Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:16:41 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: ./FeSb2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 30 9 1619 1056 174 Max 40 31 11 1624 1087 179 Sum 1271 969 293 51871 34345 5653 bravais-lattice index = 14 lattice parameter (alat) = 6.0263 a.u. unit-cell volume = 816.4827 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.026336 celldm(2)= 1.824710 celldm(3)= 2.044528 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 1.824710 0.000000 ) a(3) = ( 0.000000 0.000000 2.044528 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.548032 -0.000000 ) b(3) = ( 0.000000 0.000000 0.489110 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Sb 5.00 121.76000 Sb( 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 ) ( 0.9123550 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0222640 ) 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 ) ( 0.9123550 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0222640 ) 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 ) ( 0.9123550 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0222640 ) 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 ) ( 0.9123550 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0222640 ) 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= 420 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0023810 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0023810 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0023810 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0023810 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0023810 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0023810 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0023810 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 53) = ( 0.5000000 0.0101487 -0.0000000), wk = 0.0023810 k( 54) = ( 0.5000000 0.0202975 -0.0000000), wk = 0.0023810 k( 55) = ( 0.5000000 0.0304462 -0.0000000), wk = 0.0023810 k( 56) = ( 0.5000000 0.0405950 -0.0000000), wk = 0.0023810 k( 57) = ( 0.5000000 0.0507437 -0.0000000), wk = 0.0023810 k( 58) = ( 0.5000000 0.0608925 -0.0000000), wk = 0.0023810 k( 59) = ( 0.5000000 0.0710412 -0.0000000), wk = 0.0023810 k( 60) = ( 0.5000000 0.0811900 -0.0000000), wk = 0.0023810 k( 61) = ( 0.5000000 0.0913387 -0.0000000), wk = 0.0023810 k( 62) = ( 0.5000000 0.1014875 -0.0000000), wk = 0.0023810 k( 63) = ( 0.5000000 0.1116362 -0.0000000), wk = 0.0023810 k( 64) = ( 0.5000000 0.1217850 -0.0000000), wk = 0.0023810 k( 65) = ( 0.5000000 0.1319337 -0.0000000), wk = 0.0023810 k( 66) = ( 0.5000000 0.1420825 -0.0000000), wk = 0.0023810 k( 67) = ( 0.5000000 0.1522312 -0.0000000), wk = 0.0023810 k( 68) = ( 0.5000000 0.1623799 -0.0000000), wk = 0.0023810 k( 69) = ( 0.5000000 0.1725287 -0.0000000), wk = 0.0023810 k( 70) = ( 0.5000000 0.1826774 -0.0000000), wk = 0.0023810 k( 71) = ( 0.5000000 0.1928262 -0.0000000), wk = 0.0023810 k( 72) = ( 0.5000000 0.2029749 -0.0000000), wk = 0.0023810 k( 73) = ( 0.5000000 0.2131237 -0.0000000), wk = 0.0023810 k( 74) = ( 0.5000000 0.2232724 -0.0000000), wk = 0.0023810 k( 75) = ( 0.5000000 0.2334212 -0.0000000), wk = 0.0023810 k( 76) = ( 0.5000000 0.2435699 -0.0000000), wk = 0.0023810 k( 77) = ( 0.5000000 0.2537187 -0.0000000), wk = 0.0023810 k( 78) = ( 0.5000000 0.2638674 -0.0000000), wk = 0.0023810 k( 79) = ( 0.5000000 0.2740162 -0.0000000), wk = 0.0023810 k( 80) = ( 0.5000000 0.2740162 -0.0000000), wk = 0.0023810 k( 81) = ( 0.4900000 0.2740162 -0.0000000), wk = 0.0023810 k( 82) = ( 0.4800000 0.2740162 -0.0000000), wk = 0.0023810 k( 83) = ( 0.4700000 0.2740162 -0.0000000), wk = 0.0023810 k( 84) = ( 0.4600000 0.2740162 -0.0000000), wk = 0.0023810 k( 85) = ( 0.4500000 0.2740162 -0.0000000), wk = 0.0023810 k( 86) = ( 0.4400000 0.2740162 -0.0000000), wk = 0.0023810 k( 87) = ( 0.4300000 0.2740162 -0.0000000), wk = 0.0023810 k( 88) = ( 0.4200000 0.2740162 -0.0000000), wk = 0.0023810 k( 89) = ( 0.4100000 0.2740162 -0.0000000), wk = 0.0023810 k( 90) = ( 0.4000000 0.2740162 -0.0000000), wk = 0.0023810 k( 91) = ( 0.3900000 0.2740162 -0.0000000), wk = 0.0023810 k( 92) = ( 0.3800000 0.2740162 -0.0000000), wk = 0.0023810 k( 93) = ( 0.3700000 0.2740162 -0.0000000), wk = 0.0023810 k( 94) = ( 0.3600000 0.2740162 -0.0000000), wk = 0.0023810 k( 95) = ( 0.3500000 0.2740162 -0.0000000), wk = 0.0023810 k( 96) = ( 0.3400000 0.2740162 -0.0000000), wk = 0.0023810 k( 97) = ( 0.3300000 0.2740162 -0.0000000), wk = 0.0023810 k( 98) = ( 0.3200000 0.2740162 -0.0000000), wk = 0.0023810 k( 99) = ( 0.3100000 0.2740162 -0.0000000), wk = 0.0023810 k( 100) = ( 0.3000000 0.2740162 -0.0000000), wk = 0.0023810 k( 101) = ( 0.2900000 0.2740162 -0.0000000), wk = 0.0023810 k( 102) = ( 0.2800000 0.2740162 -0.0000000), wk = 0.0023810 k( 103) = ( 0.2700000 0.2740162 -0.0000000), wk = 0.0023810 k( 104) = ( 0.2600000 0.2740162 -0.0000000), wk = 0.0023810 k( 105) = ( 0.2500000 0.2740162 -0.0000000), wk = 0.0023810 k( 106) = ( 0.2400000 0.2740162 -0.0000000), wk = 0.0023810 k( 107) = ( 0.2300000 0.2740162 -0.0000000), wk = 0.0023810 k( 108) = ( 0.2200000 0.2740162 -0.0000000), wk = 0.0023810 k( 109) = ( 0.2100000 0.2740162 -0.0000000), wk = 0.0023810 k( 110) = ( 0.2000000 0.2740162 -0.0000000), wk = 0.0023810 k( 111) = ( 0.1900000 0.2740162 -0.0000000), wk = 0.0023810 k( 112) = ( 0.1800000 0.2740162 -0.0000000), wk = 0.0023810 k( 113) = ( 0.1700000 0.2740162 -0.0000000), wk = 0.0023810 k( 114) = ( 0.1600000 0.2740162 -0.0000000), wk = 0.0023810 k( 115) = ( 0.1500000 0.2740162 -0.0000000), wk = 0.0023810 k( 116) = ( 0.1400000 0.2740162 -0.0000000), wk = 0.0023810 k( 117) = ( 0.1300000 0.2740162 -0.0000000), wk = 0.0023810 k( 118) = ( 0.1200000 0.2740162 -0.0000000), wk = 0.0023810 k( 119) = ( 0.1100000 0.2740162 -0.0000000), wk = 0.0023810 k( 120) = ( 0.1000000 0.2740162 -0.0000000), wk = 0.0023810 k( 121) = ( 0.0900000 0.2740162 -0.0000000), wk = 0.0023810 k( 122) = ( 0.0800000 0.2740162 -0.0000000), wk = 0.0023810 k( 123) = ( 0.0700000 0.2740162 -0.0000000), wk = 0.0023810 k( 124) = ( 0.0600000 0.2740162 -0.0000000), wk = 0.0023810 k( 125) = ( 0.0500000 0.2740162 -0.0000000), wk = 0.0023810 k( 126) = ( 0.0400000 0.2740162 -0.0000000), wk = 0.0023810 k( 127) = ( 0.0300000 0.2740162 -0.0000000), wk = 0.0023810 k( 128) = ( 0.0200000 0.2740162 -0.0000000), wk = 0.0023810 k( 129) = ( 0.0100000 0.2740162 -0.0000000), wk = 0.0023810 k( 130) = ( 0.0000000 0.2740162 -0.0000000), wk = 0.0023810 k( 131) = ( 0.0000000 0.2740162 -0.0000000), wk = 0.0023810 k( 132) = ( 0.0000000 0.2638674 -0.0000000), wk = 0.0023810 k( 133) = ( 0.0000000 0.2537187 -0.0000000), wk = 0.0023810 k( 134) = ( 0.0000000 0.2435699 -0.0000000), wk = 0.0023810 k( 135) = ( 0.0000000 0.2334212 -0.0000000), wk = 0.0023810 k( 136) = ( 0.0000000 0.2232724 -0.0000000), wk = 0.0023810 k( 137) = ( 0.0000000 0.2131237 -0.0000000), wk = 0.0023810 k( 138) = ( 0.0000000 0.2029749 -0.0000000), wk = 0.0023810 k( 139) = ( 0.0000000 0.1928262 -0.0000000), wk = 0.0023810 k( 140) = ( 0.0000000 0.1826774 -0.0000000), wk = 0.0023810 k( 141) = ( 0.0000000 0.1725287 -0.0000000), wk = 0.0023810 k( 142) = ( 0.0000000 0.1623799 -0.0000000), wk = 0.0023810 k( 143) = ( 0.0000000 0.1522312 -0.0000000), wk = 0.0023810 k( 144) = ( 0.0000000 0.1420825 -0.0000000), wk = 0.0023810 k( 145) = ( 0.0000000 0.1319337 -0.0000000), wk = 0.0023810 k( 146) = ( 0.0000000 0.1217850 -0.0000000), wk = 0.0023810 k( 147) = ( 0.0000000 0.1116362 -0.0000000), wk = 0.0023810 k( 148) = ( 0.0000000 0.1014875 -0.0000000), wk = 0.0023810 k( 149) = ( 0.0000000 0.0913387 -0.0000000), wk = 0.0023810 k( 150) = ( 0.0000000 0.0811900 -0.0000000), wk = 0.0023810 k( 151) = ( 0.0000000 0.0710412 -0.0000000), wk = 0.0023810 k( 152) = ( 0.0000000 0.0608925 -0.0000000), wk = 0.0023810 k( 153) = ( 0.0000000 0.0507437 -0.0000000), wk = 0.0023810 k( 154) = ( 0.0000000 0.0405950 -0.0000000), wk = 0.0023810 k( 155) = ( 0.0000000 0.0304462 -0.0000000), wk = 0.0023810 k( 156) = ( 0.0000000 0.0202975 -0.0000000), wk = 0.0023810 k( 157) = ( 0.0000000 0.0101487 -0.0000000), wk = 0.0023810 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 160) = ( 0.0000000 0.0000000 0.0097822), wk = 0.0023810 k( 161) = ( 0.0000000 0.0000000 0.0195644), wk = 0.0023810 k( 162) = ( 0.0000000 0.0000000 0.0293466), wk = 0.0023810 k( 163) = ( 0.0000000 0.0000000 0.0391288), wk = 0.0023810 k( 164) = ( 0.0000000 0.0000000 0.0489110), wk = 0.0023810 k( 165) = ( 0.0000000 0.0000000 0.0586933), wk = 0.0023810 k( 166) = ( 0.0000000 0.0000000 0.0684755), wk = 0.0023810 k( 167) = ( 0.0000000 0.0000000 0.0782577), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.0880399), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.0978221), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.1076043), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.1173865), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.1271687), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.1369509), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.1467331), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.1565153), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.1662975), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.1760798), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.1858620), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.1956442), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.2054264), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.2152086), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.2249908), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.2347730), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.2445552), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.2445552), wk = 0.0023810 k( 186) = ( 0.0100000 -0.0000000 0.2445552), wk = 0.0023810 k( 187) = ( 0.0200000 -0.0000000 0.2445552), wk = 0.0023810 k( 188) = ( 0.0300000 -0.0000000 0.2445552), wk = 0.0023810 k( 189) = ( 0.0400000 -0.0000000 0.2445552), wk = 0.0023810 k( 190) = ( 0.0500000 -0.0000000 0.2445552), wk = 0.0023810 k( 191) = ( 0.0600000 -0.0000000 0.2445552), wk = 0.0023810 k( 192) = ( 0.0700000 -0.0000000 0.2445552), wk = 0.0023810 k( 193) = ( 0.0800000 -0.0000000 0.2445552), wk = 0.0023810 k( 194) = ( 0.0900000 -0.0000000 0.2445552), wk = 0.0023810 k( 195) = ( 0.1000000 -0.0000000 0.2445552), wk = 0.0023810 k( 196) = ( 0.1100000 -0.0000000 0.2445552), wk = 0.0023810 k( 197) = ( 0.1200000 -0.0000000 0.2445552), wk = 0.0023810 k( 198) = ( 0.1300000 -0.0000000 0.2445552), wk = 0.0023810 k( 199) = ( 0.1400000 -0.0000000 0.2445552), wk = 0.0023810 k( 200) = ( 0.1500000 -0.0000000 0.2445552), wk = 0.0023810 k( 201) = ( 0.1600000 -0.0000000 0.2445552), wk = 0.0023810 k( 202) = ( 0.1700000 -0.0000000 0.2445552), wk = 0.0023810 k( 203) = ( 0.1800000 -0.0000000 0.2445552), wk = 0.0023810 k( 204) = ( 0.1900000 -0.0000000 0.2445552), wk = 0.0023810 k( 205) = ( 0.2000000 -0.0000000 0.2445552), wk = 0.0023810 k( 206) = ( 0.2100000 -0.0000000 0.2445552), wk = 0.0023810 k( 207) = ( 0.2200000 -0.0000000 0.2445552), wk = 0.0023810 k( 208) = ( 0.2300000 -0.0000000 0.2445552), wk = 0.0023810 k( 209) = ( 0.2400000 -0.0000000 0.2445552), wk = 0.0023810 k( 210) = ( 0.2500000 -0.0000000 0.2445552), wk = 0.0023810 k( 211) = ( 0.2600000 -0.0000000 0.2445552), wk = 0.0023810 k( 212) = ( 0.2700000 -0.0000000 0.2445552), wk = 0.0023810 k( 213) = ( 0.2800000 -0.0000000 0.2445552), wk = 0.0023810 k( 214) = ( 0.2900000 -0.0000000 0.2445552), wk = 0.0023810 k( 215) = ( 0.3000000 -0.0000000 0.2445552), wk = 0.0023810 k( 216) = ( 0.3100000 -0.0000000 0.2445552), wk = 0.0023810 k( 217) = ( 0.3200000 -0.0000000 0.2445552), wk = 0.0023810 k( 218) = ( 0.3300000 -0.0000000 0.2445552), wk = 0.0023810 k( 219) = ( 0.3400000 -0.0000000 0.2445552), wk = 0.0023810 k( 220) = ( 0.3500000 -0.0000000 0.2445552), wk = 0.0023810 k( 221) = ( 0.3600000 -0.0000000 0.2445552), wk = 0.0023810 k( 222) = ( 0.3700000 -0.0000000 0.2445552), wk = 0.0023810 k( 223) = ( 0.3800000 -0.0000000 0.2445552), wk = 0.0023810 k( 224) = ( 0.3900000 -0.0000000 0.2445552), wk = 0.0023810 k( 225) = ( 0.4000000 -0.0000000 0.2445552), wk = 0.0023810 k( 226) = ( 0.4100000 -0.0000000 0.2445552), wk = 0.0023810 k( 227) = ( 0.4200000 -0.0000000 0.2445552), wk = 0.0023810 k( 228) = ( 0.4300000 -0.0000000 0.2445552), wk = 0.0023810 k( 229) = ( 0.4400000 -0.0000000 0.2445552), wk = 0.0023810 k( 230) = ( 0.4500000 -0.0000000 0.2445552), wk = 0.0023810 k( 231) = ( 0.4600000 -0.0000000 0.2445552), wk = 0.0023810 k( 232) = ( 0.4700000 -0.0000000 0.2445552), wk = 0.0023810 k( 233) = ( 0.4800000 -0.0000000 0.2445552), wk = 0.0023810 k( 234) = ( 0.4900000 -0.0000000 0.2445552), wk = 0.0023810 k( 235) = ( 0.5000000 -0.0000000 0.2445552), wk = 0.0023810 k( 236) = ( 0.5000000 -0.0000000 0.2445552), wk = 0.0023810 k( 237) = ( 0.5000000 0.0101487 0.2445552), wk = 0.0023810 k( 238) = ( 0.5000000 0.0202975 0.2445552), wk = 0.0023810 k( 239) = ( 0.5000000 0.0304462 0.2445552), wk = 0.0023810 k( 240) = ( 0.5000000 0.0405950 0.2445552), wk = 0.0023810 k( 241) = ( 0.5000000 0.0507437 0.2445552), wk = 0.0023810 k( 242) = ( 0.5000000 0.0608925 0.2445552), wk = 0.0023810 k( 243) = ( 0.5000000 0.0710412 0.2445552), wk = 0.0023810 k( 244) = ( 0.5000000 0.0811900 0.2445552), wk = 0.0023810 k( 245) = ( 0.5000000 0.0913387 0.2445552), wk = 0.0023810 k( 246) = ( 0.5000000 0.1014875 0.2445552), wk = 0.0023810 k( 247) = ( 0.5000000 0.1116362 0.2445552), wk = 0.0023810 k( 248) = ( 0.5000000 0.1217850 0.2445552), wk = 0.0023810 k( 249) = ( 0.5000000 0.1319337 0.2445552), wk = 0.0023810 k( 250) = ( 0.5000000 0.1420825 0.2445552), wk = 0.0023810 k( 251) = ( 0.5000000 0.1522312 0.2445552), wk = 0.0023810 k( 252) = ( 0.5000000 0.1623799 0.2445552), wk = 0.0023810 k( 253) = ( 0.5000000 0.1725287 0.2445552), wk = 0.0023810 k( 254) = ( 0.5000000 0.1826774 0.2445552), wk = 0.0023810 k( 255) = ( 0.5000000 0.1928262 0.2445552), wk = 0.0023810 k( 256) = ( 0.5000000 0.2029749 0.2445552), wk = 0.0023810 k( 257) = ( 0.5000000 0.2131237 0.2445552), wk = 0.0023810 k( 258) = ( 0.5000000 0.2232724 0.2445552), wk = 0.0023810 k( 259) = ( 0.5000000 0.2334212 0.2445552), wk = 0.0023810 k( 260) = ( 0.5000000 0.2435699 0.2445552), wk = 0.0023810 k( 261) = ( 0.5000000 0.2537187 0.2445552), wk = 0.0023810 k( 262) = ( 0.5000000 0.2638674 0.2445552), wk = 0.0023810 k( 263) = ( 0.5000000 0.2740162 0.2445552), wk = 0.0023810 k( 264) = ( 0.5000000 0.2740162 0.2445552), wk = 0.0023810 k( 265) = ( 0.4900000 0.2740162 0.2445552), wk = 0.0023810 k( 266) = ( 0.4800000 0.2740162 0.2445552), wk = 0.0023810 k( 267) = ( 0.4700000 0.2740162 0.2445552), wk = 0.0023810 k( 268) = ( 0.4600000 0.2740162 0.2445552), wk = 0.0023810 k( 269) = ( 0.4500000 0.2740162 0.2445552), wk = 0.0023810 k( 270) = ( 0.4400000 0.2740162 0.2445552), wk = 0.0023810 k( 271) = ( 0.4300000 0.2740162 0.2445552), wk = 0.0023810 k( 272) = ( 0.4200000 0.2740162 0.2445552), wk = 0.0023810 k( 273) = ( 0.4100000 0.2740162 0.2445552), wk = 0.0023810 k( 274) = ( 0.4000000 0.2740162 0.2445552), wk = 0.0023810 k( 275) = ( 0.3900000 0.2740162 0.2445552), wk = 0.0023810 k( 276) = ( 0.3800000 0.2740162 0.2445552), wk = 0.0023810 k( 277) = ( 0.3700000 0.2740162 0.2445552), wk = 0.0023810 k( 278) = ( 0.3600000 0.2740162 0.2445552), wk = 0.0023810 k( 279) = ( 0.3500000 0.2740162 0.2445552), wk = 0.0023810 k( 280) = ( 0.3400000 0.2740162 0.2445552), wk = 0.0023810 k( 281) = ( 0.3300000 0.2740162 0.2445552), wk = 0.0023810 k( 282) = ( 0.3200000 0.2740162 0.2445552), wk = 0.0023810 k( 283) = ( 0.3100000 0.2740162 0.2445552), wk = 0.0023810 k( 284) = ( 0.3000000 0.2740162 0.2445552), wk = 0.0023810 k( 285) = ( 0.2900000 0.2740162 0.2445552), wk = 0.0023810 k( 286) = ( 0.2800000 0.2740162 0.2445552), wk = 0.0023810 k( 287) = ( 0.2700000 0.2740162 0.2445552), wk = 0.0023810 k( 288) = ( 0.2600000 0.2740162 0.2445552), wk = 0.0023810 k( 289) = ( 0.2500000 0.2740162 0.2445552), wk = 0.0023810 k( 290) = ( 0.2400000 0.2740162 0.2445552), wk = 0.0023810 k( 291) = ( 0.2300000 0.2740162 0.2445552), wk = 0.0023810 k( 292) = ( 0.2200000 0.2740162 0.2445552), wk = 0.0023810 k( 293) = ( 0.2100000 0.2740162 0.2445552), wk = 0.0023810 k( 294) = ( 0.2000000 0.2740162 0.2445552), wk = 0.0023810 k( 295) = ( 0.1900000 0.2740162 0.2445552), wk = 0.0023810 k( 296) = ( 0.1800000 0.2740162 0.2445552), wk = 0.0023810 k( 297) = ( 0.1700000 0.2740162 0.2445552), wk = 0.0023810 k( 298) = ( 0.1600000 0.2740162 0.2445552), wk = 0.0023810 k( 299) = ( 0.1500000 0.2740162 0.2445552), wk = 0.0023810 k( 300) = ( 0.1400000 0.2740162 0.2445552), wk = 0.0023810 k( 301) = ( 0.1300000 0.2740162 0.2445552), wk = 0.0023810 k( 302) = ( 0.1200000 0.2740162 0.2445552), wk = 0.0023810 k( 303) = ( 0.1100000 0.2740162 0.2445552), wk = 0.0023810 k( 304) = ( 0.1000000 0.2740162 0.2445552), wk = 0.0023810 k( 305) = ( 0.0900000 0.2740162 0.2445552), wk = 0.0023810 k( 306) = ( 0.0800000 0.2740162 0.2445552), wk = 0.0023810 k( 307) = ( 0.0700000 0.2740162 0.2445552), wk = 0.0023810 k( 308) = ( 0.0600000 0.2740162 0.2445552), wk = 0.0023810 k( 309) = ( 0.0500000 0.2740162 0.2445552), wk = 0.0023810 k( 310) = ( 0.0400000 0.2740162 0.2445552), wk = 0.0023810 k( 311) = ( 0.0300000 0.2740162 0.2445552), wk = 0.0023810 k( 312) = ( 0.0200000 0.2740162 0.2445552), wk = 0.0023810 k( 313) = ( 0.0100000 0.2740162 0.2445552), wk = 0.0023810 k( 314) = ( 0.0000000 0.2740162 0.2445552), wk = 0.0023810 k( 315) = ( 0.0000000 0.2740162 0.2445552), wk = 0.0023810 k( 316) = ( 0.0000000 0.2638674 0.2445552), wk = 0.0023810 k( 317) = ( 0.0000000 0.2537187 0.2445552), wk = 0.0023810 k( 318) = ( 0.0000000 0.2435699 0.2445552), wk = 0.0023810 k( 319) = ( 0.0000000 0.2334212 0.2445552), wk = 0.0023810 k( 320) = ( 0.0000000 0.2232724 0.2445552), wk = 0.0023810 k( 321) = ( 0.0000000 0.2131237 0.2445552), wk = 0.0023810 k( 322) = ( 0.0000000 0.2029749 0.2445552), wk = 0.0023810 k( 323) = ( 0.0000000 0.1928262 0.2445552), wk = 0.0023810 k( 324) = ( 0.0000000 0.1826774 0.2445552), wk = 0.0023810 k( 325) = ( 0.0000000 0.1725287 0.2445552), wk = 0.0023810 k( 326) = ( 0.0000000 0.1623799 0.2445552), wk = 0.0023810 k( 327) = ( 0.0000000 0.1522312 0.2445552), wk = 0.0023810 k( 328) = ( 0.0000000 0.1420825 0.2445552), wk = 0.0023810 k( 329) = ( 0.0000000 0.1319337 0.2445552), wk = 0.0023810 k( 330) = ( 0.0000000 0.1217850 0.2445552), wk = 0.0023810 k( 331) = ( 0.0000000 0.1116362 0.2445552), wk = 0.0023810 k( 332) = ( 0.0000000 0.1014875 0.2445552), wk = 0.0023810 k( 333) = ( 0.0000000 0.0913387 0.2445552), wk = 0.0023810 k( 334) = ( 0.0000000 0.0811900 0.2445552), wk = 0.0023810 k( 335) = ( 0.0000000 0.0710412 0.2445552), wk = 0.0023810 k( 336) = ( 0.0000000 0.0608925 0.2445552), wk = 0.0023810 k( 337) = ( 0.0000000 0.0507437 0.2445552), wk = 0.0023810 k( 338) = ( 0.0000000 0.0405950 0.2445552), wk = 0.0023810 k( 339) = ( 0.0000000 0.0304462 0.2445552), wk = 0.0023810 k( 340) = ( 0.0000000 0.0202975 0.2445552), wk = 0.0023810 k( 341) = ( 0.0000000 0.0101487 0.2445552), wk = 0.0023810 k( 342) = ( 0.0000000 0.0000000 0.2445552), wk = 0.0023810 k( 343) = ( 0.0000000 0.2740162 -0.0000000), wk = 0.0023810 k( 344) = ( 0.0000000 0.2740162 0.0097822), wk = 0.0023810 k( 345) = ( 0.0000000 0.2740162 0.0195644), wk = 0.0023810 k( 346) = ( 0.0000000 0.2740162 0.0293466), wk = 0.0023810 k( 347) = ( 0.0000000 0.2740162 0.0391288), wk = 0.0023810 k( 348) = ( 0.0000000 0.2740162 0.0489110), wk = 0.0023810 k( 349) = ( 0.0000000 0.2740162 0.0586933), wk = 0.0023810 k( 350) = ( 0.0000000 0.2740162 0.0684755), wk = 0.0023810 k( 351) = ( 0.0000000 0.2740162 0.0782577), wk = 0.0023810 k( 352) = ( 0.0000000 0.2740162 0.0880399), wk = 0.0023810 k( 353) = ( 0.0000000 0.2740162 0.0978221), wk = 0.0023810 k( 354) = ( 0.0000000 0.2740162 0.1076043), wk = 0.0023810 k( 355) = ( 0.0000000 0.2740162 0.1173865), wk = 0.0023810 k( 356) = ( 0.0000000 0.2740162 0.1271687), wk = 0.0023810 k( 357) = ( 0.0000000 0.2740162 0.1369509), wk = 0.0023810 k( 358) = ( 0.0000000 0.2740162 0.1467331), wk = 0.0023810 k( 359) = ( 0.0000000 0.2740162 0.1565153), wk = 0.0023810 k( 360) = ( 0.0000000 0.2740162 0.1662975), wk = 0.0023810 k( 361) = ( 0.0000000 0.2740162 0.1760798), wk = 0.0023810 k( 362) = ( 0.0000000 0.2740162 0.1858620), wk = 0.0023810 k( 363) = ( 0.0000000 0.2740162 0.1956442), wk = 0.0023810 k( 364) = ( 0.0000000 0.2740162 0.2054264), wk = 0.0023810 k( 365) = ( 0.0000000 0.2740162 0.2152086), wk = 0.0023810 k( 366) = ( 0.0000000 0.2740162 0.2249908), wk = 0.0023810 k( 367) = ( 0.0000000 0.2740162 0.2347730), wk = 0.0023810 k( 368) = ( 0.0000000 0.2740162 0.2445552), wk = 0.0023810 k( 369) = ( 0.5000000 -0.0000000 0.2445552), wk = 0.0023810 k( 370) = ( 0.5000000 -0.0000000 0.2347730), wk = 0.0023810 k( 371) = ( 0.5000000 -0.0000000 0.2249908), wk = 0.0023810 k( 372) = ( 0.5000000 -0.0000000 0.2152086), wk = 0.0023810 k( 373) = ( 0.5000000 -0.0000000 0.2054264), wk = 0.0023810 k( 374) = ( 0.5000000 -0.0000000 0.1956442), wk = 0.0023810 k( 375) = ( 0.5000000 -0.0000000 0.1858620), wk = 0.0023810 k( 376) = ( 0.5000000 -0.0000000 0.1760798), wk = 0.0023810 k( 377) = ( 0.5000000 -0.0000000 0.1662975), wk = 0.0023810 k( 378) = ( 0.5000000 -0.0000000 0.1565153), wk = 0.0023810 k( 379) = ( 0.5000000 -0.0000000 0.1467331), wk = 0.0023810 k( 380) = ( 0.5000000 -0.0000000 0.1369509), wk = 0.0023810 k( 381) = ( 0.5000000 -0.0000000 0.1271687), wk = 0.0023810 k( 382) = ( 0.5000000 -0.0000000 0.1173865), wk = 0.0023810 k( 383) = ( 0.5000000 -0.0000000 0.1076043), wk = 0.0023810 k( 384) = ( 0.5000000 -0.0000000 0.0978221), wk = 0.0023810 k( 385) = ( 0.5000000 -0.0000000 0.0880399), wk = 0.0023810 k( 386) = ( 0.5000000 -0.0000000 0.0782577), wk = 0.0023810 k( 387) = ( 0.5000000 -0.0000000 0.0684755), wk = 0.0023810 k( 388) = ( 0.5000000 -0.0000000 0.0586933), wk = 0.0023810 k( 389) = ( 0.5000000 -0.0000000 0.0489110), wk = 0.0023810 k( 390) = ( 0.5000000 -0.0000000 0.0391288), wk = 0.0023810 k( 391) = ( 0.5000000 -0.0000000 0.0293466), wk = 0.0023810 k( 392) = ( 0.5000000 -0.0000000 0.0195644), wk = 0.0023810 k( 393) = ( 0.5000000 -0.0000000 0.0097822), wk = 0.0023810 k( 394) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 395) = ( 0.5000000 0.2740162 -0.0000000), wk = 0.0023810 k( 396) = ( 0.5000000 0.2740162 0.0097822), wk = 0.0023810 k( 397) = ( 0.5000000 0.2740162 0.0195644), wk = 0.0023810 k( 398) = ( 0.5000000 0.2740162 0.0293466), wk = 0.0023810 k( 399) = ( 0.5000000 0.2740162 0.0391288), wk = 0.0023810 k( 400) = ( 0.5000000 0.2740162 0.0489110), wk = 0.0023810 k( 401) = ( 0.5000000 0.2740162 0.0586933), wk = 0.0023810 k( 402) = ( 0.5000000 0.2740162 0.0684755), wk = 0.0023810 k( 403) = ( 0.5000000 0.2740162 0.0782577), wk = 0.0023810 k( 404) = ( 0.5000000 0.2740162 0.0880399), wk = 0.0023810 k( 405) = ( 0.5000000 0.2740162 0.0978221), wk = 0.0023810 k( 406) = ( 0.5000000 0.2740162 0.1076043), wk = 0.0023810 k( 407) = ( 0.5000000 0.2740162 0.1173865), wk = 0.0023810 k( 408) = ( 0.5000000 0.2740162 0.1271687), wk = 0.0023810 k( 409) = ( 0.5000000 0.2740162 0.1369509), wk = 0.0023810 k( 410) = ( 0.5000000 0.2740162 0.1467331), wk = 0.0023810 k( 411) = ( 0.5000000 0.2740162 0.1565153), wk = 0.0023810 k( 412) = ( 0.5000000 0.2740162 0.1662975), wk = 0.0023810 k( 413) = ( 0.5000000 0.2740162 0.1760798), wk = 0.0023810 k( 414) = ( 0.5000000 0.2740162 0.1858620), wk = 0.0023810 k( 415) = ( 0.5000000 0.2740162 0.1956442), wk = 0.0023810 k( 416) = ( 0.5000000 0.2740162 0.2054264), wk = 0.0023810 k( 417) = ( 0.5000000 0.2740162 0.2152086), wk = 0.0023810 k( 418) = ( 0.5000000 0.2740162 0.2249908), wk = 0.0023810 k( 419) = ( 0.5000000 0.2740162 0.2347730), wk = 0.0023810 k( 420) = ( 0.5000000 0.2740162 0.2445552), wk = 0.0023810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0100000 0.0000000 -0.0000000), wk = 0.0023810 k( 3) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0023810 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0023810 k( 5) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0023810 k( 6) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0023810 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0023810 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0023810 k( 9) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0023810 k( 10) = ( 0.0900000 0.0000000 -0.0000000), wk = 0.0023810 k( 11) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0023810 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0023810 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0023810 k( 14) = ( 0.1300000 0.0000000 0.0000000), wk = 0.0023810 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0023810 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0023810 k( 17) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0023810 k( 18) = ( 0.1700000 0.0000000 -0.0000000), wk = 0.0023810 k( 19) = ( 0.1800000 0.0000000 -0.0000000), wk = 0.0023810 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0023810 k( 21) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0023810 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0023810 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0023810 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0023810 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0023810 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023810 k( 27) = ( 0.2600000 0.0000000 0.0000000), wk = 0.0023810 k( 28) = ( 0.2700000 0.0000000 -0.0000000), wk = 0.0023810 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0023810 k( 30) = ( 0.2900000 -0.0000000 0.0000000), wk = 0.0023810 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0023810 k( 32) = ( 0.3100000 0.0000000 0.0000000), wk = 0.0023810 k( 33) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0023810 k( 34) = ( 0.3300000 0.0000000 -0.0000000), wk = 0.0023810 k( 35) = ( 0.3400000 0.0000000 -0.0000000), wk = 0.0023810 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 37) = ( 0.3600000 0.0000000 -0.0000000), wk = 0.0023810 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0023810 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0023810 k( 40) = ( 0.3900000 0.0000000 -0.0000000), wk = 0.0023810 k( 41) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0023810 k( 42) = ( 0.4100000 0.0000000 -0.0000000), wk = 0.0023810 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0023810 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0023810 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0023810 k( 46) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0023810 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0023810 k( 48) = ( 0.4700000 0.0000000 -0.0000000), wk = 0.0023810 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0023810 k( 50) = ( 0.4900000 0.0000000 -0.0000000), wk = 0.0023810 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 53) = ( 0.5000000 0.0185185 -0.0000000), wk = 0.0023810 k( 54) = ( 0.5000000 0.0370370 0.0000000), wk = 0.0023810 k( 55) = ( 0.5000000 0.0555556 0.0000000), wk = 0.0023810 k( 56) = ( 0.5000000 0.0740741 0.0000000), wk = 0.0023810 k( 57) = ( 0.5000000 0.0925926 -0.0000000), wk = 0.0023810 k( 58) = ( 0.5000000 0.1111111 0.0000000), wk = 0.0023810 k( 59) = ( 0.5000000 0.1296296 0.0000000), wk = 0.0023810 k( 60) = ( 0.5000000 0.1481481 -0.0000000), wk = 0.0023810 k( 61) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0023810 k( 62) = ( 0.5000000 0.1851852 0.0000000), wk = 0.0023810 k( 63) = ( 0.5000000 0.2037037 -0.0000000), wk = 0.0023810 k( 64) = ( 0.5000000 0.2222222 0.0000000), wk = 0.0023810 k( 65) = ( 0.5000000 0.2407407 0.0000000), wk = 0.0023810 k( 66) = ( 0.5000000 0.2592593 0.0000000), wk = 0.0023810 k( 67) = ( 0.5000000 0.2777778 0.0000000), wk = 0.0023810 k( 68) = ( 0.5000000 0.2962963 0.0000000), wk = 0.0023810 k( 69) = ( 0.5000000 0.3148148 0.0000000), wk = 0.0023810 k( 70) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0023810 k( 71) = ( 0.5000000 0.3518519 0.0000000), wk = 0.0023810 k( 72) = ( 0.5000000 0.3703704 -0.0000000), wk = 0.0023810 k( 73) = ( 0.5000000 0.3888889 0.0000000), wk = 0.0023810 k( 74) = ( 0.5000000 0.4074074 0.0000000), wk = 0.0023810 k( 75) = ( 0.5000000 0.4259259 0.0000000), wk = 0.0023810 k( 76) = ( 0.5000000 0.4444444 0.0000000), wk = 0.0023810 k( 77) = ( 0.5000000 0.4629630 0.0000000), wk = 0.0023810 k( 78) = ( 0.5000000 0.4814815 0.0000000), wk = 0.0023810 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810 k( 81) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0023810 k( 82) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0023810 k( 83) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0023810 k( 84) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0023810 k( 85) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0023810 k( 86) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0023810 k( 87) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0023810 k( 88) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0023810 k( 89) = ( 0.4100000 0.5000000 0.0000000), wk = 0.0023810 k( 90) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0023810 k( 91) = ( 0.3900000 0.5000000 0.0000000), wk = 0.0023810 k( 92) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0023810 k( 93) = ( 0.3700000 0.5000000 0.0000000), wk = 0.0023810 k( 94) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0023810 k( 95) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0023810 k( 96) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0023810 k( 97) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0023810 k( 98) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0023810 k( 99) = ( 0.3100000 0.5000000 0.0000000), wk = 0.0023810 k( 100) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0023810 k( 101) = ( 0.2900000 0.5000000 0.0000000), wk = 0.0023810 k( 102) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0023810 k( 103) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0023810 k( 104) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0023810 k( 105) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0023810 k( 106) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0023810 k( 107) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0023810 k( 108) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0023810 k( 109) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0023810 k( 110) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0023810 k( 111) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0023810 k( 112) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0023810 k( 113) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0023810 k( 114) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0023810 k( 115) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0023810 k( 116) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0023810 k( 117) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0023810 k( 118) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0023810 k( 119) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0023810 k( 120) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0023810 k( 121) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0023810 k( 122) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0023810 k( 123) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0023810 k( 124) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0023810 k( 125) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0023810 k( 126) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0023810 k( 127) = ( 0.0300000 0.5000000 0.0000000), wk = 0.0023810 k( 128) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0023810 k( 129) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0023810 k( 130) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 131) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 132) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0023810 k( 133) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0023810 k( 134) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0023810 k( 135) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0023810 k( 136) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0023810 k( 137) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0023810 k( 138) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0023810 k( 139) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0023810 k( 140) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023810 k( 141) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0023810 k( 142) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0023810 k( 143) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0023810 k( 144) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0023810 k( 145) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0023810 k( 146) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0023810 k( 147) = ( 0.0000000 0.2037037 0.0000000), wk = 0.0023810 k( 148) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0023810 k( 149) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0023810 k( 150) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0023810 k( 151) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0023810 k( 152) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0023810 k( 153) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0023810 k( 154) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0023810 k( 155) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0023810 k( 156) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0023810 k( 157) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0023810 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 160) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0023810 k( 161) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0023810 k( 162) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0023810 k( 163) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0023810 k( 164) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023810 k( 165) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0023810 k( 166) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0023810 k( 167) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 186) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0023810 k( 187) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0023810 k( 188) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0023810 k( 189) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0023810 k( 190) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0023810 k( 191) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0023810 k( 192) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0023810 k( 193) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0023810 k( 194) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0023810 k( 195) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0023810 k( 196) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0023810 k( 197) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0023810 k( 198) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0023810 k( 199) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0023810 k( 200) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0023810 k( 201) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0023810 k( 202) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0023810 k( 203) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0023810 k( 204) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0023810 k( 205) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0023810 k( 206) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0023810 k( 207) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0023810 k( 208) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0023810 k( 209) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0023810 k( 210) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023810 k( 211) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0023810 k( 212) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0023810 k( 213) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0023810 k( 214) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0023810 k( 215) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0023810 k( 216) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0023810 k( 217) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0023810 k( 218) = ( 0.3300000 0.0000000 0.5000000), wk = 0.0023810 k( 219) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0023810 k( 220) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0023810 k( 221) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0023810 k( 222) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0023810 k( 223) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0023810 k( 224) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0023810 k( 225) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0023810 k( 226) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0023810 k( 227) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0023810 k( 228) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0023810 k( 229) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0023810 k( 230) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0023810 k( 231) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0023810 k( 232) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0023810 k( 233) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0023810 k( 234) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0023810 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 237) = ( 0.5000000 0.0185185 0.5000000), wk = 0.0023810 k( 238) = ( 0.5000000 0.0370370 0.5000000), wk = 0.0023810 k( 239) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0023810 k( 240) = ( 0.5000000 0.0740741 0.5000000), wk = 0.0023810 k( 241) = ( 0.5000000 0.0925926 0.5000000), wk = 0.0023810 k( 242) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0023810 k( 243) = ( 0.5000000 0.1296296 0.5000000), wk = 0.0023810 k( 244) = ( 0.5000000 0.1481481 0.5000000), wk = 0.0023810 k( 245) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023810 k( 246) = ( 0.5000000 0.1851852 0.5000000), wk = 0.0023810 k( 247) = ( 0.5000000 0.2037037 0.5000000), wk = 0.0023810 k( 248) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0023810 k( 249) = ( 0.5000000 0.2407407 0.5000000), wk = 0.0023810 k( 250) = ( 0.5000000 0.2592593 0.5000000), wk = 0.0023810 k( 251) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0023810 k( 252) = ( 0.5000000 0.2962963 0.5000000), wk = 0.0023810 k( 253) = ( 0.5000000 0.3148148 0.5000000), wk = 0.0023810 k( 254) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023810 k( 255) = ( 0.5000000 0.3518519 0.5000000), wk = 0.0023810 k( 256) = ( 0.5000000 0.3703704 0.5000000), wk = 0.0023810 k( 257) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0023810 k( 258) = ( 0.5000000 0.4074074 0.5000000), wk = 0.0023810 k( 259) = ( 0.5000000 0.4259259 0.5000000), wk = 0.0023810 k( 260) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0023810 k( 261) = ( 0.5000000 0.4629630 0.5000000), wk = 0.0023810 k( 262) = ( 0.5000000 0.4814815 0.5000000), wk = 0.0023810 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 265) = ( 0.4900000 0.5000000 0.5000000), wk = 0.0023810 k( 266) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0023810 k( 267) = ( 0.4700000 0.5000000 0.5000000), wk = 0.0023810 k( 268) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0023810 k( 269) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0023810 k( 270) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0023810 k( 271) = ( 0.4300000 0.5000000 0.5000000), wk = 0.0023810 k( 272) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0023810 k( 273) = ( 0.4100000 0.5000000 0.5000000), wk = 0.0023810 k( 274) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0023810 k( 275) = ( 0.3900000 0.5000000 0.5000000), wk = 0.0023810 k( 276) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0023810 k( 277) = ( 0.3700000 0.5000000 0.5000000), wk = 0.0023810 k( 278) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0023810 k( 279) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0023810 k( 280) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0023810 k( 281) = ( 0.3300000 0.5000000 0.5000000), wk = 0.0023810 k( 282) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0023810 k( 283) = ( 0.3100000 0.5000000 0.5000000), wk = 0.0023810 k( 284) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0023810 k( 285) = ( 0.2900000 0.5000000 0.5000000), wk = 0.0023810 k( 286) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0023810 k( 287) = ( 0.2700000 0.5000000 0.5000000), wk = 0.0023810 k( 288) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0023810 k( 289) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023810 k( 290) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0023810 k( 291) = ( 0.2300000 0.5000000 0.5000000), wk = 0.0023810 k( 292) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0023810 k( 293) = ( 0.2100000 0.5000000 0.5000000), wk = 0.0023810 k( 294) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0023810 k( 295) = ( 0.1900000 0.5000000 0.5000000), wk = 0.0023810 k( 296) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0023810 k( 297) = ( 0.1700000 0.5000000 0.5000000), wk = 0.0023810 k( 298) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0023810 k( 299) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0023810 k( 300) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0023810 k( 301) = ( 0.1300000 0.5000000 0.5000000), wk = 0.0023810 k( 302) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0023810 k( 303) = ( 0.1100000 0.5000000 0.5000000), wk = 0.0023810 k( 304) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0023810 k( 305) = ( 0.0900000 0.5000000 0.5000000), wk = 0.0023810 k( 306) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0023810 k( 307) = ( 0.0700000 0.5000000 0.5000000), wk = 0.0023810 k( 308) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0023810 k( 309) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0023810 k( 310) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0023810 k( 311) = ( 0.0300000 0.5000000 0.5000000), wk = 0.0023810 k( 312) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0023810 k( 313) = ( 0.0100000 0.5000000 0.5000000), wk = 0.0023810 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 315) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 316) = ( 0.0000000 0.4814815 0.5000000), wk = 0.0023810 k( 317) = ( 0.0000000 0.4629630 0.5000000), wk = 0.0023810 k( 318) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0023810 k( 319) = ( 0.0000000 0.4259259 0.5000000), wk = 0.0023810 k( 320) = ( 0.0000000 0.4074074 0.5000000), wk = 0.0023810 k( 321) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0023810 k( 322) = ( 0.0000000 0.3703704 0.5000000), wk = 0.0023810 k( 323) = ( 0.0000000 0.3518519 0.5000000), wk = 0.0023810 k( 324) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023810 k( 325) = ( 0.0000000 0.3148148 0.5000000), wk = 0.0023810 k( 326) = ( 0.0000000 0.2962963 0.5000000), wk = 0.0023810 k( 327) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0023810 k( 328) = ( 0.0000000 0.2592593 0.5000000), wk = 0.0023810 k( 329) = ( 0.0000000 0.2407407 0.5000000), wk = 0.0023810 k( 330) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0023810 k( 331) = ( 0.0000000 0.2037037 0.5000000), wk = 0.0023810 k( 332) = ( 0.0000000 0.1851852 0.5000000), wk = 0.0023810 k( 333) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023810 k( 334) = ( 0.0000000 0.1481482 0.5000000), wk = 0.0023810 k( 335) = ( 0.0000000 0.1296296 0.5000000), wk = 0.0023810 k( 336) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0023810 k( 337) = ( 0.0000000 0.0925926 0.5000000), wk = 0.0023810 k( 338) = ( 0.0000000 0.0740741 0.5000000), wk = 0.0023810 k( 339) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0023810 k( 340) = ( 0.0000000 0.0370370 0.5000000), wk = 0.0023810 k( 341) = ( 0.0000000 0.0185185 0.5000000), wk = 0.0023810 k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 343) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 344) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0023810 k( 345) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0023810 k( 346) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0023810 k( 347) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0023810 k( 348) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023810 k( 349) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0023810 k( 350) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0023810 k( 351) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0023810 k( 352) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0023810 k( 353) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023810 k( 354) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0023810 k( 355) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0023810 k( 356) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0023810 k( 357) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0023810 k( 358) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023810 k( 359) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0023810 k( 360) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0023810 k( 361) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0023810 k( 362) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0023810 k( 363) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023810 k( 364) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0023810 k( 365) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0023810 k( 366) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0023810 k( 367) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0023810 k( 368) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 369) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 370) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0023810 k( 371) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0023810 k( 372) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0023810 k( 373) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0023810 k( 374) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0023810 k( 375) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0023810 k( 376) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0023810 k( 377) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0023810 k( 378) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0023810 k( 379) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0023810 k( 380) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0023810 k( 381) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0023810 k( 382) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0023810 k( 383) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0023810 k( 384) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0023810 k( 385) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0023810 k( 386) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0023810 k( 387) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0023810 k( 388) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0023810 k( 389) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0023810 k( 390) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0023810 k( 391) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0023810 k( 392) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0023810 k( 393) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0023810 k( 394) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 395) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810 k( 396) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0023810 k( 397) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0023810 k( 398) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0023810 k( 399) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0023810 k( 400) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023810 k( 401) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0023810 k( 402) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0023810 k( 403) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0023810 k( 404) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0023810 k( 405) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023810 k( 406) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0023810 k( 407) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0023810 k( 408) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0023810 k( 409) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0023810 k( 410) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023810 k( 411) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0023810 k( 412) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0023810 k( 413) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0023810 k( 414) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0023810 k( 415) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023810 k( 416) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0023810 k( 417) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0023810 k( 418) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0023810 k( 419) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0023810 k( 420) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 Dense grid: 51871 G-vectors FFT dimensions: ( 30, 60, 64) Smooth grid: 34345 G-vectors FFT dimensions: ( 27, 48, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 274, 44) NL pseudopotentials 0.43 Mb ( 137, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1622) G-vector shells 0.01 Mb ( 831) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 274, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.27 Mb ( 204, 2, 44) The potential is recalculated from file : ./FeSb2.