt #: 245 total cpu time spent up to now is 179.3 secs Computing kpt #: 246 total cpu time spent up to now is 180.0 secs Computing kpt #: 247 total cpu time spent up to now is 180.7 secs Computing kpt #: 248 total cpu time spent up to now is 181.6 secs Computing kpt #: 249 total cpu time spent up to now is 182.3 secs Computing kpt #: 250 total cpu time spent up to now is 183.2 secs Computing kpt #: 251 total cpu time spent up to now is 184.1 secs Computing kpt #: 252 total cpu time spent up to now is 185.0 secs Computing kpt #: 253 total cpu time spent up to now is 185.9 secs Computing kpt #: 254 total cpu time spent up to now is 186.7 secs Computing kpt #: 255 total cpu time spent up to now is 187.6 secs Computing kpt #: 256 total cpu time spent up to now is 188.4 secs Computing kpt #: 257 total cpu time spent up to now is 189.3 secs Computing kpt #: 258 total cpu time spent up to now is 190.1 secs Computing kpt #: 259 total cpu time spent up to now is 190.9 secs Computing kpt #: 260 total cpu time spent up to now is 191.6 secs Computing kpt #: 261 total cpu time spent up to now is 192.5 secs Computing kpt #: 262 total cpu time spent up to now is 193.3 secs Computing kpt #: 263 total cpu time spent up to now is 194.0 secs Computing kpt #: 264 total cpu time spent up to now is 194.8 secs Computing kpt #: 265 total cpu time spent up to now is 195.6 secs Computing kpt #: 266 total cpu time spent up to now is 196.4 secs Computing kpt #: 267 total cpu time spent up to now is 197.1 secs Computing kpt #: 268 total cpu time spent up to now is 197.9 secs Computing kpt #: 269 total cpu time spent up to now is 198.6 secs Computing kpt #: 270 total cpu time spent up to now is 199.4 secs Computing kpt #: 271 total cpu time spent up to now is 200.2 secs Computing kpt #: 272 total cpu time spent up to now is 201.0 secs Computing kpt #: 273 total cpu time spent up to now is 201.8 secs Computing kpt #: 274 total cpu time spent up to now is 202.5 secs Computing kpt #: 275 total cpu time spent up to now is 203.3 secs Computing kpt #: 276 total cpu time spent up to now is 204.1 secs Computing kpt #: 277 total cpu time spent up to now is 205.0 secs Computing kpt #: 278 total cpu time spent up to now is 205.8 secs Computing kpt #: 279 total cpu time spent up to now is 206.7 secs Computing kpt #: 280 total cpu time spent up to now is 207.5 secs Computing kpt #: 281 total cpu time spent up to now is 208.4 secs Computing kpt #: 282 total cpu time spent up to now is 209.2 secs Computing kpt #: 283 total cpu time spent up to now is 210.1 secs Computing kpt #: 284 total cpu time spent up to now is 210.9 secs Computing kpt #: 285 total cpu time spent up to now is 211.8 secs Computing kpt #: 286 total cpu time spent up to now is 212.6 secs Computing kpt #: 287 total cpu time spent up to now is 213.5 secs Computing kpt #: 288 total cpu time spent up to now is 214.4 secs Computing kpt #: 289 total cpu time spent up to now is 215.3 secs Computing kpt #: 290 total cpu time spent up to now is 216.2 secs Computing kpt #: 291 total cpu time spent up to now is 217.1 secs Computing kpt #: 292 total cpu time spent up to now is 218.0 secs Computing kpt #: 293 total cpu time spent up to now is 218.9 secs Computing kpt #: 294 total cpu time spent up to now is 219.9 secs Computing kpt #: 295 total cpu time spent up to now is 220.8 secs Computing kpt #: 296 total cpu time spent up to now is 221.8 secs Computing kpt #: 297 total cpu time spent up to now is 222.7 secs Computing kpt #: 298 total cpu time spent up to now is 223.7 secs Computing kpt #: 299 total cpu time spent up to now is 224.7 secs Computing kpt #: 300 total cpu time spent up to now is 225.6 secs Computing kpt #: 301 total cpu time spent up to now is 226.3 secs Computing kpt #: 302 total cpu time spent up to now is 226.9 secs Computing kpt #: 303 total cpu time spent up to now is 227.5 secs Computing kpt #: 304 total cpu time spent up to now is 228.2 secs Computing kpt #: 305 total cpu time spent up to now is 228.7 secs Computing kpt #: 306 total cpu time spent up to now is 229.3 secs Computing kpt #: 307 total cpu time spent up to now is 229.9 secs Computing kpt #: 308 total cpu time spent up to now is 230.4 secs Computing kpt #: 309 total cpu time spent up to now is 230.9 secs Computing kpt #: 310 total cpu time spent up to now is 231.5 secs Computing kpt #: 311 total cpu time spent up to now is 232.1 secs Computing kpt #: 312 total cpu time spent up to now is 232.6 secs Computing kpt #: 313 total cpu time spent up to now is 233.1 secs Computing kpt #: 314 total cpu time spent up to now is 233.7 secs Computing kpt #: 315 total cpu time spent up to now is 234.3 secs Computing kpt #: 316 total cpu time spent up to now is 234.8 secs Computing kpt #: 317 total cpu time spent up to now is 235.3 secs Computing kpt #: 318 total cpu time spent up to now is 235.9 secs Computing kpt #: 319 total cpu time spent up to now is 236.4 secs Computing kpt #: 320 total cpu time spent up to now is 237.0 secs Computing kpt #: 321 total cpu time spent up to now is 237.5 secs Computing kpt #: 322 total cpu time spent up to now is 238.1 secs Computing kpt #: 323 total cpu time spent up to now is 238.6 secs Computing kpt #: 324 total cpu time spent up to now is 239.1 secs Computing kpt #: 325 total cpu time spent up to now is 239.7 secs Computing kpt #: 326 total cpu time spent up to now is 240.2 secs Computing kpt #: 327 total cpu time spent up to now is 240.7 secs Computing kpt #: 328 total cpu time spent up to now is 241.3 secs Computing kpt #: 329 total cpu time spent up to now is 241.8 secs Computing kpt #: 330 total cpu time spent up to now is 242.3 secs Computing kpt #: 331 total cpu time spent up to now is 242.8 secs Computing kpt #: 332 total cpu time spent up to now is 243.4 secs Computing kpt #: 333 total cpu time spent up to now is 243.9 secs Computing kpt #: 334 total cpu time spent up to now is 244.4 secs Computing kpt #: 335 total cpu time spent up to now is 244.9 secs Computing kpt #: 336 total cpu time spent up to now is 245.5 secs Computing kpt #: 337 total cpu time spent up to now is 246.0 secs Computing kpt #: 338 total cpu time spent up to now is 246.5 secs Computing kpt #: 339 total cpu time spent up to now is 247.0 secs Computing kpt #: 340 total cpu time spent up to now is 247.6 secs Computing kpt #: 341 total cpu time spent up to now is 248.1 secs Computing kpt #: 342 total cpu time spent up to now is 248.6 secs Computing kpt #: 343 total cpu time spent up to now is 249.1 secs Computing kpt #: 344 total cpu time spent up to now is 249.6 secs Computing kpt #: 345 total cpu time spent up to now is 250.2 secs Computing kpt #: 346 total cpu time spent up to now is 250.7 secs Computing kpt #: 347 total cpu time spent up to now is 251.2 secs Computing kpt #: 348 total cpu time spent up to now is 251.7 secs Computing kpt #: 349 total cpu time spent up to now is 252.2 secs Computing kpt #: 350 total cpu time spent up to now is 252.8 secs Computing kpt #: 351 total cpu time spent up to now is 253.3 secs Computing kpt #: 352 total cpu time spent up to now is 253.8 secs Computing kpt #: 353 total cpu time spent up to now is 254.3 secs Computing kpt #: 354 total cpu time spent up to now is 254.8 secs Computing kpt #: 355 total cpu time spent up to now is 255.3 secs Computing kpt #: 356 total cpu time spent up to now is 255.9 secs Computing kpt #: 357 total cpu time spent up to now is 256.4 secs Computing kpt #: 358 total cpu time spent up to now is 256.9 secs Computing kpt #: 359 total cpu time spent up to now is 257.5 secs Computing kpt #: 360 total cpu time spent up to now is 258.0 secs Computing kpt #: 361 total cpu time spent up to now is 258.5 secs Computing kpt #: 362 total cpu time spent up to now is 259.1 secs Computing kpt #: 363 total cpu time spent up to now is 259.6 secs Computing kpt #: 364 total cpu time spent up to now is 260.1 secs Computing kpt #: 365 total cpu time spent up to now is 260.6 secs Computing kpt #: 366 total cpu time spent up to now is 261.1 secs Computing kpt #: 367 total cpu time spent up to now is 261.6 secs Computing kpt #: 368 total cpu time spent up to now is 262.2 secs Computing kpt #: 369 total cpu time spent up to now is 262.7 secs Computing kpt #: 370 total cpu time spent up to now is 263.2 secs Computing kpt #: 371 total cpu time spent up to now is 263.7 secs Computing kpt #: 372 total cpu time spent up to now is 264.2 secs Computing kpt #: 373 total cpu time spent up to now is 264.7 secs Computing kpt #: 374 total cpu time spent up to now is 265.2 secs Computing kpt #: 375 total cpu time spent up to now is 265.7 secs Computing kpt #: 376 total cpu time spent up to now is 266.2 secs Computing kpt #: 377 total cpu time spent up to now is 266.8 secs Computing kpt #: 378 total cpu time spent up to now is 267.3 secs Computing kpt #: 379 total cpu time spent up to now is 267.8 secs Computing kpt #: 380 total cpu time spent up to now is 268.3 secs Computing kpt #: 381 total cpu time spent up to now is 268.9 secs Computing kpt #: 382 total cpu time spent up to now is 269.4 secs Computing kpt #: 383 total cpu time spent up to now is 269.9 secs Computing kpt #: 384 total cpu time spent up to now is 270.5 secs Computing kpt #: 385 total cpu time spent up to now is 271.0 secs Computing kpt #: 386 total cpu time spent up to now is 271.5 secs Computing kpt #: 387 total cpu time spent up to now is 272.1 secs Computing kpt #: 388 total cpu time spent up to now is 272.7 secs Computing kpt #: 389 total cpu time spent up to now is 273.2 secs Computing kpt #: 390 total cpu time spent up to now is 273.8 secs Computing kpt #: 391 total cpu time spent up to now is 274.3 secs Computing kpt #: 392 total cpu time spent up to now is 274.8 secs Computing kpt #: 393 total cpu time spent up to now is 275.3 secs Computing kpt #: 394 total cpu time spent up to now is 275.9 secs Computing kpt #: 395 total cpu time spent up to now is 276.4 secs Computing kpt #: 396 total cpu time spent up to now is 276.9 secs Computing kpt #: 397 total cpu time spent up to now is 277.5 secs Computing kpt #: 398 total cpu time spent up to now is 278.0 secs Computing kpt #: 399 total cpu time spent up to now is 278.5 secs Computing kpt #: 400 total cpu time spent up to now is 279.0 secs Computing kpt #: 401 total cpu time spent up to now is 279.5 secs Computing kpt #: 402 total cpu time spent up to now is 280.1 secs Computing kpt #: 403 total cpu time spent up to now is 280.6 secs Computing kpt #: 404 total cpu time spent up to now is 281.1 secs Computing kpt #: 405 total cpu time spent up to now is 281.6 secs Computing kpt #: 406 total cpu time spent up to now is 282.1 secs Computing kpt #: 407 total cpu time spent up to now is 282.6 secs Computing kpt #: 408 total cpu time spent up to now is 283.1 secs Computing kpt #: 409 total cpu time spent up to now is 283.6 secs Computing kpt #: 410 total cpu time spent up to now is 284.2 secs Computing kpt #: 411 total cpu time spent up to now is 284.7 secs Computing kpt #: 412 total cpu time spent up to now is 285.2 secs Computing kpt #: 413 total cpu time spent up to now is 285.7 secs Computing kpt #: 414 total cpu time spent up to now is 286.2 secs Computing kpt #: 415 total cpu time spent up to now is 286.7 secs Computing kpt #: 416 total cpu time spent up to now is 287.3 secs Computing kpt #: 417 total cpu time spent up to now is 287.8 secs Computing kpt #: 418 total cpu time spent up to now is 288.3 secs Computing kpt #: 419 total cpu time spent up to now is 288.8 secs Computing kpt #: 420 total cpu time spent up to now is 289.4 secs Computing kpt #: 421 total cpu time spent up to now is 289.9 secs Computing kpt #: 422 total cpu time spent up to now is 290.4 secs Computing kpt #: 423 total cpu time spent up to now is 291.0 secs Computing kpt #: 424 total cpu time spent up to now is 291.5 secs Computing kpt #: 425 total cpu time spent up to now is 292.2 secs Computing kpt #: 426 total cpu time spent up to now is 293.0 secs Computing kpt #: 427 total cpu time spent up to now is 293.7 secs Computing kpt #: 428 total cpu time spent up to now is 294.4 secs Computing kpt #: 429 total cpu time spent up to now is 295.2 secs Computing kpt #: 430 total cpu time spent up to now is 295.9 secs Computing kpt #: 431 total cpu time spent up to now is 296.7 secs Computing kpt #: 432 total cpu time spent up to now is 297.5 secs Computing kpt #: 433 total cpu time spent up to now is 298.2 secs Computing kpt #: 434 total cpu time spent up to now is 299.0 secs Computing kpt #: 435 total cpu time spent up to now is 299.8 secs Computing kpt #: 436 total cpu time spent up to now is 300.6 secs Computing kpt #: 437 total cpu time spent up to now is 301.3 secs Computing kpt #: 438 total cpu time spent up to now is 302.2 secs Computing kpt #: 439 total cpu time spent up to now is 303.0 secs Computing kpt #: 440 total cpu time spent up to now is 303.9 secs Computing kpt #: 441 total cpu time spent up to now is 304.7 secs Computing kpt #: 442 total cpu time spent up to now is 305.6 secs Computing kpt #: 443 total cpu time spent up to now is 306.4 secs Computing kpt #: 444 total cpu time spent up to now is 307.3 secs Computing kpt #: 445 total cpu time spent up to now is 308.2 secs Computing kpt #: 446 total cpu time spent up to now is 309.1 secs Computing kpt #: 447 total cpu time spent up to now is 310.0 secs Computing kpt #: 448 total cpu time spent up to now is 310.9 secs Computing kpt #: 449 total cpu time spent up to now is 311.8 secs Computing kpt #: 450 total cpu time spent up to now is 312.7 secs Computing kpt #: 451 total cpu time spent up to now is 313.7 secs Computing kpt #: 452 total cpu time spent up to now is 314.6 secs Computing kpt #: 453 total cpu time spent up to now is 315.5 secs Computing kpt #: 454 total cpu time spent up to now is 316.5 secs Computing kpt #: 455 total cpu time spent up to now is 317.4 secs Computing kpt #: 456 total cpu time spent up to now is 318.3 secs Computing kpt #: 457 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 319.9 secs Computing kpt #: 458 total cpu time spent up to now is 320.4 secs Computing kpt #: 459 total cpu time spent up to now is 321.2 secs Computing kpt #: 460 total cpu time spent up to now is 322.0 secs Computing kpt #: 461 total cpu time spent up to now is 322.8 secs Computing kpt #: 462 total cpu time spent up to now is 323.5 secs Computing kpt #: 463 total cpu time spent up to now is 324.3 secs Computing kpt #: 464 total cpu time spent up to now is 325.1 secs Computing kpt #: 465 total cpu time spent up to now is 325.9 secs Computing kpt #: 466 total cpu time spent up to now is 326.7 secs Computing kpt #: 467 total cpu time spent up to now is 327.4 secs Computing kpt #: 468 total cpu time spent up to now is 328.2 secs Computing kpt #: 469 total cpu time spent up to now is 329.1 secs Computing kpt #: 470 total cpu time spent up to now is 329.9 secs Computing kpt #: 471 total cpu time spent up to now is 330.7 secs Computing kpt #: 472 total cpu time spent up to now is 331.6 secs Computing kpt #: 473 total cpu time spent up to now is 332.4 secs Computing kpt #: 474 total cpu time spent up to now is 333.3 secs Computing kpt #: 475 total cpu time spent up to now is 334.1 secs Computing kpt #: 476 total cpu time spent up to now is 335.0 secs Computing kpt #: 477 total cpu time spent up to now is 335.8 secs Computing kpt #: 478 total cpu time spent up to now is 336.7 secs Computing kpt #: 479 total cpu time spent up to now is 337.6 secs Computing kpt #: 480 total cpu time spent up to now is 338.5 secs Computing kpt #: 481 total cpu time spent up to now is 339.4 secs Computing kpt #: 482 total cpu time spent up to now is 340.3 secs Computing kpt #: 483 total cpu time spent up to now is 341.2 secs Computing kpt #: 484 total cpu time spent up to now is 342.1 secs Computing kpt #: 485 total cpu time spent up to now is 343.1 secs Computing kpt #: 486 total cpu time spent up to now is 344.0 secs Computing kpt #: 487 total cpu time spent up to now is 344.9 secs Computing kpt #: 488 total cpu time spent up to now is 345.9 secs Computing kpt #: 489 total cpu time spent up to now is 346.8 secs Computing kpt #: 490 total cpu time spent up to now is 347.7 secs Computing kpt #: 491 total cpu time spent up to now is 348.7 secs Computing kpt #: 492 total cpu time spent up to now is 349.3 secs ethr = 2.08E-11, avg # of iterations = 30.2 total cpu time spent up to now is 349.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2683 PWs) bands (ev): -18.3645 -18.3645 -17.6311 -17.6311 -17.5911 -17.5911 -17.5551 -17.5551 -2.1400 -2.1400 -0.7566 -0.7566 -0.3256 -0.3256 0.0985 0.0985 0.2433 0.2433 0.2932 0.2932 0.3287 0.3287 0.5034 0.5034 1.6129 1.6129 1.9841 1.9841 2.0837 2.0837 2.3326 2.3326 4.6193 4.6193 4.7406 4.7406 4.8309 4.8309 4.8708 4.8708 4.9145 4.9145 5.3840 5.3840 5.6846 5.6846 6.4091 6.4091 6.4647 6.4647 7.0225 7.0225 8.8405 8.8405 14.5534 14.5534 14.7097 14.7097 k = 0.0096-0.0000-0.0000 ( 2683 PWs) bands (ev): -18.3642 -18.3642 -17.6310 -17.6310 -17.5910 -17.5910 -17.5551 -17.5551 -2.1393 -2.1393 -0.7564 -0.7564 -0.3250 -0.3250 0.0960 0.0960 0.2392 0.2392 0.2957 0.2957 0.3327 0.3327 0.5020 0.5020 1.6105 1.6105 1.9834 1.9834 2.0830 2.0830 2.3322 2.3322 4.6196 4.6196 4.7412 4.7412 4.8311 4.8311 4.8711 4.8711 4.9147 4.9147 5.3846 5.3846 5.6843 5.6843 6.4084 6.4084 6.4640 6.4640 7.0220 7.0220 8.8435 8.8435 14.5562 14.5562 14.7124 14.7124 k = 0.0192-0.0000-0.0000 ( 2689 PWs) bands (ev): -18.3632 -18.3632 -17.6309 -17.6309 -17.5910 -17.5910 -17.5552 -17.5552 -2.1371 -2.1371 -0.7559 -0.7559 -0.3230 -0.3230 0.0891 0.0891 0.2287 0.2287 0.3029 0.3029 0.3432 0.3432 0.4979 0.4979 1.6033 1.6033 1.9813 1.9813 2.0808 2.0808 2.3312 2.3312 4.6205 4.6205 4.7429 4.7429 4.8317 4.8317 4.8717 4.8717 4.9151 4.9151 5.3865 5.3865 5.6837 5.6837 6.4063 6.4063 6.4619 6.4619 7.0205 7.0205 8.8525 8.8525 14.5646 14.5646 14.7203 14.7203 k = 0.0288-0.0000-0.0000 ( 2693 PWs) bands (ev): -18.3616 -18.3616 -17.6306 -17.6306 -17.5908 -17.5908 -17.5553 -17.5553 -2.1335 -2.1335 -0.7549 -0.7549 -0.3197 -0.3197 0.0785 0.0785 0.2146 0.2146 0.3139 0.3139 0.3570 0.3570 0.4911 0.4911 1.5914 1.5914 1.9779 1.9779 2.0771 2.0771 2.3293 2.3293 4.6219 4.6219 4.7458 4.7458 4.8326 4.8326 4.8729 4.8729 4.9157 4.9157 5.3896 5.3896 5.6825 5.6825 6.4029 6.4029 6.4586 6.4586 7.0179 7.0179 8.8674 8.8674 14.5784 14.5784 14.7336 14.7336 k = 0.0385-0.0000-0.0000 ( 2693 PWs) bands (ev): -18.3594 -18.3594 -17.6303 -17.6303 -17.5906 -17.5906 -17.5555 -17.5555 -2.1285 -2.1285 -0.7536 -0.7536 -0.3150 -0.3150 0.0653 0.0653 0.1988 0.1988 0.3276 0.3276 0.3725 0.3725 0.4818 0.4818 1.5750 1.5750 1.9730 1.9730 2.0720 2.0720 2.3268 2.3268 4.6240 4.6240 4.7498 4.7498 4.8339 4.8339 4.8746 4.8746 4.9167 4.9167 5.3940 5.3940 5.6810 5.6810 6.3981 6.3981 6.4539 6.4539 7.0144 7.0144 8.8882 8.8882 14.5977 14.5977 14.7520 14.7520 k = 0.0481-0.0000-0.0000 ( 2701 PWs) bands (ev): -18.3565 -18.3565 -17.6299 -17.6299 -17.5903 -17.5903 -17.5557 -17.5557 -2.1221 -2.1221 -0.7520 -0.7520 -0.3091 -0.3091 0.0503 0.0503 0.1821 0.1821 0.3433 0.3433 0.3884 0.3884 0.4701 0.4701 1.5539 1.5539 1.9668 1.9668 2.0655 2.0655 2.3236 2.3236 4.6265 4.6265 4.7548 4.7548 4.8355 4.8355 4.8768 4.8768 4.9180 4.9180 5.3995 5.3995 5.6790 5.6790 6.3920 6.3920 6.4479 6.4479 7.0098 7.0098 8.9148 8.9148 14.6225 14.6225 14.7756 14.7756 k = 0.0577-0.0000-0.0000 ( 2705 PWs) bands (ev): -18.3530 -18.3530 -17.6293 -17.6293 -17.5900 -17.5900 -17.5560 -17.5560 -2.1142 -2.1142 -0.7500 -0.7500 -0.3018 -0.3018 0.0341 0.0341 0.1651 0.1651 0.3601 0.3601 0.4037 0.4037 0.4569 0.4569 1.5286 1.5286 1.9593 1.9593 2.0575 2.0575 2.3196 2.3196 4.6297 4.6297 4.7608 4.7608 4.8374 4.8374 4.8794 4.8794 4.9197 4.9197 5.4062 5.4062 5.6765 5.6765 6.3847 6.3847 6.4408 6.4408 7.0042 7.0042 8.9472 8.9472 14.6525 14.6525 14.8042 14.8042 k = 0.0673-0.0000-0.0000 ( 2699 PWs) bands (ev): -18.3489 -18.3489 -17.6287 -17.6287 -17.5896 -17.5896 -17.5563 -17.5563 -2.1050 -2.1050 -0.7477 -0.7477 -0.2933 -0.2933 0.0173 0.0173 0.1481 0.1481 0.3773 0.3773 0.4153 0.4153 0.4453 0.4453 1.4992 1.4992 1.9506 1.9506 2.0482 2.0482 2.3148 2.3148 4.6335 4.6335 4.7677 4.7677 4.8395 4.8395 4.8826 4.8826 4.9219 4.9219 5.4140 5.4140 5.6738 5.6738 6.3762 6.3762 6.4325 6.4325 6.9975 6.9975 8.9852 8.9852 14.6878 14.6878 14.8379 14.8379 k = 0.0769-0.0000-0.0000 ( 2703 PWs) bands (ev): -18.3442 -18.3442 -17.6280 -17.6280 -17.5891 -17.5891 -17.5567 -17.5567 -2.0943 -2.0943 -0.7450 -0.7450 -0.2834 -0.2834 0.0002 0.0002 0.1312 0.1312 0.3924 0.3924 0.4133 0.4133 0.4475 0.4475 1.4659 1.4659 1.9406 1.9406 2.0376 2.0376 2.3093 2.3093 4.6376 4.6376 4.7754 4.7754 4.8418 4.8418 4.8862 4.8862 4.9246 4.9246 5.4228 5.4228 5.6706 5.6706 6.3667 6.3667 6.4232 6.4232 6.9896 6.9896 9.0287 9.0287 14.7282 14.7282 14.8763 14.8763 k = 0.0865-0.0000-0.0000 ( 2687 PWs) bands (ev): -18.3388 -18.3388 -17.6271 -17.6271 -17.5886 -17.5886 -17.5572 -17.5572 -2.0823 -2.0823 -0.7421 -0.7421 -0.2722 -0.2722 -0.0170 -0.0170 0.1146 0.1146 0.3866 0.3866 0.4191 0.4191 0.4604 0.4604 1.4290 1.4290 1.9294 1.9294 2.0256 2.0256 2.3030 2.3030 4.6424 4.6424 4.7837 4.7837 4.8443 4.8443 4.8904 4.8904 4.9279 4.9279 5.4326 5.4326 5.6671 5.6671 6.3562 6.3562 6.4129 6.4129 6.9807 6.9807 9.0776 9.0776 14.7735 14.7735 14.9194 14.9194 k = 0.0962-0.0000-0.0000 ( 2685 PWs) bands (ev): -18.3329 -18.3329 -17.6262 -17.6262 -17.5881 -17.5881 -17.5578 -17.5578 -2.0690 -2.0690 -0.7388 -0.7388 -0.2598 -0.2598 -0.0341 -0.0341 0.0983 0.0983 0.3653 0.3653 0.4361 0.4361 0.4751 0.4751 1.3886 1.3886 1.9171 1.9171 2.0124 2.0124 2.2958 2.2958 4.6476 4.6476 4.7925 4.7925 4.8470 4.8470 4.8949 4.8949 4.9317 4.9317 5.4431 5.4431 5.6634 5.6634 6.3448 6.3448 6.4017 6.4017 6.9706 6.9706 9.1317 9.1317 14.8236 14.8236 14.9671 14.9671 k = 0.1058-0.0000-0.0000 ( 2689 PWs) bands (ev): -18.3264 -18.3264 -17.6253 -17.6253 -17.5875 -17.5875 -17.5584 -17.5584 -2.0543 -2.0543 -0.7354 -0.7354 -0.2462 -0.2462 -0.0510 -0.0510 0.0824 0.0824 0.3403 0.3403 0.4542 0.4542 0.4897 0.4897 1.3451 1.3451 1.9038 1.9038 1.9979 1.9979 2.2879 2.2879 4.6530 4.6530 4.8016 4.8016 4.8499 4.8499 4.9000 4.9000 4.9361 4.9361 5.4544 5.4544 5.6593 5.6593 6.3325 6.3325 6.3897 6.3897 6.9594 6.9594 9.1909 9.1909 14.8785 14.8785 15.0192 15.0192 k = 0.1154-0.0000-0.0000 ( 2693 PWs) bands (ev): -18.3193 -18.3193 -17.6242 -17.6242 -17.5868 -17.5868 -17.5592 -17.5592 -2.0384 -2.0384 -0.7317 -0.7317 -0.2313 -0.2313 -0.0675 -0.0675 0.0670 0.0670 0.3131 0.3131 0.4723 0.4723 0.5040 0.5040 1.2987 1.2987 1.8895 1.8895 1.9822 1.9822 2.2791 2.2791 4.6589 4.6589 4.8106 4.8106 4.8533 4.8533 4.9055 4.9055 4.9411 4.9411 5.4662 5.4662 5.6552 5.6552 6.3195 6.3195 6.3770 6.3770 6.9470 6.9470 9.2550 9.2550 14.9377 14.9377 15.0754 15.0754 k = 0.1250-0.0000-0.0000 ( 2695 PWs) bands (ev): -18.3116 -18.3116 -17.6231 -17.6231 -17.5861 -17.5861 -17.5601 -17.5601 -2.0212 -2.0212 -0.7278 -0.7278 -0.2152 -0.2152 -0.0836 -0.0836 0.0522 0.0522 0.2841 0.2841 0.4901 0.4901 0.5175 0.5175 1.2497 1.2497 1.8743 1.8743 1.9655 1.9655 2.2694 2.2694 4.6652 4.6652 4.8193 4.8193 4.8574 4.8574 4.9116 4.9116 4.9467 4.9467 5.4783 5.4783 5.6510 5.6510 6.3058 6.3058 6.3636 6.3636 6.9334 6.9334 9.3237 9.3237 15.0014 15.0014 15.1357 15.1357 k = 0.1346-0.0000-0.0000 ( 2695 PWs) bands (ev): -18.3034 -18.3034 -17.6218 -17.6218 -17.5854 -17.5854 -17.5611 -17.5611 -2.0028 -2.0028 -0.7238 -0.7238 -0.1980 -0.1980 -0.0991 -0.0991 0.0380 0.0380 0.2536 0.2536 0.5075 0.5075 0.5303 0.5303 1.1983 1.1983 1.8583 1.8583 1.9477 1.9477 2.2588 2.2588 4.6719 4.6719 4.8269 4.8269 4.8629 4.8629 4.9181 4.9181 4.9529 4.9529 5.4905 5.4905 5.6470 5.6470 6.2917 6.2917 6.3498 6.3498 6.9188 6.9188 9.3970 9.3970 15.0691 15.0691 15.1999 15.1999 k = 0.1442-0.0000-0.0000 ( 2695 PWs) bands (ev): -18.2946 -18.2946 -17.6205 -17.6205 -17.5846 -17.5846 -17.5622 -17.5622 -1.9831 -1.9831 -0.7196 -0.7196 -0.1796 -0.1796 -0.1140 -0.1140 0.0244 0.0244 0.2218 0.2218 0.5243 0.5243 0.5422 0.5422 1.1450 1.1450 1.8415 1.8415 1.9289 1.9289 2.2474 2.2474 4.6789 4.6789 4.8332 4.8332 4.8700 4.8700 4.9251 4.9251 4.9597 4.9597 5.5024 5.5024 5.6434 5.6434 6.2772 6.2772 6.3356 6.3356 6.9030 6.9030 9.4745 9.4745 15.1407 15.1407 15.2677 15.2677 k = 0.1538-0.0000-0.0000 ( 2699 PWs) bands (ev): -18.2854 -18.2854 -17.6192 -17.6192 -17.5838 -17.5838 -17.5635 -17.5635 -1.9624 -1.9624 -0.7153 -0.7153 -0.1604 -0.1604 -0.1281 -0.1281 0.0116 0.0116 0.1891 0.1891 0.5405 0.5405 0.5531 0.5531 1.0898 1.0898 1.8242 1.8242 1.9092 1.9092 2.2350 2.2350 4.6863 4.6863 4.8379 4.8379 4.8789 4.8789 4.9325 4.9325 4.9670 4.9670 5.5136 5.5136 5.6407 5.6407 6.2622 6.2622 6.3209 6.3209 6.8861 6.8861 9.5561 9.5561 15.2161 15.2161 15.3389 15.3389 k = 0.1635-0.0000-0.0000 ( 2703 PWs) bands (ev): -18.2756 -18.2756 -17.6178 -17.6178 -17.5829 -17.5829 -17.5649 -17.5649 -1.9405 -1.9405 -0.7110 -0.7110 -0.1450 -0.1450 -0.1368 -0.1368 -0.0005 -0.0005 0.1557 0.1557 0.5560 0.5560 0.5628 0.5628 1.0331 1.0331 1.8063 1.8063 1.8888 1.8888 2.2217 2.2217 4.6939 4.6939 4.8414 4.8414 4.8891 4.8891 4.9404 4.9404 4.9748 4.9748 5.5233 5.5233 5.6394 5.6394 6.2471 6.2471 6.3061 6.3061 6.8682 6.8682 9.6416 9.6416 15.2949 15.2949 15.4134 15.4134 k = 0.1731-0.0000-0.0000 ( 2695 PWs) bands (ev): -18.2654 -18.2654 -17.6163 -17.6163 -17.5821 -17.5821 -17.5664 -17.5664 -1.9175 -1.9175 -0.7067 -0.7067 -0.1555 -0.1555 -0.1181 -0.1181 -0.0117 -0.0117 0.1219 0.1219 0.5707 0.5707 0.5714 0.5714 0.9751 0.9751 1.7880 1.7880 1.8676 1.8676 2.2073 2.2073 4.7018 4.7018 4.8441 4.8441 4.9005 4.9005 4.9486 4.9486 4.9830 4.9830 5.5308 5.5308 5.6403 5.6403 6.2319 6.2319 6.2911 6.2911 6.8493 6.8493 9.7307 9.7307 15.3771 15.3771 15.4909 15.4909 k = 0.1827-0.0000-0.0000 ( 2695 PWs) bands (ev): -18.2547 -18.2547 -17.6148 -17.6148 -17.5812 -17.5812 -17.5682 -17.5682 -1.8935 -1.8935 -0.7023 -0.7023 -0.1674 -0.1674 -0.0969 -0.0969 -0.0220 -0.0220 0.0883 0.0883 0.5787 0.5787 0.5845 0.5845 0.9160 0.9160 1.7694 1.7694 1.8459 1.8459 2.1920 2.1920 4.7101 4.7101 4.8464 4.8464 4.9124 4.9124 4.9572 4.9572 4.9916 4.9916 5.5354 5.5354 5.6439 5.6439 6.2167 6.2167 6.2761 6.2761 6.8294 6.8294 9.8233 9.8233 15.4623 15.4623 15.5713 15.5713 k = 0.1923-0.0000-0.0000 ( 2687 PWs) bands (ev): -18.2435 -18.2435 -17.6132 -17.6132 -17.5803 -17.5803 -17.5701 -17.5701 -1.8684 -1.8684 -0.6980 -0.6980 -0.1785 -0.1785 -0.0768 -0.0768 -0.0309 -0.0309 0.0561 0.0561 0.5847 0.5847 0.5973 0.5973 0.8562 0.8562 1.7507 1.7507 1.8237 1.8237 2.1757 2.1757 4.7186 4.7186 4.8486 4.8486 4.9248 4.9248 4.9661 4.9661 5.0006 5.0006 5.5368 5.5368 5.6506 5.6506 6.2015 6.2015 6.2611 6.2611 6.8085 6.8085 9.9192 9.9192 15.5504 15.5504 15.6543 15.6543 k = 0.2019-0.0000-0.0000 ( 2689 PWs) bands (ev): -18.2320 -18.2320 -17.6115 -17.6115 -17.5794 -17.5794 -17.5722 -17.5722 -1.8425 -1.8425 -0.6939 -0.6939 -0.1888 -0.1888 -0.0624 -0.0624 -0.0377 -0.0377 0.0292 0.0292 0.5892 0.5892 0.6089 0.6089 0.7957 0.7957 1.7319 1.7319 1.8011 1.8011 2.1584 2.1584 4.7274 4.7274 4.8506 4.8506 4.9372 4.9372 4.9753 4.9753 5.0099 5.0099 5.5350 5.5350 5.6601 5.6601 6.1865 6.1865 6.2462 6.2462 6.7867 6.7867 10.0182 10.0182 15.6410 15.6410 15.7138 15.7138 k = 0.2115-0.0000-0.0000 ( 2693 PWs) bands (ev): -18.2200 -18.2200 -17.6099 -17.6099 -17.5785 -17.5785 -17.5744 -17.5744 -1.8157 -1.8157 -0.6899 -0.6899 -0.1982 -0.1982 -0.0632 -0.0632 -0.0443 -0.0443 0.0193 0.0193 0.5921 0.5921 0.6193 0.6193 0.7351 0.7351 1.7132 1.7132 1.7783 1.7783 2.1400 2.1400 4.7364 4.7364 4.8528 4.8528 4.9499 4.9499 4.9847 4.9847 5.0194 5.0194 5.5308 5.5308 5.6716 5.6716 6.1716 6.1716 6.2315 6.2315 6.7641 6.7641 10.1200 10.1200 15.7235 15.7235 15.7340 15.7340 k = 0.2212-0.0000-0.0000 ( 2689 PWs) bands (ev): -18.2077 -18.2077 -17.6082 -17.6082 -17.5782 -17.5782 -17.5764 -17.5764 -1.7880 -1.7880 -0.6861 -0.6861 -0.2067 -0.2067 -0.0815 -0.0815 -0.0543 -0.0543 0.0323 0.0323 0.5931 0.5931 0.6281 0.6281 0.6748 0.6748 1.6947 1.6947 1.7554 1.7554 2.1206 2.1206 4.7456 4.7456 4.8551 4.8551 4.9626 4.9626 4.9943 4.9943 5.0292 5.0292 5.5247 5.5247 5.6848 5.6848 6.1571 6.1571 6.2170 6.2170 6.7407 6.7407 10.2246 10.2246 15.7320 15.7320 15.8291 15.8291 k = 0.2308-0.0000-0.0000 ( 2691 PWs) bands (ev): -18.1950 -18.1950 -17.6065 -17.6065 -17.5802 -17.5802 -17.5762 -17.5762 -1.7595 -1.7595 -0.6826 -0.6826 -0.2143 -0.2143 -0.1106 -0.1106 -0.0615 -0.0615 0.0557 0.0557 0.5902 0.5902 0.6138 0.6138 0.6387 0.6387 1.6765 1.6765 1.7326 1.7326 2.1000 2.1000 4.7552 4.7552 4.8576 4.8576 4.9752 4.9752 5.0040 5.0040 5.0392 5.0392 5.5171 5.5171 5.6988 5.6988 6.1429 6.1429 6.2027 6.2027 6.7165 6.7165 10.3317 10.3317 15.7388 15.7388 15.9260 15.9260 k = 0.2404-0.0000-0.0000 ( 2687 PWs) bands (ev): -18.1819 -18.1819 -17.6047 -17.6047 -17.5832 -17.5832 -17.5754 -17.5754 -1.7303 -1.7303 -0.6793 -0.6793 -0.2209 -0.2209 -0.1432 -0.1432 -0.0670 -0.0670 0.0831 0.0831 0.5484 0.5484 0.5939 0.5939 0.6440 0.6440 1.6587 1.6587 1.7100 1.7100 2.0785 2.0785 4.7649 4.7649 4.8604 4.8604 4.9877 4.9877 5.0139 5.0139 5.0493 5.0493 5.5084 5.5084 5.7135 5.7135 6.1291 6.1291 6.1888 6.1888 6.6918 6.6918 10.4411 10.4411 15.7437 15.7437 16.0244 16.0244 k = 0.2500-0.0000-0.0000 ( 2679 PWs) bands (ev): -18.1685 -18.1685 -17.6030 -17.6030 -17.5865 -17.5865 -17.5745 -17.5745 -1.7004 -1.7004 -0.6763 -0.6763 -0.2265 -0.2265 -0.1764 -0.1764 -0.0712 -0.0712 0.1126 0.1126 0.4888 0.4888 0.5895 0.5895 0.6488 0.6488 1.6415 1.6415 1.6878 1.6878 2.0558 2.0558 4.7749 4.7749 4.8635 4.8635 5.0001 5.0001 5.0239 5.0239 5.0595 5.0595 5.4988 5.4988 5.7285 5.7285 6.1158 6.1158 6.1752 6.1752 6.6665 6.6665 10.5528 10.5528 15.7462 15.7462 16.1241 16.1241 k = 0.2596-0.0000-0.0000 ( 2681 PWs) bands (ev): -18.1549 -18.1549 -17.6012 -17.6012 -17.5900 -17.5900 -17.5736 -17.5736 -1.6699 -1.6699 -0.6737 -0.6737 -0.2316 -0.2316 -0.2092 -0.2092 -0.0743 -0.0743 0.1436 0.1436 0.4288 0.4288 0.5839 0.5839 0.6521 0.6521 1.6249 1.6249 1.6661 1.6661 2.0321 2.0321 4.7852 4.7852 4.8669 4.8669 5.0122 5.0122 5.0338 5.0338 5.0698 5.0698 5.4886 5.4886 5.7436 5.7436 6.1029 6.1029 6.1620 6.1620 6.6406 6.6406 10.6665 10.6665 15.7458 15.7458 16.2246 16.2246 k = 0.2692-0.0000-0.0000 ( 2677 PWs) bands (ev): -18.1410 -18.1410 -17.5995 -17.5995 -17.5938 -17.5938 -17.5727 -17.5727 -1.6388 -1.6388 -0.6716 -0.6716 -0.2456 -0.2456 -0.2315 -0.2315 -0.0764 -0.0764 0.1758 0.1758 0.3693 0.3693 0.5768 0.5768 0.6538 0.6538 1.6090 1.6090 1.6451 1.6451 2.0072 2.0072 4.7956 4.7956 4.8708 4.8708 5.0239 5.0239 5.0438 5.0438 5.0801 5.0801 5.4778 5.4778 5.7586 5.7586 6.0906 6.0906 6.1493 6.1493 6.6143 6.6143 10.7821 10.7821 15.7421 15.7421 16.3257 16.3257 k = 0.2788-0.0000-0.0000 ( 2677 PWs) bands (ev): -18.1268 -18.1268 -17.5990 -17.5990 -17.5967 -17.5967 -17.5718 -17.5718 -1.6073 -1.6073 -0.6699 -0.6699 -0.2763 -0.2763 -0.2354 -0.2354 -0.0775 -0.0775 0.2089 0.2089 0.3106 0.3106 0.5681 0.5681 0.6537 0.6537 1.5939 1.5939 1.6249 1.6249 1.9813 1.9813 4.8063 4.8063 4.8750 4.8750 5.0352 5.0352 5.0538 5.0538 5.0904 5.0904 5.4666 5.4666 5.7735 5.7735 6.0789 6.0789 6.1371 6.1371 6.5877 6.5877 10.8995 10.8995 15.7343 15.7343 16.4271 16.4271 k = 0.2885-0.0000-0.0000 ( 2679 PWs) bands (ev): -18.1125 -18.1125 -17.6029 -17.6029 -17.5955 -17.5955 -17.5710 -17.5710 -1.5753 -1.5753 -0.6687 -0.6687 -0.3073 -0.3073 -0.2369 -0.2369 -0.0776 -0.0776 0.2410 0.2410 0.2547 0.2547 0.5577 0.5577 0.6518 0.6518 1.5795 1.5795 1.6057 1.6057 1.9544 1.9544 4.8172 4.8172 4.8797 4.8797 5.0460 5.0460 5.0637 5.0637 5.1006 5.1006 5.4549 5.4549 5.7881 5.7881 6.0678 6.0678 6.1253 6.1253 6.5608 6.5608 11.0185 11.0185 15.7220 15.7220 16.5282 16.5282 k = 0.2981-0.0000-0.0000 ( 2683 PWs) bands (ev): -18.0979 -18.0979 -17.6076 -17.6076 -17.5938 -17.5938 -17.5701 -17.5701 -1.5429 -1.5429 -0.6681 -0.6681 -0.3375 -0.3375 -0.2371 -0.2371 -0.0766 -0.0766 0.1949 0.1949 0.2790 0.2790 0.5457 0.5457 0.6481 0.6481 1.5660 1.5660 1.5877 1.5877 1.9263 1.9263 4.8283 4.8283 4.8848 4.8848 5.0562 5.0562 5.0735 5.0735 5.1108 5.1108 5.4429 5.4429 5.8024 5.8024 6.0573 6.0573 6.1140 6.1140 6.5338 6.5338 11.1390 11.1390 15.7043 15.7043 16.6289 16.6289 k = 0.3077-0.0000-0.0000 ( 2679 PWs) bands (ev): -18.0832 -18.0832 -17.6128 -17.6128 -17.5921 -17.5921 -17.5693 -17.5693 -1.5102 -1.5102 -0.6681 -0.6681 -0.3666 -0.3666 -0.2361 -0.2361 -0.0747 -0.0747 0.1391 0.1391 0.3148 0.3148 0.5322 0.5322 0.6426 0.6426 1.5531 1.5531 1.5710 1.5710 1.8972 1.8972 4.8396 4.8396 4.8904 4.8904 5.0657 5.0657 5.0832 5.0832 5.1209 5.1209 5.4307 5.4307 5.8164 5.8164 6.0475 6.0475 6.1032 6.1032 6.5067 6.5067 11.2609 11.2609 15.6806 15.6806 16.7289 16.7289 k = 0.3173-0.0000-0.0000 ( 2681 PWs) bands (ev): -18.0683 -18.0683 -17.6183 -17.6183 -17.5904 -17.5904 -17.5686 -17.5686 -1.4773 -1.4773 -0.6688 -0.6688 -0.3943 -0.3943 -0.2341 -0.2341 -0.0717 -0.0717 0.0844 0.0844 0.3515 0.3515 0.5173 0.5173 0.6351 0.6351 1.5409 1.5409 1.5559 1.5559 1.8671 1.8671 4.8512 4.8512 4.8964 4.8964 5.0745 5.0745 5.0927 5.0927 5.1308 5.1308 5.4183 5.4183 5.8299 5.8299 6.0382 6.0382 6.0930 6.0930 6.4796 6.4796 11.3841 11.3841 15.6501 15.6501 16.8280 16.8280 k = 0.3269-0.0000-0.0000 ( 2677 PWs) bands (ev): -18.0534 -18.0534 -17.6241 -17.6241 -17.5886 -17.5886 -17.5679 -17.5679 -1.4442 -1.4442 -0.6701 -0.6701 -0.4207 -0.4207 -0.2309 -0.2309 -0.0679 -0.0679 0.0310 0.0310 0.3888 0.3888 0.5013 0.5013 0.6259 0.6259 1.5292 1.5292 1.5424 1.5424 1.8360 1.8360 4.8629 4.8629 4.9030 4.9030 5.0825 5.0825 5.1021 5.1021 5.1405 5.1405 5.4058 5.4058 5.8431 5.8431 6.0297 6.0297 6.0834 6.0834 6.4526 6.4526 11.5085 11.5085 15.6121 15.6121 16.9258 16.9258 k = 0.3365-0.0000-0.0000 ( 2683 PWs) bands (ev): -18.0383 -18.0383 -17.6304 -17.6304 -17.5869 -17.5869 -17.5672 -17.5672 -1.4110 -1.4110 -0.6721 -0.6721 -0.4456 -0.4456 -0.2266 -0.2266 -0.0632 -0.0632 -0.0208 -0.0208 0.4263 0.4263 0.4846 0.4846 0.6149 0.6149 1.5181 1.5181 1.5305 1.5305 1.8039 1.8039 4.8747 4.8747 4.9100 4.9100 5.0897 5.0897 5.1110 5.1110 5.1499 5.1499 5.3931 5.3931 5.8558 5.8558 6.0218 6.0218 6.0743 6.0743 6.4258 6.4258 11.6339 11.6339 15.5661 15.5661 17.0222 17.0222 k = 0.3462-0.0000-0.0000 ( 2667 PWs) bands (ev): -18.0232 -18.0232 -17.6369 -17.6369 -17.5852 -17.5852 -17.5666 -17.5666 -1.3777 -1.3777 -0.6749 -0.6749 -0.4689 -0.4689 -0.2211 -0.2211 -0.0726 -0.0726 -0.0562 -0.0562 0.4565 0.4565 0.4748 0.4748 0.6023 0.6023 1.5075 1.5075 1.5203 1.5203 1.7708 1.7708 4.8869 4.8869 4.9176 4.9176 5.0960 5.0960 5.1195 5.1195 5.1592 5.1592 5.3805 5.3805 5.8683 5.8683 6.0146 6.0146 6.0658 6.0658 6.3993 6.3993 11.7603 11.7603 15.5119 15.5119 17.1155 17.1155 k = 0.3558-0.0000-0.0000 ( 2655 PWs) bands (ev): -18.0081 -18.0081 -17.6439 -17.6439 -17.5836 -17.5836 -17.5660 -17.5660 -1.3444 -1.3444 -0.6786 -0.6786 -0.4905 -0.4905 -0.2146 -0.2146 -0.1206 -0.1206 -0.0504 -0.0504 0.4441 0.4441 0.5072 0.5072 0.5883 0.5883 1.4977 1.4977 1.5114 1.5114 1.7368 1.7368 4.8993 4.8993 4.9256 4.9256 5.1015 5.1015 5.1274 5.1274 5.1683 5.1683 5.3679 5.3679 5.8802 5.8802 6.0081 6.0081 6.0579 6.0579 6.3732 6.3732 11.8875 11.8875 15.4492 15.4492 17.1697 17.1697 k = 0.3654-0.0000-0.0000 ( 2663 PWs) bands (ev): -17.9929 -17.9929 -17.6512 -17.6512 -17.5820 -17.5820 -17.5655 -17.5655 -1.3112 -1.3112 -0.6831 -0.6831 -0.5105 -0.5105 -0.2072 -0.2072 -0.1676 -0.1676 -0.0432 -0.0432 0.4250 0.4250 0.5449 0.5449 0.5742 0.5742 1.4888 1.4888 1.5035 1.5035 1.7019 1.7019 4.9115 4.9115 4.9340 4.9340 5.1060 5.1060 5.1345 5.1345 5.1769 5.1769 5.3555 5.3555 5.8916 5.8916 6.0022 6.0022 6.0505 6.0505 6.3475 6.3475 12.0155 12.0155 15.3782 15.3782 17.1421 17.1421 k = 0.3750-0.0000-0.0000 ( 2667 PWs) bands (ev): -17.9778 -17.9778 -17.6589 -17.6589 -17.5805 -17.5805 -17.5651 -17.5651 -1.2781 -1.2781 -0.6885 -0.6885 -0.5287 -0.5287 -0.2142 -0.2142 -0.1973 -0.1973 -0.0354 -0.0354 0.4050 0.4050 0.5523 0.5523 0.5901 0.5901 1.4810 1.4810 1.4965 1.4965 1.6662 1.6662 4.9239 4.9239 4.9429 4.9429 5.1095 5.1095 5.1407 5.1407 5.1852 5.1852 5.3433 5.3433 5.9025 5.9025 5.9970 5.9970 6.0438 6.0438 6.3224 6.3224 12.1442 12.1442 15.2994 15.2994 17.1161 17.1161 k = 0.3846-0.0000-0.0000 ( 2669 PWs) bands (ev): -17.9627 -17.9627 -17.6671 -17.6671 -17.5790 -17.5790 -17.5648 -17.5648 -1.2452 -1.2452 -0.6950 -0.6950 -0.5450 -0.5450 -0.2570 -0.2570 -0.1883 -0.1883 -0.0271 -0.0271 0.3849 0.3849 0.5352 0.5352 0.6299 0.6299 1.4742 1.4742 1.4903 1.4903 1.6296 1.6296 4.9363 4.9363 4.9522 4.9522 5.1122 5.1122 5.1460 5.1460 5.1932 5.1932 5.3317 5.3317 5.9130 5.9130 5.9924 5.9924 6.0377 6.0377 6.2979 6.2979 12.2735 12.2735 15.2132 15.2132 17.0969 17.0969 k = 0.3942-0.0000-0.0000 ( 2667 PWs) bands (ev): -17.9477 -17.9477 -17.6755 -17.6755 -17.5776 -17.5776 -17.5644 -17.5644 -1.2124 -1.2124 -0.7025 -0.7025 -0.5595 -0.5595 -0.2984 -0.2984 -0.1777 -0.1777 -0.0184 -0.0184 0.3650 0.3650 0.5162 0.5162 0.6712 0.6712 1.4684 1.4684 1.4847 1.4847 1.5923 1.5923 4.9487 4.9487 4.9620 4.9620 5.1138 5.1138 5.1500 5.1500 5.2008 5.2008 5.3206 5.3206 5.9230 5.9230 5.9884 5.9884 6.0324 6.0324 6.2742 6.2742 12.4033 12.4033 15.1203 15.1203 17.0845 17.0845 k = 0.4038-0.0000-0.0000 ( 2667 PWs) bands (ev): -17.9328 -17.9328 -17.6844 -17.6844 -17.5762 -17.5762 -17.5642 -17.5642 -1.1800 -1.1800 -0.7112 -0.7112 -0.5720 -0.5720 -0.3377 -0.3377 -0.1662 -0.1662 -0.0098 -0.0098 0.3457 0.3457 0.4962 0.4962 0.7130 0.7130 1.4636 1.4636 1.4797 1.4797 1.5542 1.5542 4.9610 4.9610 4.9723 4.9723 5.1145 5.1145 5.1527 5.1527 5.2080 5.2080 5.3102 5.3102 5.9324 5.9324 5.9850 5.9850 6.0279 6.0279 6.2512 6.2512 12.5335 12.5335 15.0214 15.0214 17.0786 17.0786 k = 0.4135-0.0000-0.0000 ( 2667 PWs) bands (ev): -17.9180 -17.9180 -17.6937 -17.6937 -17.5749 -17.5749 -17.5641 -17.5641 -1.1479 -1.1479 -0.7211 -0.7211 -0.5826 -0.5826 -0.3747 -0.3747 -0.1537 -0.1537 -0.0015 -0.0015 0.3274 0.3274 0.4756 0.4756 0.7552 0.7552 1.4596 1.4596 1.4751 1.4751 1.5156 1.5156 4.9731 4.9731 4.9831 4.9831 5.1141 5.1141 5.1538 5.1538 5.2147 5.2147 5.3007 5.3007 5.9412 5.9412 5.9822 5.9822 6.0245 6.0245 6.2290 6.2290 12.6641 12.6641 14.9173 14.9173 17.0785 17.0785 k = 0.4231-0.0000-0.0000 ( 2669 PWs) bands (ev): -17.9034 -17.9034 -17.7033 -17.7033 -17.5736 -17.5736 -17.5640 -17.5640 -1.1162 -1.1162 -0.7325 -0.7325 -0.5912 -0.5912 -0.4093 -0.4093 -0.1404 -0.1404 0.0060 0.0060 0.3107 0.3107 0.4545 0.4545 0.7977 0.7977 1.4563 1.4563 1.4695 1.4695 1.4778 1.4778 4.9848 4.9848 4.9944 4.9944 5.1127 5.1127 5.1531 5.1531 5.2211 5.2211 5.2924 5.2924 5.9491 5.9491 5.9800 5.9800 6.0223 6.0223 6.2078 6.2078 12.7949 12.7949 14.8086 14.8086 17.0837 17.0837 k = 0.4327-0.0000-0.0000 ( 2667 PWs) bands (ev): -17.8889 -17.8889 -17.7134 -17.7134 -17.5724 -17.5724 -17.5640 -17.5640 -1.0848 -1.0848 -0.7453 -0.7453 -0.5978 -0.5978 -0.4414 -0.4414 -0.1263 -0.1263 0.0122 0.0122 0.2962 0.2962 0.4333 0.4333 0.8405 0.8405 1.4350 1.4350 1.4544 1.4544 1.4682 1.4682 4.9963 4.9963 5.0062 5.0062 5.1104 5.1104 5.1505 5.1505 5.2270 5.2270 5.2852 5.2852 5.9558 5.9558 5.9783 5.9783 6.0217 6.0217 6.1874 6.1874 12.9258 12.9258 14.6959 14.6959 17.0938 17.0938 k = 0.4423-0.0000-0.0000 ( 2663 PWs) bands (ev): -17.8746 -17.8746 -17.7238 -17.7238 -17.5713 -17.5713 -17.5640 -17.5640 -1.0540 -1.0540 -0.7598 -0.7598 -0.6024 -0.6024 -0.4706 -0.4706 -0.1116 -0.1116 0.0165 0.0165 0.2847 0.2847 0.4121 0.4121 0.8835 0.8835 1.3948 1.3948 1.4524 1.4524 1.4647 1.4647 5.0075 5.0075 5.0183 5.0183 5.1071 5.1071 5.1461 5.1461 5.2325 5.2325 5.2791 5.2791 5.9611 5.9611 5.9772 5.9772 6.0230 6.0230 6.1681 6.1681 13.0568 13.0568 14.5799 14.5799 17.1083 17.1083 k = 0.4519-0.0000-0.0000 ( 2655 PWs) bands (ev): -17.8604 -17.8604 -17.7345 -17.7345 -17.5703 -17.5703 -17.5642 -17.5642 -1.0237 -1.0237 -0.7760 -0.7760 -0.6048 -0.6048 -0.4970 -0.4970 -0.0964 -0.0964 0.0180 0.0180 0.2769 0.2769 0.3911 0.3911 0.9267 0.9267 1.3538 1.3538 1.4512 1.4512 1.4618 1.4618 5.0185 5.0185 5.0306 5.0306 5.1029 5.1029 5.1400 5.1400 5.2376 5.2376 5.2741 5.2741 5.9648 5.9648 5.9763 5.9763 6.0267 6.0267 6.1498 6.1498 13.1877 13.1877 14.4610 14.4610 17.1270 17.1270 k = 0.4615-0.0000-0.0000 ( 2655 PWs) bands (ev): -17.8466 -17.8466 -17.7457 -17.7457 -17.5693 -17.5693 -17.5644 -17.5644 -0.9941 -0.9941 -0.7941 -0.7941 -0.6052 -0.6052 -0.5203 -0.5203 -0.0808 -0.0808 0.0164 0.0164 0.2734 0.2734 0.3707 0.3707 0.9699 0.9699 1.3122 1.3122 1.4506 1.4506 1.4593 1.4593 5.0292 5.0292 5.0430 5.0430 5.0976 5.0976 5.1324 5.1324 5.2422 5.2422 5.2700 5.2700 5.9671 5.9671 5.9756 5.9756 6.0326 6.0326 6.1324 6.1324 13.3185 13.3185 14.3396 14.3396 17.1493 17.1493 k = 0.4712-0.0000-0.0000 ( 2647 PWs) bands (ev): -17.8329 -17.8329 -17.7571 -17.7571 -17.5684 -17.5684 -17.5647 -17.5647 -0.9651 -0.9651 -0.8140 -0.8140 -0.6033 -0.6033 -0.5406 -0.5406 -0.0650 -0.0650 0.0115 0.0115 0.2743 0.2743 0.3511 0.3511 1.0132 1.0132 1.2703 1.2703 1.4504 1.4504 1.4570 1.4570 5.0396 5.0396 5.0554 5.0554 5.0915 5.0915 5.1234 5.1234 5.2465 5.2465 5.2664 5.2664 5.9687 5.9687 5.9748 5.9748 6.0405 6.0405 6.1161 6.1161 13.4489 13.4489 14.2162 14.2162 17.1752 17.1752 k = 0.4808-0.0000-0.0000 ( 2647 PWs) bands (ev): -17.8195 -17.8195 -17.7690 -17.7690 -17.5676 -17.5676 -17.5652 -17.5652 -0.9370 -0.9370 -0.8357 -0.8357 -0.5992 -0.5992 -0.5579 -0.5579 -0.0495 -0.0495 0.0035 0.0035 0.2795 0.2795 0.3327 0.3327 1.0564 1.0564 1.2280 1.2280 1.4506 1.4506 1.4551 1.4551 5.0496 5.0496 5.0676 5.0676 5.0845 5.0845 5.1135 5.1135 5.2503 5.2503 5.2632 5.2632 5.9699 5.9699 5.9739 5.9739 6.0501 6.0501 6.1008 6.1008 13.5789 13.5789 14.0912 14.0912 17.2044 17.2044 k = 0.4904-0.0000-0.0000 ( 2654 PWs) bands (ev): -17.8065 -17.8065 -17.7812 -17.7812 -17.5668 -17.5668 -17.5656 -17.5656 -0.9098 -0.9098 -0.8590 -0.8590 -0.5928 -0.5928 -0.5723 -0.5723 -0.0343 -0.0343 -0.0073 -0.0073 0.2886 0.2886 0.3158 0.3158 1.0995 1.0995 1.1854 1.1854 1.4512 1.4512 1.4535 1.4535 5.0592 5.0592 5.0764 5.0764 5.0799 5.0799 5.1027 5.1027 5.2538 5.2538 5.2601 5.2601 5.9708 5.9708 5.9729 5.9729 6.0610 6.0610 6.0864 6.0864 13.7083 13.7083 13.9646 13.9646 17.2367 17.2367 k = 0.5000-0.0000-0.0000 ( 2654 PWs) bands (ev): -17.7937 -17.7937 -17.7937 -17.7937 -17.5662 -17.5662 -17.5662 -17.5662 -0.8838 -0.8838 -0.8838 -0.8838 -0.5838 -0.5838 -0.5838 -0.5838 -0.0201 -0.0201 -0.0201 -0.0201 0.3009 0.3009 0.3009 0.3009 1.1426 1.1426 1.1426 1.1426 1.4522 1.4522 1.4522 1.4522 5.0682 5.0682 5.0682 5.0682 5.0914 5.0914 5.0914 5.0914 5.2570 5.2570 5.2570 5.2570 5.9718 5.9718 5.9718 5.9718 6.0732 6.0732 6.0732 6.0732 13.8369 13.8369 13.8369 13.8369 17.2720 17.2720 k = 0.5000-0.0000-0.0000 ( 2654 PWs) bands (ev): -17.7937 -17.7937 -17.7937 -17.7937 -17.5662 -17.5662 -17.5662 -17.5662 -0.8838 -0.8838 -0.8838 -0.8838 -0.5838 -0.5838 -0.5838 -0.5838 -0.0201 -0.0201 -0.0201 -0.0201 0.3009 0.3009 0.3009 0.3009 1.1426 1.1426 1.1426 1.1426 1.4522 1.4522 1.4522 1.4522 5.0682 5.0682 5.0682 5.0682 5.0914 5.0914 5.0914 5.0914 5.2570 5.2570 5.2570 5.2570 5.9718 5.9718 5.9718 5.9718 6.0732 6.0732 6.0732 6.0732 13.8369 13.8369 13.8369 13.8369 17.2720 17.2720 k = 0.5000 0.0096-0.0000 ( 2658 PWs) bands (ev): -17.7936 -17.7936 -17.7935 -17.7935 -17.5663 -17.5663 -17.5663 -17.5663 -0.8838 -0.8838 -0.8837 -0.8837 -0.5846 -0.5846 -0.5845 -0.5845 -0.0208 -0.0208 -0.0198 -0.0198 0.3000 0.3000 0.3018 0.3018 1.1425 1.1425 1.1444 1.1444 1.4524 1.4524 1.4526 1.4526 5.0669 5.0669 5.0677 5.0677 5.0872 5.0872 5.0961 5.0961 5.2528 5.2528 5.2618 5.2618 5.9595 5.9595 5.9715 5.9715 6.0737 6.0737 6.0864 6.0864 13.8375 13.8375 13.8382 13.8382 17.2684 17.2684 k = 0.5000 0.0192-0.0000 ( 2660 PWs) bands (ev): -17.7933 -17.7933 -17.7931 -17.7931 -17.5667 -17.5667 -17.5666 -17.5666 -0.8839 -0.8839 -0.8837 -0.8837 -0.5867 -0.5867 -0.5864 -0.5864 -0.0219 -0.0219 -0.0200 -0.0200 0.2990 0.2990 0.3027 0.3027 1.1442 1.1442 1.1479 1.1479 1.4532 1.4532 1.4536 1.4536 5.0641 5.0641 5.0644 5.0644 5.0843 5.0843 5.1006 5.1006 5.2490 5.2490 5.2668 5.2668 5.9405 5.9405 5.9589 5.9589 6.0877 6.0877 6.1075 6.1075 13.8398 13.8398 13.8412 13.8412 17.2587 17.2587 k = 0.5000 0.0288-0.0000 ( 2656 PWs) bands (ev): -17.7928 -17.7928 -17.7925 -17.7925 -17.5672 -17.5672 -17.5671 -17.5671 -0.8840 -0.8840 -0.8837 -0.8837 -0.5900 -0.5900 -0.5897 -0.5897 -0.0233 -0.0233 -0.0206 -0.0206 0.2981 0.2981 0.3036 0.3036 1.1476 1.1476 1.1530 1.1530 1.4547 1.4547 1.4552 1.4552 5.0586 5.0586 5.0603 5.0603 5.0829 5.0829 5.1047 5.1047 5.2460 5.2460 5.2720 5.2720 5.9189 5.9189 5.9399 5.9399 6.1093 6.1093 6.1325 6.1325 13.8440 13.8440 13.8460 13.8460 17.2428 17.2428 k = 0.5000 0.0384-0.0000 ( 2670 PWs) bands (ev): -17.7921 -17.7921 -17.7918 -17.7918 -17.5680 -17.5680 -17.5678 -17.5678 -0.8842 -0.8842 -0.8837 -0.8837 -0.5946 -0.5946 -0.5942 -0.5942 -0.0252 -0.0252 -0.0217 -0.0217 0.2972 0.2972 0.3045 0.3045 1.1525 1.1525 1.1596 1.1596 1.4570 1.4570 1.4575 1.4575 5.0508 5.0508 5.0552 5.0552 5.0823 5.0823 5.1082 5.1082 5.2435 5.2435 5.2773 5.2773 5.8964 5.8964 5.9186 5.9186 6.1344 6.1344 6.1593 6.1593 13.8499 13.8499 13.8526 13.8526 17.2209 17.2209 k = 0.5000 0.0480-0.0000 ( 2666 PWs) bands (ev): -17.7912 -17.7912 -17.7907 -17.7907 -17.5690 -17.5690 -17.5687 -17.5687 -0.8844 -0.8844 -0.8838 -0.8838 -0.6002 -0.6002 -0.5997 -0.5997 -0.0274 -0.0274 -0.0232 -0.0232 0.2963 0.2963 0.3054 0.3054 1.1586 1.1586 1.1674 1.1674 1.4601 1.4601 1.4608 1.4608 5.0418 5.0418 5.0492 5.0492 5.0820 5.0820 5.1112 5.1112 5.2419 5.2419 5.2825 5.2825 5.8739 5.8739 5.8966 5.8966 6.1613 6.1613 6.1873 6.1873 13.8576 13.8576 13.8610 13.8610 17.1928 17.1928 k = 0.5000 0.0576-0.0000 ( 2670 PWs) bands (ev): -17.7901 -17.7901 -17.7895 -17.7895 -17.5701 -17.5701 -17.5698 -17.5698 -0.8848 -0.8848 -0.8841 -0.8841 -0.6067 -0.6067 -0.6063 -0.6063 -0.0300 -0.0300 -0.0252 -0.0252 0.2955 0.2955 0.3063 0.3063 1.1659 1.1659 1.1760 1.1760 1.4644 1.4644 1.4649 1.4649 5.0318 5.0318 5.0419 5.0419 5.0817 5.0817 5.1137 5.1137 5.2410 5.2410 5.2877 5.2877 5.8517 5.8517 5.8747 5.8747 6.1893 6.1893 6.2160 6.2160 13.8672 13.8672 13.8712 13.8712 17.1586 17.1586 k = 0.5000 0.0672-0.0000 ( 2674 PWs) bands (ev): -17.7887 -17.7887 -17.7881 -17.7881 -17.5715 -17.5715 -17.5711 -17.5711 -0.8855 -0.8855 -0.8846 -0.8846 -0.6139 -0.6139 -0.6136 -0.6136 -0.0330 -0.0330 -0.0277 -0.0277 0.2947 0.2947 0.3073 0.3073 1.1739 1.1739 1.1852 1.1852 1.4698 1.4698 1.4703 1.4703 5.0211 5.0211 5.0336 5.0336 5.0814 5.0814 5.1157 5.1157 5.2407 5.2407 5.2927 5.2927 5.8300 5.8300 5.8531 5.8531 6.2179 6.2179 6.2452 6.2452 13.8786 13.8786 13.8833 13.8833 17.1184 17.1184 k = 0.5000 0.0768-0.0000 ( 2670 PWs) bands (ev): -17.7872 -17.7872 -17.7865 -17.7865 -17.5731 -17.5731 -17.5726 -17.5726 -0.8864 -0.8864 -0.8853 -0.8853 -0.6215 -0.6215 -0.6215 -0.6215 -0.0363 -0.0363 -0.0305 -0.0305 0.2941 0.2941 0.3083 0.3083 1.1822 1.1822 1.1945 1.1945 1.4768 1.4768 1.4769 1.4769 5.0099 5.0099 5.0243 5.0243 5.0811 5.0811 5.1174 5.1174 5.2411 5.2411 5.2975 5.2975 5.8091 5.8091 5.8323 5.8323 6.2469 6.2469 6.2746 6.2746 13.8918 13.8918 13.8972 13.8972 17.0724 17.0724 k = 0.5000 0.0864-0.0000 ( 2678 PWs) bands (ev): -17.7855 -17.7855 -17.7847 -17.7847 -17.5748 -17.5748 -17.5743 -17.5743 -0.8878 -0.8878 -0.8864 -0.8864 -0.6297 -0.6297 -0.6295 -0.6295 -0.0399 -0.0399 -0.0339 -0.0339 0.2935 0.2935 0.3093 0.3093 1.1906 1.1906 1.2037 1.2037 1.4850 1.4850 1.4854 1.4854 4.9980 4.9980 5.0140 5.0140 5.0806 5.0806 5.1188 5.1188 5.2418 5.2418 5.3019 5.3019 5.7888 5.7888 5.8122 5.8122 6.2761 6.2761 6.3041 6.3041 13.9069 13.9069 13.9129 13.9129 17.0208 17.0208 k = 0.5000 0.0960-0.0000 ( 2670 PWs) bands (ev): -17.7835 -17.7835 -17.7826 -17.7826 -17.5767 -17.5767 -17.5762 -17.5762 -0.8895 -0.8895 -0.8879 -0.8879 -0.6381 -0.6381 -0.6376 -0.6376 -0.0439 -0.0439 -0.0376 -0.0376 0.2931 0.2931 0.3104 0.3104 1.1987 1.1987 1.2123 1.2123 1.4949 1.4949 1.4958 1.4958 4.9858 4.9858 5.0029 5.0029 5.0801 5.0801 5.1201 5.1201 5.2430 5.2430 5.3061 5.3061 5.7693 5.7693 5.7931 5.7931 6.3055 6.3055 6.3337 6.3337 13.9239 13.9239 13.9305 13.9305 16.9640 16.9640 k = 0.5000 0.1056-0.0000 ( 2670 PWs) bands (ev): -17.7814 -17.7814 -17.7804 -17.7804 -17.5789 -17.5789 -17.5783 -17.5783 -0.8919 -0.8919 -0.8900 -0.8900 -0.6464 -0.6464 -0.6455 -0.6455 -0.0482 -0.0482 -0.0417 -0.0417 0.2928 0.2928 0.3116 0.3116 1.2062 1.2062 1.2200 1.2200 1.5064 1.5064 1.5082 1.5082 4.9731 4.9731 4.9911 4.9911 5.0795 5.0795 5.1212 5.1212 5.2443 5.2443 5.3100 5.3100 5.7507 5.7507 5.7748 5.7748 6.3347 6.3347 6.3632 6.3632 13.9428 13.9428 13.9500 13.9500 16.9024 16.9024 k = 0.5000 0.1152-0.0000 ( 2678 PWs) bands (ev): -17.7791 -17.7791 -17.7780 -17.7780 -17.5812 -17.5812 -17.5806 -17.5806 -0.8950 -0.8950 -0.8928 -0.8928 -0.6543 -0.6543 -0.6530 -0.6530 -0.0528 -0.0528 -0.0462 -0.0462 0.2926 0.2926 0.3129 0.3129 1.2129 1.2129 1.2266 1.2266 1.5198 1.5198 1.5225 1.5225 4.9601 4.9601 4.9786 4.9786 5.0789 5.0789 5.1221 5.1221 5.2457 5.2457 5.3134 5.3134 5.7329 5.7329 5.7574 5.7574 6.3637 6.3637 6.3924 6.3924 13.9636 13.9636 13.9714 13.9714 16.8364 16.8364 k = 0.5000 0.1248-0.0000 ( 2676 PWs) bands (ev): -17.7766 -17.7766 -17.7755 -17.7755 -17.5836 -17.5836 -17.5830 -17.5830 -0.8988 -0.8988 -0.8963 -0.8963 -0.6617 -0.6617 -0.6599 -0.6599 -0.0577 -0.0577 -0.0510 -0.0510 0.2926 0.2926 0.3142 0.3142 1.2185 1.2185 1.2320 1.2320 1.5350 1.5350 1.5387 1.5387 4.9468 4.9468 4.9656 4.9656 5.0782 5.0782 5.1230 5.1230 5.2472 5.2472 5.3165 5.3165 5.7159 5.7159 5.7410 5.7410 6.3925 6.3925 6.4213 6.4213 13.9863 13.9863 13.9947 13.9947 16.7667 16.7667 k = 0.5000 0.1344-0.0000 ( 2676 PWs) bands (ev): -17.7740 -17.7740 -17.7727 -17.7727 -17.5863 -17.5863 -17.5856 -17.5856 -0.9035 -0.9035 -0.9007 -0.9007 -0.6683 -0.6683 -0.6660 -0.6660 -0.0629 -0.0629 -0.0561 -0.0561 0.2928 0.2928 0.3156 0.3156 1.2230 1.2230 1.2362 1.2362 1.5519 1.5519 1.5568 1.5568 4.9334 4.9334 4.9523 4.9523 5.0774 5.0774 5.1238 5.1238 5.2487 5.2487 5.3193 5.3193 5.6999 5.6999 5.7257 5.7257 6.4208 6.4208 6.4498 6.4498 14.0110 14.0110 14.0200 14.0200 16.6936 16.6936 k = 0.5000 0.1440-0.0000 ( 2674 PWs) bands (ev): -17.7712 -17.7712 -17.7699 -17.7699 -17.5891 -17.5891 -17.5884 -17.5884 -0.9089 -0.9089 -0.9059 -0.9059 -0.6740 -0.6740 -0.6713 -0.6713 -0.0683 -0.0683 -0.0616 -0.0616 0.2932 0.2932 0.3171 0.3171 1.2264 1.2264 1.2392 1.2392 1.5704 1.5704 1.5764 1.5764 4.9198 4.9198 4.9386 4.9386 5.0766 5.0766 5.1245 5.1245 5.2502 5.2502 5.3216 5.3216 5.6847 5.6847 5.7113 5.7113 6.4487 6.4487 6.4777 6.4777 14.0376 14.0376 14.0472 14.0472 16.6177 16.6177 k = 0.5000 0.1536-0.0000 ( 2678 PWs) bands (ev): -17.7682 -17.7682 -17.7668 -17.7668 -17.5920 -17.5920 -17.5913 -17.5913 -0.9152 -0.9152 -0.9119 -0.9119 -0.6786 -0.6786 -0.6755 -0.6755 -0.0740 -0.0740 -0.0672 -0.0672 0.2938 0.2938 0.3187 0.3187 1.2287 1.2287 1.2410 1.2410 1.5901 1.5901 1.5972 1.5972 4.9061 4.9061 4.9247 4.9247 5.0758 5.0758 5.1252 5.1252 5.2515 5.2515 5.3236 5.3236 5.6704 5.6704 5.6979 5.6979 6.4760 6.4760 6.5050 6.5050 14.0663 14.0663 14.0764 14.0764 16.5395 16.5395 k = 0.5000 0.1632-0.0000 ( 2666 PWs) bands (ev): -17.7651 -17.7651 -17.7636 -17.7636 -17.5951 -17.5951 -17.5943 -17.5943 -0.9222 -0.9222 -0.9187 -0.9187 -0.6823 -0.6823 -0.6788 -0.6788 -0.0799 -0.0799 -0.0731 -0.0731 0.2945 0.2945 0.3204 0.3204 1.2301 1.2301 1.2418 1.2418 1.6109 1.6109 1.6191 1.6191 4.8925 4.8925 4.9109 4.9109 5.0750 5.0750 5.1258 5.1258 5.2528 5.2528 5.3253 5.3253 5.6570 5.6570 5.6855 5.6855 6.5026 6.5026 6.5317 6.5317 14.0969 14.0969 14.1075 14.1075 16.4594 16.4594 k = 0.5000 0.1728-0.0000 ( 2674 PWs) bands (ev): -17.7619 -17.7619 -17.7603 -17.7603 -17.5983 -17.5983 -17.5975 -17.5975 -0.9299 -0.9299 -0.9263 -0.9263 -0.6849 -0.6849 -0.6811 -0.6811 -0.0860 -0.0860 -0.0791 -0.0791 0.2954 0.2954 0.3222 0.3222 1.2305 1.2305 1.2418 1.2418 1.6324 1.6324 1.6417 1.6417 4.8789 4.8789 4.8970 4.8970 5.0741 5.0741 5.1264 5.1264 5.2538 5.2538 5.3264 5.3264 5.6444 5.6444 5.6741 5.6741 6.5284 6.5284 6.5575 6.5575 14.1296 14.1296 14.1407 14.1407 16.3780 16.3780 k = 0.5000 0.1824-0.0000 ( 2674 PWs) bands (ev): -17.7585 -17.7585 -17.7569 -17.7569 -17.6016 -17.6016 -17.6009 -17.6009 -0.9381 -0.9381 -0.9344 -0.9344 -0.6865 -0.6865 -0.6824 -0.6824 -0.0921 -0.0921 -0.0853 -0.0853 0.2964 0.2964 0.3240 0.3240 1.2303 1.2303 1.2410 1.2410 1.6543 1.6543 1.6646 1.6646 4.8655 4.8655 4.8832 4.8832 5.0732 5.0732 5.1270 5.1270 5.2546 5.2546 5.3274 5.3274 5.6327 5.6327 5.6637 5.6637 6.5533 6.5533 6.5824 6.5824 14.1643 14.1643 14.1758 14.1758 16.2955 16.2955 k = 0.5000 0.1920-0.0000 ( 2676 PWs) bands (ev): -17.7551 -17.7551 -17.7533 -17.7533 -17.6051 -17.6051 -17.6043 -17.6043 -0.9467 -0.9467 -0.9429 -0.9429 -0.6872 -0.6872 -0.6829 -0.6829 -0.0984 -0.0984 -0.0915 -0.0915 0.2976 0.2976 0.3259 0.3259 1.2294 1.2294 1.2397 1.2397 1.6764 1.6764 1.6876 1.6876 4.8523 4.8523 4.8697 4.8697 5.0723 5.0723 5.1275 5.1275 5.2553 5.2553 5.3280 5.3280 5.6219 5.6219 5.6542 5.6542 6.5772 6.5772 6.6063 6.6063 14.2010 14.2010 14.2130 14.2130 16.2123 16.2123 k = 0.5000 0.2016-0.0000 ( 2680 PWs) bands (ev): -17.7515 -17.7515 -17.7497 -17.7497 -17.6086 -17.6086 -17.6078 -17.6078 -0.9555 -0.9555 -0.9517 -0.9517 -0.6872 -0.6872 -0.6827 -0.6827 -0.1047 -0.1047 -0.0977 -0.0977 0.2988 0.2988 0.3278 0.3278 1.2280 1.2280 1.2379 1.2379 1.6985 1.6985 1.7105 1.7105 4.8395 4.8395 4.8564 4.8564 5.0714 5.0714 5.1279 5.1279 5.2559 5.2559 5.3283 5.3283 5.6120 5.6120 5.6455 5.6455 6.6000 6.6000 6.6291 6.6291 14.2398 14.2398 14.2521 14.2521 16.1289 16.1289 k = 0.5000 0.2112-0.0000 ( 2680 PWs) bands (ev): -17.7479 -17.7479 -17.7459 -17.7459 -17.6122 -17.6122 -17.6114 -17.6114 -0.9643 -0.9643 -0.9605 -0.9605 -0.6865 -0.6865 -0.6818 -0.6818 -0.1109 -0.1109 -0.1038 -0.1038 0.3002 0.3002 0.3297 0.3297 1.2262 1.2262 1.2358 1.2358 1.7202 1.7202 1.7329 1.7329 4.8270 4.8270 4.8436 4.8436 5.0706 5.0706 5.1284 5.1284 5.2562 5.2562 5.3283 5.3283 5.6028 5.6028 5.6378 5.6378 6.6217 6.6217 6.6507 6.6507 14.2805 14.2805 14.2933 14.2933 16.0454 16.0454 k = 0.5000 0.2208-0.0000 ( 2680 PWs) bands (ev): -17.7442 -17.7442 -17.7422 -17.7422 -17.6159 -17.6159 -17.6151 -17.6151 -0.9731 -0.9731 -0.9693 -0.9693 -0.6852 -0.6852 -0.6805 -0.6805 -0.1171 -0.1171 -0.1099 -0.1099 0.3016 0.3016 0.3317 0.3317 1.2242 1.2242 1.2334 1.2334 1.7412 1.7412 1.7546 1.7546 4.8151 4.8151 4.8313 4.8313 5.0697 5.0697 5.1288 5.1288 5.2564 5.2564 5.3282 5.3282 5.5945 5.5945 5.6308 5.6308 6.6422 6.6422 6.6711 6.6711 14.3233 14.3233 14.3365 14.3365 15.9622 15.9622 k = 0.5000 0.2305-0.0000 ( 2690 PWs) bands (ev): -17.7405 -17.7405 -17.7384 -17.7384 -17.6196 -17.6196 -17.6188 -17.6188 -0.9817 -0.9817 -0.9779 -0.9779 -0.6836 -0.6836 -0.6787 -0.6787 -0.1231 -0.1231 -0.1158 -0.1158 0.3030 0.3030 0.3335 0.3335 1.2220 1.2220 1.2309 1.2309 1.7615 1.7615 1.7755 1.7755 4.8036 4.8036 4.8196 4.8196 5.0689 5.0689 5.1291 5.1291 5.2565 5.2565 5.3279 5.3279 5.5870 5.5870 5.6247 5.6247 6.6613 6.6613 6.6901 6.6901 14.3681 14.3681 14.3815 14.3815 15.8795 15.8795 k = 0.5000 0.2401-0.0000 ( 2690 PWs) bands (ev): -17.7368 -17.7368 -17.7345 -17.7345 -17.6233 -17.6233 -17.6226 -17.6226 -0.9898 -0.9898 -0.9861 -0.9861 -0.6817 -0.6817 -0.6768 -0.6768 -0.1289 -0.1289 -0.1215 -0.1215 0.3045 0.3045 0.3353 0.3353 1.2197 1.2197 1.2284 1.2284 1.7807 1.7807 1.7952 1.7952 4.7929 4.7929 4.8085 4.8085 5.0681 5.0681 5.1295 5.1295 5.2564 5.2564 5.3274 5.3274 5.5802 5.5802 5.6192 5.6192 6.6790 6.6790 6.7078 6.7078 14.4148 14.4148 14.4285 14.4285 15.7976 15.7976 k = 0.5000 0.2497-0.0000 ( 2694 PWs) bands (ev): -17.7331 -17.7331 -17.7307 -17.7307 -17.6269 -17.6269 -17.6263 -17.6263 -0.9975 -0.9975 -0.9939 -0.9939 -0.6796 -0.6796 -0.6746 -0.6746 -0.1344 -0.1344 -0.1268 -0.1268 0.3059 0.3059 0.3371 0.3371 1.2173 1.2173 1.2258 1.2258 1.7987 1.7987 1.8137 1.8137 4.7829 4.7829 4.7983 4.7983 5.0673 5.0673 5.1298 5.1298 5.2563 5.2563 5.3268 5.3268 5.5742 5.5742 5.6145 5.6145 6.6952 6.6952 6.7239 6.7239 14.4634 14.4634 14.4774 14.4774 15.7166 15.7166 k = 0.5000 0.2593-0.0000 ( 2702 PWs) bands (ev): -17.7295 -17.7295 -17.7270 -17.7270 -17.6306 -17.6306 -17.6300 -17.6300 -1.0047 -1.0047 -1.0011 -1.0011 -0.6774 -0.6774 -0.6724 -0.6724 -0.1396 -0.1396 -0.1319 -0.1319 0.3072 0.3072 0.3387 0.3387 1.2150 1.2150 1.2233 1.2233 1.8153 1.8153 1.8306 1.8306 4.7737 4.7737 4.7888 4.7888 5.0666 5.0666 5.1300 5.1300 5.2560 5.2560 5.3262 5.3262 5.5689 5.5689 5.6103 5.6103 6.7100 6.7100 6.7386 6.7386 14.5139 14.5139 14.5280 14.5280 15.6369 15.6369 k = 0.5000 0.2689-0.0000 ( 2698 PWs) bands (ev): -17.7259 -17.7259 -17.7233 -17.7233 -17.6341 -17.6341 -17.6335 -17.6335 -1.0112 -1.0112 -1.0076 -1.0076 -0.6752 -0.6752 -0.6702 -0.6702 -0.1443 -0.1443 -0.1364 -0.1364 0.3085 0.3085 0.3403 0.3403 1.2129 1.2129 1.2210 1.2210 1.8303 1.8303 1.8460 1.8460 4.7655 4.7655 4.7803 4.7803 5.0660 5.0660 5.1302 5.1302 5.2558 5.2558 5.3256 5.3256 5.5644 5.5644 5.6068 5.6068 6.7231 6.7231 6.7517 6.7517 14.5659 14.5659 14.5802 14.5802 15.5586 15.5586 k = 0.5000 0.2785-0.0000 ( 2686 PWs) bands (ev): -17.7226 -17.7226 -17.7199 -17.7199 -17.6374 -17.6374 -17.6369 -17.6369 -1.0169 -1.0169 -1.0134 -1.0134 -0.6731 -0.6731 -0.6681 -0.6681 -0.1485 -0.1485 -0.1406 -0.1406 0.3097 0.3097 0.3416 0.3416 1.2109 1.2109 1.2189 1.2189 1.8437 1.8437 1.8597 1.8597 4.7582 4.7582 4.7728 4.7728 5.0655 5.0655 5.1305 5.1305 5.2555 5.2555 5.3250 5.3250 5.5605 5.5605 5.6039 5.6039 6.7347 6.7347 6.7632 6.7632 14.6194 14.6194 14.6337 14.6337 15.4822 15.4822 k = 0.5000 0.2881-0.0000 ( 2690 PWs) bands (ev): -17.7194 -17.7194 -17.7166 -17.7166 -17.6405 -17.6405 -17.6401 -17.6401 -1.0219 -1.0219 -1.0184 -1.0184 -0.6712 -0.6712 -0.6662 -0.6662 -0.1522 -0.1522 -0.1442 -0.1442 0.3107 0.3107 0.3428 0.3428 1.2092 1.2092 1.2171 1.2171 1.8552 1.8552 1.8714 1.8714 4.7518 4.7518 4.7663 4.7663 5.0650 5.0650 5.1306 5.1306 5.2552 5.2552 5.3244 5.3244 5.5572 5.5572 5.6015 5.6015 6.7445 6.7445 6.7729 6.7729 14.6740 14.6740 14.6882 14.6882 15.4082 15.4082 k = 0.5000 0.2977-0.0000 ( 2688 PWs) bands (ev): -17.7167 -17.7167 -17.7137 -17.7137 -17.6433 -17.6433 -17.6430 -17.6430 -1.0260 -1.0260 -1.0226 -1.0226 -0.6696 -0.6696 -0.6646 -0.6646 -0.1553 -0.1553 -0.1472 -0.1472 0.3116 0.3116 0.3438 0.3438 1.2077 1.2077 1.2155 1.2155 1.8647 1.8647 1.8812 1.8812 4.7466 4.7466 4.7610 4.7610 5.0646 5.0646 5.1307 5.1307 5.2550 5.2550 5.3239 5.3239 5.5546 5.5546 5.5995 5.5995 6.7525 6.7525 6.7810 6.7810 14.7289 14.7289 14.7429 14.7429 15.3372 15.3372 k = 0.5000 0.3073-0.0000 ( 2684 PWs) bands (ev): -17.7143 -17.7143 -17.7112 -17.7112 -17.6456 -17.6456 -17.6454 -17.6454 -1.0293 -1.0293 -1.0259 -1.0259 -0.6682 -0.6682 -0.6633 -0.6633 -0.1578 -0.1578 -0.1496 -0.1496 0.3123 0.3123 0.3446 0.3446 1.2065 1.2065 1.2142 1.2142 1.8722 1.8722 1.8888 1.8888 4.7425 4.7425 4.7567 4.7567 5.0642 5.0642 5.1309 5.1309 5.2548 5.2548 5.3235 5.3235 5.5525 5.5525 5.5980 5.5980 6.7589 6.7589 6.7873 6.7873 14.7829 14.7829 14.7965 14.7965 15.2706 15.2706 k = 0.5000 0.3169-0.0000 ( 2692 PWs) bands (ev): -17.7125 -17.7125 -17.7093 -17.7093 -17.6474 -17.6474 -17.6473 -17.6473 -1.0316 -1.0316 -1.0283 -1.0283 -0.6672 -0.6672 -0.6623 -0.6623 -0.1596 -0.1596 -0.1513 -0.1513 0.3128 0.3128 0.3452 0.3452 1.2056 1.2056 1.2133 1.2133 1.8777 1.8777 1.8944 1.8944 4.7395 4.7395 4.7537 4.7537 5.0640 5.0640 5.1309 5.1309 5.2546 5.2546 5.3232 5.3232 5.5511 5.5511 5.5970 5.5970 6.7634 6.7634 6.7917 6.7917 14.8331 14.8331 14.8460 14.8460 15.2114 15.2114 k = 0.5000 0.3265-0.0000 ( 2684 PWs) bands (ev): -17.7114 -17.7114 -17.7081 -17.7081 -17.6485 -17.6485 -17.6485 -17.6485 -1.0330 -1.0330 -1.0297 -1.0297 -0.6666 -0.6666 -0.6617 -0.6617 -0.1607 -0.1607 -0.1523 -0.1523 0.3131 0.3131 0.3456 0.3456 1.2051 1.2051 1.2128 1.2128 1.8810 1.8810 1.8977 1.8977 4.7377 4.7377 4.7519 4.7519 5.0639 5.0639 5.1309 5.1309 5.2545 5.2545 5.3230 5.3230 5.5502 5.5502 5.5964 5.5964 6.7661 6.7661 6.7945 6.7945 14.8728 14.8728 14.8847 14.8847 15.1663 15.1663 k = 0.5000 0.3361-0.0000 ( 2676 PWs) bands (ev): -17.7110 -17.7110 -17.7077 -17.7077 -17.6489 -17.6489 -17.6489 -17.6489 -1.0335 -1.0335 -1.0302 -1.0302 -0.6664 -0.6664 -0.6615 -0.6615 -0.1610 -0.1610 -0.1527 -0.1527 0.3132 0.3132 0.3457 0.3457 1.2050 1.2050 1.2126 1.2126 1.8821 1.8821 1.8988 1.8988 4.7371 4.7371 4.7513 4.7513 5.0638 5.0638 5.1310 5.1310 5.2545 5.2545 5.3230 5.3230 5.5500 5.5500 5.5962 5.5962 6.7671 6.7671 6.7954 6.7954 14.8891 14.8891 14.9004 14.9004 15.1482 15.1482 k = 0.5000 0.3361-0.0000 ( 2676 PWs) bands (ev): -17.7110 -17.7110 -17.7077 -17.7077 -17.6489 -17.6489 -17.6489 -17.6489 -1.0335 -1.0335 -1.0302 -1.0302 -0.6664 -0.6664 -0.6615 -0.6615 -0.1610 -0.1610 -0.1527 -0.1527 0.3132 0.3132 0.3457 0.3457 1.2050 1.2050 1.2126 1.2126 1.8821 1.8821 1.8988 1.8988 4.7371 4.7371 4.7513 4.7513 5.0638 5.0638 5.1310 5.1310 5.2545 5.2545 5.3230 5.3230 5.5500 5.5500 5.5962 5.5962 6.7671 6.7671 6.7954 6.7954 14.8891 14.8891 14.9004 14.9004 15.1482 15.1482 k = 0.4904 0.3361-0.0000 ( 2676 PWs) bands (ev): -17.7118 -17.7118 -17.7085 -17.7085 -17.6483 -17.6483 -17.6483 -17.6483 -1.0326 -1.0326 -1.0292 -1.0292 -0.6671 -0.6671 -0.6622 -0.6622 -0.1601 -0.1601 -0.1518 -0.1518 0.3125 0.3125 0.3449 0.3449 1.2056 1.2056 1.2132 1.2132 1.8819 1.8819 1.8987 1.8987 4.7374 4.7374 4.7516 4.7516 5.0639 5.0639 5.1310 5.1310 5.2546 5.2546 5.3230 5.3230 5.5501 5.5501 5.5962 5.5962 6.7667 6.7667 6.7950 6.7950 14.8576 14.8576 14.8654 14.8654 15.1835 15.1835 k = 0.4808 0.3361-0.0000 ( 2678 PWs) bands (ev): -17.7140 -17.7140 -17.7109 -17.7109 -17.6467 -17.6467 -17.6466 -17.6466 -1.0297 -1.0297 -1.0263 -1.0263 -0.6691 -0.6691 -0.6643 -0.6643 -0.1575 -0.1575 -0.1493 -0.1493 0.3102 0.3102 0.3425 0.3425 1.2073 1.2073 1.2150 1.2150 1.8816 1.8816 1.8983 1.8983 4.7383 4.7383 4.7525 4.7525 5.0643 5.0643 5.1310 5.1310 5.2547 5.2547 5.3231 5.3231 5.5505 5.5505 5.5963 5.5963 6.7657 6.7657 6.7939 6.7939 14.7867 14.7867 14.7902 14.7902 15.2596 15.2596 k = 0.4712 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.7174 -17.7174 -17.7145 -17.7145 -17.6443 -17.6443 -17.6440 -17.6440 -1.0250 -1.0250 -1.0215 -1.0215 -0.6724 -0.6724 -0.6678 -0.6678 -0.1533 -0.1533 -0.1451 -0.1451 0.3065 0.3065 0.3386 0.3386 1.2101 1.2101 1.2180 1.2180 1.8810 1.8810 1.8977 1.8977 4.7398 4.7398 4.7539 4.7539 5.0647 5.0647 5.1309 5.1309 5.2548 5.2548 5.3233 5.3233 5.5511 5.5511 5.5964 5.5964 6.7639 6.7639 6.7921 6.7921 14.7012 14.7012 14.7022 14.7022 15.3491 15.3491 k = 0.4615 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.7219 -17.7219 -17.7191 -17.7191 -17.6413 -17.6413 -17.6408 -17.6408 -1.0185 -1.0185 -1.0149 -1.0149 -0.6768 -0.6768 -0.6724 -0.6724 -0.1475 -0.1475 -0.1394 -0.1394 0.3015 0.3015 0.3333 0.3333 1.2139 1.2139 1.2220 1.2220 1.8803 1.8803 1.8968 1.8968 4.7418 4.7418 4.7559 4.7559 5.0653 5.0653 5.1309 5.1309 5.2551 5.2551 5.3236 5.3236 5.5521 5.5521 5.5965 5.5965 6.7615 6.7615 6.7897 6.7897 14.6098 14.6098 14.6103 14.6103 15.4434 15.4434 k = 0.4519 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.7272 -17.7272 -17.7246 -17.7246 -17.6379 -17.6379 -17.6373 -17.6373 -1.0103 -1.0103 -1.0065 -1.0065 -0.6821 -0.6821 -0.6780 -0.6780 -0.1404 -0.1404 -0.1324 -0.1324 0.2953 0.2953 0.3268 0.3268 1.2186 1.2186 1.2268 1.2268 1.8795 1.8795 1.8958 1.8958 4.7444 4.7444 4.7585 4.7585 5.0661 5.0661 5.1309 5.1309 5.2554 5.2554 5.3240 5.3240 5.5534 5.5534 5.5968 5.5968 6.7585 6.7585 6.7865 6.7865 14.5157 14.5157 14.5171 14.5171 15.5398 15.5398 k = 0.4423 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.7331 -17.7331 -17.7306 -17.7306 -17.6342 -17.6342 -17.6335 -17.6335 -1.0005 -1.0005 -0.9966 -0.9966 -0.6882 -0.6882 -0.6844 -0.6844 -0.1322 -0.1322 -0.1242 -0.1242 0.2882 0.2882 0.3192 0.3192 1.2239 1.2239 1.2324 1.2324 1.8786 1.8786 1.8947 1.8947 4.7475 4.7475 4.7616 4.7616 5.0670 5.0670 5.1307 5.1307 5.2557 5.2557 5.3244 5.3244 5.5551 5.5551 5.5972 5.5972 6.7548 6.7548 6.7826 6.7826 14.4210 14.4210 14.4230 14.4230 15.6369 15.6369 k = 0.4327 0.3361-0.0000 ( 2692 PWs) bands (ev): -17.7395 -17.7395 -17.7372 -17.7372 -17.6305 -17.6305 -17.6296 -17.6296 -0.9893 -0.9893 -0.9851 -0.9851 -0.6947 -0.6947 -0.6913 -0.6913 -0.1229 -0.1229 -0.1151 -0.1151 0.2804 0.2804 0.3109 0.3109 1.2297 1.2297 1.2384 1.2384 1.8777 1.8777 1.8935 1.8935 4.7512 4.7512 4.7652 4.7652 5.0681 5.0681 5.1305 5.1305 5.2561 5.2561 5.3249 5.3249 5.5571 5.5571 5.5978 5.5978 6.7504 6.7504 6.7780 6.7780 14.3261 14.3261 14.3285 14.3285 15.7341 15.7341 k = 0.4231 0.3361-0.0000 ( 2696 PWs) bands (ev): -17.7463 -17.7463 -17.7441 -17.7441 -17.6267 -17.6267 -17.6257 -17.6257 -0.9770 -0.9770 -0.9725 -0.9725 -0.7013 -0.7013 -0.6984 -0.6984 -0.1130 -0.1130 -0.1053 -0.1053 0.2720 0.2720 0.3020 0.3020 1.2358 1.2358 1.2447 1.2447 1.8769 1.8769 1.8923 1.8923 4.7552 4.7552 4.7693 4.7693 5.0692 5.0692 5.1302 5.1302 5.2566 5.2566 5.3255 