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 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.4 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.4 secs Computing kpt #: 9 total cpu time spent up to now is 12.4 secs Computing kpt #: 10 total cpu time spent up to now is 13.3 secs Computing kpt #: 11 total cpu time spent up to now is 14.3 secs Computing kpt #: 12 total cpu time spent up to now is 15.3 secs Computing kpt #: 13 total cpu time spent up to now is 16.2 secs Computing kpt #: 14 total cpu time spent up to now is 17.1 secs Computing kpt #: 15 total cpu time spent up to now is 18.1 secs Computing kpt #: 16 total cpu time spent up to now is 19.0 secs Computing kpt #: 17 total cpu time spent up to now is 19.9 secs Computing kpt #: 18 total cpu time spent up to now is 20.8 secs Computing kpt #: 19 total cpu time spent up to now is 21.8 secs Computing kpt #: 20 total cpu time spent up to now is 22.7 secs Computing kpt #: 21 total cpu time spent up to now is 23.6 secs Computing kpt #: 22 total cpu time spent up to now is 24.5 secs Computing kpt #: 23 total cpu time spent up to now is 25.4 secs Computing kpt #: 24 total cpu time spent up to now is 26.3 secs Computing kpt #: 25 total cpu time spent up to now is 27.2 secs Computing kpt #: 26 total cpu time spent up to now is 28.2 secs Computing kpt #: 27 total cpu time spent up to now is 29.2 secs Computing kpt #: 28 total cpu time spent up to now is 30.4 secs Computing kpt #: 29 total cpu time spent up to now is 31.5 secs Computing kpt #: 30 total cpu time spent up to now is 32.5 secs Computing kpt #: 31 total cpu time spent up to now is 33.6 secs Computing kpt #: 32 total cpu time spent up to now is 34.7 secs Computing kpt #: 33 total cpu time spent up to now is 35.8 secs Computing kpt #: 34 total cpu time spent up to now is 36.9 secs Computing kpt #: 35 total cpu time spent up to now is 38.0 secs Computing kpt #: 36 total cpu time spent up to now is 39.1 secs Computing kpt #: 37 total cpu time spent up to now is 40.2 secs Computing kpt #: 38 total cpu time spent up to now is 41.2 secs Computing kpt #: 39 total cpu time spent up to now is 42.3 secs Computing kpt #: 40 total cpu time spent up to now is 43.4 secs Computing kpt #: 41 total cpu time spent up to now is 44.4 secs Computing kpt #: 42 total cpu time spent up to now is 45.5 secs Computing kpt #: 43 total cpu time spent up to now is 46.6 secs Computing kpt #: 44 total cpu time spent up to now is 47.6 secs Computing kpt #: 45 total cpu time spent up to now is 48.8 secs Computing kpt #: 46 total cpu time spent up to now is 50.0 secs Computing kpt #: 47 total cpu time spent up to now is 51.3 secs Computing kpt #: 48 total cpu time spent up to now is 52.4 secs Computing kpt #: 49 total cpu time spent up to now is 53.4 secs Computing kpt #: 50 total cpu time spent up to now is 54.5 secs Computing kpt #: 51 total cpu time spent up to now is 55.5 secs Computing kpt #: 52 total cpu time spent up to now is 56.5 secs Computing kpt #: 53 total cpu time spent up to now is 57.5 secs Computing kpt #: 54 total cpu time spent up to now is 58.6 secs Computing kpt #: 55 total cpu time spent up to now is 59.6 secs Computing kpt #: 56 total cpu time spent up to now is 60.6 secs Computing kpt #: 57 total cpu time spent up to now is 61.7 secs Computing kpt #: 58 total cpu time spent up to now is 62.7 secs Computing kpt #: 59 total cpu time spent up to now is 63.8 secs Computing kpt #: 60 total cpu time spent up to now is 64.8 secs Computing kpt #: 61 total cpu time spent up to now is 65.9 secs Computing kpt #: 62 total cpu time spent up to now is 66.9 secs Computing kpt #: 63 total cpu time spent up to now is 67.9 secs Computing kpt #: 64 total cpu time spent up to now is 68.9 secs Computing kpt #: 65 total cpu time spent up to now is 69.9 secs Computing kpt #: 66 total cpu time spent up to now is 70.9 secs Computing kpt #: 67 total cpu time spent up to now is 71.8 secs Computing kpt #: 68 total cpu time spent up to now is 72.8 secs Computing kpt #: 69 total cpu time spent up to now is 73.7 secs Computing kpt #: 70 total cpu time spent up to now is 74.6 secs Computing kpt #: 71 total cpu time spent up to now is 75.5 secs Computing kpt #: 72 total cpu time spent up to now is 76.4 secs Computing kpt #: 73 total cpu time spent up to now is 77.3 secs Computing kpt #: 74 total cpu time spent up to now is 78.1 secs Computing kpt #: 75 total cpu time spent up to now is 79.0 secs Computing kpt #: 76 total cpu time spent up to now is 79.8 secs Computing kpt #: 77 total cpu time spent up to now is 80.5 secs Computing kpt #: 78 total cpu time spent up to now is 81.3 secs Computing kpt #: 79 total cpu time spent up to now is 82.0 secs Computing kpt #: 80 total cpu time spent up to now is 82.8 secs Computing kpt #: 81 total cpu time spent up to now is 83.5 secs Computing kpt #: 82 total cpu time spent up to now is 84.3 secs Computing kpt #: 83 total cpu time spent up to now is 85.0 secs Computing kpt #: 84 total cpu time spent up to now is 85.8 secs Computing kpt #: 85 total cpu time spent up to now is 86.6 secs Computing kpt #: 86 total cpu time spent up to now is 87.4 secs Computing kpt #: 87 total cpu time spent up to now is 88.2 secs Computing kpt #: 88 total cpu time spent up to now is 89.0 secs Computing kpt #: 89 total cpu time spent up to now is 89.8 secs Computing kpt #: 90 total cpu time spent up to now is 90.6 secs Computing kpt #: 91 total cpu time spent up to now is 91.5 secs Computing kpt #: 92 total cpu time spent up to now is 92.4 secs Computing kpt #: 93 total cpu time spent up to now is 93.3 secs Computing kpt #: 94 total cpu time spent up to now is 94.2 secs Computing kpt #: 95 total cpu time spent up to now is 95.1 secs Computing kpt #: 96 total cpu time spent up to now is 96.0 secs Computing kpt #: 97 total cpu time spent up to now is 96.9 secs Computing kpt #: 98 total cpu time spent up to now is 97.8 secs Computing kpt #: 99 total cpu time spent up to now is 98.7 secs Computing kpt #: 100 total cpu time spent up to now is 99.6 secs Computing kpt #: 101 total cpu time spent up to now is 100.5 secs Computing kpt #: 102 total cpu time spent up to now is 101.4 secs Computing kpt #: 103 total cpu time spent up to now is 102.3 secs Computing kpt #: 104 total cpu time spent up to now is 103.2 secs Computing kpt #: 105 total cpu time spent up to now is 104.1 secs Computing kpt #: 106 total cpu time spent up to now is 105.0 secs Computing kpt #: 107 total cpu time spent up to now is 106.0 secs Computing kpt #: 108 total cpu time spent up to now is 106.9 secs Computing kpt #: 109 total cpu time spent up to now is 107.8 secs Computing kpt #: 110 total cpu time spent up to now is 108.8 secs Computing kpt #: 111 total cpu time spent up to now is 109.8 secs Computing kpt #: 112 total cpu time spent up to now is 110.9 secs Computing kpt #: 113 total cpu time spent up to now is 112.2 secs Computing kpt #: 114 total cpu time spent up to now is 113.7 secs Computing kpt #: 115 total cpu time spent up to now is 114.9 secs Computing kpt #: 116 total cpu time spent up to now is 116.1 secs Computing kpt #: 117 total cpu time spent up to now is 117.3 secs Computing kpt #: 118 total cpu time spent up to now is 118.5 secs Computing kpt #: 119 total cpu time spent up to now is 119.6 secs Computing kpt #: 120 total cpu time spent up to now is 120.8 secs Computing kpt #: 121 total cpu time spent up to now is 121.9 secs Computing kpt #: 122 total cpu time spent up to now is 123.0 secs Computing kpt #: 123 total cpu time spent up to now is 124.2 secs Computing kpt #: 124 total cpu time spent up to now is 125.6 secs Computing kpt #: 125 total cpu time spent up to now is 126.8 secs Computing kpt #: 126 total cpu time spent up to now is 127.9 secs Computing kpt #: 127 total cpu time spent up to now is 128.9 secs Computing kpt #: 128 total cpu time spent up to now is 130.0 secs Computing kpt #: 129 total cpu time spent up to now is 131.1 secs Computing kpt #: 130 total cpu time spent up to now is 132.1 secs Computing kpt #: 131 total cpu time spent up to now is 133.1 secs Computing kpt #: 132 total cpu time spent up to now is 134.2 secs Computing kpt #: 133 total cpu time spent up to now is 135.4 secs Computing kpt #: 134 total cpu time spent up to now is 136.7 secs Computing kpt #: 135 total cpu time spent up to now is 137.8 secs Computing kpt #: 136 total cpu time spent up to now is 139.0 secs Computing kpt #: 137 total cpu time spent up to now is 140.2 secs Computing kpt #: 138 total cpu time spent up to now is 141.3 secs Computing kpt #: 139 total cpu time spent up to now is 142.5 secs Computing kpt #: 140 total cpu time spent up to now is 143.5 secs Computing kpt #: 141 total cpu time spent up to now is 144.6 secs Computing kpt #: 142 total cpu time spent up to now is 145.6 secs Computing kpt #: 143 total cpu time spent up to now is 146.8 secs Computing kpt #: 144 total cpu time spent up to now is 147.9 secs Computing kpt #: 145 total cpu time spent up to now is 149.0 secs Computing kpt #: 146 total cpu time spent up to now is 150.2 secs Computing kpt #: 147 total cpu time spent up to now is 151.3 secs Computing kpt #: 148 total cpu time spent up to now is 152.5 secs Computing kpt #: 149 total cpu time spent up to now is 153.6 secs Computing kpt #: 150 total cpu time spent up to now is 154.8 secs Computing kpt #: 151 total cpu time spent up to now is 156.0 secs Computing kpt #: 152 total cpu time spent up to now is 157.1 secs Computing kpt #: 153 total cpu time spent up to now is 158.2 secs Computing kpt #: 154 total cpu time spent up to now is 159.3 secs Computing kpt #: 155 total cpu time spent up to now is 160.4 secs Computing kpt #: 156 total cpu time spent up to now is 161.5 secs Computing kpt #: 157 total cpu time spent up to now is 162.5 secs Computing kpt #: 158 total cpu time spent up to now is 163.6 secs Computing kpt #: 159 total cpu time spent up to now is 164.7 secs Computing kpt #: 160 total cpu time spent up to now is 165.7 secs Computing kpt #: 161 total cpu time spent up to now is 166.7 secs Computing kpt #: 162 total cpu time spent up to now is 167.6 secs Computing kpt #: 163 total cpu time spent up to now is 168.6 secs Computing kpt #: 164 total cpu time spent up to now is 169.6 secs Computing kpt #: 165 total cpu time spent up to now is 170.5 secs Computing kpt #: 166 total cpu time spent up to now is 171.5 secs Computing kpt #: 167 total cpu time spent up to now is 174.2 secs Computing kpt #: 168 total cpu time spent up to now is 176.7 secs Computing kpt #: 169 total cpu time spent up to now is 177.7 secs Computing kpt #: 170 total cpu time spent up to now is 178.7 secs Computing kpt #: 171 total cpu time spent up to now is 179.7 secs Computing kpt #: 172 total cpu time spent up to now is 180.6 secs Computing kpt #: 173 total cpu time spent up to now is 181.6 secs Computing kpt #: 174 total cpu time spent up to now is 182.5 secs Computing kpt #: 175 total cpu time spent up to now is 183.4 secs Computing kpt #: 176 total cpu time spent up to now is 184.4 secs Computing kpt #: 177 total cpu time spent up to now is 185.3 secs Computing kpt #: 178 total cpu time spent up to now is 186.2 secs Computing kpt #: 179 total cpu time spent up to now is 187.2 secs Computing kpt #: 180 total cpu time spent up to now is 188.3 secs Computing kpt #: 181 total cpu time spent up to now is 189.5 secs Computing kpt #: 182 total cpu time spent up to now is 190.6 secs Computing kpt #: 183 total cpu time spent up to now is 191.6 secs Computing kpt #: 184 total cpu time spent up to now is 192.6 secs Computing kpt #: 185 total cpu time spent up to now is 193.6 secs Computing kpt #: 186 total cpu time spent up to now is 194.6 secs Computing kpt #: 187 total cpu time spent up to now is 195.6 secs Computing kpt #: 188 total cpu time spent up to now is 196.7 secs Computing kpt #: 189 total cpu time spent up to now is 197.7 secs Computing kpt #: 190 total cpu time spent up to now is 198.8 secs Computing kpt #: 191 total cpu time spent up to now is 199.9 secs Computing kpt #: 192 total cpu time spent up to now is 201.0 secs Computing kpt #: 193 total cpu time spent up to now is 202.1 secs Computing kpt #: 194 total cpu time spent up to now is 203.2 secs Computing kpt #: 195 total cpu time spent up to now is 204.3 secs Computing kpt #: 196 total cpu time spent up to now is 205.4 secs Computing kpt #: 197 total cpu time spent up to now is 206.5 secs Computing kpt #: 198 total cpu time spent up to now is 207.5 secs Computing kpt #: 199 total cpu time spent up to now is 208.6 secs Computing kpt #: 200 total cpu time spent up to now is 209.7 secs Computing kpt #: 201 total cpu time spent up to now is 210.7 secs Computing kpt #: 202 total cpu time spent up to now is 211.8 secs Computing kpt #: 203 total cpu time spent up to now is 212.8 secs Computing kpt #: 204 total cpu time spent up to now is 213.9 secs Computing kpt #: 205 total cpu time spent up to now is 214.9 secs Computing kpt #: 206 total cpu time spent up to now is 216.0 secs Computing kpt #: 207 total cpu time spent up to now is 217.1 secs Computing kpt #: 208 total cpu time spent up to now is 218.2 secs Computing kpt #: 209 total cpu time spent up to now is 219.3 secs Computing kpt #: 210 total cpu time spent up to now is 220.4 secs Computing kpt #: 211 total cpu time spent up to now is 221.4 secs Computing kpt #: 212 total cpu time spent up to now is 222.4 secs Computing kpt #: 213 total cpu time spent up to now is 223.4 secs Computing kpt #: 214 total cpu time spent up to now is 224.4 secs Computing kpt #: 215 total cpu time spent up to now is 225.4 secs Computing kpt #: 216 total cpu time spent up to now is 226.4 secs Computing kpt #: 217 total cpu time spent up to now is 227.3 secs Computing kpt #: 218 total cpu time spent up to now is 228.3 secs Computing kpt #: 219 total cpu time spent up to now is 229.2 secs Computing kpt #: 220 total cpu time spent up to now is 230.1 secs Computing kpt #: 221 total cpu time spent up to now is 231.0 secs Computing kpt #: 222 total cpu time spent up to now is 231.9 secs Computing kpt #: 223 total cpu time spent up to now is 232.9 secs Computing kpt #: 224 total cpu time spent up to now is 233.8 secs Computing kpt #: 225 total cpu time spent up to now is 234.7 secs Computing kpt #: 226 total cpu time spent up to now is 235.6 secs Computing kpt #: 227 total cpu time spent up to now is 236.5 secs Computing kpt #: 228 total cpu time spent up to now is 237.4 secs Computing kpt #: 229 total cpu time spent up to now is 238.3 secs Computing kpt #: 230 total cpu time spent up to now is 239.3 secs Computing kpt #: 231 total cpu time spent up to now is 240.2 secs Computing kpt #: 232 total cpu time spent up to now is 241.1 secs Computing kpt #: 233 total cpu time spent up to now is 242.0 secs Computing kpt #: 234 total cpu time spent up to now is 242.9 secs Computing kpt #: 235 total cpu time spent up to now is 243.8 secs Computing kpt #: 236 total cpu time spent up to now is 244.8 secs Computing kpt #: 237 total cpu time spent up to now is 245.7 secs Computing kpt #: 238 total cpu time spent up to now is 246.6 secs Computing kpt #: 239 total cpu time spent up to now is 247.6 secs Computing kpt #: 240 total cpu time spent up to now is 248.5 secs Computing kpt #: 241 total cpu time spent up to now is 249.4 secs Computing kpt #: 242 total cpu time spent up to now is 250.3 secs Computing kpt #: 243 total cpu time spent up to now is 251.3 secs Computing kpt #: 244 total cpu time spent up to now is 252.2 secs Computing kpt #: 245 total cpu time spent up to now is 253.2 secs Computing kpt #: 246 total cpu time spent up to now is 254.1 secs Computing kpt #: 247 total cpu time spent up to now is 255.0 secs Computing kpt #: 248 total cpu time spent up to now is 255.9 secs Computing kpt #: 249 total cpu time spent up to now is 256.8 secs Computing kpt #: 250 total cpu time spent up to now is 257.7 secs Computing kpt #: 251 total cpu time spent up to now is 258.6 secs Computing kpt #: 252 total cpu time spent up to now is 259.5 secs Computing kpt #: 253 total cpu time spent up to now is 260.5 secs Computing kpt #: 254 total cpu time spent up to now is 261.4 secs Computing kpt #: 255 total cpu time spent up to now is 262.4 secs Computing kpt #: 256 total cpu time spent up to now is 263.5 secs Computing kpt #: 257 total cpu time spent up to now is 264.5 secs Computing kpt #: 258 total cpu time spent up to now is 265.6 secs Computing kpt #: 259 total cpu time spent up to now is 266.6 secs Computing kpt #: 260 total cpu time spent up to now is 267.7 secs Computing kpt #: 261 total cpu time spent up to now is 268.7 secs Computing kpt #: 262 total cpu time spent up to now is 269.7 secs Computing kpt #: 263 total cpu time spent up to now is 270.6 secs Computing kpt #: 264 total cpu time spent up to now is 271.6 secs Computing kpt #: 265 total cpu time spent up to now is 272.5 secs Computing kpt #: 266 total cpu time spent up to now is 273.5 secs Computing kpt #: 267 total cpu time spent up to now is 274.5 secs Computing kpt #: 268 total cpu time spent up to now is 275.4 secs Computing kpt #: 269 total cpu time spent up to now is 276.4 secs Computing kpt #: 270 total cpu time spent up to now is 277.3 secs Computing kpt #: 271 total cpu time spent up to now is 278.3 secs Computing kpt #: 272 total cpu time spent up to now is 279.2 secs Computing kpt #: 273 total cpu time spent up to now is 280.2 secs Computing kpt #: 274 total cpu time spent up to now is 281.1 secs Computing kpt #: 275 total cpu time spent up to now is 282.1 secs Computing kpt #: 276 total cpu time spent up to now is 283.0 secs Computing kpt #: 277 total cpu time spent up to now is 283.9 secs Computing kpt #: 278 total cpu time spent up to now is 284.9 secs Computing kpt #: 279 total cpu time spent up to now is 285.8 secs Computing kpt #: 280 total cpu time spent up to now is 286.7 secs Computing kpt #: 281 total cpu time spent up to now is 287.6 secs Computing kpt #: 282 total cpu time spent up to now is 288.5 secs Computing kpt #: 283 total cpu time spent up to now is 289.4 secs Computing kpt #: 284 total cpu time spent up to now is 290.4 secs Computing kpt #: 285 total cpu time spent up to now is 291.3 secs Computing kpt #: 286 total cpu time spent up to now is 292.3 secs Computing kpt #: 287 total cpu time spent up to now is 293.3 secs Computing kpt #: 288 total cpu time spent up to now is 294.3 secs Computing kpt #: 289 total cpu time spent up to now is 295.3 secs Computing kpt #: 290 total cpu time spent up to now is 296.3 secs Computing kpt #: 291 total cpu time spent up to now is 297.4 secs Computing kpt #: 292 total cpu time spent up to now is 298.4 secs Computing kpt #: 293 total cpu time spent up to now is 299.5 secs Computing kpt #: 294 total cpu time spent up to now is 300.5 secs Computing kpt #: 295 total cpu time spent up to now is 301.6 secs Computing kpt #: 296 total cpu time spent up to now is 302.7 secs Computing kpt #: 297 total cpu time spent up to now is 303.7 secs Computing kpt #: 298 total cpu time spent up to now is 304.8 secs Computing kpt #: 299 total cpu time spent up to now is 305.9 secs Computing kpt #: 300 total cpu time spent up to now is 307.0 secs Computing kpt #: 301 total cpu time spent up to now is 308.1 secs Computing kpt #: 302 total cpu time spent up to now is 309.2 secs Computing kpt #: 303 total cpu time spent up to now is 310.3 secs Computing kpt #: 304 total cpu time spent up to now is 311.4 secs Computing kpt #: 305 total cpu time spent up to now is 312.5 secs Computing kpt #: 306 total cpu time spent up to now is 313.6 secs Computing kpt #: 307 total cpu time spent up to now is 314.8 secs Computing kpt #: 308 total cpu time spent up to now is 315.9 secs Computing kpt #: 309 total cpu time spent up to now is 316.9 secs Computing kpt #: 310 total cpu time spent up to now is 318.0 secs Computing kpt #: 311 total cpu time spent up to now is 319.0 secs Computing kpt #: 312 total cpu time spent up to now is 320.0 secs Computing kpt #: 313 total cpu time spent up to now is 320.9 secs Computing kpt #: 314 total cpu time spent up to now is 321.9 secs Computing kpt #: 315 total cpu time spent up to now is 322.9 secs Computing kpt #: 316 total cpu time spent up to now is 323.9 secs Computing kpt #: 317 total cpu time spent up to now is 324.9 secs Computing kpt #: 318 total cpu time spent up to now is 325.9 secs Computing kpt #: 319 total cpu time spent up to now is 327.0 secs Computing kpt #: 320 total cpu time spent up to now is 328.0 secs Computing kpt #: 321 total cpu time spent up to now is 329.2 secs Computing kpt #: 322 total cpu time spent up to now is 330.3 secs Computing kpt #: 323 total cpu time spent up to now is 331.4 secs Computing kpt #: 324 total cpu time spent up to now is 332.5 secs Computing kpt #: 325 total cpu time spent up to now is 333.7 secs Computing kpt #: 326 total cpu time spent up to now is 334.7 secs Computing kpt #: 327 total cpu time spent up to now is 335.8 secs Computing kpt #: 328 total cpu time spent up to now is 336.8 secs Computing kpt #: 329 total cpu time spent up to now is 337.8 secs Computing kpt #: 330 total cpu time spent up to now is 338.8 secs Computing kpt #: 331 total cpu time spent up to now is 339.9 secs Computing kpt #: 332 total cpu time spent up to now is 340.9 secs Computing kpt #: 333 total cpu time spent up to now is 342.0 secs Computing kpt #: 334 total cpu time spent up to now is 343.1 secs Computing kpt #: 335 total cpu time spent up to now is 344.1 secs Computing kpt #: 336 total cpu time spent up to now is 345.2 secs Computing kpt #: 337 total cpu time spent up to now is 346.2 secs Computing kpt #: 338 total cpu time spent up to now is 347.2 secs Computing kpt #: 339 total cpu time spent up to now is 348.3 secs Computing kpt #: 340 total cpu time spent up to now is 349.2 secs Computing kpt #: 341 total cpu time spent up to now is 350.2 secs Computing kpt #: 342 total cpu time spent up to now is 351.2 secs Computing kpt #: 343 total cpu time spent up to now is 352.2 secs Computing kpt #: 344 total cpu time spent up to now is 353.3 secs Computing kpt #: 345 total cpu time spent up to now is 354.3 secs Computing kpt #: 346 total cpu time spent up to now is 355.4 secs Computing kpt #: 347 total cpu time spent up to now is 356.5 secs Computing kpt #: 348 total cpu time spent up to now is 357.6 secs Computing kpt #: 349 total cpu time spent up to now is 358.7 secs Computing kpt #: 350 total cpu time spent up to now is 359.7 secs Computing kpt #: 351 total cpu time spent up to now is 360.9 secs Computing kpt #: 352 total cpu time spent up to now is 362.1 secs Computing kpt #: 353 total cpu time spent up to now is 363.3 secs Computing kpt #: 354 total cpu time spent up to now is 364.4 secs Computing kpt #: 355 total cpu time spent up to now is 365.6 secs Computing kpt #: 356 total cpu time spent up to now is 366.7 secs Computing kpt #: 357 total cpu time spent up to now is 367.9 secs Computing kpt #: 358 total cpu time spent up to now is 369.0 secs Computing kpt #: 359 total cpu time spent up to now is 370.1 secs Computing kpt #: 360 total cpu time spent up to now is 371.1 secs Computing kpt #: 361 total cpu time spent up to now is 372.2 secs Computing kpt #: 362 total cpu time spent up to now is 373.3 secs Computing kpt #: 363 total cpu time spent up to now is 374.3 secs Computing kpt #: 364 total cpu time spent up to now is 375.3 secs Computing kpt #: 365 total cpu time spent up to now is 376.4 secs Computing kpt #: 366 total cpu time spent up to now is 377.4 secs Computing kpt #: 367 total cpu time spent up to now is 378.3 secs Computing kpt #: 368 total cpu time spent up to now is 379.3 secs Computing kpt #: 369 total cpu time spent up to now is 380.2 secs Computing kpt #: 370 total cpu time spent up to now is 381.1 secs Computing kpt #: 371 total cpu time spent up to now is 382.1 secs Computing kpt #: 372 total cpu time spent up to now is 383.0 secs Computing kpt #: 373 total cpu time spent up to now is 383.9 secs Computing kpt #: 374 total cpu time spent up to now is 384.9 secs Computing kpt #: 375 total cpu time spent up to now is 385.8 secs Computing kpt #: 376 total cpu time spent up to now is 386.7 secs Computing kpt #: 377 total cpu time spent up to now is 387.7 secs Computing kpt #: 378 total cpu time spent up to now is 388.6 secs Computing kpt #: 379 total cpu time spent up to now is 389.5 secs Computing kpt #: 380 total cpu time spent up to now is 390.5 secs Computing kpt #: 381 total cpu time spent up to now is 391.4 secs Computing kpt #: 382 total cpu time spent up to now is 392.4 secs Computing kpt #: 383 total cpu time spent up to now is 393.5 secs Computing kpt #: 384 total cpu time spent up to now is 394.5 secs Computing kpt #: 385 total cpu time spent up to now is 395.5 secs Computing kpt #: 386 total cpu time spent up to now is 396.5 secs Computing kpt #: 387 total cpu time spent up to now is 397.5 secs Computing kpt #: 388 total cpu time spent up to now is 398.6 secs Computing kpt #: 389 total cpu time spent up to now is 399.6 secs Computing kpt #: 390 total cpu time spent up to now is 400.6 secs Computing kpt #: 391 total cpu time spent up to now is 401.6 secs Computing kpt #: 392 total cpu time spent up to now is 402.7 secs Computing kpt #: 393 total cpu time spent up to now is 403.7 secs Computing kpt #: 394 total cpu time spent up to now is 404.7 secs Computing kpt #: 395 total cpu time spent up to now is 405.5 secs Computing kpt #: 396 total cpu time spent up to now is 406.2 secs Computing kpt #: 397 total cpu time spent up to now is 407.0 secs Computing kpt #: 398 total cpu time spent up to now is 407.8 secs Computing kpt #: 399 total cpu time spent up to now is 408.5 secs Computing kpt #: 400 total cpu time spent up to now is 409.3 secs Computing kpt #: 401 total cpu time spent up to now is 410.1 secs Computing kpt #: 402 total cpu time spent up to now is 410.9 secs Computing kpt #: 403 total cpu time spent up to now is 411.8 secs Computing kpt #: 404 total cpu time spent up to now is 412.7 secs Computing kpt #: 405 total cpu time spent up to now is 413.6 secs Computing kpt #: 406 total cpu time spent up to now is 414.5 secs Computing kpt #: 407 total cpu time spent up to now is 415.4 secs Computing kpt #: 408 total cpu time spent up to now is 416.3 secs Computing kpt #: 409 total cpu time spent up to now is 417.2 secs Computing kpt #: 410 total cpu time spent up to now is 418.1 secs Computing kpt #: 411 total cpu time spent up to now is 419.0 secs Computing kpt #: 412 total cpu time spent up to now is 419.9 secs Computing kpt #: 413 total cpu time spent up to now is 420.8 secs Computing kpt #: 414 total cpu time spent up to now is 421.8 secs Computing kpt #: 415 total cpu time spent up to now is 422.7 secs Computing kpt #: 416 total cpu time spent up to now is 423.6 secs Computing kpt #: 417 total cpu time spent up to now is 424.6 secs Computing kpt #: 418 total cpu time spent up to now is 425.6 secs Computing kpt #: 419 total cpu time spent up to now is 426.6 secs Computing kpt #: 420 total cpu time spent up to now is 427.6 secs ethr = 2.78E-11, avg # of iterations = 32.9 total cpu time spent up to now is 427.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4293 PWs) bands (ev): -3.3114 -3.3114 -0.7564 -0.7564 -0.2090 -0.2090 0.3589 0.3589 3.5920 3.5920 4.5515 4.5515 5.7890 5.7890 6.2451 6.2451 6.4395 6.4395 7.1291 7.1291 7.9927 7.9927 8.2709 8.2709 8.3677 8.3677 8.4182 8.4182 8.6948 8.6948 8.9492 8.9492 8.9940 8.9940 9.0869 9.0869 10.4434 10.4434 11.4229 11.4229 12.9587 12.9587 13.5831 13.5831 k = 0.0100-0.0000-0.0000 ( 4289 PWs) bands (ev): -3.3099 -3.3099 -0.7552 -0.7552 -0.2077 -0.2077 0.3601 0.3601 3.5936 3.5936 4.5528 4.5528 5.7896 5.7896 6.2459 6.2459 6.4408 6.4408 7.1296 7.1296 7.9918 7.9918 8.2708 8.2708 8.3674 8.3674 8.4181 8.4181 8.6947 8.6947 8.9483 8.9483 8.9934 8.9934 9.0867 9.0867 10.4430 10.4430 11.4093 11.4093 12.9570 12.9570 13.5772 13.5772 k = 0.0200-0.0000-0.0000 ( 4297 PWs) bands (ev): -3.3055 -3.3055 -0.7514 -0.7514 -0.2037 -0.2037 0.3639 0.3639 3.5984 3.5984 4.5565 4.5565 5.7916 5.7916 6.2483 6.2483 6.4447 6.4447 7.1311 7.1311 7.9888 7.9888 8.2707 8.2707 8.3663 8.3663 8.4177 8.4177 8.6945 8.6945 8.9457 8.9457 8.9916 8.9916 9.0861 9.0861 10.4417 10.4417 11.3693 11.3693 12.9514 12.9514 13.5593 13.5593 k = 0.0300-0.0000-0.0000 ( 4295 PWs) bands (ev): -3.2982 -3.2982 -0.7452 -0.7452 -0.1971 -0.1971 0.3701 0.3701 3.6065 3.6065 4.5626 4.5626 5.7949 5.7949 6.2523 6.2523 6.4510 6.4510 7.1334 7.1334 7.9839 7.9839 8.2704 8.2704 8.3645 8.3645 8.4171 8.4171 8.6940 8.6940 8.9413 8.9413 8.9887 8.9887 9.0851 9.0851 10.4394 10.4394 11.3051 11.3051 12.9414 12.9414 13.5285 13.5285 k = 0.0400-0.0000-0.0000 ( 4299 PWs) bands (ev): -3.2880 -3.2880 -0.7364 -0.7364 -0.1878 -0.1878 0.3788 0.3788 3.6178 3.6178 4.5713 4.5713 5.7995 5.7995 6.2579 6.2579 6.4599 6.4599 7.1368 7.1368 7.9766 7.9766 8.2699 8.2699 8.3620 8.3620 8.4162 8.4162 8.6933 8.6933 8.9351 8.9351 8.9846 8.9846 9.0837 9.0837 10.4357 10.4357 11.2200 11.2200 12.9252 12.9252 13.4841 13.4841 k = 0.0500-0.0000-0.0000 ( 4295 PWs) bands (ev): -3.2748 -3.2748 -0.7251 -0.7251 -0.1759 -0.1759 0.3900 0.3900 3.6322 3.6322 4.5824 4.5824 5.8053 5.8053 6.2650 6.2650 6.4713 6.4713 7.1410 7.1410 7.9668 7.9668 8.2693 8.2693 8.3587 8.3587 8.4151 8.4151 8.6924 8.6924 8.9273 8.9273 8.9794 8.9794 9.0820 9.0820 10.4301 10.4301 11.1184 11.1184 12.9004 12.9004 13.4262 13.4262 k = 0.0600-0.0000-0.0000 ( 4295 PWs) bands (ev): -3.2587 -3.2587 -0.7114 -0.7114 -0.1613 -0.1613 0.4036 0.4036 3.6499 3.6499 4.5959 4.5959 5.8124 5.8124 6.2737 6.2737 6.4851 6.4851 7.1462 7.1462 7.9538 7.9538 8.2684 8.2684 8.3545 8.3545 8.4137 8.4137 8.6912 8.6912 8.9177 8.9177 8.9730 8.9730 9.0797 9.0797 10.4212 10.4212 11.0052 11.0052 12.8636 12.8636 13.3567 13.3567 k = 0.0700-0.0000-0.0000 ( 4291 PWs) bands (ev): -3.2397 -3.2397 -0.6952 -0.6952 -0.1441 -0.1441 0.4197 0.4197 3.6707 3.6707 4.6118 4.6118 5.8206 5.8206 6.2838 6.2838 6.5013 6.5013 7.1522 7.1522 7.9373 7.9373 8.2671 8.2671 8.3493 8.3493 8.4119 8.4119 8.6899 8.6899 8.9064 8.9064 8.9655 8.9655 9.0770 9.0770 10.4068 10.4068 10.8868 10.8868 12.8099 12.8099 13.2791 13.2791 k = 0.0800-0.0000-0.0000 ( 4303 PWs) bands (ev): -3.2178 -3.2178 -0.6766 -0.6766 -0.1242 -0.1242 0.4383 0.4383 3.6948 3.6948 4.6301 4.6301 5.8300 5.8300 6.2954 6.2954 6.5199 6.5199 7.1591 7.1591 7.9163 7.9163 8.2653 8.2653 8.3429 8.3429 8.4098 8.4098 8.6883 8.6883 8.8935 8.8935 8.9568 8.9568 9.0736 9.0736 10.3819 10.3819 10.7719 10.7719 12.7349 12.7349 13.1976 13.1976 k = 0.0900-0.0000-0.0000 ( 4311 PWs) bands (ev): -3.1930 -3.1930 -0.6556 -0.6556 -0.1018 -0.1018 0.4593 0.4593 3.7220 3.7220 4.6507 4.6507 5.8403 5.8403 6.3084 6.3084 6.5407 6.5407 7.1668 7.1668 7.8903 7.8903 8.2630 8.2630 8.3353 8.3353 8.4071 8.4071 8.6863 8.6863 8.8791 8.8791 8.9470 8.9470 9.0696 9.0696 10.3375 10.3375 10.6730 10.6730 12.6360 12.6360 13.1144 13.1144 k = 0.1000-0.0000-0.0000 ( 4315 PWs) bands (ev): -3.1652 -3.1652 -0.6322 -0.6322 -0.0767 -0.0767 0.4827 0.4827 3.7523 3.7523 4.6737 4.6737 5.8516 5.8516 6.3227 6.3227 6.5637 6.5637 7.1752 7.1752 7.8580 7.8580 8.2600 8.2600 8.3264 8.3264 8.4040 8.4040 8.6842 8.6842 8.8633 8.8633 8.9360 8.9360 9.0648 9.0648 10.2647 10.2647 10.6023 10.6023 12.5147 12.5147 13.0275 13.0275 k = 0.1100-0.0000-0.0000 ( 4309 PWs) bands (ev): -3.1346 -3.1346 -0.6065 -0.6065 -0.0491 -0.0491 0.5085 0.5085 3.7858 3.7858 4.6989 4.6989 5.8638 5.8638 6.3383 6.3383 6.5889 6.5889 7.1844 7.1844 7.8185 7.8185 8.2561 8.2561 8.3158 8.3158 8.4003 8.4003 8.6818 8.6818 8.8462 8.8462 8.9240 8.9240 9.0592 9.0592 10.1665 10.1665 10.5602 10.5602 12.3752 12.3752 12.9325 12.9325 k = 0.1200-0.0000-0.0000 ( 4305 PWs) bands (ev): -3.1011 -3.1011 -0.5784 -0.5784 -0.0188 -0.0188 0.5367 0.5367 3.8224 3.8224 4.7264 4.7264 5.8767 5.8767 6.3551 6.3551 6.6160 6.6160 7.1943 7.1943 7.7703 7.7703 8.2509 8.2509 8.3033 8.3033 8.3959 8.3959 8.6790 8.6790 8.8280 8.8280 8.9108 8.9108 9.0526 9.0526 10.0558 10.0558 10.5366 10.5366 12.2225 12.2225 12.8257 12.8257 k = 0.1300-0.0000-0.0000 ( 4303 PWs) bands (ev): -3.0647 -3.0647 -0.5482 -0.5482 0.0140 0.0140 0.5673 0.5673 3.8620 3.8620 4.7560 4.7560 5.8902 5.8902 6.3729 6.3729 6.6449 6.6449 7.2047 7.2047 7.7122 7.7122 8.2442 8.2442 8.2887 8.2887 8.3906 8.3906 8.6760 8.6760 8.8090 8.8090 8.8965 8.8965 9.0449 9.0449 9.9442 9.9442 10.5226 10.5226 12.0610 12.0610 12.7058 12.7058 k = 0.1400-0.0000-0.0000 ( 4303 PWs) bands (ev): -3.0255 -3.0255 -0.5157 -0.5157 0.0494 0.0494 0.6002 0.6002 3.9048 3.9048 4.7876 4.7876 5.9042 5.9042 6.3918 6.3918 6.6754 6.6754 7.2158 7.2158 7.6431 7.6431 8.2352 8.2352 8.2719 8.2719 8.3845 8.3845 8.6726 8.6726 8.7894 8.7894 8.8812 8.8812 9.0361 9.0361 9.8385 9.8385 10.5139 10.5139 11.8943 11.8943 12.5744 12.5744 k = 0.1500-0.0000-0.0000 ( 4299 PWs) bands (ev): -2.9834 -2.9834 -0.4811 -0.4811 0.0873 0.0873 0.6354 0.6354 3.9505 3.9505 4.8213 4.8213 5.9185 5.9185 6.4116 6.4116 6.7074 6.7074 7.2273 7.2273 7.5623 7.5623 8.2228 8.2228 8.2530 8.2530 8.3776 8.3776 8.6690 8.6690 8.7695 8.7695 8.8649 8.8649 9.0262 9.0262 9.7427 9.7427 10.5080 10.5080 11.7253 11.7253 12.4346 12.4346 k = 0.1600-0.0000-0.0000 ( 4299 PWs) bands (ev): -2.9384 -2.9384 -0.4445 -0.4445 0.1277 0.1277 0.6729 0.6729 3.9993 3.9993 4.8568 4.8568 5.9329 5.9329 6.4320 6.4320 6.7405 6.7405 7.2392 7.2392 7.4696 7.4696 8.2052 8.2052 8.2328 8.2328 8.3697 8.3697 8.6650 8.6650 8.7497 8.7497 8.8476 8.8476 9.0155 9.0155 9.6588 9.6588 10.5039 10.5039 11.5563 11.5563 12.2899 12.2899 k = 0.1700-0.0000-0.0000 ( 4291 PWs) bands (ev): -2.8906 -2.8906 -0.4058 -0.4058 0.1707 0.1707 0.7127 0.7127 4.0510 4.0510 4.8940 4.8940 5.9472 5.9472 6.4530 6.4530 6.7744 6.7744 7.2513 7.2513 7.3655 7.3655 8.1802 8.1802 8.2122 8.2122 8.3611 8.3611 8.6607 8.6607 8.7305 8.7305 8.8294 8.8294 9.0042 9.0042 9.5877 9.5877 10.5008 10.5008 11.3892 11.3892 12.1434 12.1434 k = 0.1800-0.0000-0.0000 ( 4291 PWs) bands (ev): -2.8400 -2.8400 -0.3653 -0.3653 0.2160 0.2160 0.7547 0.7547 4.1056 4.1056 4.9328 4.9328 5.9612 5.9612 6.4741 6.4741 6.8088 6.8088 7.2459 7.2459 7.2686 7.2686 8.1477 8.1477 8.1901 8.1901 8.3518 8.3518 8.6561 8.6561 8.7121 8.7121 8.8105 8.8105 8.9928 8.9928 9.5290 9.5290 10.4985 10.4985 11.2260 11.2260 11.9979 11.9979 k = 0.1900-0.0000-0.0000 ( 4291 PWs) bands (ev): -2.7866 -2.7866 -0.3231 -0.3231 0.2638 0.2638 0.7988 0.7988 4.1632 4.1632 4.9728 4.9728 5.9745 5.9745 6.4949 6.4949 6.8431 6.8431 7.1259 7.1259 7.2781 7.2781 8.1081 8.1081 8.1645 8.1645 8.3419 8.3419 8.6511 8.6511 8.6948 8.6948 8.7908 8.7908 8.9818 8.9818 9.4816 9.4816 10.4967 10.4967 11.0682 11.0682 11.8556 11.8556 k = 0.2000-0.0000-0.0000 ( 4307 PWs) bands (ev): -2.7305 -2.7305 -0.2791 -0.2791 0.3140 0.3140 0.8450 0.8450 4.2235 4.2235 5.0138 5.0138 5.9867 5.9867 6.5142 6.5142 6.8764 6.8764 6.9972 6.9972 7.2909 7.2909 8.0618 8.0618 8.1341 8.1341 8.3316 8.3316 8.6458 8.6458 8.6790 8.6790 8.7703 8.7703 8.9719 8.9719 9.4440 9.4440 10.4949 10.4949 10.9175 10.9175 11.7182 11.7182 k = 0.2100-0.0000-0.0000 ( 4309 PWs) bands (ev): -2.6715 -2.6715 -0.2337 -0.2337 0.3666 0.3666 0.8933 0.8933 4.2867 4.2867 5.0552 5.0552 5.9973 5.9973 6.5293 6.5293 6.8661 6.8661 6.9100 6.9100 7.3040 7.3040 8.0089 8.0089 8.0982 8.0982 8.3210 8.3210 8.6401 8.6401 8.6647 8.6647 8.7494 8.7494 8.9634 8.9634 9.4146 9.4146 10.4928 10.4928 10.7756 10.7756 11.5873 11.5873 k = 0.2200-0.0000-0.0000 ( 4315 PWs) bands (ev): -2.6099 -2.6099 -0.1870 -0.1870 0.4214 0.4214 0.9435 0.9435 4.3525 4.3525 5.0965 5.0965 6.0055 6.0055 6.5303 6.5303 6.7493 6.7493 6.9385 6.9385 7.3170 7.3170 7.9492 7.9492 8.0568 8.0568 8.3100 8.3100 8.6339 8.6339 8.6516 8.6516 8.7282 8.7282 8.9567 8.9567 9.3919 9.3919 10.4887 10.4887 10.6453 10.6453 11.4641 11.4641 k = 0.2300-0.0000-0.0000 ( 4319 PWs) bands (ev): -2.5455 -2.5455 -0.1391 -0.1391 0.4785 0.4785 0.9957 0.9957 4.4210 4.4210 5.1366 5.1366 6.0100 6.0100 6.4868 6.4868 6.6776 6.6776 6.9637 6.9637 7.3297 7.3297 7.8831 7.8831 8.0102 8.0102 8.2982 8.2982 8.6275 8.6275 8.6391 8.6391 8.7073 8.7073 8.9520 8.9520 9.3744 9.3744 10.4693 10.4693 10.5407 10.5407 11.3495 11.3495 k = 0.2400-0.0000-0.0000 ( 4319 PWs) bands (ev): -2.4785 -2.4785 -0.0902 -0.0902 0.5378 0.5378 1.0496 1.0496 4.4920 4.4920 5.1738 5.1738 6.0083 6.0083 6.3903 6.3903 6.6653 6.6653 6.9830 6.9830 7.3415 7.3415 7.8112 7.8112 7.9598 7.9598 8.2853 8.2853 8.6209 8.6209 8.6259 8.6259 8.6878 8.6878 8.9493 8.9493 9.3613 9.3613 10.3891 10.3891 10.5082 10.5082 11.2443 11.2443 k = 0.2500-0.0000-0.0000 ( 4321 PWs) bands (ev): -2.4088 -2.4088 -0.0407 -0.0407 0.5993 0.5993 1.1053 1.1053 4.5655 4.5655 5.2056 5.2056 5.9953 5.9953 6.2856 6.2856 6.6760 6.6760 6.9940 6.9940 7.3516 7.3516 7.7343 7.7343 7.9075 7.9075 8.2708 8.2708 8.6104 8.6104 8.6148 8.6148 8.6708 8.6708 8.9484 8.9484 9.3517 9.3517 10.2928 10.2928 10.5034 10.5034 11.1491 11.1491 k = 0.2600-0.0000-0.0000 ( 4315 PWs) bands (ev): -2.3365 -2.3365 0.0092 0.0092 0.6627 0.6627 1.1626 1.1626 4.6412 4.6412 5.2275 5.2275 5.9628 5.9628 6.2028 6.2028 6.6926 6.6926 6.9939 6.9939 7.3580 7.3580 7.6547 7.6547 7.8567 7.8567 8.2541 8.2541 8.5923 8.5923 8.6090 8.6090 8.6575 8.6575 8.9494 8.9494 9.3448 9.3448 10.2044 10.2044 10.5022 10.5022 11.0642 11.0642 k = 0.2700-0.0000-0.0000 ( 4307 PWs) bands (ev): -2.2617 -2.2617 0.0592 0.0592 0.7282 0.7282 1.2214 1.2214 4.7189 4.7189 5.2330 5.2330 5.9111 5.9111 6.1535 6.1535 6.7100 6.7100 6.9797 6.9797 7.3565 7.3565 7.5767 7.5767 7.8111 7.8111 8.2345 8.2345 8.5718 8.5718 8.6036 8.6036 8.6475 8.6475 8.9518 8.9518 9.3403 9.3403 10.1262 10.1262 10.5023 10.5023 10.9900 10.9900 k = 0.2800-0.0000-0.0000 ( 4299 PWs) bands (ev): -2.1844 -2.1844 0.1090 0.1090 0.7955 0.7955 1.2815 1.2815 4.7980 4.7980 5.2140 5.2140 5.8602 5.8602 6.1283 6.1283 6.7255 6.7255 6.9489 6.9489 7.3372 7.3372 7.5107 7.5107 7.7747 7.7747 8.2113 8.2113 8.5505 8.5505 8.5987 8.5987 8.6400 8.6400 8.9555 8.9555 9.3376 9.3376 10.0583 10.0583 10.5031 10.5031 10.9264 10.9264 k = 0.2900-0.0000-0.0000 ( 4301 PWs) bands (ev): -2.1046 -2.1046 0.1579 0.1579 0.8646 0.8646 1.3427 1.3427 4.8768 4.8768 5.1665 5.1665 5.8303 5.8303 6.1137 6.1137 6.7353 6.7353 6.9014 6.9014 7.2885 7.2885 7.4699 7.4699 7.7497 7.7497 8.1839 8.1839 8.5298 8.5298 8.5941 8.5941 8.6343 8.6343 8.9601 8.9601 9.3366 9.3366 9.9999 9.9999 10.5043 10.5043 10.8733 10.8733 k = 0.3000-0.0000-0.0000 ( 4303 PWs) bands (ev): -2.0224 -2.0224 0.2057 0.2057 0.9354 0.9354 1.4050 1.4050 4.9464 4.9464 5.1021 5.1021 5.8261 5.8261 6.1030 6.1030 6.7300 6.7300 6.8438 6.8438 7.2172 7.2172 7.4510 7.4510 7.7360 7.7360 8.1522 8.1522 8.5108 8.5108 8.5896 8.5896 8.6305 8.6305 8.9655 8.9655 9.3371 9.3371 9.9503 9.9503 10.5061 10.5061 10.8305 10.8305 k = 0.3100-0.0000-0.0000 ( 4303 PWs) bands (ev): -1.9378 -1.9378 0.2516 0.2516 1.0076 1.0076 1.4680 1.4680 4.9435 4.9435 5.0929 5.0929 5.8414 5.8414 6.0938 6.0938 6.6864 6.6864 6.7964 6.7964 7.1422 7.1422 7.4414 7.4414 7.7312 7.7312 8.1162 8.1162 8.4943 8.4943 8.5851 8.5851 8.6286 8.6286 8.9715 8.9715 9.3389 9.3389 9.9086 9.9086 10.5084 10.5084 10.7972 10.7972 k = 0.3200-0.0000-0.0000 ( 4303 PWs) bands (ev): -1.8510 -1.8510 0.2952 0.2952 1.0811 1.0811 1.5316 1.5316 4.8530 4.8530 5.1632 5.1632 5.8669 5.8669 6.0866 6.0866 6.5995 6.5995 6.7588 6.7588 7.0798 7.0798 7.4349 7.4349 7.7314 7.7314 8.0767 8.0767 8.4803 8.4803 8.5803 8.5803 8.6290 8.6290 8.9778 8.9778 9.3419 9.3419 9.8736 9.8736 10.5112 10.5112 10.7625 10.7625 k = 0.3300-0.0000-0.0000 ( 4303 PWs) bands (ev): -1.7621 -1.7621 0.3356 0.3356 1.1558 1.1558 1.5954 1.5954 4.7461 4.7461 5.2484 5.2484 5.8930 5.8930 6.0847 6.0847 6.4910 6.4910 6.7049 6.7049 7.0414 7.0414 7.4291 7.4291 7.7328 7.7328 8.0348 8.0348 8.4689 8.4689 8.5752 8.5752 8.6320 8.6320 8.9841 8.9841 9.3461 9.3461 9.8445 9.8445 10.5146 10.5146 10.7202 10.7202 k = 0.3400-0.0000-0.0000 ( 4301 PWs) bands (ev): -1.6710 -1.6710 0.3721 0.3721 1.2315 1.2315 1.6591 1.6591 4.6380 4.6380 5.3374 5.3374 5.9092 5.9092 6.0938 6.0938 6.3725 6.3725 6.6291 6.6291 7.0270 7.0270 7.4230 7.4230 7.7322 7.7322 7.9917 7.9917 8.4598 8.4598 8.5696 8.5696 8.6380 8.6380 8.9904 8.9904 9.3515 9.3515 9.8202 9.8202 10.5186 10.5186 10.6881 10.6881 k = 0.3500-0.0000-0.0000 ( 4303 PWs) bands (ev): -1.5780 -1.5780 0.4038 0.4038 1.3078 1.3078 1.7224 1.7224 4.5339 4.5339 5.4276 5.4276 5.9085 5.9085 6.1129 6.1129 6.2541 6.2541 6.5394 6.5394 7.0286 7.0286 7.4158 7.4158 7.7267 7.7267 7.9489 7.9489 8.4526 8.4526 8.5637 8.5637 8.6473 8.6473 8.9964 8.9964 9.3578 9.3578 9.7999 9.7999 10.5232 10.5232 10.6669 10.6669 k = 0.3600-0.0000-0.0000 ( 4303 PWs) bands (ev): -1.4832 -1.4832 0.4299 0.4299 1.3845 1.3845 1.7849 1.7849 4.4367 4.4367 5.5172 5.5172 5.8922 5.8922 6.0820 6.0820 6.1953 6.1953 6.4449 6.4449 7.0388 7.0388 7.4071 7.4071 7.7145 7.7145 7.9076 7.9076 8.4471 8.4471 8.5574 8.5574 8.6601 8.6601 9.0020 9.0020 9.3653 9.3653 9.7827 9.7827 10.5283 10.5283 10.6561 10.6561 k = 0.3700-0.0000-0.0000 ( 4299 PWs) bands (ev): -1.3866 -1.3866 0.4494 0.4494 1.4613 1.4613 1.8461 1.8461 4.3485 4.3485 5.6030 5.6030 5.8654 5.8654 5.9661 5.9661 6.2238 6.2238 6.3568 6.3568 7.0537 7.0537 7.3966 7.3966 7.6950 7.6950 7.8681 7.8681 8.4431 8.4431 8.5509 8.5509 8.6761 8.6761 9.0070 9.0070 9.3739 9.3739 9.7679 9.7679 10.5341 10.5341 10.6551 10.6551 k = 0.3800-0.0000-0.0000 ( 4289 PWs) bands (ev): -1.2885 -1.2885 0.4614 0.4614 1.5379 1.5379 1.9054 1.9054 4.2709 4.2709 5.6714 5.6714 5.8299 5.8299 5.8522 5.8522 6.2196 6.2196 6.3234 6.3234 7.0712 7.0712 7.3838 7.3838 7.6686 7.6686 7.8300 7.8300 8.4402 8.4402 8.5441 8.5441 8.6953 8.6953 9.0112 9.0112 9.3835 9.3835 9.7548 9.7548 10.5406 10.5406 10.6631 10.6631 k = 0.3900-0.0000-0.0000 ( 4295 PWs) bands (ev): -1.1890 -1.1890 0.4652 0.4652 1.6137 1.6137 1.9623 1.9623 4.2054 4.2054 5.6481 5.6481 5.7826 5.7826 5.8236 5.8236 6.1573 6.1573 6.3671 6.3671 7.0900 7.0900 7.3685 7.3685 7.6372 7.6372 7.7917 7.7917 8.4382 8.4382 8.5371 8.5371 8.7171 8.7171 9.0145 9.0145 9.3941 9.3941 9.7427 9.7427 10.5477 10.5477 10.6794 10.6794 k = 0.4000-0.0000-0.0000 ( 4287 PWs) bands (ev): -1.0884 -1.0884 0.4599 0.4599 1.6883 1.6883 2.0162 2.0162 4.1530 4.1530 5.5322 5.5322 5.7447 5.7447 5.8441 5.8441 6.1177 6.1177 6.4258 6.4258 7.1096 7.1096 7.3507 7.3507 7.6027 7.6027 7.7516 7.7516 8.4372 8.4372 8.5299 8.5299 8.7409 8.7409 9.0169 9.0169 9.4059 9.4059 9.7311 9.7311 10.5555 10.5555 10.7035 10.7035 k = 0.4100-0.0000-0.0000 ( 4295 PWs) bands (ev): -0.9868 -0.9868 0.4450 0.4450 1.7613 1.7613 2.0663 2.0663 4.1146 4.1146 5.4029 5.4029 5.7015 5.7015 5.8259 5.8259 6.1378 6.1378 6.4878 6.4878 7.1295 7.1295 7.3300 7.3300 7.5665 7.5665 7.7086 7.7086 8.4369 8.4369 8.5227 8.5227 8.7659 8.7659 9.0181 9.0181 9.4188 9.4188 9.7193 9.7193 10.5641 10.5641 10.7344 10.7344 k = 0.4200-0.0000-0.0000 ( 4289 PWs) bands (ev): -0.8846 -0.8846 0.4203 0.4203 1.8319 1.8319 2.1118 2.1118 4.0905 4.0905 5.2729 5.2729 5.6571 5.6571 5.7713 5.7713 6.2033 6.2033 6.5509 6.5509 7.1494 7.1494 7.3067 7.3067 7.5296 7.5296 7.6624 7.6624 8.4374 8.4374 8.5155 8.5155 8.7917 8.7917 9.0180 9.0180 9.4325 9.4325 9.7071 9.7071 10.5736 10.5736 10.7714 10.7714 k = 0.4300-0.0000-0.0000 ( 4285 PWs) bands (ev): -0.7821 -0.7821 0.3857 0.3857 1.8994 1.8994 2.1519 2.1519 4.0811 4.0811 5.1449 5.1449 5.6131 5.6131 5.7064 5.7064 6.2866 6.2866 6.6140 6.6140 7.1686 7.1686 7.2813 7.2813 7.4918 7.4918 7.6134 7.6134 8.4386 8.4386 8.5083 8.5083 8.8175 8.8175 9.0168 9.0168 9.4473 9.4473 9.6940 9.6940 10.5842 10.5842 10.8134 10.8134 k = 0.4400-0.0000-0.0000 ( 4291 PWs) bands (ev): -0.6795 -0.6795 0.3415 0.3415 1.9633 1.9633 2.1859 2.1859 4.0862 4.0862 5.0203 5.0203 5.5712 5.5712 5.6427 5.6427 6.3759 6.3759 6.6762 6.6762 7.1847 7.1847 7.2560 7.2560 7.4524 7.4524 7.5631 7.5631 8.4404 8.4404 8.5012 8.5012 8.8427 8.8427 9.0141 9.0141 9.4630 9.4630 9.6798 9.6798 10.5960 10.5960 10.8582 10.8582 k = 0.4500-0.0000-0.0000 ( 4285 PWs) bands (ev): -0.5773 -0.5773 0.2880 0.2880 2.0226 2.0226 2.2129 2.2129 4.1055 4.1055 4.8998 4.8998 5.5327 5.5327 5.5850 5.5850 6.4666 6.4666 6.7368 6.7368 7.1873 7.1873 7.2418 7.2418 7.4095 7.4095 7.5141 7.5141 8.4429 8.4429 8.4942 8.4942 8.8670 8.8670 9.0100 9.0100 9.4796 9.4796 9.6644 9.6644 10.6093 10.6093 10.8906 10.8906 k = 0.4600-0.0000-0.0000 ( 4285 PWs) bands (ev): -0.4760 -0.4760 0.2259 0.2259 2.0766 2.0766 2.2321 2.2321 4.1383 4.1383 4.7843 4.7843 5.4992 5.4992 5.5356 5.5356 6.5562 6.5562 6.7942 6.7942 7.1654 7.1654 7.2506 7.2506 7.3610 7.3610 7.4693 7.4693 8.4459 8.4459 8.4874 8.4874 8.8898 8.8898 9.0042 9.0042 9.4971 9.4971 9.6478 9.6478 10.6244 10.6244 10.8581 10.8581 k = 0.4700-0.0000-0.0000 ( 4275 PWs) bands (ev): -0.3761 -0.3761 0.1561 0.1561 2.1243 2.1243 2.2431 2.2431 4.1839 4.1839 4.6747 4.6747 5.4718 5.4718 5.4958 5.4958 6.6426 6.6426 6.8451 6.8451 7.1352 7.1352 7.2694 7.2694 7.3067 7.3067 7.4304 7.4304 8.4495 8.4495 8.4809 8.4809 8.9110 8.9110 8.9966 8.9966 9.5153 9.5153 9.6302 9.6302 10.6415 10.6415 10.8141 10.8141 k = 0.4800-0.0000-0.0000 ( 4275 PWs) bands (ev): -0.2782 -0.2782 0.0794 0.0794 2.1650 2.1650 2.2453 2.2453 4.2413 4.2413 4.5716 4.5716 5.4519 5.4519 5.4662 5.4662 6.7236 6.7236 6.8811 6.8811 7.1114 7.1114 7.2488 7.2488 7.2912 7.2912 7.3968 7.3968 8.4536 8.4536 8.4747 8.4747 8.9303 8.9303 8.9873 8.9873 9.5342 9.5342 9.6116 9.6116 10.6612 10.6612 10.7744 10.7744 k = 0.4900-0.0000-0.0000 ( 4267 PWs) bands (ev): -0.1829 -0.1829 -0.0033 -0.0033 2.1980 2.1980 2.2385 2.2385 4.3098 4.3098 4.4758 4.4758 5.4406 5.4406 5.4473 5.4473 6.7959 6.7959 6.8863 6.8863 7.1114 7.1114 7.1919 7.1919 7.3147 7.3147 7.3670 7.3670 8.4583 8.4583 8.4688 8.4688 8.9476 8.9476 8.9760 8.9760 9.5535 9.5535 9.5925 9.5925 10.6837 10.6837 10.7398 10.7398 k = 0.5000-0.0000-0.0000 ( 4278 PWs) bands (ev): -0.0910 -0.0910 -0.0910 -0.0910 2.2226 2.2226 2.2226 2.2226 4.3882 4.3882 4.3882 4.3882 5.4388 5.4388 5.4388 5.4388 6.8538 6.8538 6.8538 6.8538 7.1423 7.1423 7.1423 7.1423 7.3398 7.3398 7.3398 7.3398 8.4633 8.4633 8.4633 8.4633 8.9628 8.9628 8.9628 8.9628 9.5730 9.5730 9.5730 9.5730 10.7097 10.7097 10.7097 10.7097 k = 0.5000-0.0000-0.0000 ( 4278 PWs) bands (ev): -0.0910 -0.0910 -0.0910 -0.0910 2.2226 2.2226 2.2226 2.2226 4.3882 4.3882 4.3882 4.3882 5.4388 5.4388 5.4388 5.4388 6.8538 6.8538 6.8538 6.8538 7.1423 7.1423 7.1423 7.1423 7.3398 7.3398 7.3398 7.3398 8.4633 8.4633 8.4633 8.4633 8.9628 8.9628 8.9628 8.9628 9.5730 9.5730 9.5730 9.5730 10.7097 10.7097 10.7097 10.7097 k = 0.5000 0.0101-0.0000 ( 4272 PWs) bands (ev): -0.0906 -0.0906 -0.0902 -0.0902 2.2215 2.2215 2.2221 2.2221 4.3868 4.3868 4.3913 4.3913 5.4365 5.4365 5.4369 5.4369 6.8517 6.8517 6.8518 6.8518 7.1309 7.1309 7.1356 7.1356 7.3502 7.3502 7.3551 7.3551 8.4574 8.4574 8.4648 8.4648 8.9600 8.9600 8.9662 8.9662 9.5705 9.5705 9.5756 9.5756 10.7046 10.7046 10.7127 10.7127 k = 0.5000 0.0203-0.0000 ( 4276 PWs) bands (ev): -0.0890 -0.0890 -0.0882 -0.0882 2.2187 2.2187 2.2198 2.2198 4.3869 4.3869 4.3959 4.3959 5.4301 5.4301 5.4309 5.4309 6.8456 6.8456 6.8459 6.8459 7.1072 7.1072 7.1158 7.1158 7.3812 7.3812 7.3901 7.3901 8.4474 8.4474 8.4619 8.4619 8.9579 8.9579 8.9699 8.9699 9.5682 9.5682 9.5781 9.5781 10.6974 10.6974 10.7132 10.7132 k = 0.5000 0.0304-0.0000 ( 4282 PWs) bands (ev): -0.0863 -0.0863 -0.0851 -0.0851 2.2141 2.2141 2.2158 2.2158 4.3886 4.3886 4.4021 4.4021 5.4196 5.4196 5.4209 5.4209 6.8357 6.8357 6.8369 6.8369 7.0786 7.0786 7.0910 7.0910 7.4235 7.4235 7.4362 7.4362 8.4337 8.4337 8.4549 8.4549 8.9564 8.9564 8.9737 8.9737 9.5663 9.5663 9.5805 9.5805 10.6886 10.6886 10.7114 10.7114 k = 0.5000 0.0406-0.0000 ( 4282 PWs) bands (ev): -0.0825 -0.0825 -0.0808 -0.0808 2.2079 2.2079 2.2101 2.2101 4.3918 4.3918 4.4098 4.4098 5.4054 5.4054 5.4073 5.4073 6.8228 6.8228 6.8255 6.8255 7.0491 7.0491 7.0656 7.0656 7.4713 7.4713 7.4881 7.4881 8.4171 8.4171 8.4441 8.4441 8.9554 8.9554 8.9773 8.9773 9.5651 9.5651 9.5829 9.5829 10.6784 10.6784 10.7074 10.7074 k = 0.5000 0.0507-0.0000 ( 4274 PWs) bands (ev): -0.0775 -0.0775 -0.0754 -0.0754 2.2002 2.2002 2.2029 2.2029 4.3966 4.3966 4.4189 4.4189 5.3878 5.3878 5.3903 5.3903 6.8080 6.8080 6.8126 6.8126 7.0204 7.0204 7.0412 7.0412 7.5211 7.5211 7.5428 7.5428 8.3986 8.3986 8.4303 8.4303 8.9547 8.9547 8.9804 8.9804 9.5647 9.5647 9.5853 9.5853 10.6673 10.6673 10.7016 10.7016 k = 0.5000 0.0609-0.0000 ( 4274 PWs) bands (ev): -0.0715 -0.0715 -0.0690 -0.0690 2.1908 2.1908 2.1940 2.1940 4.4028 4.4028 4.4295 4.4295 5.3672 5.3672 5.3705 5.3705 6.7923 6.7923 6.7988 6.7988 6.9930 6.9930 7.0180 7.0180 7.5701 7.5701 7.5979 7.5979 8.3791 8.3791 8.4143 8.4143 8.9540 8.9540 8.9825 8.9825 9.5654 9.5654 9.5878 9.5878 10.6555 10.6555 10.6941 10.6941 k = 0.5000 0.0710-0.0000 ( 4274 PWs) bands (ev): -0.0645 -0.0645 -0.0615 -0.0615 2.1800 2.1800 2.1837 2.1837 4.4105 4.4105 4.4414 4.4414 5.3441 5.3441 5.3483 5.3483 6.7765 6.7765 6.7845 6.7845 6.9672 6.9672 6.9959 6.9959 7.6162 7.6162 7.6513 7.6513 8.3600 8.3600 8.3973 8.3973 8.9529 8.9529 8.9834 8.9834 9.5675 9.5675 9.5905 9.5905 10.6432 10.6432 10.6853 10.6853 k = 0.5000 0.0812-0.0000 ( 4278 PWs) bands (ev): -0.0565 -0.0565 -0.0532 -0.0532 2.1679 2.1679 2.1720 2.1720 4.4195 4.4195 4.4546 4.4546 5.3189 5.3189 5.3242 5.3242 6.7613 6.7613 6.7697 6.7697 6.9435 6.9435 6.9745 6.9745 7.6572 7.6572 7.7012 7.7012 8.3428 8.3428 8.3803 8.3803 8.9513 8.9513 8.9829 8.9829 9.5711 9.5711 9.5937 9.5937 10.6305 10.6305 10.6754 10.6754 k = 0.5000 0.0913-0.0000 ( 4284 PWs) bands (ev): -0.0477 -0.0477 -0.0440 -0.0440 2.1545 2.1545 2.1591 2.1591 4.4298 4.4298 4.4690 4.4690 5.2924 5.2924 5.2987 5.2987 6.7467 6.7467 6.7540 6.7540 6.9224 6.9224 6.9540 6.9540 7.6908 7.6908 7.7454 7.7454 8.3289 8.3289 8.3649 8.3649 8.9489 8.9489 8.9808 8.9808 9.5765 9.5765 9.5976 9.5976 10.6177 10.6177 10.6649 10.6649 k = 0.5000 0.1015-0.0000 ( 4288 PWs) bands (ev): -0.0382 -0.0382 -0.0340 -0.0340 2.1400 2.1400 2.1450 2.1450 4.4412 4.4412 4.4845 4.4845 5.2648 5.2648 5.2722 5.2722 6.7329 6.7329 6.7368 6.7368 6.9049 6.9049 6.9345 6.9345 7.7152 7.7152 7.7821 7.7821 8.3198 8.3198 8.3526 8.3526 8.9456 8.9456 8.9771 8.9771 9.5836 9.5836 9.6023 9.6023 10.6048 10.6048 10.6539 10.6539 k = 0.5000 0.1116-0.0000 ( 4296 PWs) bands (ev): -0.0279 -0.0279 -0.0234 -0.0234 2.1245 2.1245 2.1298 2.1298 4.4538 4.4538 4.5010 4.5010 5.2368 5.2368 5.2452 5.2452 6.7173 6.7173 6.7195 6.7195 6.8917 6.8917 6.9167 6.9167 7.7290 7.7290 7.8091 7.8091 8.3166 8.3166 8.3449 8.3449 8.9411 8.9411 8.9718 8.9718 9.5924 9.5924 9.6078 9.6078 10.5922 10.5922 10.6428 10.6428 k = 0.5000 0.1218-0.0000 ( 4300 PWs) bands (ev): -0.0172 -0.0172 -0.0123 -0.0123 2.1082 2.1082 2.1139 2.1139 4.4673 4.4673 4.5184 4.5184 5.2087 5.2087 5.2181 5.2181 6.6951 6.6951 6.7057 6.7057 6.8835 6.8835 6.9012 6.9012 7.7317 7.7317 7.8253 7.8253 8.3193 8.3193 8.3428 8.3428 8.9357 8.9357 8.9651 8.9651 9.6027 9.6027 9.6144 9.6144 10.5801 10.5801 10.6319 10.6319 k = 0.5000 0.1319-0.0000 ( 4292 PWs) bands (ev): -0.0060 -0.0060 -0.0008 -0.0008 2.0913 2.0913 2.0973 2.0973 4.4816 4.4816 4.5365 4.5365 5.1810 5.1810 5.1913 5.1913 6.6705 6.6705 6.6911 6.6911 6.8802 6.8802 6.8890 6.8890 7.7241 7.7241 7.8303 7.8303 8.3272 8.3272 8.3467 8.3467 8.9293 8.9293 8.9574 8.9574 9.6142 9.6142 9.6219 9.6219 10.5685 10.5685 10.6214 10.6214 k = 0.5000 0.1421-0.0000 ( 4300 PWs) bands (ev): 0.0055 0.0055 0.0111 0.0111 2.0740 2.0740 2.0803 2.0803 4.4965 4.4965 4.5552 4.5552 5.1540 5.1540 5.1650 5.1650 6.6438 6.6438 6.6750 6.6750 6.8806 6.8806 6.8815 6.8815 7.7074 7.7074 7.8247 7.8247 8.3389 8.3389 8.3556 8.3556 8.9221 8.9221 8.9488 8.9488 9.6263 9.6263 9.6300 9.6300 10.5578 10.5578 10.6115 10.6115 k = 0.5000 0.1522-0.0000 ( 4296 PWs) bands (ev): 0.0171 0.0171 0.0230 0.0230 2.0566 2.0566 2.0632 2.0632 4.5120 4.5120 4.5743 4.5743 5.1279 5.1279 5.1396 5.1396 6.6157 6.6157 6.6572 6.6572 6.8767 6.8767 6.8869 6.8869 7.6835 7.6835 7.8102 7.8102 8.3529 8.3529 8.3682 8.3682 8.9143 8.9143 8.9398 8.9398 9.6387 9.6387 9.6388 9.6388 10.5480 10.5480 10.6024 10.6024 k = 0.5000 0.1624-0.0000 ( 4296 PWs) bands (ev): 0.0286 0.0286 0.0349 0.0349 2.0392 2.0392 2.0460 2.0460 4.5277 4.5277 4.5938 4.5938 5.1031 5.1031 5.1151 5.1151 6.5871 6.5871 6.6378 6.6378 6.8772 6.8772 6.8957 6.8957 7.6541 7.6541 7.7888 7.7888 8.3677 8.3677 8.3829 8.3829 8.9062 8.9062 8.9306 8.9306 9.6475 9.6475 9.6512 9.6512 10.5391 10.5391 10.5941 10.5941 k = 0.5000 0.1725-0.0000 ( 4300 PWs) bands (ev): 0.0400 0.0400 0.0466 0.0466 2.0222 2.0222 2.0291 2.0291 4.5436 4.5436 4.6132 4.6132 5.0798 5.0798 5.0918 5.0918 6.5586 6.5586 6.6173 6.6173 6.8820 6.8820 6.9074 6.9074 7.6208 7.6208 7.7622 7.7622 8.3823 8.3823 8.3982 8.3982 8.8980 8.8980 8.9216 8.9216 9.6563 9.6563 9.6631 9.6631 10.5312 10.5312 10.5867 10.5867 k = 0.5000 0.1827-0.0000 ( 4284 PWs) bands (ev): 0.0510 0.0510 0.0579 0.0579 2.0057 2.0057 2.0128 2.0128 4.5592 4.5592 4.6326 4.6326 5.0580 5.0580 5.0698 5.0698 6.5308 6.5308 6.5962 6.5962 6.8905 6.8905 6.9215 6.9215 7.5849 7.5849 7.7323 7.7323 8.3959 8.3959 8.4132 8.4132 8.8901 8.8901 8.9131 8.9131 9.6648 9.6648 9.6743 9.6743 10.5243 10.5243 10.5801 10.5801 k = 0.5000 0.1928-0.0000 ( 4278 PWs) bands (ev): 0.0615 0.0615 0.0686 0.0686 1.9900 1.9900 1.9973 1.9973 4.5745 4.5745 4.6516 4.6516 5.0379 5.0379 5.0491 5.0491 6.5043 6.5043 6.5754 6.5754 6.9024 6.9024 6.9375 6.9375 7.5475 7.5475 7.7003 7.7003 8.4080 8.4080 8.4270 8.4270 8.8825 8.8825 8.9053 8.9053 9.6727 9.6727 9.6845 9.6845 10.5183 10.5183 10.5745 10.5745 k = 0.5000 0.2030-0.0000 ( 4274 PWs) bands (ev): 0.0713 0.0713 0.0786 0.0786 1.9755 1.9755 1.9828 1.9828 4.5892 4.5892 4.6700 4.6700 5.0197 5.0197 5.0299 5.0299 6.4795 6.4795 6.5554 6.5554 6.9168 6.9168 6.9548 6.9548 7.5096 7.5096 7.6676 7.6676 8.4185 8.4185 8.4393 8.4393 8.8756 8.8756 8.8983 8.8983 9.6800 9.6800 9.6936 9.6936 10.5132 10.5132 10.5696 10.5696 k = 0.5000 0.2131-0.0000 ( 4274 PWs) bands (ev): 0.0802 0.0802 0.0877 0.0877 1.9622 1.9622 1.9697 1.9697 4.6028 4.6028 4.6875 4.6875 5.0035 5.0035 5.0122 5.0122 6.4570 6.4570 6.5368 6.5368 6.9334 6.9334 6.9729 6.9729 7.4723 7.4723 7.6353 7.6353 8.4273 8.4273 8.4499 8.4499 8.8694 8.8694 8.8922 8.8922 9.6865 9.6865 9.7016 9.7016 10.5089 10.5089 10.5655 10.5655 k = 0.5000 0.2233-0.0000 ( 4274 PWs) bands (ev): 0.0880 0.0880 0.0958 0.0958 1.9506 1.9506 1.9582 1.9582 4.6152 4.6152 4.7038 4.7038 4.9894 4.9894 4.9963 4.9963 6.4372 6.4372 6.5201 6.5201 6.9512 6.9512 6.9909 6.9909 7.4364 7.4364 7.6046 7.6046 8.4344 8.4344 8.4587 8.4587 8.8640 8.8640 8.8870 8.8870 9.6920 9.6920 9.7083 9.7083 10.5054 10.5054 10.5621 10.5621 k = 0.5000 0.2334-0.0000 ( 4270 PWs) bands (ev): 0.0947 0.0947 0.1026 0.1026 1.9408 1.9408 1.9484 1.9484 4.6260 4.6260 4.7183 4.7183 4.9775 4.9775 4.9823 4.9823 6.4205 6.4205 6.5059 6.5059 6.9694 6.9694 7.0081 7.0081 7.4031 7.4031 7.5766 7.5766 8.4400 8.4400 8.4657 8.4657 8.8596 8.8596 8.8828 8.8828 9.6966 9.6966 9.7138 9.7138 10.5026 10.5026 10.5594 10.5594 k = 0.5000 0.2436-0.0000 ( 4272 PWs) bands (ev): 0.1000 0.1000 0.1080 0.1080 1.9329 1.9329 1.9406 1.9406 4.6348 4.6348 4.7306 4.7306 4.9680 4.9680 4.9707 4.9707 6.4071 6.4071 6.4944 6.4944 6.9867 6.9867 7.0233 7.0233 7.3740 7.3740 7.5527 7.5527 8.4442 8.4442 8.4711 8.4711 8.8561 8.8561 8.8795 8.8795 9.7002 9.7002 9.7180 9.7180 10.5005 10.5005 10.5573 10.5573 k = 0.5000 0.2537-0.0000 ( 4270 PWs) bands (ev): 0.1038 0.1038 0.1120 0.1120 1.9272 1.9272 1.9349 1.9349 4.6414 4.6414 4.7401 4.7401 4.9611 4.9611 4.9618 4.9618 6.3974 6.3974 6.4860 6.4860 7.0014 7.0014 7.0355 7.0355 7.3507 7.3507 7.5342 7.5342 8.4471 8.4471 8.4749 8.4749 8.8536 8.8536 8.8772 8.8772 9.7027 9.7027 9.7210 9.7210 10.4990 10.4990 10.5558 10.5558 k = 0.5000 0.2639-0.0000 ( 4280 PWs) bands (ev): 0.1062 0.1062 0.1144 0.1144 1.9237 1.9237 1.9314 1.9314 4.6455 4.6455 4.7461 4.7461 4.9561 4.9561 4.9569 4.9569 6.3915 6.3915 6.4809 6.4809 7.0115 7.0115 7.0434 7.0434 7.3354 7.3354 7.5225 7.5225 8.4488 8.4488 8.4771 8.4771 8.8521 8.8521 8.8758 8.8758 9.7043 9.7043 9.7228 9.7228 10.4981 10.4981 10.5549 10.5549 k = 0.5000 0.2740-0.0000 ( 4288 PWs) bands (ev): 0.1070 0.1070 0.1152 0.1152 1.9225 1.9225 1.9302 1.9302 4.6468 4.6468 4.7482 4.7482 4.9542 4.9542 4.9554 4.9554 6.3895 6.3895 6.4792 6.4792 7.0150 7.0150 7.0461 7.0461 7.3301 7.3301 7.5185 7.5185 8.4493 8.4493 8.4778 8.4778 8.8515 8.8515 8.8753 8.8753 9.7047 9.7047 9.7233 9.7233 10.4978 10.4978 10.5547 10.5547 k = 0.5000 0.2740-0.0000 ( 4288 PWs) bands (ev): 0.1070 0.1070 0.1152 0.1152 1.9225 1.9225 1.9302 1.9302 4.6468 4.6468 4.7482 4.7482 4.9542 4.9542 4.9554 4.9554 6.3895 6.3895 6.4792 6.4792 7.0150 7.0150 7.0461 7.0461 7.3301 7.3301 7.5185 7.5185 8.4493 8.4493 8.4778 8.4778 8.8515 8.8515 8.8753 8.8753 9.7047 9.7047 9.7233 9.7233 10.4978 10.4978 