5.3255 5.5596 5.5596 5.5986 5.5986 6.7454 6.7454 6.7728 6.7728 14.2314 14.2314 14.2340 14.2340 15.8307 15.8307 k = 0.4135 0.3361-0.0000 ( 2696 PWs) bands (ev): -17.7534 -17.7534 -17.7514 -17.7514 -17.6230 -17.6230 -17.6219 -17.6219 -0.9640 -0.9640 -0.9591 -0.9591 -0.7075 -0.7075 -0.7051 -0.7051 -0.1026 -0.1026 -0.0950 -0.0950 0.2634 0.2634 0.2928 0.2928 1.2420 1.2420 1.2510 1.2510 1.8763 1.8763 1.8913 1.8913 4.7598 4.7598 4.7738 4.7738 5.0705 5.0705 5.1298 5.1298 5.2571 5.2571 5.3262 5.3262 5.5627 5.5627 5.5997 5.5997 6.7397 6.7397 6.7669 6.7669 14.1369 14.1369 14.1396 14.1396 15.9261 15.9261 k = 0.4038 0.3361-0.0000 ( 2704 PWs) bands (ev): -17.7609 -17.7609 -17.7589 -17.7589 -17.6193 -17.6193 -17.6181 -17.6181 -0.9507 -0.9507 -0.9453 -0.9453 -0.7127 -0.7127 -0.7110 -0.7110 -0.0919 -0.0919 -0.0845 -0.0845 0.2549 0.2549 0.2836 0.2836 1.2480 1.2480 1.2571 1.2571 1.8759 1.8759 1.8904 1.8904 4.7647 4.7647 4.7788 4.7788 5.0717 5.0717 5.1292 5.1292 5.2576 5.2576 5.3269 5.3269 5.5662 5.5662 5.6010 5.6010 6.7335 6.7335 6.7604 6.7604 14.0428 14.0428 14.0456 14.0456 16.0198 16.0198 k = 0.3942 0.3361-0.0000 ( 2700 PWs) bands (ev): -17.7685 -17.7685 -17.7666 -17.7666 -17.6157 -17.6157 -17.6145 -17.6145 -0.9379 -0.9379 -0.9319 -0.9319 -0.7163 -0.7163 -0.7153 -0.7153 -0.0811 -0.0811 -0.0739 -0.0739 0.2467 0.2467 0.2746 0.2746 1.2537 1.2537 1.2629 1.2629 1.8759 1.8759 1.8899 1.8899 4.7701 4.7701 4.7841 4.7841 5.0730 5.0730 5.1285 5.1285 5.2583 5.2583 5.3277 5.3277 5.5704 5.5704 5.6029 5.6029 6.7267 6.7267 6.7534 6.7534 13.9492 13.9492 13.9520 13.9520 16.1099 16.1099 k = 0.3846 0.3361-0.0000 ( 2696 PWs) bands (ev): -17.7763 -17.7763 -17.7746 -17.7746 -17.6123 -17.6123 -17.6110 -17.6110 -0.9265 -0.9265 -0.9200 -0.9200 -0.7172 -0.7172 -0.7169 -0.7169 -0.0706 -0.0706 -0.0637 -0.0637 0.2392 0.2392 0.2663 0.2663 1.2588 1.2588 1.2680 1.2680 1.8764 1.8764 1.8897 1.8897 4.7758 4.7758 4.7898 4.7898 5.0742 5.0742 5.1276 5.1276 5.2589 5.2589 5.3286 5.3286 5.5754 5.5754 5.6052 5.6052 6.7194 6.7194 6.7457 6.7457 13.8560 13.8560 13.8588 13.8588 16.1958 16.1958 k = 0.3750 0.3361-0.0000 ( 2692 PWs) bands (ev): -17.7843 -17.7843 -17.7827 -17.7827 -17.6090 -17.6090 -17.6077 -17.6077 -0.9176 -0.9176 -0.9105 -0.9105 -0.7148 -0.7148 -0.7145 -0.7145 -0.0604 -0.0604 -0.0539 -0.0539 0.2327 0.2327 0.2588 0.2588 1.2632 1.2632 1.2723 1.2723 1.8773 1.8773 1.8899 1.8899 4.7817 4.7817 4.7959 4.7959 5.0753 5.0753 5.1264 5.1264 5.2595 5.2595 5.3295 5.3295 5.5811 5.5811 5.6081 5.6081 6.7115 6.7115 6.7374 6.7374 13.7635 13.7635 13.7662 13.7662 16.2773 16.2773 k = 0.3654 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.7925 -17.7925 -17.7909 -17.7909 -17.6059 -17.6059 -17.6045 -17.6045 -0.9121 -0.9121 -0.9046 -0.9046 -0.7078 -0.7078 -0.7071 -0.7071 -0.0509 -0.0509 -0.0448 -0.0448 0.2274 0.2274 0.2524 0.2524 1.2667 1.2667 1.2756 1.2756 1.8789 1.8789 1.8907 1.8907 4.7879 4.7879 4.8021 4.8021 5.0764 5.0764 5.1251 5.1251 5.2600 5.2600 5.3303 5.3303 5.5876 5.5876 5.6117 5.6117 6.7032 6.7032 6.7287 6.7287 13.6715 13.6715 13.6741 13.6741 16.3533 16.3533 k = 0.3558 0.3361-0.0000 ( 2682 PWs) bands (ev): -17.8007 -17.8007 -17.7992 -17.7992 -17.6029 -17.6029 -17.6015 -17.6015 -0.9106 -0.9106 -0.9029 -0.9029 -0.6956 -0.6956 -0.6946 -0.6946 -0.0421 -0.0421 -0.0366 -0.0366 0.2236 0.2236 0.2474 0.2474 1.2691 1.2691 1.2777 1.2777 1.8811 1.8811 1.8921 1.8921 4.7943 4.7943 4.8086 4.8086 5.0773 5.0773 5.1234 5.1234 5.2606 5.2606 5.3312 5.3312 5.5950 5.5950 5.6160 5.6160 6.6943 6.6943 6.7194 6.7194 13.5802 13.5802 13.5827 13.5827 16.4227 16.4227 k = 0.3462 0.3361-0.0000 ( 2682 PWs) bands (ev): -17.8091 -17.8091 -17.8076 -17.8076 -17.6001 -17.6001 -17.5986 -17.5986 -0.9129 -0.9129 -0.9053 -0.9053 -0.6781 -0.6781 -0.6772 -0.6772 -0.0342 -0.0342 -0.0294 -0.0294 0.2215 0.2215 0.2439 0.2439 1.2704 1.2704 1.2787 1.2787 1.8841 1.8841 1.8941 1.8941 4.8007 4.8007 4.8152 4.8152 5.0781 5.0781 5.1215 5.1215 5.2612 5.2612 5.3319 5.3319 5.6033 5.6033 5.6211 5.6211 6.6850 6.6850 6.7095 6.7095 13.4896 13.4896 13.4919 13.4919 16.4841 16.4841 k = 0.3365 0.3361-0.0000 ( 2674 PWs) bands (ev): -17.8175 -17.8175 -17.8161 -17.8161 -17.5974 -17.5974 -17.5959 -17.5959 -0.9185 -0.9185 -0.9111 -0.9111 -0.6561 -0.6561 -0.6554 -0.6554 -0.0272 -0.0272 -0.0232 -0.0232 0.2212 0.2212 0.2420 0.2420 1.2705 1.2705 1.2783 1.2783 1.8877 1.8877 1.8967 1.8967 4.8073 4.8073 4.8220 4.8220 5.0787 5.0787 5.1193 5.1193 5.2616 5.2616 5.3326 5.3326 5.6126 5.6126 5.6272 5.6272 6.6753 6.6753 6.6993 6.6993 13.3997 13.3997 13.4019 13.4019 16.5363 16.5363 k = 0.3269 0.3361-0.0000 ( 2674 PWs) bands (ev): -17.8259 -17.8259 -17.8246 -17.8246 -17.5949 -17.5949 -17.5934 -17.5934 -0.9268 -0.9268 -0.9197 -0.9197 -0.6305 -0.6305 -0.6301 -0.6301 -0.0211 -0.0211 -0.0180 -0.0180 0.2227 0.2227 0.2419 0.2419 1.2692 1.2692 1.2766 1.2766 1.8920 1.8920 1.9000 1.9000 4.8139 4.8139 4.8288 4.8288 5.0790 5.0790 5.1167 5.1167 5.2621 5.2621 5.3333 5.3333 5.6229 5.6229 5.6342 5.6342 6.6651 6.6651 6.6886 6.6886 13.3106 13.3106 13.3126 13.3126 16.5783 16.5783 k = 0.3173 0.3361-0.0000 ( 2674 PWs) bands (ev): -17.8344 -17.8344 -17.8332 -17.8332 -17.5926 -17.5926 -17.5911 -17.5911 -0.9372 -0.9372 -0.9304 -0.9304 -0.6019 -0.6019 -0.6019 -0.6019 -0.0157 -0.0157 -0.0136 -0.0136 0.2259 0.2259 0.2434 0.2434 1.2666 1.2666 1.2735 1.2735 1.8970 1.8970 1.9039 1.9039 4.8204 4.8204 4.8356 4.8356 5.0791 5.0791 5.1138 5.1138 5.2625 5.2625 5.3338 5.3338 5.6342 5.6342 5.6423 5.6423 6.6546 6.6546 6.6775 6.6775 13.2223 13.2223 13.2241 13.2241 16.6093 16.6093 k = 0.3077 0.3361-0.0000 ( 2680 PWs) bands (ev): -17.8429 -17.8429 -17.8417 -17.8417 -17.5904 -17.5904 -17.5889 -17.5889 -0.9491 -0.9491 -0.9426 -0.9426 -0.5715 -0.5715 -0.5712 -0.5712 -0.0109 -0.0109 -0.0097 -0.0097 0.2307 0.2307 0.2464 0.2464 1.2627 1.2627 1.2691 1.2691 1.9026 1.9026 1.9084 1.9084 4.8269 4.8269 4.8424 4.8424 5.0788 5.0788 5.1106 5.1106 5.2628 5.2628 5.3341 5.3341 5.6466 5.6466 5.6515 5.6515 6.6438 6.6438 6.6660 6.6660 13.1349 13.1349 13.1366 13.1366 16.6287 16.6287 k = 0.2981 0.3361-0.0000 ( 2684 PWs) bands (ev): -17.8514 -17.8514 -17.8503 -17.8503 -17.5883 -17.5883 -17.5868 -17.5868 -0.9621 -0.9621 -0.9559 -0.9559 -0.5395 -0.5395 -0.5388 -0.5388 -0.0063 -0.0063 -0.0060 -0.0060 0.2368 0.2368 0.2508 0.2508 1.2575 1.2575 1.2633 1.2633 1.9087 1.9087 1.9135 1.9135 4.8332 4.8332 4.8491 4.8491 5.0783 5.0783 5.1070 5.1070 5.2632 5.2632 5.3342 5.3342 5.6601 5.6601 5.6618 5.6618 6.6326 6.6326 6.6541 6.6541 13.0485 13.0485 13.0500 13.0500 16.6368 16.6368 k = 0.2885 0.3361-0.0000 ( 2682 PWs) bands (ev): -17.8598 -17.8598 -17.8588 -17.8588 -17.5865 -17.5865 -17.5849 -17.5849 -0.9760 -0.9760 -0.9701 -0.9701 -0.5062 -0.5062 -0.5051 -0.5051 -0.0022 -0.0022 -0.0017 -0.0017 0.2441 0.2441 0.2564 0.2564 1.2511 1.2511 1.2564 1.2564 1.9152 1.9152 1.9190 1.9190 4.8394 4.8394 4.8557 4.8557 5.0775 5.0775 5.1031 5.1031 5.2635 5.2635 5.3343 5.3343 5.6734 5.6734 5.6746 5.6746 6.6213 6.6213 6.6420 6.6420 12.9631 12.9631 12.9644 12.9644 16.6339 16.6339 k = 0.2788 0.3361-0.0000 ( 2678 PWs) bands (ev): -17.8682 -17.8682 -17.8672 -17.8672 -17.5847 -17.5847 -17.5832 -17.5832 -0.9906 -0.9906 -0.9849 -0.9849 -0.4722 -0.4722 -0.4707 -0.4707 0.0021 0.0021 0.0034 0.0034 0.2523 0.2523 0.2630 0.2630 1.2435 1.2435 1.2482 1.2482 1.9222 1.9222 1.9249 1.9249 4.8454 4.8454 4.8622 4.8622 5.0764 5.0764 5.0990 5.0990 5.2638 5.2638 5.3341 5.3341 5.6861 5.6861 5.6902 5.6902 6.6097 6.6097 6.6297 6.6297 12.8787 12.8787 12.8799 12.8799 16.6210 16.6210 k = 0.2692 0.3361-0.0000 ( 2678 PWs) bands (ev): -17.8765 -17.8765 -17.8756 -17.8756 -17.5831 -17.5831 -17.5816 -17.5816 -1.0056 -1.0056 -1.0001 -1.0001 -0.4377 -0.4377 -0.4358 -0.4358 0.0071 0.0071 0.0091 0.0091 0.2612 0.2612 0.2702 0.2702 1.2348 1.2348 1.2391 1.2391 1.9294 1.9294 1.9312 1.9312 4.8511 4.8511 4.8684 4.8684 5.0750 5.0750 5.0945 5.0945 5.2641 5.2641 5.3338 5.3338 5.7001 5.7001 5.7068 5.7068 6.5980 6.5980 6.6171 6.6171 12.7956 12.7956 12.7966 12.7966 16.5991 16.5991 k = 0.2596 0.3361-0.0000 ( 2674 PWs) bands (ev): -17.8848 -17.8848 -17.8839 -17.8839 -17.5816 -17.5816 -17.5801 -17.5801 -1.0210 -1.0210 -1.0158 -1.0158 -0.4033 -0.4033 -0.4010 -0.4010 0.0134 0.0134 0.0158 0.0158 0.2705 0.2705 0.2781 0.2781 1.2252 1.2252 1.2289 1.2289 1.9367 1.9367 1.9376 1.9376 4.8565 4.8565 4.8744 4.8744 5.0734 5.0734 5.0897 5.0897 5.2645 5.2645 5.3333 5.3333 5.7151 5.7151 5.7244 5.7244 6.5861 6.5861 6.6043 6.6043 12.7137 12.7137 12.7146 12.7146 16.5694 16.5694 k = 0.2500 0.3361-0.0000 ( 2674 PWs) bands (ev): -17.8929 -17.8929 -17.8920 -17.8920 -17.5803 -17.5803 -17.5788 -17.5788 -1.0367 -1.0367 -1.0316 -1.0316 -0.3692 -0.3692 -0.3665 -0.3665 0.0210 0.0210 0.0240 0.0240 0.2803 0.2803 0.2863 0.2863 1.2147 1.2147 1.2180 1.2180 1.9441 1.9441 1.9441 1.9441 4.8615 4.8615 4.8801 4.8801 5.0715 5.0715 5.0847 5.0847 5.2649 5.2649 5.3327 5.3327 5.7314 5.7314 5.7429 5.7429 6.5742 6.5742 6.5914 6.5914 12.6332 12.6332 12.6339 12.6339 16.5332 16.5332 k = 0.2404 0.3361-0.0000 ( 2682 PWs) bands (ev): -17.9009 -17.9009 -17.9001 -17.9001 -17.5790 -17.5790 -17.5776 -17.5776 -1.0525 -1.0525 -1.0477 -1.0477 -0.3358 -0.3358 -0.3327 -0.3327 0.0302 0.0302 0.0337 0.0337 0.2904 0.2904 0.2949 0.2949 1.2034 1.2034 1.2064 1.2064 1.9507 1.9507 1.9515 1.9515 4.8660 4.8660 4.8854 4.8854 5.0693 5.0693 5.0794 5.0794 5.2654 5.2654 5.3319 5.3319 5.7486 5.7486 5.7623 5.7623 6.5621 6.5621 6.5783 6.5783 12.5542 12.5542 12.5547 12.5547 16.4916 16.4916 k = 0.2308 0.3361-0.0000 ( 2682 PWs) bands (ev): -17.9087 -17.9087 -17.9080 -17.9080 -17.5779 -17.5779 -17.5765 -17.5765 -1.0684 -1.0684 -1.0637 -1.0637 -0.3036 -0.3036 -0.3000 -0.3000 0.0414 0.0414 0.0453 0.0453 0.3007 0.3007 0.3037 0.3037 1.1915 1.1915 1.1941 1.1941 1.9571 1.9571 1.9587 1.9587 4.8702 4.8702 4.8903 4.8903 5.0669 5.0669 5.0740 5.0740 5.2660 5.2660 5.3311 5.3311 5.7669 5.7669 5.7825 5.7825 6.5500 6.5500 6.5652 6.5652 12.4767 12.4767 12.4771 12.4771 16.4458 16.4458 k = 0.2212 0.3361-0.0000 ( 2680 PWs) bands (ev): -17.9164 -17.9164 -17.9157 -17.9157 -17.5769 -17.5769 -17.5755 -17.5755 -1.0842 -1.0842 -1.0797 -1.0797 -0.2728 -0.2728 -0.2689 -0.2689 0.0545 0.0545 0.0590 0.0590 0.3113 0.3113 0.3127 0.3127 1.1791 1.1791 1.1815 1.1815 1.9634 1.9634 1.9657 1.9657 4.8739 4.8739 4.8948 4.8948 5.0643 5.0643 5.0684 5.0684 5.2667 5.2667 5.3302 5.3302 5.7862 5.7862 5.8035 5.8035 6.5380 6.5380 6.5520 6.5520 12.4009 12.4009 12.4012 12.4012 16.3968 16.3968 k = 0.2115 0.3361-0.0000 ( 2684 PWs) bands (ev): -17.9239 -17.9239 -17.9233 -17.9233 -17.5760 -17.5760 -17.5746 -17.5746 -1.1000 -1.1000 -1.0957 -1.0957 -0.2438 -0.2438 -0.2395 -0.2395 0.0694 0.0694 0.0746 0.0746 0.3219 0.3219 0.3222 0.3222 1.1664 1.1664 1.1685 1.1685 1.9695 1.9695 1.9724 1.9724 4.8770 4.8770 4.8987 4.8987 5.0616 5.0616 5.0627 5.0627 5.2676 5.2676 5.3291 5.3291 5.8062 5.8062 5.8251 5.8251 6.5260 6.5260 6.5388 6.5388 12.3268 12.3268 12.3270 12.3270 16.3454 16.3454 k = 0.2019 0.3361-0.0000 ( 2676 PWs) bands (ev): -17.9312 -17.9312 -17.9306 -17.9306 -17.5751 -17.5751 -17.5738 -17.5738 -1.1155 -1.1155 -1.1114 -1.1114 -0.2166 -0.2166 -0.2120 -0.2120 0.0861 0.0861 0.0921 0.0921 0.3314 0.3314 0.3334 0.3334 1.1534 1.1534 1.1554 1.1554 1.9753 1.9753 1.9787 1.9787 4.8797 4.8797 4.9022 4.9022 5.0569 5.0569 5.0587 5.0587 5.2686 5.2686 5.3281 5.3281 5.8271 5.8271 5.8473 5.8473 6.5141 6.5141 6.5256 6.5256 12.2547 12.2547 12.2548 12.2548 16.2925 16.2925 k = 0.1923 0.3361-0.0000 ( 2672 PWs) bands (ev): -17.9383 -17.9383 -17.9377 -17.9377 -17.5744 -17.5744 -17.5731 -17.5731 -1.1308 -1.1308 -1.1269 -1.1269 -0.1913 -0.1913 -0.1866 -0.1866 0.1041 0.1041 0.1111 0.1111 0.3413 0.3413 0.3453 0.3453 1.1404 1.1404 1.1422 1.1422 1.9807 1.9807 1.9846 1.9846 4.8818 4.8818 4.9050 4.9050 5.0513 5.0513 5.0558 5.0558 5.2698 5.2698 5.3271 5.3271 5.8486 5.8486 5.8700 5.8700 6.5023 6.5023 6.5125 6.5125 12.1846 12.1846 12.1846 12.1846 16.2386 16.2386 k = 0.1827 0.3361-0.0000 ( 2672 PWs) bands (ev): -17.9452 -17.9452 -17.9446 -17.9446 -17.5737 -17.5737 -17.5725 -17.5725 -1.1459 -1.1459 -1.1421 -1.1421 -0.1679 -0.1679 -0.1631 -0.1631 0.1229 0.1229 0.1311 0.1311 0.3518 0.3518 0.3578 0.3578 1.1274 1.1274 1.1292 1.1292 1.9857 1.9857 1.9899 1.9899 4.8833 4.8833 4.9072 4.9072 5.0457 5.0457 5.0528 5.0528 5.2711 5.2711 5.3261 5.3261 5.8706 5.8706 5.8931 5.8931 6.4906 6.4906 6.4994 6.4994 12.1165 12.1165 12.1166 12.1166 16.1845 16.1845 k = 0.1731 0.3361-0.0000 ( 2672 PWs) bands (ev): -17.9518 -17.9518 -17.9513 -17.9513 -17.5731 -17.5731 -17.5720 -17.5720 -1.1605 -1.1605 -1.1569 -1.1569 -0.1462 -0.1462 -0.1413 -0.1413 0.1419 0.1419 0.1514 0.1514 0.3632 0.3632 0.3712 0.3712 1.1146 1.1146 1.1164 1.1164 1.9902 1.9902 1.9948 1.9948 4.8842 4.8842 4.9087 4.9087 5.0403 5.0403 5.0497 5.0497 5.2726 5.2726 5.3251 5.3251 5.8930 5.8930 5.9164 5.9164 6.4791 6.4791 6.4865 6.4865 12.0508 12.0508 12.0510 12.0510 16.1306 16.1306 k = 0.1635 0.3361-0.0000 ( 2676 PWs) bands (ev): -17.9581 -17.9581 -17.9576 -17.9576 -17.5726 -17.5726 -17.5715 -17.5715 -1.1747 -1.1747 -1.1713 -1.1713 -0.1259 -0.1259 -0.1211 -0.1211 0.1603 0.1603 0.1711 0.1711 0.3756 0.3756 0.3857 0.3857 1.1022 1.1022 1.1040 1.1040 1.9942 1.9942 1.9990 1.9990 4.8846 4.8846 4.9094 4.9094 5.0352 5.0352 5.0467 5.0467 5.2742 5.2742 5.3242 5.3242 5.9157 5.9157 5.9399 5.9399 6.4678 6.4678 6.4736 6.4736 11.9875 11.9875 11.9878 11.9878 16.0774 16.0774 k = 0.1538 0.3361-0.0000 ( 2682 PWs) bands (ev): -17.9642 -17.9642 -17.9637 -17.9637 -17.5722 -17.5722 -17.5711 -17.5711 -1.1884 -1.1884 -1.1852 -1.1852 -0.1067 -0.1067 -0.1022 -0.1022 0.1774 0.1774 0.1896 0.1896 0.3893 0.3893 0.4013 0.4013 1.0903 1.0903 1.0923 1.0923 1.9977 1.9977 2.0027 2.0027 4.8844 4.8844 4.9094 4.9094 5.0304 5.0304 5.0437 5.0437 5.2760 5.2760 5.3232 5.3232 5.9386 5.9386 5.9634 5.9634 6.4566 6.4566 6.4609 6.4609 11.9268 11.9268 11.9271 11.9271 16.0253 16.0253 k = 0.1442 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.9700 -17.9700 -17.9695 -17.9695 -17.5718 -17.5718 -17.5708 -17.5708 -1.2016 -1.2016 -1.1985 -1.1985 -0.0886 -0.0886 -0.0842 -0.0842 0.1927 0.1927 0.2060 0.2060 0.4044 0.4044 0.4180 0.4180 1.0792 1.0792 1.0812 1.0812 2.0007 2.0007 2.0058 2.0058 4.8838 4.8838 4.9087 4.9087 5.0261 5.0261 5.0407 5.0407 5.2779 5.2779 5.3223 5.3223 5.9615 5.9615 5.9869 5.9869 6.4457 6.4457 6.4484 6.4484 11.8688 11.8688 11.8691 11.8691 15.9748 15.9748 k = 0.1346 0.3361-0.0000 ( 2688 PWs) bands (ev): -17.9754 -17.9754 -17.9750 -17.9750 -17.5714 -17.5714 -17.5705 -17.5705 -1.2141 -1.2141 -1.2113 -1.2113 -0.0712 -0.0712 -0.0671 -0.0671 0.2060 0.2060 0.2199 0.2199 0.4209 0.4209 0.4357 0.4357 1.0689 1.0689 1.0711 1.0711 2.0031 2.0031 2.0083 2.0083 4.8827 4.8827 4.9072 4.9072 5.0222 5.0222 5.0379 5.0379 5.2799 5.2799 5.3215 5.3215 5.9844 5.9844 6.0102 6.0102 6.4350 6.4350 6.4360 6.4360 11.8136 11.8136 11.8140 11.8140 15.9261 15.9261 k = 0.1250 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.9806 -17.9806 -17.9802 -17.9802 -17.5711 -17.5711 -17.5702 -17.5702 -1.2260 -1.2260 -1.2234 -1.2234 -0.0544 -0.0544 -0.0506 -0.0506 0.2169 0.2169 0.2311 0.2311 0.4384 0.4384 0.4539 0.4539 1.0596 1.0596 1.0620 1.0620 2.0051 2.0051 2.0102 2.0102 4.8813 4.8813 4.9051 4.9051 5.0190 5.0190 5.0351 5.0351 5.2820 5.2820 5.3207 5.3207 6.0071 6.0071 6.0332 6.0332 6.4239 6.4239 6.4245 6.4245 11.7615 11.7615 11.7619 11.7619 15.8795 15.8795 k = 0.1154 0.3361-0.0000 ( 2682 PWs) bands (ev): -17.9854 -17.9854 -17.9851 -17.9851 -17.5709 -17.5709 -17.5700 -17.5700 -1.2372 -1.2372 -1.2348 -1.2348 -0.0381 -0.0381 -0.0347 -0.0347 0.2255 0.2255 0.2397 0.2397 0.4564 0.4564 0.4723 0.4723 1.0516 1.0516 1.0541 1.0541 2.0065 2.0065 2.0116 2.0116 4.8796 4.8796 4.9024 4.9024 5.0162 5.0162 5.0326 5.0326 5.2841 5.2841 5.3199 5.3199 6.0295 6.0295 6.0558 6.0558 6.4119 6.4119 6.4142 6.4142 11.7125 11.7125 11.7130 11.7130 15.8354 15.8354 k = 0.1058 0.3361-0.0000 ( 2682 PWs) bands (ev): -17.9899 -17.9899 -17.9896 -17.9896 -17.5706 -17.5706 -17.5699 -17.5699 -1.2477 -1.2477 -1.2454 -1.2454 -0.0223 -0.0223 -0.0192 -0.0192 0.2320 0.2320 0.2459 0.2459 0.4744 0.4744 0.4902 0.4902 1.0448 1.0448 1.0475 1.0475 2.0075 2.0075 2.0124 2.0124 4.8776 4.8776 4.8991 4.8991 5.0140 5.0140 5.0301 5.0301 5.2863 5.2863 5.3191 5.3191 6.0514 6.0514 6.0778 6.0778 6.4002 6.4002 6.4042 6.4042 11.6668 11.6668 11.6673 11.6673 15.7939 15.7939 k = 0.0962 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.9940 -17.9940 -17.9937 -17.9937 -17.5704 -17.5704 -17.5697 -17.5697 -1.2573 -1.2573 -1.2553 -1.2553 -0.0069 -0.0069 -0.0042 -0.0042 0.2366 0.2366 0.2498 0.2498 0.4918 0.4918 0.5071 0.5071 1.0395 1.0395 1.0422 1.0422 2.0080 2.0080 2.0128 2.0128 4.8754 4.8754 4.8955 4.8955 5.0122 5.0122 5.0277 5.0277 5.2885 5.2885 5.3184 5.3184 6.0727 6.0727 6.0991 6.0991 6.3886 6.3886 6.3942 6.3942 11.6246 11.6246 11.6251 11.6251 15.7553 15.7553 k = 0.0865 0.3361-0.0000 ( 2686 PWs) bands (ev): -17.9977 -17.9977 -17.9975 -17.9975 -17.5703 -17.5703 -17.5696 -17.5696 -1.2662 -1.2662 -1.2643 -1.2643 0.0080 0.0080 0.0103 0.0103 0.2394 0.2394 0.2519 0.2519 0.5082 0.5082 0.5227 0.5227 1.0355 1.0355 1.0382 1.0382 2.0082 2.0082 2.0127 2.0127 4.8733 4.8733 4.8916 4.8916 5.0108 5.0108 5.0255 5.0255 5.2907 5.2907 5.3176 5.3176 6.0934 6.0934 6.1196 6.1196 6.3772 6.3772 6.3845 6.3845 11.5859 11.5859 11.5864 11.5864 15.7198 15.7198 k = 0.0769 0.3361-0.0000 ( 2688 PWs) bands (ev): -18.0011 -18.0011 -18.0009 -18.0009 -17.5701 -17.5701 -17.5696 -17.5696 -1.2742 -1.2742 -1.2725 -1.2725 0.0224 0.0224 0.0243 0.0243 0.2408 0.2408 0.2523 0.2523 0.5231 0.5231 0.5366 0.5366 1.0329 1.0329 1.0355 1.0355 2.0082 2.0082 2.0123 2.0123 4.8711 4.8711 4.8876 4.8876 5.0099 5.0099 5.0234 5.0234 5.2929 5.2929 5.3168 5.3168 6.1133 6.1133 6.1392 6.1392 6.3660 6.3660 6.3748 6.3748 11.5509 11.5509 11.5513 11.5513 15.6876 15.6876 k = 0.0673 0.3361-0.0000 ( 2684 PWs) bands (ev): -18.0041 -18.0041 -18.0039 -18.0039 -17.5700 -17.5700 -17.5695 -17.5695 -1.2813 -1.2813 -1.2798 -1.2798 0.0361 0.0361 0.0376 0.0376 0.2410 0.2410 0.2514 0.2514 0.5363 0.5363 0.5486 0.5486 1.0315 1.0315 1.0340 1.0340 2.0079 2.0079 2.0116 2.0116 4.8691 4.8691 4.8837 4.8837 5.0093 5.0093 5.0215 5.0215 5.2951 5.2951 5.3159 5.3159 6.1324 6.1324 6.1577 6.1577 6.3551 6.3551 6.3653 6.3653 11.5197 11.5197 11.5201 11.5201 15.6588 15.6588 k = 0.0577 0.3361-0.0000 ( 2680 PWs) bands (ev): -18.0067 -18.0067 -18.0066 -18.0066 -17.5699 -17.5699 -17.5695 -17.5695 -1.2875 -1.2875 -1.2862 -1.2862 0.0490 0.0490 0.0500 0.0500 0.2402 0.2402 0.2494 0.2494 0.5478 0.5478 0.5587 0.5587 1.0312 1.0312 1.0335 1.0335 2.0074 2.0074 2.0108 2.0108 4.8673 4.8673 4.8799 4.8799 5.0090 5.0090 5.0197 5.0197 5.2972 5.2972 5.3150 5.3150 6.1506 6.1506 6.1750 6.1750 6.3445 6.3445 6.3559 6.3559 11.4925 11.4925 11.4928 11.4928 15.6335 15.6335 k = 0.0481 0.3361-0.0000 ( 2680 PWs) bands (ev): -18.0089 -18.0089 -18.0088 -18.0088 -17.5698 -17.5698 -17.5694 -17.5694 -1.2928 -1.2928 -1.2917 -1.2917 0.0608 0.0608 0.0615 0.0615 0.2387 0.2387 0.2466 0.2466 0.5574 0.5574 0.5667 0.5667 1.0317 1.0317 1.0337 1.0337 2.0070 2.0070 2.0098 2.0098 4.8658 4.8658 4.8763 4.8763 5.0089 5.0089 5.0180 5.0180 5.2992 5.2992 5.3141 5.3141 6.1677 6.1677 6.1909 6.1909 6.3342 6.3342 6.3465 6.3465 11.4692 11.4692 11.4695 11.4695 15.6120 15.6120 k = 0.0385 0.3361-0.0000 ( 2688 PWs) bands (ev): -18.0108 -18.0108 -18.0107 -18.0107 -17.5697 -17.5697 -17.5694 -17.5694 -1.2971 -1.2971 -1.2963 -1.2963 0.0712 0.0712 0.0716 0.0716 0.2368 0.2368 0.2434 0.2434 0.5652 0.5652 0.5728 0.5728 1.0326 1.0326 1.0343 1.0343 2.0065 2.0065 2.0088 2.0088 4.8646 4.8646 4.8730 4.8730 5.0090 5.0090 5.0164 5.0164 5.3011 5.3011 5.3130 5.3130 6.1835 6.1835 6.2050 6.2050 6.3247 6.3247 6.3373 6.3373 11.4501 11.4501 11.4503 11.4503 15.5942 15.5942 k = 0.0288 0.3361-0.0000 ( 2688 PWs) bands (ev): -18.0122 -18.0122 -18.0121 -18.0121 -17.5697 -17.5697 -17.5694 -17.5694 -1.3005 -1.3005 -1.2998 -1.2998 0.0799 0.0799 0.0800 0.0800 0.2349 0.2349 0.2400 0.2400 0.5713 0.5713 0.5772 0.5772 1.0338 1.0338 1.0351 1.0351 2.0061 2.0061 2.0079 2.0079 4.8639 4.8639 4.8702 4.8702 5.0094 5.0094 5.0150 5.0150 5.3030 5.3030 5.3119 5.3119 6.1979 6.1979 6.2167 6.2167 6.3163 6.3163 6.3284 6.3284 11.4351 11.4351 11.4353 11.4353 15.5802 15.5802 k = 0.0192 0.3361-0.0000 ( 2680 PWs) bands (ev): -18.0132 -18.0132 -18.0131 -18.0131 -17.5696 -17.5696 -17.5694 -17.5694 -1.3028 -1.3028 -1.3024 -1.3024 0.0865 0.0865 0.0865 0.0865 0.2335 0.2335 0.2370 0.2370 0.5759 0.5759 0.5799 0.5799 1.0349 1.0349 1.0358 1.0358 2.0059 2.0059 2.0071 2.0071 4.8637 4.8637 4.8679 4.8679 5.0100 5.0100 5.0137 5.0137 5.3048 5.3048 5.3107 5.3107 6.2106 6.2106 6.2251 6.2251 6.3100 6.3100 6.3201 6.3201 11.4244 11.4244 11.4245 11.4245 15.5702 15.5702 k = 0.0096 0.3361-0.0000 ( 2680 PWs) bands (ev): -18.0138 -18.0138 -18.0138 -18.0138 -17.5696 -17.5696 -17.5695 -17.5695 -1.3042 -1.3042 -1.3040 -1.3040 0.0906 0.0906 0.0906 0.0906 0.2328 0.2328 0.2346 0.2346 0.5791 0.5791 0.5810 0.5810 1.0358 1.0358 1.0362 1.0362 2.0059 2.0059 2.0065 2.0065 4.8639 4.8639 4.8660 4.8660 5.0107 5.0107 5.0126 5.0126 5.3064 5.3064 5.3094 5.3094 6.2207 6.2207 6.2289 6.2289 6.3070 6.3070 6.3130 6.3130 11.4180 11.4180 11.4180 11.4180 15.5642 15.5642 k = 0.0000 0.3361-0.0000 ( 2672 PWs) bands (ev): -18.0140 -18.0140 -18.0140 -18.0140 -17.5695 -17.5695 -17.5695 -17.5695 -1.3046 -1.3046 -1.3046 -1.3046 0.0921 0.0921 0.0921 0.0921 0.2331 0.2331 0.2331 0.2331 0.5807 0.5807 0.5807 0.5807 1.0363 1.0363 1.0363 1.0363 2.0061 2.0061 2.0061 2.0061 4.8647 4.8647 4.8647 4.8647 5.0116 5.0116 5.0116 5.0116 5.3080 5.3080 5.3080 5.3080 6.2273 6.2273 6.2273 6.2273 6.3083 6.3083 6.3083 6.3083 11.4158 11.4158 11.4158 11.4158 15.5622 15.5622 k = 0.0000 0.3361-0.0000 ( 2672 PWs) bands (ev): -18.0140 -18.0140 -18.0140 -18.0140 -17.5695 -17.5695 -17.5695 -17.5695 -1.3046 -1.3046 -1.3046 -1.3046 0.0921 0.0921 0.0921 0.0921 0.2331 0.2331 0.2331 0.2331 0.5807 0.5807 0.5807 0.5807 1.0363 1.0363 1.0363 1.0363 2.0061 2.0061 2.0061 2.0061 4.8647 4.8647 4.8647 4.8647 5.0116 5.0116 5.0116 5.0116 5.3080 5.3080 5.3080 5.3080 6.2273 6.2273 6.2273 6.2273 6.3083 6.3083 6.3083 6.3083 11.4158 11.4158 11.4158 11.4158 15.5622 15.5622 k = 0.0000 0.3265-0.0000 ( 2670 PWs) bands (ev): -18.0304 -18.0304 -17.9975 -17.9975 -17.5721 -17.5721 -17.5670 -17.5670 -1.3382 -1.3382 -1.2714 -1.2714 0.0901 0.0901 0.0921 0.0921 0.2313 0.2313 0.2351 0.2351 0.5446 0.5446 0.6203 0.6203 1.0126 1.0126 1.0600 1.0600 1.9927 1.9927 2.0199 2.0199 4.8641 4.8641 4.8649 4.8649 5.0092 5.0092 5.0133 5.0133 5.2922 5.2922 5.3238 5.3238 6.1904 6.1904 6.2621 6.2621 6.3081 6.3081 6.3109 6.3109 11.3040 11.3040 11.5281 11.5281 15.5335 15.5335 k = 0.0000 0.3169-0.0000 ( 2672 PWs) bands (ev): -18.0467 -18.0467 -17.9809 -17.9809 -17.5747 -17.5747 -17.5645 -17.5645 -1.3722 -1.3722 -1.2388 -1.2388 0.0860 0.0860 0.0903 0.0903 0.2295 0.2295 0.2371 0.2371 0.5122 0.5122 0.6629 0.6629 0.9891 0.9891 1.0839 1.0839 1.9800 1.9800 2.0342 2.0342 4.8628 4.8628 4.8644 4.8644 5.0062 5.0062 5.0144 5.0144 5.2763 5.2763 5.3394 5.3394 6.1528 6.1528 6.2880 6.2880 6.3104 6.3104 6.3216 6.3216 11.1928 11.1928 11.6406 11.6406 15.5034 15.5034 k = 0.0000 0.3073-0.0000 ( 2668 PWs) bands (ev): -18.0629 -18.0629 -17.9643 -17.9643 -17.5773 -17.5773 -17.5620 -17.5620 -1.4064 -1.4064 -1.2068 -1.2068 0.0797 0.0797 0.0869 0.0869 0.2279 0.2279 0.2391 0.2391 0.4839 0.4839 0.7082 0.7082 0.9658 0.9658 1.1078 1.1078 1.9680 1.9680 2.0488 2.0488 4.8611 4.8611 4.8634 4.8634 5.0025 5.0025 5.0147 5.0147 5.2605 5.2605 5.3549 5.3549 6.1151 6.1151 6.2965 6.2965 6.3137 6.3137 6.3497 6.3497 11.0821 11.0821 11.7534 11.7534 15.4721 15.4721 k = 0.0000 0.2977-0.0000 ( 2664 PWs) bands (ev): -18.0789 -18.0789 -17.9478 -17.9478 -17.5799 -17.5799 -17.5596 -17.5596 -1.4408 -1.4408 -1.1755 -1.1755 0.0706 0.0706 0.0826 0.0826 0.2264 0.2264 0.2413 0.2413 0.4599 0.4599 0.7558 0.7558 0.9428 0.9428 1.1318 1.1318 1.9567 1.9567 2.0636 2.0636 4.8589 4.8589 4.8618 4.8618 4.9984 4.9984 5.0143 5.0143 5.2446 5.2446 5.3702 5.3702 6.0774 6.0774 6.2990 6.2990 6.3175 6.3175 6.3842 6.3842 10.9723 10.9723 11.8663 11.8663 15.4397 15.4397 k = 0.0000 0.2881-0.0000 ( 2666 PWs) bands (ev): -18.0947 -18.0947 -17.9312 -17.9312 -17.5825 -17.5825 -17.5573 -17.5573 -1.4754 -1.4754 -1.1450 -1.1450 0.0587 0.0587 0.0775 0.0775 0.2249 0.2249 0.2435 0.2435 0.4401 0.4401 0.8053 0.8053 0.9201 0.9201 1.1557 1.1557 1.9463 1.9463 2.0785 2.0785 4.8561 4.8561 4.8597 4.8597 4.9937 4.9937 5.0132 5.0132 5.2287 5.2287 5.3852 5.3852 6.0399 6.0399 6.3006 6.3006 6.3217 6.3217 6.4196 6.4196 10.8634 10.8634 11.9791 11.9791 15.4063 15.4063 k = 0.0000 0.2785-0.0000 ( 2676 PWs) bands (ev): -18.1103 -18.1103 -17.9148 -17.9148 -17.5851 -17.5851 -17.5550 -17.5550 -1.5099 -1.5099 -1.1153 -1.1153 0.0439 0.0439 0.0721 0.0721 0.2237 0.2237 0.2457 0.2457 0.4243 0.4243 0.8561 0.8561 0.8983 0.8983 1.1795 1.1795 1.9368 1.9368 2.0935 2.0935 4.8528 4.8528 4.8569 4.8569 4.9885 4.9885 5.0113 5.0113 5.2129 5.2129 5.4000 5.4000 6.0028 6.0028 6.3024 6.3024 6.3263 6.3263 6.4548 6.4548 10.7555 10.7555 12.0918 12.0918 15.3721 15.3721 k = 0.0000 0.2689-0.0000 ( 2680 PWs) bands (ev): -18.1256 -18.1256 -17.8984 -17.8984 -17.5877 -17.5877 -17.5529 -17.5529 -1.5444 -1.5444 -1.0866 -1.0866 0.0268 0.0268 0.0668 0.0668 0.2225 0.2225 0.2480 0.2480 0.4121 0.4121 0.8739 0.8739 0.9111 0.9111 1.2033 1.2033 1.9283 1.9283 2.1084 2.1084 4.8489 4.8489 4.8537 4.8537 4.9830 4.9830 5.0087 5.0087 5.1971 5.1971 5.4145 5.4145 5.9661 5.9661 6.3046 6.3046 6.3314 6.3314 6.4897 6.4897 10.6488 10.6488 12.2043 12.2043 15.3373 15.3373 k = 0.0000 0.2593-0.0000 ( 2686 PWs) bands (ev): -18.1407 -18.1407 -17.8822 -17.8822 -17.5902 -17.5902 -17.5508 -17.5508 -1.5788 -1.5788 -1.0588 -1.0588 0.0077 0.0077 0.0616 0.0616 0.2216 0.2216 0.2503 0.2503 0.4029 0.4029 0.8528 0.8528 0.9645 0.9645 1.2269 1.2269 1.9209 1.9209 2.1233 2.1233 4.8444 4.8444 4.8500 4.8500 4.9771 4.9771 5.0055 5.0055 5.1815 5.1815 5.4284 5.4284 5.9302 5.9302 6.3072 6.3072 6.3368 6.3368 6.5240 6.5240 10.5435 10.5435 12.3164 12.3164 15.3022 15.3022 k = 0.0000 0.2497-0.0000 ( 2690 PWs) bands (ev): -18.1554 -18.1554 -17.8661 -17.8661 -17.5928 -17.5928 -17.5488 -17.5488 -1.6128 -1.6128 -1.0322 -1.0322 -0.0127 -0.0127 0.0567 0.0567 0.2208 0.2208 0.2527 0.2527 0.3960 0.3960 0.8315 0.8315 1.0195 1.0195 1.2503 1.2503 1.9145 1.9145 2.1379 2.1379 4.8393 4.8393 4.8460 4.8460 4.9709 4.9709 5.0016 5.0016 5.1660 5.1660 5.4420 5.4420 5.8950 5.8950 6.3103 6.3103 6.3425 6.3425 6.5576 6.5576 10.4396 10.4396 12.4281 12.4281 15.2668 15.2668 k = 0.0000 0.2401-0.0000 ( 2684 PWs) bands (ev): -18.1698 -18.1698 -17.8502 -17.8502 -17.5953 -17.5953 -17.5469 -17.5469 -1.6465 -1.6465 -1.0066 -1.0066 -0.0339 -0.0339 0.0522 0.0522 0.2202 0.2202 0.2551 0.2551 0.3910 0.3910 0.8105 0.8105 1.0753 1.0753 1.2736 1.2736 1.9094 1.9094 2.1523 2.1523 4.8334 4.8334 4.8417 4.8417 4.9645 4.9645 4.9972 4.9972 5.1508 5.1508 5.4550 5.4550 5.8609 5.8609 6.3138 6.3138 6.3485 6.3485 6.5904 6.5904 10.3373 10.3373 12.5393 12.5393 15.2313 15.2313 k = 0.0000 0.2305-0.0000 ( 2684 PWs) bands (ev): -18.1839 -18.1839 -17.8346 -17.8346 -17.5977 -17.5977 -17.5452 -17.5452 -1.6798 -1.6798 -0.9824 -0.9824 -0.0555 -0.0555 0.0483 0.0483 0.2197 0.2197 0.2575 0.2575 0.3872 0.3872 0.7899 0.7899 1.1316 1.1316 1.2966 1.2966 1.9054 1.9054 2.1664 2.1664 4.8268 4.8268 4.8371 4.8371 4.9579 4.9579 4.9922 4.9922 5.1357 5.1357 5.4674 5.4674 5.8279 5.8279 6.3178 6.3178 6.3547 6.3547 6.6223 6.6223 10.2369 10.2369 12.6498 12.6498 15.1960 15.1960 k = 0.0000 0.2208-0.0000 ( 2680 PWs) bands (ev): -18.1975 -18.1975 -17.8192 -17.8192 -17.6001 -17.6001 -17.5435 -17.5435 -1.7125 -1.7125 -0.9593 -0.9593 -0.0770 -0.0770 0.0451 0.0451 0.2195 0.2195 0.2598 0.2598 0.3843 0.3843 0.7698 0.7698 1.1882 1.1882 1.3195 1.3195 1.9026 1.9026 2.1801 2.1801 4.8195 4.8195 4.8323 4.8323 4.9511 4.9511 4.9866 4.9866 5.1209 5.1209 5.4790 5.4790 5.7963 5.7963 6.3220 6.3220 6.3611 6.3611 6.6532 6.6532 10.1383 10.1383 12.7595 12.7595 15.1610 15.1610 k = 0.0000 0.2112-0.0000 ( 2680 PWs) bands (ev): -18.2108 -18.2108 -17.8040 -17.8040 -17.6025 -17.6025 -17.5420 -17.5420 -1.7446 -1.7446 -0.9376 -0.9376 -0.0982 -0.0982 0.0426 0.0426 0.2194 0.2194 0.2622 0.2622 0.3819 0.3819 0.7502 0.7502 1.2446 1.2446 1.3424 1.3424 1.9010 1.9010 2.1933 2.1933 4.8114 4.8114 4.8274 4.8274 4.9442 4.9442 4.9807 4.9807 5.1063 5.1063 5.4896 5.4896 5.7665 5.7665 6.3266 6.3266 6.3676 6.3676 6.6833 6.6833 10.0419 10.0419 12.8684 12.8684 15.1265 15.1265 k = 0.0000 0.2016-0.0000 ( 2683 PWs) bands (ev): -18.2236 -18.2236 -17.7892 -17.7892 -17.6048 -17.6048 -17.5407 -17.5407 -1.7760 -1.7760 -0.9173 -0.9173 -0.1188 -0.1188 0.0408 0.0408 0.2195 0.2195 0.2645 0.2645 0.3798 0.3798 0.7310 0.7310 1.2998 1.2998 1.3658 1.3658 1.9006 1.9006 2.2061 2.2061 4.8027 4.8027 4.8222 4.8222 4.9371 4.9371 4.9743 4.9743 5.0920 5.0920 5.4989 5.4989 5.7386 5.7386 6.3315 6.3315 6.3742 6.3742 6.7122 6.7122 9.9478 9.9478 12.9763 12.9763 15.0926 15.0926 k = 0.0000 0.1920-0.0000 ( 2679 PWs) bands (ev): -18.2360 -18.2360 -17.7747 -17.7747 -17.6070 -17.6070 -17.5395 -17.5395 -1.8066 -1.8066 -0.8984 -0.8984 -0.1387 -0.1387 0.0399 0.0399 0.2198 0.2198 0.2668 0.2668 0.3778 0.3778 0.7124 0.7124 1.3512 1.3512 1.3924 1.3924 1.9012 1.9012 2.2184 2.2184 4.7933 4.7933 4.8170 4.8170 4.9301 4.9301 4.9677 4.9677 5.0779 5.0779 5.5065 5.5065 5.7134 5.7134 6.3365 6.3365 6.3808 6.3808 6.7401 6.7401 9.8561 9.8561 13.0830 13.0830 15.0595 15.0595 k = 0.0000 0.1824-0.0000 ( 2679 PWs) bands (ev): -18.2479 -18.2479 -17.7605 -17.7605 -17.6092 -17.6092 -17.5385 -17.5385 -1.8363 -1.8363 -0.8809 -0.8809 -0.1576 -0.1576 0.0398 0.0398 0.2203 0.2203 0.2691 0.2691 0.3757 0.3757 0.6944 0.6944 1.3899 1.3899 1.4305 1.4305 1.9030 1.9030 2.2300 2.2300 4.7833 4.7833 4.8117 4.8117 4.9230 4.9230 4.9608 4.9608 5.0642 5.0642 5.5120 5.5120 5.6912 5.6912 6.3418 6.3418 6.3874 6.3874 6.7668 6.7668 9.7671 9.7671 13.1885 13.1885 15.0274 15.0274 k = 0.0000 0.1728-0.0000 ( 2681 PWs) bands (ev): -18.2594 -18.2594 -17.7467 -17.7467 -17.6113 -17.6113 -17.5376 -17.5376 -1.8650 -1.8650 -0.8647 -0.8647 -0.1757 -0.1757 0.0406 0.0406 0.2209 0.2209 0.2712 0.2712 0.3735 0.3735 0.6770 0.6770 1.4155 1.4155 1.4803 1.4803 1.9057 1.9057 2.2411 2.2411 4.7728 4.7728 4.8063 4.8063 4.9159 4.9159 4.9537 4.9537 5.0508 5.0508 5.5145 5.5145 5.6729 5.6729 6.3471 6.3471 6.3940 6.3940 6.7924 6.7924 9.6809 9.6809 13.2926 13.2926 14.9963 14.9963 k = 0.0000 0.1632-0.0000 ( 2681 PWs) bands (ev): -18.2703 -18.2703 -17.7333 -17.7333 -17.6133 -17.6133 -17.5370 -17.5370 -1.8927 -1.8927 -0.8500 -0.8500 -0.1927 -0.1927 0.0421 0.0421 0.2218 0.2218 0.2734 0.2734 0.3711 0.3711 0.6602 0.6602 1.4366 1.4366 1.5330 1.5330 1.9093 1.9093 2.2516 2.2516 4.7618 4.7618 4.8009 4.8009 4.9088 4.9088 4.9466 4.9466 5.0378 5.0378 5.5135 5.5135 5.6593 5.6593 6.3524 6.3524 6.4005 6.4005 6.8167 6.8167 9.5978 9.5978 13.3951 13.3951 14.9664 14.9664 k = 0.0000 0.1536-0.0000 ( 2687 PWs) bands (ev): -18.2807 -18.2807 -17.7203 -17.7203 -17.6152 -17.6152 -17.5365 -17.5365 -1.9192 -1.9192 -0.8367 -0.8367 -0.2087 -0.2087 0.0443 0.0443 0.2227 0.2227 0.2754 0.2754 0.3684 0.3684 0.6440 0.6440 1.4559 1.4559 1.5856 1.5856 1.9137 1.9137 2.2614 2.2614 4.7505 4.7505 4.7954 4.7954 4.9017 4.9017 4.9394 4.9394 5.0253 5.0253 5.5086 5.5086 5.6505 5.6505 6.3578 6.3578 6.4068 6.4068 6.8397 6.8397 9.5180 9.5180 13.4959 13.4959 14.9377 14.9377 k = 0.0000 0.1440-0.0000 ( 2685 PWs) bands (ev): -18.2905 -18.2905 -17.7078 -17.7078 -17.6170 -17.6170 -17.5363 -17.5363 -1.9446 -1.9446 -0.8246 -0.8246 -0.2235 -0.2235 0.0473 0.0473 0.2239 0.2239 0.2774 0.2774 0.3655 0.3655 0.6285 0.6285 1.4740 1.4740 1.6371 1.6371 1.9189 1.9189 2.2706 2.2706 4.7390 4.7390 4.7901 4.7901 4.8947 4.8947 4.9323 4.9323 5.0131 5.0131 5.5003 5.5003 5.6462 5.6462 6.3631 6.3631 6.4130 6.4130 6.8616 6.8616 9.4416 9.4416 13.5948 13.5948 14.9105 14.9105 k = 0.0000 0.1344-0.0000 ( 2679 PWs) bands (ev): -18.2998 -18.2998 -17.6957 -17.6957 -17.6187 -17.6187 -17.5362 -17.5362 -1.9686 -1.9686 -0.8139 -0.8139 -0.2373 -0.2373 0.0508 0.0508 0.2252 0.2252 0.2793 0.2793 0.3625 0.3625 0.6137 0.6137 1.4911 1.4911 1.6871 1.6871 1.9246 1.9246 2.2791 2.2791 4.7273 4.7273 4.7849 4.7849 4.8879 4.8879 4.9254 4.9254 5.0015 5.0015 5.4896 5.4896 5.6455 5.6455 6.3683 6.3683 6.4190 6.4190 6.8821 6.8821 9.3688 9.3688 13.6916 