10.5547 10.5547 k = 0.4900 0.2740-0.0000 ( 4282 PWs) bands (ev): 0.1014 0.1014 0.1095 0.1095 1.9221 1.9221 1.9298 1.9298 4.6359 4.6359 4.7323 4.7323 4.9748 4.9748 4.9813 4.9813 6.3799 6.3799 6.4711 6.4711 7.0135 7.0135 7.0456 7.0456 7.3393 7.3393 7.5276 7.5276 8.4495 8.4495 8.4778 8.4778 8.8514 8.8514 8.8752 8.8752 9.7056 9.7056 9.7242 9.7242 10.4992 10.4992 10.5562 10.5562 k = 0.4800 0.2740-0.0000 ( 4282 PWs) bands (ev): 0.0847 0.0847 0.0928 0.0928 1.9206 1.9206 1.9282 1.9282 4.6109 4.6109 4.7001 4.7001 5.0289 5.0289 5.0434 5.0434 6.3524 6.3524 6.4475 6.4475 7.0095 7.0095 7.0444 7.0444 7.3656 7.3656 7.5534 7.5534 8.4497 8.4497 8.4779 8.4779 8.8508 8.8508 8.8747 8.8747 9.7080 9.7080 9.7269 9.7269 10.5035 10.5035 10.5606 10.5606 k = 0.4700 0.2740-0.0000 ( 4282 PWs) bands (ev): 0.0575 0.0575 0.0654 0.0654 1.9174 1.9174 1.9249 1.9249 4.5840 4.5840 4.6694 4.6694 5.1041 5.1041 5.1240 5.1240 6.3095 6.3095 6.4100 6.4100 7.0048 7.0048 7.0439 7.0439 7.4050 7.4050 7.5926 7.5926 8.4502 8.4502 8.4780 8.4780 8.8500 8.8500 8.8740 8.8740 9.7121 9.7121 9.7316 9.7316 10.5105 10.5105 10.5679 10.5679 k = 0.4600 0.2740-0.0000 ( 4286 PWs) bands (ev): 0.0207 0.0207 0.0284 0.0284 1.9115 1.9115 1.9189 1.9189 4.5630 4.5630 4.6475 4.6475 5.1926 5.1926 5.2152 5.2152 6.2546 6.2546 6.3613 6.3613 7.0009 7.0009 7.0448 7.0448 7.4534 7.4534 7.6411 7.6411 8.4509 8.4509 8.4782 8.4782 8.8488 8.8488 8.8730 8.8730 9.7181 9.7181 9.7383 9.7383 10.5202 10.5202 10.5779 10.5779 k = 0.4500 0.2740-0.0000 ( 4290 PWs) bands (ev): -0.0247 -0.0247 -0.0173 -0.0173 1.9020 1.9020 1.9091 1.9091 4.5515 4.5515 4.6376 4.6376 5.2902 5.2902 5.3137 5.3137 6.1912 6.1912 6.3042 6.3042 6.9988 6.9988 7.0477 7.0477 7.5072 7.5072 7.6953 7.6953 8.4518 8.4518 8.4784 8.4784 8.8473 8.8473 8.8717 8.8717 9.7258 9.7258 9.7472 9.7472 10.5326 10.5326 10.5908 10.5908 k = 0.4400 0.2740-0.0000 ( 4296 PWs) bands (ev): -0.0777 -0.0777 -0.0705 -0.0705 1.8877 1.8877 1.8946 1.8946 4.5513 4.5513 4.6409 4.6409 5.3942 5.3942 5.4168 5.4168 6.1224 6.1224 6.2413 6.2413 6.9988 6.9988 7.0527 7.0527 7.5636 7.5636 7.7522 7.7522 8.4530 8.4530 8.4787 8.4787 8.8454 8.8454 8.8703 8.8703 9.7356 9.7356 9.7585 9.7585 10.5474 10.5474 10.6061 10.6061 k = 0.4300 0.2740-0.0000 ( 4296 PWs) bands (ev): -0.1369 -0.1369 -0.1301 -0.1301 1.8679 1.8679 1.8745 1.8745 4.5630 4.5630 4.6578 4.6578 5.5028 5.5028 5.5224 5.5224 6.0516 6.0516 6.1755 6.1755 7.0011 7.0011 7.0599 7.0599 7.6205 7.6205 7.8094 7.8094 8.4546 8.4546 8.4791 8.4791 8.8434 8.8434 8.8688 8.8688 9.7474 9.7474 9.7725 9.7725 10.5644 10.5644 10.6237 10.6237 k = 0.4200 0.2740-0.0000 ( 4300 PWs) bands (ev): -0.2015 -0.2015 -0.1950 -0.1950 1.8422 1.8422 1.8484 1.8484 4.5860 4.5860 4.6882 4.6882 5.6142 5.6142 5.6260 5.6260 5.9835 5.9835 6.1093 6.1093 7.0056 7.0056 7.0694 7.0694 7.6763 7.6763 7.8652 7.8652 8.4567 8.4567 8.4797 8.4797 8.8412 8.8412 8.8672 8.8672 9.7615 9.7615 9.7894 9.7894 10.5832 10.5832 10.6432 10.6432 k = 0.4100 0.2740-0.0000 ( 4292 PWs) bands (ev): -0.2702 -0.2702 -0.2640 -0.2640 1.8103 1.8103 1.8162 1.8162 4.6192 4.6192 4.7308 4.7308 5.7145 5.7145 5.7263 5.7263 5.9321 5.9321 6.0463 6.0463 7.0123 7.0123 7.0813 7.0813 7.7298 7.7298 7.9181 7.9181 8.4592 8.4592 8.4806 8.4806 8.8389 8.8389 8.8657 8.8657 9.7783 9.7783 9.8097 9.8097 10.6034 10.6034 10.6640 10.6640 k = 0.4000 0.2740-0.0000 ( 4296 PWs) bands (ev): -0.3423 -0.3423 -0.3364 -0.3364 1.7725 1.7725 1.7780 1.7780 4.6604 4.6604 4.7840 4.7840 5.7424 5.7424 5.8323 5.8323 5.9437 5.9437 5.9944 5.9944 7.0213 7.0213 7.0959 7.0959 7.7802 7.7802 7.9670 7.9670 8.4624 8.4624 8.4816 8.4816 8.8366 8.8366 8.8644 8.8644 9.7977 9.7977 9.8335 9.8335 10.6243 10.6243 10.6853 10.6853 k = 0.3900 0.2740-0.0000 ( 4300 PWs) bands (ev): -0.4169 -0.4169 -0.4113 -0.4113 1.7291 1.7291 1.7342 1.7342 4.7066 4.7066 4.8449 4.8449 5.7035 5.7035 5.8855 5.8855 6.0020 6.0020 6.0257 6.0257 7.0328 7.0328 7.1136 7.1136 7.8266 7.8266 8.0111 8.0111 8.4662 8.4662 8.4828 8.4828 8.8344 8.8344 8.8634 8.8634 9.8202 9.8202 9.8614 9.8614 10.6449 10.6449 10.7065 10.7065 k = 0.3800 0.2740-0.0000 ( 4302 PWs) bands (ev): -0.4933 -0.4933 -0.4879 -0.4879 1.6808 1.6808 1.6856 1.6856 4.7537 4.7537 4.9089 4.9089 5.6514 5.6514 5.8611 5.8611 6.0962 6.0962 6.1272 6.1272 7.0472 7.0472 7.1350 7.1350 7.8688 7.8688 8.0496 8.0496 8.4707 8.4707 8.4843 8.4843 8.8324 8.8324 8.8628 8.8628 9.8459 9.8459 9.8936 9.8936 10.6643 10.6643 10.7264 10.7264 k = 0.3700 0.2740-0.0000 ( 4310 PWs) bands (ev): -0.5709 -0.5709 -0.5658 -0.5658 1.6282 1.6282 1.6326 1.6326 4.7965 4.7965 4.9686 4.9686 5.6085 5.6085 5.8352 5.8352 6.2042 6.2042 6.2310 6.2310 7.0649 7.0649 7.1606 7.1606 7.9063 7.9063 8.0822 8.0822 8.4760 8.4760 8.4863 8.4863 8.8309 8.8309 8.8628 8.8628 9.8752 9.8752 9.9305 9.9305 10.6815 10.6815 10.7439 10.7439 k = 0.3600 0.2740-0.0000 ( 4306 PWs) bands (ev): -0.6491 -0.6491 -0.6442 -0.6442 1.5721 1.5721 1.5761 1.5761 4.8295 4.8295 5.0126 5.0126 5.5889 5.5889 5.8259 5.8259 6.3108 6.3108 6.3316 6.3316 7.0867 7.0867 7.1913 7.1913 7.9390 7.9390 8.1089 8.1089 8.4821 8.4821 8.4886 8.4886 8.8299 8.8299 8.8635 8.8635 9.9084 9.9084 9.9725 9.9725 10.6953 10.6953 10.7580 10.7580 k = 0.3500 0.2740-0.0000 ( 4304 PWs) bands (ev): -0.7276 -0.7276 -0.7229 -0.7229 1.5132 1.5132 1.5169 1.5169 4.8476 4.8476 5.0287 5.0287 5.6050 5.6050 5.8393 5.8393 6.4125 6.4125 6.4263 6.4263 7.1136 7.1136 7.2279 7.2279 7.9669 7.9669 8.1298 8.1298 8.4888 8.4888 8.4913 8.4913 8.8297 8.8297 8.8652 8.8652 9.9457 9.9457 10.0198 10.0198 10.7048 10.7048 10.7680 10.7680 k = 0.3400 0.2740-0.0000 ( 4308 PWs) bands (ev): -0.8058 -0.8058 -0.8014 -0.8014 1.4521 1.4521 1.4555 1.4555 4.8479 4.8479 5.0133 5.0133 5.6602 5.6602 5.8778 5.8778 6.5068 6.5068 6.5130 6.5130 7.1466 7.1466 7.2711 7.2711 7.9902 7.9902 8.1451 8.1451 8.4942 8.4942 8.4960 8.4960 8.8305 8.8305 8.8677 8.8677 9.9875 9.9875 10.0726 10.0726 10.7096 10.7096 10.7735 10.7735 k = 0.3300 0.2740-0.0000 ( 4312 PWs) bands (ev): -0.8835 -0.8835 -0.8793 -0.8793 1.3895 1.3895 1.3926 1.3926 4.8308 4.8308 4.9733 4.9733 5.7466 5.7466 5.9402 5.9402 6.5904 6.5904 6.5916 6.5916 7.1869 7.1869 7.3209 7.3209 8.0092 8.0092 8.1555 8.1555 8.4975 8.4975 8.5033 8.5033 8.8324 8.8324 8.8713 8.8713 10.0337 10.0337 10.1310 10.1310 10.7099 10.7099 10.7747 10.7747 k = 0.3200 0.2740-0.0000 ( 4312 PWs) bands (ev): -0.9605 -0.9605 -0.9565 -0.9565 1.3259 1.3259 1.3287 1.3287 4.7990 4.7990 4.9184 4.9184 5.8535 5.8535 6.0228 6.0228 6.6580 6.6580 6.6657 6.6657 7.2351 7.2351 7.3769 7.3769 8.0242 8.0242 8.1617 8.1617 8.5010 8.5010 8.5108 8.5108 8.8358 8.8358 8.8762 8.8762 10.0845 10.0845 10.1944 10.1944 10.7068 10.7068 10.7727 10.7727 k = 0.3100 0.2740-0.0000 ( 4308 PWs) bands (ev): -1.0363 -1.0363 -1.0325 -1.0325 1.2617 1.2617 1.2643 1.2643 4.7563 4.7563 4.8555 4.8555 5.9732 5.9732 6.1207 6.1207 6.7160 6.7160 6.7285 6.7285 7.2909 7.2909 7.4381 7.4381 8.0358 8.0358 8.1641 8.1641 8.5046 8.5046 8.5182 8.5182 8.8407 8.8407 8.8823 8.8823 10.1391 10.1391 10.2619 10.2619 10.7026 10.7026 10.7696 10.7696 k = 0.3000 0.2740-0.0000 ( 4304 PWs) bands (ev): -1.1109 -1.1109 -1.1073 -1.1073 1.1975 1.1975 1.1999 1.1999 4.7059 4.7059 4.7885 4.7885 6.1005 6.1005 6.2294 6.2294 6.7656 6.7656 6.7811 6.7811 7.3531 7.3531 7.5024 7.5024 8.0447 8.0447 8.1636 8.1636 8.5084 8.5084 8.5255 8.5255 8.8473 8.8473 8.8898 8.8898 10.1966 10.1966 10.3304 10.3304 10.7019 10.7019 10.7680 10.7680 k = 0.2900 0.2740-0.0000 ( 4304 PWs) bands (ev): -1.1840 -1.1840 -1.1806 -1.1806 1.1336 1.1336 1.1357 1.1357 4.6505 4.6505 4.7198 4.7198 6.2318 6.2318 6.3446 6.3446 6.8082 6.8082 6.8254 6.8254 7.4196 7.4196 7.5678 7.5678 8.0513 8.0513 8.1608 8.1608 8.5122 8.5122 8.5326 8.5326 8.8558 8.8558 8.8986 8.8986 10.2545 10.2545 10.3940 10.3940 10.7123 10.7123 10.7720 10.7720 k = 0.2800 0.2740-0.0000 ( 4308 PWs) bands (ev): -1.2555 -1.2555 -1.2522 -1.2522 1.0702 1.0702 1.0722 1.0722 4.5920 4.5920 4.6505 4.6505 6.3639 6.3639 6.4621 6.4621 6.8460 6.8460 6.8641 6.8641 7.4882 7.4882 7.6322 7.6322 8.0566 8.0566 8.1564 8.1564 8.5161 8.5161 8.5396 8.5396 8.8661 8.8661 8.9090 8.9090 10.3094 10.3094 10.4425 10.4425 10.7456 10.7456 10.7869 10.7869 k = 0.2700 0.2740-0.0000 ( 4308 PWs) bands (ev): -1.3252 -1.3252 -1.3221 -1.3221 1.0078 1.0078 1.0096 1.0096 4.5318 4.5318 4.5817 4.5817 6.4936 6.4936 6.5776 6.5776 6.8811 6.8811 6.9006 6.9006 7.5572 7.5572 7.6938 7.6938 8.0614 8.0614 8.1510 8.1510 8.5201 8.5201 8.5466 8.5466 8.8783 8.8783 8.9209 8.9209 10.3570 10.3570 10.4692 10.4692 10.8102 10.8102 10.8186 10.8186 k = 0.2600 0.2740-0.0000 ( 4308 PWs) bands (ev): -1.3931 -1.3931 -1.3901 -1.3901 0.9465 0.9465 0.9482 0.9482 4.4710 4.4710 4.5139 4.5139 6.6163 6.6163 6.6847 6.6847 6.9171 6.9171 6.9397 6.9397 7.6252 7.6252 7.7515 7.7515 8.0667 8.0667 8.1454 8.1454 8.5243 8.5243 8.5535 8.5535 8.8922 8.8922 8.9342 8.9342 10.3939 10.3939 10.4787 10.4787 10.8718 10.8718 10.9031 10.9031 k = 0.2500 0.2740-0.0000 ( 4304 PWs) bands (ev): -1.4589 -1.4589 -1.4561 -1.4561 0.8865 0.8865 0.8881 0.8881 4.4104 4.4104 4.4474 4.4474 6.7248 6.7248 6.7744 6.7744 6.9599 6.9599 6.9890 6.9890 7.6914 7.6914 7.8044 7.8044 8.0732 8.0732 8.1401 8.1401 8.5288 8.5288 8.5607 8.5607 8.9076 8.9076 8.9490 8.9490 10.4206 10.4206 10.4803 10.4803 10.9472 10.9472 11.0165 11.0165 k = 0.2400 0.2740-0.0000 ( 4308 PWs) bands (ev): -1.5227 -1.5227 -1.5200 -1.5200 0.8281 0.8281 0.8295 0.8295 4.3504 4.3504 4.3826 4.3826 6.8087 6.8087 6.8385 6.8385 7.0180 7.0180 7.0547 7.0547 7.7557 7.7557 7.8523 7.8523 8.0820 8.0820 8.1360 8.1360 8.5337 8.5337 8.5681 8.5681 8.9242 8.9242 8.9649 8.9649 10.4406 10.4406 10.4811 10.4811 11.0420 11.0420 11.1446 11.1446 k = 0.2300 0.2740-0.0000 ( 4310 PWs) bands (ev): -1.5842 -1.5842 -1.5817 -1.5817 0.7712 0.7712 0.7726 0.7726 4.2914 4.2914 4.3196 4.3196 6.8636 6.8636 6.8795 6.8795 7.0940 7.0940 7.1323 7.1323 7.8179 7.8179 7.8956 7.8956 8.0938 8.0938 8.1338 8.1338 8.5394 8.5394 8.5760 8.5760 8.9414 8.9414 8.9817 8.9817 10.4589 10.4589 10.4857 10.4857 11.1519 11.1519 11.2841 11.2841 k = 0.2200 0.2740-0.0000 ( 4314 PWs) bands (ev): -1.6435 -1.6435 -1.6411 -1.6411 0.7162 0.7162 0.7175 0.7175 4.2339 4.2339 4.2586 4.2586 6.8980 6.8980 6.9066 6.9066 7.1772 7.1772 7.2109 7.2109 7.8775 7.8775 7.9350 7.9350 8.1089 8.1089 8.1345 8.1345 8.5461 8.5461 8.5846 8.5846 8.9587 8.9587 8.9988 8.9988 10.4799 10.4799 10.4972 10.4972 11.2728 11.2728 11.4331 11.4331 k = 0.2100 0.2740-0.0000 ( 4308 PWs) bands (ev): -1.7005 -1.7005 -1.6982 -1.6982 0.6632 0.6632 0.6643 0.6643 4.1780 4.1780 4.1999 4.1999 6.9215 6.9215 6.9262 6.9262 7.2561 7.2561 7.2824 7.2824 7.9336 7.9336 7.9718 7.9718 8.1275 8.1275 8.1395 8.1395 8.5543 8.5543 8.5944 8.5944 8.9755 8.9755 9.0156 9.0156 10.5071 10.5071 10.5184 10.5184 11.4011 11.4011 11.5900 11.5900 k = 0.2000 0.2740-0.0000 ( 4304 PWs) bands (ev): -1.7551 -1.7551 -1.7530 -1.7530 0.6121 0.6121 0.6132 0.6132 4.1240 4.1240 4.1434 4.1434 6.9391 6.9391 6.9414 6.9414 7.3243 7.3243 7.3434 7.3434 7.9838 7.9838 8.0065 8.0065 8.1494 8.1494 8.1507 8.1507 8.5644 8.5644 8.6057 8.6057 8.9909 8.9909 9.0313 9.0313 10.5433 10.5433 10.5514 10.5514 11.5334 11.5334 11.7534 11.7534 k = 0.1900 0.2740-0.0000 ( 4312 PWs) bands (ev): -1.8073 -1.8073 -1.8053 -1.8053 0.5632 0.5632 0.5642 0.5642 4.0721 4.0721 4.0892 4.0892 6.9531 6.9531 6.9538 6.9538 7.3793 7.3793 7.3926 7.3926 8.0247 8.0247 8.0391 8.0391 8.1700 8.1700 8.1739 8.1739 8.5769 8.5769 8.6188 8.6188 9.0043 9.0043 9.0450 9.0450 10.5904 10.5904 10.5981 10.5981 11.6659 11.6659 11.9213 11.9213 k = 0.1800 0.2740-0.0000 ( 4324 PWs) bands (ev): -1.8570 -1.8570 -1.8551 -1.8551 0.5164 0.5164 0.5173 0.5173 4.0223 4.0223 4.0375 4.0375 6.9641 6.9641 6.9647 6.9647 7.4213 7.4213 7.4304 7.4304 8.0549 8.0549 8.0690 8.0690 8.1973 8.1973 8.2000 8.2000 8.5924 8.5924 8.6341 8.6341 9.0151 9.0151 9.0558 9.0558 10.6500 10.6500 10.6597 10.6597 11.7949 11.7949 12.0903 12.0903 k = 0.1700 0.2740-0.0000 ( 4312 PWs) bands (ev): -1.9042 -1.9042 -1.9025 -1.9025 0.4719 0.4719 0.4727 0.4727 3.9747 3.9747 3.9883 3.9883 6.9729 6.9729 6.9744 6.9744 7.4516 7.4516 7.4584 7.4584 8.0765 8.0765 8.0958 8.0958 8.2265 8.2265 8.2290 8.2290 8.6110 8.6110 8.6518 8.6518 9.0228 9.0228 9.0632 9.0632 10.7229 10.7229 10.7371 10.7371 11.9159 11.9159 12.2489 12.2489 k = 0.1600 0.2740-0.0000 ( 4304 PWs) bands (ev): -1.9489 -1.9489 -1.9472 -1.9472 0.4297 0.4297 0.4305 0.4305 3.9296 3.9296 3.9417 3.9417 6.9805 6.9805 6.9826 6.9826 7.4723 7.4723 7.4781 7.4781 8.0930 8.0930 8.1193 8.1193 8.2513 8.2513 8.2601 8.2601 8.6328 8.6328 8.6718 8.6718 9.0270 9.0270 9.0667 9.0667 10.8089 10.8089 10.8300 10.8300 12.0251 12.0251 12.3388 12.3388 k = 0.1500 0.2740-0.0000 ( 4304 PWs) bands (ev): -1.9910 -1.9910 -1.9894 -1.9894 0.3898 0.3898 0.3906 0.3906 3.8868 3.8868 3.8977 3.8977 6.9869 6.9869 6.9896 6.9896 7.4856 7.4856 7.4911 7.4911 8.1071 8.1071 8.1398 8.1398 8.2732 8.2732 8.2877 8.2877 8.6569 8.6569 8.6935 8.6935 9.0277 9.0277 9.0661 9.0661 10.9073 10.9073 10.9374 10.9374 12.1193 12.1193 12.3450 12.3450 k = 0.1400 0.2740-0.0000 ( 4308 PWs) bands (ev): -2.0304 -2.0304 -2.0290 -2.0290 0.3524 0.3524 0.3531 0.3531 3.8467 3.8467 3.8563 3.8563 6.9923 6.9923 6.9954 6.9954 7.4933 7.4933 7.4989 7.4989 8.1200 8.1200 8.1580 8.1580 8.2915 8.2915 8.3106 8.3106 8.6826 8.6826 8.7163 8.7163 9.0251 9.0251 9.0617 9.0617 11.0163 11.0163 11.0578 11.0578 12.1977 12.1977 12.3365 12.3365 k = 0.1300 0.2740-0.0000 ( 4304 PWs) bands (ev): -2.0673 -2.0673 -2.0659 -2.0659 0.3174 0.3174 0.3180 0.3180 3.8090 3.8090 3.8177 3.8177 6.9970 6.9970 7.0003 7.0003 7.4971 7.4971 7.5029 7.5029 8.1324 8.1324 8.1742 8.1742 8.3063 8.3063 8.3290 8.3290 8.7087 8.7087 8.7394 8.7394 9.0195 9.0195 9.0538 9.0538 11.1336 11.1336 11.1886 11.1886 12.2615 12.2615 12.3261 12.3261 k = 0.1200 0.2740-0.0000 ( 4296 PWs) bands (ev): -2.1014 -2.1014 -2.1002 -2.1002 0.2849 0.2849 0.2855 0.2855 3.7741 3.7741 3.7817 3.7817 7.0008 7.0008 7.0042 7.0042 7.4981 7.4981 7.5041 7.5041 8.1444 8.1444 8.1887 8.1887 8.3181 8.3181 8.3435 8.3435 8.7342 8.7342 8.7620 8.7620 9.0114 9.0114 9.0431 9.0431 11.2562 11.2562 11.3269 11.3269 12.3132 12.3132 12.3173 12.3173 k = 0.1100 0.2740-0.0000 ( 4304 PWs) bands (ev): -2.1330 -2.1330 -2.1318 -2.1318 0.2549 0.2549 0.2554 0.2554 3.7418 3.7418 3.7485 3.7485 7.0040 7.0040 7.0074 7.0074 7.4972 7.4972 7.5032 7.5032 8.1561 8.1561 8.2018 8.2018 8.3274 8.3274 8.3547 8.3547 8.7583 8.7583 8.7834 8.7834 9.0012 9.0012 9.0300 9.0300 11.3803 11.3803 11.4686 11.4686 12.3127 12.3127 12.3562 12.3562 k = 0.1000 0.2740-0.0000 ( 4308 PWs) bands (ev): -2.1618 -2.1618 -2.1608 -2.1608 0.2274 0.2274 0.2279 0.2279 3.7122 3.7122 3.7181 3.7181 7.0066 7.0066 7.0100 7.0100 7.4951 7.4951 7.5011 7.5011 8.1675 8.1675 8.2134 8.2134 8.3352 8.3352 8.3634 8.3634 8.7805 8.7805 8.8033 8.8033 8.9898 8.9898 9.0153 9.0153 11.5013 11.5013 11.6085 11.6085 12.3157 12.3157 12.3935 12.3935 k = 0.0900 0.2740-0.0000 ( 4318 PWs) bands (ev): -2.1879 -2.1879 -2.1870 -2.1870 0.2025 0.2025 0.2029 0.2029 3.6853 3.6853 3.6906 3.6906 7.0087 7.0087 7.0119 7.0119 7.4923 7.4923 7.4980 7.4980 8.1786 8.1786 8.2235 8.2235 8.3419 8.3419 8.3703 8.3703 8.8004 8.8004 8.8213 8.8213 8.9777 8.9777 8.9997 8.9997 11.6141 11.6141 11.7388 11.7388 12.3311 12.3311 12.4267 12.4267 k = 0.0800 0.2740-0.0000 ( 4318 PWs) bands (ev): -2.2113 -2.2113 -2.2105 -2.2105 0.1801 0.1801 0.1805 0.1805 3.6613 3.6613 3.6658 3.6658 7.0103 7.0103 7.0133 7.0133 7.4891 7.4891 7.4945 7.4945 8.1891 8.1891 8.2322 8.2322 8.3480 8.3480 8.3757 8.3757 8.8176 8.8176 8.8372 8.8372 8.9657 8.9657 8.9838 8.9838 11.7139 11.7139 11.8494 11.8494 12.3656 12.3656 12.4550 12.4550 k = 0.0700 0.2740-0.0000 ( 4322 PWs) bands (ev): -2.2319 -2.2319 -2.2312 -2.2312 0.1604 0.1604 0.1607 0.1607 3.6400 3.6400 3.6439 3.6439 7.0116 7.0116 7.0143 7.0143 7.4859 7.4859 7.4908 7.4908 8.1992 8.1992 8.2393 8.2393 8.3538 8.3538 8.3801 8.3801 8.8321 8.8321 8.8507 8.8507 8.9543 8.9543 8.9684 8.9684 11.7969 11.7969 11.9305 11.9305 12.4223 12.4223 12.4769 12.4769 k = 0.0600 0.2740-0.0000 ( 4326 PWs) bands (ev): -2.2498 -2.2498 -2.2492 -2.2492 0.1433 0.1433 0.1436 0.1436 3.6216 3.6216 3.6248 3.6248 7.0126 7.0126 7.0150 7.0150 7.4829 7.4829 7.4873 7.4873 8.2086 8.2086 8.2448 8.2448 8.3596 8.3596 8.3836 8.3836 8.8434 8.8434 8.8614 8.8614 8.9445 8.9445 8.9543 8.9543 11.8621 11.8621 11.9807 11.9807 12.4859 12.4859 12.4928 12.4928 k = 0.0500 0.2740-0.0000 ( 4330 PWs) bands (ev): -2.2650 -2.2650 -2.2645 -2.2645 0.1288 0.1288 0.1290 0.1290 3.6060 3.6060 3.6087 3.6087 7.0134 7.0134 7.0154 7.0154 7.4802 7.4802 7.4839 7.4839 8.2172 8.2172 8.2486 8.2486 8.3654 8.3654 8.3863 8.3863 8.8517 8.8517 8.8691 8.8691 8.9367 8.9367 8.9424 8.9424 11.9108 11.9108 12.0076 12.0076 12.5046 12.5046 12.5225 12.5225 k = 0.0400 0.2740-0.0000 ( 4336 PWs) bands (ev): -2.2774 -2.2774 -2.2770 -2.2770 0.1169 0.1169 0.1171 0.1171 3.5932 3.5932 3.5954 3.5954 7.0139 7.0139 7.0156 7.0156 7.4779 7.4779 7.4809 7.4809 8.2250 8.2250 8.2509 8.2509 8.3709 8.3709 8.3882 8.3882 8.8570 8.8570 8.8731 8.8731 8.9315 8.9315 8.9337 8.9337 11.9462 11.9462 12.0202 12.0202 12.5136 12.5136 12.5347 12.5347 k = 0.0300 0.2740-0.0000 ( 4338 PWs) bands (ev): -2.2870 -2.2870 -2.2867 -2.2867 0.1076 0.1076 0.1078 0.1078 3.5834 3.5834 3.5850 3.5850 7.0143 7.0143 7.0156 7.0156 7.4762 7.4762 7.4785 7.4785 8.2319 8.2319 8.2517 8.2517 8.3761 8.3761 8.3893 8.3893 8.8599 8.8599 8.8735 8.8735 8.9285 8.9285 8.9287 8.9287 11.9716 11.9716 12.0245 12.0245 12.5207 12.5207 12.5383 12.5383 k = 0.0200 0.2740-0.0000 ( 4338 PWs) bands (ev): -2.2939 -2.2939 -2.2937 -2.2937 0.1010 0.1010 0.1011 0.1011 3.5764 3.5764 3.5775 3.5775 7.0147 7.0147 7.0155 7.0155 7.4750 7.4750 7.4766 7.4766 8.2379 8.2379 8.2513 8.2513 8.3807 8.3807 8.3896 8.3896 8.8615 8.8615 8.8712 8.8712 8.9267 8.9267 8.9272 8.9272 11.9900 11.9900 12.0239 12.0239 12.5264 12.5264 12.5387 12.5387 k = 0.0100 0.2740-0.0000 ( 4344 PWs) bands (ev): -2.2980 -2.2980 -2.2979 -2.2979 0.0971 0.0971 0.0971 0.0971 3.5723 3.5723 3.5728 3.5728 7.0150 7.0150 7.0154 7.0154 7.4744 7.4744 7.4752 7.4752 8.2428 8.2428 8.2495 8.2495 8.3844 8.3844 8.3889 8.3889 8.8630 8.8630 8.8680 8.8680 8.9263 8.9263 8.9267 8.9267 12.0034 12.0034 12.0199 12.0199 12.5311 12.5311 12.5373 12.5373 k = 0.0000 0.2740-0.0000 ( 4336 PWs) bands (ev): -2.2994 -2.2994 -2.2994 -2.2994 0.0958 0.0958 0.0958 0.0958 3.5711 3.5711 3.5711 3.5711 7.0152 7.0152 7.0152 7.0152 7.4745 7.4745 7.4745 7.4745 8.2467 8.2467 8.2467 8.2467 8.3872 8.3872 8.3872 8.3872 8.8651 8.8651 8.8651 8.8651 8.9264 8.9264 8.9264 8.9264 12.0132 12.0132 12.0132 12.0132 12.5347 12.5347 12.5347 12.5347 k = 0.0000 0.2740-0.0000 ( 4336 PWs) bands (ev): -2.2994 -2.2994 -2.2994 -2.2994 0.0958 0.0958 0.0958 0.0958 3.5711 3.5711 3.5711 3.5711 7.0152 7.0152 7.0152 7.0152 7.4745 7.4745 7.4745 7.4745 8.2467 8.2467 8.2467 8.2467 8.3872 8.3872 8.3872 8.3872 8.8651 8.8651 8.8651 8.8651 8.9264 8.9264 8.9264 8.9264 12.0132 12.0132 12.0132 12.0132 12.5347 12.5347 12.5347 12.5347 k = 0.0000 0.2639-0.0000 ( 4344 PWs) bands (ev): -2.3693 -2.3693 -2.2276 -2.2276 0.0862 0.0862 0.1042 0.1042 3.5531 3.5531 3.5959 3.5959 6.8867 6.8867 7.1223 7.1223 7.4567 7.4567 7.5016 7.5016 8.2302 8.2302 8.2626 8.2626 8.3794 8.3794 8.3974 8.3974 8.8550 8.8550 8.8750 8.8750 8.9236 8.9236 8.9297 8.9297 11.9359 11.9359 12.0556 12.0556 12.5143 12.5143 12.5911 12.5911 k = 0.0000 0.2537-0.0000 ( 4346 PWs) bands (ev): -2.4372 -2.4372 -2.1541 -2.1541 0.0754 0.0754 0.1114 0.1114 3.5418 3.5418 3.6274 3.6274 6.7435 6.7435 7.2006 7.2006 7.4432 7.4432 7.5435 7.5435 8.2132 8.2132 8.2774 8.2774 8.3734 8.3734 8.4106 8.4106 8.8447 8.8447 8.8846 8.8846 8.9213 8.9213 8.9335 8.9335 11.8375 11.8375 12.0591 12.0591 12.5316 12.5316 12.6697 12.6697 k = 0.0000 0.2436-0.0000 ( 4334 PWs) bands (ev): -2.5031 -2.5031 -2.0791 -2.0791 0.0636 0.0636 0.1175 0.1175 3.5373 3.5373 3.6655 3.6655 6.5903 6.5903 7.2480 7.2480 7.4310 7.4310 7.6001 7.6001 8.1958 8.1958 8.2910 8.2910 8.3689 8.3689 8.4275 8.4275 8.8341 8.8341 8.8939 8.8939 8.9194 8.9194 8.9380 8.9380 11.7288 11.7288 12.0366 12.0366 12.5718 12.5718 12.7112 12.7112 k = 0.0000 0.2334-0.0000 ( 4336 PWs) bands (ev): -2.5668 -2.5668 -2.0028 -2.0028 0.0507 0.0507 0.1225 0.1225 3.5395 3.5395 3.7101 3.7101 6.4305 6.4305 7.2712 7.2712 7.4177 7.4177 7.6633 7.6633 8.1782 8.1782 8.3027 8.3027 8.3655 8.3655 8.4477 8.4477 8.8232 8.8232 8.9028 8.9028 8.9180 8.9180 8.9431 8.9431 11.6167 11.6167 12.0054 12.0054 12.5983 12.5983 12.6640 12.6640 k = 0.0000 0.2233-0.0000 ( 4326 PWs) bands (ev): -2.6282 -2.6282 -1.9253 -1.9253 0.0370 0.0370 0.1266 0.1266 3.5482 3.5482 3.7609 3.7609 6.2661 6.2661 7.2794 7.2794 7.4019 7.4019 7.7235 7.7235 8.1603 8.1603 8.3124 8.3124 8.3631 8.3631 8.4707 8.4707 8.8119 8.8119 8.9111 8.9111 8.9170 8.9170 8.9489 8.9489 11.5050 11.5050 11.9769 11.9769 12.5337 12.5337 12.6973 12.6973 k = 0.0000 0.2131-0.0000 ( 4318 PWs) bands (ev): -2.6873 -2.6873 -1.8469 -1.8469 0.0225 0.0225 0.1299 0.1299 3.5633 3.5633 3.8180 3.8180 6.0991 6.0991 7.2788 7.2788 7.3824 7.3824 7.7745 7.7745 8.1424 8.1424 8.3203 8.3203 8.3614 8.3614 8.4940 8.4940 8.8001 8.8001 8.9160 8.9160 8.9193 8.9193 8.9551 8.9551 11.3962 11.3962 11.9584 11.9584 12.4497 12.4497 12.7495 12.7495 k = 0.0000 0.2030-0.0000 ( 4334 PWs) bands (ev): -2.7440 -2.7440 -1.7679 -1.7679 0.0073 0.0073 0.1327 0.1327 3.5846 3.5846 3.8809 3.8809 5.9306 5.9306 7.2726 7.2726 7.3584 7.3584 7.8138 7.8138 8.1248 8.1248 8.3264 8.3264 8.3602 8.3602 8.5150 8.5150 8.7877 8.7877 8.9158 8.9158 8.9264 8.9264 8.9616 8.9616 11.2920 11.2920 11.9540 11.9540 12.3663 12.3663 12.8010 12.8010 k = 0.0000 0.1928-0.0000 ( 4336 PWs) bands (ev): -2.7981 -2.7981 -1.6886 -1.6886 -0.0082 -0.0082 0.1353 0.1353 3.6118 3.6118 3.9496 3.9496 5.7620 5.7620 7.2628 7.2628 7.3292 7.3292 7.8409 7.8409 8.1077 8.1077 8.3313 8.3313 8.3595 8.3595 8.5305 8.5305 8.7751 8.7751 8.9159 8.9159 8.9333 8.9333 8.9681 8.9681 11.1933 11.1933 11.9659 11.9659 12.2861 12.2861 12.8496 12.8496 k = 0.0000 0.1827-0.0000 ( 4332 PWs) bands (ev): -2.8498 -2.8498 -1.6094 -1.6094 -0.0241 -0.0241 0.1378 0.1378 3.6447 3.6447 4.0237 4.0237 5.5941 5.5941 7.2491 7.2491 7.2957 7.2957 7.8558 7.8558 8.0915 8.0915 8.3349 8.3349 8.3591 8.3591 8.5382 8.5382 8.7629 8.7629 8.9163 8.9163 8.9401 8.9401 8.9745 8.9745 11.1009 11.1009 11.9936 11.9936 12.2119 12.2119 12.8951 12.8951 k = 0.0000 0.1725-0.0000 ( 4336 PWs) bands (ev): -2.8989 -2.8989 -1.5307 -1.5307 -0.0401 -0.0401 0.1407 0.1407 3.6828 3.6828 4.1031 4.1031 5.4280 5.4280 7.2272 7.2272 7.2626 7.2626 7.8586 7.8586 8.0764 8.0764 8.3375 8.3375 8.3589 8.3589 8.5364 8.5364 8.7518 8.7518 8.9171 8.9171 8.9467 8.9467 8.9809 8.9809 11.0154 11.0154 12.0261 12.0261 12.1548 12.1548 12.9375 12.9375 k = 0.0000 0.1624-0.0000 ( 4332 PWs) bands (ev): -2.9454 -2.9454 -1.4529 -1.4529 -0.0560 -0.0560 0.1443 0.1443 3.7257 3.7257 4.1873 4.1873 5.2645 5.2645 7.1877 7.1877 7.2397 7.2397 7.8492 7.8492 8.0629 8.0629 8.3390 8.3390 8.3587 8.3587 8.5255 8.5255 8.7425 8.7425 8.9183 8.9183 8.9529 8.9529 8.9874 8.9874 10.9367 10.9367 12.0154 12.0154 12.1619 12.1619 12.9775 12.9775 k = 0.0000 0.1522-0.0000 ( 4326 PWs) bands (ev): -2.9892 -2.9892 -1.3766 -1.3766 -0.0718 -0.0718 0.1490 0.1490 3.7729 3.7729 4.2759 4.2759 5.1048 5.1048 7.1348 7.1348 7.2233 7.2233 7.8266 7.8266 8.0509 8.0509 8.3390 8.3390 8.3585 8.3585 8.5078 8.5078 8.7351 8.7351 8.9198 8.9198 8.9586 8.9586 8.9944 8.9944 10.8652 10.8652 11.9605 11.9605 12.2319 12.2319 13.0160 13.0160 k = 0.0000 0.1421-0.0000 ( 4320 PWs) bands (ev): -3.0303 -3.0303 -1.3023 -1.3023 -0.0873 -0.0873 0.1551 0.1551 3.8239 3.8239 4.3682 4.3682 4.9501 4.9501 7.0739 7.0739 7.2086 7.2086 7.7900 7.7900 8.0406 8.0406 8.3371 8.3371 8.3584 8.3584 8.4869 8.4869 8.7293 8.7293 8.9217 8.9217 8.9637 8.9637 9.0021 9.0021 10.8006 10.8006 11.8986 11.8986 12.3241 12.3241 13.0544 13.0544 k = 0.0000 0.1319-0.0000 ( 4312 PWs) bands (ev): -3.0687 -3.0687 -1.2307 -1.2307 -0.1023 -0.1023 0.1629 0.1629 3.8778 3.8778 4.4620 4.4620 4.8035 4.8035 7.0069 7.0069 7.1943 7.1943 7.7388 7.7388 8.0317 8.0317 8.3327 8.3327 8.3586 8.3586 8.4668 8.4668 8.7245 8.7245 8.9238 8.9238 8.9682 8.9682 9.0103 9.0103 10.7428 10.7428 11.8377 11.8377 12.4260 12.4260 13.0947 13.0947 k = 0.0000 0.1218-0.0000 ( 4320 PWs) bands (ev): -3.1044 -3.1044 -1.1624 -1.1624 -0.1167 -0.1167 0.1729 0.1729 3.9335 3.9335 4.5411 4.5411 4.6821 4.6821 6.9351 6.9351 7.1802 7.1802 7.6731 7.6731 8.0242 8.0242 8.3259 8.3259 8.3591 8.3591 8.4501 8.4501 8.7203 8.7203 8.9261 8.9261 8.9721 8.9721 9.0189 9.0189 10.6914 10.6914 11.7796 11.7796 12.5302 12.5302 13.1397 13.1397 k = 0.0000 0.1116-0.0000 ( 4316 PWs) bands (ev): -3.1372 -3.1372 -1.0981 -1.0981 -0.1303 -0.1303 0.1851 0.1851 3.9888 3.9888 4.4924 4.4924 4.7013 4.7013 6.8596 6.8596 7.1658 7.1658 7.5941 7.5941 8.0178 8.0178 8.3175 8.3175 8.3600 8.3600 8.4381 8.4381 8.7165 8.7165 8.9287 8.9287 8.9756 8.9756 9.0277 9.0277 10.6462 10.6462 11.7251 11.7251 12.6295 12.6295 13.1929 13.1929 k = 0.0000 0.1015-0.0000 ( 4312 PWs) bands (ev): -3.1673 -3.1673 -1.0384 -1.0384 -0.1432 -0.1432 0.1998 0.1998 4.0384 4.0384 4.3813 4.3813 4.8004 4.8004 6.7817 6.7817 7.1505 7.1505 7.5042 7.5042 8.0124 8.0124 8.3086 8.3086 8.3610 8.3610 8.4300 8.4300 8.7130 8.7130 8.9314 8.9314 8.9787 8.9787 9.0364 9.0364 10.6066 10.6066 11.6745 11.6745 12.7168 12.7168 13.2572 13.2572 k = 0.0000 0.0913-0.0000 ( 4310 PWs) bands (ev): -3.1946 -3.1946 -0.9838 -0.9838 -0.1551 -0.1551 0.2168 0.2168 4.0654 4.0654 4.2943 4.2943 4.9099 4.9099 6.7026 6.7026 7.1325 7.1325 7.4075 7.4075 8.0079 8.0079 8.3002 8.3002 8.3620 8.3620 8.4249 8.4249 8.7097 8.7097 8.9340 8.9340 8.9816 8.9816 9.0449 9.0449 10.5723 10.5723 11.6281 11.6281 12.7875 12.7875 13.3328 13.3328 k = 0.0000 0.0812-0.0000 ( 4308 PWs) bands (ev): -3.2190 -3.2190 -0.9349 -0.9349 -0.1660 -0.1660 0.2359 0.2359 4.0337 4.0337 4.2731 4.2731 5.0235 5.0235 6.6239 6.6239 7.1067 7.1067 7.3114 7.3114 8.0043 8.0043 8.2930 8.2930 8.3631 8.3631 8.4219 8.4219 8.7067 8.7067 8.9367 8.9367 8.9841 8.9841 9.0530 9.0530 10.5429 10.5429 11.5860 11.5860 12.8409 12.8409 13.4138 13.4138 k = 0.0000 0.0710-0.0000 ( 4311 PWs) bands (ev): -3.2406 -3.2406 -0.8919 -0.8919 -0.1758 -0.1758 0.2564 0.2564 3.9558 3.9558 4.3061 4.3061 5.1396 5.1396 6.5472 6.5472 7.0599 7.0599 7.2314 7.2314 8.0012 8.0012 8.2869 8.2869 8.3641 8.3641 8.4200 8.4200 8.7040 8.7040 8.9393 8.9393 8.9863 8.9863 9.0604 9.0604 10.5179 10.5179 11.5484 11.5484 12.8793 12.8793 13.4869 13.4869 k = 0.0000 0.0609-0.0000 ( 4309 PWs) bands (ev): -3.2594 -3.2594 -0.8550 -0.8550 -0.1844 -0.1844 0.2777 0.2777 3.8701 3.8701 4.3552 4.3552 5.2569 5.2569 6.4743 6.4743 6.9782 6.9782 7.1838 7.1838 7.9988 7.9988 8.2821 8.2821 8.3650 8.3650 8.4190 8.4190 8.7016 8.7016 8.9417 8.9417 8.9883 8.9883 9.0671 9.0671 10.4971 10.4971 11.5155 11.5155 12.9066 12.9066 13.5365 13.5365 k = 0.0000 