13.6916 14.8847 14.8847 k = 0.0000 0.1248-0.0000 ( 2679 PWs) bands (ev): -18.3085 -18.3085 -17.6841 -17.6841 -17.6204 -17.6204 -17.5364 -17.5364 -1.9913 -1.9913 -0.8043 -0.8043 -0.2500 -0.2500 0.0548 0.0548 0.2266 0.2266 0.2811 0.2811 0.3593 0.3593 0.5997 0.5997 1.5071 1.5071 1.7352 1.7352 1.9309 1.9309 2.2870 2.2870 4.7155 4.7155 4.7797 4.7797 4.8813 4.8813 4.9186 4.9186 4.9905 4.9905 5.4776 5.4776 5.6471 5.6471 6.3733 6.3733 6.4247 6.4247 6.9013 6.9013 9.3000 9.3000 13.7860 13.7860 14.8604 14.8604 k = 0.0000 0.1152-0.0000 ( 2681 PWs) bands (ev): -18.3166 -18.3166 -17.6730 -17.6730 -17.6219 -17.6219 -17.5369 -17.5369 -2.0125 -2.0125 -0.7959 -0.7959 -0.2617 -0.2617 0.0591 0.0591 0.2282 0.2282 0.2828 0.2828 0.3560 0.3560 0.5864 0.5864 1.5221 1.5221 1.7810 1.7810 1.9376 1.9376 2.2942 2.2942 4.7039 4.7039 4.7747 4.7747 4.8748 4.8748 4.9122 4.9122 4.9799 4.9799 5.4652 5.4652 5.6503 5.6503 6.3782 6.3782 6.4302 6.4302 6.9191 6.9191 9.2352 9.2352 13.8777 13.8777 14.8378 14.8378 k = 0.0000 0.1056-0.0000 ( 2689 PWs) bands (ev): -18.3242 -18.3242 -17.6624 -17.6624 -17.6233 -17.6233 -17.5376 -17.5376 -2.0323 -2.0323 -0.7886 -0.7886 -0.2723 -0.2723 0.0637 0.0637 0.2298 0.2298 0.2844 0.2844 0.3526 0.3526 0.5740 0.5740 1.5361 1.5361 1.8242 1.8242 1.9446 1.9446 2.3007 2.3007 4.6924 4.6924 4.7698 4.7698 4.8686 4.8686 4.9060 4.9060 4.9700 4.9700 5.4529 5.4529 5.6542 5.6542 6.3827 6.3827 6.4353 6.4353 6.9355 6.9355 9.1746 9.1746 13.9665 13.9665 14.8168 14.8168 k = 0.0000 0.0960-0.0000 ( 2697 PWs) bands (ev): -18.3311 -18.3311 -17.6524 -17.6524 -17.6245 -17.6245 -17.5386 -17.5386 -2.0506 -2.0506 -0.7822 -0.7822 -0.2818 -0.2818 0.0684 0.0684 0.2315 0.2315 0.2859 0.2859 0.3492 0.3492 0.5624 0.5624 1.5491 1.5491 1.8642 1.8642 1.9521 1.9521 2.3065 2.3065 4.6813 4.6813 4.7652 4.7652 4.8626 4.8626 4.9002 4.9002 4.9608 4.9608 5.4413 5.4413 5.6584 5.6584 6.3870 6.3870 6.4401 6.4401 6.9505 6.9505 9.1186 9.1186 14.0518 14.0518 14.7976 14.7976 k = 0.0000 0.0864-0.0000 ( 2693 PWs) bands (ev): -18.3374 -18.3374 -17.6429 -17.6429 -17.6257 -17.6257 -17.5398 -17.5398 -2.0673 -2.0673 -0.7767 -0.7767 -0.2904 -0.2904 0.0731 0.0731 0.2332 0.2332 0.2872 0.2872 0.3459 0.3459 0.5517 0.5517 1.5609 1.5609 1.9004 1.9004 1.9604 1.9604 2.3118 2.3118 4.6708 4.6708 4.7609 4.7609 4.8571 4.8571 4.8948 4.8948 4.9523 4.9523 5.4305 5.4305 5.6627 5.6627 6.3910 6.3910 6.4446 6.4446 6.9642 6.9642 9.0672 9.0672 14.1333 14.1333 14.7802 14.7802 k = 0.0000 0.0768-0.0000 ( 2697 PWs) bands (ev): -18.3430 -18.3430 -17.6342 -17.6342 -17.6265 -17.6265 -17.5412 -17.5412 -2.0823 -2.0823 -0.7720 -0.7720 -0.2979 -0.2979 0.0777 0.0777 0.2349 0.2349 0.2884 0.2884 0.3427 0.3427 0.5420 0.5420 1.5716 1.5716 1.9307 1.9307 1.9711 1.9711 2.3163 2.3163 4.6609 4.6609 4.7569 4.7569 4.8519 4.8519 4.8899 4.8899 4.9446 4.9446 5.4208 5.4208 5.6669 5.6669 6.3946 6.3946 6.4486 6.4486 6.9764 6.9764 9.0207 9.0207 14.2103 14.2103 14.7646 14.7646 k = 0.0000 0.0672-0.0000 ( 2693 PWs) bands (ev): -18.3480 -18.3480 -17.6288 -17.6288 -17.6245 -17.6245 -17.5429 -17.5429 -2.0957 -2.0957 -0.7681 -0.7681 -0.3045 -0.3045 0.0821 0.0821 0.2366 0.2366 0.2895 0.2895 0.3397 0.3397 0.5332 0.5332 1.5811 1.5811 1.9516 1.9516 1.9875 1.9875 2.3203 2.3203 4.6518 4.6518 4.7533 4.7533 4.8472 4.8472 4.8856 4.8856 4.9377 4.9377 5.4121 5.4121 5.6708 5.6708 6.3979 6.3979 6.4523 6.4523 6.9872 6.9872 8.9792 8.9792 14.2822 14.2822 14.7509 14.7509 k = 0.0000 0.0576-0.0000 ( 2691 PWs) bands (ev): -18.3524 -18.3524 -17.6290 -17.6290 -17.6174 -17.6174 -17.5448 -17.5448 -2.1073 -2.1073 -0.7648 -0.7648 -0.3102 -0.3102 0.0861 0.0861 0.2382 0.2382 0.2905 0.2905 0.3370 0.3370 0.5255 0.5255 1.5895 1.5895 1.9633 1.9633 2.0088 2.0088 2.3237 2.3237 4.6436 4.6436 4.7501 4.7501 4.8430 4.8430 4.8817 4.8817 4.9316 4.9316 5.4046 5.4046 5.6743 5.6743 6.4008 6.4008 6.4555 6.4555 6.9966 6.9966 8.9428 8.9428 14.3480 14.3480 14.7391 14.7391 k = 0.0000 0.0480-0.0000 ( 2691 PWs) bands (ev): -18.3561 -18.3561 -17.6296 -17.6296 -17.6105 -17.6105 -17.5469 -17.5469 -2.1173 -2.1173 -0.7622 -0.7622 -0.3150 -0.3150 0.0897 0.0897 0.2396 0.2396 0.2913 0.2913 0.3346 0.3346 0.5189 0.5189 1.5966 1.5966 1.9705 1.9705 2.0302 2.0302 2.3265 2.3265 4.6364 4.6364 4.7472 4.7472 4.8394 4.8394 4.8784 4.8784 4.9264 4.9264 5.3983 5.3983 5.6774 5.6774 6.4033 6.4033 6.4583 6.4583 7.0045 7.0045 8.9119 8.9119 14.4069 14.4069 14.7293 14.7293 k = 0.0000 0.0384-0.0000 ( 2691 PWs) bands (ev): -18.3591 -18.3591 -17.6301 -17.6301 -17.6043 -17.6043 -17.5491 -17.5491 -2.1254 -2.1254 -0.7601 -0.7601 -0.3188 -0.3188 0.0928 0.0928 0.2409 0.2409 0.2920 0.2920 0.3325 0.3325 0.5134 0.5134 1.6024 1.6024 1.9756 1.9756 2.0489 2.0489 2.3287 2.3287 4.6304 4.6304 4.7449 4.7449 4.8364 4.8364 4.8757 4.8757 4.9221 4.9221 5.3931 5.3931 5.6799 5.6799 6.4054 6.4054 6.4605 6.4605 7.0109 7.0109 8.8863 8.8863 14.4574 14.4574 14.7216 14.7216 k = 0.0000 0.0288-0.0000 ( 2687 PWs) bands (ev): -18.3615 -18.3615 -17.6305 -17.6305 -17.5990 -17.5990 -17.5512 -17.5512 -2.1318 -2.1318 -0.7585 -0.7585 -0.3218 -0.3218 0.0952 0.0952 0.2419 0.2419 0.2925 0.2925 0.3309 0.3309 0.5090 0.5090 1.6070 1.6070 1.9794 1.9794 2.0639 2.0639 2.3304 2.3304 4.6256 4.6256 4.7430 4.7430 4.8340 4.8340 4.8735 4.8735 4.9188 4.9188 5.3891 5.3891 5.6820 5.6820 6.4070 6.4070 6.4623 6.4623 7.0160 7.0160 8.8664 8.8664 14.4985 14.4985 14.7160 14.7160 k = 0.0000 0.0192-0.0000 ( 2689 PWs) bands (ev): -18.3632 -18.3632 -17.6308 -17.6308 -17.5948 -17.5948 -17.5532 -17.5532 -2.1364 -2.1364 -0.7575 -0.7575 -0.3240 -0.3240 0.0970 0.0970 0.2427 0.2427 0.2929 0.2929 0.3297 0.3297 0.5059 0.5059 1.6103 1.6103 1.9820 1.9820 2.0748 2.0748 2.3316 2.3316 4.6221 4.6221 4.7417 4.7417 4.8323 4.8323 4.8720 4.8720 4.9164 4.9164 5.3863 5.3863 5.6834 5.6834 6.4081 6.4081 6.4636 6.4636 7.0196 7.0196 8.8520 8.8520 14.5287 14.5287 14.7123 14.7123 k = 0.0000 0.0096-0.0000 ( 2683 PWs) bands (ev): -18.3642 -18.3642 -17.6310 -17.6310 -17.5920 -17.5920 -17.5545 -17.5545 -2.1391 -2.1391 -0.7568 -0.7568 -0.3252 -0.3252 0.0981 0.0981 0.2432 0.2432 0.2931 0.2931 0.3289 0.3289 0.5040 0.5040 1.6122 1.6122 1.9836 1.9836 2.0815 2.0815 2.3323 2.3323 4.6200 4.6200 4.7409 4.7409 4.8312 4.8312 4.8711 4.8711 4.9150 4.9150 5.3846 5.3846 5.6843 5.6843 6.4089 6.4089 6.4644 6.4644 7.0218 7.0218 8.8434 8.8434 14.5472 14.5472 14.7103 14.7103 k = 0.0000 0.0000 0.0000 ( 2683 PWs) bands (ev): -18.3645 -18.3645 -17.6311 -17.6311 -17.5911 -17.5911 -17.5551 -17.5551 -2.1400 -2.1400 -0.7566 -0.7566 -0.3256 -0.3256 0.0985 0.0985 0.2433 0.2433 0.2932 0.2932 0.3287 0.3287 0.5034 0.5034 1.6129 1.6129 1.9841 1.9841 2.0837 2.0837 2.3326 2.3326 4.6193 4.6193 4.7406 4.7406 4.8309 4.8309 4.8708 4.8708 4.9145 4.9145 5.3840 5.3840 5.6846 5.6846 6.4091 6.4091 6.4647 6.4647 7.0225 7.0225 8.8405 8.8405 14.5534 14.5534 14.7097 14.7097 k = 0.0000 0.0000 0.0000 ( 2683 PWs) bands (ev): -18.3645 -18.3645 -17.6311 -17.6311 -17.5911 -17.5911 -17.5551 -17.5551 -2.1400 -2.1400 -0.7566 -0.7566 -0.3256 -0.3256 0.0985 0.0985 0.2433 0.2433 0.2932 0.2932 0.3287 0.3287 0.5034 0.5034 1.6129 1.6129 1.9841 1.9841 2.0837 2.0837 2.3326 2.3326 4.6193 4.6193 4.7406 4.7406 4.8309 4.8309 4.8708 4.8708 4.9145 4.9145 5.3840 5.3840 5.6846 5.6846 6.4091 6.4091 6.4647 6.4647 7.0225 7.0225 8.8405 8.8405 14.5534 14.5534 14.7097 14.7097 k = 0.0000 0.0000 0.0097 ( 2683 PWs) bands (ev): -18.3642 -18.3642 -17.6320 -17.6320 -17.5910 -17.5910 -17.5546 -17.5546 -2.1389 -2.1389 -0.7566 -0.7566 -0.3250 -0.3250 0.0986 0.0986 0.2433 0.2433 0.2929 0.2929 0.3279 0.3279 0.5041 0.5041 1.6121 1.6121 1.9819 1.9819 2.0830 2.0830 2.3320 2.3320 4.6201 4.6201 4.7409 4.7409 4.8313 4.8313 4.8712 4.8712 4.9150 4.9150 5.3846 5.3846 5.6841 5.6841 6.4089 6.4089 6.4644 6.4644 7.0216 7.0216 8.8436 8.8436 14.5550 14.5550 14.6977 14.6977 k = 0.0000 0.0000 0.0195 ( 2687 PWs) bands (ev): -18.3631 -18.3631 -17.6348 -17.6348 -17.5908 -17.5908 -17.5532 -17.5532 -2.1355 -2.1355 -0.7566 -0.7566 -0.3229 -0.3229 0.0991 0.0991 0.2432 0.2432 0.2921 0.2921 0.3256 0.3256 0.5063 0.5063 1.6099 1.6099 1.9753 1.9753 2.0810 2.0810 2.3303 2.3303 4.6225 4.6225 4.7416 4.7416 4.8324 4.8324 4.8724 4.8724 4.9164 4.9164 5.3865 5.3865 5.6829 5.6829 6.4081 6.4081 6.4635 6.4635 7.0190 7.0190 8.8527 8.8527 14.5587 14.5587 14.6644 14.6644 k = 0.0000 0.0000 0.0292 ( 2695 PWs) bands (ev): -18.3614 -18.3614 -17.6392 -17.6392 -17.5905 -17.5905 -17.5511 -17.5511 -2.1299 -2.1299 -0.7567 -0.7567 -0.3194 -0.3194 0.0999 0.0999 0.2431 0.2431 0.2907 0.2907 0.3217 0.3217 0.5099 0.5099 1.6061 1.6061 1.9642 1.9642 2.0776 2.0776 2.3274 2.3274 4.6265 4.6265 4.7429 4.7429 4.8343 4.8343 4.8744 4.8744 4.9188 4.9188 5.3895 5.3895 5.6807 5.6807 6.4069 6.4069 6.4619 6.4619 7.0145 7.0145 8.8679 8.8679 14.5578 14.5578 14.6213 14.6213 k = 0.0000 0.0000 0.0389 ( 2703 PWs) bands (ev): -18.3590 -18.3590 -17.6451 -17.6451 -17.5901 -17.5901 -17.5485 -17.5485 -2.1221 -2.1221 -0.7568 -0.7568 -0.3146 -0.3146 0.1010 0.1010 0.2429 0.2429 0.2889 0.2889 0.3164 0.3164 0.5150 0.5150 1.6008 1.6008 1.9488 1.9488 2.0731 2.0731 2.3234 2.3234 4.6319 4.6319 4.7448 4.7448 4.8369 4.8369 4.8771 4.8771 4.9221 4.9221 5.3939 5.3939 5.6776 5.6776 6.4052 6.4052 6.4599 6.4599 7.0084 7.0084 8.8891 8.8891 14.5193 14.5193 14.6057 14.6057 k = 0.0000 0.0000 0.0487 ( 2701 PWs) bands (ev): -18.3559 -18.3559 -17.6521 -17.6521 -17.5895 -17.5895 -17.5456 -17.5456 -2.1121 -2.1121 -0.7571 -0.7571 -0.3085 -0.3085 0.1025 0.1025 0.2427 0.2427 0.2866 0.2866 0.3097 0.3097 0.5213 0.5213 1.5941 1.5941 1.9292 1.9292 2.0675 2.0675 2.3183 2.3183 4.6388 4.6388 4.7471 4.7471 4.8402 4.8402 4.8806 4.8806 4.9264 4.9264 5.3996 5.3996 5.6738 5.6738 6.4030 6.4030 6.4572 6.4572 7.0005 7.0005 8.9162 8.9162 14.4467 14.4467 14.6183 14.6183 k = 0.0000 0.0000 0.0584 ( 2699 PWs) bands (ev): -18.3522 -18.3522 -17.6600 -17.6600 -17.5888 -17.5888 -17.5426 -17.5426 -2.1000 -2.1000 -0.7574 -0.7574 -0.3010 -0.3010 0.1043 0.1043 0.2425 0.2425 0.2838 0.2838 0.3017 0.3017 0.5289 0.5289 1.5859 1.5859 1.9055 1.9055 2.0609 2.0609 2.3122 2.3122 4.6470 4.6470 4.7499 4.7499 4.8443 4.8443 4.8847 4.8847 4.9318 4.9318 5.4066 5.4066 5.6692 5.6692 6.4004 6.4004 6.4540 6.4540 6.9908 6.9908 8.9491 8.9491 14.3622 14.3622 14.6395 14.6395 k = 0.0000 0.0000 0.0682 ( 2699 PWs) bands (ev): -18.3477 -18.3477 -17.6689 -17.6689 -17.5879 -17.5879 -17.5397 -17.5397 -2.0856 -2.0856 -0.7579 -0.7579 -0.2922 -0.2922 0.1064 0.1064 0.2422 0.2422 0.2803 0.2803 0.2929 0.2929 0.5377 0.5377 1.5764 1.5764 1.8779 1.8779 2.0535 2.0535 2.3049 2.3049 4.6562 4.6562 4.7531 4.7531 4.8489 4.8489 4.8894 4.8894 4.9380 4.9380 5.4151 5.4151 5.6638 5.6638 6.3973 6.3973 6.4503 6.4503 6.9794 6.9794 8.9877 8.9877 14.2711 14.2711 14.6659 14.6659 k = 0.0000 0.0000 0.0779 ( 2691 PWs) bands (ev): -18.3426 -18.3426 -17.6785 -17.6785 -17.5870 -17.5870 -17.5368 -17.5368 -2.0692 -2.0692 -0.7587 -0.7587 -0.2822 -0.2822 0.1089 0.1089 0.2419 0.2419 0.2748 0.2748 0.2846 0.2846 0.5475 0.5475 1.5655 1.5655 1.8467 1.8467 2.0453 2.0453 2.2967 2.2967 4.6665 4.6665 4.7567 4.7567 4.8542 4.8542 4.8946 4.8946 4.9453 4.9453 5.4250 5.4250 5.6576 5.6576 6.3938 6.3938 6.4461 6.4461 6.9663 6.9663 9.0318 9.0318 14.1753 14.1753 14.6968 14.6968 k = 0.0000 0.0000 0.0876 ( 2691 PWs) bands (ev): -18.3369 -18.3369 -17.6888 -17.6888 -17.5859 -17.5859 -17.5341 -17.5341 -2.0507 -2.0507 -0.7598 -0.7598 -0.2709 -0.2709 0.1117 0.1117 0.2416 0.2416 0.2653 0.2653 0.2790 0.2790 0.5585 0.5585 1.5532 1.5532 1.8120 1.8120 2.0365 2.0365 2.2875 2.2875 4.6776 4.6776 4.7606 4.7606 4.8599 4.8599 4.9003 4.9003 4.9535 4.9535 5.4365 5.4365 5.6507 5.6507 6.3899 6.3899 6.4414 6.4414 6.9514 6.9514 9.0813 9.0813 14.0761 14.0761 14.7318 14.7318 k = 0.0000 0.0000 0.0974 ( 2686 PWs) bands (ev): -18.3305 -18.3305 -17.6997 -17.6997 -17.5847 -17.5847 -17.5317 -17.5317 -2.0302 -2.0302 -0.7614 -0.7614 -0.2585 -0.2585 0.1149 0.1149 0.2411 0.2411 0.2531 0.2531 0.2752 0.2752 0.5704 0.5704 1.5397 1.5397 1.7741 1.7741 2.0273 2.0273 2.2773 2.2773 4.6893 4.6893 4.7648 4.7648 4.8662 4.8662 4.9065 4.9065 4.9626 4.9626 5.4495 5.4495 5.6431 5.6431 6.3857 6.3857 6.4363 6.4363 6.9348 6.9348 9.1359 9.1359 13.9740 13.9740 14.7707 14.7707 k = 0.0000 0.0000 0.1071 ( 2686 PWs) bands (ev): -18.3235 -18.3235 -17.7112 -17.7112 -17.5834 -17.5834 -17.5294 -17.5294 -2.0077 -2.0077 -0.7636 -0.7636 -0.2450 -0.2450 0.1186 0.1186 0.2381 0.2381 0.2419 0.2419 0.2719 0.2719 0.5832 0.5832 1.5249 1.5249 1.7333 1.7333 2.0177 2.0177 2.2663 2.2663 4.7015 4.7015 4.7693 4.7693 4.8728 4.8728 4.9130 4.9130 4.9725 4.9725 5.4641 5.4641 5.6349 5.6349 6.3812 6.3812 6.4308 6.4308 6.9165 6.9165 9.1955 9.1955 13.8696 13.8696 14.8134 14.8134 k = 0.0000 0.0000 0.1168 ( 2694 PWs) bands (ev): -18.3159 -18.3159 -17.7232 -17.7232 -17.5819 -17.5819 -17.5275 -17.5275 -1.9833 -1.9833 -0.7664 -0.7664 -0.2305 -0.2305 0.1227 0.1227 0.2242 0.2242 0.2408 0.2408 0.2688 0.2688 0.5970 0.5970 1.5089 1.5089 1.6900 1.6900 2.0079 2.0079 2.2544 2.2544 4.7138 4.7138 4.7739 4.7739 4.8797 4.8797 4.9197 4.9197 4.9831 4.9831 5.4802 5.4802 5.6261 5.6261 6.3763 6.3763 6.4250 6.4250 6.8966 6.8966 9.2598 9.2598 13.7632 13.7632 14.8596 14.8596 k = 0.0000 0.0000 0.1266 ( 2706 PWs) bands (ev): -18.3076 -18.3076 -17.7356 -17.7356 -17.5804 -17.5804 -17.5258 -17.5258 -1.9571 -1.9571 -0.7701 -0.7701 -0.2151 -0.2151 0.1273 0.1273 0.2088 0.2088 0.2403 0.2403 0.2659 0.2659 0.6115 0.6115 1.4918 1.4918 1.6444 1.6444 1.9980 1.9980 2.2418 2.2418 4.7263 4.7263 4.7787 4.7787 4.8869 4.8869 4.9266 4.9266 4.9945 4.9945 5.4977 5.4977 5.6170 5.6170 6.3712 6.3712 6.4188 6.4188 6.8749 6.8749 9.3287 9.3287 13.6551 13.6551 14.9094 14.9094 k = 0.0000 0.0000 0.1363 ( 2706 PWs) bands (ev): -18.2988 -18.2988 -17.7486 -17.7486 -17.5788 -17.5788 -17.5244 -17.5244 -1.9291 -1.9291 -0.7747 -0.7747 -0.1989 -0.1989 0.1325 0.1325 0.1929 0.1929 0.2399 0.2399 0.2630 0.2630 0.6269 0.6269 1.4734 1.4734 1.5969 1.5969 1.9882 1.9882 2.2285 2.2285 4.7388 4.7388 4.7837 4.7837 4.8944 4.8944 4.9338 4.9338 5.0066 5.0066 5.5162 5.5162 5.6081 5.6081 6.3659 6.3659 6.4124 6.4124 6.8518 6.8518 9.4020 9.4020 13.5455 13.5455 14.9625 14.9625 k = 0.0000 0.0000 0.1460 ( 2708 PWs) bands (ev): -18.2894 -18.2894 -17.7620 -17.7620 -17.5770 -17.5770 -17.5232 -17.5232 -1.8994 -1.8994 -0.7804 -0.7804 -0.1821 -0.1821 0.1383 0.1383 0.1769 0.1769 0.2394 0.2394 0.2604 0.2604 0.6430 0.6430 1.4538 1.4538 1.5480 1.5480 1.9787 1.9787 2.2145 2.2145 4.7510 4.7510 4.7887 4.7887 4.9020 4.9020 4.9411 4.9411 5.0193 5.0193 5.5344 5.5344 5.6008 5.6008 6.3605 6.3605 6.4058 6.4058 6.8271 6.8271 9.4793 9.4793 13.4347 13.4347 15.0187 15.0187 k = 0.0000 0.0000 0.1558 ( 2710 PWs) bands (ev): -18.2794 -18.2794 -17.7757 -17.7757 -17.5752 -17.5752 -17.5223 -17.5223 -1.8680 -1.8680 -0.7874 -0.7874 -0.1649 -0.1649 0.1443 0.1443 0.1615 0.1615 0.2390 0.2390 0.2578 0.2578 0.6599 0.6599 1.4324 1.4324 1.4983 1.4983 1.9695 1.9695 2.2000 2.2000 4.7629 4.7629 4.7939 4.7939 4.9098 4.9098 4.9484 4.9484 5.0324 5.0324 5.5481 5.5481 5.5992 5.5992 6.3549 6.3549 6.3990 6.3990 6.8009 6.8009 9.5605 9.5605 13.3226 13.3226 15.0779 15.0779 k = 0.0000 0.0000 0.1655 ( 2702 PWs) bands (ev): -18.2688 -18.2688 -17.7899 -17.7899 -17.5733 -17.5733 -17.5217 -17.5217 -1.8352 -1.8352 -0.7958 -0.7958 -0.1475 -0.1475 0.1416 0.1416 0.1561 0.1561 0.2386 0.2386 0.2555 0.2555 0.6775 0.6775 1.4076 1.4076 1.4501 1.4501 1.9608 1.9608 2.1851 2.1851 4.7744 4.7744 4.7991 4.7991 4.9177 4.9177 4.9558 4.9558 5.0462 5.0462 5.5503 5.5503 5.6104 5.6104 6.3494 6.3494 6.3921 6.3921 6.7733 6.7733 9.6454 9.6454 13.2094 13.2094 15.1399 15.1399 k = 0.0000 0.0000 0.1752 ( 2708 PWs) bands (ev): -18.2578 -18.2578 -17.8044 -17.8044 -17.5714 -17.5714 -17.5213 -17.5213 -1.8009 -1.8009 -0.8058 -0.8058 -0.1303 -0.1303 0.1270 0.1270 0.1641 0.1641 0.2383 0.2383 0.2533 0.2533 0.6957 0.6957 1.3731 1.3731 1.4097 1.4097 1.9527 1.9527 2.1698 2.1698 4.7851 4.7851 4.8043 4.8043 4.9255 4.9255 4.9630 4.9630 5.0603 5.0603 5.5431 5.5431 5.6323 5.6323 6.3438 6.3438 6.3851 6.3851 6.7443 6.7443 9.7337 9.7337 13.0954 13.0954 15.2044 15.2044 k = 0.0000 0.0000 0.1850 ( 2712 PWs) bands (ev): -18.2463 -18.2463 -17.8192 -17.8192 -17.5693 -17.5693 -17.5211 -17.5211 -1.7652 -1.7652 -0.8176 -0.8176 -0.1134 -0.1134 0.1119 0.1119 0.1748 0.1748 0.2380 0.2380 0.2512 0.2512 0.7146 0.7146 1.3260 1.3260 1.3805 1.3805 1.9453 1.9453 2.1541 2.1541 4.7952 4.7952 4.8095 4.8095 4.9333 4.9333 4.9701 4.9701 5.0749 5.0749 5.5319 5.5319 5.6593 5.6593 6.3383 6.3383 6.3780 6.3780 6.7140 6.7140 9.8252 9.8252 12.9804 12.9804 15.2714 15.2714 k = 0.0000 0.0000 0.1947 ( 2716 PWs) bands (ev): -18.2342 -18.2342 -17.8343 -17.8343 -17.5672 -17.5672 -17.5212 -17.5212 -1.7283 -1.7283 -0.8312 -0.8312 -0.0973 -0.0973 0.0972 0.0972 0.1874 0.1874 0.2379 0.2379 0.2495 0.2495 0.7341 0.7341 1.2736 1.2736 1.3555 1.3555 1.9388 1.9388 2.1383 2.1383 4.8043 4.8043 4.8148 4.8148 4.9411 4.9411 4.9769 4.9769 5.0899 5.0899 5.5190 5.5190 5.6892 5.6892 6.3329 6.3329 6.3710 6.3710 6.6824 6.6824 9.9196 9.9196 12.8647 12.8647 15.3405 15.3405 k = 0.0000 0.0000 0.2045 ( 2718 PWs) bands (ev): -18.2217 -18.2217 -17.8497 -17.8497 -17.5651 -17.5651 -17.5215 -17.5215 -1.6903 -1.6903 -0.8469 -0.8469 -0.0822 -0.0822 0.0834 0.0834 0.2018 0.2018 0.2381 0.2381 0.2481 0.2481 0.7542 0.7542 1.2194 1.2194 1.3313 1.3313 1.9332 1.9332 2.1224 2.1224 4.8125 4.8125 4.8201 4.8201 4.9488 4.9488 4.9834 4.9834 5.1052 5.1052 5.5051 5.5051 5.7211 5.7211 6.3277 6.3277 6.3641 6.3641 6.6497 6.6497 10.0169 10.0169 12.7483 12.7483 15.4115 15.4115 k = 0.0000 0.0000 0.2142 ( 2710 PWs) bands (ev): -18.2088 -18.2088 -17.8653 -17.8653 -17.5628 -17.5628 -17.5220 -17.5220 -1.6514 -1.6514 -0.8648 -0.8648 -0.0685 -0.0685 0.0705 0.0705 0.2171 0.2171 0.2391 0.2391 0.2479 0.2479 0.7748 0.7748 1.1647 1.1647 1.3071 1.3071 1.9286 1.9286 2.1064 2.1064 4.8194 4.8194 4.8258 4.8258 4.9564 4.9564 4.9896 4.9896 5.1209 5.1209 5.4906 5.4906 5.7548 5.7548 6.3229 6.3229 6.3573 6.3573 6.6158 6.6158 10.1167 10.1167 12.6313 12.6313 15.4841 15.4841 k = 0.0000 0.0000 0.2239 ( 2708 PWs) bands (ev): -18.1954 -18.1954 -17.8811 -17.8811 -17.5606 -17.5606 -17.5227 -17.5227 -1.6115 -1.6115 -0.8849 -0.8849 -0.0562 -0.0562 0.0587 0.0587 0.2283 0.2283 0.2407 0.2407 0.2541 0.2541 0.7960 0.7960 1.1098 1.1098 1.2827 1.2827 1.9251 1.9251 2.0905 2.0905 4.8252 4.8252 4.8315 4.8315 4.9637 4.9637 4.9953 4.9953 5.1369 5.1369 5.4754 5.4754 5.7899 5.7899 6.3183 6.3183 6.3508 6.3508 6.5809 6.5809 10.2189 10.2189 12.5139 12.5139 15.5580 15.5580 k = 0.0000 0.0000 0.2337 ( 2710 PWs) bands (ev): -18.1816 -18.1816 -17.8971 -17.8971 -17.5583 -17.5583 -17.5236 -17.5236 -1.5709 -1.5709 -0.9072 -0.9072 -0.0457 -0.0457 0.0481 0.0481 0.2320 0.2320 0.2407 0.2407 0.2723 0.2723 0.8177 0.8177 1.0551 1.0551 1.2581 1.2581 1.9228 1.9228 2.0748 2.0748 4.8301 4.8301 4.8369 4.8369 4.9708 4.9708 5.0004 5.0004 5.1531 5.1531 5.4598 5.4598 5.8264 5.8264 6.3141 6.3141 6.3444 6.3444 6.5451 6.5451 10.3232 10.3232 12.3960 12.3960 15.6329 15.6329 k = 0.0000 0.0000 0.2434 ( 2702 PWs) bands (ev): -18.1675 -18.1675 -17.9132 -17.9132 -17.5560 -17.5560 -17.5246 -17.5246 -1.5298 -1.5298 -0.9318 -0.9318 -0.0367 -0.0367 0.0386 0.0386 0.2330 0.2330 0.2399 0.2399 0.2972 0.2972 0.8398 0.8398 1.0007 1.0007 1.2333 1.2333 1.9217 1.9217 2.0594 2.0594 4.8346 4.8346 4.8419 4.8419 4.9777 4.9777 5.0050 5.0050 5.1696 5.1696 5.4438 5.4438 5.8639 5.8639 6.3103 6.3103 6.3384 6.3384 6.5084 6.5084 10.4296 10.4296 12.2778 12.2778 15.7085 15.7085 k = 0.0000 0.0000 0.2531 ( 2702 PWs) bands (ev): -18.1530 -18.1530 -17.9295 -17.9295 -17.5537 -17.5537 -17.5259 -17.5259 -1.4882 -1.4882 -0.9587 -0.9587 -0.0292 -0.0292 0.0303 0.0303 0.2333 0.2333 0.2390 0.2390 0.3259 0.3259 0.8622 0.8622 0.9471 0.9471 1.2083 1.2083 1.9219 1.9219 2.0444 2.0444 4.8386 4.8386 4.8461 4.8461 4.9842 4.9842 5.0089 5.0089 5.1864 5.1864 5.4275 5.4275 5.9024 5.9024 6.3069 6.3069 6.3328 6.3328 6.4711 6.4711 10.5378 10.5378 12.1594 12.1594 15.7843 15.7843 k = 0.0000 0.0000 0.2629 ( 2706 PWs) bands (ev): -18.1382 -18.1382 -17.9458 -17.9458 -17.5514 -17.5514 -17.5273 -17.5273 -1.4463 -1.4463 -0.9876 -0.9876 -0.0231 -0.0231 0.0231 0.0231 0.2334 0.2334 0.2380 0.2380 0.3576 0.3576 0.8816 0.8816 0.8976 0.8976 1.1831 1.1831 1.9233 1.9233 2.0298 2.0298 4.8422 4.8422 4.8495 4.8495 4.9902 4.9902 5.0120 5.0120 5.2033 5.2033 5.4108 5.4108 5.9416 5.9416 6.3037 6.3037 6.3275 6.3275 6.4332 6.4332 10.6476 10.6476 12.0408 12.0408 15.8599 15.8599 k = 0.0000 0.0000 0.2726 ( 2698 PWs) bands (ev): -18.1231 -18.1231 -17.9622 -17.9622 -17.5491 -17.5491 -17.5288 -17.5288 -1.4043 -1.4043 -1.0186 -1.0186 -0.0181 -0.0181 0.0170 0.0170 0.2335 0.2335 0.2372 0.2372 0.3919 0.3919 0.8402 0.8402 0.9101 0.9101 1.1578 1.1578 1.9259 1.9259 2.0159 2.0159 4.8454 4.8454 4.8522 4.8522 4.9958 4.9958 5.0145 5.0145 5.2204 5.2204 5.3939 5.3939 5.9814 5.9814 6.3007 6.3007 6.3227 6.3227 6.3953 6.3953 10.7590 10.7590 11.9223 11.9223 15.9349 15.9349 k = 0.0000 0.0000 0.2823 ( 2694 PWs) bands (ev): -18.1077 -18.1077 -17.9787 -17.9787 -17.5468 -17.5468 -17.5304 -17.5304 -1.3624 -1.3624 -1.0516 -1.0516 -0.0140 -0.0140 0.0118 0.0118 0.2336 0.2336 0.2364 0.2364 0.4287 0.4287 0.7891 0.7891 0.9336 0.9336 1.1325 1.1325 1.9299 1.9299 2.0025 2.0025 4.8483 4.8483 4.8542 4.8542 5.0009 5.0009 5.0161 5.0161 5.2377 5.2377 5.3769 5.3769 6.0218 6.0218 6.2966 6.2966 6.3184 6.3184 6.3584 6.3584 10.8716 10.8716 11.8038 11.8038 16.0088 16.0088 k = 0.0000 0.0000 0.2921 ( 2690 PWs) bands (ev): -18.0921 -18.0921 -17.9951 -17.9951 -17.5446 -17.5446 -17.5322 -17.5322 -1.3207 -1.3207 -1.0862 -1.0862 -0.0106 -0.0106 0.0075 0.0075 0.2337 0.2337 0.2358 0.2358 0.4677 0.4677 0.7390 0.7390 0.9576 0.9576 1.1072 1.1072 1.9350 1.9350 1.9900 1.9900 4.8508 4.8508 4.8555 4.8555 5.0054 5.0054 5.0170 5.0170 5.2551 5.2551 5.3597 5.3597 6.0624 6.0624 6.2867 6.2867 6.3147 6.3147 6.3275 6.3275 10.9854 10.9854 11.6854 11.6854 16.0809 16.0809 k = 0.0000 0.0000 0.3018 ( 2686 PWs) bands (ev): -18.0763 -18.0763 -18.0115 -18.0115 -17.5423 -17.5423 -17.5340 -17.5340 -1.2794 -1.2794 -1.1224 -1.1224 -0.0076 -0.0076 0.0038 0.0038 0.2339 0.2339 0.2352 0.2352 0.5087 0.5087 0.6900 0.6900 0.9820 0.9820 1.0819 1.0819 1.9414 1.9414 1.9783 1.9783 4.8529 4.8529 4.8561 4.8561 5.0092 5.0092 5.0170 5.0170 5.2725 5.2725 5.3424 5.3424 6.1032 6.1032 6.2607 6.2607 6.3111 6.3111 6.3136 6.3136 11.1003 11.1003 11.5674 11.5674 16.1507 16.1507 k = 0.0000 0.0000 0.3115 ( 2694 PWs) bands (ev): -18.0603 -18.0603 -18.0279 -18.0279 -17.5402 -17.5402 -17.5360 -17.5360 -1.2388 -1.2388 -1.1601 -1.1601 -0.0049 -0.0049 0.0006 0.0006 0.2341 0.2341 0.2348 0.2348 0.5515 0.5515 0.6423 0.6423 1.0067 1.0067 1.0567 1.0567 1.9490 1.9490 1.9675 1.9675 4.8544 4.8544 4.8561 4.8561 5.0123 5.0123 5.0162 5.0162 5.2899 5.2899 5.3249 5.3249 6.1440 6.1440 6.2239 6.2239 6.3088 6.3088 6.3101 6.3101 11.2160 11.2160 11.4497 11.4497 16.2175 16.2175 k = 0.0000 0.0000 0.3213 ( 2696 PWs) bands (ev): -18.0442 -18.0442 -18.0442 -18.0442 -17.5380 -17.5380 -17.5380 -17.5380 -1.1989 -1.1989 -1.1989 -1.1989 -0.0022 -0.0022 -0.0022 -0.0022 0.2344 0.2344 0.2344 0.2344 0.5961 0.5961 0.5961 0.5961 1.0316 1.0316 1.0316 1.0316 1.9577 1.9577 1.9577 1.9577 4.8555 4.8555 4.8555 4.8555 5.0146 5.0146 5.0146 5.0146 5.3074 5.3074 5.3074 5.3074 6.1844 6.1844 6.1844 6.1844 6.3087 6.3087 6.3087 6.3087 11.3326 11.3326 11.3326 11.3326 16.2806 16.2806 k = 0.0000 0.0000 0.3213 ( 2696 PWs) bands (ev): -18.0442 -18.0442 -18.0442 -18.0442 -17.5380 -17.5380 -17.5380 -17.5380 -1.1989 -1.1989 -1.1989 -1.1989 -0.0022 -0.0022 -0.0022 -0.0022 0.2344 0.2344 0.2344 0.2344 0.5961 0.5961 0.5961 0.5961 1.0316 1.0316 1.0316 1.0316 1.9577 1.9577 1.9577 1.9577 4.8555 4.8555 4.8555 4.8555 5.0146 5.0146 5.0146 5.0146 5.3074 5.3074 5.3074 5.3074 6.1844 6.1844 6.1844 6.1844 6.3087 6.3087 6.3087 6.3087 11.3326 11.3326 11.3326 11.3326 16.2806 16.2806 k = 0.0096-0.0000 0.3213 ( 2694 PWs) bands (ev): -18.0440 -18.0440 -18.0439 -18.0439 -17.5381 -17.5381 -17.5380 -17.5380 -1.1985 -1.1985 -1.1984 -1.1984 -0.0032 -0.0032 -0.0030 -0.0030 0.2336 0.2336 0.2351 0.2351 0.5948 0.5948 0.5965 0.5965 1.0311 1.0311 1.0313 1.0313 1.9574 1.9574 1.9583 1.9583 4.8556 4.8556 4.8563 4.8563 5.0139 5.0139 5.0154 5.0154 5.3052 5.3052 5.3096 5.3096 6.1804 6.1804 6.1858 6.1858 6.3076 6.3076 6.3112 6.3112 11.3346 11.3346 11.3347 11.3347 16.2825 16.2825 k = 0.0192-0.0000 0.3213 ( 2698 PWs) bands (ev): -18.0433 -18.0433 -18.0433 -18.0433 -17.5382 -17.5382 -17.5380 -17.5380 -1.1971 -1.1971 -1.1968 -1.1968 -0.0060 -0.0060 -0.0055 -0.0055 0.2327 0.2327 0.2357 0.2357 0.5924 0.5924 0.5958 0.5958 1.0299 1.0299 1.0302 1.0302 1.9574 1.9574 1.9591 1.9591 4.8564 4.8564 4.8578 4.8578 5.0131 5.0131 5.0161 5.0161 5.3028 5.3028 5.3117 5.3117 6.1740 6.1740 6.1843 6.1843 6.3081 6.3081 6.3149 6.3149 11.3408 11.3408 11.3411 11.3411 16.2883 16.2883 k = 0.0288-0.0000 0.3213 ( 2698 PWs) bands (ev): -18.0423 -18.0423 -18.0422 -18.0422 -17.5383 -17.5383 -17.5381 -17.5381 -1.1947 -1.1947 -1.1942 -1.1942 -0.0105 -0.0105 -0.0098 -0.0098 0.2318 0.2318 0.2361 0.2361 0.5891 0.5891 0.5941 0.5941 1.0281 1.0281 1.0285 1.0285 1.9577 1.9577 1.9602 1.9602 4.8579 4.8579 4.8601 4.8601 5.0123 5.0123 5.0168 5.0168 5.3003 5.3003 5.3137 5.3137 6.1655 6.1655 6.1801 6.1801 6.3103 6.3103 6.3194 6.3194 11.3512 11.3512 11.3516 11.3516 16.2980 16.2980 k = 0.0385-0.0000 0.3213 ( 2702 PWs) bands (ev): -18.0408 -18.0408 -18.0407 -18.0407 -17.5384 -17.5384 -17.5381 -17.5381 -1.1914 -1.1914 -1.1907 -1.1907 -0.0166 -0.0166 -0.0157 -0.0157 0.2305 0.2305 0.2363 0.2363 0.5846 0.5846 0.5912 0.5912 1.0259 1.0259 1.0265 1.0265 1.9581 1.9581 1.9614 1.9614 4.8601 4.8601 4.8630 4.8630 5.0115 5.0115 5.0174 5.0174 5.2978 5.2978 5.3156 5.3156 6.1552 6.1552 6.1730 6.1730 6.3140 6.3140 6.3248 6.3248 11.3657 11.3657 11.3663 11.3663 16.3116 16.3116 k = 0.0481-0.0000 0.3213 ( 2702 PWs) bands (ev): -18.0389 -18.0389 -18.0388 -18.0388 -17.5386 -17.5386 -17.5382 -17.5382 -1.1870 -1.1870 -1.1861 -1.1861 -0.0243 -0.0243 -0.0230 -0.0230 0.2289 0.2289 0.2359 0.2359 0.5789 0.5789 0.5870 0.5870 1.0235 1.0235 1.0242 1.0242 1.9587 1.9587 1.9627 1.9627 4.8629 4.8629 4.8667 4.8667 5.0107 5.0107 5.0181 5.0181 5.2952 5.2952 5.3175 5.3175 6.1431 6.1431 6.1636 6.1636 6.3191 6.3191 6.3307 6.3307 11.3844 11.3844 11.3850 11.3850 16.3289 16.3289 k = 0.0577-0.0000 0.3213 ( 2702 PWs) bands (ev): -18.0366 -18.0366 -18.0365 -18.0365 -17.5388 -17.5388 -17.5384 -17.5384 -1.1818 -1.1818 -1.1807 -1.1807 -0.0334 -0.0334 -0.0317 -0.0317 0.2268 0.2268 0.2349 0.2349 0.5720 0.5720 0.5815 0.5815 1.0213 1.0213 1.0220 1.0220 1.9593 1.9593 1.9640 1.9640 4.8663 4.8663 4.8710 4.8710 5.0100 5.0100 5.0188 5.0188 5.2925 5.2925 5.3193 5.3193 6.1296 6.1296 6.1520 6.1520 6.3253 6.3253 6.3371 6.3371 11.4070 11.4070 11.4077 11.4077 16.3500 16.3500 k = 0.0673-0.0000 0.3213 ( 2702 PWs) bands (ev): -18.0339 -18.0339 -18.0337 -18.0337 -17.5390 -17.5390 -17.5385 -17.5385 -1.1755 -1.1755 -1.1743 -1.1743 -0.0437 -0.0437 -0.0417 -0.0417 0.2240 0.2240 0.2331 0.2331 0.5639 0.5639 0.5747 0.5747 1.0195 1.0195 1.0204 1.0204 1.9599 1.9599 1.9652 1.9652 4.8700 4.8700 4.8757 4.8757 5.0093 5.0093 5.0195 5.0195 5.2898 5.2898 5.3210 5.3210 6.1147 6.1147 6.1384 6.1384 6.3326 6.3326 6.3440 6.3440 11.4335 11.4335 11.4343 11.4343 16.3746 16.3746 k = 0.0769-0.0000 0.3213 ( 2706 PWs) bands (ev): -18.0307 -18.0307 -18.0306 -18.0306 -17.5393 -17.5393 -17.5388 -17.5388 -1.1684 -1.1684 -1.1670 -1.1670 -0.0553 -0.0553 -0.0529 -0.0529 0.2203 0.2203 0.2302 0.2302 0.5545 0.5545 0.5664 0.5664 1.0185 1.0185 1.0194 1.0194 1.9604 1.9604 1.9662 1.9662 4.8740 4.8740 4.8809 4.8809 5.0087 5.0087 5.0202 5.0202 5.2871 5.2871 5.3227 5.3227 6.0984 6.0984 6.1231 6.1231 6.3406 6.3406 6.3514 6.3514 11.4639 11.4639 11.4648 11.4648 16.4027 16.4027 k = 0.0865-0.0000 0.3213 ( 2710 PWs) bands (ev): -18.0272 -18.0272 -18.0271 -18.0271 -17.5396 -17.5396 -17.5390 -17.5390 -1.1605 -1.1605 -1.1589 -1.1589 -0.0680 -0.0680 -0.0652 -0.0652 0.2155 0.2155 0.2260 0.2260 0.5441 0.5441 0.5568 0.5568 1.0184 1.0184 1.0194 1.0194 1.9607 1.9607 1.9670 1.9670 4.8781 4.8781 4.8862 4.8862 5.0084 5.0084 5.0211 5.0211 5.2843 5.2843 5.3244 5.3244 6.0810 6.0810 6.1063 6.1063 6.3494 6.3494 6.3593 6.3593 11.4980 11.4980 11.4990 11.4990 16.4340 16.4340 k = 0.0962-0.0000 0.3213 ( 2710 PWs) bands (ev): -18.0233 -18.0233 -18.0231 -18.0231 -17.5400 -17.5400 -17.5393 -17.5393 -1.1516 -1.1516 -1.1499 -1.1499 -0.0817 -0.0817 -0.0785 -0.0785 0.2095 0.2095 0.2205 0.2205 0.5327 0.5327 0.5460 0.5460 1.0194 1.0194 1.0205 1.0205 1.9607 1.9607 1.9673 1.9673 4.8822 4.8822 4.8917 4.8917 5.0082 5.0082 5.0220 5.0220 5.2817 5.2817 5.3261 5.3261 6.0625 6.0625 6.0882 6.0882 6.3589 6.3589 6.3677 6.3677 11.5358 11.5358 11.5368 11.5368 16.4685 16.4685 k = 0.1058-0.0000 0.3213 ( 2714 PWs) bands (ev): -18.0190 -18.0190 -18.0188 -18.0188 -17.5404 -17.5404 -17.5396 -17.5396 -1.1420 -1.1420 -1.1401 -1.1401 -0.0965 -0.0965 -0.0928 -0.0928 0.2021 0.2021 0.2133 0.2133 0.5208 0.5208 0.5344 0.5344 1.0217 1.0217 1.0229 1.0229 1.9602 1.9602 1.9672 1.9672 4.8861 4.8861 4.8972 4.8972 5.0083 5.0083 5.0232 5.0232 5.2791 5.2791 5.3279 5.3279 6.0430 6.0430 6.0689 6.0689 6.3690 6.3690 6.3765 6.3765 11.5770 11.5770 11.5781 11.5781 16.5059 16.5059 k = 0.1154-0.0000 0.3213 ( 2706 PWs) bands (ev): -18.0144 -18.0144 -18.0142 -18.0142 -17.5408 -17.5408 -17.5400 -17.5400 -1.1316 -1.1316 -1.1295 -1.1295 -0.1122 -0.1122 -0.1081 -0.1081 0.1932 0.1932 0.2044 0.2044 0.5085 0.5085 0.5221 0.5221 1.0252 1.0252 1.0265 1.0265 1.9594 1.9594 1.9666 1.9666 4.8896 4.8896 4.9024 4.9024 5.0089 5.0089 5.0246 5.0246 5.2766 5.2766 5.3297 5.3297 6.0227 6.0227 6.0487 6.0487 6.3797 6.3797 6.3859 6.3859 11.6216 11.6216 11.6227 11.6227 16.5459 16.5459 k = 0.1250-0.0000 0.3213 ( 2700 PWs) bands (ev): -18.0094 -18.0094 -18.0091 -18.0091 -17.5413 -17.5413 -17.5405 -17.5405 -1.1205 -1.1205 -1.1182 -1.1182 -0.1290 -0.1290 -0.1245 -0.1245 0.1829 0.1829 0.1937 0.1937 0.4963 0.4963 0.5095 0.5095 1.0300 1.0300 1.0315 1.0315 1.9580 1.9580 1.9654 1.9654 4.8924 4.8924 4.9072 4.9072 5.0099 5.0099 5.0264 5.0264 5.2743 5.2743 5.3316 5.3316 6.0017 6.0017 6.0276 6.0276 6.3909 6.3909 6.3958 6.3958 11.6695 11.6695 11.6706 11.6706 16.5883 16.5883 k = 0.1346-0.0000 0.3213 ( 2700 PWs) bands (ev): -18.0040 -18.0040 -18.0037 -18.0037 -17.5419 -17.5419 -17.5410 -17.5410 -1.1087 -1.1087 -1.1062 -1.1062 -0.1468 -0.1468 -0.1419 -0.1419 0.1710 0.1710 0.1813 0.1813 0.4843 0.4843 0.4969 0.4969 1.0360 1.0360 1.0376 1.0376 1.9561 1.9561 1.9636 1.9636 4.8945 4.8945 4.9114 4.9114 5.0115 5.0115 5.0285 5.0285 5.2722 5.2722 5.3335 5.3335 5.9801 5.9801 6.0058 6.0058 6.4026 6.4026 6.4061 6.4061 11.7205 11.7205 11.7216 11.7216 16.6328 16.6328 k = 0.1442-0.0000 0.3213 ( 2708 PWs) bands (ev): -17.9983 -17.9983 -17.9980 -17.9980 -17.5425 -17.5425 -17.5415 -17.5415 -1.0963 -1.0963 -1.0936 -1.0936 -0.1658 -0.1658 -0.1606 -0.1606 0.1577 0.1577 0.1673 0.1673 0.4729 0.4729 0.4846 0.4846 1.0432 1.0432 1.0449 1.0449 1.9535 1.9535 1.9611 1.9611 4.8957 4.8957 4.9148 4.9148 5.0136 5.0136 5.0311 5.0311 5.2702 5.2702 5.3355 5.3355 5.9580 5.9580 5.9834 5.9834 6.4147 6.4147 6.4168 6.4168 11.7745 11.7745 11.7756 11.7756 16.6789 16.6789 k = 0.1538-0.0000 0.3213 ( 2712 PWs) bands (ev): -17.9923 -17.9923 -17.9920 -17.9920 -17.5432 -17.5432 -17.5422 -17.5422 -1.0833 -1.0833 -1.0805 -1.0805 -0.1860 -0.1860 -0.1805 -0.1805 0.1433 0.1433 0.1520 0.1520 0.4621 0.4621 0.4727 0.4727 1.0513 1.0513 1.0532 1.0532 1.9503 1.9503 1.9578 1.9578 4.8959 4.8959 4.9173 4.9173 5.0164 5.0164 5.0342 5.0342 5.2685 5.2685 5.3376 5.3376 5.9356 5.9356 5.9606 5.9606 6.4272 6.4272 6.4280 6.4280 11.8313 11.8313 11.8324 11.8324 16.7264 16.7264 k = 0.1635-0.0000 0.3213 ( 2714 PWs) bands (ev): -17.9860 -17.9860 -17.9856 -17.9856 -17.5439 -17.5439 -17.5429 -17.5429 -1.0699 -1.0699 -1.0668 -1.0668 -0.2076 -0.2076 -0.2018 -0.2018 0.1281 0.1281 0.1359 0.1359 0.4521 0.4521 0.4614 0.4614 1.0604 1.0604 1.0624 1.0624 1.9464 1.9464 1.9539 1.9539 4.8951 4.8951 4.9188 4.9188 5.0197 5.0197 5.0379 5.0379 5.2670 5.2670 5.3398 5.3398 5.9130 5.9130 5.9376 5.9376 6.4395 6.4395 6.4401 6.4401 11.8909 11.8909 11.8919 11.8919 16.7747 16.7747 k = 0.1731-0.0000 0.3213 ( 2706 PWs) bands (ev): -17.9794 -17.9794 -17.9790 -17.9790 -17.5448 -17.5448 -17.5437 -17.5437 -1.0560 -1.0560 -1.0528 -1.0528 -0.2305 -0.2305 -0.2246 -0.2246 0.1125 0.1125 0.1193 0.1193 0.4427 0.4427 0.4507 0.4507 1.0702 1.0702 1.0724 1.0724 1.9419 1.9419 1.9492 1.9492 4.8933 4.8933 4.9192 4.9192 5.0236 5.0236 5.0422 5.0422 5.2659 5.2659 5.3421 5.3421 5.8904 5.8904 5.9145 5.9145 6.4515 6.4515 6.4534 6.4534 11.9530 11.9530 11.9540 11.9540 16.8232 16.8232 k = 0.1827-0.0000 0.3213 ( 2714 PWs) bands (ev): -17.9725 -17.9725 -17.9721 -17.9721 -17.5457 -17.5457 -17.5446 -17.5446 -1.0418 -1.0418 -1.0384 -1.0384 -0.2550 -0.2550 -0.2490 -0.2490 0.0969 0.0969 0.1028 0.1028 0.4340 0.4340 0.4405 0.4405 1.0808 1.0808 1.0830 1.0830 1.9366 1.9366 1.9438 1.9438 4.8905 4.8905 4.9184 4.9184 5.0278 5.0278 5.0469 5.0469 5.2650 5.2650 5.3445 5.3445 5.8679 5.8679 5.8913 5.8913 6.4638 6.4638 6.4669 6.4669 12.0176 12.0176 12.0185 12.0185 16.8713 16.8713 k = 0.1923-0.0000 0.3213 ( 2702 PWs) bands (ev): -17.9654 -17.9654 -17.9649 -17.9649 -17.5467 -17.5467 -17.5455 -17.5455 -1.0274 -1.0274 -1.0237 -1.0237 -0.2808 -0.2808 -0.2750 -0.2750 0.0817 0.0817 0.0867 0.0867 0.4258 0.4258 0.4309 0.4309 1.0919 1.0919 1.0943 1.0943 1.9307 1.9307 1.9377 1.9377 4.8869 4.8869 4.9167 4.9167 5.0323 5.0323 5.0521 5.0521 5.2645 5.2645 5.3471 5.3471 5.8456 5.8456 5.8682 5.8682 6.4764 6.4764 6.4807 6.4807 12.0846 12.0846 12.0853 12.0853 16.9181 16.9181 k = 0.2019-0.0000 0.3213 ( 2710 PWs) bands (ev): -17.9580 -17.9580 -17.9575 -17.9575 -17.5478 -17.5478 -17.5466 -17.5466 -1.0128 -1.0128 -1.0089 -1.0089 -0.3082 -0.3082 -0.3024 -0.3024 0.0672 0.0672 0.0714 0.0714 0.4181 0.4181 0.4216 0.4216 1.1036 1.1036 1.1059 1.1059 1.9241 1.9241 1.9308 1.9308 4.8823 4.8823 4.9139 4.9139 5.0369 5.0369 5.0574 5.0574 5.2643 5.2643 5.3498 5.3498 5.8236 5.8236 5.8453 5.8453 6.4892 6.4892 6.4946 6.4946 12.1537 12.1537 12.1543 12.1543 16.9628 16.9628 k = 0.2115-0.0000 0.3213 ( 2710 PWs) bands (ev): -17.9504 -17.9504 -17.9498 -17.9498 -17.5490 -17.5490 -17.5477 -17.5477 -0.9982 -0.9982 -0.9941 -0.9941 -0.3368 -0.3368 -0.3313 -0.3313 0.0537 0.0537 0.0573 0.0573 0.4106 0.4106 0.4128 0.4128 1.1156 1.1156 1.1180 1.1180 1.9169 1.9169 1.9232 1.9232 4.8771 4.8771 4.9102 4.9102 5.0415 5.0415 5.0630 5.0630 5.2645 5.2645 5.3526 5.3526 5.8020 5.8020 5.8228 5.8228 6.5022 6.5022 6.5088 6.5088 12.2249 12.2249 12.2254 12.2254 17.0041 17.0041 k = 0.2212-0.0000 0.3213 ( 2702 PWs) bands (ev): -17.9425 -17.9425 -17.9420 -17.9420 -17.5502 -17.5502 -17.5490 -17.5490 -0.9837 -0.9837 -0.9793 -0.9793 -0.3665 -0.3665 -0.3613 -0.3613 0.0414 0.0414 0.0445 0.0445 0.4033 0.4033 0.4041 0.4041 1.1279 1.1279 1.1303 1.1303 1.9090 1.9090 1.9149 1.9149 4.8713 4.8713 4.9057 4.9057 5.0461 5.0461 5.0686 5.0686 5.2650 5.2650 5.3555 5.3555 5.7810 5.7810 5.8007 5.8007 6.5154 6.5154 6.5230 6.5230 12.2981 12.2981 12.2984 12.2984 17.0408 17.0408 k = 0.2308-0.0000 0.3213 ( 2706 PWs) bands (ev): -17.9346 -17.9346 -17.9339 -17.9339 -17.5516 -17.5516 -17.5504 -17.5504 -0.9695 -0.9695 -0.9649 -0.9649 -0.3969 -0.3969 -0.3922 -0.3922 0.0304 0.0304 0.0331 0.0331 0.3957 0.3957 0.3962 0.3962 1.1405 1.1405 1.1429 1.1429 1.9005 1.9005 1.9060 1.9060 4.8649 4.8649 4.9004 4.9004 5.0505 5.0505 5.0742 5.0742 5.2659 5.2659 5.3586 5.3586 5.7606 5.7606 5.7790 5.7790 6.5286 6.5286 6.5373 6.5373 12.3731 12.3731 12.3733 12.3733 17.0714 17.0714 k = 0.2404-0.0000 0.3213 ( 2706 PWs) bands (ev): -17.9264 -17.9264 -17.9257 -17.9257 -17.5531 -17.5531 -17.5519 -17.5519 -0.9557 -0.9557 -0.9508 -0.9508 -0.4279 -0.4279 -0.4236 -0.4236 0.0208 0.0208 0.0231 0.0231 0.3873 0.3873 0.3891 0.3891 1.1533 1.1533 1.1556 1.1556 1.8914 1.8914 1.8965 1.8965 4.8580 4.8580 4.8945 4.8945 5.0547 5.0547 5.0797 5.0797 5.2671 5.2671 5.3617 5.3617 5.7409 5.7409 5.7580 5.7580 6.5419 6.5419 6.5516 6.5516 12.4499 12.4499 12.4499 12.4499 17.0943 17.0943 k = 0.2500-0.0000 0.3213 ( 2706 PWs) bands (ev): -17.9181 -17.9181 -17.9174 -17.9174 -17.5548 -17.5548 -17.5535 -17.5535 -0.9427 -0.9427 -0.9375 -0.9375 -0.4588 -0.4588 -0.4551 -0.4551 0.0126 0.0126 0.0145 0.0145 0.3790 0.3790 0.3821 0.3821 1.1662 1.1662 1.1684 1.1684 1.8818 1.8818 1.8863 1.8863 4.8506 4.8506 4.8880 4.8880 5.0586 5.0586 5.0850 5.0850 5.2685 5.2685 5.3649 5.3649 5.7220 5.7220 5.7376 5.7376 6.5552 6.5552 6.5659 6.5659 12.5281 12.5281 12.5282 12.5282 17.1076 17.1076 k = 0.2596-0.0000 0.3213 ( 2706 PWs) bands (ev): -17.9096 -17.9096 -17.9089 -17.9089 -17.5565 -17.5565 -17.5552 -17.5552 -0.9307 -0.9307 -0.9251 -0.9251 -0.4892 -0.4892 -0.4861 -0.4861 0.0057 0.0057 0.0073 0.0073 0.3707 0.3707 0.3751 0.3751 1.1791 1.1791 1.1812 1.1812 1.8716 1.8716 1.8756 1.8756 4.8430 4.8430 4.8811 4.8811 5.0621 5.0621 5.0901 5.0901 5.2702 5.2702 5.3682 5.3682 5.7039 5.7039 5.7179 5.7179 6.5685 6.5685 6.5800 6.5800 12.6078 12.6078 12.6082 12.6082 17.1097 17.1097 k = 0.2692-0.0000 0.3213 ( 2710 PWs) bands (ev): -17.9011 -17.9011 -17.9003 -17.9003 -17.5584 -17.5584 -17.5571 -17.5571 -0.9201 -0.9201 -0.9141 -0.9141 -0.5185 -0.5185 -0.5161 -0.5161 0.0000 0.0000 0.0012 0.0012 0.3624 0.3624 0.3681 0.3681 1.1920 1.1920 1.1940 1.1940 1.8610 1.8610 1.8644 1.8644 4.8350 4.8350 4.8737 4.8737 5.0653 5.0653 5.0949 5.0949 5.2722 5.2722 5.3715 5.3715 5.6867 5.6867 5.6990 5.6990 6.5816 6.5816 6.5940 6.5940 12.6889 12.6889 12.6895 12.6895 17.0995 17.0995 k = 0.2788-0.0000 0.3213 ( 2710 PWs) bands (ev): -17.8924 -17.8924 -17.8916 -17.8916 -17.5604 -17.5604 -17.5591 -17.5591 -0.9114 -0.9114 -0.9049 -0.9049 -0.5461 -0.5461 -0.5443 -0.5443 -0.0045 -0.0045 -0.0037 -0.0037 0.3542 0.3542 0.3611 0.3611 1.2049 1.2049 1.2067 1.2067 1.8500 1.8500 1.8528 1.8528 4.8268 4.8268 4.8660 4.8660 5.0681 5.0681 5.0995 5.0995 5.2744 5.2744 5.3749 5.3749 5.6705 5.6705 5.6810 5.6810 6.5946 6.5946 6.6078 6.6078 12.7714 12.7714 12.7722 12.7722 17.0761 17.0761 k = 0.2885-0.0000 0.3213 ( 2704 PWs) bands (ev): -17.8837 -17.8837 -17.8828 -17.8828 -17.5625 -17.5625 -17.5612 -17.5612 -0.9052 -0.9052 -0.8983 -0.8983 -0.5711 -0.5711 -0.5700 -0.5700 -0.0081 -0.0081 -0.0077 -0.0077 0.3461 0.3461 0.3544 0.3544 1.2177 1.2177 1.2193 1.2193 1.8386 1.8386 1.8408 1.8408 4.8185 4.8185 4.8581 4.8581 5.0705 5.0705 5.1037 5.1037 5.2768 5.2768 5.3783 5.3783 5.6553 5.6553 5.6637 5.6637 6.6075 6.6075 6.6215 6.6215 12.8552 12.8552 12.8562 12.8562 17.0393 17.0393 k = 0.2981-0.0000 0.3213 ( 2712 PWs) bands (ev): -17.8749 -17.8749 -17.8740 -17.8740 -17.5648 -17.5648 -17.5635 -17.5635 -0.9022 -0.9022 -0.8948 -0.8948 -0.5928 -0.5928 -0.5922 -0.5922 -0.0110 -0.0110 -0.0109 -0.0109 0.3381 0.3381 0.3477 0.3477 1.2303 1.2303 1.2317 1.2317 1.8270 1.8270 1.8284 1.8284 4.8100 4.8100 4.8500 4.8500 5.0724 5.0724 5.1076 5.1076 5.2793 5.2793 5.3817 5.3817 5.6410 5.6410 5.6474 5.6474 6.6200 6.6200 6.6347 6.6347 12.9401 12.9401 12.9414 12.9414 16.9899 16.9899 k = 0.3077-0.0000 0.3213 ( 2708 PWs) bands (ev): -17.8661 -17.8661 -17.8651 -17.8651 -17.5672 -17.5672 -17.5659 -17.5659 -0.9030 -0.9030 -0.8953 -0.8953 -0.6101 -0.6101 -0.6101 -0.6101 -0.0136 -0.0136 -0.0130 -0.0130 0.3304 0.3304 0.3413 0.3413 1.2428 1.2428 1.2439 1.2439 1.8151 1.8151 1.8158 1.8158 4.8014 4.8014 4.8418 4.8418 5.0740 5.0740 5.1111 5.1111 5.2820 5.2820 5.3851 5.3851 5.6277 5.6277 5.6320 5.6320 6.6323 6.6323 6.6477 6.6477 13.0261 13.0261 13.0277 13.0277 16.9290 16.9290 k = 0.3173-0.0000 0.3213 ( 2702 PWs) bands (ev): -17.8574 -17.8574 -17.8562 -17.8562 -17.5697 -17.5697 -17.5684 -17.5684 -0.9081 -0.9081 -0.9002 -0.9002 -0.6229 -0.6229 -0.6226 -0.6226 -0.0159 -0.0159 -0.0147 -0.0147 0.3230 0.3230 0.3354 0.3354 1.2550 1.2550 1.2558 1.2558 1.8029 1.8029 1.8030 1.8030 4.7928 4.7928 4.8334 4.8334 5.0752 5.0752 5.1144 5.1144 5.2848 5.2848 5.3886 5.3886 5.6155 5.6155 5.6175 5.6175 6.6443 6.6443 6.6603 6.6603 13.1132 13.1132 13.1151 13.1151 16.8581 16.8581 k = 0.3269-0.0000 0.3213 ( 2698 PWs) bands (ev): -17.8486 -17.8486 -17.8474 -17.8474 -17.5723 -17.5723 -17.5711 -17.5711 -0.9175 -0.9175 -0.9096 -0.9096 -0.6306 -0.6306 -0.6302 -0.6302 -0.0180 -0.0180 -0.0161 -0.0161 0.3160 0.3160 0.3298 0.3298 1.2669 1.2669 1.2675 1.2675 1.7899 1.7899 1.7908 1.7908 4.7843 4.7843 4.8251 4.8251 5.0760 5.0760 5.1172 5.1172 5.2876 5.2876 5.3920 5.3920 5.6040 5.6040 5.6042 5.6042 6.6559 6.6559 6.6726 6.6726 13.2013 13.2013 13.2034 13.2034 16.7787 16.7787 k = 0.3365-0.0000 0.3213 ( 2698 PWs) bands (ev): -17.8399 -17.8399 -17.8386 -17.8386 -17.5751 -17.5751 -17.5739 -17.5739 -0.9307 -0.9307 -0.9231 -0.9231 -0.6335 -0.6335 -0.6332 -0.6332 -0.0201 -0.0201 -0.0175 -0.0175 0.3096 0.3096 0.3249 0.3249 1.2785 1.2785 1.2787 1.2787 1.7769 1.7769 1.7786 1.7786 4.7759 4.7759 4.8169 4.8169 5.0765 5.0765 5.1198 5.1198 5.2905 5.2905 5.3953 5.3953 5.5913 5.5913 5.5939 5.5939 6.6672 6.6672 6.6844 6.6844 13.2904 13.2904 13.2927 13.2927 16.6924 16.6924 k = 0.3462-0.0000 0.3213 ( 2694 PWs) bands (ev): -17.8313 -17.8313 -17.8299 -17.8299 -17.5781 -17.5781 -17.5769 -17.5769 -0.9470 -0.9470 -0.9397 -0.9397 -0.6323 -0.6323 -0.6322 -0.6322 -0.0223 -0.0223 -0.0189 -0.0189 0.3039 0.3039 0.3206 0.3206 1.2895 1.2895 1.2898 1.2898 1.7638 1.7638 1.7665 1.7665 4.7676 4.7676 4.8087 4.8087 5.0766 5.0766 5.1220 5.1220 5.2933 5.2933 5.3986 5.3986 5.5796 5.5796 5.5845 5.5845 6.6780 6.6780 6.6957 6.6957 13.3803 13.3803 13.3829 13.3829 16.6006 16.6006 k = 0.3558-0.0000 0.3213 ( 2690 PWs) bands (ev): -17.8227 -17.8227 -17.8213 -17.8213 -17.5811 -17.5811 -17.5800 -17.5800 -0.9654 -0.9654 -0.9584 -0.9584 -0.6282 -0.6282 -0.6280 -0.6280 -0.0249 -0.0249 -0.0206 -0.0206 0.2989 0.2989 0.3171 0.3171 1.2999 1.2999 1.3006 1.3006 1.7509 1.7509 1.7545 1.7545 4.7595 4.7595 4.8008 4.8008 5.0765 5.0765 5.1240 5.1240 5.2961 5.2961 5.4018 5.4018 5.5688 5.5688 5.5760 5.5760 6.6883 6.6883 6.7065 6.7065 13.4710 13.4710 13.4739 13.4739 16.5046 16.5046 k = 0.3654-0.0000 0.3213 ( 2690 PWs) bands (ev): -17.8144 -17.8144 -17.8129 -17.8129 -17.5843 -17.5843 -17.5832 -17.5832 -0.9849 -0.9849 -0.9783 -0.9783 -0.6219 -0.6219 -0.6214 -0.6214 -0.0279 -0.0279 -0.0227 -0.0227 0.2948 0.2948 0.3145 0.3145 1.3098 1.3098 1.3109 1.3109 1.7381 1.7381 1.7427 1.7427 4.7517 4.7517 4.7931 4.7931 5.0761 5.0761 5.1257 5.1257 5.2989 5.2989 5.4048 5.4048 5.5589 5.5589 5.5683 5.5683 6.6981 6.6981 6.7168 6.7168 13.5626 13.5626 13.5658 13.5658 16.4043 16.4043 k = 0.3750-0.0000 0.3213 ( 2686 PWs) bands (ev): -17.8061 -17.8061 -17.8046 -17.8046 -17.5875 -17.5875 -17.5865 -17.5865 -1.0049 -1.0049 -0.9986 -0.9986 -0.6141 -0.6141 -0.6132 -0.6132 -0.0314 -0.0314 -0.0254 -0.0254 0.2916 0.2916 0.3127 0.3127 1.3191 1.3191 1.3208 1.3208 1.7257 1.7257 1.7312 1.7312 4.7442 4.7442 4.7856 4.7856 5.0755 5.0755 5.1272 5.1272 5.3015 5.3015 5.4078 5.4078 5.5499 5.5499 5.5614 5.5614 6.7074 6.7074 6.7265 6.7265 13.6550 13.6550 13.6584 13.6584 16.3008 16.3008 k = 0.3846-0.0000 0.3213 ( 2686 PWs) bands (ev): -17.7981 -17.7981 -17.7964 -17.7964 -17.5909 -17.5909 -17.5899 -17.5899 -1.0248 -1.0248 -1.0188 -1.0188 -0.6053 -0.6053 -0.6041 -0.6041 -0.0354 -0.0354 -0.0286 -0.0286 0.2893 0.2893 0.3118 0.3118 1.3278 1.3278 1.3301 1.3301 1.7136 1.7136 1.7201 1.7201 4.7370 4.7370 4.7785 4.7785 5.0747 5.0747 5.1284 5.1284 5.3040 5.3040 5.4106 5.4106 5.5417 5.5417 5.5553 5.5553 6.7161 6.7161 6.7356 6.7356 13.7482 13.7482 13.7518 13.7518 16.1958 16.1958 k = 0.3942-0.0000 0.3213 ( 2684 PWs) bands (ev): -17.7903 -17.7903 -17.7886 -17.7886 -17.5943 -17.5943 -17.5934 -17.5934 -1.0441 -1.0441 -1.0384 -1.0384 -0.5959 -0.5959 -0.5943 -0.5943 -0.0400 -0.0400 -0.0325 -0.0325 0.2879 0.2879 0.3116 0.3116 1.3360 1.3360 1.3388 1.3388 1.7020 1.7020 1.7095 1.7095 4.7303 4.7303 4.7718 4.7718 5.0738 5.0738 5.1294 5.1294 5.3063 5.3063 5.4132 5.4132 5.5344 5.5344 5.5500 5.5500 6.7242 6.7242 6.7441 6.7441 13.8420 13.8420 13.8459 13.8459 16.0898 16.0898 k = 0.4038-0.0000 0.3213 ( 2688 PWs) bands (ev): -17.7829 -17.7829 -17.7810 -17.7810 -17.5977 -17.5977 -17.5969 -17.5969 -1.0624 -1.0624 -1.0570 -1.0570 -0.5862 -0.5862 -0.5843 -0.5843 -0.0451 -0.0451 -0.0368 -0.0368 0.2874 0.2874 0.3122 0.3122 1.3435 1.3435 1.3469 1.3469 1.6909 1.6909 1.6995 1.6995 4.7239 4.7239 4.7655 4.7655 5.0729 5.0729 5.1302 5.1302 5.3085 5.3085 5.4156 5.4156 5.5278 5.5278 5.5452 5.5452 6.7316 6.7316 6.7519 6.7519 13.9366 13.9366 13.9407 13.9407 15.9833 15.9833 k = 0.4135-0.0000 0.3213 ( 2676 PWs) bands (ev): -17.7757 -17.7757 -17.7737 -17.7737 -17.6011 -17.6011 -17.6004 -17.6004 -1.0796 -1.0796 -1.0744 -1.0744 -0.5766 -0.5766 -0.5744 -0.5744 -0.0505 -0.0505 -0.0416 -0.0416 0.2876 0.2876 0.3134 0.3134 1.3503 1.3503 1.3543 1.3543 1.6806 1.6806 1.6902 1.6902 4.7181 4.7181 4.7597 4.7597 5.0719 5.0719 5.1309 5.1309 5.3106 5.3106 5.4180 5.4180 5.5221 5.5221 5.5411 5.5411 6.7385 6.7385 6.7590 6.7590 14.0319 14.0319 14.0362 14.0362 15.8766 15.8766 k = 0.4231-0.0000 0.3213 ( 2680 PWs) bands (ev): -17.7690 -17.7690 -17.7669 -17.7669 -17.6045 -17.6045 -17.6039 -17.6039 -1.0954 -1.0954 -1.0904 -1.0904 -0.5672 -0.5672 -0.5647 -0.5647 -0.0562 -0.0562 -0.0468 -0.0468 0.2884 0.2884 0.3151 0.3151 1.3564 1.3564 1.3610 1.3610 1.6710 1.6710 1.6816 1.6816 4.7127 4.7127 4.7543 4.7543 5.0709 5.0709 5.1314 5.1314 5.3124 5.3124 5.4200 5.4200 5.5170 5.5170 5.5376 5.5376 6.7446 6.7446 6.7654 6.7654 14.1279 14.1279 14.1323 14.1323 15.7699 15.7699 k = 0.4327-0.0000 0.3213 ( 2684 PWs) bands (ev): -17.7627 -17.7627 -17.7605 -17.7605 -17.6078 -17.6078 -17.6073 -17.6073 -1.1096 -1.1096 -1.1048 -1.1048 -0.5584 -0.5584 -0.5556 -0.5556 -0.0619 -0.0619 -0.0520 -0.0520 0.2896 0.2896 0.3171 0.3171 1.3618 1.3618 1.3671 1.3671 1.6623 1.6623 1.6739 1.6739 4.7078 4.7078 4.7495 4.7495 5.0699 5.0699 5.1318 5.1318 5.3140 5.3140 5.4219 5.4219 5.5126 5.5126 5.5345 5.5345 6.7501 6.7501 6.7712 6.7712 14.2245 14.2245 14.2291 14.2291 15.6634 15.6634 k = 0.4423-0.0000 0.3213 ( 2682 PWs) bands (ev): -17.7569 -17.7569 -17.7546 -17.7546 -17.6109 -17.6109 -17.6105 -17.6105 -1.1222 -1.1222 -1.1175 -1.1175 -0.5502 -0.5502 -0.5471 -0.5471 -0.0675 -0.0675 -0.0571 -0.0571 0.2911 0.2911 0.3192 0.3192 1.3665 1.3665 1.3723 1.3723 1.6545 1.6545 1.6670 1.6670 4.7036 4.7036 4.7452 4.7452 5.0690 5.0690 5.1321 5.1321 5.3155 5.3155 5.4235 5.4235 5.5088 5.5088 5.5320 5.5320 6.7549 6.7549 6.7762 6.7762 14.3218 14.3218 14.3263 14.3263 15.5573 15.5573 k = 0.4519-0.0000 0.3213 ( 2684 PWs) bands (ev): -17.7518 -17.7518 -17.7494 -17.7494 -17.6138 -17.6138 -17.6135 -17.6135 -1.1330 -1.1330 -1.1284 -1.1284 -0.5429 -0.5429 -0.5396 -0.5396 -0.0727 -0.0727 -0.0620 -0.0620 0.2927 0.2927 0.3213 0.3213 1.3704 1.3704 1.3768 1.3768 1.6478 1.6478 1.6611 1.6611 4.6999 4.6999 4.7416 4.7416 5.0682 5.0682 5.1323 5.1323 5.3167 5.3167 5.4249 5.4249 5.5057 5.5057 5.5299 5.5299 6.7590 6.7590 6.7804 6.7804 14.4196 14.4196 14.4240 14.4240 15.4519 15.4519 k = 0.4615-0.0000 0.3213 ( 2684 PWs) bands (ev): -17.7474 -17.7474 -17.7449 -17.7449 -17.6164 -17.6164 -17.6162 -17.6162 -1.1419 -1.1419 -1.1374 -1.1374 -0.5366 -0.5366 -0.5331 -0.5331 -0.0773 -0.0773 -0.0663 -0.0663 0.2942 0.2942 0.3233 0.3233 1.3736 1.3736 1.3805 1.3805 1.6421 1.6421 1.6562 1.6562 4.6969 4.6969 4.7386 4.7386 5.0675 5.0675 5.1325 5.1325 5.3177 5.3177 5.4260 5.4260 5.5032 5.5032 5.5283 5.5283 6.7624 6.7624 6.7839 6.7839 14.5178 14.5178 14.5219 14.5219 15.3474 15.3474 k = 0.4712-0.0000 0.3213 ( 2676 PWs) bands (ev): -17.7438 -17.7438 -17.7412 -17.7412 -17.6185 -17.6185 -17.6184 -17.6184 -1.1488 -1.1488 -1.1444 -1.1444 -0.5316 -0.5316 -0.5279 -0.5279 -0.0811 -0.0811 -0.0699 -0.0699 0.2955 0.2955 0.3249 0.3249 1.3761 1.3761 1.3834 1.3834 1.6377 1.6377 1.6524 1.6524 4.6945 4.6945 4.7362 4.7362 5.0670 5.0670 5.1326 5.1326 5.3185 5.3185 5.4270 5.4270 5.5014 5.5014 5.5270 5.5270 6.7650 6.7650 6.7867 6.7867 14.6161 14.6161 14.6194 14.6194 15.2440 15.2440 k = 0.4808-0.0000 0.3213 ( 2670 PWs) bands (ev): -17.7412 -17.7412 -17.7385 -17.7385 -17.6201 -17.6201 -17.6200 -17.6200 -1.1538 -1.1538 -1.1495 -1.1495 -0.5278 -0.5278 -0.5240 -0.5240 -0.0839 -0.0839 -0.0726 -0.0726 0.2966 0.2966 0.3262 0.3262 1.3779 1.3779 1.3855 1.3855 1.6345 1.6345 1.6496 1.6496 4.6929 4.6929 4.7345 4.7345 5.0666 5.0666 5.1328 5.1328 5.3191 5.3191 5.4277 5.4277 5.5000 5.5000 5.5261 5.5261 6.7669 6.7669 6.7887 6.7887 14.7137 14.7137 14.7153 14.7153 15.1429 15.1429 k = 0.4904-0.0000 0.3213 ( 2668 PWs) bands (ev): -17.7396 -17.7396 -17.7368 -17.7368 -17.6211 -17.6211 -17.6211 -17.6211 -1.1569 -1.1569 -1.1525 -1.1525 -0.5256 -0.5256 -0.5217 -0.5217 -0.0857 -0.0857 -0.0742 -0.0742 0.2972 0.2972 0.3270 0.3270 1.3789 1.3789 1.3868 1.3868 1.6326 1.6326 1.6480 1.6480 4.6918 4.6918 4.7335 4.7335 5.0664 5.0664 5.1328 5.1328 5.3194 5.3194 5.4281 5.4281 5.4992 5.4992 5.5256 5.5256 6.7681 6.7681 6.7898 6.7898 14.8041 14.8041 14.8067 14.8067 15.0477 15.0477 k = 0.5000-0.0000 0.3213 ( 2660 PWs) bands (ev): -17.7390 -17.7390 -17.7362 -17.7362 -17.6214 -17.6214 -17.6214 -17.6214 -1.1579 -1.1579 -1.1535 -1.1535 -0.5248 -0.5248 -0.5209 -0.5209 -0.0863 -0.0863 -0.0748 -0.0748 0.2975 0.2975 0.3272 0.3272 1.3793 1.3793 1.3872 1.3872 1.6319 1.6319 1.6474 1.6474 4.6915 4.6915 4.7332 4.7332 5.0663 5.0663 5.1328 5.1328 5.3196 5.3196 5.4283 5.4283 5.4990 5.4990 5.5255 5.5255 6.7685 6.7685 6.7903 6.7903 14.8533 14.8533 14.8634 14.8634 14.9902 14.9902 k = 0.5000-0.0000 0.3213 ( 2660 PWs) bands (ev): -17.7390 -17.7390 -17.7362 -17.7362 -17.6214 -17.6214 -17.6214 -17.6214 -1.1579 -1.1579 -1.1535 -1.1535 -0.5248 -0.5248 -0.5209 -0.5209 -0.0863 -0.0863 -0.0748 -0.0748 0.2975 0.2975 0.3272 0.3272 1.3793 1.3793 1.3872 1.3872 1.6319 1.6319 1.6474 1.6474 4.6915 4.6915 4.7332 4.7332 5.0663 5.0663 5.1328 5.1328 5.3196 5.3196 5.4283 5.4283 5.4990 5.4990 5.5255 5.5255 6.7685 6.7685 6.7903 6.7903 14.8533 14.8533 14.8634 14.8634 14.9902 14.9902 k = 0.5000 0.0096 0.3213 ( 2664 PWs) bands (ev): -17.7390 -17.7390 -17.7362 -17.7362 -17.6214 -17.6214 -17.6214 -17.6214 -1.1591 -1.1591 -1.1548 -1.1548 -0.5248 -0.5248 -0.5209 -0.5209 -0.0855 -0.0855 -0.0741 -0.0741 0.2970 0.2970 0.3267 0.3267 1.3802 1.3802 1.3882 1.3882 1.6323 1.6323 1.6478 1.6478 4.6918 4.6918 4.7335 4.7335 5.0664 5.0664 5.1328 5.1328 5.3193 5.3193 5.4279 5.4279 5.4995 5.4995 5.5259 5.5259 6.7678 6.7678 6.7896 6.7896 14.8476 14.8476 14.8562 14.8562 14.9981 14.9981 k = 0.5000 0.0192 0.3213 ( 2664 PWs) bands (ev): -17.7390 -17.7390 -17.7362 -17.7362 -17.6214 -17.6214 -17.6214 -17.6214 -1.1627 -1.1627 -1.1583 -1.1583 -0.5248 -0.5248 -0.5212 -0.5212 -0.0829 -0.0829 -0.0718 -0.0718 0.2956 0.2956 0.3251 0.3251 1.3830 1.3830 1.3911 1.3911 1.6332 1.6332 1.6487 1.6487 4.6928 4.6928 4.7346 4.7346 5.0666 5.0666 5.1328 5.1328 5.3186 5.3186 5.4270 5.4270 5.5009 5.5009 5.5273 5.5273 6.7659 6.7659 6.7876 6.7876 14.8326 14.8326 14.8383 14.8383 15.0180 15.0180 k = 0.5000 0.0288 0.3213 ( 2668 PWs) bands (ev): -17.7391 -17.7391 -17.7363 -17.7363 -17.6213 -17.6213 -17.6213 -17.6213 -1.1686 -1.1686 -1.1642 -1.1642 -0.5249 -0.5249 -0.5216 -0.5216 -0.0786 -0.0786 -0.0680 -0.0680 0.2934 0.2934 0.3225 0.3225 1.3877 1.3877 1.3959 1.3959 1.6348 1.6348 1.6503 1.6503 4.6945 4.6945 4.7363 4.7363 5.0669 5.0669 5.1329 5.1329 5.3174 5.3174 5.4255 5.4255 5.5032 5.5032 5.5297 5.5297 6.7626 6.7626 6.7843 6.7843 14.8120 14.8120 14.8152 14.8152 15.0444 15.0444 k = 0.5000 0.0384 0.3213 ( 2672 PWs) bands (ev): -17.7391 -17.7391 -17.7363 -17.7363 -17.6212 -17.6212 -17.6212 -17.6212 -1.1766 -1.1766 -1.1722 -1.1722 -0.5252 -0.5252 -0.5224 -0.5224 -0.0727 -0.0727 -0.0626 -0.0626 0.2903 0.2903 0.3190 0.3190 1.3941 1.3941 1.4025 1.4025 1.6370 1.6370 1.6525 1.6525 4.6969 4.6969 4.7387 4.7387 5.0674 5.0674 5.1330 5.1330 5.3156 5.3156 5.4234 5.4234 5.5065 5.5065 5.5330 5.5330 6.7581 6.7581 6.7797 6.7797 14.7885 14.7885 14.7899 14.7899 15.0743 15.0743 k = 0.5000 0.0480 0.3213 ( 2680 PWs) bands (ev): -17.7391 -17.7391 -17.7364 -17.7364 -17.6211 -17.6211 -17.6210 -17.6210 -1.1866 -1.1866 -1.1822 -1.1822 -0.5259 -0.5259 -0.5237 -0.5237 -0.0651 -0.0651 -0.0558 -0.0558 0.2865 0.2865 0.3146 0.3146 1.4021 1.4021 1.4107 1.4107 1.6398 1.6398 1.6554 1.6554 4.6999 4.6999 4.7418 4.7418 5.0679 5.0679 5.1331 5.1331 5.3134 5.3134 5.4206 5.4206 5.5108 5.5108 5.5372 5.5372 6.7523 6.7523 6.7739 6.7739 14.7637 14.7637 14.7637 14.7637 15.1064 15.1064 k = 0.5000 0.0576 0.3213 ( 2676 PWs) bands (ev): -17.7391 -17.7391 -17.7365 -17.7365 -17.6209 -17.6209 -17.6209 -17.6209 -1.1984 -1.1984 -1.1939 -1.1939 -0.5271 -0.5271 -0.5256 -0.5256 -0.0558 -0.0558 -0.0474 -0.0474 0.2820 0.2820 0.3094 0.3094 1.4116 1.4116 1.4205 1.4205 1.6433 1.6433 1.6588 1.6588 4.7036 4.7036 4.7456 4.7456 5.0686 5.0686 5.1332 5.1332 5.3106 5.3106 5.4174 5.4174 5.5161 5.5161 5.5425 5.5425 6.7453 6.7453 6.7667 6.7667 14.7374 14.7374 14.7384 14.7384 15.1400 15.1400 k = 0.5000 0.0672 0.3213 ( 2676 PWs) bands (ev): -17.7392 -17.7392 -17.7365 -17.7365 -17.6207 -17.6207 -17.6207 -17.6207 -1.2116 -1.2116 -1.2071 -1.2071 -0.5291 -0.5291 -0.5282 -0.5282 -0.0451 -0.0451 -0.0375 -0.0375 0.2770 0.2770 0.3035 0.3035 1.4224 1.4224 1.4317 1.4317 1.6474 1.6474 1.6629 1.6629 4.7079 4.7079 4.7501 4.7501 5.0694 5.0694 5.1334 5.1334 5.3074 5.3074 5.4135 5.4135 5.5223 5.5223 5.5486 5.5486 6.7371 6.7371 6.7584 6.7584 14.7112 14.7112 14.7129 14.7129 15.1748 15.1748 k = 0.5000 0.0768 0.3213 ( 2672 PWs) bands (ev): -17.7392 -17.7392 -17.7366 -17.7366 -17.6204 -17.6204 -17.6204 -17.6204 -1.2261 -1.2261 -1.2216 -1.2216 -0.5318 -0.5318 -0.5317 -0.5317 -0.0329 -0.0329 -0.0262 -0.0262 0.2714 0.2714 0.2972 0.2972 1.4345 1.4345 1.4440 1.4440 1.6520 1.6520 1.6676 1.6676 4.7128 4.7128 4.7551 4.7551 5.0703 5.0703 5.1336 5.1336 5.3035 5.3035 5.4091 5.4091 5.5296 5.5296 5.5558 5.5558 6.7276 6.7276 6.7488 6.7488 14.6853 14.6853 14.6876 14.6876 15.2107 15.2107 k = 0.5000 0.0864 0.3213 ( 2668 PWs) bands (ev): -17.7393 -17.7393 -17.7367 -17.7367 -17.6202 -17.6202 -17.6202 -17.6202 -1.2417 -1.2417 -1.2372 -1.2372 -0.5360 -0.5360 -0.5355 -0.5355 -0.0193 -0.0193 -0.0136 -0.0136 0.2655 0.2655 0.2903 0.2903 1.4475 1.4475 1.4574 1.4574 1.6573 1.6573 1.6728 1.6728 4.7184 4.7184 4.7609 4.7609 5.0713 5.0713 5.1338 5.1338 5.2992 5.2992 5.4041 5.4041 5.5380 5.5380 5.5639 5.5639 6.7170 6.7170 6.7380 6.7380 14.6598 14.6598 14.6625 14.6625 15.2474 15.2474 k = 0.5000 0.0960 0.3213 ( 2664 PWs) bands (ev): -17.7393 -17.7393 -17.7368 -17.7368 -17.6199 -17.6199 -17.6199 -17.6199 -1.2581 -1.2581 -1.2536 -1.2536 -0.5412 -0.5412 -0.5402 -0.5402 -0.0046 -0.0046 0.0002 0.0002 0.2593 0.2593 0.2832 0.2832 1.4613 1.4613 1.4715 1.4715 1.6631 1.6631 1.6786 1.6786 4.7246 4.7246 4.7672 4.7672 5.0723 5.0723 5.1340 5.1340 5.2943 5.2943 5.3985 5.3985 5.5473 5.5473 5.5729 5.5729 6.7052 6.7052 6.7260 6.7260 14.6349 14.6349 14.6379 14.6379 15.2851 15.2851 k = 0.5000 0.1056 0.3213 ( 2668 PWs) bands (ev): -17.7394 -17.7394 -17.7370 -17.7370 -17.6196 -17.6196 -17.6196 -17.6196 -1.2751 -1.2751 -1.2706 -1.2706 -0.5473 -0.5473 -0.5458 -0.5458 0.0110 0.0110 0.0151 0.0151 0.2530 0.2530 0.2758 0.2758 1.4758 1.4758 1.4862 1.4862 1.6696 1.6696 1.6849 1.6849 4.7314 4.7314 4.7741 4.7741 5.0733 5.0733 5.1341 5.1341 5.2888 5.2888 5.3925 5.3925 5.5576 5.5576 5.5829 5.5829 6.6922 6.6922 6.7128 6.7128 14.6105 14.6105 14.6138 14.6138 15.3235 15.3235 k = 0.5000 0.1152 0.3213 ( 2668 PWs) bands (ev): -17.7394 -17.7394 -17.7371 -17.7371 -17.6193 -17.6193 -17.6193 -17.6193 -1.2925 -1.2925 -1.2880 -1.2880 -0.5542 -0.5542 -0.5523 -0.5523 0.0275 0.0275 0.0308 0.0308 0.2465 0.2465 0.2682 0.2682 1.4907 1.4907 1.5013 1.5013 1.6765 1.6765 1.6917 1.6917 4.7387 4.7387 4.7816 4.7816 5.0743 5.0743 5.1343 5.1343 5.2829 5.2829 5.3859 5.3859 5.5690 5.5690 5.5939 5.5939 6.6781 6.6781 6.6984 6.6984 14.5868 14.5868 14.5902 14.5902 15.3627 15.3627 k = 0.5000 0.1248 0.3213 ( 2672 PWs) bands (ev): -17.7395 -17.7395 -17.7372 -17.7372 -17.6190 -17.6190 -17.6190 -17.6190 -1.3101 -1.3101 -1.3057 -1.3057 -0.5619 -0.5619 -0.5597 -0.5597 0.0446 0.0446 0.0473 0.0473 0.2399 0.2399 0.2607 0.2607 1.5058 1.5058 1.5166 1.5166 1.6840 1.6840 1.6991 1.6991 4.7465 4.7465 4.7897 4.7897 5.0754 5.0754 5.1344 5.1344 5.2764 5.2764 5.3788 5.3788 5.5813 5.5813 5.6057 5.6057 6.6629 6.6629 6.6831 6.6831 14.5636 14.5636 14.5673 14.5673 15.4027 15.4027 k = 0.5000 0.1344 0.3213 ( 2672 PWs) bands (ev): -17.7396 -17.7396 -17.7373 -17.7373 -17.6187 -17.6187 -17.6186 -17.6186 -1.3278 -1.3278 -1.3234 -1.3234 -0.5703 -0.5703 -0.5678 -0.5678 0.0622 0.0622 0.0643 0.0643 0.2335 0.2335 0.2532 0.2532 1.5211 1.5211 1.5320 1.5320 1.6921 1.6921 1.7068 1.7068 4.7550 4.7550 4.7983 4.7983 5.0764 5.0764 5.1345 5.1345 5.2694 5.2694 5.3712 5.3712 5.5946 5.5946 5.6185 5.6185 6.6467 6.6467 6.6666 6.6666 14.5412 14.5412 14.5450 14.5450 15.4433 15.4433 k = 0.5000 0.1440 0.3213 ( 2676 PWs) bands (ev): -17.7396 -17.7396 -17.7375 -17.7375 -17.6183 -17.6183 -17.6183 -17.6183 -1.3454 -1.3454 -1.3411 -1.3411 -0.5793 -0.5793 -0.5766 -0.5766 0.0800 0.0800 0.0817 0.0817 0.2271 0.2271 0.2459 0.2459 1.5362 1.5362 1.5471 1.5471 1.7006 1.7006 1.7150 1.7150 4.7639 4.7639 4.8074 4.8074 5.0774 5.0774 5.1345 5.1345 5.2620 5.2620 5.3632 5.3632 5.6089 5.6089 5.6322 5.6322 6.6295 6.6295 6.6492 6.6492 14.5195 14.5195 14.5233 14.5233 15.4846 15.4846 k = 0.5000 0.1536 0.3213 ( 2676 PWs) bands (ev): -17.7397 -17.7397 -17.7376 -17.7376 -17.6180 -17.6180 -17.6179 -17.6179 -1.3627 -1.3627 -1.3586 -1.3586 -0.5887 -0.5887 -0.5859 -0.5859 0.0978 0.0978 0.0992 0.0992 0.2209 0.2209 0.2387 0.2387 1.5512 1.5512 1.5620 1.5620 1.7096 1.7096 1.7236 1.7236 4.7733 4.7733 4.8169 4.8169 5.0783 5.0783 5.1345 5.1345 5.2542 5.2542 5.3548 5.3548 5.6241 5.6241 5.6468 5.6468 6.6114 6.6114 6.6308 6.6308 14.4986 14.4986 14.5024 14.5024 15.5264 15.5264 k = 0.5000 0.1632 0.3213 ( 2676 PWs) bands (ev): -17.7398 -17.7398 -17.7378 -17.7378 -17.6176 -17.6176 -17.6176 -17.6176 -1.3798 -1.3798 -1.3758 -1.3758 -0.5984 -0.5984 -0.5956 -0.5956 0.1155 0.1155 0.1167 0.1167 0.2150 0.2150 0.2319 0.2319 1.5658 1.5658 1.5763 1.5763 1.7190 1.7190 1.7325 1.7325 4.7832 4.7832 4.8270 4.8270 5.0791 5.0791 5.1344 5.1344 5.2460 5.2460 5.3460 5.3460 5.6401 5.6401 5.6623 5.6623 6.5925 6.5925 6.6115 6.6115 14.4785 14.4785 14.4823 14.4823 15.5688 15.5688 k = 0.5000 0.1728 0.3213 ( 2672 PWs) bands (ev): -17.7398 -17.7398 -17.7379 -17.7379 -17.6173 -17.6173 -17.6172 -17.6172 -1.3964 -1.3964 -1.3926 -1.3926 -0.6084 -0.6084 -0.6055 -0.6055 0.1328 0.1328 0.1339 0.1339 0.2094 0.2094 0.2255 0.2255 1.5800 1.5800 1.5901 1.5901 1.7288 1.7288 1.7417 1.7417 4.7935 4.7935 4.8374 4.8374 5.0799 5.0799 5.1341 5.1341 5.2376 5.2376 5.3368 5.3368 5.6570 5.6570 5.6786 5.6786 6.5727 6.5727 6.5915 6.5915 14.4591 14.4591 14.4629 14.4629 15.6116 15.6116 k = 0.5000 0.1824 0.3213 ( 2664 PWs) bands (ev): -17.7399 -17.7399 -17.7381 -17.7381 -17.6169 -17.6169 -17.6168 -17.6168 -1.4125 -1.4125 -1.4088 -1.4088 -0.6184 -0.6184 -0.6156 -0.6156 0.1494 0.1494 0.1506 0.1506 0.2043 0.2043 0.2198 0.2198 1.5935 1.5935 1.6033 1.6033 1.7389 1.7389 1.7511 1.7511 4.8043 4.8043 4.8482 4.8482 5.0804 5.0804 5.1337 5.1337 5.2290 5.2290 5.3274 5.3274 5.6748 5.6748 5.6957 5.6957 6.5522 6.5522 6.5706 6.5706 14.4407 14.4407 14.4444 14.4444 15.6547 15.6547 k = 0.5000 0.1920 0.3213 ( 2664 PWs) bands (ev): -17.7399 -17.7399 -17.7382 -17.7382 -17.6166 -17.6166 -17.6165 -17.6165 -1.4279 -1.4279 -1.4244 -1.4244 -0.6285 -0.6285 -0.6258 -0.6258 0.1646 0.1646 0.1662 0.1662 0.2001 0.2001 0.2152 0.2152 1.6065 1.6065 1.6157 1.6157 1.7492 1.7492 1.7606 1.7606 4.8154 4.8154 4.8593 4.8593 5.0809 5.0809 5.1329 5.1329 5.2203 5.2203 5.3177 5.3177 5.6932 5.6932 5.7135 5.7135 6.5310 6.5310 6.5491 6.5491 14.4231 14.4231 14.4268 14.4268 15.6980 15.6980 k = 0.5000 0.2016 0.3213 ( 2664 PWs) bands (ev): -17.7400 -17.7400 -17.7384 -17.7384 -17.6162 -17.6162 -17.6162 -17.6162 -1.4427 -1.4427 -1.4394 -1.4394 -0.6384 -0.6384 -0.6358 -0.6358 0.1772 0.1772 0.1785 0.1785 0.1991 0.1991 0.2130 0.2130 1.6187 1.6187 1.6273 1.6273 1.7595 1.7595 1.7700 1.7700 4.8269 4.8269 4.8708 4.8708 5.0811 5.0811 5.1318 5.1318 5.2116 5.2116 5.3077 5.3077 5.7123 5.7123 5.7319 5.7319 6.5092 6.5092 6.5269 6.5269 14.4065 14.4065 14.4100 14.4100 15.7413 15.7413 k = 0.5000 0.2112 0.3213 ( 2660 PWs) bands (ev): -17.7400 -17.7400 -17.7385 -17.7385 -17.6159 -17.6159 -17.6158 -17.6158 -1.4567 -1.4567 -1.4536 -1.4536 -0.6481 -0.6481 -0.6456 -0.6456 0.1822 0.1822 0.1843 0.1843 0.2063 0.2063 0.2160 0.2160 1.6301 1.6301 1.6381 1.6381 1.7698 1.7698 1.7795 1.7795 4.8387 4.8387 4.8825 4.8825 5.0811 5.0811 5.1302 5.1302 5.2031 5.2031 5.2975 5.2975 5.7321 5.7321 5.7510 5.7510 6.4869 6.4869 6.5042 6.5042 14.3909 14.3909 14.3943 14.3943 15.7844 15.7844 k = 0.5000 0.2208 0.3213 ( 2648 PWs) bands (ev): -17.7400 -17.7400 -17.7386 -17.7386 -17.6156 -17.6156 -17.6155 -17.6155 -1.4698 -1.4698 -1.4669 -1.4669 -0.6574 -0.6574 -0.6551 -0.6551 0.1801 0.1801 0.1850 0.1850 0.2189 0.2189 0.2249 0.2249 1.6408 1.6408 1.6481 1.6481 1.7799 1.7799 1.7887 1.7887 4.8508 4.8508 4.8944 4.8944 5.0809 5.0809 5.1277 5.1277 5.1952 5.1952 5.2873 5.2873 5.7524 5.7524 5.7707 5.7707 6.4643 6.4643 6.4812 6.4812 14.3762 14.3762 14.3794 14.3794 15.8272 15.8272 k = 0.5000 0.2305 0.3213 ( 2656 PWs) bands (ev): -17.7400 -17.7400 -17.7388 -17.7388 -17.6153 -17.6153 -17.6152 -17.6152 -1.4821 -1.4821 -1.4794 -1.4794 -0.6664 -0.6664 -0.6643 -0.6643 0.1768 0.1768 0.1826 0.1826 0.2320 0.2320 0.2363 0.2363 1.6507 1.6507 1.6572 1.6572 1.7897 1.7897 1.7976 1.7976 4.8631 4.8631 4.9064 4.9064 5.0803 5.0803 5.1242 5.1242 5.1881 5.1881 5.2769 5.2769 5.7730 5.7730 5.7906 5.7906 6.4414 6.4414 6.4578 6.4578 14.3626 14.3626 14.3657 14.3657 15.8692 15.8692 k = 0.5000 0.2401 0.3213 ( 2660 PWs) bands (ev): -17.7401 -17.7401 -17.7389 -17.7389 -17.6150 -17.6150 -17.6149 -17.6149 -1.4935 -1.4935 -1.4910 -1.4910 -0.6749 -0.6749 -0.6729 -0.6729 0.1735 0.1735 0.1793 0.1793 0.2447 0.2447 0.2480 0.2480 1.6597 1.6597 1.6655 1.6655 1.7991 1.7991 1.8061 1.8061 4.8757 4.8757 4.9185 4.9185 5.0793 5.0793 5.1193 5.1193 5.1822 5.1822 5.2666 5.2666 5.7940 5.7940 5.8109 5.8109 6.4183 6.4183 6.4343 6.4343 14.3501 14.3501 14.3529 14.3529 15.9103 15.9103 k = 0.5000 0.2497 0.3213 ( 2656 PWs) bands (ev): -17.7401 -17.7401 -17.7390 -17.7390 -17.6147 -17.6147 -17.6147 -17.6147 -1.5038 -1.5038 -1.5016 -1.5016 -0.6827 -0.6827 -0.6810 -0.6810 0.1703 0.1703 0.1758 0.1758 0.2565 0.2565 0.2593 0.2593 1.6679 1.6679 1.6730 1.6730 1.8080 1.8080 1.8142 1.8142 4.8885 4.8885 4.9307 4.9307 5.0780 5.0780 5.1130 5.1130 5.1776 5.1776 5.2564 5.2564 5.8151 5.8151 5.8313 5.8313 6.3954 6.3954 6.4108 6.4108 14.3386 14.3386 14.3413 14.3413 15.9500 15.9500 k = 0.5000 0.2593 0.3213 ( 2660 PWs) bands (ev): -17.7401 -17.7401 -17.7392 -17.7392 -17.6145 -17.6145 -17.6144 -17.6144 -1.5132 -1.5132 -1.5112 -1.5112 -0.6900 -0.6900 -0.6884 -0.6884 0.1675 0.1675 0.1725 0.1725 0.2674 0.2674 0.2697 0.2697 1.6753 1.6753 1.6797 1.6797 1.8163 1.8163 1.8216 1.8216 4.9015 4.9015 4.9428 4.9428 5.0761 5.0761 5.1052 5.1052 5.1744 5.1744 5.2464 5.2464 5.8362 5.8362 5.8516 5.8516 6.3727 6.3727 6.3875 6.3875 14.3283 14.3283 14.3307 14.3307 15.9879 15.9879 k = 0.5000 0.2689 0.3213 ( 2656 PWs) bands (ev): -17.7401 -17.7401 -17.7393 -17.7393 -17.6142 -17.6142 -17.6142 -17.6142 -1.5215 -1.5215 -1.5197 -1.5197 -0.6965 -0.6965 -0.6951 -0.6951 0.1650 0.1650 0.1694 0.1694 0.2771 0.2771 0.2791 0.2791 1.6818 1.6818 1.6856 1.6856 1.8238 1.8238 1.8283 1.8283 4.9146 4.9146 4.9548 4.9548 5.0737 5.0737 5.0962 5.0962 5.1726 5.1726 5.2366 5.2366 5.8571 5.8571 5.8716 5.8716 6.3507 6.3507 6.3647 6.3647 14.3192 14.3192 14.3213 14.3213 16.0234 16.0234 k = 0.5000 0.2785 0.3213 ( 2656 PWs) bands (ev): -17.7401 -17.7401 -17.7394 -17.7394 -17.6140 -17.6140 -17.6140 -17.6140 -1.5288 -1.5288 -1.5272 -1.5272 -0.7022 -0.7022 -0.7010 -0.7010 0.1628 0.1628 0.1666 0.1666 0.2857 0.2857 0.2874 0.2874 1.6875 1.6875 1.6907 1.6907 1.8305 1.8305 1.8343 1.8343 4.9278 4.9278 4.9666 4.9666 5.0707 5.0707 5.0861 5.0861 5.1718 5.1718 5.2273 5.2273 5.8774 5.8774 5.8908 5.8908 6.3297 6.3297 6.3427 6.3427 14.3113 14.3113 14.3131 14.3131 16.0562 16.0562 k = 0.5000 0.2881 0.3213 ( 2652 PWs) bands (ev): -17.7401 -17.7401 -17.7395 -17.7395 -17.6139 -17.6139 -17.6138 -17.6138 -1.5349 -1.5349 -1.5336 -1.5336 -0.7071 -0.7071 -0.7061 -0.7061 0.1610 0.1610 0.1642 0.1642 0.2930 0.2930 0.2944 0.2944 1.6924 1.6924 1.6950 1.6950 1.8363 1.8363 1.8394 1.8394 4.9410 4.9410 4.9780 4.9780 5.0669 5.0669 5.0754 5.0754 5.1721 5.1721 5.2185 5.2185 5.8967 5.8967 5.9088 5.9088 6.3101 6.3101 6.3219 6.3219 14.3045 14.3045 14.3061 14.3061 16.0855 16.0855 k = 0.5000 0.2977 0.3213 ( 2660 PWs) bands (ev): -17.7401 -17.7401 -17.7396 -17.7396 -17.6137 -17.6137 -17.6137 -17.6137 -1.5399 -1.5399 -1.5389 -1.5389 -0.7112 -0.7112 -0.7104 -0.7104 0.1595 0.1595 0.1621 0.1621 0.2991 0.2991 0.3002 0.3002 1.6964 1.6964 1.6984 1.6984 1.8412 1.8412 1.8437 1.8437 4.9541 4.9541 4.9887 4.9887 5.0625 5.0625 5.0642 5.0642 5.1731 5.1731 5.2103 5.2103 5.9145 5.9145 5.9250 5.9250 6.2925 6.2925 6.3028 6.3028 14.2990 14.2990 14.3003 14.3003 16.1109 16.1109 k = 0.5000 0.3073 0.3213 ( 2660 PWs) bands (ev): -17.7400 -17.7400 -17.7397 -17.7397 -17.6136 -17.6136 -17.6136 -17.6136 -1.5438 -1.5438 -1.5431 -1.5431 -0.7143 -0.7143 -0.7138 -0.7138 0.1585 0.1585 0.1604 0.1604 0.3039 0.3039 0.3048 0.3048 1.6996 1.6996 1.7011 1.7011 1.8451 1.8451 1.8469 1.8469 4.9672 4.9672 4.9984 4.9984 5.0531 5.0531 5.0572 5.0572 5.1750 5.1750 5.2028 5.2028 5.9302 5.9302 5.9387 5.9387 6.2778 6.2778 6.2862 6.2862 14.2947 14.2947 14.2957 14.2957 16.1318 16.1318 k = 0.5000 0.3169 0.3213 ( 2660 PWs) bands (ev): -17.7400 -17.7400 -17.7398 -17.7398 -17.6135 -17.6135 -17.6135 -17.6135 -1.5466 -1.5466 -1.5461 -1.5461 -0.7166 -0.7166 -0.7162 -0.7162 0.1578 0.1578 0.1591 0.1591 0.3074 0.3074 0.3080 0.3080 1.7019 1.7019 1.7029 1.7029 1.8480 1.8480 1.8492 1.8492 4.9800 4.9800 5.0061 5.0061 5.0434 5.0434 5.0514 5.0514 5.1776 5.1776 5.1961 5.1961 5.9428 5.9428 5.9489 5.9489 6.2669 6.2669 6.2729 6.2729 14.2917 14.2917 14.2924 14.2924 16.1477 16.1477 k = 0.5000 0.3265 0.3213 ( 2660 PWs) bands (ev): -17.7399 -17.7399 -17.7398 -17.7398 -17.6135 -17.6135 -17.6135 -17.6135 -1.5482 -1.5482 -1.5480 -1.5480 -0.7179 -0.7179 -0.7177 -0.7177 0.1575 0.1575 0.1582 0.1582 0.3096 0.3096 0.3099 0.3099 1.7034 1.7034 1.7039 1.7039 1.8499 1.8499 1.8505 1.8505 4.9922 4.9922 5.0085 5.0085 5.0379 5.0379 5.0452 5.0452 5.1810 5.1810 5.1902 5.1902 5.9516 5.9516 5.9548 5.9548 6.2605 6.2605 6.2637 6.2637 14.2900 14.2900 14.2903 14.2903 16.1583 16.1583 k = 0.5000 0.3361 0.3213 ( 2656 PWs) bands (ev): -17.7399 -17.7399 -17.7399 -17.7399 -17.6135 -17.6135 -17.6135 -17.6135 -1.5487 -1.5487 -1.5487 -1.5487 -0.7183 -0.7183 -0.7183 -0.7183 0.1577 0.1577 0.1577 0.1577 0.3104 0.3104 0.3104 0.3104 1.7041 1.7041 1.7041 1.7041 1.8507 1.8507 1.8507 1.8507 5.0027 5.0027 5.0027 5.0027 5.0397 5.0397 5.0397 5.0397 5.1852 5.1852 5.1852 5.1852 5.9557 5.9557 5.9557 5.9557 6.2595 6.2595 6.2595 6.2595 14.2895 14.2895 14.2895 14.2895 16.1632 16.1632 k = 0.5000 0.3361 0.3213 ( 2656 PWs) bands (ev): -17.7399 -17.7399 -17.7399 -17.7399 -17.6135 -17.6135 -17.6135 -17.6135 -1.5487 -1.5487 -1.5487 -1.5487 -0.7183 -0.7183 -0.7183 -0.7183 0.1577 0.1577 0.1577 0.1577 0.3104 0.3104 0.3104 0.3104 1.7041 1.7041 1.7041 1.7041 1.8507 1.8507 1.8507 1.8507 5.0027 5.0027 5.0027 5.0027 5.0397 5.0397 5.0397 5.0397 5.1852 5.1852 5.1852 5.1852 5.9557 5.9557 5.9557 5.9557 6.2595 6.2595 6.2595 6.2595 14.2895 14.2895 14.2895 14.2895 16.1632 16.1632 k = 0.4904 0.3361 0.3213 ( 2652 PWs) bands (ev): -17.7401 -17.7401 -17.7401 -17.7401 -17.6135 -17.6135 -17.6135 -17.6135 -1.5483 -1.5483 -1.5483 -1.5483 -0.7181 -0.7181 -0.7181 -0.7181 0.1579 0.1579 0.1579 0.1579 0.3112 0.3112 0.3112 0.3112 1.7038 1.7038 1.7038 1.7038 1.8501 1.8501 1.8501 1.8501 5.0027 5.0027 5.0027 5.0027 5.0397 5.0397 5.0397 5.0397 5.1850 5.1850 5.1850 5.1850 5.9559 5.9559 5.9559 5.9559 6.2594 6.2594 6.2594 6.2594 14.2877 14.2877 14.2877 14.2877 16.1582 16.1582 k = 0.4808 0.3361 0.3213 ( 2652 PWs) bands (ev): -17.7406 -17.7406 -17.7406 -17.7406 -17.6137 -17.6137 -17.6137 -17.6137 -1.5472 -1.5472 -1.5472 -1.5472 -0.7174 -0.7174 -0.7174 -0.7174 0.1587 0.1587 0.1587 0.1587 0.3137 0.3137 0.3137 0.3137 1.7028 1.7028 1.7028 1.7028 1.8481 1.8481 1.8481 1.8481 5.0028 5.0028 5.0028 5.0028 5.0395 5.0395 5.0395 5.0395 5.1845 5.1845 5.1845 5.1845 5.9566 5.9566 5.9566 5.9566 6.2592 6.2592 6.2592 6.2592 14.2824 14.2824 14.2824 14.2824 16.1436 16.1436 k = 0.4712 0.3361 0.3213 ( 2648 PWs) bands (ev): -17.7414 -17.7414 -17.7414 -17.7414 -17.6139 -17.6139 -17.6139 -17.6139 -1.5454 -1.5454 -1.5454 -1.5454 -0.7164 -0.7164 -0.7164 -0.7164 0.1600 0.1600 0.1600 0.1600 0.3178 0.3178 0.3178 0.3178 1.7012 1.7012 1.7012 1.7012 1.8449 1.8449 1.8449 1.8449 5.0028 5.0028 5.0028 5.0028 5.0394 5.0394 5.0394 5.0394 5.1835 5.1835 5.1835 5.1835 5.9578 5.9578 5.9578 5.9578 6.2588 6.2588 6.2588 6.2588 14.2736 14.2736 14.2736 14.2736 16.1200 16.1200 k = 0.4615 0.3361 0.3213 ( 2656 PWs) bands (ev): -17.7426 -17.7426 -17.7426 -17.7426 -17.6143 -17.6143 -17.6143 -17.6143 -1.5429 -1.5429 -1.5429 -1.5429 -0.7148 -0.7148 -0.7148 -0.7148 0.1619 0.1619 0.1619 0.1619 0.3235 0.3235 0.3235 0.3235 1.6989 1.6989 1.6989 1.6989 1.8404 1.8404 1.8404 1.8404 5.0026 5.0026 5.0026 5.0026 5.0392 5.0392 5.0392 5.0392 5.1822 5.1822 5.1822 5.1822 5.9593 5.9593 5.9593 5.9593 6.2583 6.2583 6.2583 6.2583 14.2614 14.2614 14.2614 14.2614 16.0884 16.0884 k = 0.4519 0.3361 0.3213 ( 2648 PWs) bands (ev): -17.7441 -17.7441 -17.7441 -17.7441 -17.6147 -17.6147 -17.6147 -17.6147 -1.5398 -1.5398 -1.5398 -1.5398 -0.7128 -0.7128 -0.7128 -0.7128 0.1644 0.1644 0.1644 0.1644 0.3307 0.3307 0.3307 0.3307 1.6960 1.6960 1.6960 1.6960 1.8346 1.8346 1.8346 1.8346 5.0023 5.0023 5.0023 5.0023 5.0393 5.0393 5.0393 5.0393 5.1806 5.1806 5.1806 5.1806 5.9614 5.9614 5.9614 5.9614 6.2576 6.2576 6.2576 6.2576 14.2459 14.2459 14.2459 14.2459 16.0499 16.0499 k = 0.4423 0.3361 0.3213 ( 2644 PWs) bands (ev): -17.7459 -17.7459 -17.7459 -17.7459 -17.6152 -17.6152 -17.6152 -17.6152 -1.5360 -1.5360 -1.5360 -1.5360 -0.7104 -0.7104 -0.7104 -0.7104 0.1675 0.1675 0.1675 0.1675 0.3395 0.3395 0.3395 0.3395 1.6925 1.6925 1.6925 1.6925 1.8275 1.8275 1.8275 1.8275 5.0015 5.0015 5.0015 5.0015 5.0396 5.0396 5.0396 5.0396 5.1788 5.1788 5.1788 5.1788 5.9639 5.9639 5.9639 5.9639 6.2567 6.2567 6.2567 6.2567 14.2272 14.2272 14.2272 14.2272 16.0057 16.0057 k = 0.4327 0.3361 0.3213 ( 2644 PWs) bands (ev): -17.7481 -17.7481 -17.7481 -17.7481 -17.6159 -17.6159 -17.6159 -17.6159 -1.5317 -1.5317 -1.5317 -1.5317 -0.7074 -0.7074 -0.7074 -0.7074 0.1713 0.1713 0.1713 0.1713 0.3497 0.3497 0.3497 0.3497 1.6884 1.6884 1.6884 1.6884 1.8192 1.8192 1.8192 1.8192 5.0001 5.0001 5.0001 5.0001 5.0402 5.0402 5.0402 5.0402 5.1767 5.1767 5.1767 5.1767 5.9669 5.9669 5.9669 5.9669 6.2556 6.2556 6.2556 6.2556 14.2057 14.2057 14.2057 14.2057 15.9567 15.9567 k = 0.4231 0.3361 0.3213 ( 2648 PWs) bands (ev): -17.7505 -17.7505 -17.7505 -17.7505 -17.6166 -17.6166 -17.6166 -17.6166 -1.5270 -1.5270 -1.5270 -1.5270 -0.7038 -0.7038 -0.7038 -0.7038 0.1759 0.1759 0.1759 0.1759 0.3614 0.3614 0.3614 0.3614 1.6838 1.6838 1.6838 1.6838 1.8097 1.8097 1.8097 1.8097 4.9980 4.9980 4.9980 4.9980 5.0412 5.0412 5.0412 5.0412 5.1744 5.1744 5.1744 5.1744 5.9704 5.9704 5.9704 5.9704 6.2542 6.2542 6.2542 6.2542 14.1813 14.1813 14.1813 14.1813 15.9039 15.9039 k = 0.4135 0.3361 0.3213 ( 2656 PWs) bands (ev): -17.7533 -17.7533 -17.7533 -17.7533 -17.6174 -17.6174 -17.6174 -17.6174 -1.5218 -1.5218 -1.5218 -1.5218 -0.6997 -0.6997 -0.6997 -0.6997 0.1812 0.1812 0.1812 0.1812 0.3743 0.3743 0.3743 0.3743 1.6785 1.6785 1.6785 1.6785 1.7989 1.7989 1.7989 1.7989 4.9952 4.9952 4.9952 4.9952 5.0426 5.0426 5.0426 5.0426 5.1721 5.1721 5.1721 5.1721 5.9744 5.9744 5.9744 5.9744 6.2526 6.2526 6.2526 6.2526 14.1543 14.1543 14.1543 14.1543 15.8480 15.8480 k = 0.4038 0.3361 0.3213 ( 2656 PWs) bands (ev): -17.7563 -17.7563 -17.7563 -17.7563 -17.6183 -17.6183 -17.6183 -17.6183 -1.5163 -1.5163 -1.5163 -1.5163 -0.6949 -0.6949 -0.6949 -0.6949 0.1875 0.1875 0.1875 0.1875 0.3885 0.3885 0.3885 0.3885 1.6728 1.6728 1.6728 1.6728 1.7869 1.7869 1.7869 1.7869 4.9917 4.9917 4.9917 4.9917 5.0442 5.0442 5.0442 5.0442 5.1700 5.1700 5.1700 5.1700 5.9789 5.9789 5.9789 5.9789 6.2507 6.2507 6.2507 6.2507 14.1249 14.1249 14.1249 14.1249 15.7896 15.7896 k = 0.3942 0.3361 0.3213 ( 2656 PWs) bands (ev): -17.7596 -17.7596 -17.7596 -17.7596 -17.6193 -17.6193 -17.6193 -17.6193 -1.5105 -1.5105 -1.5105 -1.5105 -0.6896 -0.6896 -0.6896 -0.6896 0.1946 0.1946 0.1946 0.1946 0.4039 0.4039 0.4039 0.4039 1.6665 1.6665 1.6665 1.6665 1.7738 1.7738 1.7738 1.7738 4.9875 4.9875 4.9875 4.9875 5.0459 5.0459 5.0459 5.0459 5.1680 5.1680 5.1680 5.1680 5.9840 5.9840 5.9840 5.9840 6.2486 6.2486 6.2486 6.2486 14.0934 14.0934 14.0934 14.0934 15.7294 15.7294 k = 0.3846 0.3361 0.3213 ( 2656 PWs) bands (ev): -17.7632 -17.7632 -17.7632 -17.7632 -17.6203 -17.6203 -17.6203 -17.6203 -1.5045 -1.5045 -1.5045 -1.5045 -0.6835 -0.6835 -0.6835 -0.6835 0.2028 0.2028 0.2028 0.2028 0.4203 0.4203 0.4203 0.4203 1.6597 1.6597 1.6597 1.6597 1.7595 1.7595 1.7595 1.7595 4.9827 4.9827 4.9827 4.9827 5.0475 5.0475 5.0475 5.0475 5.1664 5.1664 5.1664 5.1664 5.9895 5.9895 5.9895 5.9895 6.2461 6.2461 6.2461 6.2461 14.0598 14.0598 14.0598 14.0598 15.6675 15.6675 k = 0.3750 0.3361 0.3213 ( 2664 PWs) bands (ev): -17.7670 -17.7670 -17.7670 -17.7670 -17.6215 -17.6215 -17.6215 -17.6215 -1.4985 -1.4985 -1.4985 -1.4985 -0.6767 -0.6767 -0.6767 -0.6767 0.2121 0.2121 0.2121 0.2121 0.4377 0.4377 0.4377 0.4377 1.6525 1.6525 1.6525 1.6525 1.7441 1.7441 1.7441 1.7441 4.9772 4.9772 4.9772 4.9772 5.0487 5.0487 5.0487 5.0487 5.1653 5.1653 5.1653 5.1653 5.9956 5.9956 5.9956 5.9956 6.2434 6.2434 6.2434 6.2434 14.0245 14.0245 14.0245 14.0245 15.6046 15.6046 k = 0.3654 0.3361 0.3213 ( 2676 PWs) bands (ev): -17.7711 -17.7711 -17.7711 -17.7711 -17.6227 -17.6227 -17.6227 -17.6227 -1.4925 -1.4925 -1.4925 -1.4925 -0.6692 -0.6692 -0.6692 -0.6692 0.2226 0.2226 0.2226 0.2226 0.4559 0.4559 0.4559 0.4559 1.6448 1.6448 1.6448 1.6448 1.7276 1.7276 1.7276 1.7276 4.9711 4.9711 4.9711 4.9711 5.0494 5.0494 5.0494 5.0494 5.1649 5.1649 5.1649 5.1649 6.0023 6.0023 6.0023 6.0023 6.2402 6.2402 6.2402 6.2402 13.9875 13.9875 13.9875 13.9875 15.5407 15.5407 k = 0.3558 0.3361 0.3213 ( 2680 PWs) bands (ev): -17.7754 -17.7754 -17.7754 -17.7754 -17.6239 -17.6239 -17.6239 -17.6239 -1.4865 -1.4865 -1.4865 -1.4865 -0.6608 -0.6608 -0.6608 -0.6608 0.2343 0.2343 0.2343 0.2343 0.4749 0.4749 0.4749 0.4749 1.6367 1.6367 1.6367 1.6367 1.7101 1.7101 1.7101 1.7101 4.9646 4.9646 4.9646 4.9646 5.0494 5.0494 5.0494 5.0494 5.1653 5.1653 5.1653 5.1653 6.0094 6.0094 6.0094 6.0094 6.2367 6.2367 6.2367 6.2367 13.9490 13.9490 13.9490 13.9490 15.4761 15.4761 k = 0.3462 0.3361 0.3213 ( 2680 PWs) bands (ev): -17.7799 -17.7799 -17.7799 -17.7799 -17.6252 -17.6252 -17.6252 -17.6252 -1.4808 -1.4808 -1.4808 -1.4808 -0.6517 -0.6517 -0.6517 -0.6517 0.2473 0.2473 0.2473 0.2473 0.4945 0.4945 0.4945 0.4945 1.6282 1.6282 1.6282 1.6282 1.6917 1.6917 1.6917 1.6917 4.9576 4.9576 4.9576 4.9576 5.0486 5.0486 5.0486 5.0486 5.1668 5.1668 5.1668 5.1668 6.0172 6.0172 6.0172 6.0172 6.2328 6.2328 6.2328 6.2328 13.9093 13.9093 13.9093 13.9093 15.4111 15.4111 k = 0.3365 0.3361 0.3213 ( 2680 PWs) bands (ev): -17.7845 -17.7845 -17.7845 -17.7845 -17.6266 -17.6266 -17.6266 -17.6266 -1.4753 -1.4753 -1.4753 -1.4753 -0.6417 -0.6417 -0.6417 -0.6417 0.2617 0.2617 0.2617 0.2617 0.5146 0.5146 0.5146 0.5146 1.6194 1.6194 1.6194 1.6194 1.6725 1.6725 1.6725 1.6725 4.9501 4.9501 4.9501 4.9501 5.0469 5.0469 5.0469 5.0469 5.1693 5.1693 5.1693 5.1693 6.0255 6.0255 6.0255 6.0255 6.2286 6.2286 6.2286 6.2286 13.8686 13.8686 13.8686 13.8686 15.3457 15.3457 k = 0.3269 0.3361 0.3213 ( 2676 PWs) bands (ev): -17.7894 -17.7894 -17.7894 -17.7894 -17.6280 -17.6280 -17.6280 -17.6280 -1.4701 -1.4701 -1.4701 -1.4701 -0.6308 -0.6308 -0.6308 -0.6308 0.2775 0.2775 0.2775 0.2775 0.5351 0.5351 0.5351 0.5351 1.6100 1.6100 1.6100 1.6100 1.6525 1.6525 1.6525 1.6525 4.9423 4.9423 4.9423 4.9423 5.0442 5.0442 5.0442 5.0442 5.1728 5.1728 5.1728 5.1728 6.0342 6.0342 6.0342 6.0342 6.2240 6.2240 6.2240 6.2240 13.8269 13.8269 13.8269 13.8269 15.2802 15.2802 k = 0.3173 0.3361 0.3213 ( 2680 PWs) bands (ev): -17.7943 -17.7943 -17.7943 -17.7943 -17.6295 -17.6295 -17.6295 -17.6295 -1.4654 -1.4654 -1.4654 -1.4654 -0.6191 -0.6191 -0.6191 -0.6191 0.2947 0.2947 0.2947 0.2947 0.5558 0.5558 0.5558 0.5558 1.6001 1.6001 1.6001 1.6001 1.6320 1.6320 1.6320 1.6320 4.9340 4.9340 4.9340 4.9340 5.0406 5.0406 5.0406 5.0406 5.1772 5.1772 5.1772 5.1772 6.0434 6.0434 6.0434 6.0434 6.2191 6.2191 6.2191 6.2191 13.7844 13.7844 13.7844 13.7844 15.2147 15.2147 k = 0.3077 0.3361 0.3213 ( 2684 PWs) bands (ev): -17.7995 -17.7995 -17.7995 -17.7995 -17.6310 -17.6310 -17.6310 -17.6310 -1.4611 -1.4611 -1.4611 -1.4611 -0.6064 -0.6064 -0.6064 -0.6064 0.3134 0.3134 0.3134 0.3134 0.5767 0.5767 0.5767 0.5767 1.5891 1.5891 1.5891 1.5891 1.6118 1.6118 1.6118 1.6118 4.9253 4.9253 4.9253 4.9253 5.0362 5.0362 5.0362 5.0362 5.1825 5.1825 5.1825 5.1825 6.0530 6.0530 6.0530 6.0530 6.2139 6.2139 6.2139 6.2139 13.7413 13.7413 13.7413 13.7413 15.1492 15.1492 k = 0.2981 0.3361 0.3213 ( 2680 PWs) bands (ev): -17.8047 -17.8047 -17.8047 -17.8047 -17.6326 -17.6326 -17.6326 -17.6326 -1.4574 -1.4574 -1.4574 -1.4574 -0.5927 -0.5927 -0.5927 -0.5927 0.3335 0.3335 0.3335 0.3335 0.5974 0.5974 0.5974 0.5974 1.5753 1.5753 1.5753 1.5753 1.5935 1.5935 1.5935 1.5935 4.9163 4.9163 4.9163 4.9163 5.0312 5.0312 5.0312 5.0312 5.1885 5.1885 5.1885 5.1885 6.0629 6.0629 6.0629 6.0629 6.2086 6.2086 6.2086 6.2086 13.6977 13.6977 13.6977 13.6977 15.0840 15.0840 k = 0.2885 0.3361 0.3213 ( 2680 PWs) bands (ev): -17.8100 -17.8100 -17.8100 -17.8100 -17.6341 -17.6341 -17.6341 -17.6341 -1.4542 -1.4542 -1.4542 -1.4542 -0.5782 -0.5782 -0.5782 -0.5782 0.3552 0.3552 0.3552 0.3552 0.6180 0.6180 0.6180 0.6180 1.5568 1.5568 1.5568 1.5568 1.5792 1.5792 1.5792 1.5792 4.9070 4.9070 4.9070 4.9070 5.0255 5.0255 5.0255 5.0255 5.1952 5.1952 5.1952 5.1952 6.0728 6.0728 6.0728 6.0728 6.2032 6.2032 6.2032 6.2032 13.6539 13.6539 13.6539 13.6539 15.0190 15.0190 k = 0.2788 0.3361 0.3213 ( 2684 PWs) bands (ev): -17.8154 -17.8154 -17.8154 -17.8154 -17.6357 -17.6357 -17.6357 -17.6357 -1.4516 -1.4516 -1.4516 -1.4516 -0.5626 -0.5626 -0.5626 -0.5626 0.3782 0.3782 0.3782 0.3782 0.6381 0.6381 0.6381 0.6381 1.5352 1.5352 1.5352 1.5352 1.5676 1.5676 1.5676 1.5676 4.8975 4.8975 4.8975 4.8975 5.0194 5.0194 5.0194 5.0194 5.2023 5.2023 5.2023 5.2023 6.0826 6.0826 6.0826 6.0826 6.1981 6.1981 6.1981 6.1981 13.6098 13.6098 13.6098 13.6098 14.9544 14.9544 k = 0.2692 0.3361 0.3213 ( 2692 PWs) bands (ev): -17.8208 -17.8208 -17.8208 -17.8208 -17.6374 -17.6374 -17.6374 -17.6374 -1.4496 -1.4496 -1.4496 -1.4496 -0.5461 -0.5461 -0.5461 -0.5461 0.4027 0.4027 0.4027 0.4027 0.6577 0.6577 0.6577 0.6577 1.5122 1.5122 1.5122 1.5122 1.5570 1.5570 1.5570 1.5570 4.8876 4.8876 4.8876 4.8876 5.0128 5.0128 5.0128 5.0128 5.2098 5.2098 5.2098 5.2098 6.0917 6.0917 6.0917 6.0917 6.1936 6.1936 6.1936 6.1936 13.5657 13.5657 13.5657 13.5657 14.8904 14.8904 k = 0.2596 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.8263 -17.8263 -17.8263 -17.8263 -17.6390 -17.6390 -17.6390 -17.6390 -1.4483 -1.4483 -1.4483 -1.4483 -0.5287 -0.5287 -0.5287 -0.5287 0.4284 0.4284 0.4284 0.4284 0.6764 0.6764 0.6764 0.6764 1.4887 1.4887 1.4887 1.4887 1.5467 1.5467 1.5467 1.5467 4.8775 4.8775 4.8775 4.8775 5.0060 5.0060 5.0060 5.0060 5.2175 5.2175 5.2175 5.2175 6.0997 6.0997 6.0997 6.0997 6.1903 6.1903 6.1903 6.1903 13.5217 13.5217 13.5217 13.5217 14.8270 14.8270 k = 0.2500 0.3361 0.3213 ( 2692 PWs) bands (ev): -17.8318 -17.8318 -17.8318 -17.8318 -17.6406 -17.6406 -17.6406 -17.6406 -1.4476 -1.4476 -1.4476 -1.4476 -0.5102 -0.5102 -0.5102 -0.5102 0.4555 0.4555 0.4555 0.4555 0.6941 0.6941 0.6941 0.6941 1.4652 1.4652 1.4652 1.4652 1.5367 1.5367 1.5367 1.5367 4.8673 4.8673 4.8673 4.8673 4.9989 4.9989 4.9989 4.9989 5.2255 5.2255 5.2255 5.2255 6.1055 6.1055 6.1055 6.1055 6.1892 6.1892 6.1892 6.1892 13.4780 13.4780 13.4780 13.4780 14.7642 14.7642 k = 0.2404 0.3361 0.3213 ( 2688 PWs) bands (ev): -17.8373 -17.8373 -17.8373 -17.8373 -17.6423 -17.6423 -17.6423 -17.6423 -1.4474 -1.4474 -1.4474 -1.4474 -0.4907 -0.4907 -0.4907 -0.4907 0.4836 0.4836 0.4836 0.4836 0.7104 0.7104 0.7104 0.7104 1.4419 1.4419 1.4419 1.4419 1.5268 1.5268 1.5268 1.5268 4.8568 4.8568 4.8568 4.8568 4.9918 4.9918 4.9918 4.9918 5.2337 5.2337 5.2337 5.2337 6.1082 6.1082 6.1082 6.1082 6.1913 6.1913 6.1913 6.1913 13.4347 13.4347 13.4347 13.4347 14.7024 14.7024 k = 0.2308 0.3361 0.3213 ( 2688 PWs) bands (ev): -17.8427 -17.8427 -17.8427 -17.8427 -17.6439 -17.6439 -17.6439 -17.6439 -1.4479 -1.4479 -1.4479 -1.4479 -0.4703 -0.4703 -0.4703 -0.4703 0.5129 0.5129 0.5129 0.5129 0.7252 0.7252 0.7252 0.7252 1.4191 1.4191 1.4191 1.4191 1.5170 1.5170 1.5170 1.5170 4.8462 4.8462 4.8462 4.8462 4.9845 4.9845 4.9845 4.9845 5.2419 5.2419 5.2419 5.2419 6.1074 6.1074 6.1074 6.1074 6.1967 6.1967 6.1967 6.1967 13.3918 13.3918 13.3918 13.3918 14.6414 14.6414 k = 0.2212 0.3361 0.3213 ( 2692 PWs) bands (ev): -17.8481 -17.8481 -17.8481 -17.8481 -17.6455 -17.6455 -17.6455 -17.6455 -1.4489 -1.4489 -1.4489 -1.4489 -0.4489 -0.4489 -0.4489 -0.4489 0.5429 0.5429 0.5429 0.5429 0.7380 0.7380 0.7380 0.7380 1.3971 1.3971 1.3971 1.3971 1.5074 1.5074 1.5074 1.5074 4.8355 4.8355 4.8355 4.8355 4.9771 4.9771 4.9771 4.9771 5.2501 5.2501 5.2501 5.2501 6.1034 6.1034 6.1034 6.1034 6.2053 6.2053 6.2053 6.2053 13.3496 13.3496 13.3496 13.3496 14.5815 14.5815 k = 0.2115 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.8534 -17.8534 -17.8534 -17.8534 -17.6471 -17.6471 -17.6471 -17.6471 -1.4504 -1.4504 -1.4504 -1.4504 -0.4266 -0.4266 -0.4266 -0.4266 0.5737 0.5737 0.5737 0.5737 0.7485 0.7485 0.7485 0.7485 1.3762 1.3762 1.3762 1.3762 1.4979 1.4979 1.4979 1.4979 4.8247 4.8247 4.8247 4.8247 4.9698 4.9698 4.9698 4.9698 5.2583 5.2583 5.2583 5.2583 6.0972 6.0972 6.0972 6.0972 6.2160 6.2160 6.2160 6.2160 13.3081 13.3081 13.3081 13.3081 14.5228 14.5228 k = 0.2019 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.8587 -17.8587 -17.8587 -17.8587 -17.6487 -17.6487 -17.6487 -17.6487 -1.4523 -1.4523 -1.4523 -1.4523 -0.4032 -0.4032 -0.4032 -0.4032 0.6050 0.6050 0.6050 0.6050 0.7565 0.7565 0.7565 0.7565 1.3569 1.3569 1.3569 1.3569 1.4886 1.4886 1.4886 1.4886 4.8138 4.8138 4.8138 4.8138 4.9625 4.9625 4.9625 4.9625 5.2664 5.2664 5.2664 5.2664 6.0893 6.0893 6.0893 6.0893 6.2284 6.2284 6.2284 6.2284 13.2675 13.2675 13.2675 13.2675 14.4654 14.4654 k = 0.1923 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.8638 -17.8638 -17.8638 -17.8638 -17.6502 -17.6502 -17.6502 -17.6502 -1.4547 -1.4547 -1.4547 -1.4547 -0.3790 -0.3790 -0.3790 -0.3790 0.6366 0.6366 0.6366 0.6366 0.7617 0.7617 0.7617 0.7617 1.3394 1.3394 1.3394 1.3394 1.4796 1.4796 1.4796 1.4796 4.8030 4.8030 4.8030 4.8030 4.9554 4.9554 4.9554 4.9554 5.2743 5.2743 5.2743 5.2743 6.0804 6.0804 6.0804 6.0804 6.2417 6.2417 6.2417 6.2417 13.2280 13.2280 13.2280 13.2280 14.4094 14.4094 k = 0.1827 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.8688 -17.8688 -17.8688 -17.8688 -17.6517 -17.6517 -17.6517 -17.6517 -1.4574 -1.4574 -1.4574 -1.4574 -0.3538 -0.3538 -0.3538 -0.3538 0.6681 0.6681 0.6681 0.6681 0.7638 0.7638 0.7638 0.7638 1.3241 1.3241 1.3241 1.3241 1.4708 1.4708 1.4708 1.4708 4.7921 4.7921 4.7921 4.7921 4.9483 4.9483 4.9483 4.9483 5.2821 5.2821 5.2821 5.2821 6.0708 6.0708 6.0708 6.0708 6.2556 6.2556 6.2556 6.2556 13.1895 13.1895 13.1895 13.1895 14.3549 14.3549 k = 0.1731 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.8737 -17.8737 -17.8737 -17.8737 -17.6532 -17.6532 -17.6532 -17.6532 -1.4605 -1.4605 -1.4605 -1.4605 -0.3277 -0.3277 -0.3277 -0.3277 0.6985 0.6985 0.6985 0.6985 0.7634 0.7634 0.7634 0.7634 1.3112 1.3112 1.3112 1.3112 1.4623 1.4623 1.4623 1.4623 4.7813 4.7813 4.7813 4.7813 4.9415 4.9415 4.9415 4.9415 5.2896 5.2896 5.2896 5.2896 6.0607 6.0607 6.0607 6.0607 6.2699 6.2699 6.2699 6.2699 13.1523 13.1523 13.1523 13.1523 14.3021 14.3021 k = 0.1635 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.8784 -17.8784 -17.8784 -17.8784 -17.6546 -17.6546 -17.6546 -17.6546 -1.4637 -1.4637 -1.4637 -1.4637 -0.3007 -0.3007 -0.3007 -0.3007 0.7242 0.7242 0.7242 0.7242 0.7638 0.7638 0.7638 0.7638 1.3010 1.3010 1.3010 1.3010 1.4541 1.4541 1.4541 1.4541 4.7706 4.7706 4.7706 4.7706 4.9348 4.9348 4.9348 4.9348 5.2970 5.2970 5.2970 5.2970 6.0503 6.0503 6.0503 6.0503 6.2843 6.2843 6.2843 6.2843 13.1164 13.1164 13.1164 13.1164 14.2512 14.2512 k = 0.1538 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.8830 -17.8830 -17.8830 -17.8830 -17.6560 -17.6560 -17.6560 -17.6560 -1.4672 -1.4672 -1.4672 -1.4672 -0.2729 -0.2729 -0.2729 -0.2729 0.7321 0.7321 0.7321 0.7321 0.7778 0.7778 0.7778 0.7778 1.2933 1.2933 1.2933 1.2933 1.4462 1.4462 1.4462 1.4462 4.7601 4.7601 4.7601 4.7601 4.9284 4.9284 4.9284 4.9284 5.3040 5.3040 5.3040 5.3040 6.0399 6.0399 6.0399 6.0399 6.2987 6.2987 6.2987 6.2987 13.0819 13.0819 13.0819 13.0819 14.2022 14.2022 k = 0.1442 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.8873 -17.8873 -17.8873 -17.8873 -17.6573 -17.6573 -17.6573 -17.6573 -1.4708 -1.4708 -1.4708 -1.4708 -0.2442 -0.2442 -0.2442 -0.2442 0.7230 0.7230 0.7230 0.7230 0.8044 0.8044 0.8044 0.8044 1.2881 1.2881 1.2881 1.2881 1.4387 1.4387 1.4387 1.4387 4.7497 4.7497 4.7497 4.7497 4.9222 4.9222 4.9222 4.9222 5.3107 5.3107 5.3107 5.3107 6.0294 6.0294 6.0294 6.0294 6.3130 6.3130 6.3130 6.3130 13.0491 13.0491 13.0491 13.0491 14.1553 14.1553 k = 0.1346 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.8915 -17.8915 -17.8915 -17.8915 -17.6585 -17.6585 -17.6585 -17.6585 -1.4744 -1.4744 -1.4744 -1.4744 -0.2148 -0.2148 -0.2148 -0.2148 0.7072 0.7072 0.7072 0.7072 0.8336 0.8336 0.8336 0.8336 1.2852 1.2852 1.2852 1.2852 1.4315 1.4315 1.4315 1.4315 4.7396 4.7396 4.7396 4.7396 4.9163 4.9163 4.9163 4.9163 5.3171 5.3171 5.3171 5.3171 6.0190 6.0190 6.0190 6.0190 6.3270 6.3270 6.3270 6.3270 13.0178 13.0178 13.0178 13.0178 14.1106 14.1106 k = 0.1250 0.3361 0.3213 ( 2692 PWs) bands (ev): -17.8954 -17.8954 -17.8954 -17.8954 -17.6597 -17.6597 -17.6597 -17.6597 -1.4781 -1.4781 -1.4781 -1.4781 -0.1845 -0.1845 -0.1845 -0.1845 0.6873 0.6873 0.6873 0.6873 0.8627 0.8627 0.8627 0.8627 1.2843 1.2843 1.2843 1.2843 1.4247 1.4247 1.4247 1.4247 4.7298 4.7298 4.7298 4.7298 4.9107 4.9107 4.9107 4.9107 5.3231 5.3231 5.3231 5.3231 6.0089 6.0089 6.0089 6.0089 6.3406 6.3406 6.3406 6.3406 12.9883 12.9883 12.9883 12.9883 14.0682 14.0682 k = 0.1154 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.8991 -17.8991 -17.8991 -17.8991 -17.6608 -17.6608 -17.6608 -17.6608 -1.4817 -1.4817 -1.4817 -1.4817 -0.1536 -0.1536 -0.1536 -0.1536 0.6642 0.6642 0.6642 0.6642 0.8909 0.8909 0.8909 0.8909 1.2850 1.2850 1.2850 1.2850 1.4183 1.4183 1.4183 1.4183 4.7204 4.7204 4.7204 4.7204 4.9055 4.9055 4.9055 4.9055 5.3288 5.3288 5.3288 5.3288 5.9991 5.9991 5.9991 5.9991 6.3537 6.3537 6.3537 6.3537 12.9607 12.9607 12.9607 12.9607 14.0284 14.0284 k = 0.1058 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.9025 -17.9025 -17.9025 -17.9025 -17.6619 -17.6619 -17.6619 -17.6619 -1.4852 -1.4852 -1.4852 -1.4852 -0.1220 -0.1220 -0.1220 -0.1220 0.6384 0.6384 0.6384 0.6384 0.9180 0.9180 0.9180 0.9180 1.2870 1.2870 1.2870 1.2870 1.4123 1.4123 1.4123 1.4123 4.7114 4.7114 4.7114 4.7114 4.9005 4.9005 4.9005 4.9005 5.3341 5.3341 5.3341 5.3341 5.9897 5.9897 5.9897 5.9897 6.3661 6.3661 6.3661 6.3661 12.9349 12.9349 12.9349 12.9349 13.9912 13.9912 k = 0.0962 0.3361 0.3213 ( 2692 PWs) bands (ev): -17.9057 -17.9057 -17.9057 -17.9057 -17.6628 -17.6628 -17.6628 -17.6628 -1.4886 -1.4886 -1.4886 -1.4886 -0.0897 -0.0897 -0.0897 -0.0897 0.6104 0.6104 0.6104 0.6104 0.9436 0.9436 0.9436 0.9436 1.2899 1.2899 1.2899 1.2899 1.4068 1.4068 1.4068 1.4068 4.7029 4.7029 4.7029 4.7029 4.8960 4.8960 4.8960 4.8960 5.3390 5.3390 5.3390 5.3390 5.9808 5.9808 5.9808 5.9808 6.3779 6.3779 6.3779 6.3779 12.9111 12.9111 12.9111 12.9111 13.9567 13.9567 k = 0.0865 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.9086 -17.9086 -17.9086 -17.9086 -17.6637 -17.6637 -17.6637 -17.6637 -1.4918 -1.4918 -1.4918 -1.4918 -0.0569 -0.0569 -0.0569 -0.0569 0.5806 0.5806 0.5806 0.5806 0.9675 0.9675 0.9675 0.9675 1.2934 1.2934 1.2934 1.2934 1.4018 1.4018 1.4018 1.4018 4.6949 4.6949 4.6949 4.6949 4.8918 4.8918 4.8918 4.8918 5.3434 5.3434 5.3434 5.3434 5.9725 5.9725 5.9725 5.9725 6.3888 6.3888 6.3888 6.3888 12.8894 12.8894 12.8894 12.8894 13.9252 13.9252 k = 0.0769 0.3361 0.3213 ( 2696 PWs) bands (ev): -17.9113 -17.9113 -17.9113 -17.9113 -17.6645 -17.6645 -17.6645 -17.6645 -1.4948 -1.4948 -1.4948 -1.4948 -0.0235 -0.0235 -0.0235 -0.0235 0.5494 0.5494 0.5494 0.5494 0.9895 0.9895 0.9895 0.9895 1.2972 1.2972 1.2972 1.2972 1.3972 1.3972 1.3972 1.3972 4.6876 4.6876 4.6876 4.6876 4.8881 4.8881 4.8881 4.8881 5.3474 5.3474 5.3474 5.3474 5.9648 5.9648 5.9648 5.9648 6.3989 6.3989 6.3989 6.3989 12.8698 12.8698 12.8698 12.8698 13.8966 13.8966 k = 0.0673 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.9136 -17.9136 -17.9136 -17.9136 -17.6652 -17.6652 -17.6652 -17.6652 -1.4975 -1.4975 -1.4975 -1.4975 0.0103 0.0103 0.0103 0.0103 0.5170 0.5170 0.5170 0.5170 1.0093 1.0093 1.0093 1.0093 1.3010 1.3010 1.3010 1.3010 1.3931 1.3931 1.3931 1.3931 4.6809 4.6809 4.6809 4.6809 4.8847 4.8847 4.8847 4.8847 5.3510 5.3510 5.3510 5.3510 5.9579 5.9579 5.9579 5.9579 6.4079 6.4079 6.4079 6.4079 12.8523 12.8523 12.8523 12.8523 13.8711 13.8711 k = 0.0577 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.9157 -17.9157 -17.9157 -17.9157 -17.6658 -17.6658 -17.6658 -17.6658 -1.4999 -1.4999 -1.4999 -1.4999 0.0444 0.0444 0.0444 0.0444 0.4838 0.4838 0.4838 0.4838 1.0269 1.0269 1.0269 1.0269 1.3047 1.3047 1.3047 1.3047 1.3895 1.3895 1.3895 1.3895 4.6750 4.6750 4.6750 4.6750 4.8818 4.8818 4.8818 4.8818 5.3541 5.3541 5.3541 5.3541 5.9517 5.9517 5.9517 5.9517 6.4160 6.4160 6.4160 6.4160 12.8371 12.8371 12.8371 12.8371 13.8488 13.8488 k = 0.0481 0.3361 0.3213 ( 2704 PWs) bands (ev): -17.9174 -17.9174 -17.9174 -17.9174 -17.6664 -17.6664 -17.6664 -17.6664 -1.5020 -1.5020 -1.5020 -1.5020 0.0787 0.0787 0.0787 0.0787 0.4500 0.4500 0.4500 0.4500 1.0421 1.0421 1.0421 1.0421 1.3081 1.3081 1.3081 1.3081 1.3864 1.3864 1.3864 1.3864 4.6698 4.6698 4.6698 4.6698 4.8793 4.8793 4.8793 4.8793 5.3567 5.3567 5.3567 5.3567 5.9464 5.9464 5.9464 5.9464 6.4229 6.4229 6.4229 6.4229 12.8241 12.8241 12.8241 12.8241 13.8297 13.8297 k = 0.0385 0.3361 0.3213 ( 2704 PWs) bands (ev): -17.9189 -17.9189 -17.9189 -17.9189 -17.6668 -17.6668 -17.6668 -17.6668 -1.5037 -1.5037 -1.5037 -1.5037 0.1130 0.1130 0.1130 0.1130 0.4159 0.4159 0.4159 0.4159 1.0547 1.0547 1.0547 1.0547 1.3111 1.3111 1.3111 1.3111 1.3838 1.3838 1.3838 1.3838 4.6656 4.6656 4.6656 4.6656 4.8772 4.8772 4.8772 4.8772 5.3589 5.3589 5.3589 5.3589 5.9420 5.9420 5.9420 5.9420 6.4286 6.4286 6.4286 6.4286 12.8135 12.8135 12.8135 12.8135 13.8141 13.8141 k = 0.0288 0.3361 0.3213 ( 2708 PWs) bands (ev): -17.9200 -17.9200 -17.9200 -17.9200 -17.6672 -17.6672 -17.6672 -17.6672 -1.5051 -1.5051 -1.5051 -1.5051 0.1468 0.1468 0.1468 0.1468 0.3823 0.3823 0.3823 0.3823 1.0646 1.0646 1.0646 1.0646 1.3135 1.3135 1.3135 1.3135 1.3819 1.3819 1.3819 1.3819 4.6622 4.6622 4.6622 4.6622 4.8756 4.8756 4.8756 4.8756 5.3606 5.3606 5.3606 5.3606 5.9386 5.9386 5.9386 5.9386 6.4331 6.4331 6.4331 6.4331 12.8052 12.8052 12.8052 12.8052 13.8018 13.8018 k = 0.0192 0.3361 0.3213 ( 2708 PWs) bands (ev): -17.9208 -17.9208 -17.9208 -17.9208 -17.6674 -17.6674 -17.6674 -17.6674 -1.5061 -1.5061 -1.5061 -1.5061 0.1791 0.1791 0.1791 0.1791 0.3500 0.3500 0.3500 0.3500 1.0718 1.0718 1.0718 1.0718 1.3152 1.3152 1.3152 1.3152 1.3804 1.3804 1.3804 1.3804 4.6598 4.6598 4.6598 4.6598 4.8745 4.8745 4.8745 4.8745 5.3618 5.3618 5.3618 5.3618 5.9361 5.9361 5.9361 5.9361 6.4364 6.4364 6.4364 6.4364 12.7992 12.7992 12.7992 12.7992 13.7930 13.7930 k = 0.0096 0.3361 0.3213 ( 2704 PWs) bands (ev): -17.9213 -17.9213 -17.9213 -17.9213 -17.6675 -17.6675 -17.6675 -17.6675 -1.5067 -1.5067 -1.5067 -1.5067 0.2067 0.2067 0.2067 0.2067 0.3224 0.3224 0.3224 0.3224 1.0761 1.0761 1.0761 1.0761 1.3163 1.3163 1.3163 1.3163 1.3796 1.3796 1.3796 1.3796 4.6583 4.6583 4.6583 4.6583 4.8738 4.8738 4.8738 4.8738 5.3625 5.3625 5.3625 5.3625 5.9346 5.9346 5.9346 5.9346 6.4383 6.4383 6.4383 6.4383 12.7956 12.7956 12.7956 12.7956 13.7877 13.7877 k = 0.0000 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.9215 -17.9215 -17.9215 -17.9215 -17.6676 -17.6676 -17.6676 -17.6676 -1.5069 -1.5069 -1.5069 -1.5069 0.2196 0.2196 0.2196 0.2196 0.3095 0.3095 0.3095 0.3095 1.0775 1.0775 1.0775 1.0775 1.3167 1.3167 1.3167 1.3167 1.3793 1.3793 1.3793 1.3793 4.6578 4.6578 4.6578 4.6578 4.8736 4.8736 4.8736 4.8736 5.3628 5.3628 5.3628 5.3628 5.9341 5.9341 5.9341 5.9341 6.4391 6.4391 6.4391 6.4391 12.7944 12.7944 12.7944 12.7944 13.7859 13.7859 k = 0.0000 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.9215 -17.9215 -17.9215 -17.9215 -17.6676 -17.6676 -17.6676 -17.6676 -1.5069 -1.5069 -1.5069 -1.5069 0.2196 0.2196 0.2196 0.2196 0.3095 0.3095 0.3095 0.3095 1.0775 1.0775 1.0775 1.0775 1.3167 1.3167 1.3167 1.3167 1.3793 1.3793 1.3793 1.3793 4.6578 4.6578 4.6578 4.6578 4.8736 4.8736 4.8736 4.8736 5.3628 5.3628 5.3628 5.3628 5.9341 5.9341 5.9341 5.9341 6.4391 6.4391 6.4391 6.4391 12.7944 12.7944 12.7944 12.7944 13.7859 13.7859 k = 0.0000 0.3265 0.3213 ( 2704 PWs) bands (ev): -17.9218 -17.9218 -17.9218 -17.9218 -17.6672 -17.6672 -17.6672 -17.6672 -1.5064 -1.5064 -1.5064 -1.5064 0.2197 0.2197 0.2197 0.2197 0.3089 0.3089 0.3089 0.3089 1.0774 1.0774 1.0774 1.0774 1.3072 1.3072 1.3072 1.3072 1.3885 1.3885 1.3885 1.3885 4.6583 4.6583 4.6583 4.6583 4.8739 4.8739 4.8739 4.8739 5.3626 5.3626 5.3626 5.3626 5.9344 5.9344 5.9344 5.9344 6.4388 6.4388 6.4388 6.4388 12.7869 12.7869 12.7869 12.7869 13.7945 13.7945 k = 0.0000 0.3169 0.3213 ( 2708 PWs) bands (ev): -17.9229 -17.9229 -17.9229 -17.9229 -17.6661 -17.6661 -17.6661 -17.6661 -1.5050 -1.5050 -1.5050 -1.5050 0.2197 0.2197 0.2197 0.2197 0.3073 0.3073 0.3073 0.3073 1.0771 1.0771 1.0771 1.0771 1.2869 1.2869 1.2869 1.2869 1.4079 1.4079 1.4079 1.4079 4.6598 4.6598 4.6598 4.6598 4.8747 4.8747 4.8747 4.8747 5.3623 5.3623 5.3623 5.3623 5.9356 5.9356 5.9356 5.9356 6.4381 6.4381 6.4381 6.4381 12.7651 12.7651 12.7651 12.7651 13.8194 13.8194 k = 0.0000 0.3073 0.3213 ( 2710 PWs) bands (ev): -17.9248 -17.9248 -17.9248 -17.9248 -17.6642 -17.6642 -17.6642 -17.6642 -1.5026 -1.5026 -1.5026 -1.5026 0.2199 0.2199 0.2199 0.2199 0.3046 0.3046 0.3046 0.3046 1.0764 1.0764 1.0764 1.0764 1.2629 1.2629 1.2629 1.2629 1.4305 1.4305 1.4305 1.4305 4.6623 4.6623 4.6623 4.6623 4.8761 4.8761 4.8761 4.8761 5.3619 5.3619 5.3619 5.3619 5.9375 5.9375 5.9375 5.9375 6.4369 6.4369 6.4369 6.4369 12.7310 12.7310 12.7310 12.7310 13.8588 13.8588 k = 0.0000 0.2977 0.3213 ( 2712 PWs) bands (ev): -17.9272 -17.9272 -17.9272 -17.9272 -17.6616 -17.6616 -17.6616 -17.6616 -1.4992 -1.4992 -1.4992 -1.4992 0.2200 0.2200 0.2200 0.2200 0.3008 0.3008 0.3008 0.3008 1.0755 1.0755 1.0755 1.0755 1.2375 1.2375 1.2375 1.2375 1.4541 1.4541 1.4541 1.4541 4.6658 4.6658 4.6658 4.6658 4.8781 4.8781 4.8781 4.8781 5.3612 5.3612 5.3612 5.3612 5.9401 5.9401 5.9401 5.9401 6.4353 6.4353 6.4353 6.4353 12.6870 12.6870 12.6870 12.6870 13.9101 13.9101 k = 0.0000 0.2881 0.3213 ( 2700 PWs) bands (ev): -17.9303 -17.9303 -17.9303 -17.9303 -17.6584 -17.6584 -17.6584 -17.6584 -1.4949 -1.4949 -1.4949 -1.4949 0.2203 0.2203 0.2203 0.2203 0.2961 0.2961 0.2961 0.2961 1.0744 1.0744 1.0744 1.0744 1.2113 1.2113 1.2113 1.2113 1.4780 1.4780 1.4780 1.4780 4.6702 4.6702 4.6702 4.6702 4.8806 4.8806 4.8806 4.8806 5.3605 5.3605 5.3605 5.3605 5.9436 5.9436 5.9436 5.9436 6.4333 6.4333 6.4333 6.4333 12.6357 12.6357 12.6357 12.6357 13.9708 13.9708 k = 0.0000 0.2785 0.3213 ( 2700 PWs) bands (ev): -17.9339 -17.9339 -17.9339 -17.9339 -17.6546 -17.6546 -17.6546 -17.6546 -1.4897 -1.4897 -1.4897 -1.4897 0.2206 0.2206 0.2206 0.2206 0.2904 0.2904 0.2904 0.2904 1.0728 1.0728 1.0728 1.0728 1.1846 1.1846 1.1846 1.1846 1.5020 1.5020 1.5020 1.5020 4.6754 4.6754 4.6754 4.6754 4.8836 4.8836 4.8836 4.8836 5.3595 5.3595 5.3595 5.3595 5.9478 5.9478 5.9478 5.9478 6.4308 6.4308 6.4308 6.4308 12.5791 12.5791 12.5791 12.5791 14.0390 14.0390 k = 0.0000 0.2689 0.3213 ( 2692 PWs) bands (ev): -17.9380 -17.9380 -17.9380 -17.9380 -17.6503 -17.6503 -17.6503 -17.6503 -1.4835 -1.4835 -1.4835 -1.4835 0.2209 0.2209 0.2209 0.2209 0.2837 0.2837 0.2837 0.2837 1.0708 1.0708 1.0708 1.0708 1.1579 1.1579 1.1579 1.1579 1.5259 1.5259 1.5259 1.5259 4.6814 4.6814 4.6814 4.6814 4.8872 4.8872 4.8872 4.8872 5.3584 5.3584 5.3584 5.3584 5.9527 5.9527 5.9527 5.9527 6.4279 6.4279 6.4279 6.4279 12.5188 12.5188 12.5188 12.5188 14.1129 14.1129 k = 0.0000 0.2593 0.3213 ( 2690 PWs) bands (ev): -17.9425 -17.9425 -17.9425 -17.9425 -17.6457 -17.6457 -17.6457 -17.6457 -1.4765 -1.4765 -1.4765 -1.4765 0.2213 0.2213 0.2213 0.2213 0.2761 0.2761 0.2761 0.2761 1.0678 1.0678 1.0678 1.0678 1.1315 1.1315 1.1315 1.1315 1.5497 1.5497 1.5497 1.5497 4.6881 4.6881 4.6881 4.6881 4.8911 4.8911 4.8911 4.8911 5.3570 5.3570 5.3570 5.3570 5.9584 5.9584 5.9584 5.9584 6.4246 6.4246 6.4246 6.4246 12.4561 12.4561 12.4561 12.4561 14.1914 14.1914 k = 0.0000 0.2497 0.3213 ( 2694 PWs) bands (ev): -17.9473 -17.9473 -17.9473 -17.9473 -17.6406 -17.6406 -17.6406 -17.6406 -1.4686 -1.4686 -1.4686 -1.4686 0.2216 0.2216 0.2216 0.2216 0.2678 0.2678 0.2678 0.2678 1.0628 1.0628 1.0628 1.0628 1.1067 1.1067 1.1067 1.1067 1.5733 1.5733 1.5733 1.5733 4.6954 4.6954 4.6954 4.6954 4.8955 4.8955 4.8955 4.8955 5.3555 5.3555 5.3555 5.3555 5.9648 5.9648 5.9648 5.9648 6.4209 6.4209 6.4209 6.4209 12.3921 12.3921 12.3921 12.3921 14.2735 14.2735 k = 0.0000 0.2401 0.3213 ( 2694 PWs) bands (ev): -17.9524 -17.9524 -17.9524 -17.9524 -17.6353 -17.6353 -17.6353 -17.6353 -1.4600 -1.4600 -1.4600 -1.4600 0.2220 0.2220 0.2220 0.2220 0.2586 0.2586 0.2586 0.2586 1.0520 1.0520 1.0520 1.0520 1.0874 1.0874 1.0874 1.0874 1.5967 1.5967 1.5967 1.5967 4.7032 4.7032 4.7032 4.7032 4.9003 4.9003 4.9003 4.9003 5.3538 5.3538 5.3538 5.3538 5.9719 5.9719 5.9719 5.9719 6.4169 6.4169 6.4169 6.4169 12.3274 12.3274 12.3274 12.3274 14.3584 14.3584 k = 0.0000 0.2305 0.3213 ( 2690 PWs) bands (ev): -17.9577 -17.9577 -17.9577 -17.9577 -17.6298 -17.6298 -17.6298 -17.6298 -1.4505 -1.4505 -1.4505 -1.4505 0.2223 0.2223 0.2223 0.2223 0.2489 0.2489 0.2489 0.2489 1.0321 1.0321 1.0321 1.0321 1.0769 1.0769 1.0769 1.0769 1.6198 1.6198 1.6198 1.6198 4.7115 4.7115 4.7115 4.7115 4.9054 4.9054 4.9054 4.9054 5.3520 5.3520 5.3520 5.3520 5.9796 5.9796 5.9796 5.9796 6.4125 6.4125 6.4125 6.4125 12.2626 12.2626 12.2626 12.2626 14.4456 14.4456 k = 0.0000 0.2208 0.3213 ( 2694 PWs) bands (ev): -17.9631 -17.9631 -17.9631 -17.9631 -17.6241 -17.6241 -17.6241 -17.6241 -1.4403 -1.4403 -1.4403 -1.4403 0.2224 0.2224 0.2224 0.2224 0.2388 0.2388 0.2388 0.2388 1.0068 1.0068 1.0068 1.0068 1.0717 1.0717 1.0717 1.0717 1.6427 1.6427 1.6427 1.6427 4.7201 4.7201 4.7201 4.7201 4.9108 4.9108 4.9108 4.9108 5.3500 5.3500 5.3500 5.3500 5.9881 5.9881 5.9881 5.9881 6.4078 6.4078 6.4078 6.4078 12.1983 12.1983 12.1983 12.1983 14.5346 14.5346 k = 0.0000 0.2112 0.3213 ( 2698 PWs) bands (ev): -17.9686 -17.9686 -17.9686 -17.9686 -17.6184 -17.6184 -17.6184 -17.6184 -1.4294 -1.4294 -1.4294 -1.4294 0.2210 0.2210 0.2210 0.2210 0.2296 0.2296 0.2296 0.2296 0.9797 0.9797 0.9797 0.9797 1.0682 1.0682 1.0682 1.0682 1.6652 1.6652 1.6652 1.6652 4.7289 4.7289 4.7289 4.7289 4.9164 4.9164 4.9164 4.9164 5.3479 5.3479 5.3479 5.3479 5.9971 5.9971 5.9971 5.9971 6.4028 6.4028 6.4028 6.4028 12.1347 12.1347 12.1347 12.1347 14.6251 14.6251 k = 0.0000 0.2016 0.3213 ( 2694 PWs) bands (ev): -17.9741 -17.9741 -17.9741 -17.9741 -17.6126 -17.6126 -17.6126 -17.6126 -1.4179 -1.4179 -1.4179 -1.4179 0.2133 0.2133 0.2133 0.2133 0.2262 0.2262 0.2262 0.2262 0.9521 0.9521 0.9521 0.9521 1.0653 1.0653 1.0653 1.0653 1.6873 1.6873 1.6873 1.6873 4.7380 4.7380 4.7380 4.7380 4.9223 4.9223 4.9223 4.9223 5.3457 5.3457 5.3457 5.3457 6.0067 6.0067 6.0067 6.0067 6.3976 6.3976 6.3976 6.3976 12.0722 12.0722 12.0722 12.0722 14.7168 14.7168 k = 0.0000 0.1920 0.3213 ( 2700 PWs) bands (ev): -17.9796 -17.9796 -17.9796 -17.9796 -17.6068 -17.6068 -17.6068 -17.6068 -1.4058 -1.4058 -1.4058 -1.4058 0.2018 0.2018 0.2018 0.2018 0.2261 0.2261 0.2261 0.2261 0.9245 0.9245 0.9245 0.9245 1.0627 1.0627 1.0627 1.0627 1.7090 1.7090 1.7090 1.7090 4.7471 4.7471 4.7471 4.7471 4.9283 4.9283 4.9283 4.9283 5.3433 5.3433 5.3433 5.3433 6.0168 6.0168 6.0168 6.0168 6.3922 6.3922 6.3922 6.3922 12.0110 12.0110 12.0110 12.0110 14.8095 14.8095 k = 0.0000 0.1824 0.3213 ( 2708 PWs) bands (ev): -17.9850 -17.9850 -17.9850 -17.9850 -17.6011 -17.6011 -17.6011 -17.6011 -1.3932 -1.3932 -1.3932 -1.3932 0.1895 0.1895 0.1895 0.1895 0.2264 0.2264 0.2264 0.2264 0.8971 0.8971 0.8971 0.8971 1.0602 1.0602 1.0602 1.0602 1.7302 1.7302 1.7302 1.7302 4.7561 4.7561 4.7561 4.7561 4.9345 4.9345 4.9345 4.9345 5.3408 5.3408 5.3408 5.3408 6.0274 6.0274 6.0274 6.0274 6.3866 6.3866 6.3866 6.3866 11.9514 11.9514 11.9514 11.9514 14.9028 14.9028 k = 0.0000 0.1728 0.3213 ( 2712 PWs) bands (ev): -17.9904 -17.9904 -17.9904 -17.9904 -17.5954 -17.5954 -17.5954 -17.5954 -1.3802 -1.3802 -1.3802 -1.3802 0.1767 0.1767 0.1767 0.1767 0.2269 0.2269 0.2269 0.2269 0.8701 0.8701 0.8701 0.8701 1.0578 1.0578 1.0578 1.0578 1.7508 1.7508 1.7508 1.7508 4.7652 4.7652 4.7652 4.7652 4.9407 4.9407 4.9407 4.9407 5.3383 5.3383 5.3383 5.3383 6.0383 6.0383 6.0383 6.0383 6.3809 6.3809 6.3809 6.3809 11.8936 11.8936 11.8936 11.8936 14.9965 14.9965 k = 0.0000 0.1632 0.3213 ( 2712 PWs) bands (ev): -17.9956 -17.9956 -17.9956 -17.9956 -17.5899 -17.5899 -17.5899 -17.5899 -1.3668 -1.3668 -1.3668 -1.3668 0.1635 0.1635 0.1635 0.1635 0.2275 0.2275 0.2275 0.2275 0.8437 0.8437 0.8437 0.8437 1.0554 1.0554 1.0554 1.0554 1.7708 1.7708 1.7708 1.7708 4.7740 4.7740 4.7740 4.7740 4.9470 4.9470 4.9470 4.9470 5.3358 5.3358 5.3358 5.3358 6.0495 6.0495 6.0495 6.0495 6.3751 6.3751 6.3751 6.3751 11.8379 11.8379 11.8379 11.8379 15.0905 15.0905 k = 0.0000 0.1536 0.3213 ( 2704 PWs) bands (ev): -18.0006 -18.0006 -18.0006 -18.0006 -17.5845 -17.5845 -17.5845 -17.5845 -1.3531 -1.3531 -1.3531 -1.3531 0.1501 0.1501 0.1501 0.1501 0.2281 0.2281 0.2281 0.2281 0.8181 0.8181 0.8181 0.8181 1.0531 1.0531 1.0531 1.0531 1.7902 1.7902 1.7902 1.7902 4.7826 4.7826 4.7826 4.7826 4.9533 4.9533 4.9533 4.9533 5.3332 5.3332 5.3332 5.3332 6.0610 6.0610 6.0610 6.0610 6.3693 6.3693 6.3693 6.3693 11.7842 11.7842 11.7842 11.7842 15.1845 15.1845 k = 0.0000 0.1440 0.3213 ( 2704 PWs) bands (ev): -18.0055 -18.0055 -18.0055 -18.0055 -17.5794 -17.5794 -17.5794 -17.5794 -1.3393 -1.3393 -1.3393 -1.3393 0.1366 0.1366 0.1366 0.1366 0.2288 0.2288 0.2288 0.2288 0.7933 0.7933 0.7933 0.7933 1.0509 1.0509 1.0509 1.0509 1.8088 1.8088 1.8088 1.8088 4.7910 4.7910 4.7910 4.7910 4.9595 4.9595 4.9595 4.9595 5.3306 5.3306 5.3306 5.3306 6.0725 6.0725 6.0725 6.0725 6.3635 6.3635 6.3635 6.3635 11.7330 11.7330 11.7330 11.7330 15.2783 15.2783 k = 0.0000 0.1344 0.3213 ( 2708 PWs) bands (ev): -18.0102 -18.0102 -18.0102 -18.0102 -17.5744 -17.5744 -17.5744 -17.5744 -1.3254 -1.3254 -1.3254 -1.3254 0.1230 0.1230 0.1230 0.1230 0.2293 0.2293 0.2293 0.2293 0.7696 0.7696 0.7696 0.7696 1.0487 1.0487 1.0487 1.0487 1.8266 1.8266 1.8266 1.8266 4.7989 4.7989 4.7989 4.7989 4.9655 4.9655 4.9655 4.9655 5.3280 5.3280 5.3280 5.3280 6.0840 6.0840 6.0840 6.0840 6.3578 6.3578 6.3578 6.3578 11.6842 11.6842 11.6842 11.6842 15.3715 15.3715 k = 0.0000 0.1248 0.3213 ( 2704 PWs) bands (ev): -18.0146 -18.0146 -18.0146 -18.0146 -17.5697 -17.5697 -17.5697 -17.5697 -1.3115 -1.3115 -1.3115 -1.3115 0.1095 0.1095 0.1095 0.1095 0.2299 0.2299 0.2299 0.2299 0.7470 0.7470 0.7470 0.7470 1.0466 1.0466 1.0466 1.0466 1.8435 1.8435 1.8435 1.8435 4.8065 4.8065 4.8065 4.8065 4.9714 4.9714 4.9714 4.9714 5.3256 5.3256 5.3256 5.3256 6.0954 6.0954 6.0954 6.0954 6.3521 6.3521 6.3521 6.3521 11.6381 11.6381 11.6381 11.6381 15.4640 15.4640 k = 0.0000 0.1152 0.3213 ( 2696 PWs) bands (ev): -18.0188 -18.0188 -18.0188 -18.0188 -17.5652 -17.5652 -17.5652 -17.5652 -1.2979 -1.2979 -1.2979 -1.2979 0.0961 0.0961 0.0961 0.0961 0.2305 0.2305 0.2305 0.2305 0.7257 0.7257 0.7257 0.7257 1.0446 1.0446 1.0446 1.0446 1.8595 1.8595 1.8595 1.8595 4.8136 4.8136 4.8136 4.8136 4.9771 4.9771 4.9771 4.9771 5.3232 5.3232 5.3232 5.3232 6.1066 6.1066 6.1066 6.1066 6.3466 6.3466 6.3466 6.3466 11.5947 11.5947 11.5947 11.5947 15.5553 15.5553 k = 0.0000 0.1056 0.3213 ( 2700 PWs) bands (ev): -18.0227 -18.0227 -18.0227 -18.0227 -17.5611 -17.5611 -17.5611 -17.5611 -1.2845 -1.2845 -1.2845 -1.2845 0.0830 0.0830 0.0830 0.0830 0.2311 0.2311 0.2311 0.2311 0.7057 0.7057 0.7057 0.7057 1.0426 1.0426 1.0426 1.0426 1.8744 1.8744 1.8744 1.8744 4.8202 4.8202 4.8202 4.8202 4.9825 4.9825 4.9825 4.9825 5.3209 5.3209 5.3209 5.3209 6.1174 6.1174 6.1174 6.1174 6.3413 6.3413 6.3413 6.3413 11.5543 11.5543 11.5543 11.5543 15.6449 15.6449 k = 0.0000 0.0960 0.3213 ( 2698 PWs) bands (ev): -18.0263 -18.0263 -18.0263 -18.0263 -17.5572 -17.5572 -17.5572 -17.5572 -1.2716 -1.2716 -1.2716 -1.2716 0.0703 0.0703 0.0703 0.0703 0.2316 0.2316 0.2316 0.2316 0.6872 0.6872 0.6872 0.6872 1.0409 1.0409 1.0409 1.0409 1.8883 1.8883 1.8883 1.8883 4.8262 4.8262 4.8262 4.8262 4.9877 4.9877 4.9877 4.9877 5.3187 5.3187 5.3187 5.3187 6.1277 6.1277 6.1277 6.1277 6.3363 6.3363 6.3363 6.3363 11.5169 11.5169 11.5169 11.5169 15.7326 15.7326 k = 0.0000 0.0864 0.3213 ( 2698 PWs) bands (ev): -18.0296 -18.0296 -18.0296 -18.0296 -17.5537 -17.5537 -17.5537 -17.5537 -1.2593 -1.2593 -1.2593 -1.2593 0.0582 0.0582 0.0582 0.0582 0.2321 0.2321 0.2321 0.2321 0.6703 0.6703 0.6703 0.6703 1.0392 1.0392 1.0392 1.0392 1.9011 1.9011 1.9011 1.9011 4.8318 4.8318 4.8318 4.8318 4.9925 4.9925 4.9925 4.9925 5.3167 5.3167 5.3167 5.3167 6.1375 6.1375 6.1375 6.1375 6.3315 6.3315 6.3315 6.3315 11.4827 11.4827 11.4827 11.4827 15.8175 15.8175 k = 0.0000 0.0768 0.3213 ( 2702 PWs) bands (ev): -18.0326 -18.0326 -18.0326 -18.0326 -17.5505 -17.5505 -17.5505 -17.5505 -1.2478 -1.2478 -1.2478 -1.2478 0.0467 0.0467 0.0467 0.0467 0.2325 0.2325 0.2325 0.2325 0.6550 0.6550 0.6550 0.6550 1.0377 1.0377 1.0377 1.0377 1.9127 1.9127 1.9127 1.9127 4.8367 4.8367 4.8367 4.8367 4.9969 4.9969 4.9969 4.9969 5.3148 5.3148 5.3148 5.3148 6.1467 6.1467 6.1467 6.1467 6.3270 6.3270 6.3270 6.3270 11.4518 11.4518 11.4518 11.4518 15.8990 15.8990 k = 0.0000 0.0672 0.3213 ( 2700 PWs) bands (ev): -18.0353 -18.0353 -18.0353 -18.0353 -17.5476 -17.5476 -17.5476 -17.5476 -1.2371 -1.2371 -1.2371 -1.2371 0.0361 0.0361 0.0361 0.0361 0.2330 0.2330 0.2330 0.2330 0.6414 0.6414 0.6414 0.6414 1.0363 1.0363 1.0363 1.0363 1.9230 1.9230 1.9230 1.9230 4.8411 4.8411 4.8411 4.8411 5.0009 5.0009 5.0009 5.0009 5.3131 5.3131 5.3131 5.3131 6.1550 6.1550 6.1550 6.1550 6.3230 6.3230 6.3230 6.3230 11.4243 11.4243 11.4243 11.4243 15.9762 15.9762 k = 0.0000 0.0576 0.3213 ( 2700 PWs) bands (ev): -18.0376 -18.0376 -18.0376 -18.0376 -17.5451 -17.5451 -17.5451 -17.5451 -1.2275 -1.2275 -1.2275 -1.2275 0.0266 0.0266 0.0266 0.0266 0.2333 0.2333 0.2333 0.2333 0.6295 0.6295 0.6295 0.6295 1.0351 1.0351 1.0351 1.0351 1.9321 1.9321 1.9321 1.9321 4.8449 4.8449 4.8449 4.8449 5.0044 5.0044 5.0044 5.0044 5.3116 5.3116 5.3116 5.3116 6.1625 6.1625 6.1625 6.1625 6.3194 6.3194 6.3194 6.3194 11.4002 11.4002 11.4002 11.4002 16.0480 16.0480 k = 0.0000 0.0480 0.3213 ( 2700 PWs) bands (ev): -18.0396 -18.0396 -18.0396 -18.0396 -17.5430 -17.5430 -17.5430 -17.5430 -1.2191 -1.2191 -1.2191 -1.2191 0.0181 0.0181 0.0181 0.0181 0.2336 0.2336 0.2336 0.2336 0.6193 0.6193 0.6193 0.6193 1.0340 1.0340 1.0340 1.0340 1.9399 1.9399 1.9399 1.9399 4.8482 4.8482 4.8482 4.8482 5.0075 5.0075 5.0075 5.0075 5.3104 5.3104 5.3104 5.3104 6.1690 6.1690 6.1690 6.1690 6.3162 6.3162 6.3162 6.3162 11.3797 11.3797 11.3797 11.3797 16.1130 16.1130 k = 0.0000 0.0384 0.3213 ( 2696 PWs) bands (ev): -18.0412 -18.0412 -18.0412 -18.0412 -17.5412 -17.5412 -17.5412 -17.5412 -1.2120 -1.2120 -1.2120 -1.2120 0.0110 0.0110 0.0110 0.0110 0.2339 0.2339 0.2339 0.2339 0.6110 0.6110 0.6110 0.6110 1.0332 1.0332 1.0332 1.0332 1.9463 1.9463 1.9463 1.9463 4.8508 4.8508 4.8508 4.8508 5.0100 5.0100 5.0100 5.0100 5.3093 5.3093 5.3093 5.3093 6.1744 6.1744 6.1744 6.1744 6.3136 6.3136 6.3136 6.3136 11.3628 11.3628 11.3628 11.3628 16.1697 16.1697 k = 0.0000 0.0288 0.3213 ( 2700 PWs) bands (ev): -18.0425 -18.0425 -18.0425 -18.0425 -17.5398 -17.5398 -17.5398 -17.5398 -1.2064 -1.2064 -1.2064 -1.2064 0.0053 0.0053 0.0053 0.0053 0.2341 0.2341 0.2341 0.2341 0.6045 0.6045 0.6045 0.6045 1.0325 1.0325 1.0325 1.0325 1.9513 1.9513 1.9513 1.9513 4.8529 4.8529 4.8529 4.8529 5.0120 5.0120 5.0120 5.0120 5.3085 5.3085 5.3085 5.3085 6.1787 6.1787 6.1787 6.1787 6.3115 6.3115 6.3115 6.3115 11.3496 11.3496 11.3496 11.3496 16.2165 16.2165 k = 0.0000 0.0192 0.3213 ( 2696 PWs) bands (ev): -18.0434 -18.0434 -18.0434 -18.0434 -17.5388 -17.5388 -17.5388 -17.5388 -1.2023 -1.2023 -1.2023 -1.2023 0.0012 0.0012 0.0012 0.0012 0.2342 0.2342 0.2342 0.2342 0.5999 0.5999 0.5999 0.5999 1.0320 1.0320 1.0320 1.0320 1.9548 1.9548 1.9548 1.9548 4.8544 4.8544 4.8544 4.8544 5.0135 5.0135 5.0135 5.0135 5.3079 5.3079 5.3079 5.3079 6.1819 6.1819 6.1819 6.1819 6.3099 6.3099 6.3099 6.3099 11.3401 11.3401 11.3401 11.3401 16.2515 16.2515 k = 0.0000 0.0096 0.3213 ( 2692 PWs) bands (ev): -18.0440 -18.0440 -18.0440 -18.0440 -17.5382 -17.5382 -17.5382 -17.5382 -1.1998 -1.1998 -1.1998 -1.1998 -0.0014 -0.0014 -0.0014 -0.0014 0.2343 0.2343 0.2343 0.2343 0.5971 0.5971 0.5971 0.5971 1.0317 1.0317 1.0317 1.0317 1.9570 1.9570 1.9570 1.9570 4.8553 4.8553 4.8553 4.8553 5.0143 5.0143 5.0143 5.0143 5.3076 5.3076 5.3076 5.3076 6.1838 6.1838 6.1838 6.1838 6.3090 6.3090 6.3090 6.3090 11.3345 11.3345 11.3345 11.3345 16.2732 16.2732 k = 0.0000 0.0000 0.3213 ( 2696 PWs) bands (ev): -18.0442 -18.0442 -18.0442 -18.0442 -17.5380 -17.5380 -17.5380 -17.5380 -1.1989 -1.1989 -1.1989 -1.1989 -0.0022 -0.0022 -0.0022 -0.0022 0.2344 0.2344 0.2344 0.2344 0.5961 0.5961 0.5961 0.5961 1.0316 1.0316 1.0316 1.0316 1.9577 1.9577 1.9577 1.9577 4.8555 4.8555 4.8555 4.8555 5.0146 5.0146 5.0146 5.0146 5.3074 5.3074 5.3074 5.3074 6.1844 6.1844 6.1844 6.1844 6.3087 6.3087 6.3087 6.3087 11.3326 11.3326 11.3326 11.3326 16.2806 16.2806 k = 0.0000 0.3361-0.0000 ( 2672 PWs) bands (ev): -18.0140 -18.0140 -18.0140 -18.0140 -17.5695 -17.5695 -17.5695 -17.5695 -1.3046 -1.3046 -1.3046 -1.3046 0.0921 0.0921 0.0921 0.0921 0.2331 0.2331 0.2331 0.2331 0.5807 0.5807 0.5807 0.5807 1.0363 1.0363 1.0363 1.0363 2.0061 2.0061 2.0061 2.0061 4.8647 4.8647 4.8647 4.8647 5.0116 5.0116 5.0116 5.0116 5.3080 5.3080 5.3080 5.3080 6.2273 6.2273 6.2273 6.2273 6.3083 6.3083 6.3083 6.3083 11.4158 11.4158 11.4158 11.4158 15.5622 15.5622 k = 0.0000 0.3361 0.0097 ( 2678 PWs) bands (ev): -18.0138 -18.0138 -18.0138 -18.0138 -17.5697 -17.5697 -17.5697 -17.5697 -1.3051 -1.3051 -1.3051 -1.3051 0.0924 0.0924 0.0924 0.0924 0.2331 0.2331 0.2331 0.2331 0.5821 0.5821 0.5821 0.5821 1.0363 1.0363 1.0363 1.0363 2.0052 2.0052 2.0052 2.0052 4.8643 4.8643 4.8643 4.8643 5.0112 5.0112 5.0112 5.0112 5.3081 5.3081 5.3081 5.3081 6.2264 6.2264 6.2264 6.2264 6.3086 6.3086 6.3086 6.3086 11.4180 11.4180 11.4180 11.4180 15.5582 15.5582 k = 0.0000 0.3361 0.0195 ( 2680 PWs) bands (ev): -18.0133 -18.0133 -18.0133 -18.0133 -17.5702 -17.5702 -17.5702 -17.5702 -1.3067 -1.3067 -1.3067 -1.3067 0.0934 0.0934 0.0934 0.0934 0.2330 0.2330 0.2330 0.2330 0.5860 0.5860 0.5860 0.5860 1.0366 1.0366 1.0366 1.0366 2.0025 2.0025 2.0025 2.0025 4.8632 4.8632 4.8632 4.8632 5.0103 5.0103 5.0103 5.0103 5.3085 5.3085 5.3085 5.3085 6.2240 6.2240 6.2240 6.2240 6.3096 6.3096 6.3096 6.3096 11.4244 11.4244 11.4244 11.4244 15.5462 15.5462 k = 0.0000 0.3361 0.0292 ( 2678 PWs) bands (ev): -18.0125 -18.0125 -18.0125 -18.0125 -17.5711 -17.5711 -17.5711 -17.5711 -1.3094 -1.3094 -1.3094 -1.3094 0.0951 0.0951 0.0951 0.0951 0.2329 0.2329 0.2329 0.2329 0.5924 0.5924 0.5924 0.5924 1.0371 1.0371 1.0371 1.0371 1.9980 1.9980 1.9980 1.9980 4.8614 4.8614 4.8614 4.8614 5.0087 5.0087 5.0087 5.0087 5.3092 5.3092 5.3092 5.3092 6.2199 6.2199 6.2199 6.2199 6.3114 6.3114 6.3114 6.3114 11.4351 11.4351 11.4351 11.4351 15.5264 15.5264 k = 0.0000 0.3361 0.0389 ( 2678 PWs) bands (ev): -18.0114 -18.0114 -18.0114 -18.0114 -17.5723 -17.5723 -17.5723 -17.5723 -1.3130 -1.3130 -1.3130 -1.3130 0.0975 0.0975 0.0975 0.0975 0.2327 0.2327 0.2327 0.2327 0.6014 0.6014 0.6014 0.6014 1.0378 1.0378 1.0378 1.0378 1.9917 1.9917 1.9917 1.9917 4.8588 4.8588 4.8588 4.8588 5.0065 5.0065 5.0065 5.0065 5.3102 5.3102 5.3102 5.3102 6.2144 6.2144 6.2144 6.2144 6.3138 6.3138 6.3138 6.3138 11.4499 11.4499 11.4499 11.4499 15.4994 15.4994 k = 0.0000 0.3361 0.0487 ( 2690 PWs) bands (ev): -18.0100 -18.0100 -18.0100 -18.0100 -17.5739 -17.5739 -17.5739 -17.5739 -1.3177 -1.3177 -1.3177 -1.3177 0.1005 0.1005 0.1005 0.1005 0.2324 0.2324 0.2324 0.2324 0.6127 0.6127 0.6127 0.6127 1.0387 1.0387 1.0387 1.0387 1.9838 1.9838 1.9838 1.9838 4.8554 4.8554 4.8554 4.8554 5.0037 5.0037 5.0037 5.0037 5.3113 5.3113 5.3113 5.3113 6.2073 6.2073 6.2073 6.2073 6.3167 6.3167 6.3167 6.3167 11.4689 11.4689 11.4689 11.4689 15.4655 15.4655 k = 0.0000 0.3361 0.0584 ( 2690 PWs) bands (ev): -18.0082 -18.0082 -18.0082 -18.0082 -17.5758 -17.5758 -17.5758 -17.5758 -1.3232 -1.3232 -1.3232 -1.3232 0.1043 0.1043 0.1043 0.1043 0.2321 0.2321 0.2321 0.2321 0.6264 0.6264 0.6264 0.6264 1.0398 1.0398 1.0398 1.0398 1.9741 1.9741 1.9741 1.9741 4.8514 4.8514 4.8514 4.8514 5.0004 5.0004 5.0004 5.0004 5.3128 5.3128 5.3128 5.3128 6.1990 6.1990 6.1990 6.1990 6.3203 6.3203 6.3203 6.3203 11.4919 11.4919 11.4919 11.4919 15.4254 15.4254 k = 0.0000 0.3361 0.0682 ( 2698 PWs) bands (ev): -18.0061 -18.0061 -18.0061 -18.0061 -17.5780 -17.5780 -17.5780 -17.5780 -1.3295 -1.3295 -1.3295 -1.3295 0.1087 0.1087 0.1087 0.1087 0.2317 0.2317 0.2317 0.2317 0.6421 0.6421 0.6421 0.6421 1.0410 1.0410 1.0410 1.0410 1.9628 1.9628 1.9628 1.9628 4.8466 4.8466 4.8466 4.8466 4.9965 4.9965 4.9965 4.9965 5.3144 5.3144 5.3144 5.3144 6.1894 6.1894 6.1894 6.1894 6.3243 6.3243 6.3243 6.3243 11.5188 11.5188 11.5188 11.5188 15.3797 15.3797 k = 0.0000 0.3361 0.0779 ( 2700 PWs) bands (ev): -18.0038 -18.0038 -18.0038 -18.0038 -17.5805 -17.5805 -17.5805 -17.5805 -1.3366 -1.3366 -1.3366 -1.3366 0.1139 0.1139 0.1139 0.1139 0.2313 0.2313 0.2313 0.2313 0.6599 0.6599 0.6599 0.6599 1.0424 1.0424 1.0424 1.0424 1.9499 1.9499 1.9499 1.9499 4.8411 4.8411 4.8411 4.8411 4.9922 4.9922 4.9922 4.9922 5.3162 5.3162 5.3162 5.3162 6.1788 6.1788 6.1788 6.1788 6.3288 6.3288 6.3288 6.3288 11.5495 11.5495 11.5495 11.5495 15.3290 15.3290 k = 0.0000 0.3361 0.0876 ( 2698 PWs) bands (ev): -18.0012 -18.0012 -18.0012 -18.0012 -17.5833 -17.5833 -17.5833 -17.5833 -1.3443 -1.3443 -1.3443 -1.3443 0.1199 0.1199 0.1199 0.1199 0.2308 0.2308 0.2308 0.2308 0.6795 0.6795 0.6795 0.6795 1.0439 1.0439 1.0439 1.0439 1.9355 1.9355 1.9355 1.9355 4.8351 4.8351 4.8351 4.8351 4.9874 4.9874 4.9874 4.9874 5.3183 5.3183 5.3183 5.3183 6.1673 6.1673 6.1673 6.1673 6.3337 6.3337 6.3337 6.3337 11.5839 11.5839 11.5839 11.5839 15.2739 15.2739 k = 0.0000 0.3361 0.0974 ( 2710 PWs) bands (ev): -17.9983 -17.9983 -17.9983 -17.9983 -17.5864 -17.5864 -17.5864 -17.5864 -1.3526 -1.3526 -1.3526 -1.3526 0.1265 0.1265 0.1265 0.1265 0.2303 0.2303 0.2303 0.2303 0.7007 0.7007 0.7007 0.7007 1.0456 1.0456 1.0456 1.0456 1.9197 1.9197 1.9197 1.9197 4.8283 4.8283 4.8283 4.8283 4.9822 4.9822 4.9822 4.9822 5.3205 5.3205 5.3205 5.3205 6.1548 6.1548 6.1548 6.1548 6.3389 6.3389 6.3389 6.3389 11.6217 11.6217 11.6217 11.6217 15.2149 15.2149 k = 0.0000 0.3361 0.1071 ( 2710 PWs) bands (ev): -17.9951 -17.9951 -17.9951 -17.9951 -17.5898 -17.5898 -17.5898 -17.5898 -1.3614 -1.3614 -1.3614 -1.3614 0.1338 0.1338 0.1338 0.1338 0.2298 0.2298 0.2298 0.2298 0.7235 0.7235 0.7235 0.7235 1.0474 1.0474 1.0474 1.0474 1.9025 1.9025 1.9025 1.9025 4.8209 4.8209 4.8209 4.8209 4.9767 4.9767 4.9767 4.9767 5.3229 5.3229 5.3229 5.3229 6.1418 6.1418 6.1418 6.1418 6.3445 6.3445 6.3445 6.3445 11.6630 11.6630 11.6630 11.6630 15.1526 15.1526 k = 0.0000 0.3361 0.1168 ( 2710 PWs) bands (ev): -17.9917 -17.9917 -17.9917 -17.9917 -17.5934 -17.5934 -17.5934 -17.5934 -1.3705 -1.3705 -1.3705 -1.3705 0.1417 0.1417 0.1417 0.1417 0.2292 0.2292 0.2292 0.2292 0.7476 0.7476 0.7476 0.7476 1.0494 1.0494 1.0494 1.0494 1.8840 1.8840 1.8840 1.8840 4.8130 4.8130 4.8130 4.8130 4.9709 4.9709 4.9709 4.9709 5.3254 5.3254 5.3254 5.3254 6.1282 6.1282 6.1282 6.1282 6.3502 6.3502 6.3502 6.3502 11.7074 11.7074 11.7074 11.7074 15.0874 15.0874 k = 0.0000 0.3361 0.1266 ( 2710 PWs) bands (ev): -17.9881 -17.9881 -17.9881 -17.9881 -17.5973 -17.5973 -17.5973 -17.5973 -1.3798 -1.3798 -1.3798 -1.3798 0.1502 0.1502 0.1502 0.1502 0.2287 0.2287 0.2287 0.2287 0.7728 0.7728 0.7728 0.7728 1.0514 1.0514 1.0514 1.0514 1.8643 1.8643 1.8643 1.8643 4.8046 4.8046 4.8046 4.8046 4.9648 4.9648 4.9648 4.9648 5.3280 5.3280 5.3280 5.3280 6.1143 6.1143 6.1143 6.1143 6.3562 6.3562 6.3562 6.3562 11.7548 11.7548 11.7548 11.7548 15.0198 15.0198 k = 0.0000 0.3361 0.1363 ( 2708 PWs) bands (ev): -17.9843 -17.9843 -17.9843 -17.9843 -17.6013 -17.6013 -17.6013 -17.6013 -1.3894 -1.3894 -1.3894 -1.3894 0.1593 0.1593 0.1593 0.1593 0.2281 0.2281 0.2281 0.2281 0.7991 0.7991 0.7991 0.7991 1.0535 1.0535 1.0535 1.0535 1.8435 1.8435 1.8435 1.8435 4.7958 4.7958 4.7958 4.7958 4.9585 4.9585 4.9585 4.9585 5.3307 5.3307 5.3307 5.3307 6.1002 6.1002 6.1002 6.1002 6.3623 6.3623 6.3623 6.3623 11.8049 11.8049 11.8049 11.8049 14.9500 14.9500 k = 0.0000 0.3361 0.1460 ( 2708 PWs) bands (ev): -17.9803 -17.9803 -17.9803 -17.9803 -17.6056 -17.6056 -17.6056 -17.6056 -1.3990 -1.3990 -1.3990 -1.3990 0.1688 0.1688 0.1688 0.1688 0.2275 0.2275 0.2275 0.2275 0.8262 0.8262 0.8262 0.8262 1.0557 1.0557 1.0557 1.0557 1.8217 1.8217 1.8217 1.8217 4.7866 4.7866 4.7866 4.7866 4.9521 4.9521 4.9521 4.9521 5.3334 5.3334 5.3334 5.3334 6.0860 6.0860 6.0860 6.0860 6.3685 6.3685 6.3685 6.3685 11.8577 11.8577 11.8577 11.8577 14.8786 14.8786 k = 0.0000 0.3361 0.1558 ( 2700 PWs) bands (ev): -17.9762 -17.9762 -17.9762 -17.9762 -17.6099 -17.6099 -17.6099 -17.6099 -1.4086 -1.4086 -1.4086 -1.4086 0.1787 0.1787 0.1787 0.1787 0.2270 0.2270 0.2270 0.2270 0.8539 0.8539 0.8539 0.8539 1.0580 1.0580 1.0580 1.0580 1.7990 1.7990 1.7990 1.7990 4.7771 4.7771 4.7771 4.7771 4.9457 4.9457 4.9457 4.9457 5.3361 5.3361 5.3361 5.3361 6.0719 6.0719 6.0719 6.0719 6.3746 6.3746 6.3746 6.3746 11.9128 11.9128 11.9128 11.9128 14.8058 14.8058 k = 0.0000 0.3361 0.1655 ( 2704 PWs) bands (ev): -17.9720 -17.9720 -17.9720 -17.9720 -17.6145 -17.6145 -17.6145 -17.6145 -1.4182 -1.4182 -1.4182 -1.4182 0.1889 0.1889 0.1889 0.1889 0.2264 0.2264 0.2264 0.2264 0.8822 0.8822 0.8822 0.8822 1.0603 1.0603 1.0603 1.0603 1.7754 1.7754 1.7754 1.7754 4.7673 4.7673 4.7673 4.7673 4.9392 4.9392 4.9392 4.9392 5.3388 5.3388 5.3388 5.3388 6.0580 6.0580 6.0580 6.0580 6.3808 6.3808 6.3808 6.3808 11.9701 11.9701 11.9701 11.9701 14.7319 14.7319 k = 0.0000 0.3361 0.1752 ( 2704 PWs) bands (ev): -17.9676 -17.9676 -17.9676 -17.9676 -17.6190 -17.6190 -17.6190 -17.6190 -1.4276 -1.4276 -1.4276 -1.4276 0.1993 0.1993 0.1993 0.1993 0.2260 0.2260 0.2260 0.2260 0.9108 0.9108 0.9108 0.9108 1.0627 1.0627 1.0627 1.0627 1.7512 1.7512 1.7512 1.7512 4.7573 4.7573 4.7573 4.7573 4.9327 4.9327 4.9327 4.9327 5.3414 5.3414 5.3414 5.3414 6.0444 6.0444 6.0444 6.0444 6.3868 6.3868 6.3868 6.3868 12.0293 12.0293 12.0293 12.0293 14.6572 14.6572 k = 0.0000 0.3361 0.1850 ( 2704 PWs) bands (ev): -17.9632 -17.9632 -17.9632 -17.9632 -17.6237 -17.6237 -17.6237 -17.6237 -1.4367 -1.4367 -1.4367 -1.4367 0.2095 0.2095 0.2095 0.2095 0.2258 0.2258 0.2258 0.2258 0.9396 0.9396 0.9396 0.9396 1.0652 1.0652 1.0652 1.0652 1.7263 1.7263 1.7263 1.7263 4.7473 4.7473 4.7473 4.7473 4.9263 4.9263 4.9263 4.9263 5.3439 5.3439 5.3439 5.3439 6.0312 6.0312 6.0312 6.0312 6.3927 6.3927 6.3927 6.3927 12.0900 12.0900 12.0900 12.0900 14.5820 14.5820 k = 0.0000 0.3361 0.1947 ( 2700 PWs) bands (ev): -17.9588 -17.9588 -17.9588 -17.9588 -17.6283 -17.6283 -17.6283 -17.6283 -1.4454 -1.4454 -1.4454 -1.4454 0.2184 0.2184 0.2184 0.2184 0.2270 0.2270 0.2270 0.2270 0.9683 0.9683 0.9683 0.9683 1.0680 1.0680 1.0680 1.0680 1.7009 1.7009 1.7009 1.7009 4.7374 4.7374 4.7374 4.7374 4.9200 4.9200 4.9200 4.9200 5.3464 5.3464 5.3464 5.3464 6.0187 6.0187 6.0187 6.0187 6.3984 6.3984 6.3984 6.3984 12.1522 12.1522 12.1522 12.1522 14.5066 14.5066 k = 0.0000 0.3361 0.2045 ( 2692 PWs) bands (ev): -17.9544 -17.9544 -17.9544 -17.9544 -17.6330 -17.6330 -17.6330 -17.6330 -1.4538 -1.4538 -1.4538 -1.4538 0.2219 0.2219 0.2219 0.2219 0.2335 0.2335 0.2335 0.2335 0.9965 0.9965 0.9965 0.9965 1.0712 1.0712 1.0712 1.0712 1.6750 1.6750 1.6750 1.6750 4.7276 4.7276 4.7276 4.7276 4.9140 4.9140 4.9140 4.9140 5.3488 5.3488 5.3488 5.3488 6.0068 6.0068 6.0068 6.0068 6.4039 6.4039 6.4039 6.4039 12.2153 12.2153 12.2153 12.2153 14.4313 14.4313 k = 0.0000 0.3361 0.2142 ( 2696 PWs) bands (ev): -17.9501 -17.9501 -17.9501 -17.9501 -17.6375 -17.6375 -17.6375 -17.6375 -1.4617 -1.4617 -1.4617 -1.4617 0.2222 0.2222 0.2222 0.2222 0.2431 0.2431 0.2431 0.2431 1.0234 1.0234 1.0234 1.0234 1.0757 1.0757 1.0757 1.0757 1.6488 1.6488 1.6488 1.6488 4.7180 4.7180 4.7180 4.7180 4.9081 4.9081 4.9081 4.9081 5.3509 5.3509 5.3509 5.3509 5.9956 5.9956 5.9956 5.9956 6.4091 6.4091 6.4091 6.4091 12.2791 12.2791 12.2791 12.2791 14.3565 14.3565 k = 0.0000 0.3361 0.2239 ( 2696 PWs) bands (ev): -17.9459 -17.9459 -17.9459 -17.9459 -17.6420 -17.6420 -17.6420 -17.6420 -1.4692 -1.4692 -1.4692 -1.4692 0.2220 0.2220 0.2220 0.2220 0.2530 0.2530 0.2530 0.2530 1.0463 1.0463 1.0463 1.0463 1.0840 1.0840 1.0840 1.0840 1.6223 1.6223 1.6223 1.6223 4.7087 4.7087 4.7087 4.7087 4.9026 4.9026 4.9026 4.9026 5.3530 5.3530 5.3530 5.3530 5.9853 5.9853 5.9853 5.9853 6.4140 6.4140 6.4140 6.4140 12.3431 12.3431 12.3431 12.3431 14.2825 14.2825 k = 0.0000 0.3361 0.2337 ( 2702 PWs) bands (ev): -17.9419 -17.9419 -17.9419 -17.9419 -17.6462 -17.6462 -17.6462 -17.6462 -1.4760 -1.4760 -1.4760 -1.4760 0.2216 0.2216 0.2216 0.2216 0.2625 0.2625 0.2625 0.2625 1.0603 1.0603 1.0603 1.0603 1.1007 1.1007 1.1007 1.1007 1.5956 1.5956 1.5956 1.5956 4.7000 4.7000 4.7000 4.7000 4.8974 4.8974 4.8974 4.8974 5.3548 5.3548 5.3548 5.3548 5.9757 5.9757 5.9757 5.9757 6.4185 6.4185 6.4185 6.4185 12.4069 12.4069 12.4069 12.4069 14.2099 14.2099 k = 0.0000 0.3361 0.2434 ( 2706 PWs) bands (ev): -17.9380 -17.9380 -17.9380 -17.9380 -17.6502 -17.6502 -17.6502 -17.6502 -1.4823 -1.4823 -1.4823 -1.4823 0.2212 0.2212 0.2212 0.2212 0.2714 0.2714 0.2714 0.2714 1.0668 1.0668 1.0668 1.0668 1.1248 1.1248 1.1248 1.1248 1.5687 1.5687 1.5687 1.5687 4.6918 4.6918 4.6918 4.6918 4.8927 4.8927 4.8927 4.8927 5.3564 5.3564 5.3564 5.3564 5.9671 5.9671 5.9671 5.9671 6.4227 6.4227 6.4227 6.4227 12.4697 12.4697 12.4697 12.4697 14.1393 14.1393 k = 0.0000 0.3361 0.2531 ( 2710 PWs) bands (ev): -17.9345 -17.9345 -17.9345 -17.9345 -17.6540 -17.6540 -17.6540 -17.6540 -1.4880 -1.4880 -1.4880 -1.4880 0.2209 0.2209 0.2209 0.2209 0.2797 0.2797 0.2797 0.2797 1.0702 1.0702 1.0702 1.0702 1.1514 1.1514 1.1514 1.1514 1.5419 1.5419 1.5419 1.5419 4.6843 4.6843 4.6843 4.6843 4.8883 4.8883 4.8883 4.8883 5.3579 5.3579 5.3579 5.3579 5.9594 5.9594 5.9594 5.9594 6.4264 6.4264 6.4264 6.4264 12.5309 12.5309 12.5309 12.5309 14.0713 14.0713 k = 0.0000 0.3361 0.2629 ( 2710 PWs) bands (ev): -17.9312 -17.9312 -17.9312 -17.9312 -17.6574 -17.6574 -17.6574 -17.6574 -1.4929 -1.4929 -1.4929 -1.4929 0.2206 0.2206 0.2206 0.2206 0.2872 0.2872 0.2872 0.2872 1.0725 1.0725 1.0725 1.0725 1.1787 1.1787 1.1787 1.1787 1.5150 1.5150 1.5150 1.5150 4.6776 4.6776 4.6776 4.6776 4.8845 4.8845 4.8845 4.8845 5.3591 5.3591 5.3591 5.3591 5.9527 5.9527 5.9527 5.9527 6.4297 6.4297 6.4297 6.4297 12.5894 12.5894 12.5894 12.5894 14.0069 14.0069 k = 0.0000 0.3361 0.2726 ( 2706 PWs) bands (ev): -17.9284 -17.9284 -17.9284 -17.9284 -17.6604 -17.6604 -17.6604 -17.6604 -1.4971 -1.4971 -1.4971 -1.4971 0.2203 0.2203 0.2203 0.2203 0.2938 0.2938 0.2938 0.2938 1.0742 1.0742 1.0742 1.0742 1.2060 1.2060 1.2060 1.2060 1.4883 1.4883 1.4883 1.4883 4.6717 4.6717 4.6717 4.6717 4.8813 4.8813 4.8813 4.8813 5.3603 5.3603 5.3603 5.3603 5.9471 5.9471 5.9471 5.9471 6.4325 6.4325 6.4325 6.4325 12.6440 12.6440 12.6440 12.6440 13.9474 13.9474 k = 0.0000 0.3361 0.2823 ( 2704 PWs) bands (ev): -17.9260 -17.9260 -17.9260 -17.9260 -17.6629 -17.6629 -17.6629 -17.6629 -1.5006 -1.5006 -1.5006 -1.5006 0.2200 0.2200 0.2200 0.2200 0.2993 0.2993 0.2993 0.2993 1.0754 1.0754 1.0754 1.0754 1.2330 1.2330 1.2330 1.2330 1.4618 1.4618 1.4618 1.4618 4.6668 4.6668 4.6668 4.6668 4.8785 4.8785 4.8785 4.8785 5.3612 5.3612 5.3612 5.3612 5.9424 5.9424 5.9424 5.9424 6.4348 6.4348 6.4348 6.4348 12.6931 12.6931 12.6931 12.6931 13.8943 13.8943 k = 0.0000 0.3361 0.2921 ( 2704 PWs) bands (ev): -17.9240 -17.9240 -17.9240 -17.9240 -17.6649 -17.6649 -17.6649 -17.6649 -1.5034 -1.5034 -1.5034 -1.5034 0.2198 0.2198 0.2198 0.2198 0.3037 0.3037 0.3037 0.3037 1.0764 1.0764 1.0764 1.0764 1.2595 1.2595 1.2595 1.2595 1.4359 1.4359 1.4359 1.4359 4.6629 4.6629 4.6629 4.6629 4.8764 4.8764 4.8764 4.8764 5.3619 5.3619 5.3619 5.3619 5.9388 5.9388 5.9388 5.9388 6.4366 6.4366 6.4366 6.4366 12.7348 12.7348 12.7348 12.7348 13.8495 13.8495 k = 0.0000 0.3361 0.3018 ( 2702 PWs) bands (ev): -17.9226 -17.9226 -17.9226 -17.9226 -17.6664 -17.6664 -17.6664 -17.6664 -1.5053 -1.5053 -1.5053 -1.5053 0.2197 0.2197 0.2197 0.2197 0.3069 0.3069 0.3069 0.3069 1.0770 1.0770 1.0770 1.0770 1.2846 1.2846 1.2846 1.2846 1.4111 1.4111 1.4111 1.4111 4.6601 4.6601 4.6601 4.6601 4.8748 4.8748 4.8748 4.8748 5.3624 5.3624 5.3624 5.3624 5.9362 5.9362 5.9362 5.9362 6.4379 6.4379 6.4379 6.4379 12.7670 12.7670 12.7670 12.7670 13.8151 13.8151 k = 0.0000 0.3361 0.3115 ( 2708 PWs) bands (ev): -17.9218 -17.9218 -17.9218 -17.9218 -17.6673 -17.6673 -17.6673 -17.6673 -1.5065 -1.5065 -1.5065 -1.5065 0.2196 0.2196 0.2196 0.2196 0.3088 0.3088 0.3088 0.3088 1.0774 1.0774 1.0774 1.0774 1.3063 1.3063 1.3063 1.3063 1.3896 1.3896 1.3896 1.3896 4.6584 4.6584 4.6584 4.6584 4.8739 4.8739 4.8739 4.8739 5.3627 5.3627 5.3627 5.3627 5.9346 5.9346 5.9346 5.9346 6.4387 6.4387 6.4387 6.4387 12.7874 12.7874 12.7874 12.7874 13.7934 13.7934 k = 0.0000 0.3361 0.3213 ( 2700 PWs) bands (ev): -17.9215 -17.9215 -17.9215 -17.9215 -17.6676 -17.6676 -17.6676 -17.6676 -1.5069 -1.5069 -1.5069 -1.5069 0.2196 0.2196 0.2196 0.2196 0.3095 0.3095 0.3095 0.3095 1.0775 1.0775 1.0775 1.0775 1.3167 1.3167 1.3167 1.3167 1.3793 1.3793 1.3793 1.3793 4.6578 4.6578 4.6578 4.6578 4.8736 4.8736 4.8736 4.8736 5.3628 5.3628 5.3628 5.3628 5.9341 5.9341 5.9341 5.9341 6.4391 6.4391 6.4391 6.4391 12.7944 12.7944 12.7944 12.7944 13.7859 13.7859 k = 0.5000-0.0000 0.3213 ( 2660 PWs) bands (ev): -17.7390 -17.7390 -17.7362 -17.7362 -17.6214 -17.6214 -17.6214 -17.6214 -1.1579 -1.1579 -1.1535 -1.1535 -0.5248 -0.5248 -0.5209 -0.5209 -0.0863 -0.0863 -0.0748 -0.0748 0.2975 0.2975 0.3272 0.3272 1.3793 1.3793 1.3872 1.3872 1.6319 1.6319 1.6474 1.6474 4.6915 4.6915 4.7332 4.7332 5.0663 5.0663 5.1328 5.1328 5.3196 5.3196 5.4283 5.4283 5.4990 5.4990 5.5255 5.5255 6.7685 6.7685 6.7903 6.7903 14.8533 14.8533 14.8634 14.8634 14.9902 14.9902 k = 0.5000-0.0000 0.3115 ( 2664 PWs) bands (ev): -17.7392 -17.7392 -17.7364 -17.7364 -17.6213 -17.6213 -17.6213 -17.6213 -1.1572 -1.1572 -1.1529 -1.1529 -0.5258 -0.5258 -0.5218 -0.5218 -0.0851 -0.0851 -0.0737 -0.0737 0.2971 0.2971 0.3269 0.3269 1.3792 1.3792 1.3872 1.3872 1.6310 1.6310 1.6464 1.6464 4.6922 4.6922 4.7339 4.7339 5.0664 5.0664 5.1328 5.1328 5.3195 5.3195 5.4281 5.4281 5.4994 5.4994 5.5259 5.5259 6.7674 6.7674 6.7892 6.7892 14.8252 14.8252 14.8375 14.8375 15.0204 15.0204 k = 0.5000-0.0000 0.3018 ( 2668 PWs) bands (ev): -17.7397 -17.7397 -17.7370 -17.7370 -17.6207 -17.6207 -17.6207 -17.6207 -1.1552 -1.1552 -1.1508 -1.1508 -0.5286 -0.5286 -0.5245 -0.5245 -0.0816 -0.0816 -0.0703 -0.0703 0.2961 0.2961 0.3258 0.3258 1.3792 1.3792 1.3871 1.3871 1.6280 1.6280 1.6435 1.6435 4.6943 4.6943 4.7359 4.7359 5.0664 5.0664 5.1328 5.1328 5.3191 5.3191 5.4276 5.4276 5.5008 5.5008 5.5273 5.5273 6.7643 6.7643 6.7861 6.7861 14.7710 14.7710 14.7851 14.7851 15.0811 15.0811 k = 0.5000-0.0000 0.2921 ( 2672 PWs) bands (ev): -17.7406 -17.7406 -17.7379 -17.7379 -17.6198 -17.6198 -17.6198 -17.6198 -1.1518 -1.1518 -1.1474 -1.1474 -0.5331 -0.5331 -0.5290 -0.5290 -0.0759 -0.0759 -0.0648 -0.0648 0.2944 0.2944 0.3241 0.3241 1.3790 1.3790 1.3870 1.3870 1.6232 1.6232 1.6385 1.6385 4.6978 4.6978 4.7394 4.7394 5.0666 5.0666 5.1327 5.1327 5.3186 5.3186 5.4268 5.4268 5.5031 5.5031 5.5297 5.5297 6.7591 6.7591 6.7810 6.7810 14.7120 14.7120 14.7268 14.7268 15.1508 15.1508 k = 0.5000-0.0000 0.2823 ( 2676 PWs) bands (ev): -17.7419 -17.7419 -17.7392 -17.7392 -17.6186 -17.6186 -17.6186 -17.6186 -1.1471 -1.1471 -1.1427 -1.1427 -0.5392 -0.5392 -0.5350 -0.5350 -0.0682 -0.0682 -0.0573 -0.0573 0.2920 0.2920 0.3217 0.3217 1.3787 1.3787 1.3868 1.3868 1.6166 1.6166 1.6318 1.6318 4.7026 4.7026 4.7441 4.7441 5.0668 5.0668 5.1326 5.1326 5.3179 5.3179 5.4256 5.4256 5.5064 5.5064 5.5330 5.5330 6.7518 6.7518 6.7738 6.7738 14.6529 14.6529 14.6680 14.6680 15.2248 15.2248 k = 0.5000-0.0000 0.2726 ( 2680 PWs) bands (ev): -17.7434 -17.7434 -17.7407 -17.7407 -17.6171 -17.6171 -17.6170 -17.6170 -1.1411 -1.1411 -1.1366 -1.1366 -0.5466 -0.5466 -0.5423 -0.5423 -0.0587 -0.0587 -0.0481 -0.0481 0.2890 0.2890 0.3185 0.3185 1.3783 1.3783 1.3865 1.3865 1.6083 1.6083 1.6232 1.6232 4.7088 4.7088 4.7501 4.7501 5.0671 5.0671 5.1325 5.1325 5.3170 5.3170 5.4242 5.4242 5.5106 5.5106 5.5372 5.5372 6.7426 6.7426 6.7646 6.7646 14.5951 14.5951 14.6103 14.6103 15.3017 15.3017 k = 0.5000-0.0000 0.2629 ( 2680 PWs) bands (ev): -17.7451 -17.7451 -17.7426 -17.7426 -17.6154 -17.6154 -17.6152 -17.6152 -1.1338 -1.1338 -1.1293 -1.1293 -0.5552 -0.5552 -0.5507 -0.5507 -0.0476 -0.0476 -0.0373 -0.0373 0.2853 0.2853 0.3147 0.3147 1.3777 1.3777 1.3860 1.3860 1.5984 1.5984 1.6131 1.6131 4.7162 4.7162 4.7574 4.7574 5.0675 5.0675 5.1325 5.1325 5.3158 5.3158 5.4224 5.4224 5.5157 5.5157 5.5424 5.5424 6.7314 6.7314 6.7536 6.7536 14.5391 14.5391 14.5542 14.5542 15.3808 15.3808 k = 0.5000-0.0000 0.2531 ( 2680 PWs) bands (ev): -17.7471 -17.7471 -17.7447 -17.7447 -17.6134 -17.6134 -17.6132 -17.6132 -1.1253 -1.1253 -1.1207 -1.1207 -0.5646 -0.5646 -0.5599 -0.5599 -0.0353 -0.0353 -0.0254 -0.0254 0.2810 0.2810 0.3103 0.3103 1.3768 1.3768 1.3854 1.3854 1.5872 1.5872 1.6014 1.6014 4.7247 4.7247 4.7658 4.7658 5.0680 5.0680 5.1323 5.1323 5.3145 5.3145 5.4204 5.4204 5.5218 5.5218 5.5485 5.5485 6.7183 6.7183 6.7407 6.7407 14.4852 14.4852 14.5001 14.5001 15.4618 15.4618 k = 0.5000-0.0000 0.2434 ( 2672 PWs) bands (ev): -17.7493 -17.7493 -17.7469 -17.7469 -17.6112 -17.6112 -17.6110 -17.6110 -1.1156 -1.1156 -1.1110 -1.1110 -0.5745 -0.5745 -0.5698 -0.5698 -0.0220 -0.0220 -0.0124 -0.0124 0.2760 0.2760 0.3051 0.3051 1.3756 1.3756 1.3844 1.3844 1.5748 1.5748 1.5886 1.5886 4.7345 4.7345 4.7753 4.7753 5.0685 5.0685 5.1322 5.1322 5.3128 5.3128 5.4180 5.4180 5.5289 5.5289 5.5557 5.5557 6.7035 6.7035 6.7260 6.7260 14.4335 14.4335 14.4481 14.4481 15.5444 15.5444 k = 0.5000-0.0000 0.2337 ( 2674 PWs) bands (ev): -17.7516 -17.7516 -17.7493 -17.7493 -17.6088 -17.6088 -17.6086 -17.6086 -1.1048 -1.1048 -1.1001 -1.1001 -0.5849 -0.5849 -0.5801 -0.5801 -0.0079 -0.0079 0.0013 0.0013 0.2704 0.2704 0.2993 0.2993 1.3738 1.3738 1.3830 1.3830 1.5615 1.5615 1.5747 1.5747 4.7452 4.7452 4.7859 4.7859 5.0690 5.0690 5.1321 5.1321 5.3109 5.3109 5.4152 5.4152 5.5370 5.5370 5.5637 5.5637 6.6867 6.6867 6.7094 6.7094 14.3840 14.3840 14.3982 14.3982 15.6285 15.6285 k = 0.5000-0.0000 0.2239 ( 2674 PWs) bands (ev): -17.7541 -17.7541 -17.7519 -17.7519 -17.6064 -17.6064 -17.6061 -17.6061 -1.0930 -1.0930 -1.0882 -1.0882 -0.5955 -0.5955 -0.5905 -0.5905 0.0067 0.0067 0.0155 0.0155 0.2643 0.2643 0.2929 0.2929 1.3714 1.3714 1.3810 1.3810 1.5477 1.5477 1.5602 1.5602 4.7569 4.7569 4.7973 4.7973 5.0696 5.0696 5.1319 5.1319 5.3087 5.3087 5.4122 5.4122 5.5460 5.5460 5.5727 5.5727 6.6684 6.6684 6.6913 6.6913 14.3367 14.3367 14.3506 14.3506 15.7137 15.7137 k = 0.5000-0.0000 0.2142 ( 2676 PWs) bands (ev): -17.7566 -17.7566 -17.7545 -17.7545 -17.6039 -17.6039 -17.6036 -17.6036 -1.0802 -1.0802 -1.0753 -1.0753 -0.6060 -0.6060 -0.6010 -0.6010 0.0216 0.0216 0.0299 0.0299 0.2576 0.2576 0.2859 0.2859 1.3681 1.3681 1.3782 1.3782 1.5336 1.5336 1.5453 1.5453 4.7694 4.7694 4.8096 4.8096 5.0702 5.0702 5.1317 5.1317 5.3062 5.3062 5.4087 5.4087 5.5560 5.5560 5.5826 5.5826 6.6484 6.6484 6.6715 6.6715 14.2918 14.2918 14.3052 14.3052 15.8001 15.8001 k = 0.5000-0.0000 0.2045 ( 2672 PWs) bands (ev): -17.7592 -17.7592 -17.7572 -17.7572 -17.6013 -17.6013 -17.6009 -17.6009 -1.0665 -1.0665 -1.0615 -1.0615 -0.6162 -0.6162 -0.6112 -0.6112 0.0365 0.0365 0.0444 0.0444 0.2505 0.2505 0.2785 0.2785 1.3636 1.3636 1.3744 1.3744 1.5199 1.5199 1.5305 1.5305 4.7827 4.7827 4.8226 4.8226 5.0709 5.0709 5.1315 5.1315 5.3035 5.3035 5.4050 5.4050 5.5670 5.5670 5.5935 5.5935 6.6270 6.6270 6.6503 6.6503 14.2491 14.2491 14.2621 14.2621 15.8872 15.8872 k = 0.5000-0.0000 0.1947 ( 2676 PWs) bands (ev): -17.7618 -17.7618 -17.7599 -17.7599 -17.5987 -17.5987 -17.5983 -17.5983 -1.0521 -1.0521 -1.0470 -1.0470 -0.6261 -0.6261 -0.6211 -0.6211 0.0510 0.0510 0.0586 0.0586 0.2431 0.2431 0.2706 0.2706 1.3577 1.3577 1.3692 1.3692 1.5068 1.5068 1.5163 1.5163 4.7968 4.7968 4.8363 4.8363 5.0715 5.0715 5.1312 5.1312 5.3003 5.3003 5.4008 5.4008 5.5790 5.5790 5.6053 5.6053 6.6041 6.6041 6.6276 6.6276 14.2087 14.2087 14.2212 14.2212 15.9749 15.9749 k = 0.5000-0.0000 0.1850 ( 2676 PWs) bands (ev): -17.7645 -17.7645 -17.7626 -17.7626 -17.5960 -17.5960 -17.5957 -17.5957 -1.0372 -1.0372 -1.0320 -1.0320 -0.6353 -0.6353 -0.6303 -0.6303 0.0649 0.0649 0.0722 0.0722 0.2357 0.2357 0.2626 0.2626 1.3501 1.3501 1.3624 1.3624 1.4949 1.4949 1.5031 1.5031 4.8113 4.8113 4.8505 4.8505 5.0722 5.0722 5.1309 5.1309 5.2970 5.2970 5.3964 5.3964 5.5919 5.5919 5.6181 5.6181 6.5799 6.5799 6.6036 6.6036 14.1706 14.1706 14.1826 14.1826 16.0630 16.0630 k = 0.5000-0.0000 0.1752 ( 2676 PWs) bands (ev): -17.7671 -17.7671 -17.7653 -17.7653 -17.5934 -17.5934 -17.5931 -17.5931 -1.0218 -1.0218 -1.0165 -1.0165 -0.6438 -0.6438 -0.6389 -0.6389 0.0777 0.0777 0.0848 0.0848 0.2286 0.2286 0.2547 0.2547 1.3405 1.3405 1.3536 1.3536 1.4846 1.4846 1.4915 1.4915 4.8264 4.8264 4.8653 4.8653 5.0729 5.0729 5.1307 5.1307 5.2933 5.2933 5.3916 5.3916 5.6058 5.6058 5.6318 5.6318 6.5546 6.5546 6.5785 6.5785 14.1347 14.1347 14.1462 14.1462 16.1512 16.1512 k = 0.5000-0.0000 0.1655 ( 2680 PWs) bands (ev): -17.7696 -17.7696 -17.7680 -17.7680 -17.5909 -17.5909 -17.5905 -17.5905 -1.0062 -1.0062 -1.0008 -1.0008 -0.6513 -0.6513 -0.6464 -0.6464 0.0886 0.0886 0.0958 0.0958 0.2223 0.2223 0.2474 0.2474 1.3291 1.3291 1.3427 1.3427 1.4760 1.4760 1.4817 1.4817 4.8420 4.8420 4.8803 4.8803 5.0736 5.0736 5.1303 5.1303 5.2893 5.2893 5.3863 5.3863 5.6206 5.6206 5.6464 5.6464 6.5281 6.5281 6.5522 6.5522 14.1010 14.1010 14.1119 14.1119 16.2392 16.2392 k = 0.5000-0.0000 0.1558 ( 2680 PWs) bands (ev): -17.7721 -17.7721 -17.7705 -17.7705 -17.5884 -17.5884 -17.5880 -17.5880 -0.9906 -0.9906 -0.9852 -0.9852 -0.6575 -0.6575 -0.6529 -0.6529 0.0970 0.0970 0.1047 0.1047 0.2176 0.2176 0.2411 0.2411 1.3159 1.3159 1.3299 1.3299 1.4691 1.4691 1.4739 1.4739 4.8578 4.8578 4.8956 4.8956 5.0742 5.0742 5.1300 5.1300 5.2851 5.2851 5.3808 5.3808 5.6363 5.6363 5.6619 5.6619 6.5007 6.5007 6.5250 6.5250 14.0695 14.0695 14.0798 14.0798 16.3267 16.3267 k = 0.5000-0.0000 0.1460 ( 2678 PWs) bands (ev): -17.7745 -17.7745 -17.7730 -17.7730 -17.5860 -17.5860 -17.5856 -17.5856 -0.9752 -0.9752 -0.9699 -0.9699 -0.6624 -0.6624 -0.6580 -0.6580 0.1018 0.1018 0.1105 0.1105 0.2154 0.2154 0.2368 0.2368 1.3014 1.3014 1.3154 1.3154 1.4638 1.4638 1.4678 1.4678 4.8739 4.8739 4.9110 4.9110 5.0749 5.0749 5.1297 5.1297 5.2807 5.2807 5.3749 5.3749 5.6529 5.6529 5.6784 5.6784 6.4725 6.4725 6.4969 6.4969 14.0401 14.0401 14.0499 14.0499 16.4134 16.4134 k = 0.5000-0.0000 0.1363 ( 2674 PWs) bands (ev): -17.7768 -17.7768 -17.7754 -17.7754 -17.5836 -17.5836 -17.5833 -17.5833 -0.9605 -0.9605 -0.9553 -0.9553 -0.6656 -0.6656 -0.6614 -0.6614 0.1024 0.1024 0.1124 0.1124 0.2164 0.2164 0.2352 0.2352 1.2859 1.2859 1.2997 1.2997 1.4599 1.4599 1.4632 1.4632 4.8901 4.8901 4.9265 4.9265 5.0756 5.0756 5.1293 5.1293 5.2761 5.2761 5.3686 5.3686 5.6705 5.6705 5.6958 5.6958 6.4435 6.4435 6.4681 6.4681 14.0129 14.0129 14.0221 14.0221 16.4990 16.4990 k = 0.5000-0.0000 0.1266 ( 2678 PWs) bands (ev): -17.7790 -17.7790 -17.7778 -17.7778 -17.5814 -17.5814 -17.5810 -17.5810 -0.9466 -0.9466 -0.9416 -0.9416 -0.6669 -0.6669 -0.6631 -0.6631 0.0987 0.0987 0.1102 0.1102 0.2205 0.2205 0.2365 0.2365 1.2698 1.2698 1.2833 1.2833 1.4570 1.4570 1.4599 1.4599 4.9064 4.9064 4.9417 4.9417 5.0761 5.0761 5.1290 5.1290 5.2713 5.2713 5.3620 5.3620 5.6889 5.6889 5.7140 5.7140 6.4138 6.4138 6.4386 6.4386 13.9877 13.9877 13.9963 13.9963 16.5831 16.5831 k = 0.5000-0.0000 0.1168 ( 2666 PWs) bands (ev): -17.7811 -17.7811 -17.7799 -17.7799 -17.5793 -17.5793 -17.5789 -17.5789 -0.9339 -0.9339 -0.9292 -0.9292 -0.6661 -0.6661 -0.6628 -0.6628 0.0914 0.0914 0.1041 0.1041 0.2271 0.2271 0.2405 0.2405 1.2537 1.2537 1.2666 1.2666 1.4550 1.4550 1.4575 1.4575 4.9227 4.9227 4.9569 4.9569 5.0767 5.0767 5.1286 5.1286 5.2664 5.2664 5.3550 5.3550 5.7083 5.7083 5.7332 5.7332 6.3838 6.3838 6.4087 6.4087 13.9646 13.9646 13.9726 13.9726 16.6652 16.6652 k = 0.5000-0.0000 0.1071 ( 2662 PWs) bands (ev): -17.7831 -17.7831 -17.7820 -17.7820 -17.5773 -17.5773 -17.5770 -17.5770 -0.9227 -0.9227 -0.9183 -0.9183 -0.6632 -0.6632 -0.6604 -0.6604 0.0816 0.0816 0.0948 0.0948 0.2351 0.2351 0.2464 0.2464 1.2379 1.2379 1.2501 1.2501 1.4536 1.4536 1.4558 1.4558 4.9389 4.9389 4.9716 4.9716 5.0773 5.0773 5.1282 5.1282 5.2615 5.2615 5.3477 5.3477 5.7284 5.7284 5.7532 5.7532 6.3533 6.3533 6.3783 6.3783 13.9435 13.9435 13.9508 13.9508 16.7449 16.7449 k = 0.5000-0.0000 0.0974 ( 2658 PWs) bands (ev): -17.7849 -17.7849 -17.7839 -17.7839 -17.5755 -17.5755 -17.5752 -17.5752 -0.9131 -0.9131 -0.9091 -0.9091 -0.6581 -0.6581 -0.6560 -0.6560 0.0700 0.0700 0.0834 0.0834 0.2440 0.2440 0.2535 0.2535 1.2226 1.2226 1.2340 1.2340 1.4527 1.4527 1.4546 1.4546 4.9549 4.9549 4.9857 4.9857 5.0777 5.0777 5.1277 5.1277 5.2566 5.2566 5.3400 5.3400 5.7493 5.7493 5.7740 5.7740 6.3226 6.3226 6.3476 6.3476 13.9244 13.9244 13.9311 13.9311 16.8217 16.8217 k = 0.5000-0.0000 0.0876 ( 2662 PWs) bands (ev): -17.7865 -17.7865 -17.7856 -17.7856 -17.5738 -17.5738 -17.5735 -17.5735 -0.9052 -0.9052 -0.9017 -0.9017 -0.6511 -0.6511 -0.6496 -0.6496 0.0574 0.0574 0.0705 0.0705 0.2530 0.2530 0.2611 0.2611 1.2081 1.2081 1.2186 1.2186 1.4521 1.4521 1.4538 1.4538 4.9706 4.9706 4.9991 4.9991 5.0781 5.0781 5.1271 5.1271 5.2520 5.2520 5.3321 5.3321 5.7711 5.7711 5.7956 5.7956 6.2916 6.2916 6.3167 6.3167 13.9073 13.9073 13.9133 13.9133 16.8951 16.8951 k = 0.5000-0.0000 0.0779 ( 2664 PWs) bands (ev): -17.7880 -17.7880 -17.7872 -17.7872 -17.5722 -17.5722 -17.5720 -17.5720 -0.8989 -0.8989 -0.8959 -0.8959 -0.6425 -0.6425 -0.6416 -0.6416 0.0444 0.0444 0.0569 0.0569 0.2617 0.2617 0.2686 0.2686 1.1947 1.1947 1.2042 1.2042 1.4517 1.4517 1.4532 1.4532 4.9860 4.9860 5.0116 5.0116 5.0783 5.0783 5.1263 5.1263 5.2478 5.2478 5.3238 5.3238 5.7935 5.7935 5.8180 5.8180 6.2608 6.2608 6.2858 6.2858 13.8921 13.8921 13.8974 13.8974 16.9643 16.9643 k = 0.5000-0.0000 0.0682 ( 2666 PWs) bands (ev): -17.7894 -17.7894 -17.7887 -17.7887 -17.5709 -17.5709 -17.5706 -17.5706 -0.8941 -0.8941 -0.8917 -0.8917 -0.6327 -0.6327 -0.6324 -0.6324 0.0314 0.0314 0.0430 0.0430 0.2700 0.2700 0.2758 0.2758 1.1825 1.1825 1.1909 1.1909 1.4516 1.4516 1.4529 1.4529 5.0009 5.0009 5.0231 5.0231 5.0785 5.0785 5.1251 5.1251 5.2443 5.2443 5.3153 5.3153 5.8167 5.8167 5.8410 5.8410 6.2300 6.2300 6.2550 6.2550 13.8787 13.8787 13.8834 13.8834 17.0287 17.0287 k = 0.5000-0.0000 0.0584 ( 2662 PWs) bands (ev): -17.7905 -17.7905 -17.7899 -17.7899 -17.5697 -17.5697 -17.5695 -17.5695 -0.8906 -0.8906 -0.8886 -0.8886 -0.6225 -0.6225 -0.6225 -0.6225 0.0190 0.0190 0.0294 0.0294 0.2775 0.2775 0.2823 0.2823 1.1717 1.1717 1.1791 1.1791 1.4516 1.4516 1.4527 1.4527 5.0154 5.0154 5.0335 5.0335 5.0785 5.0785 5.1234 5.1234 5.2418 5.2418 5.3067 5.3067 5.8404 5.8404 5.8645 5.8645 6.1997 6.1997 6.2244 6.2244 13.8673 13.8673 13.8713 13.8713 17.0876 17.0876 k = 0.5000-0.0000 0.0487 ( 2662 PWs) bands (ev): -17.7915 -17.7915 -17.7910 -17.7910 -17.5686 -17.5686 -17.5685 -17.5685 -0.8881 -0.8881 -0.8865 -0.8865 -0.6127 -0.6127 -0.6123 -0.6123 0.0075 0.0075 0.0166 0.0166 0.2841 0.2841 0.2880 0.2880 1.1625 1.1625 1.1687 1.1687 1.4516 1.4516 1.4525 1.4525 5.0293 5.0293 5.0426 5.0426 5.0784 5.0784 5.1209 5.1209 5.2405 5.2405 5.2979 5.2979 5.8647 5.8647 5.8885 5.8885 6.1699 6.1699 6.1942 6.1942 13.8577 13.8577 13.8611 13.8611 17.1401 17.1401 k = 0.5000-0.0000 0.0389 ( 2658 PWs) bands (ev): -17.7923 -17.7923 -17.7919 -17.7919 -17.5678 -17.5678 -17.5676 -17.5676 -0.8863 -0.8863 -0.8852 -0.8852 -0.6035 -0.6035 -0.6029 -0.6029 -0.0025 -0.0025 0.0050 0.0050 0.2897 0.2897 0.2928 0.2928 1.1549 1.1549 1.1599 1.1599 1.4517 1.4517 1.4525 1.4525 5.0424 5.0424 5.0503 5.0503 5.0782 5.0782 5.1174 5.1174 5.2406 5.2406 5.2892 5.2892 5.8893 5.8893 5.9125 5.9125 6.1411 6.1411 6.1648 6.1648 13.8499 13.8499 13.8526 13.8526 17.1851 17.1851 k = 0.5000-0.0000 0.0292 ( 2658 PWs) bands (ev): -17.7929 -17.7929 -17.7926 -17.7926 -17.5671 -17.5671 -17.5670 -17.5670 -0.8852 -0.8852 -0.8843 -0.8843 -0.5955 -0.5955 -0.5949 -0.5949 -0.0106 -0.0106 -0.0048 -0.0048 0.2943 0.2943 0.2966 0.2966 1.1491 1.1491 1.1529 1.1529 1.4518 1.4518 1.4524 1.4524 5.0543 5.0543 5.0567 5.0567 5.0781 5.0781 5.1126 5.1126 5.2425 5.2425 5.2805 5.2805 5.9138 5.9138 5.9358 5.9358 6.1140 6.1140 6.1364 6.1364 13.8440 13.8440 13.8460 13.8460 17.2217 17.2217 k = 0.5000-0.0000 0.0195 ( 2654 PWs) bands (ev): -17.7934 -17.7934 -17.7932 -17.7932 -17.5666 -17.5666 -17.5665 -17.5665 -0.8844 -0.8844 -0.8839 -0.8839 -0.5893 -0.5893 -0.5888 -0.5888 -0.0164 -0.0164 -0.0125 -0.0125 0.2977 0.2977 0.2992 0.2992 1.1450 1.1450 1.1476 1.1476 1.4520 1.4520 1.4523 1.4523 5.0618 5.0618 5.0641 5.0641 5.0789 5.0789 5.1067 5.1067 5.2459 5.2459 5.2722 5.2722 5.9375 5.9375 5.9567 5.9567 6.0904 6.0904 6.1099 6.1099 13.8398 13.8398 13.8412 13.8412 17.2489 17.2489 k = 0.5000-0.0000 0.0097 ( 2654 PWs) bands (ev): -17.7936 -17.7936 -17.7935 -17.7935 -17.5663 -17.5663 -17.5663 -17.5663 -0.8840 -0.8840 -0.8837 -0.8837 -0.5853 -0.5853 -0.5851 -0.5851 -0.0197 -0.0197 -0.0177 -0.0177 0.2999 0.2999 0.3007 0.3007 1.1429 1.1429 1.1441 1.1441 1.4521 1.4521 1.4523 1.4523 5.0657 5.0657 5.0687 5.0687 5.0835 5.0835 5.0995 5.0995 5.2509 5.2509 5.2642 5.2642 5.9583 5.9583 5.9710 5.9710 6.0744 6.0744 6.0873 6.0873 13.8375 13.8375 13.8382 13.8382 17.2659 17.2659 k = 0.5000-0.0000-0.0000 ( 2654 PWs) bands (ev): -17.7937 -17.7937 -17.7937 -17.7937 -17.5662 -17.5662 -17.5662 -17.5662 -0.8838 -0.8838 -0.8838 -0.8838 -0.5838 -0.5838 -0.5838 -0.5838 -0.0201 -0.0201 -0.0201 -0.0201 0.3009 0.3009 0.3009 0.3009 1.1426 1.1426 1.1426 1.1426 1.4522 1.4522 1.4522 1.4522 5.0682 5.0682 5.0682 5.0682 5.0914 5.0914 5.0914 5.0914 5.2570 5.2570 5.2570 5.2570 5.9718 5.9718 5.9718 5.9718 6.0732 6.0732 6.0732 6.0732 13.8369 13.8369 13.8369 13.8369 17.2720 17.2720 k = 0.5000 0.3361-0.0000 ( 2676 PWs) bands (ev): -17.7110 -17.7110 -17.7077 -17.7077 -17.6489 -17.6489 -17.6489 -17.6489 -1.0335 -1.0335 -1.0302 -1.0302 -0.6664 -0.6664 -0.6615 -0.6615 -0.1610 -0.1610 -0.1527 -0.1527 0.3132 0.3132 0.3457 0.3457 1.2050 1.2050 1.2126 1.2126 1.8821 1.8821 1.8988 1.8988 4.7371 4.7371 4.7513 4.7513 5.0638 5.0638 5.1310 5.1310 5.2545 5.2545 5.3230 5.3230 5.5500 5.5500 5.5962 5.5962 6.7671 6.7671 6.7954 6.7954 14.8891 14.8891 14.9004 14.9004 15.1482 15.1482 k = 0.5000 0.3361 0.0097 ( 2688 PWs) bands (ev): -17.7111 -17.7111 -17.7078 -17.7078 -17.6488 -17.6488 -17.6488 -17.6488 -1.0357 -1.0357 -1.0323 -1.0323 -0.6658 -0.6658 -0.6610 -0.6610 -0.1596 -0.1596 -0.1513 -0.1513 0.3127 0.3127 0.3451 0.3451 1.2061 1.2061 1.2138 1.2138 1.8821 1.8821 1.8989 1.8989 4.7374 4.7374 4.7516 4.7516 5.0639 5.0639 5.1309 5.1309 5.2544 5.2544 5.3229 5.3229 5.5502 5.5502 5.5963 5.5963 6.7663 6.7663 6.7946 6.7946 14.8854 14.8854 14.8962 14.8962 15.1527 15.1527 k = 0.5000 0.3361 0.0195 ( 2680 PWs) bands (ev): -17.7114 -17.7114 -17.7082 -17.7082 -17.6484 -17.6484 -17.6484 -17.6484 -1.0422 -1.0422 -1.0386 -1.0386 -0.6641 -0.6641 -0.6597 -0.6597 -0.1553 -0.1553 -0.1473 -0.1473 0.3111 0.3111 0.3433 0.3433 1.2096 1.2096 1.2174 1.2174 1.8822 1.8822 1.8990 1.8990 4.7384 4.7384 4.7528 4.7528 5.0642 5.0642 5.1310 5.1310 5.2543 5.2543 5.3230 5.3230 5.5512 5.5512 5.5969 5.5969 6.7642 6.7642 6.7925 6.7925 14.8749 14.8749 14.8844 14.8844 15.1653 15.1653 k = 0.5000 0.3361 0.0292 ( 2680 PWs) bands (ev): -17.7119 -17.7119 -17.7087 -17.7087 -17.6479 -17.6479 -17.6478 -17.6478 -1.0526 -1.0526 -1.0488 -1.0488 -0.6615 -0.6615 -0.6578 -0.6578 -0.1483 -0.1483 -0.1407 -0.1407 0.3084 0.3084 0.3404 0.3404 1.2153 1.2153 1.2233 1.2233 1.8824 1.8824 1.8992 1.8992 4.7401 4.7401 4.7546 4.7546 5.0647 5.0647 5.1310 5.1310 5.2541 5.2541 5.3231 5.3231 5.5527 5.5527 5.5978 5.5978 6.7606 6.7606 6.7888 6.7888 14.8590 14.8590 14.8668 14.8668 15.1843 15.1843 k = 0.5000 0.3361 0.0389 ( 2688 PWs) bands (ev): -17.7126 -17.7126 -17.7095 -17.7095 -17.6471 -17.6471 -17.6470 -17.6470 -1.0666 -1.0666 -1.0625 -1.0625 -0.6585 -0.6585 -0.6555 -0.6555 -0.1387 -0.1387 -0.1315 -0.1315 0.3048 0.3048 0.3364 0.3364 1.2232 1.2232 1.2315 1.2315 1.8827 1.8827 1.8995 1.8995 4.7423 4.7423 4.7572 4.7572 5.0654 5.0654 5.1310 5.1310 5.2538 5.2538 5.3231 5.3231 5.5549 5.5549 5.5991 5.5991 6.7556 6.7556 6.7836 6.7836 14.8392 14.8392 14.8453 14.8453 15.2079 15.2079 k = 0.5000 0.3361 0.0487 ( 2688 PWs) bands (ev): -17.7135 -17.7135 -17.7104 -17.7104 -17.6461 -17.6461 -17.6460 -17.6460 -1.0834 -1.0834 -1.0791 -1.0791 -0.6553 -0.6553 -0.6533 -0.6533 -0.1267 -0.1267 -0.1200 -0.1200 0.3003 0.3003 0.3314 0.3314 1.2331 1.2331 1.2418 1.2418 1.8830 1.8830 1.8999 1.8999 4.7452 4.7452 4.7605 4.7605 5.0662 5.0662 5.1310 5.1310 5.2533 5.2533 5.3231 5.3231 5.5578 5.5578 5.6009 5.6009 6.7492 6.7492 6.7771 6.7771 14.8166 14.8166 14.8212 14.8212 15.2347 15.2347 k = 0.5000 0.3361 0.0584 ( 2688 PWs) bands (ev): -17.7145 -17.7145 -17.7115 -17.7115 -17.6450 -17.6450 -17.6448 -17.6448 -1.1027 -1.1027 -1.0980 -1.0980 -0.6524 -0.6524 -0.6513 -0.6513 -0.1125 -0.1125 -0.1063 -0.1063 0.2951 0.2951 0.3257 0.3257 1.2450 1.2450 1.2540 1.2540 1.8834 1.8834 1.9003 1.9003 4.7488 4.7488 4.7645 4.7645 5.0672 5.0672 5.1310 5.1310 5.2525 5.2525 5.3229 5.3229 5.5615 5.5615 5.6033 5.6033 6.7414 6.7414 6.7691 6.7691 14.7921 14.7921 14.7955 14.7955 15.2637 15.2637 k = 0.5000 0.3361 0.0682 ( 2680 PWs) bands (ev): -17.7156 -17.7156 -17.7127 -17.7127 -17.6437 -17.6437 -17.6435 -17.6435 -1.1238 -1.1238 -1.1189 -1.1189 -0.6500 -0.6500 -0.6498 -0.6498 -0.0963 -0.0963 -0.0907 -0.0907 0.2892 0.2892 0.3192 0.3192 1.2586 1.2586 1.2681 1.2681 1.8838 1.8838 1.9007 1.9007 4.7530 4.7530 4.7693 4.7693 5.0683 5.0683 5.1311 5.1311 5.2516 5.2516 5.3226 5.3226 5.5661 5.5661 5.6064 5.6064 6.7322 6.7322 6.7597 6.7597 14.7665 14.7665 14.7688 14.7688 15.2945 15.2945 k = 0.5000 0.3361 0.0779 ( 2680 PWs) bands (ev): -17.7168 -17.7168 -17.7140 -17.7140 -17.6423 -17.6423 -17.6421 -17.6421 -1.1463 -1.1463 -1.1412 -1.1412 -0.6489 -0.6489 -0.6482 -0.6482 -0.0785 -0.0785 -0.0734 -0.0734 0.2828 0.2828 0.3121 0.3121 1.2738 1.2738 1.2837 1.2837 1.8843 1.8843 1.9012 1.9012 4.7577 4.7577 4.7746 4.7746 5.0695 5.0695 5.1311 5.1311 5.2502 5.2502 5.3220 5.3220 5.5716 5.5716 5.6102 5.6102 6.7217 6.7217 6.7490 6.7490 14.7401 14.7401 14.7415 14.7415 15.3266 15.3266 k = 0.5000 0.3361 0.0876 ( 2680 PWs) bands (ev): -17.7181 -17.7181 -17.7154 -17.7154 -17.6409 -17.6409 -17.6405 -17.6405 -1.1698 -1.1698 -1.1645 -1.1645 -0.6487 -0.6487 -0.6473 -0.6473 -0.0594 -0.0594 -0.0547 -0.0547 0.2759 0.2759 0.3047 0.3047 1.2905 1.2905 1.3008 1.3008 1.8847 1.8847 1.9016 1.9016 4.7631 4.7631 4.7807 4.7807 5.0708 5.0708 5.1310 5.1310 5.2485 5.2485 5.3211 5.3211 5.5780 5.5780 5.6148 5.6148 6.7098 6.7098 6.7368 6.7368 14.7133 14.7133 14.7140 14.7140 15.3598 15.3598 k = 0.5000 0.3361 0.0974 ( 2680 PWs) bands (ev): -17.7194 -17.7194 -17.7168 -17.7168 -17.6393 -17.6393 -17.6389 -17.6389 -1.1939 -1.1939 -1.1886 -1.1886 -0.6493 -0.6493 -0.6472 -0.6472 -0.0392 -0.0392 -0.0348 -0.0348 0.2688 0.2688 0.2969 0.2969 1.3083 1.3083 1.3191 1.3191 1.8851 1.8851 1.9020 1.9020 4.7690 4.7690 4.7873 4.7873 5.0722 5.0722 5.1308 5.1308 5.2464 5.2464 5.3197 5.3197 5.5855 5.5855 5.6205 5.6205 6.6967 6.6967 6.7234 6.7234 14.6863 14.6863 14.6863 14.6863 15.3940 15.3940 k = 0.5000 0.3361 0.1071 ( 2676 PWs) bands (ev): -17.7208 -17.7208 -17.7183 -17.7183 -17.6377 -17.6377 -17.6373 -17.6373 -1.2185 -1.2185 -1.2131 -1.2131 -0.6506 -0.6506 -0.6479 -0.6479 -0.0183 -0.0183 -0.0141 -0.0141 0.2615 0.2615 0.2890 0.2890 1.3272 1.3272 1.3385 1.3385 1.8854 1.8854 1.9024 1.9024 4.7755 4.7755 4.7947 4.7947 5.0736 5.0736 5.1307 5.1307 5.2438 5.2438 5.3178 5.3178 5.5941 5.5941 5.6272 5.6272 6.6823 6.6823 6.7087 6.7087 14.6588 14.6588 14.6593 14.6593 15.4289 15.4289 k = 0.5000 0.3361 0.1168 ( 2672 PWs) bands (ev): -17.7222 -17.7222 -17.7198 -17.7198 -17.6360 -17.6360 -17.6356 -17.6356 -1.2431 -1.2431 -1.2377 -1.2377 -0.6526 -0.6526 -0.6495 -0.6495 0.0030 0.0030 0.0072 0.0072 0.2542 0.2542 0.2810 0.2810 1.3471 1.3471 1.3588 1.3588 1.8856 1.8856 1.9026 1.9026 4.7825 4.7825 4.8026 4.8026 5.0750 5.0750 5.1304 5.1304 5.2407 5.2407 5.3153 5.3153 5.6039 5.6039 5.6350 5.6350 6.6667 6.6667 6.6927 6.6927 14.6314 14.6314 14.6324 14.6324 15.4646 15.4646 k = 0.5000 0.3361 0.1266 ( 2668 PWs) bands (ev): -17.7236 -17.7236 -17.7213 -17.7213 -17.6344 -17.6344 -17.6339 -17.6339 -1.2675 -1.2675 -1.2622 -1.2622 -0.6552 -0.6552 -0.6517 -0.6517 0.0245 0.0245 0.0288 0.0288 0.2468 0.2468 0.2732 0.2732 1.3676 1.3676 1.3798 1.3798 1.8857 1.8857 1.9027 1.9027 4.7901 4.7901 4.8110 4.8110 5.0763 5.0763 5.1300 5.1300 5.2371 5.2371 5.3123 5.3123 5.6149 5.6149 5.6441 5.6441 6.6499 6.6499 6.6755 6.6755 14.6045 14.6045 14.6058 14.6058 15.5011 15.5011 k = 0.5000 0.3361 0.1363 ( 2668 PWs) bands (ev): -17.7250 -17.7250 -17.7228 -17.7228 -17.6327 -17.6327 -17.6322 -17.6322 -1.2917 -1.2917 -1.2864 -1.2864 -0.6583 -0.6583 -0.6546 -0.6546 0.0458 0.0458 0.0505 0.0505 0.2397 0.2397 0.2656 0.2656 1.3887 1.3887 1.4013 1.4013 1.8857 1.8857 1.9027 1.9027 4.7981 4.7981 4.8200 4.8200 5.0776 5.0776 5.1294 5.1294 5.2331 5.2331 5.3085 5.3085 5.6270 5.6270 5.6544 5.6544 6.6320 6.6320 6.6572 6.6572 14.5780 14.5780 14.5797 14.5797 15.5381 15.5381 k = 0.5000 0.3361 0.1460 ( 2668 PWs) bands (ev): -17.7263 -17.7263 -17.7243 -17.7243 -17.6310 -17.6310 -17.6306 -17.6306 -1.3154 -1.3154 -1.3102 -1.3102 -0.6618 -0.6618 -0.6580 -0.6580 0.0668 0.0668 0.0720 0.0720 0.2327 0.2327 0.2584 0.2584 1.4101 1.4101 1.4231 1.4231 1.8855 1.8855 1.9025 1.9025 4.8066 4.8066 4.8294 4.8294 5.0788 5.0788 5.1287 5.1287 5.2286 5.2286 5.3042 5.3042 5.6403 5.6403 5.6660 5.6660 6.6130 6.6130 6.6378 6.6378 14.5521 14.5521 14.5540 14.5540 15.5758 15.5758 k = 0.5000 0.3361 0.1558 ( 2672 PWs) bands (ev): -17.7277 -17.7277 -17.7258 -17.7258 -17.6294 -17.6294 -17.6289 -17.6289 -1.3384 -1.3384 -1.3334 -1.3334 -0.6658 -0.6658 -0.6618 -0.6618 0.0870 0.0870 0.0930 0.0930 0.2262 0.2262 0.2518 0.2518 1.4319 1.4319 1.4452 1.4452 1.8850 1.8850 1.9020 1.9020 4.8156 4.8156 4.8393 4.8393 5.0799 5.0799 5.1277 5.1277 5.2237 5.2237 5.2991 5.2991 5.6548 5.6548 5.6788 5.6788 6.5931 6.5931 6.6173 6.6173 14.5269 14.5269 14.5290 14.5290 15.6140 15.6140 k = 0.5000 0.3361 0.1655 ( 2676 PWs) bands (ev): -17.7290 -17.7290 -17.7272 -17.7272 -17.6278 -17.6278 -17.6274 -17.6274 -1.3607 -1.3607 -1.3558 -1.3558 -0.6700 -0.6700 -0.6660 -0.6660 0.1062 0.1062 0.1133 0.1133 0.2202 0.2202 0.2459 0.2459 1.4537 1.4537 1.4673 1.4673 1.8844 1.8844 1.9013 1.9013 4.8249 4.8249 4.8497 4.8497 5.0808 5.0808 5.1264 5.1264 5.2184 5.2184 5.2935 5.2935 5.6705 5.6705 5.6930 5.6930 6.5721 6.5721 6.5958 6.5958 14.5024 14.5024 14.5047 14.5047 15.6527 15.6527 k = 0.5000 0.3361 0.1752 ( 2684 PWs) bands (ev): -17.7303 -17.7303 -17.7286 -17.7286 -17.6263 -17.6263 -17.6258 -17.6258 -1.3821 -1.3821 -1.3774 -1.3774 -0.6744 -0.6744 -0.6704 -0.6704 0.1238 0.1238 0.1324 0.1324 0.2150 0.2150 0.2412 0.2412 1.4754 1.4754 1.4894 1.4894 1.8834 1.8834 1.9003 1.9003 4.8346 4.8346 4.8603 4.8603 5.0815 5.0815 5.1247 5.1247 5.2130 5.2130 5.2872 5.2872 5.6872 5.6872 5.7084 5.7084 6.5503 6.5503 6.5735 6.5735 14.4789 14.4789 14.4813 14.4813 15.6919 15.6919 k = 0.5000 0.3361 0.1850 ( 2684 PWs) bands (ev): -17.7315 -17.7315 -17.7299 -17.7299 -17.6248 -17.6248 -17.6243 -17.6243 -1.4025 -1.4025 -1.3981 -1.3981 -0.6789 -0.6789 -0.6750 -0.6750 0.1395 0.1395 0.1498 0.1498 0.2112 0.2112 0.2381 0.2381 1.4970 1.4970 1.5112 1.5112 1.8821 1.8821 1.8989 1.8989 4.8448 4.8448 4.8714 4.8714 5.0821 5.0821 5.1225 5.1225 5.2075 5.2075 5.2804 5.2804 5.7050 5.7050 5.7249 5.7249 6.5278 6.5278 6.5504 6.5504 14.4563 14.4563 14.4588 14.4588 15.7314 15.7314 k = 0.5000 0.3361 0.1947 ( 2680 PWs) bands (ev): -17.7326 -17.7326 -17.7312 -17.7312 -17.6234 -17.6234 -17.6229 -17.6229 -1.4218 -1.4218 -1.4176 -1.4176 -0.6834 -0.6834 -0.6797 -0.6797 0.1523 0.1523 0.1639 0.1639 0.2102 0.2102 0.2372 0.2372 1.5183 1.5183 1.5327 1.5327 1.8805 1.8805 1.8972 1.8972 4.8553 4.8553 4.8828 4.8828 5.0824 5.0824 5.1198 5.1198 5.2020 5.2020 5.2732 5.2732 5.7238 5.7238 5.7426 5.7426 6.5046 6.5046 6.5266 6.5266 14.4348 14.4348 14.4373 14.4373 15.7713 15.7713 k = 0.5000 0.3361 0.2045 ( 2680 PWs) bands (ev): -17.7337 -17.7337 -17.7324 -17.7324 -17.6220 -17.6220 -17.6216 -17.6216 -1.4400 -1.4400 -1.4360 -1.4360 -0.6879 -0.6879 -0.6843 -0.6843 0.1617 0.1617 0.1724 0.1724 0.2141 0.2141 0.2393 0.2393 1.5392 1.5392 1.5537 1.5537 1.8786 1.8786 1.8951 1.8951 4.8661 4.8661 4.8944 4.8944 5.0823 5.0823 5.1164 5.1164 5.1969 5.1969 5.2656 5.2656 5.7434 5.7434 5.7612 5.7612 6.4809 6.4809 6.5022 6.5022 14.4144 14.4144 14.4169 14.4169 15.8112 15.8112 k = 0.5000 0.3361 0.2142 ( 2676 PWs) bands (ev): -17.7347 -17.7347 -17.7335 -17.7335 -17.6207 -17.6207 -17.6203 -17.6203 -1.4569 -1.4569 -1.4533 -1.4533 -0.6922 -0.6922 -0.6889 -0.6889 0.1672 0.1672 0.1749 0.1749 0.2234 0.2234 0.2444 0.2444 1.5596 1.5596 1.5741 1.5741 1.8763 1.8763 1.8927 1.8927 4.8771 4.8771 4.9062 4.9062 5.0819 5.0819 5.1122 5.1122 5.1921 5.1921 5.2578 5.2578 5.7639 5.7639 5.7807 5.7807 6.4567 6.4567 6.4774 6.4774 14.3954 14.3954 14.3978 14.3978 15.8512 15.8512 k = 0.5000 0.3361 0.2239 ( 2672 PWs) bands (ev): -17.7356 -17.7356 -17.7345 -17.7345 -17.6195 -17.6195 -17.6192 -17.6192 -1.4726 -1.4726 -1.4692 -1.4692 -0.6964 -0.6964 -0.6933 -0.6933 0.1694 0.1694 0.1739 0.1739 0.2354 0.2354 0.2520 0.2520 1.5792 1.5792 1.5937 1.5937 1.8737 1.8737 1.8897 1.8897 4.8885 4.8885 4.9181 4.9181 5.0811 5.0811 5.1070 5.1070 5.1879 5.1879 5.2497 5.2497 5.7849 5.7849 5.8009 5.8009 6.4324 6.4324 6.4522 6.4522 14.3776 14.3776 14.3799 14.3799 15.8909 15.8909 k = 0.5000 0.3361 0.2337 ( 2664 PWs) bands (ev): -17.7365 -17.7365 -17.7354 -17.7354 -17.6184 -17.6184 -17.6181 -17.6181 -1.4869 -1.4869 -1.4838 -1.4838 -0.7004 -0.7004 -0.6975 -0.6975 0.1696 0.1696 0.1716 0.1716 0.2479 0.2479 0.2610 0.2610 1.5981 1.5981 1.6124 1.6124 1.8708 1.8708 1.8864 1.8864 4.9000 4.9000 4.9301 4.9301 5.0799 5.0799 5.1010 5.1010 5.1844 5.1844 5.2416 5.2416 5.8064 5.8064 5.8216 5.8216 6.4079 6.4079 6.4270 6.4270 14.3613 14.3613 14.3635 14.3635 15.9301 15.9301 k = 0.5000 0.3361 0.2434 ( 2672 PWs) bands (ev): -17.7372 -17.7372 -17.7363 -17.7363 -17.6174 -17.6174 -17.6171 -17.6171 -1.4998 -1.4998 -1.4970 -1.4970 -0.7040 -0.7040 -0.7015 -0.7015 0.1684 0.1684 0.1690 0.1690 0.2599 0.2599 0.2702 0.2702 1.6161 1.6161 1.6300 1.6300 1.8675 1.8675 1.8827 1.8827 4.9117 4.9117 4.9420 4.9420 5.0780 5.0780 5.0939 5.0939 5.1816 5.1816 5.2335 5.2335 5.8281 5.8281 5.8426 5.8426 6.3836 6.3836 6.4017 6.4017 14.3465 14.3465 14.3486 14.3486 15.9685 15.9685 k = 0.5000 0.3361 0.2531 ( 2664 PWs) bands (ev): -17.7379 -17.7379 -17.7371 -17.7371 -17.6165 -17.6165 -17.6163 -17.6163 -1.5112 -1.5112 -1.5088 -1.5088 -0.7073 -0.7073 -0.7051 -0.7051 0.1664 0.1664 0.1667 0.1667 0.2710 0.2710 0.2792 0.2792 1.6330 1.6330 1.6464 1.6464 1.8641 1.8641 1.8786 1.8786 4.9235 4.9235 4.9539 4.9539 5.0756 5.0756 5.0860 5.0860 5.1796 5.1796 5.2256 5.2256 5.8498 5.8498 5.8634 5.8634 6.3599 6.3599 6.3770 6.3770 14.3333 14.3333 14.3351 14.3351 16.0055 16.0055 k = 0.5000 0.3361 0.2629 ( 2664 PWs) bands (ev): -17.7385 -17.7385 -17.7378 -17.7378 -17.6158 -17.6158 -17.6155 -17.6155 -1.5212 -1.5212 -1.5191 -1.5191 -0.7103 -0.7103 -0.7083 -0.7083 0.1641 0.1641 0.1648 0.1648 0.2808 0.2808 0.2874 0.2874 1.6487 1.6487 1.6614 1.6614 1.8606 1.8606 1.8741 1.8741 4.9354 4.9354 4.9656 4.9656 5.0724 5.0724 5.0773 5.0773 5.1783 5.1783 5.2180 5.2180 5.8711 5.8711 5.8839 5.8839 6.3370 6.3370 6.3528 6.3528 14.3217 14.3217 14.3234 14.3234 16.0407 16.0407 k = 0.5000 0.3361 0.2726 ( 2652 PWs) bands (ev): -17.7389 -17.7389 -17.7384 -17.7384 -17.6151 -17.6151 -17.6149 -17.6149 -1.5297 -1.5297 -1.5279 -1.5279 -0.7128 -0.7128 -0.7112 -0.7112 0.1620 0.1620 0.1630 0.1630 0.2894 0.2894 0.2946 0.2946 1.6630 1.6630 1.6746 1.6746 1.8572 1.8572 1.8695 1.8695 4.9475 4.9475 4.9770 4.9770 5.0681 5.0681 5.0685 5.0685 5.1778 5.1778 5.2109 5.2109 5.8917 5.8917 5.9033 5.9033 6.3156 6.3156 6.3299 6.3299 14.3119 14.3119 14.3133 14.3133 16.0733 16.0733 k = 0.5000 0.3361 0.2823 ( 2648 PWs) bands (ev): -17.7393 -17.7393 -17.7389 -17.7389 -17.6145 -17.6145 -17.6143 -17.6143 -1.5366 -1.5366 -1.5352 -1.5352 -0.7149 -0.7149 -0.7135 -0.7135 0.1604 0.1604 0.1613 0.1613 0.2965 0.2965 0.3005 0.3005 1.6756 1.6756 1.6859 1.6859 1.8541 1.8541 1.8649 1.8649 4.9594 4.9594 4.9878 4.9878 5.0586 5.0586 5.0638 5.0638 5.1779 5.1779 5.2044 5.2044 5.9108 5.9108 5.9211 5.9211 6.2963 6.2963 6.3087 6.3087 14.3038 14.3038 14.3049 14.3049 16.1023 16.1023 k = 0.5000 0.3361 0.2921 ( 2652 PWs) bands (ev): -17.7396 -17.7396 -17.7393 -17.7393 -17.6141 -17.6141 -17.6139 -17.6139 -1.5420 -1.5420 -1.5410 -1.5410 -0.7165 -0.7165 -0.7155 -0.7155 0.1591 0.1591 0.1599 0.1599 0.3022 0.3022 0.3051 0.3051 1.6864 1.6864 1.6948 1.6948 1.8516 1.8516 1.8604 1.8604 4.9712 4.9712 4.9976 4.9976 5.0492 5.0492 5.0583 5.0583 5.1787 5.1787 5.1984 5.1984 5.9278 5.9278 5.9362 5.9362 6.2800 6.2800 6.2901 6.2901 14.2974 14.2974 14.2983 14.2983 16.1269 16.1269 k = 0.5000 0.3361 0.3018 ( 2656 PWs) bands (ev): -17.7398 -17.7398 -17.7396 -17.7396 -17.6138 -17.6138 -17.6137 -17.6137 -1.5458 -1.5458 -1.5451 -1.5451 -0.7176 -0.7176 -0.7169 -0.7169 0.1582 0.1582 0.1588 0.1588 0.3065 0.3065 0.3083 0.3083 1.6950 1.6950 1.7009 1.7009 1.8501 1.8501 1.8563 1.8563 4.9826 4.9826 5.0052 5.0052 5.0410 5.0410 5.0521 5.0521 5.1801 5.1801 5.1932 5.1932 5.9416 5.9416 5.9477 5.9477 6.2677 6.2677 6.2749 6.2749 14.2929 14.2929 14.2935 14.2935 16.1458 16.1458 k = 0.5000 0.3361 0.3115 ( 2660 PWs) bands (ev): -17.7399 -17.7399 -17.7398 -17.7398 -17.6136 -17.6136 -17.6135 -17.6135 -1.5480 -1.5480 -1.5477 -1.5477 -0.7182 -0.7182 -0.7179 -0.7179 0.1577 0.1577 0.1580 0.1580 0.3092 0.3092 0.3101 0.3101 1.7010 1.7010 1.7041 1.7041 1.8497 1.8497 1.8530 1.8530 4.9934 4.9934 5.0076 5.0076 5.0371 5.0371 5.0456 5.0456 5.1823 5.1823 5.1888 5.1888 5.9513 5.9513 5.9545 5.9545 6.2606 6.2606 6.2644 6.2644 14.2903 14.2903 14.2906 14.2906 16.1582 16.1582 k = 0.5000 0.3361 0.3213 ( 2656 PWs) bands (ev): -17.7399 -17.7399 -17.7399 -17.7399 -17.6135 -17.6135 -17.6135 -17.6135 -1.5487 -1.5487 -1.5487 -1.5487 -0.7183 -0.7183 -0.7183 -0.7183 0.1577 0.1577 0.1577 0.1577 0.3104 0.3104 0.3104 0.3104 1.7041 1.7041 1.7041 1.7041 1.8507 1.8507 1.8507 1.8507 5.0027 5.0027 5.0027 5.0027 5.0397 5.0397 5.0397 5.0397 5.1852 5.1852 5.1852 5.1852 5.9557 5.9557 5.9557 5.9557 6.2595 6.2595 6.2595 6.2595 14.2895 14.2895 14.2895 14.2895 16.1632 16.1632 Writing output data file NiF2.save init_run : 0.38s CPU 0.57s WALL ( 1 calls) electrons : 345.32s CPU 347.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 345.31s CPU 347.23s 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 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 492 calls) cegterg : 324.89s CPU 326.49s WALL ( 932 calls) Called by sum_band: Called by *egterg: h_psi : 169.85s CPU 177.03s WALL ( 16305 calls) s_psi : 11.48s CPU 12.06s WALL ( 16305 calls) g_psi : 0.29s CPU 0.40s WALL ( 14881 calls) cdiaghg : 123.39s CPU 120.92s WALL ( 15373 calls) cegterg:over : 14.25s CPU 12.06s WALL ( 14881 calls) cegterg:upda : 2.20s CPU 4.53s WALL ( 14881 calls) cegterg:last : 2.13s CPU 2.78s WALL ( 2166 calls) Called by h_psi: h_psi:vloc : 156.41s CPU 161.14s WALL ( 16305 calls) h_psi:vnl : 13.39s CPU 15.65s WALL ( 16305 calls) add_vuspsi : 5.40s CPU 7.90s WALL ( 16305 calls) General routines calbec : 7.97s CPU 7.71s WALL ( 16305 calls) fft : 0.02s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 153.84s CPU 155.42s WALL ( 1526704 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.20s WALL ( 984 calls) Parallel routines fft_scatter : 130.93s CPU 104.47s WALL ( 1526727 calls) PWSCF : 6m16.56s CPU 6m31.29s WALL This run was terminated on: 16:45:52 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=