0.0507-0.0000 ( 4315 PWs) bands (ev): -3.2753 -3.2753 -0.8242 -0.8242 -0.1918 -0.1918 0.2987 0.2987 3.7904 3.7904 4.4061 4.4061 5.3740 5.3740 6.4073 6.4073 6.8727 6.8727 7.1600 7.1600 7.9968 7.9968 8.2783 8.2783 8.3658 8.3658 8.4185 8.4185 8.6995 8.6995 8.9438 8.9438 8.9900 8.9900 9.0729 9.0729 10.4800 10.4800 11.4875 11.4875 12.9257 12.9257 13.5614 13.5614 k = 0.0000 0.0406-0.0000 ( 4307 PWs) bands (ev): -3.2883 -3.2883 -0.7994 -0.7994 -0.1980 -0.1980 0.3182 0.3182 3.7216 3.7216 4.4535 4.4535 5.4887 5.4887 6.3487 6.3487 6.7594 6.7594 7.1466 7.1466 7.9953 7.9953 8.2754 8.2754 8.3665 8.3665 8.4182 8.4182 8.6978 8.6978 8.9457 8.9457 8.9914 8.9914 9.0778 9.0778 10.4665 10.4665 11.4644 11.4644 12.9392 12.9392 13.5729 13.5729 k = 0.0000 0.0304-0.0000 ( 4307 PWs) bands (ev): -3.2984 -3.2984 -0.7804 -0.7804 -0.2028 -0.2028 0.3350 0.3350 3.6660 3.6660 4.4940 4.4940 5.5973 5.5973 6.3011 6.3011 6.6478 6.6478 7.1383 7.1383 7.9942 7.9942 8.2733 8.2733 8.3670 8.3670 8.4181 8.4181 8.6965 8.6965 8.9472 8.9472 8.9925 8.9925 9.0817 9.0817 10.4562 10.4562 11.4463 11.4463 12.9483 12.9483 13.5785 13.5785 k = 0.0000 0.0203-0.0000 ( 4307 PWs) bands (ev): -3.3056 -3.3056 -0.7670 -0.7670 -0.2062 -0.2062 0.3479 0.3479 3.6253 3.6253 4.5252 4.5252 5.6928 5.6928 6.2674 6.2674 6.5468 6.5468 7.1330 7.1330 7.9934 7.9934 8.2719 8.2719 8.3674 8.3674 8.4181 8.4181 8.6955 8.6955 8.9483 8.9483 8.9933 8.9933 9.0846 9.0846 10.4490 10.4490 11.4333 11.4333 12.9543 12.9543 13.5813 13.5813 k = 0.0000 0.0101-0.0000 ( 4295 PWs) bands (ev): -3.3100 -3.3100 -0.7591 -0.7591 -0.2083 -0.2083 0.3561 0.3561 3.6004 3.6004 4.5448 4.5448 5.7625 5.7625 6.2496 6.2496 6.4700 6.4700 7.1301 7.1301 7.9929 7.9929 8.2711 8.2711 8.3676 8.3676 8.4182 8.4182 8.6950 8.6950 8.9490 8.9490 8.9938 8.9938 9.0863 9.0863 10.4448 10.4448 11.4255 11.4255 12.9576 12.9576 13.5827 13.5827 k = 0.0000 0.0000 0.0000 ( 4293 PWs) bands (ev): -3.3114 -3.3114 -0.7564 -0.7564 -0.2090 -0.2090 0.3589 0.3589 3.5920 3.5920 4.5515 4.5515 5.7890 5.7890 6.2451 6.2451 6.4395 6.4395 7.1291 7.1291 7.9927 7.9927 8.2709 8.2709 8.3677 8.3677 8.4182 8.4182 8.6948 8.6948 8.9492 8.9492 8.9940 8.9940 9.0869 9.0869 10.4434 10.4434 11.4229 11.4229 12.9587 12.9587 13.5831 13.5831 k = 0.0000 0.0000 0.0000 ( 4293 PWs) bands (ev): -3.3114 -3.3114 -0.7564 -0.7564 -0.2090 -0.2090 0.3589 0.3589 3.5920 3.5920 4.5515 4.5515 5.7890 5.7890 6.2451 6.2451 6.4395 6.4395 7.1291 7.1291 7.9927 7.9927 8.2709 8.2709 8.3677 8.3677 8.4182 8.4182 8.6948 8.6948 8.9492 8.9492 8.9940 8.9940 9.0869 9.0869 10.4434 10.4434 11.4229 11.4229 12.9587 12.9587 13.5831 13.5831 k = 0.0000 0.0000 0.0098 ( 4291 PWs) bands (ev): -3.3101 -3.3101 -0.7687 -0.7687 -0.1986 -0.1986 0.3595 0.3595 3.5933 3.5933 4.5512 4.5512 5.7929 5.7929 6.1919 6.1919 6.4910 6.4910 7.1324 7.1324 7.9931 7.9931 8.2709 8.2709 8.3678 8.3678 8.4182 8.4182 8.6946 8.6946 8.9490 8.9490 8.9936 8.9936 9.0866 9.0866 10.4444 10.4444 11.4250 11.4250 12.9308 12.9308 13.5627 13.5627 k = 0.0000 0.0000 0.0196 ( 4295 PWs) bands (ev): -3.3060 -3.3060 -0.8028 -0.8028 -0.1699 -0.1699 0.3612 0.3612 3.5971 3.5971 4.5504 4.5504 5.8032 5.8032 6.0952 6.0952 6.5828 6.5828 7.1432 7.1432 7.9940 7.9940 8.2709 8.2709 8.3681 8.3681 8.4180 8.4180 8.6939 8.6939 8.9483 8.9483 8.9923 8.9923 9.0858 9.0858 10.4475 10.4475 11.4314 11.4314 12.8518 12.8518 13.5197 13.5197 k = 0.0000 0.0000 0.0293 ( 4295 PWs) bands (ev): -3.2993 -3.2993 -0.8533 -0.8533 -0.1284 -0.1284 0.3640 0.3640 3.6031 3.6031 4.5500 4.5500 5.8106 5.8106 6.0011 6.0011 6.6746 6.6746 7.1639 7.1639 7.9957 7.9957 8.2710 8.2710 8.3686 8.3686 8.4178 8.4178 8.6928 8.6928 8.9473 8.9473 8.9902 8.9902 9.0845 9.0845 10.4529 10.4529 11.4421 11.4421 12.7342 12.7342 13.4733 13.4733 k = 0.0000 0.0000 0.0391 ( 4305 PWs) bands (ev): -3.2900 -3.2900 -0.9149 -0.9149 -0.0793 -0.0793 0.3679 0.3679 3.6106 3.6106 4.5514 4.5514 5.7811 5.7811 5.9503 5.9503 6.7545 6.7545 7.1987 7.1987 7.9979 7.9979 8.2710 8.2710 8.3693 8.3693 8.4173 8.4173 8.6913 8.6913 8.9458 8.9458 8.9872 8.9872 9.0827 9.0827 10.4605 10.4605 11.4569 11.4569 12.5922 12.5922 13.4269 13.4269 k = 0.0000 0.0000 0.0489 ( 4305 PWs) bands (ev): -3.2779 -3.2779 -0.9839 -0.9839 -0.0265 -0.0265 0.3729 0.3729 3.6191 3.6191 4.5560 4.5560 5.6956 5.6956 5.9634 5.9634 6.8158 6.8158 7.2512 7.2512 8.0009 8.0009 8.2707 8.2707 8.3701 8.3701 8.4165 8.4165 8.6899 8.6899 8.9439 8.9439 8.9837 8.9837 9.0805 9.0805 10.4704 10.4704 11.4757 11.4757 12.4371 12.4371 13.3786 13.3786 k = 0.0000 0.0000 0.0587 ( 4319 PWs) bands (ev): -3.2632 -3.2632 -1.0577 -1.0577 0.0277 0.0277 0.3789 0.3789 3.6277 3.6277 4.5656 4.5656 5.5899 5.5899 6.0047 6.0047 6.8566 6.8566 7.3212 7.3212 8.0044 8.0044 8.2700 8.2700 8.3711 8.3711 8.4153 8.4153 8.6887 8.6887 8.9417 8.9417 8.9794 8.9794 9.0779 9.0779 10.4826 10.4826 11.4984 11.4984 12.2772 12.2772 13.3262 13.3262 k = 0.0000 0.0000 0.0685 ( 4327 PWs) bands (ev): -3.2458 -3.2458 -1.1347 -1.1347 0.0815 0.0815 0.3859 0.3859 3.6357 3.6357 4.5816 4.5816 5.4800 5.4800 6.0577 6.0577 6.8802 6.8802 7.4039 7.4039 8.0086 8.0086 8.2686 8.2686 8.3723 8.3723 8.4137 8.4137 8.6882 8.6882 8.9391 8.9391 8.9747 8.9747 9.0749 9.0749 10.4975 10.4975 11.5246 11.5246 12.1181 12.1181 13.2680 13.2680 k = 0.0000 0.0000 0.0783 ( 4325 PWs) bands (ev): -3.2258 -3.2258 -1.2138 -1.2138 0.1341 0.1341 0.3938 0.3938 3.6426 3.6426 4.6052 4.6052 5.3704 5.3704 6.1178 6.1178 6.8914 6.8914 7.4929 7.4929 8.0134 8.0134 8.2660 8.2660 8.3736 8.3736 8.4117 8.4117 8.6891 8.6891 8.9362 8.9362 8.9696 8.9696 9.0715 9.0715 10.5152 10.5152 11.5535 11.5535 11.9648 11.9648 13.2032 13.2032 k = 0.0000 0.0000 0.0880 ( 4329 PWs) bands (ev): -3.2032 -3.2032 -1.2943 -1.2943 0.1846 0.1846 0.4026 0.4026 3.6479 3.6479 4.6369 4.6369 5.2631 5.2631 6.1826 6.1826 6.8936 6.8936 7.5824 7.5824 8.0189 8.0189 8.2614 8.2614 8.3751 8.3751 8.4091 8.4091 8.6921 8.6921 8.9331 8.9331 8.9642 8.9642 9.0679 9.0679 10.5357 10.5357 11.5823 11.5823 11.8231 11.8231 13.1312 13.1312 k = 0.0000 0.0000 0.0978 ( 4339 PWs) bands (ev): -3.1779 -3.1779 -1.3755 -1.3755 0.2326 0.2326 0.4121 0.4121 3.6516 3.6516 4.6761 4.6761 5.1599 5.1599 6.2510 6.2510 6.8895 6.8895 7.6682 7.6682 8.0248 8.0248 8.2537 8.2537 8.3767 8.3767 8.4064 8.4064 8.6981 8.6981 8.9297 8.9297 8.9586 8.9586 9.0640 9.0640 10.5595 10.5595 11.5936 11.5936 11.7133 11.7133 13.0517 13.0517 k = 0.0000 0.0000 0.1076 ( 4327 PWs) bands (ev): -3.1500 -3.1500 -1.4570 -1.4570 0.2777 0.2777 0.4223 0.4223 3.6541 3.6541 4.7195 4.7195 5.0648 5.0648 6.3218 6.3218 6.8802 6.8802 7.7468 7.7468 8.0314 8.0314 8.2418 8.2418 8.3784 8.3784 8.4040 8.4040 8.7080 8.7080 8.9262 8.9262 8.9531 8.9531 9.0602 9.0602 10.5866 10.5866 11.5259 11.5259 11.6995 11.6995 12.9649 12.9649 k = 0.0000 0.0000 0.1174 ( 4323 PWs) bands (ev): -3.1195 -3.1195 -1.5384 -1.5384 0.3196 0.3196 0.4330 0.4330 3.6560 3.6560 4.7554 4.7554 4.9894 4.9894 6.3940 6.3940 6.8663 6.8663 7.8153 7.8153 8.0384 8.0384 8.2246 8.2246 8.3804 8.3804 8.4022 8.4022 8.7224 8.7224 8.9227 8.9227 8.9478 8.9478 9.0561 9.0561 10.6173 10.6173 11.4281 11.4281 11.7349 11.7349 12.8710 12.8710 k = 0.0000 0.0000 0.1272 ( 4323 PWs) bands (ev): -3.0864 -3.0864 -1.6195 -1.6195 0.3582 0.3582 0.4442 0.4442 3.6578 3.6578 4.7496 4.7496 4.9676 4.9676 6.4669 6.4669 6.8484 6.8484 7.8710 7.8710 8.0459 8.0459 8.2020 8.2020 8.3826 8.3826 8.4015 8.4015 8.7412 8.7412 8.9190 8.9190 8.9430 8.9430 9.0521 9.0521 10.6518 10.6518 11.3416 11.3416 11.7805 11.7805 12.7706 12.7706 k = 0.0000 0.0000 0.1370 ( 4327 PWs) bands (ev): -3.0508 -3.0508 -1.7000 -1.7000 0.3933 0.3933 0.4558 0.4558 3.6605 3.6605 4.6897 4.6897 5.0114 5.0114 6.5394 6.5394 6.8266 6.8266 7.9111 7.9111 8.0538 8.0538 8.1757 8.1757 8.3851 8.3851 8.4018 8.4018 8.7635 8.7635 8.9153 8.9153 8.9390 8.9390 9.0481 9.0481 10.6903 10.6903 11.2736 11.2736 11.8310 11.8310 12.6646 12.6646 k = 0.0000 0.0000 0.1467 ( 4326 PWs) bands (ev): -3.0126 -3.0126 -1.7797 -1.7797 0.4247 0.4247 0.4675 0.4675 3.6647 3.6647 4.6096 4.6096 5.0861 5.0861 6.6096 6.6096 6.8022 6.8022 7.9312 7.9312 8.0620 8.0620 8.1502 8.1502 8.3878 8.3878 8.4030 8.4030 8.7878 8.7878 8.9115 8.9115 8.9363 8.9363 9.0441 9.0441 10.7329 10.7329 11.2267 11.2267 11.8851 11.8851 12.5540 12.5540 k = 0.0000 0.0000 0.1565 ( 4326 PWs) bands (ev): -2.9720 -2.9720 -1.8583 -1.8583 0.4526 0.4526 0.4792 0.4792 3.6713 3.6713 4.5256 4.5256 5.1746 5.1746 6.6702 6.6702 6.7815 6.7815 7.9260 7.9260 8.0704 8.0704 8.1327 8.1327 8.3906 8.3906 8.4046 8.4046 8.8116 8.8116 8.9077 8.9077 8.9356 8.9356 9.0404 9.0404 10.7798 10.7798 11.2024 11.2024 11.9424 11.9424 12.4400 12.4400 k = 0.0000 0.0000 0.1663 ( 4332 PWs) bands (ev): -2.9288 -2.9288 -1.9358 -1.9358 0.4769 0.4769 0.4908 0.4908 3.6809 3.6809 4.4425 4.4425 5.2714 5.2714 6.6885 6.6885 6.7966 6.7966 7.8945 7.8945 8.0788 8.0788 8.1266 8.1266 8.3934 8.3934 8.4064 8.4064 8.8326 8.8326 8.9039 8.9039 8.9377 8.9377 9.0367 9.0367 10.8310 10.8310 11.2013 11.2013 12.0022 12.0022 12.3239 12.3239 k = 0.0000 0.0000 0.1761 ( 4330 PWs) bands (ev): -2.8832 -2.8832 -2.0120 -2.0120 0.4976 0.4976 0.5020 0.5020 3.6940 3.6940 4.3620 4.3620 5.3740 5.3740 6.6571 6.6571 6.8540 6.8540 7.8432 7.8432 8.0871 8.0871 8.1279 8.1279 8.3962 8.3962 8.4081 8.4081 8.8487 8.8487 8.9000 8.9000 8.9432 8.9432 9.0330 9.0330 10.8869 10.8869 11.2227 11.2227 12.0635 12.0635 12.2075 12.2075 k = 0.0000 0.0000 0.1859 ( 4334 PWs) bands (ev): -2.8352 -2.8352 -2.0867 -2.0867 0.5127 0.5127 0.5148 0.5148 3.7110 3.7110 4.2848 4.2848 5.4807 5.4807 6.6081 6.6081 6.9212 6.9212 7.7799 7.7799 8.0952 8.0952 8.1317 8.1317 8.3988 8.3988 8.4096 8.4096 8.8595 8.8595 8.8962 8.8962 8.9517 8.9517 9.0295 9.0295 10.9477 10.9477 11.2652 11.2652 12.0816 12.0816 12.1360 12.1360 k = 0.0000 0.0000 0.1956 ( 4338 PWs) bands (ev): -2.7847 -2.7847 -2.1598 -2.1598 0.5226 0.5226 0.5286 0.5286 3.7324 3.7324 4.2115 4.2115 5.5900 5.5900 6.5489 6.5489 6.9902 6.9902 7.7099 7.7099 8.1031 8.1031 8.1354 8.1354 8.4014 8.4014 8.4108 8.4108 8.8661 8.8661 8.8926 8.8926 8.9619 8.9619 9.0258 9.0258 11.0138 11.0138 11.3267 11.3267 11.9700 11.9700 12.1948 12.1948 k = 0.0000 0.0000 0.2054 ( 4338 PWs) bands (ev): -2.7320 -2.7320 -2.2312 -2.2312 0.5316 0.5316 0.5392 0.5392 3.7584 3.7584 4.1423 4.1423 5.7007 5.7007 6.4809 6.4809 7.0595 7.0595 7.6364 7.6364 8.1106 8.1106 8.1379 8.1379 8.4037 8.4037 8.4116 8.4116 8.8700 8.8700 8.8891 8.8891 8.9721 8.9721 9.0220 9.0220 11.0856 11.0856 11.4046 11.4046 11.8562 11.8562 12.2450 12.2450 k = 0.0000 0.0000 0.2152 ( 4330 PWs) bands (ev): -2.6769 -2.6769 -2.3009 -2.3009 0.5393 0.5393 0.5467 0.5467 3.7891 3.7891 4.0775 4.0775 5.8115 5.8115 6.4046 6.4046 7.1291 7.1291 7.5616 7.5616 8.1175 8.1175 8.1389 8.1389 8.4058 8.4058 8.4120 8.4120 8.8726 8.8726 8.8860 8.8860 8.9816 8.9816 9.0180 9.0180 11.1632 11.1632 11.4959 11.4959 11.7453 11.7453 12.2031 12.2031 k = 0.0000 0.0000 0.2250 ( 4326 PWs) bands (ev): -2.6195 -2.6195 -2.3687 -2.3687 0.5456 0.5456 0.5514 0.5514 3.8249 3.8249 4.0173 4.0173 5.9211 5.9211 6.3204 6.3204 7.1988 7.1988 7.4869 7.4869 8.1237 8.1237 8.1384 8.1384 8.4078 8.4078 8.4119 8.4119 8.8746 8.8746 8.8832 8.8832 8.9900 8.9900 9.0137 9.0137 11.2466 11.2466 11.5912 11.5912 11.6454 11.6454 12.0854 12.0854 k = 0.0000 0.0000 0.2348 ( 4326 PWs) bands (ev): -2.5600 -2.5600 -2.4345 -2.4345 0.5502 0.5502 0.5533 0.5533 3.8655 3.8655 3.9618 3.9618 6.0280 6.0280 6.2289 6.2289 7.2692 7.2692 7.4132 7.4132 8.1291 8.1291 8.1365 8.1365 8.4093 8.4093 8.4114 8.4114 8.8765 8.8765 8.8807 8.8807 8.9972 8.9972 9.0089 9.0089 11.3357 11.3357 11.5284 11.5284 11.7166 11.7166 11.9593 11.9593 k = 0.0000 0.0000 0.2446 ( 4326 PWs) bands (ev): -2.4983 -2.4983 -2.4983 -2.4983 0.5529 0.5529 0.5529 0.5529 3.9112 3.9112 3.9112 3.9112 6.1310 6.1310 6.1310 6.1310 7.3406 7.3406 7.3406 7.3406 8.1334 8.1334 8.1334 8.1334 8.4106 8.4106 8.4106 8.4106 8.8785 8.8785 8.8785 8.8785 9.0034 9.0034 9.0034 9.0034 11.4300 11.4300 11.4300 11.4300 11.8351 11.8351 11.8351 11.8351 k = 0.0000 0.0000 0.2446 ( 4326 PWs) bands (ev): -2.4983 -2.4983 -2.4983 -2.4983 0.5529 0.5529 0.5529 0.5529 3.9112 3.9112 3.9112 3.9112 6.1310 6.1310 6.1310 6.1310 7.3406 7.3406 7.3406 7.3406 8.1334 8.1334 8.1334 8.1334 8.4106 8.4106 8.4106 8.4106 8.8785 8.8785 8.8785 8.8785 9.0034 9.0034 9.0034 9.0034 11.4300 11.4300 11.4300 11.4300 11.8351 11.8351 11.8351 11.8351 k = 0.0100-0.0000 0.2446 ( 4326 PWs) bands (ev): -2.4969 -2.4969 -2.4968 -2.4968 0.5540 0.5540 0.5541 0.5541 3.9125 3.9125 3.9127 3.9127 6.1322 6.1322 6.1323 6.1323 7.3404 7.3404 7.3407 7.3407 8.1310 8.1310 8.1356 8.1356 8.4096 8.4096 8.4108 8.4108 8.8668 8.8668 8.8848 8.8848 8.9976 8.9976 9.0125 9.0125 11.4279 11.4279 11.4308 11.4308 11.8283 11.8283 11.8427 11.8427 k = 0.0200-0.0000 0.2446 ( 4330 PWs) bands (ev): -2.4926 -2.4926 -2.4925 -2.4925 0.5575 0.5575 0.5577 0.5577 3.9165 3.9165 3.9169 3.9169 6.1357 6.1357 6.1361 6.1361 7.3400 7.3400 7.3406 7.3406 8.1283 8.1283 8.1375 8.1375 8.4078 8.4078 8.4103 8.4103 8.8513 8.8513 8.8842 8.8842 8.9965 8.9965 9.0234 9.0234 11.4243 11.4243 11.4305 11.4305 11.8215 11.8215 11.8513 11.8513 k = 0.0300-0.0000 0.2446 ( 4330 PWs) bands (ev): -2.4854 -2.4854 -2.4853 -2.4853 0.5634 0.5634 0.5637 0.5637 3.9233 3.9233 3.9239 3.9239 6.1416 6.1416 6.1421 6.1421 7.3395 7.3395 7.3403 7.3403 8.1253 8.1253 8.1393 8.1393 8.4051 8.4051 8.4092 8.4092 8.8330 8.8330 8.8767 8.8767 9.0003 9.0003 9.0350 9.0350 11.4184 11.4184 11.4286 11.4286 11.8139 11.8139 11.8612 11.8612 k = 0.0400-0.0000 0.2446 ( 4338 PWs) bands (ev): -2.4754 -2.4754 -2.4752 -2.4752 0.5716 0.5716 0.5720 0.5720 3.9329 3.9329 3.9337 3.9337 6.1499 6.1499 6.1506 6.1506 7.3388 7.3388 7.3398 7.3398 8.1216 8.1216 8.1408 8.1408 8.4012 8.4012 8.4075 8.4075 8.8126 8.8126 8.8634 8.8634 9.0076 9.0076 9.0466 9.0466 11.4089 11.4089 11.4243 11.4243 11.8044 11.8044 11.8727 11.8727 k = 0.0500-0.0000 0.2446 ( 4342 PWs) bands (ev): -2.4625 -2.4625 -2.4623 -2.4623 0.5821 0.5821 0.5827 0.5827 3.9451 3.9451 3.9462 3.9462 6.1605 6.1605 6.1614 6.1614 7.3380 7.3380 7.3392 7.3392 8.1172 8.1172 8.1419 8.1419 8.3963 8.3963 8.4052 8.4052 8.7903 8.7903 8.8459 8.8459 9.0170 9.0170 9.0581 9.0581 11.3933 11.3933 11.4161 11.4161 11.7916 11.7916 11.8856 11.8856 k = 0.0600-0.0000 0.2446 ( 4334 PWs) bands (ev): -2.4468 -2.4468 -2.4465 -2.4465 0.5950 0.5950 0.5957 0.5957 3.9601 3.9601 3.9615 3.9615 6.1735 6.1735 6.1745 6.1745 7.3370 7.3370 7.3383 7.3383 8.1116 8.1116 8.1423 8.1423 8.3900 8.3900 8.4024 8.4024 8.7666 8.7666 8.8254 8.8254 9.0273 9.0273 9.0691 9.0691 11.3683 11.3683 11.4015 11.4015 11.7746 11.7746 11.8995 11.8995 k = 0.0700-0.0000 0.2446 ( 4330 PWs) bands (ev): -2.4282 -2.4282 -2.4278 -2.4278 0.6102 0.6102 0.6110 0.6110 3.9778 3.9778 3.9794 3.9794 6.1887 6.1887 6.1899 6.1899 7.3358 7.3358 7.3373 7.3373 8.1045 8.1045 8.1417 8.1417 8.3823 8.3823 8.3991 8.3991 8.7416 8.7416 8.8023 8.8023 9.0379 9.0379 9.0796 9.0796 11.3289 11.3289 11.3761 11.3761 11.7539 11.7539 11.9116 11.9116 k = 0.0800-0.0000 0.2446 ( 4332 PWs) bands (ev): -2.4068 -2.4068 -2.4063 -2.4063 0.6277 0.6277 0.6286 0.6286 3.9981 3.9981 4.0001 4.0001 6.2062 6.2062 6.2075 6.2075 7.3344 7.3344 7.3359 7.3359 8.0952 8.0952 8.1395 8.1395 8.3728 8.3728 8.3952 8.3952 8.7155 8.7155 8.7771 8.7771 9.0483 9.0483 9.0893 9.0893 11.2704 11.2704 11.3337 11.3337 11.7327 11.7327 11.8986 11.8986 k = 0.0900-0.0000 0.2446 ( 4328 PWs) bands (ev): -2.3825 -2.3825 -2.3820 -2.3820 0.6474 0.6474 0.6485 0.6485 4.0210 4.0210 4.0234 4.0234 6.2259 6.2259 6.2272 6.2272 7.3329 7.3329 7.3344 7.3344 8.0833 8.0833 8.1349 8.1349 8.3617 8.3617 8.3910 8.3910 8.6888 8.6888 8.7501 8.7501 9.0582 9.0582 9.0984 9.0984 11.1906 11.1906 11.2681 11.2681 11.7150 11.7150 11.8380 11.8380 k = 0.1000-0.0000 0.2446 ( 4332 PWs) bands (ev): -2.3554 -2.3554 -2.3548 -2.3548 0.6694 0.6694 0.6706 0.6706 4.0466 4.0466 4.0494 4.0494 6.2477 6.2477 6.2489 6.2489 7.3311 7.3311 7.3325 7.3325 8.0676 8.0676 8.1266 8.1266 8.3492 8.3492 8.3863 8.3863 8.6617 8.6617 8.7216 8.7216 9.0676 9.0676 9.1066 9.1066 11.0914 11.0914 11.1772 11.1772 11.7038 11.7038 11.7870 11.7870 k = 0.1100-0.0000 0.2446 ( 4332 PWs) bands (ev): -2.3254 -2.3254 -2.3248 -2.3248 0.6937 0.6937 0.6950 0.6950 4.0747 4.0747 4.0780 4.0780 6.2714 6.2714 6.2725 6.2725 7.3291 7.3291 7.3303 7.3303 8.0473 8.0473 8.1126 8.1126 8.3359 8.3359 8.3814 8.3814 8.6348 8.6348 8.6919 8.6919 9.0764 9.0764 9.1141 9.1141 10.9783 10.9783 11.0660 11.0660 11.6993 11.6993 11.7562 11.7562 k = 0.1200-0.0000 0.2446 ( 4332 PWs) bands (ev): -2.2927 -2.2927 -2.2920 -2.2920 0.7201 0.7201 0.7215 0.7215 4.1053 4.1053 4.1091 4.1091 6.2970 6.2970 6.2980 6.2980 7.3268 7.3268 7.3278 7.3278 8.0210 8.0210 8.0908 8.0908 8.3228 8.3228 8.3764 8.3764 8.6086 8.6086 8.6615 8.6615 9.0844 9.0844 9.1206 9.1206 10.8570 10.8570 10.9424 10.9424 11.7006 11.7006 11.7412 11.7412 k = 0.1300-0.0000 0.2446 ( 4326 PWs) bands (ev): -2.2571 -2.2571 -2.2563 -2.2563 0.7486 0.7486 0.7503 0.7503 4.1383 4.1383 4.1428 4.1428 6.3243 6.3243 6.3250 6.3250 7.3243 7.3243 7.3250 7.3250 7.9875 7.9875 8.0588 8.0588 8.3114 8.3114 8.3714 8.3714 8.5836 8.5836 8.6307 8.6307 9.0916 9.0916 9.1263 9.1263 10.7329 10.7329 10.8139 10.8139 11.7062 11.7062 11.7370 11.7370 k = 0.1400-0.0000 0.2446 ( 4326 PWs) bands (ev): -2.2188 -2.2188 -2.2179 -2.2179 0.7793 0.7793 0.7811 0.7811 4.1738 4.1738 4.1790 4.1790 6.3531 6.3531 6.3534 6.3534 7.3214 7.3214 7.3217 7.3217 7.9456 7.9456 8.0147 8.0147 8.3024 8.3024 8.3665 8.3665 8.5598 8.5598 8.6002 8.6002 9.0980 9.0980 9.1310 9.1310 10.6099 10.6099 10.6858 10.6858 11.7152 11.7152 11.7399 11.7399 k = 0.1500-0.0000 0.2446 ( 4326 PWs) bands (ev): -2.1776 -2.1776 -2.1767 -2.1767 0.8120 0.8120 0.8140 0.8140 4.2115 4.2115 4.2177 4.2177 6.3828 6.3828 6.3831 6.3831 7.3181 7.3181 7.3182 7.3182 7.8940 7.8940 7.9579 7.9579 8.2960 8.2960 8.3618 8.3618 8.5374 8.5374 8.5703 8.5703 9.1034 9.1034 9.1346 9.1346 10.4912 10.4912 10.5619 10.5619 11.7266 11.7266 11.7475 11.7475 k = 0.1600-0.0000 0.2446 ( 4322 PWs) bands (ev): -2.1338 -2.1338 -2.1328 -2.1328 0.8467 0.8467 0.8488 0.8488 4.2514 4.2514 4.2587 4.2587 6.4129 6.4129 6.4140 6.4140 7.3140 7.3140 7.3145 7.3145 7.8323 7.8323 7.8889 7.8889 8.2919 8.2919 8.3573 8.3573 8.5161 8.5161 8.5416 8.5416 9.1079 9.1079 9.1373 9.1373 10.3790 10.3790 10.4445 10.4445 11.7394 11.7394 11.7582 11.7582 k = 0.1700-0.0000 0.2446 ( 4326 PWs) bands (ev): -2.0872 -2.0872 -2.0862 -2.0862 0.8833 0.8833 0.8856 0.8856 4.2935 4.2935 4.3020 4.3020 6.4431 6.4431 6.4452 6.4452 7.3094 7.3094 7.3101 7.3101 7.7605 7.7605 7.8089 7.8089 8.2892 8.2892 8.3527 8.3527 8.4956 8.4956 8.5144 8.5144 9.1114 9.1114 9.1388 9.1388 10.2748 10.2748 10.3354 10.3354 11.7530 11.7530 11.7708 11.7708 k = 0.1800-0.0000 0.2446 ( 4322 PWs) bands (ev): -2.0379 -2.0379 -2.0368 -2.0368 0.9218 0.9218 0.9243 0.9243 4.3375 4.3375 4.3475 4.3475 6.4724 6.4724 6.4760 6.4760 7.3042 7.3042 7.3049 7.3049 7.6793 7.6793 7.7200 7.7200 8.2872 8.2872 8.3477 8.3477 8.4759 8.4759 8.4887 8.4887 9.1138 9.1138 9.1393 9.1393 10.1797 10.1797 10.2355 10.2355 11.7663 11.7663 11.7841 11.7841 k = 0.1900-0.0000 0.2446 ( 4314 PWs) bands (ev): -1.9859 -1.9859 -1.9847 -1.9847 0.9620 0.9620 0.9647 0.9647 4.3833 4.3833 4.3951 4.3951 6.4996 6.4996 6.5052 6.5052 7.2982 7.2982 7.2984 7.2984 7.5906 7.5906 7.6251 7.6251 8.2849 8.2849 8.3417 8.3417 8.4566 8.4566 8.4648 8.4648 9.1152 9.1152 9.1386 9.1386 10.0942 10.0942 10.1454 10.1454 11.7776 11.7776 11.7966 11.7966 k = 0.2000-0.0000 0.2446 ( 4318 PWs) bands (ev): -1.9313 -1.9313 -1.9300 -1.9300 1.0038 1.0038 1.0068 1.0068 4.4308 4.4308 4.4448 4.4448 6.5226 6.5226 6.5312 6.5312 7.2884 7.2884 7.2914 7.2914 7.4973 7.4973 7.5289 7.5289 8.2812 8.2812 8.3335 8.3335 8.4380 8.4380 8.4433 8.4433 9.1154 9.1154 9.1367 9.1367 10.0181 10.0181 10.0649 10.0649 11.7833 11.7833 11.8056 11.8056 k = 0.2100-0.0000 0.2446 ( 4318 PWs) bands (ev): -1.8740 -1.8740 -1.8727 -1.8727 1.0472 1.0472 1.0505 1.0505 4.4796 4.4796 4.4963 4.4963 6.5385 6.5385 6.5512 6.5512 7.2716 7.2716 7.2819 7.2819 7.4048 7.4048 7.4398 7.4398 8.2750 8.2750 8.3216 8.3216 8.4206 8.4206 8.4250 8.4250 9.1145 9.1145 9.1336 9.1336 9.9512 9.9512 9.9938 9.9938 11.7746 11.7746 11.8045 11.8045 k = 0.2200-0.0000 0.2446 ( 4318 PWs) bands (ev): -1.8142 -1.8142 -1.8128 -1.8128 1.0920 1.0920 1.0956 1.0956 4.5295 4.5295 4.5495 4.5495 6.5421 6.5421 6.5610 6.5610 7.2387 7.2387 7.2619 7.2619 7.3268 7.3268 7.3730 7.3730 8.2648 8.2648 8.3046 8.3046 8.4052 8.4052 8.4107 8.4107 9.1124 9.1124 9.1293 9.1293 9.8929 9.8929 9.9314 9.9314 11.7291 11.7291 11.7741 11.7741 k = 0.2300-0.0000 0.2446 ( 4320 PWs) bands (ev): -1.7518 -1.7518 -1.7503 -1.7503 1.1380 1.1380 1.1419 1.1419 4.5801 4.5801 4.6041 4.6041 6.5269 6.5269 6.5544 6.5544 7.1884 7.1884 7.2107 7.2107 7.2916 7.2916 7.3378 7.3378 8.2489 8.2489 8.2819 8.2819 8.3929 8.3929 8.4006 8.4006 9.1092 9.1092 9.1240 9.1240 9.8424 9.8424 9.8771 9.8771 11.6305 11.6305 11.6851 11.6851 k = 0.2400-0.0000 0.2446 ( 4316 PWs) bands (ev): -1.6870 -1.6870 -1.6854 -1.6854 1.1851 1.1851 1.1894 1.1894 4.6309 4.6309 4.6600 4.6600 6.4860 6.4860 6.5248 6.5248 7.1415 7.1415 7.1563 7.1563 7.2792 7.2792 7.3213 7.3213 8.2269 8.2269 8.2538 8.2538 8.3841 8.3841 8.3938 8.3938 9.1048 9.1048 9.1174 9.1174 9.7991 9.7991 9.8300 9.8300 11.5013 11.5013 11.5545 11.5545 k = 0.2500-0.0000 0.2446 ( 4300 PWs) bands (ev): -1.6197 -1.6197 -1.6180 -1.6180 1.2330 1.2330 1.2377 1.2377 4.6812 4.6812 4.7168 4.7168 6.4167 6.4167 6.4687 6.4687 7.1131 7.1131 7.1220 7.1220 7.2716 7.2716 7.3123 7.3123 8.1987 8.1987 8.2211 8.2211 8.3785 8.3785 8.3893 8.3893 9.0991 9.0991 9.1098 9.1098 9.7621 9.7621 9.7894 9.7894 11.3640 11.3640 11.4135 11.4135 k = 0.2600-0.0000 0.2446 ( 4292 PWs) bands (ev): -1.5500 -1.5500 -1.5483 -1.5483 1.2816 1.2816 1.2867 1.2867 4.7300 4.7300 4.7738 4.7738 6.3231 6.3231 6.3894 6.3894 7.1041 7.1041 7.1084 7.1084 7.2665 7.2665 7.3067 7.3067 8.1649 8.1649 8.1843 8.1843 8.3752 8.3752 8.3861 8.3861 9.0921 9.0921 9.1009 9.1009 9.7307 9.7307 9.7546 9.7546 11.2278 11.2278 11.2740 11.2740 k = 0.2700-0.0000 0.2446 ( 4286 PWs) bands (ev): -1.4781 -1.4781 -1.4762 -1.4762 1.3305 1.3305 1.3362 1.3362 4.7762 4.7762 4.8305 4.8305 6.2129 6.2129 6.2948 6.2948 7.1082 7.1082 7.1089 7.1089 7.2648 7.2648 7.3034 7.3034 8.1268 8.1268 8.1442 8.1442 8.3735 8.3735 8.3837 8.3837 9.0839 9.0839 9.0911 9.0911 9.7039 9.7039 9.7246 9.7246 11.0966 11.0966 11.1401 11.1401 k = 0.2800-0.0000 0.2446 ( 4284 PWs) bands (ev): -1.4039 -1.4039 -1.4019 -1.4019 1.3795 1.3795 1.3857 1.3857 4.8178 4.8178 4.8857 4.8857 6.0940 6.0940 6.1937 6.1937 7.1127 7.1127 7.1210 7.1210 7.2686 7.2686 7.3020 7.3020 8.0856 8.0856 8.1015 8.1015 8.3729 8.3729 8.3817 8.3817 9.0744 9.0744 9.0801 9.0801 9.6812 9.6812 9.6988 9.6988 10.9723 10.9723 11.0136 11.0136 k = 0.2900-0.0000 0.2446 ( 4280 PWs) bands (ev): -1.3276 -1.3276 -1.3255 -1.3255 1.4282 1.4282 1.4350 1.4350 4.8523 4.8523 4.9377 4.9377 5.9731 5.9731 6.0940 6.0940 7.1146 7.1146 7.1350 7.1350 7.2795 7.2795 7.3025 7.3025 8.0429 8.0429 8.0571 8.0571 8.3728 8.3728 8.3799 8.3799 9.0636 9.0636 9.0681 9.0681 9.6620 9.6620 9.6767 9.6767 10.8558 10.8558 10.8954 10.8954 k = 0.3000-0.0000 0.2446 ( 4276 PWs) bands (ev): -1.2493 -1.2493 -1.2471 -1.2471 1.4762 1.4762 1.4837 1.4837 4.8764 4.8764 4.9835 4.9835 5.8565 5.8565 6.0026 6.0026 7.1098 7.1098 7.1467 7.1467 7.2975 7.2975 7.3042 7.3042 8.0006 8.0006 8.0124 8.0124 8.3730 8.3730 8.3782 8.3782 9.0516 9.0516 9.0550 9.0550 9.6457 9.6457 9.6577 9.6577 10.7478 10.7478 10.7860 10.7860 k = 0.3100-0.0000 0.2446 ( 4280 PWs) bands (ev): -1.1691 -1.1691 -1.1667 -1.1667 1.5230 1.5230 1.5313 1.5313 4.8860 4.8860 5.0180 5.0180 5.7516 5.7516 5.9263 5.9263 7.0976 7.0976 7.1537 7.1537 7.3055 7.3055 7.3196 7.3196 7.9616 7.9616 7.9694 7.9694 8.3734 8.3734 8.3764 8.3764 9.0383 9.0383 9.0409 9.0409 9.6319 9.6319 9.6414 9.6414 10.6484 10.6484 10.6855 10.6855 k = 0.3200-0.0000 0.2446 ( 4280 PWs) bands (ev): -1.0872 -1.0872 -1.0847 -1.0847 1.5682 1.5682 1.5772 1.5772 4.8772 4.8772 5.0334 5.0334 5.6682 5.6682 5.8706 5.8706 7.0784 7.0784 7.1547 7.1547 7.3036 7.3036 7.3415 7.3415 7.9292 7.9292 7.9307 7.9307 8.3740 8.3740 8.3747 8.3747 9.0238 9.0238 9.0259 9.0259 9.6202 9.6202 9.6272 9.6272 10.5578 10.5578 10.5939 10.5939 k = 0.3300-0.0000 0.2446 ( 4282 PWs) bands (ev): -1.0037 -1.0037 -1.0010 -1.0010 1.6110 1.6110 1.6210 1.6210 4.8480 4.8480 5.0203 5.0203 5.6168 5.6168 5.8391 5.8391 7.0528 7.0528 7.1488 7.1488 7.2955 7.2955 7.3589 7.3589 7.8998 7.8998 7.9067 7.9067 8.3729 8.3729 8.3746 8.3746 9.0082 9.0082 9.0100 9.0100 9.6102 9.6102 9.6150 9.6150 10.4758 10.4758 10.5110 10.5110 k = 0.3400-0.0000 0.2446 ( 4274 PWs) bands (ev): -0.9188 -0.9188 -0.9160 -0.9160 1.6510 1.6510 1.6620 1.6620 4.7996 4.7996 4.9753 4.9753 5.6019 5.6019 5.8318 5.8318 7.0209 7.0209 7.1347 7.1347 7.2802 7.2802 7.3681 7.3681 7.8799 7.8799 7.8964 7.8964 8.3711 8.3711 8.3753 8.3753 8.9915 8.9915 8.9934 8.9934 9.6016 9.6016 9.6042 9.6042 10.4021 10.4021 10.4365 10.4365 k = 0.3500-0.0000 0.2446 ( 4266 PWs) bands (ev): -0.8328 -0.8328 -0.8298 -0.8298 1.6873 1.6873 1.6994 1.6994 4.7363 4.7363 4.9053 4.9053 5.6175 5.6175 5.8455 5.8455 6.9824 6.9824 7.1098 7.1098 7.2600 7.2600 7.3672 7.3672 7.8733 7.8733 7.8985 7.8985 8.3694 8.3694 8.3762 8.3762 8.9741 8.9741 8.9763 8.9763 9.5941 9.5941 9.5947 9.5947 10.3361 10.3361 10.3699 10.3699 k = 0.3600-0.0000 0.2446 ( 4278 PWs) bands (ev): -0.7459 -0.7459 -0.7427 -0.7427 1.7192 1.7192 1.7324 1.7324 4.6636 4.6636 4.8219 4.8219 5.6530 5.6530 5.8754 5.8754 6.9373 6.9373 7.0718 7.0718 7.2395 7.2395 7.3562 7.3562 7.8798 7.8798 7.9112 7.9112 8.3678 8.3678 8.3772 8.3772 8.9559 8.9559 8.9588 8.9588 9.5860 9.5860 9.5873 9.5873 10.2774 10.2774 10.3106 10.3106 k = 0.3700-0.0000 0.2446 ( 4274 PWs) bands (ev): -0.6586 -0.6586 -0.6551 -0.6551 1.7461 1.7461 1.7605 1.7605 4.5867 4.5867 4.7341 4.7341 5.6997 5.6997 5.9172 5.9172 6.8861 6.8861 7.0207 7.0207 7.2216 7.2216 7.3375 7.3375 7.8972 7.8972 7.9317 7.9317 8.3665 8.3665 8.3786 8.3786 8.9375 8.9375 8.9415 8.9415 9.5782 9.5782 9.5814 9.5814 10.2256 10.2256 10.2582 10.2582 k = 0.3800-0.0000 0.2446 ( 4284 PWs) bands (ev): -0.5711 -0.5711 -0.5674 -0.5674 1.7670 1.7670 1.7827 1.7827 4.5099 4.5099 4.6479 4.6479 5.7521 5.7521 5.9670 5.9670 6.8296 6.8296 6.9598 6.9598 7.2067 7.2067 7.3138 7.3138 7.9220 7.9220 7.9569 7.9569 8.3655 8.3655 8.3804 8.3804 8.9190 8.9190 8.9245 8.9245 9.5708 9.5708 9.5758 9.5758 10.1798 10.1798 10.2121 10.2121 k = 0.3900-0.0000 0.2446 ( 4282 PWs) bands (ev): -0.4840 -0.4840 -0.4801 -0.4801 1.7816 1.7816 1.7985 1.7985 4.4366 4.4366 4.5669 4.5669 5.8070 5.8070 6.0221 6.0221 6.7694 6.7694 6.8930 6.8930 7.1939 7.1939 7.2874 7.2874 7.9509 7.9509 7.9841 7.9841 8.3651 8.3651 8.3828 8.3828 8.9009 8.9009 8.9086 8.9086 9.5637 9.5637 9.5706 9.5706 10.1398 10.1398 10.1716 10.1716 k = 0.4000-0.0000 0.2446 ( 4290 PWs) bands (ev): -0.3979 -0.3979 -0.3936 -0.3936 1.7892 1.7892 1.8073 1.8073 4.3691 4.3691 4.4933 4.4933 5.8617 5.8617 6.0798 6.0798 6.7073 6.7073 6.8241 6.8241 7.1822 7.1822 7.2597 7.2597 7.9811 7.9811 8.0112 8.0112 8.3656 8.3656 8.3857 8.3857 8.8836 8.8836 8.8941 8.8941 9.5568 9.5568 9.5655 9.5655 10.1047 10.1047 10.1363 10.1363 k = 0.4100-0.0000 0.2446 ( 4286 PWs) bands (ev): -0.3135 -0.3135 -0.3088 -0.3088 1.7899 1.7899 1.8091 1.8091 4.3091 4.3091 4.4285 4.4285 5.9145 5.9145 6.1381 6.1381 6.6457 6.6457 6.7563 6.7563 7.1712 7.1712 7.2314 7.2314 8.0103 8.0103 8.0364 8.0364 8.3671 8.3671 8.3893 8.3893 8.8677 8.8677 8.8817 8.8817 9.5501 9.5501 9.5604 9.5604 10.0744 10.0744 10.1058 10.1058 k = 0.4200-0.0000 0.2446 ( 4278 PWs) bands (ev): -0.2316 -0.2316 -0.2266 -0.2266 1.7837 1.7837 1.8041 1.8041 4.2573 4.2573 4.3730 4.3730 5.9634 5.9634 6.1942 6.1942 6.5879 6.5879 6.6924 6.6924 7.1606 7.1606 7.2026 7.2026 8.0371 8.0371 8.0586 8.0586 8.3698 8.3698 8.3934 8.3934 8.8536 8.8536 8.8718 8.8718 9.5433 9.5433 9.5554 9.5554 10.0482 10.0482 10.0795 10.0795 k = 0.4300-0.0000 0.2446 ( 4270 PWs) bands (ev): -0.1534 -0.1534 -0.1479 -0.1479 1.7715 1.7715 1.7928 1.7928 4.2143 4.2143 4.3272 4.3272 6.0066 6.0066 6.2439 6.2439 6.5386 6.5386 6.6349 6.6349 7.1502 7.1502 7.1736 7.1736 8.0601 8.0601 8.0771 8.0771 8.3736 8.3736 8.3978 8.3978 8.8416 8.8416 8.8648 8.8648 9.5367 9.5367 9.5503 9.5503 10.0259 10.0259 10.0572 10.0572 k = 0.4400-0.0000 0.2446 ( 4270 PWs) bands (ev): -0.0801 -0.0801 -0.0741 -0.0741 1.7543 1.7543 1.7765 1.7765 4.1797 4.1797 4.2904 4.2904 6.0423 6.0423 6.2794 6.2794 6.5060 6.5060 6.5864 6.5864 7.1402 7.1402 7.1442 7.1442 8.0789 8.0789 8.0915 8.0915 8.3784 8.3784 8.4021 8.4021 8.8320 8.8320 8.8608 8.8608 9.5302 9.5302 9.5452 9.5452 10.0070 10.0070 10.0384 10.0384 k = 0.4500-0.0000 0.2446 ( 4268 PWs) bands (ev): -0.0132 -0.0132 -0.0068 -0.0068 1.7338 1.7338 1.7569 1.7569 4.1529 4.1529 4.2620 4.2620 6.0689 6.0689 6.2906 6.2906 6.5006 6.5006 6.5487 6.5487 7.1150 7.1150 7.1306 7.1306 8.0932 8.0932 8.1021 8.1021 8.3837 8.3837 8.4060 8.4060 8.8248 8.8248 8.8594 8.8594 9.5241 9.5241 9.5403 9.5403 9.9915 9.9915 10.0229 10.0229 k = 0.4600-0.0000 0.2446 ( 4264 PWs) bands (ev): 0.0455 0.0455 0.0524 0.0524 1.7122 1.7122 1.7359 1.7359 4.1331 4.1331 4.2411 4.2411 6.0860 6.0860 6.2789 6.2789 6.5207 6.5207 6.5227 6.5227 7.0865 7.0865 7.1218 7.1218 8.1036 8.1036 8.1094 8.1094 8.3890 8.3890 8.4093 8.4093 8.8200 8.8200 8.8602 8.8602 9.5185 9.5185 9.5358 9.5358 9.9789 9.9789 10.0105 10.0105 k = 0.4700-0.0000 0.2446 ( 4262 PWs) bands (ev): 0.0940 0.0940 0.1014 0.1014 1.6918 1.6918 1.7161 1.7161 4.1192 4.1192 4.2263 4.2263 6.0945 6.0945 6.2584 6.2584 6.5074 6.5074 6.5516 6.5516 7.0600 7.0600 7.1143 7.1143 8.1106 8.1106 8.1142 8.1142 8.3938 8.3938 8.4118 8.4118 8.8171 8.8171 8.8622 8.8622 9.5137 9.5137 9.5319 9.5319 9.9693 9.9693 10.0010 10.0010 k = 0.4800-0.0000 0.2446 ( 4246 PWs) bands (ev): 0.1305 0.1305 0.1383 0.1383 1.6749 1.6749 1.6997 1.6997 4.1102 4.1102 4.2167 4.2167 6.0971 6.0971 6.2393 6.2393 6.5000 6.5000 6.5811 6.5811 7.0376 7.0376 7.1084 7.1084 8.1150 8.1150 8.1170 8.1170 8.3975 8.3975 8.4135 8.4135 8.8156 8.8156 8.8645 8.8645 9.5101 9.5101 9.5289 9.5289 9.9626 9.9626 9.9944 9.9944 k = 0.4900-0.0000 0.2446 ( 4254 PWs) bands (ev): 0.1532 0.1532 0.1613 0.1613 1.6638 1.6638 1.6888 1.6888 4.1051 4.1051 4.2113 4.2113 6.0971 6.0971 6.2266 6.2266 6.4972 6.4972 6.6020 6.6020 7.0221 7.0221 7.1047 7.1047 8.1174 8.1174 8.1184 8.1184 8.3998 8.3998 8.4145 8.4145 8.8149 8.8149 8.8663 8.8663 9.5078 9.5078 9.5269 9.5269 9.9586 9.9586 9.9904 9.9904 k = 0.5000-0.0000 0.2446 ( 4244 PWs) bands (ev): 0.1609 0.1609 0.1691 0.1691 1.6599 1.6599 1.6850 1.6850 4.1035 4.1035 4.2096 4.2096 6.0968 6.0968 6.2221 6.2221 6.4966 6.4966 6.6096 6.6096 7.0166 7.0166 7.1034 7.1034 8.1181 8.1181 8.1189 8.1189 8.4006 8.4006 8.4148 8.4148 8.8147 8.8147 8.8670 8.8670 9.5069 9.5069 9.5262 9.5262 9.9573 9.9573 9.9891 9.9891 k = 0.5000-0.0000 0.2446 ( 4244 PWs) bands (ev): 0.1609 0.1609 0.1691 0.1691 1.6599 1.6599 1.6850 1.6850 4.1035 4.1035 4.2096 4.2096 6.0968 6.0968 6.2221 6.2221 6.4966 6.4966 6.6096 6.6096 7.0166 7.0166 7.1034 7.1034 8.1181 8.1181 8.1189 8.1189 8.4006 8.4006 8.4148 8.4148 8.8147 8.8147 8.8670 8.8670 9.5069 9.5069 9.5262 9.5262 9.9573 9.9573 9.9891 9.9891 k = 0.5000 0.0101 0.2446 ( 4260 PWs) bands (ev): 0.1613 0.1613 0.1695 0.1695 1.6606 1.6606 1.6857 1.6857 4.1018 4.1018 4.2075 4.2075 6.0862 6.0862 6.2052 6.2052 6.5015 6.5015 6.6211 6.6211 7.0199 7.0199 7.1069 7.1069 8.1206 8.1206 8.1222 8.1222 8.4013 8.4013 8.4155 8.4155 8.8129 8.8129 8.8644 8.8644 9.5072 9.5072 9.5264 9.5264 9.9627 9.9627 9.9940 9.9940 k = 0.5000 0.0203 0.2446 ( 4256 PWs) bands (ev): 0.1625 0.1625 0.1706 0.1706 1.6627 1.6627 1.6877 1.6877 4.0969 4.0969 4.2014 4.2014 6.0558 6.0558 6.1599 6.1599 6.5152 6.5152 6.6506 6.6506 7.0296 7.0296 7.1171 7.1171 8.1279 8.1279 8.1323 8.1323 8.4035 8.4035 8.4175 8.4175 8.8075 8.8075 8.8567 8.8567 9.5081 9.5081 9.5270 9.5270 9.9789 9.9789 10.0086 10.0086 k = 0.5000 0.0304 0.2446 ( 4264 PWs) bands (ev): 0.1644 0.1644 0.1725 0.1725 1.6661 1.6661 1.6911 1.6911 4.0888 4.0888 4.1915 4.1915 6.0089 6.0089 6.0956 6.0956 6.5356 6.5356 6.6889 6.6889 7.0452 7.0452 7.1328 7.1328 8.1397 8.1397 8.1483 8.1483 8.4071 8.4071 8.4207 8.4207 8.7991 8.7991 8.8446 8.8446 9.5094 9.5094 9.5281 9.5281 10.0055 10.0055 10.0326 10.0326 k = 0.5000 0.0406 0.2446 ( 4272 PWs) bands (ev): 0.1670 0.1670 0.1750 0.1750 1.6709 1.6709 1.6957 1.6957 4.0779 4.0779 4.1781 4.1781 5.9493 5.9493 6.0197 6.0197 6.5608 6.5608 6.7299 6.7299 7.0659 7.0659 7.1525 7.1525 8.1553 8.1553 8.1697 8.1697 8.4120 8.4120 8.4253 8.4253 8.7887 8.7887 8.8292 8.8292 9.5111 9.5111 9.5296 9.5296 10.0417 10.0417 10.0655 10.0655 k = 0.5000 0.0507 0.2446 ( 4276 PWs) bands (ev): 0.1704 0.1704 0.1783 0.1783 1.6769 1.6769 1.7016 1.7016 4.0645 4.0645 4.1616 4.1616 5.8801 5.8801 5.9364 5.9364 6.5895 6.5895 6.7704 6.7704 7.0904 7.0904 7.1746 7.1746 8.1739 8.1739 8.1951 8.1951 8.4182 8.4182 8.4310 8.4310 8.7773 8.7773 8.8116 8.8116 9.5133 9.5133 9.5315 9.5315 10.0869 10.0869 10.1068 10.1068 k = 0.5000 0.0609 0.2446 ( 4284 PWs) bands (ev): 0.1744 0.1744 0.1822 0.1822 1.6842 1.6842 1.7087 1.7087 4.0489 4.0489 4.1425 4.1425 5.8035 5.8035 5.8482 5.8482 6.6209 6.6209 6.8093 6.8093 7.1176 7.1176 7.1980 7.1980 8.1945 8.1945 8.2232 8.2232 8.4254 8.4254 8.4378 8.4378 8.7663 8.7663 8.7934 8.7934 9.5158 9.5158 9.5336 9.5336 10.1402 10.1402 10.1558 10.1558 k = 0.5000 0.0710 0.2446 ( 4284 PWs) bands (ev): 0.1790 0.1790 0.1868 0.1868 1.6925 1.6925 1.7168 1.7168 4.0317 4.0317 4.1214 4.1214 5.7217 5.7217 5.7569 5.7569 6.6543 6.6543 6.8463 6.8463 7.1462 7.1462 7.2216 7.2216 8.2157 8.2157 8.2524 8.2524 8.4335 8.4335 8.4455 8.4455 8.7571 8.7571 8.7760 8.7760 9.5186 9.5186 9.5362 9.5362 10.2011 10.2011 10.2119 10.2119 k = 0.5000 0.0812 0.2446 ( 4276 PWs) bands (ev): 0.1843 0.1843 0.1918 0.1918 1.7019 1.7019 1.7258 1.7258 4.0134 4.0134 4.0990 4.0990 5.6359 5.6359 5.6637 5.6637 6.6894 6.6894 6.8816 6.8816 7.1751 7.1751 7.2448 7.2448 8.2363 8.2363 8.2808 8.2808 8.4421 8.4421 8.4539 8.4539 8.7511 8.7511 8.7611 8.7611 9.5217 9.5217 9.5391 9.5391 10.2688 10.2688 10.2747 10.2747 k = 0.5000 0.0913 0.2446 ( 4276 PWs) bands (ev): 0.1901 0.1901 0.1974 0.1974 1.7122 1.7122 1.7358 1.7358 3.9945 3.9945 4.0758 4.0758 5.5476 5.5476 5.5694 5.5694 6.7257 6.7257 6.9153 6.9153 7.2035 7.2035 7.2672 7.2672 8.2550 8.2550 8.3067 8.3067 8.4508 8.4508 8.4623 8.4623 8.7497 8.7497 8.7508 8.7508 9.5249 9.5249 9.5422 9.5422 10.3428 10.3428 10.3435 10.3435 k = 0.5000 0.1015 0.2446 ( 4284 PWs) bands (ev): 0.1963 0.1963 0.2035 0.2035 1.7233 1.7233 1.7464 1.7464 3.9754 3.9754 4.0525 4.0525 5.4576 5.4576 5.4747 5.4747 6.7626 6.7626 6.9476 6.9476 7.2306 7.2306 7.2885 7.2885 8.2706 8.2706 8.3284 8.3284 8.4594 8.4594 8.4702 8.4702 8.7467 8.7467 8.7539 8.7539 9.5282 9.5282 9.5454 9.5454 10.4178 10.4178 10.4226 10.4226 k = 0.5000 0.1116 0.2446 ( 4280 PWs) bands (ev): 0.2029 0.2029 0.2099 0.2099 1.7350 1.7350 1.7576 1.7576 3.9569 3.9569 4.0296 4.0296 5.3668 5.3668 5.3802 5.3802 6.7997 6.7997 6.9785 6.9785 7.2560 7.2560 7.3087 7.3087 8.2827 8.2827 8.3449 8.3449 8.4676 8.4676 8.4771 8.4771 8.7504 8.7504 8.7645 8.7645 9.5317 9.5317 9.5488 9.5488 10.4971 10.4971 10.5075 10.5075 k = 0.5000 0.1218 0.2446 ( 4280 PWs) bands (ev): 0.2098 0.2098 0.2166 0.2166 1.7472 1.7472 1.7692 1.7692 3.9393 3.9393 4.0078 4.0078 5.2758 5.2758 5.2865 5.2865 6.8367 6.8367 7.0081 7.0081 7.2794 7.2794 7.3275 7.3275 8.2910 8.2910 8.3555 8.3555 8.4754 8.4754 8.4827 8.4827 8.7623 8.7623 8.7813 8.7813 9.5353 9.5353 9.5523 9.5523 10.5808 10.5808 10.5971 10.5971 k = 0.5000 0.1319 0.2446 ( 4284 PWs) bands (ev): 0.2170 0.2170 0.2234 0.2234 1.7597 1.7597 1.7810 1.7810 3.9233 3.9233 3.9875 3.9875 5.1854 5.1854 5.1940 5.1940 6.8731 6.8731 7.0365 7.0365 7.3004 7.3004 7.3448 7.3448 8.2958 8.2958 8.3605 8.3605 8.4825 8.4825 8.4873 8.4873 8.7818 8.7818 8.8038 8.8038 9.5389 9.5389 9.5557 9.5557 10.6681 10.6681 10.6905 10.6905 k = 0.5000 0.1421 0.2446 ( 4288 PWs) bands (ev): 0.2243 0.2243 0.2304 0.2304 1.7724 1.7724 1.7929 1.7929 3.9093 3.9093 3.9694 3.9694 5.0961 5.0961 5.1032 5.1032 6.9087 6.9087 7.0635 7.0635 7.3188 7.3188 7.3605 7.3605 8.2979 8.2979 8.3607 8.3607 8.4889 8.4889 8.4912 8.4912 8.8076 8.8076 8.8312 8.8312 9.5424 9.5424 9.5591 9.5591 10.7581 10.7581 10.7867 10.7867 k = 0.5000 0.1522 0.2446 ( 4288 PWs) bands (ev): 0.2316 0.2316 0.2375 0.2375 1.7851 1.7851 1.8047 1.8047 3.8978 3.8978 3.9538 3.9538 5.0083 5.0083 5.0144 5.0144 6.9432 6.9432 7.0893 7.0893 7.3346 7.3346 7.3744 7.3744 8.2981 8.2981 8.3573 8.3573 8.4945 8.4945 8.4947 8.4947 8.8381 8.8381 8.8624 8.8624 9.5459 9.5459 9.5623 9.5623 10.8497 10.8497 10.8846 10.8846 k = 0.5000 0.1624 0.2446 ( 4296 PWs) bands (ev): 0.2389 0.2389 0.2444 0.2444 1.7976 1.7976 1.8161 1.8161 3.8892 3.8892 3.9412 3.9412 4.9225 4.9225 4.9281 4.9281 6.9764 6.9764 7.1137 7.1137 7.3475 7.3475 7.3864 7.3864 8.2972 8.2972 8.3518 8.3518 8.4978 8.4978 8.4992 8.4992 8.8717 8.8717 8.8964 8.8964 9.5492 9.5492 9.5653 9.5653 10.9412 10.9412 10.9825 10.9825 k = 0.5000 0.1725 0.2446 ( 4280 PWs) bands (ev): 0.2461 0.2461 0.2511 0.2511 1.8097 1.8097 1.8271 1.8271 3.8838 3.8838 3.9319 3.9319 4.8392 4.8392 4.8445 4.8445 7.0082 7.0082 7.1369 7.1369 7.3576 7.3576 7.3964 7.3964 8.2960 8.2960 8.3453 8.3453 8.5005 8.5005 8.5030 8.5030 8.9074 8.9074 8.9321 8.9321 9.5524 9.5524 9.5681 9.5681 11.0306 11.0306 11.0779 11.0779 k = 0.5000 0.1827 0.2446 ( 4276 PWs) bands (ev): 0.2529 0.2529 0.2576 0.2576 1.8213 1.8213 1.8374 1.8374 3.8819 3.8819 3.9262 3.9262 4.7588 4.7588 4.7641 4.7641 7.0385 7.0385 7.1585 7.1585 7.3650 7.3650 7.4041 7.4041 8.2950 8.2950 8.3387 8.3387 8.5024 8.5024 8.5057 8.5057 8.9439 8.9439 8.9684 8.9684 9.5554 9.5554 9.5706 9.5706 11.1147 11.1147 11.1671 11.1671 k = 0.5000 0.1928 0.2446 ( 4276 PWs) bands (ev): 0.2595 0.2595 0.2637 0.2637 1.8322 1.8322 1.8469 1.8469 3.8837 3.8837 3.9243 3.9243 4.6818 4.6818 4.6874 4.6874 7.0673 7.0673 7.1786 7.1786 7.3699 7.3699 7.4095 7.4095 8.2945 8.2945 8.3325 8.3325 8.5037 8.5037 8.5074 8.5074 8.9805 8.9805 9.0045 9.0045 9.5582 9.5582 9.5728 9.5728 11.1895 11.1895 11.2450 11.2450 k = 0.5000 0.2030 0.2446 ( 4272 PWs) bands (ev): 0.2655 0.2655 0.2693 0.2693 1.8423 1.8423 1.8555 1.8555 3.8892 3.8892 3.9261 3.9261 4.6087 4.6087 4.6147 4.6147 7.0946 7.0946 7.1969 7.1969 7.3725 7.3725 7.4127 7.4127 8.2947 8.2947 8.3272 8.3272 8.5043 8.5043 8.5081 8.5081 9.0161 9.0161 9.0393 9.0393 9.5607 9.5607 9.5745 9.5745 11.2506 11.2506 11.3053 11.3053 k = 0.5000 0.2131 0.2446 ( 4276 PWs) bands (ev): 0.2710 0.2710 0.2743 0.2743 1.8515 1.8515 1.8630 1.8630 3.8985 3.8985 3.9316 3.9316 4.5403 4.5403 4.5467 4.5467 7.1202 7.1202 7.2131 7.2131 7.3734 7.3734 7.4135 7.4135 8.2956 8.2956 8.3228 8.3228 8.5043 8.5043 8.5080 8.5080 9.0501 9.0501 9.0719 9.0719 9.5631 9.5631 9.5758 9.5758 11.2944 11.2944 11.3440 11.3440 k = 0.5000 0.2233 0.2446 ( 4276 PWs) bands (ev): 0.2759 0.2759 0.2787 0.2787 1.8595 1.8595 1.8693 1.8693 3.9111 3.9111 3.9402 3.9402 4.4772 4.4772 4.4840 4.4840 7.1441 7.1441 7.2266 7.2266 7.3733 7.3733 7.4123 7.4123 8.2971 8.2971 8.3192 8.3192 8.5039 8.5039 8.5074 8.5074 9.0814 9.0814 9.1012 9.1012 9.5652 9.5652 9.5766 9.5766 11.3209 11.3209 11.3622 11.3622 k = 0.5000 0.2334 0.2446 ( 4268 PWs) bands (ev): 0.2801 0.2801 0.2823 0.2823 1.8665 1.8665 1.8744 1.8744 3.9264 3.9264 3.9514 3.9514 4.4207 4.4207 4.4276 4.4276 7.1662 7.1662 7.2368 7.2368 7.3731 7.3731 7.4093 7.4093 8.2990 8.2990 8.3164 8.3164 8.5033 8.5033 8.5063 8.5063 9.1091 9.1091 9.1263 9.1263 9.5673 9.5673 9.5770 9.5770 11.3336 11.3336 11.3658 11.3658 k = 0.5000 0.2436 0.2446 ( 4272 PWs) bands (ev): 0.2835 0.2835 0.2852 0.2852 1.8721 1.8721 1.8782 1.8782 3.9434 3.9434 3.9636 3.9636 4.3723 4.3723 4.3790 4.3790 7.1864 7.1864 7.2428 7.2428 7.3738 7.3738 7.4046 7.4046 8.3013 8.3013 8.3140 8.3140 8.5027 8.5027 8.5051 8.5051 9.1325 9.1325 9.1462 9.1462 9.5691 9.5691 9.5768 9.5768 11.3378 11.3378 11.3612 11.3612 k = 0.5000 0.2537 0.2446 ( 4276 PWs) bands (ev): 0.2860 0.2860 0.2871 0.2871 1.8765 1.8765 1.8806 1.8806 3.9601 3.9601 3.9746 3.9746 4.3347 4.3347 4.3402 4.3402 7.2043 7.2043 7.2440 7.2440 7.3760 7.3760 7.3988 7.3988 8.3036 8.3036 8.3120 8.3120 8.5023 8.5023 8.5039 8.5039 9.1507 9.1507 9.1603 9.1603 9.5709 9.5709 9.5762 9.5762 11.3384 11.3384 11.3537 11.3537 k = 0.5000 0.2639 0.2446 ( 4272 PWs) bands (ev): 0.2876 0.2876 0.2882 0.2882 1.8796 1.8796 1.8816 1.8816 3.9738 3.9738 3.9816 3.9816 4.3108 4.3108 4.3140 4.3140 7.2197 7.2197 7.2403 7.2403 7.3802 7.3802 7.3923 7.3923 8.3059 8.3059 8.3100 8.3100 8.5021 8.5021 8.5030 8.5030 9.1630 9.1630 9.1679 9.1679 9.5725 9.5725 9.5753 9.5753 11.3389 11.3389 11.3464 11.3464 k = 0.5000 0.2740 0.2446 ( 4288 PWs) bands (ev): 0.2884 0.2884 0.2884 0.2884 1.8813 1.8813 1.8813 1.8813 3.9816 3.9816 3.9816 3.9816 4.3036 4.3036 4.3036 4.3036 7.2319 7.2319 7.2319 7.2319 7.3858 7.3858 7.3858 7.3858 8.3080 8.3080 8.3080 8.3080 8.5023 8.5023 8.5023 8.5023 9.1688 9.1688 9.1688 9.1688 9.5740 9.5740 9.5740 9.5740 11.3413 11.3413 11.3413 11.3413 k = 0.5000 0.2740 0.2446 ( 4288 PWs) bands (ev): 0.2884 0.2884 0.2884 0.2884 1.8813 1.8813 1.8813 1.8813 3.9816 3.9816 3.9816 3.9816 4.3036 4.3036 4.3036 4.3036 7.2319 7.2319 7.2319 7.2319 7.3858 7.3858 7.3858 7.3858 8.3080 8.3080 8.3080 8.3080 8.5023 8.5023 8.5023 8.5023 9.1688 9.1688 9.1688 9.1688 9.5740 9.5740 9.5740 9.5740 11.3413 11.3413 11.3413 11.3413 k = 0.4900 0.2740 0.2446 ( 4272 PWs) bands (ev): 0.2839 0.2839 0.2839 0.2839 1.8738 1.8738 1.8738 1.8738 3.9883 3.9883 3.9883 3.9883 4.3128 4.3128 4.3128 4.3128 7.2324 7.2324 7.2324 7.2324 7.3844 7.3844 7.3844 7.3844 8.3076 8.3076 8.3076 8.3076 8.5020 8.5020 8.5020 8.5020 9.1673 9.1673 9.1673 9.1673 9.5736 9.5736 9.5736 9.5736 11.3354 11.3354 11.3354 11.3354 k = 0.4800 0.2740 0.2446 ( 4272 PWs) bands (ev): 0.2706 0.2706 0.2706 0.2706 1.8516 1.8516 1.8516 1.8516 4.0080 4.0080 4.0080 4.0080 4.3401 4.3401 4.3401 4.3401 7.2337 7.2337 7.2337 7.2337 7.3800 7.3800 7.3800 7.3800 8.3062 8.3062 8.3062 8.3062 8.5008 8.5008 8.5008 8.5008 9.1627 9.1627 9.1627 9.1627 9.5726 9.5726 9.5726 9.5726 11.3182 11.3182 11.3182 11.3182 k = 0.4700 0.2740 0.2446 ( 4276 PWs) bands (ev): 0.2487 0.2487 0.2487 0.2487 1.8157 1.8157 1.8157 1.8157 4.0405 4.0405 4.0405 4.0405 4.3844 4.3844 4.3844 4.3844 7.2357 7.2357 7.2357 7.2357 7.3729 7.3729 7.3729 7.3729 8.3038 8.3038 8.3038 8.3038 8.4989 8.4989 8.4989 8.4989 9.1551 9.1551 9.1551 9.1551 9.5709 9.5709 9.5709 9.5709 11.2916 11.2916 11.2916 11.2916 k = 0.4600 0.2740 0.2446 ( 4268 PWs) bands (ev): 0.2188 0.2188 0.2188 0.2188 1.7678 1.7678 1.7678 1.7678 4.0852 4.0852 4.0852 4.0852 4.4440 4.4440 4.4440 4.4440 7.2383 7.2383 7.2383 7.2383 7.3637 7.3637 7.3637 7.3637 8.3004 8.3004 8.3004 8.3004 8.4962 8.4962 8.4962 8.4962 9.1450 9.1450 9.1450 9.1450 9.5686 9.5686 9.5686 9.5686 11.2581 11.2581 11.2581 11.2581 k = 0.4500 0.2740 0.2446 ( 4272 PWs) bands (ev): 0.1814 0.1814 0.1814 0.1814 1.7094 1.7094 1.7094 1.7094 4.1413 4.1413 4.1413 4.1413 4.5171 4.5171 4.5171 4.5171 7.2409 7.2409 7.2409 7.2409 7.3530 7.3530 7.3530 7.3530 8.2960 8.2960 8.2960 8.2960 8.4926 8.4926 8.4926 8.4926 9.1325 9.1325 9.1325 9.1325 9.5658 9.5658 9.5658 9.5658 11.2200 11.2200 11.2200 11.2200 k = 0.4400 0.2740 0.2446 ( 4280 PWs) bands (ev): 0.1375 0.1375 0.1375 0.1375 1.6425 1.6425 1.6425 1.6425 4.2080 4.2080 4.2080 4.2080 4.6014 4.6014 4.6014 4.6014 7.2427 7.2427 7.2427 7.2427 7.3421 7.3421 7.3421 7.3421 8.2904 8.2904 8.2904 8.2904 8.4881 8.4881 8.4881 8.4881 9.1181 9.1181 9.1181 9.1181 9.5627 9.5627 9.5627 9.5627 11.1792 11.1792 11.1792 11.1792 k = 0.4300 0.2740 0.2446 ( 4288 PWs) bands (ev): 0.0876 0.0876 0.0876 0.0876 1.5687 1.5687 1.5687 1.5687 4.2843 4.2843 4.2843 4.2843 4.6950 4.6950 4.6950 4.6950 7.2421 7.2421 7.2421 7.2421 7.3329 7.3329 7.3329 7.3329 8.2835 8.2835 8.2835 8.2835 8.4828 8.4828 8.4828 8.4828 9.1022 9.1022 9.1022 9.1022 9.5595 9.5595 9.5595 9.5595 11.1373 11.1373 11.1373 11.1373 k = 0.4200 0.2740 0.2446 ( 4288 PWs) bands (ev): 0.0327 0.0327 0.0327 0.0327 1.4895 1.4895 1.4895 1.4895 4.3692 4.3692 4.3692 4.3692 4.7959 4.7959 4.7959 4.7959 7.2373 7.2373 7.2373 7.2373 7.3281 7.3281 7.3281 7.3281 8.2754 8.2754 8.2754 8.2754 8.4765 8.4765 8.4765 8.4765 9.0854 9.0854 9.0854 9.0854 9.5564 9.5564 9.5564 9.5564 11.0955 11.0955 11.0955 11.0955 k = 0.4100 0.2740 0.2446 ( 4300 PWs) bands (ev): -0.0265 -0.0265 -0.0265 -0.0265 1.4064 1.4064 1.4064 1.4064 4.4617 4.4617 4.4617 4.4617 4.9023 4.9023 4.9023 4.9023 7.2273 7.2273 7.2273 7.2273 7.3290 7.3290 7.3290 7.3290 8.2659 8.2659 8.2659 8.2659 8.4692 8.4692 8.4692 8.4692 9.0681 9.0681 9.0681 9.0681 9.5536 9.5536 9.5536 9.5536 11.0544 11.0544 11.0544 11.0544 k = 0.4000 0.2740 0.2446 ( 4300 PWs) bands (ev): -0.0892 -0.0892 -0.0892 -0.0892 1.3205 1.3205 1.3205 1.3205 4.5608 4.5608 4.5608 4.5608 5.0123 5.0123 5.0123 5.0123 7.2133 7.2133 7.2133 7.2133 7.3356 7.3356 7.3356 7.3356 8.2551 8.2551 8.2551 8.2551 8.4610 8.4610 8.4610 8.4610 9.0508 9.0508 9.0508 9.0508 9.5515 9.5515 9.5515 9.5515 11.0149 11.0149 11.0149 11.0149 k = 0.3900 0.2740 0.2446 ( 4296 PWs) bands (ev): -0.1547 -0.1547 -0.1547 -0.1547 1.2326 1.2326 1.2326 1.2326 4.6654 4.6654 4.6654 4.6654 5.1240 5.1240 5.1240 5.1240 7.1975 7.1975 7.1975 7.1975 7.3464 7.3464 7.3464 7.3464 8.2429 8.2429 8.2429 8.2429 8.4517 8.4517 8.4517 8.4517 9.0341 9.0341 9.0341 9.0341 9.5503 9.5503 9.5503 9.5503 10.9771 10.9771 10.9771 10.9771 k = 0.3800 0.2740 0.2446 ( 4296 PWs) bands (ev): -0.2225 -0.2225 -0.2225 -0.2225 1.1435 1.1435 1.1435 1.1435 4.7744 4.7744 4.7744 4.7744 5.2358 5.2358 5.2358 5.2358 7.1818 7.1818 7.1818 7.1818 7.3607 7.3607 7.3607 7.3607 8.2295 8.2295 8.2295 8.2295 8.4415 8.4415 8.4415 8.4415 9.0184 9.0184 9.0184 9.0184 9.5504 9.5504 9.5504 9.5504 10.9415 10.9415 10.9415 10.9415 k = 0.3700 0.2740 0.2446 ( 4296 PWs) bands (ev): -0.2918 -0.2918 -0.2918 -0.2918 1.0539 1.0539 1.0539 1.0539 4.8868 4.8868 4.8868 4.8868 5.3457 5.3457 5.3457 5.3457 7.1681 7.1681 7.1681 7.1681 7.3778 7.3778 7.3778 7.3778 8.2150 8.2150 8.2150 8.2150 8.4302 8.4302 8.4302 8.4302 9.0041 9.0041 9.0041 9.0041 9.5522 9.5522 9.5522 9.5522 10.9081 10.9081 10.9081 10.9081 k = 0.3600 0.2740 0.2446 ( 4296 PWs) bands (ev): -0.3623 -0.3623 -0.3623 -0.3623 0.9644 0.9644 0.9644 0.9644 5.0016 5.0016 5.0016 5.0016 5.4516 5.4516 5.4516 5.4516 7.1581 7.1581 7.1581 7.1581 7.3974 7.3974 7.3974 7.3974 8.1998 8.1998 8.1998 8.1998 8.4180 8.4180 8.4180 8.4180 8.9914 8.9914 8.9914 8.9914 9.5563 9.5563 9.5563 9.5563 10.8771 10.8771 10.8771 10.8771 k = 0.3500 0.2740 0.2446 ( 4300 PWs) bands (ev): -0.4334 -0.4334 -0.4334 -0.4334 0.8753 0.8753 0.8753 0.8753 5.1177 5.1177 5.1177 5.1177 5.5513 5.5513 5.5513 5.5513 7.1536 7.1536 7.1536 7.1536 7.4194 7.4194 7.4194 7.4194 8.1843 8.1843 8.1843 8.1843 8.4049 8.4049 8.4049 8.4049 8.9806 8.9806 8.9806 8.9806 9.5629 9.5629 9.5629 9.5629 10.8485 10.8485 10.8485 10.8485 k = 0.3400 0.2740 0.2446 ( 4304 PWs) bands (ev): -0.5048 -0.5048 -0.5048 -0.5048 0.7870 0.7870 0.7870 0.7870 5.2339 5.2339 5.2339 5.2339 5.6426 5.6426 5.6426 5.6426 7.1563 7.1563 7.1563 7.1563 7.4436 7.4436 7.4436 7.4436 8.1691 8.1691 8.1691 8.1691 8.3910 8.3910 8.3910 8.3910 8.9718 8.9718 8.9718 8.9718 9.5729 9.5729 9.5729 9.5729 10.8224 10.8224 10.8224 10.8224 k = 0.3300 0.2740 0.2446 ( 4304 PWs) bands (ev): -0.5761 -0.5761 -0.5761 -0.5761 0.6998 0.6998 0.6998 0.6998 5.3490 5.3490 5.3490 5.3490 5.7232 5.7232 5.7232 5.7232 7.1678 7.1678 7.1678 7.1678 7.4699 7.4699 7.4699 7.4699 8.1548 8.1548 8.1548 8.1548 8.3763 8.3763 8.3763 8.3763 8.9653 8.9653 8.9653 8.9653 9.5866 9.5866 9.5866 9.5866 10.7989 10.7989 10.7989 10.7989 k = 0.3200 0.2740 0.2446 ( 4308 PWs) bands (ev): -0.6470 -0.6470 -0.6470 -0.6470 0.6141 0.6141 0.6141 0.6141 5.4616 5.4616 5.4616 5.4616 5.7916 5.7916 5.7916 5.7916 7.1892 7.1892 7.1892 7.1892 7.4980 7.4980 7.4980 7.4980 8.1424 8.1424 8.1424 8.1424 8.3609 8.3609 8.3609 8.3609 8.9609 8.9609 8.9609 8.9609 9.6049 9.6049 9.6049 9.6049 10.7781 10.7781 10.7781 10.7781 k = 0.3100 0.2740 0.2446 ( 4312 PWs) bands (ev): -0.7172 -0.7172 -0.7172 -0.7172 0.5299 0.5299 0.5299 0.5299 5.5704 5.5704 5.5704 5.5704 5.8466 5.8466 5.8466 5.8466 7.2210 7.2210 7.2210 7.2210 7.5275 7.5275 7.5275 7.5275 8.1330 8.1330 8.1330 8.1330 8.3450 8.3450 8.3450 8.3450 8.9585 8.9585 8.9585 8.9585 9.6282 9.6282 9.6282 9.6282 10.7600 10.7600 10.7600 10.7600 k = 0.3000 0.2740 0.2446 ( 4320 PWs) bands (ev): -0.7864 -0.7864 -0.7864 -0.7864 0.4475 0.4475 0.4475 0.4475 5.6732 5.6732 5.6732 5.6732 5.8887 5.8887 5.8887 5.8887 7.2627 7.2627 7.2627 7.2627 7.5578 7.5578 7.5578 7.5578 8.1277 8.1277 8.1277 8.1277 8.3289 8.3289 8.3289 8.3289 8.9582 8.9582 8.9582 8.9582 9.6573 9.6573 9.6573 9.6573 10.7448 10.7448 10.7448 10.7448 k = 0.2900 0.2740 0.2446 ( 4316 PWs) bands (ev): -0.8546 -0.8546 -0.8546 -0.8546 0.3671 0.3671 0.3671 0.3671 5.7669 5.7669 5.7669 5.7669 5.9206 5.9206 5.9206 5.9206 7.3125 7.3125 7.3125 7.3125 7.5882 7.5882 7.5882 7.5882 8.1280 8.1280 8.1280 8.1280 8.3127 8.3127 8.3127 8.3127 8.9598 8.9598 8.9598 8.9598 9.6927 9.6927 9.6927 9.6927 10.7329 10.7329 10.7329 10.7329 k = 0.2800 0.2740 0.2446 ( 4312 PWs) bands (ev): -0.9214 -0.9214 -0.9214 -0.9214 0.2887 0.2887 0.2887 0.2887 5.8427 5.8427 5.8427 5.8427 5.9515 5.9515 5.9515 5.9515 7.3682 7.3682 7.3682 7.3682 7.6175 7.6175 7.6175 7.6175 8.1350 8.1350 8.1350 8.1350 8.2970 8.2970 8.2970 8.2970 8.9631 8.9631 8.9631 8.9631 9.7347 9.7347 9.7347 9.7347 10.7248 10.7248 10.7248 10.7248 k = 0.2700 0.2740 0.2446 ( 4312 PWs) bands (ev): -0.9867 -0.9867 -0.9867 -0.9867 0.2125 0.2125 0.2125 0.2125 5.8831 5.8831 5.8831 5.8831 5.9997 5.9997 5.9997 5.9997 7.4267 7.4267 7.4267 7.4267 7.6450 7.6450 7.6450 7.6450 8.1493 8.1493 8.1493 8.1493 8.2825 8.2825 8.2825 8.2825 8.9679 8.9679 8.9679 8.9679 9.7836 9.7836 9.7836 9.7836 10.7209 10.7209 10.7209 10.7209 k = 0.2600 0.2740 0.2446 ( 4320 PWs) bands (ev): -1.0504 -1.0504 -1.0504 -1.0504 0.1386 0.1386 0.1386 0.1386 5.8908 5.8908 5.8908 5.8908 6.0635 6.0635 6.0635 6.0635 7.4849 7.4849 7.4849 7.4849 7.6704 7.6704 7.6704 7.6704 8.1698 8.1698 8.1698 8.1698 8.2711 8.2711 8.2711 8.2711 8.9739 8.9739 8.9739 8.9739 9.8389 9.8389 9.8389 9.8389 10.7225 10.7225 10.7225 10.7225 k = 0.2500 0.2740 0.2446 ( 4320 PWs) bands (ev): -1.1124 -1.1124 -1.1124 -1.1124 0.0670 0.0670 0.0670 0.0670 5.8830 5.8830 5.8830 5.8830 6.1274 6.1274 6.1274 6.1274 7.5397 7.5397 7.5397 7.5397 7.6940 7.6940 7.6940 7.6940 8.1906 8.1906 8.1906 8.1906 8.2685 8.2685 8.2685 8.2685 8.9809 8.9809 8.9809 8.9809 9.8996 9.8996 9.8996 9.8996 10.7308 10.7308 10.7308 10.7308 k = 0.2400 0.2740 0.2446 ( 4320 PWs) bands (ev): -1.1725 -1.1725 -1.1725 -1.1725 -0.0021 -0.0021 -0.0021 -0.0021 5.8670 5.8670 5.8670 5.8670 6.1855 6.1855 6.1855 6.1855 7.5880 7.5880 7.5880 7.5880 7.7172 7.7172 7.7172 7.7172 8.1997 8.1997 8.1997 8.1997 8.2859 8.2859 8.2859 8.2859 8.9884 8.9884 8.9884 8.9884 9.9639 9.9639 9.9639 9.9639 10.7480 10.7480 10.7480 10.7480 k = 0.2300 0.2740 0.2446 ( 4316 PWs) bands (ev): -1.2307 -1.2307 -1.2307 -1.2307 -0.0687 -0.0687 -0.0687 -0.0687 5.8459 5.8459 5.8459 5.8459 6.2360 6.2360 6.2360 6.2360 7.6276 7.6276 7.6276 7.6276 7.7416 7.7416 7.7416 7.7416 8.1960 8.1960 8.1960 8.1960 8.3226 8.3226 8.3226 8.3226 8.9961 8.9961 8.9961 8.9961 10.0290 10.0290 10.0290 10.0290 10.7766 10.7766 10.7766 10.7766 k = 0.2200 0.2740 0.2446 ( 4308 PWs) bands (ev): -1.2868 -1.2868 -1.2868 -1.2868 -0.1328 -0.1328 -0.1328 -0.1328 5.8212 5.8212 5.8212 5.8212 6.2787 6.2787 6.2787 6.2787 7.6581 7.6581 7.6581 7.6581 7.7670 7.7670 7.7670 7.7670 8.1881 8.1881 8.1881 8.1881 8.3682 8.3682 8.3682 8.3682 9.0034 9.0034 9.0034 9.0034 10.0911 10.0911 10.0911 10.0911 10.8199 10.8199 10.8199 10.8199 k = 0.2100 0.2740 0.2446 ( 4316 PWs) bands (ev): -1.3408 -1.3408 -1.3408 -1.3408 -0.1942 -0.1942 -0.1942 -0.1942 5.7943 5.7943 5.7943 5.7943 6.3139 6.3139 6.3139 6.3139 7.6817 7.6817 7.6817 7.6817 7.7917 7.7917 7.7917 7.7917 8.1800 8.1800 8.1800 8.1800 8.4164 8.4164 8.4164 8.4164 9.0097 9.0097 9.0097 9.0097 10.1466 10.1466 10.1466 10.1466 10.8806 10.8806 10.8806 10.8806 k = 0.2000 0.2740 0.2446 ( 4324 PWs) bands (ev): -1.3926 -1.3926 -1.3926 -1.3926 -0.2530 -0.2530 -0.2530 -0.2530 5.7660 5.7660 5.7660 5.7660 6.3421 6.3421 6.3421 6.3421 7.7014 7.7014 7.7014 7.7014 7.8131 7.8131 7.8131 7.8131 8.1734 8.1734 8.1734 8.1734 8.4640 8.4640 8.4640 8.4640 9.0144 9.0144 9.0144 9.0144 10.1928 10.1928 10.1928 10.1928 10.9600 10.9600 10.9600 10.9600 k = 0.1900 0.2740 0.2446 ( 4320 PWs) bands (ev): -1.4422 -1.4422 -1.4422 -1.4422 -0.3091 -0.3091 -0.3091 -0.3091 5.7368 5.7368 5.7368 5.7368 6.3639 6.3639 6.3639 6.3639 7.7194 7.7194 7.7194 7.7194 7.8297 7.8297 7.8297 7.8297 8.1688 8.1688 8.1688 8.1688 8.5087 8.5087 8.5087 8.5087 9.0170 9.0170 9.0170 9.0170 10.2290 10.2290 10.2290 10.2290 11.0573 11.0573 11.0573 11.0573 k = 0.1800 0.2740 0.2446 ( 4312 PWs) bands (ev): -1.4894 -1.4894 -1.4894 -1.4894 -0.3625 -0.3625 -0.3625 -0.3625 5.7075 5.7075 5.7075 5.7075 6.3801 6.3801 6.3801 6.3801 7.7372 7.7372 7.7372 7.7372 7.8409 7.8409 7.8409 7.8409 8.1662 8.1662 8.1662 8.1662 8.5490 8.5490 8.5490 8.5490 9.0171 9.0171 9.0171 9.0171 10.2559 10.2559 10.2559 10.2559 11.1694 11.1694 11.1694 11.1694 k = 0.1700 0.2740 0.2446 ( 4304 PWs) bands (ev): -1.5343 -1.5343 -1.5343 -1.5343 -0.4131 -0.4131 -0.4131 -0.4131 5.6782 5.6782 5.6782 5.6782 6.3914 6.3914 6.3914 6.3914 7.7556 7.7556 7.7556 7.7556 7.8472 7.8472 7.8472 7.8472 8.1656 8.1656 8.1656 8.1656 8.5839 8.5839 8.5839 8.5839 9.0145 9.0145 9.0145 9.0145 10.2752 10.2752 10.2752 10.2752 11.2924 11.2924 11.2924 11.2924 k = 0.1600 0.2740 0.2446 ( 4304 PWs) bands (ev): -1.5769 -1.5769 -1.5769 -1.5769 -0.4609 -0.4609 -0.4609 -0.4609 5.6495 5.6495 5.6495 5.6495 6.3986 6.3986 6.3986 6.3986 7.7747 7.7747 7.7747 7.7747 7.8496 7.8496 7.8496 7.8496 8.1663 8.1663 8.1663 8.1663 8.6126 8.6126 8.6126 8.6126 9.0093 9.0093 9.0093 9.0093 10.2888 10.2888 10.2888 10.2888 11.4229 11.4229 11.4229 11.4229 k = 0.1500 0.2740 0.2446 ( 4304 PWs) bands (ev): -1.6170 -1.6170 -1.6170 -1.6170 -0.5060 -0.5060 -0.5060 -0.5060 5.6216 5.6216 5.6216 5.6216 6.4024 6.4024 6.4024 6.4024 7.7938 7.7938 7.7938 7.7938 7.8497 7.8497 7.8497 7.8497 8.1679 8.1679 8.1679 8.1679 8.6347 8.6347 8.6347 8.6347 9.0021 9.0021 9.0021 9.0021 10.2981 10.2981 10.2981 10.2981 11.5599 11.5599 11.5599 11.5599 k = 0.1400 0.2740 0.2446 ( 4304 PWs) bands (ev): -1.6546 -1.6546 -1.6546 -1.6546 -0.5482 -0.5482 -0.5482 -0.5482 5.5947 5.5947 5.5947 5.5947 6.4034 6.4034 6.4034 6.4034 7.8104 7.8104 7.8104 7.8104 7.8516 7.8516 7.8516 7.8516 8.1700 8.1700 8.1700 8.1700 8.6498 8.6498 8.6498 8.6498 8.9938 8.9938 8.9938 8.9938 10.3045 10.3045 10.3045 10.3045 11.7033 11.7033 11.7033 11.7033 k = 0.1300 0.2740 0.2446 ( 4304 PWs) bands (ev): -1.6898 -1.6898 -1.6898 -1.6898 -0.5876 -0.5876 -0.5876 -0.5876 5.5690 5.5690 5.5690 5.5690 6.4022 6.4022 6.4022 6.4022 7.8176 7.8176 7.8176 7.8176 7.8625 7.8625 7.8625 7.8625 8.1722 8.1722 8.1722 8.1722 8.6575 8.6575 8.6575 8.6575 8.9855 8.9855 8.9855 8.9855 10.3086 10.3086 10.3086 10.3086 11.8527 11.8527 11.8527 11.8527 k = 0.1200 0.2740 0.2446 ( 4316 PWs) bands (ev): -1.7224 -1.7224 -1.7224 -1.7224 -0.6241 -0.6241 -0.6241 -0.6241 5.5446 5.5446 5.5446 5.5446 6.3994 6.3994 6.3994 6.3994 7.8152 7.8152 7.8152 7.8152 7.8834 7.8834 7.8834 7.8834 8.1743 8.1743 8.1743 8.1743 8.6577 8.6577 8.6577 8.6577 8.9779 8.9779 8.9779 8.9779 10.3112 10.3112 10.3112 10.3112 12.0065 12.0065 12.0065 12.0065 k = 0.1100 0.2740 0.2446 ( 4324 PWs) bands (ev): -1.7525 -1.7525 -1.7525 -1.7525 -0.6577 -0.6577 -0.6577 -0.6577 5.5218 5.5218 5.5218 5.5218 6.3953 6.3953 6.3953 6.3953 7.8088 7.8088 7.8088 7.8088 7.9092 7.9092 7.9092 7.9092 8.1763 8.1763 8.1763 8.1763 8.6504 8.6504 8.6504 8.6504 8.9721 8.9721 8.9721 8.9721 10.3128 10.3128 10.3128 10.3128 12.1609 12.1609 12.1609 12.1609 k = 0.1000 0.2740 0.2446 ( 4312 PWs) bands (ev): -1.7800 -1.7800 -1.7800 -1.7800 -0.6885 -0.6885 -0.6885 -0.6885 5.5007 5.5007 5.5007 5.5007 6.3904 6.3904 6.3904 6.3904 7.8011 7.8011 7.8011 7.8011 7.9375 7.9375 7.9375 7.9375 8.1780 8.1780 8.1780 8.1780 8.6360 8.6360 8.6360 8.6360 8.9684 8.9684 8.9684 8.9684 10.3136 10.3136 10.3136 10.3136 12.3087 12.3087 12.3087 12.3087 k = 0.0900 0.2740 0.2446 ( 4316 PWs) bands (ev): -1.8050 -1.8050 -1.8050 -1.8050 -0.7163 -0.7163 -0.7163 -0.7163 5.4813 5.4813 5.4813 5.4813 6.3851 6.3851 6.3851 6.3851 7.7931 7.7931 7.7931 7.7931 7.9675 7.9675 7.9675 7.9675 8.1795 8.1795 8.1795 8.1795 8.6155 8.6155 8.6155 8.6155 8.9667 8.9667 8.9667 8.9667 10.3139 10.3139 10.3139 10.3139 12.4375 12.4375 12.4375 12.4375 k = 0.0800 0.2740 0.2446 ( 4312 PWs) bands (ev): -1.8274 -1.8274 -1.8274 -1.8274 -0.7413 -0.7413 -0.7413 -0.7413 5.4638 5.4638 5.4638 5.4638 6.3796 6.3796 6.3796 6.3796 7.7853 7.7853 7.7853 7.7853 7.9989 7.9989 7.9989 7.9989 8.1810 8.1810 8.1810 8.1810 8.5898 8.5898 8.5898 8.5898 8.9665 8.9665 8.9665 8.9665 10.3138 10.3138 10.3138 10.3138 12.5332 12.5332 12.5332 12.5332 k = 0.0700 0.2740 0.2446 ( 4312 PWs) bands (ev): -1.8472 -1.8472 -1.8472 -1.8472 -0.7633 -0.7633 -0.7633 -0.7633 5.4481 5.4481 5.4481 5.4481 6.3743 6.3743 6.3743 6.3743 7.7779 7.7779 7.7779 7.7779 8.0313 8.0313 8.0313 8.0313 8.1825 8.1825 8.1825 8.1825 8.5601 8.5601 8.5601 8.5601 8.9674 8.9674 8.9674 8.9674 10.3135 10.3135 10.3135 10.3135 12.5928 12.5928 12.5928 12.5928 k = 0.0600 0.2740 0.2446 ( 4316 PWs) bands (ev): -1.8643 -1.8643 -1.8643 -1.8643 -0.7824 -0.7824 -0.7824 -0.7824 5.4344 5.4344 5.4344 5.4344 6.3692 6.3692 6.3692 6.3692 7.7711 7.7711 7.7711 7.7711 8.0642 8.0642 8.0642 8.0642 8.1844 8.1844 8.1844 8.1844 8.5273 8.5273 8.5273 8.5273 8.9690 8.9690 8.9690 8.9690 10.3131 10.3131 10.3131 10.3131 12.6267 12.6267 12.6267 12.6267 k = 0.0500 0.2740 0.2446 ( 4312 PWs) bands (ev): -1.8789 -1.8789 -1.8789 -1.8789 -0.7986 -0.7986 -0.7986 -0.7986 5.4228 5.4228 5.4228 5.4228 6.3647 6.3647 6.3647 6.3647 7.7653 7.7653 7.7653 7.7653 8.0968 8.0968 8.0968 8.0968 8.1875 8.1875 8.1875 8.1875 8.4922 8.4922 8.4922 8.4922 8.9709 8.9709 8.9709 8.9709 10.3127 10.3127 10.3127 10.3127 12.6455 12.6455 12.6455 12.6455 k = 0.0400 0.2740 0.2446 ( 4312 PWs) bands (ev): -1.8908 -1.8908 -1.8908 -1.8908 -0.8118 -0.8118 -0.8118 -0.8118 5.4132 5.4132 5.4132 5.4132 6.3608 6.3608 6.3608 6.3608 7.7603 7.7603 7.7603 7.7603 8.1269 8.1269 8.1269 8.1269 8.1938 8.1938 8.1938 8.1938 8.4556 8.4556 8.4556 8.4556 8.9728 8.9728 8.9728 8.9728 10.3122 10.3122 10.3122 10.3122 12.6560 12.6560 12.6560 12.6560 k = 0.0300 0.2740 0.2446 ( 4308 PWs) bands (ev): -1.9000 -1.9000 -1.9000 -1.9000 -0.8221 -0.8221 -0.8221 -0.8221 5.4057 5.4057 5.4057 5.4057 6.3576 6.3576 6.3576 6.3576 7.7564 7.7564 7.7564 7.7564 8.1494 8.1494 8.1494 8.1494 8.2083 8.2083 8.2083 8.2083 8.4180 8.4180 8.4180 8.4180 8.9744 8.9744 8.9744 8.9744 10.3119 10.3119 10.3119 10.3119 12.6620 12.6620 12.6620 12.6620 k = 0.0200 0.2740 0.2446 ( 4300 PWs) bands (ev): -1.9067 -1.9067 -1.9067 -1.9067 -0.8295 -0.8295 -0.8295 -0.8295 5.4003 5.4003 5.4003 5.4003 6.3553 6.3553 6.3553 6.3553 7.7536 7.7536 7.7536 7.7536 8.1609 8.1609 8.1609 8.1609 8.2344 8.2344 8.2344 8.2344 8.3799 8.3799 8.3799 8.3799 8.9757 8.9757 8.9757 8.9757 10.3116 10.3116 10.3116 10.3116 12.6653 12.6653 12.6653 12.6653 k = 0.0100 0.2740 0.2446 ( 4300 PWs) bands (ev): -1.9106 -1.9106 -1.9106 -1.9106 -0.8339 -0.8339 -0.8339 -0.8339 5.3971 5.3971 5.3971 5.3971 6.3539 6.3539 6.3539 6.3539 7.7518 7.7518 7.7518 7.7518 8.1653 8.1653 8.1653 8.1653 8.2677 8.2677 8.2677 8.2677 8.3417 8.3417 8.3417 8.3417 8.9765 8.9765 8.9765 8.9765 10.3114 10.3114 10.3114 10.3114 12.6669 12.6669 12.6669 12.6669 k = 0.0000 0.2740 0.2446 ( 4292 PWs) bands (ev): -1.9120 -1.9120 -1.9120 -1.9120 -0.8354 -0.8354 -0.8354 -0.8354 5.3960 5.3960 5.3960 5.3960 6.3534 6.3534 6.3534 6.3534 7.7513 7.7513 7.7513 7.7513 8.1665 8.1665 8.1665 8.1665 8.3031 8.3031 8.3031 8.3031 8.3050 8.3050 8.3050 8.3050 8.9768 8.9768 8.9768 8.9768 10.3113 10.3113 10.3113 10.3113 12.6674 12.6674 12.6674 12.6674 k = 0.0000 0.2740 0.2446 ( 4292 PWs) bands (ev): -1.9120 -1.9120 -1.9120 -1.9120 -0.8354 -0.8354 -0.8354 -0.8354 5.3960 5.3960 5.3960 5.3960 6.3534 6.3534 6.3534 6.3534 7.7513 7.7513 7.7513 7.7513 8.1665 8.1665 8.1665 8.1665 8.3031 8.3031 8.3031 8.3031 8.3050 8.3050 8.3050 8.3050 8.9768 8.9768 8.9768 8.9768 10.3113 10.3113 10.3113 10.3113 12.6674 12.6674 12.6674 12.6674 k = 0.0000 0.2639 0.2446 ( 4292 PWs) bands (ev): -1.9158 -1.9158 -1.9158 -1.9158 -0.8295 -0.8295 -0.8295 -0.8295 5.3893 5.3893 5.3893 5.3893 6.3590 6.3590 6.3590 6.3590 7.7414 7.7414 7.7414 7.7414 8.1595 8.1595 8.1595 8.1595 8.2952 8.2952 8.2952 8.2952 8.3244 8.3244 8.3244 8.3244 8.9766 8.9766 8.9766 8.9766 10.3149 10.3149 10.3149 10.3149 12.6736 12.6736 12.6736 12.6736 k = 0.0000 0.2537 0.2446 ( 4292 PWs) bands (ev): -1.9269 -1.9269 -1.9269 -1.9269 -0.8123 -0.8123 -0.8123 -0.8123 5.3695 5.3695 5.3695 5.3695 6.3754 6.3754 6.3754 6.3754 7.7125 7.7125 7.7125 7.7125 8.1443 8.1443 8.1443 8.1443 8.2929 8.2929 8.2929 8.2929 8.3552 8.3552 8.3552 8.3552 8.9760 8.9760 8.9760 8.9760 10.3254 10.3254 10.3254 10.3254 12.6916 12.6916 12.6916 12.6916 k = 0.0000 0.2436 0.2446 ( 4302 PWs) bands (ev): -1.9446 -1.9446 -1.9446 -1.9446 -0.7844 -0.7844 -0.7844 -0.7844 5.3379 5.3379 5.3379 5.3379 6.4010 6.4010 6.4010 6.4010 7.6666 7.6666 7.6666 7.6666 8.1289 8.1289 8.1289 8.1289 8.2934 8.2934 8.2934 8.2934 8.3910 8.3910 8.3910 8.3910 8.9749 8.9749 8.9749 8.9749 10.3423 10.3423 10.3423 10.3423 12.7208 12.7208 12.7208 12.7208 k = 0.0000 0.2334 0.2446 ( 4298 PWs) bands (ev): -1.9679 -1.9679 -1.9679 -1.9679 -0.7470 -0.7470 -0.7470 -0.7470 5.2962 5.2962 5.2962 5.2962 6.4338 6.4338 6.4338 6.4338 7.6069 7.6069 7.6069 7.6069 8.1167 8.1167 8.1167 8.1167 8.2952 8.2952 8.2952 8.2952 8.4279 8.4279 8.4279 8.4279 8.9735 8.9735 8.9735 8.9735 10.3647 10.3647 10.3647 10.3647 12.7595 12.7595 12.7595 12.7595 k = 0.0000 0.2233 0.2446 ( 4290 PWs) bands (ev): -1.9955 -1.9955 -1.9955 -1.9955 -0.7013 -0.7013 -0.7013 -0.7013 5.2462 5.2462 5.2462 5.2462 6.4716 6.4716 6.4716 6.4716 7.5373 7.5373 7.5373 7.5373 8.1082 8.1082 8.1082 8.1082 8.2980 8.2980 8.2980 8.2980 8.4641 8.4641 8.4641 8.4641 8.9717 8.9717 8.9717 8.9717 10.3918 10.3918 10.3918 10.3918 12.8054 12.8054 12.8054 12.8054 k = 0.0000 0.2131 0.2446 ( 4290 PWs) bands (ev): -2.0263 -2.0263 -2.0263 -2.0263 -0.6486 -0.6486 -0.6486 -0.6486 5.1895 5.1895 5.1895 5.1895 6.5121 6.5121 6.5121 6.5121 7.4616 7.4616 7.4616 7.4616 8.1027 8.1027 8.1027 8.1027 8.3016 8.3016 8.3016 8.3016 8.4988 8.4988 8.4988 8.4988 8.9695 8.9695 8.9695 8.9695 10.4225 10.4225 10.4225 10.4225 12.8543 12.8543 12.8543 12.8543 k = 0.0000 0.2030 0.2446 ( 4290 PWs) bands (ev): -2.0593 -2.0593 -2.0593 -2.0593 -0.5901 -0.5901 -0.5901 -0.5901 5.1273 5.1273 5.1273 5.1273 6.5528 6.5528 6.5528 6.5528 7.3835 7.3835 7.3835 7.3835 8.0995 8.0995 8.0995 8.0995 8.3058 8.3058 8.3058 8.3058 8.5318 8.5318 8.5318 8.5318 8.9670 8.9670 8.9670 8.9670 10.4559 10.4559 10.4559 10.4559 12.9000 12.9000 12.9000 12.9000 k = 0.0000 0.1928 0.2446 ( 4300 PWs) bands (ev): -2.0936 -2.0936 -2.0936 -2.0936 -0.5267 -0.5267 -0.5267 -0.5267 5.0606 5.0606 5.0606 5.0606 6.5910 6.5910 6.5910 6.5910 7.3066 7.3066 7.3066 7.3066 8.0979 8.0979 8.0979 8.0979 8.3106 8.3106 8.3106 8.3106 8.5632 8.5632 8.5632 8.5632 8.9641 8.9641 8.9641 8.9641 10.4913 10.4913 10.4913 10.4913 12.9326 12.9326 12.9326 12.9326 k = 0.0000 0.1827 0.2446 ( 4298 PWs) bands (ev): -2.1285 -2.1285 -2.1285 -2.1285 -0.4595 -0.4595 -0.4595 -0.4595 4.9903 4.9903 4.9903 4.9903 6.6234 6.6234 6.6234 6.6234 7.2354 7.2354 7.2354 7.2354 8.0977 8.0977 8.0977 8.0977 8.3158 8.3158 8.3158 8.3158 8.5932 8.5932 8.5932 8.5932 8.9609 8.9609 8.9609 8.9609 10.5282 10.5282 10.5282 10.5282 12.9420 12.9420 12.9420 12.9420 k = 0.0000 0.1725 0.2446 ( 4302 PWs) bands (ev): -2.1633 -2.1633 -2.1633 -2.1633 -0.3891 -0.3891 -0.3891 -0.3891 4.9171 4.9171 4.9171 4.9171 6.6455 6.6455 6.6455 6.6455 7.1748 7.1748 7.1748 7.1748 8.0984 8.0984 8.0984 8.0984 8.3216 8.3216 8.3216 8.3216 8.6223 8.6223 8.6223 8.6223 8.9575 8.9575 8.9575 8.9575 10.5663 10.5663 10.5663 10.5663 12.9261 12.9261 12.9261 12.9261 k = 0.0000 0.1624 0.2446 ( 4312 PWs) bands (ev): -2.1976 -2.1976 -2.1976 -2.1976 -0.3165 -0.3165 -0.3165 -0.3165 4.8415 4.8415 4.8415 4.8415 6.6520 6.6520 6.6520 6.6520 7.1308 7.1308 7.1308 7.1308 8.0999 8.0999 8.0999 8.0999 8.3279 8.3279 8.3279 8.3279 8.6505 8.6505 8.6505 8.6505 8.9539 8.9539 8.9539 8.9539 10.6054 10.6054 10.6054 10.6054 12.8928 12.8928 12.8928 12.8928 k = 0.0000 0.1522 0.2446 ( 4314 PWs) bands (ev): -2.2310 -2.2310 -2.2310 -2.2310 -0.2422 -0.2422 -0.2422 -0.2422 4.7641 4.7641 4.7641 4.7641 6.6390 6.6390 6.6390 6.6390 7.1075 7.1075 7.1075 7.1075 8.1019 8.1019 8.1019 8.1019 8.3344 8.3344 8.3344 8.3344 8.6783 8.6783 8.6783 8.6783 8.9502 8.9502 8.9502 8.9502 10.6455 10.6455 10.6455 10.6455 12.8507 12.8507 12.8507 12.8507 k = 0.0000 0.1421 0.2446 ( 4314 PWs) bands (ev): -2.2631 -2.2631 -2.2631 -2.2631 -0.1670 -0.1670 -0.1670 -0.1670 4.6854 4.6854 4.6854 4.6854 6.6075 6.6075 6.6075 6.6075 7.1045 7.1045 7.1045 7.1045 8.1043 8.1043 8.1043 8.1043 8.3412 8.3412 8.3412 8.3412 8.7057 8.7057 8.7057 8.7057 8.9465 8.9465 8.9465 8.9465 10.6868 10.6868 10.6868 10.6868 12.8044 12.8044 12.8044 12.8044 k = 0.0000 0.1319 0.2446 ( 4322 PWs) bands (ev): -2.2937 -2.2937 -2.2937 -2.2937 -0.0915 -0.0915 -0.0915 -0.0915 4.6060 4.6060 4.6060 4.6060 6.5630 6.5630 6.5630 6.5630 7.1165 7.1165 7.1165 7.1165 8.1070 8.1070 8.1070 8.1070 8.3482 8.3482 8.3482 8.3482 8.7327 8.7327 8.7327 8.7327 8.9429 8.9429 8.9429 8.9429 10.7296 10.7296 10.7296 10.7296 12.7560 12.7560 12.7560 12.7560 k = 0.0000 0.1218 0.2446 ( 4318 PWs) bands (ev): -2.3227 -2.3227 -2.3227 -2.3227 -0.0165 -0.0165 -0.0165 -0.0165 4.5267 4.5267 4.5267 4.5267 6.5116 6.5116 6.5116 6.5116 7.1375 7.1375 7.1375 7.1375 8.1098 8.1098 8.1098 8.1098 8.3553 8.3553 8.3553 8.3553 8.7593 8.7593 8.7593 8.7593 8.9395 8.9395 8.9395 8.9395 10.7741 10.7741 10.7741 10.7741 12.7058 12.7058 12.7058 12.7058 k = 0.0000 0.1116 0.2446 ( 4316 PWs) bands (ev): -2.3498 -2.3498 -2.3498 -2.3498 0.0575 0.0575 0.0575 0.0575 4.4481 4.4481 4.4481 4.4481 6.4581 6.4581 6.4581 6.4581 7.1629 7.1629 7.1629 7.1629 8.1128 8.1128 8.1128 8.1128 8.3625 8.3625 8.3625 8.3625 8.7851 8.7851 8.7851 8.7851 8.9368 8.9368 8.9368 8.9368 10.8208 10.8208 10.8208 10.8208 12.6533 12.6533 12.6533 12.6533 k = 0.0000 0.1015 0.2446 ( 4312 PWs) bands (ev): -2.3748 -2.3748 -2.3748 -2.3748 0.1296 0.1296 0.1296 0.1296 4.3711 4.3711 4.3711 4.3711 6.4055 6.4055 6.4055 6.4055 7.1897 7.1897 7.1897 7.1897 8.1158 8.1158 8.1158 8.1158 8.3695 8.3695 8.3695 8.3695 8.8096 8.8096 8.8096 8.8096 8.9349 8.9349 8.9349 8.9349 10.8700 10.8700 10.8700 10.8700 12.5968 12.5968 12.5968 12.5968 k = 0.0000 0.0913 0.2446 ( 4314 PWs) bands (ev): -2.3978 -2.3978 -2.3978 -2.3978 0.1989 0.1989 0.1989 0.1989 4.2965 4.2965 4.2965 4.2965 6.3557 6.3557 6.3557 6.3557 7.2161 7.2161 7.2161 7.2161 8.1187 8.1187 8.1187 8.1187 8.3762 8.3762 8.3762 8.3762 8.8317 8.8317 8.8317 8.8317 8.9347 8.9347 8.9347 8.9347 10.9221 10.9221 10.9221 10.9221 12.5336 12.5336 12.5336 12.5336 k = 0.0000 0.0812 0.2446 ( 4314 PWs) bands (ev): -2.4186 -2.4186 -2.4186 -2.4186 0.2648 0.2648 0.2648 0.2648 4.2254 4.2254 4.2254 4.2254 6.3098 6.3098 6.3098 6.3098 7.2410 7.2410 7.2410 7.2410 8.1215 8.1215 8.1215 8.1215 8.3827 8.3827 8.3827 8.3827 8.8504 8.8504 8.8504 8.8504 8.9372 8.9372 8.9372 8.9372 10.9773 10.9773 10.9773 10.9773 12.4612 12.4612 12.4612 12.4612 k = 0.0000 0.0710 0.2446 ( 4312 PWs) bands (ev): -2.4370 -2.4370 -2.4370 -2.4370 0.3261 0.3261 0.3261 0.3261 4.1588 4.1588 4.1588 4.1588 6.2686 6.2686 6.2686 6.2686 7.2638 7.2638 7.2638 7.2638 8.1241 8.1241 8.1241 8.1241 8.3887 8.3887 8.3887 8.3887 8.8641 8.8641 8.8641 8.8641 8.9433 8.9433 8.9433 8.9433 11.0358 11.0358 11.0358 11.0358 12.3787 12.3787 12.3787 12.3787 k = 0.0000 0.0609 0.2446 ( 4314 PWs) bands (ev): -2.4531 -2.4531 -2.4531 -2.4531 0.3821 0.3821 0.3821 0.3821 4.0980 4.0980 4.0980 4.0980 6.2324 6.2324 6.2324 6.2324 7.2839 7.2839 7.2839 7.2839 8.1264 8.1264 8.1264 8.1264 8.3941 8.3941 8.3941 8.3941 8.8725 8.8725 8.8725 8.8725 8.9532 8.9532 8.9532 8.9532 11.0976 11.0976 11.0976 11.0976 12.2878 12.2878 12.2878 12.2878 k = 0.0000 0.0507 0.2446 ( 4318 PWs) bands (ev): -2.4669 -2.4669 -2.4669 -2.4669 0.4316 0.4316 0.4316 0.4316 4.0439 4.0439 4.0439 4.0439 6.2016 6.2016 6.2016 6.2016 7.3011 7.3011 7.3011 7.3011 8.1285 8.1285 8.1285 8.1285 8.3989 8.3989 8.3989 8.3989 8.8767 8.8767 8.8767 8.8767 8.9653 8.9653 8.9653 8.9653 11.1625 11.1625 11.1625 11.1625 12.1920 12.1920 12.1920 12.1920 k = 0.0000 0.0406 0.2446 ( 4318 PWs) bands (ev): -2.4781 -2.4781 -2.4781 -2.4781 0.4738 0.4738 0.4738 0.4738 3.9978 3.9978 3.9978 3.9978 6.1763 6.1763 6.1763 6.1763 7.3153 7.3153 7.3153 7.3153 8.1302 8.1302 8.1302 8.1302 8.4030 8.4030 8.4030 8.4030 8.8784 8.8784 8.8784 8.8784 8.9775 8.9775 8.9775 8.9775 11.2296 11.2296 11.2296 11.2296 12.0957 12.0957 12.0957 12.0957 k = 0.0000 0.0304 0.2446 ( 4326 PWs) bands (ev): -2.4869 -2.4869 -2.4869 -2.4869 0.5077 0.5077 0.5077 0.5077 3.9607 3.9607 3.9607 3.9607 6.1565 6.1565 6.1565 6.1565 7.3263 7.3263 7.3263 7.3263 8.1316 8.1316 8.1316 8.1316 8.4062 8.4062 8.4062 8.4062 8.8788 8.8788 8.8788 8.8788 8.9882 8.9882 8.9882 8.9882 11.2969 11.2969 11.2969 11.2969 12.0033 12.0033 12.0033 12.0033 k = 0.0000 0.0203 0.2446 ( 4326 PWs) bands (ev): -2.4932 -2.4932 -2.4932 -2.4932 0.5326 0.5326 0.5326 0.5326 3.9335 3.9335 3.9335 3.9335 6.1424 6.1424 6.1424 6.1424 7.3343 7.3343 7.3343 7.3343 8.1326 8.1326 8.1326 8.1326 8.4086 8.4086 8.4086 8.4086 8.8787 8.8787 8.8787 8.8787 8.9965 8.9965 8.9965 8.9965 11.3601 11.3601 11.3601 11.3601 11.9209 11.9209 11.9209 11.9209 k = 0.0000 0.0101 0.2446 ( 4322 PWs) bands (ev): -2.4970 -2.4970 -2.4970 -2.4970 0.5478 0.5478 0.5478 0.5478 3.9168 3.9168 3.9168 3.9168 6.1339 6.1339 6.1339 6.1339 7.3390 7.3390 7.3390 7.3390 8.1332 8.1332 8.1332 8.1332 8.4101 8.4101 8.4101 8.4101 8.8786 8.8786 8.8786 8.8786 9.0017 9.0017 9.0017 9.0017 11.4099 11.4099 11.4099 11.4099 11.8593 11.8593 11.8593 11.8593 k = 0.0000 0.0000 0.2446 ( 4326 PWs) bands (ev): -2.4983 -2.4983 -2.4983 -2.4983 0.5529 0.5529 0.5529 0.5529 3.9112 3.9112 3.9112 3.9112 6.1310 6.1310 6.1310 6.1310 7.3406 7.3406 7.3406 7.3406 8.1334 8.1334 8.1334 8.1334 8.4106 8.4106 8.4106 8.4106 8.8785 8.8785 8.8785 8.8785 9.0034 9.0034 9.0034 9.0034 11.4300 11.4300 11.4300 11.4300 11.8351 11.8351 11.8351 11.8351 k = 0.0000 0.2740-0.0000 ( 4336 PWs) bands (ev): -2.2994 -2.2994 -2.2994 -2.2994 0.0958 0.0958 0.0958 0.0958 3.5711 3.5711 3.5711 3.5711 7.0152 7.0152 7.0152 7.0152 7.4745 7.4745 7.4745 7.4745 8.2467 8.2467 8.2467 8.2467 8.3872 8.3872 8.3872 8.3872 8.8651 8.8651 8.8651 8.8651 8.9264 8.9264 8.9264 8.9264 12.0132 12.0132 12.0132 12.0132 12.5347 12.5347 12.5347 12.5347 k = 0.0000 0.2740 0.0098 ( 4338 PWs) bands (ev): -2.2983 -2.2983 -2.2983 -2.2983 0.0919 0.0919 0.0919 0.0919 3.5770 3.5770 3.5770 3.5770 7.0140 7.0140 7.0140 7.0140 7.4762 7.4762 7.4762 7.4762 8.2466 8.2466 8.2466 8.2466 8.3870 8.3870 8.3870 8.3870 8.8621 8.8621 8.8621 8.8621 8.9266 8.9266 8.9266 8.9266 11.9957 11.9957 11.9957 11.9957 12.5490 12.5490 12.5490 12.5490 k = 0.0000 0.2740 0.0196 ( 4332 PWs) bands (ev): -2.2951 -2.2951 -2.2951 -2.2951 0.0804 0.0804 0.0804 0.0804 3.5945 3.5945 3.5945 3.5945 7.0105 7.0105 7.0105 7.0105 7.4814 7.4814 7.4814 7.4814 8.2462 8.2462 8.2462 8.2462 8.3863 8.3863 8.3863 8.3863 8.8531 8.8531 8.8531 8.8531 8.9272 8.9272 8.9272 8.9272 11.9485 11.9485 11.9485 11.9485 12.5865 12.5865 12.5865 12.5865 k = 0.0000 0.2740 0.0293 ( 4324 PWs) bands (ev): -2.2898 -2.2898 -2.2898 -2.2898 0.0615 0.0615 0.0615 0.0615 3.6234 3.6234 3.6234 3.6234 7.0046 7.0046 7.0046 7.0046 7.4898 7.4898 7.4898 7.4898 8.2456 8.2456 8.2456 8.2456 8.3851 8.3851 8.3851 8.3851 8.8382 8.8382 8.8382 8.8382 8.9283 8.9283 8.9283 8.9283 11.8815 11.8815 11.8815 11.8815 12.6361 12.6361 12.6361 12.6361 k = 0.0000 0.2740 0.0391 ( 4328 PWs) bands (ev): -2.2825 -2.2825 -2.2825 -2.2825 0.0357 0.0357 0.0357 0.0357 3.6631 3.6631 3.6631 3.6631 6.9965 6.9965 6.9965 6.9965 7.5012 7.5012 7.5012 7.5012 8.2448 8.2448 8.2448 8.2448 8.3835 8.3835 8.3835 8.3835 8.8177 8.8177 8.8177 8.8177 8.9297 8.9297 8.9297 8.9297 11.8029 11.8029 11.8029 11.8029 12.6889 12.6889 12.6889 12.6889 k = 0.0000 0.2740 0.0489 ( 4324 PWs) bands (ev): -2.2731 -2.2731 -2.2731 -2.2731 0.0036 0.0036 0.0036 0.0036 3.7131 3.7131 3.7131 3.7131 6.9863 6.9863 6.9863 6.9863 7.5154 7.5154 7.5154 7.5154 8.2436 8.2436 8.2436 8.2436 8.3813 8.3813 8.3813 8.3813 8.7918 8.7918 8.7918 8.7918 8.9315 8.9315 8.9315 8.9315 11.7172 11.7172 11.7172 11.7172 12.7387 12.7387 12.7387 12.7387 k = 0.0000 0.2740 0.0587 ( 4312 PWs) bands (ev): -2.2616 -2.2616 -2.2616 -2.2616 -0.0342 -0.0342 -0.0342 -0.0342 3.7726 3.7726 3.7726 3.7726 6.9741 6.9741 6.9741 6.9741 7.5322 7.5322 7.5322 7.5322 8.2422 8.2422 8.2422 8.2422 8.3787 8.3787 8.3787 8.3787 8.7611 8.7611 8.7611 8.7611 8.9337 8.9337 8.9337 8.9337 11.6274 11.6274 11.6274 11.6274 12.7823 12.7823 12.7823 12.7823 k = 0.0000 0.2740 0.0685 ( 4302 PWs) bands (ev): -2.2483 -2.2483 -2.2483 -2.2483 -0.0768 -0.0768 -0.0768 -0.0768 3.8408 3.8408 3.8408 3.8408 6.9599 6.9599 6.9599 6.9599 7.5512 7.5512 7.5512 7.5512 8.2405 8.2405 8.2405 8.2405 8.3755 8.3755 8.3755 8.3755 8.7261 8.7261 8.7261 8.7261 8.9361 8.9361 8.9361 8.9361 11.5350 11.5350 11.5350 11.5350 12.8180 12.8180 12.8180 12.8180 k = 0.0000 0.2740 0.0783 ( 4318 PWs) bands (ev): -2.2331 -2.2331 -2.2331 -2.2331 -0.1236 -0.1236 -0.1236 -0.1236 3.9168 3.9168 3.9168 3.9168 6.9435 6.9435 6.9435 6.9435 7.5719 7.5719 7.5719 7.5719 8.2383 8.2383 8.2383 8.2383 8.3717 8.3717 8.3717 8.3717 8.6876 8.6876 8.6876 8.6876 8.9387 8.9387 8.9387 8.9387 11.4410 11.4410 11.4410 11.4410 12.8456 12.8456 12.8456 12.8456 k = 0.0000 0.2740 0.0880 ( 4322 PWs) bands (ev): -2.2161 -2.2161 -2.2161 -2.2161 -0.1738 -0.1738 -0.1738 -0.1738 3.9999 3.9999 3.9999 3.9999 6.9251 6.9251 6.9251 6.9251 7.5941 7.5941 7.5941 7.5941 8.2358 8.2358 8.2358 8.2358 8.3671 8.3671 8.3671 8.3671 8.6463 8.6463 8.6463 8.6463 8.9416 8.9416 8.9416 8.9416 11.3463 11.3463 11.3463 11.3463 12.8651 12.8651 12.8651 12.8651 k = 0.0000 0.2740 0.0978 ( 4316 PWs) bands (ev): -2.1974 -2.1974 -2.1974 -2.1974 -0.2265 -0.2265 -0.2265 -0.2265 4.0891 4.0891 4.0891 4.0891 6.9044 6.9044 6.9044 6.9044 7.6174 7.6174 7.6174 7.6174 8.2327 8.2327 8.2327 8.2327 8.3617 8.3617 8.3617 8.3617 8.6036 8.6036 8.6036 8.6036 8.9447 8.9447 8.9447 8.9447 11.2514 11.2514 11.2514 11.2514 12.8763 12.8763 12.8763 12.8763 k = 0.0000 0.2740 0.1076 ( 4320 PWs) bands (ev): -2.1772 -2.1772 -2.1772 -2.1772 -0.2810 -0.2810 -0.2810 -0.2810 4.1836 4.1836 4.1836 4.1836 6.8812 6.8812 6.8812 6.8812 7.6414 7.6414 7.6414 7.6414 8.2289 8.2289 8.2289 8.2289 8.3552 8.3552 8.3552 8.3552 8.5608 8.5608 8.5608 8.5608 8.9478 8.9478 8.9478 8.9478 11.1569 11.1569 11.1569 11.1569 12.8792 12.8792 12.8792 12.8792 k = 0.0000 0.2740 0.1174 ( 4320 PWs) bands (ev): -2.1556 -2.1556 -2.1556 -2.1556 -0.3366 -0.3366 -0.3366 -0.3366 4.2825 4.2825 4.2825 4.2825 6.8552 6.8552 6.8552 6.8552 7.6655 7.6655 7.6655 7.6655 8.2241 8.2241 8.2241 8.2241 8.3471 8.3471 8.3471 8.3471 8.5194 8.5194 8.5194 8.5194 8.9510 8.9510 8.9510 8.9510 11.0635 11.0635 11.0635 11.0635 12.8739 12.8739 12.8739 12.8739 k = 0.0000 0.2740 0.1272 ( 4320 PWs) bands (ev): -2.1329 -2.1329 -2.1329 -2.1329 -0.3927 -0.3927 -0.3927 -0.3927 4.3849 4.3849 4.3849 4.3849 6.8263 6.8263 6.8263 6.8263 7.6890 7.6890 7.6890 7.6890 8.2179 8.2179 8.2179 8.2179 8.3373 8.3373 8.3373 8.3373 8.4817 8.4817 8.4817 8.4817 8.9542 8.9542 8.9542 8.9542 10.9718 10.9718 10.9718 10.9718 12.8614 12.8614 12.8614 12.8614 k = 0.0000 0.2740 0.1370 ( 4320 PWs) bands (ev): -2.1092 -2.1092 -2.1092 -2.1092 -0.4484 -0.4484 -0.4484 -0.4484 4.4900 4.4900 4.4900 4.4900 6.7940 6.7940 6.7940 6.7940 7.7113 7.7113 7.7113 7.7113 8.2098 8.2098 8.2098 8.2098 8.3257 8.3257 8.3257 8.3257 8.4493 8.4493 8.4493 8.4493 8.9572 8.9572 8.9572 8.9572 10.8825 10.8825 10.8825 10.8825 12.8431 12.8431 12.8431 12.8431 k = 0.0000 0.2740 0.1467 ( 4312 PWs) bands (ev): -2.0849 -2.0849 -2.0849 -2.0849 -0.5032 -0.5032 -0.5032 -0.5032 4.5968 4.5968 4.5968 4.5968 6.7582 6.7582 6.7582 6.7582 7.7314 7.7314 7.7314 7.7314 8.1996 8.1996 8.1996 8.1996 8.3130 8.3130 8.3130 8.3130 8.4234 8.4234 8.4234 8.4234 8.9603 8.9603 8.9603 8.9603 10.7965 10.7965 10.7965 10.7965 12.8212 12.8212 12.8212 12.8212 k = 0.0000 0.2740 0.1565 ( 4304 PWs) bands (ev): -2.0602 -2.0602 -2.0602 -2.0602 -0.5564 -0.5564 -0.5564 -0.5564 4.7043 4.7043 4.7043 4.7043 6.7186 6.7186 6.7186 6.7186 7.7483 7.7483 7.7483 7.7483 8.1877 8.1877 8.1877 8.1877 8.3011 8.3011 8.3011 8.3011 8.4035 8.4035 8.4035 8.4035 8.9631 8.9631 8.9631 8.9631 10.7146 10.7146 10.7146 10.7146 12.7975 12.7975 12.7975 12.7975 k = 0.0000 0.2740 0.1663 ( 4304 PWs) bands (ev): -2.0356 -2.0356 -2.0356 -2.0356 -0.6072 -0.6072 -0.6072 -0.6072 4.8115 4.8115 4.8115 4.8115 6.6752 6.6752 6.6752 6.6752 7.7609 7.7609 7.7609 7.7609 8.1755 8.1755 8.1755 8.1755 8.2914 8.2914 8.2914 8.2914 8.3880 8.3880 8.3880 8.3880 8.9658 8.9658 8.9658 8.9658 10.6377 10.6377 10.6377 10.6377 12.7735 12.7735 12.7735 12.7735 k = 0.0000 0.2740 0.1761 ( 4292 PWs) bands (ev): -2.0116 -2.0116 -2.0116 -2.0116 -0.6548 -0.6548 -0.6548 -0.6548 4.9169 4.9169 4.9169 4.9169 6.6283 6.6283 6.6283 6.6283 7.7687 7.7687 7.7687 7.7687 8.1652 8.1652 8.1652 8.1652 8.2847 8.2847 8.2847 8.2847 8.3754 8.3754 8.3754 8.3754 8.9683 8.9683 8.9683 8.9683 10.5668 10.5668 10.5668 10.5668 12.7506 12.7506 12.7506 12.7506 k = 0.0000 0.2740 0.1859 ( 4292 PWs) bands (ev): -1.9888 -1.9888 -1.9888 -1.9888 -0.6987 -0.6987 -0.6987 -0.6987 5.0191 5.0191 5.0191 5.0191 6.5785 6.5785 6.5785 6.5785 7.7715 7.7715 7.7715 7.7715 8.1585 8.1585 8.1585 8.1585 8.2808 8.2808 8.2808 8.2808 8.3642 8.3642 8.3642 8.3642 8.9705 8.9705 8.9705 8.9705 10.5028 10.5028 10.5028 10.5028 12.7296 12.7296 12.7296 12.7296 k = 0.0000 0.2740 0.1956 ( 4292 PWs) bands (ev): -1.9676 -1.9676 -1.9676 -1.9676 -0.7378 -0.7378 -0.7378 -0.7378 5.1158 5.1158 5.1158 5.1158 6.5271 6.5271 6.5271 6.5271 7.7702 7.7702 7.7702 7.7702 8.1560 8.1560 8.1560 8.1560 8.2794 8.2794 8.2794 8.2794 8.3538 8.3538 8.3538 8.3538 8.9724 8.9724 8.9724 8.9724 10.4466 10.4466 10.4466 10.4466 12.7112 12.7112 12.7112 12.7112 k = 0.0000 0.2740 0.2054 ( 4296 PWs) bands (ev): -1.9489 -1.9489 -1.9489 -1.9489 -0.7714 -0.7714 -0.7714 -0.7714 5.2045 5.2045 5.2045 5.2045 6.4763 6.4763 6.4763 6.4763 7.7660 7.7660 7.7660 7.7660 8.1569 8.1569 8.1569 8.1569 8.2803 8.2803 8.2803 8.2803 8.3437 8.3437 8.3437 8.3437 8.9739 8.9739 8.9739 8.9739 10.3992 10.3992 10.3992 10.3992 12.6957 12.6957 12.6957 12.6957 k = 0.0000 0.2740 0.2152 ( 4296 PWs) bands (ev): -1.9334 -1.9334 -1.9334 -1.9334 -0.7987 -0.7987 -0.7987 -0.7987 5.2816 5.2816 5.2816 5.2816 6.4290 6.4290 6.4290 6.4290 7.7607 7.7607 7.7607 7.7607 8.1598 8.1598 8.1598 8.1598 8.2834 8.2834 8.2834 8.2834 8.3336 8.3336 8.3336 8.3336 8.9751 8.9751 8.9751 8.9751 10.3613 10.3613 10.3613 10.3613 12.6834 12.6834 12.6834 12.6834 k = 0.0000 0.2740 0.2250 ( 4312 PWs) bands (ev): -1.9217 -1.9217 -1.9217 -1.9217 -0.8188 -0.8188 -0.8188 -0.8188 5.3426 5.3426 5.3426 5.3426 6.3896 6.3896 6.3896 6.3896 7.7558 7.7558 7.7558 7.7558 8.1630 8.1630 8.1630 8.1630 8.2885 8.2885 8.2885 8.2885 8.3234 8.3234 8.3234 8.3234 8.9760 8.9760 8.9760 8.9760 10.3337 10.3337 10.3337 10.3337 12.6746 12.6746 12.6746 12.6746 k = 0.0000 0.2740 0.2348 ( 4300 PWs) bands (ev): -1.9144 -1.9144 -1.9144 -1.9144 -0.8312 -0.8312 -0.8312 -0.8312 5.3822 5.3822 5.3822 5.3822 6.3629 6.3629 6.3629 6.3629 7.7525 7.7525 7.7525 7.7525 8.1656 8.1656 8.1656 8.1656 8.2955 8.2955 8.2955 8.2955 8.3135 8.3135 8.3135 8.3135 8.9766 8.9766 8.9766 8.9766 10.3170 10.3170 10.3170 10.3170 12.6692 12.6692 12.6692 12.6692 k = 0.0000 0.2740 0.2446 ( 4292 PWs) bands (ev): -1.9120 -1.9120 -1.9120 -1.9120 -0.8354 -0.8354 -0.8354 -0.8354 5.3960 5.3960 5.3960 5.3960 6.3534 6.3534 6.3534 6.3534 7.7513 7.7513 7.7513 7.7513 8.1665 8.1665 8.1665 8.1665 8.3031 8.3031 8.3031 8.3031 8.3050 8.3050 8.3050 8.3050 8.9768 8.9768 8.9768 8.9768 10.3113 10.3113 10.3113 10.3113 12.6674 12.6674 12.6674 12.6674 k = 0.5000-0.0000 0.2446 ( 4244 PWs) bands (ev): 0.1609 0.1609 0.1691 0.1691 1.6599 1.6599 1.6850 1.6850 4.1035 4.1035 4.2096 4.2096 6.0968 6.0968 6.2221 6.2221 6.4966 6.4966 6.6096 6.6096 7.0166 7.0166 7.1034 7.1034 8.1181 8.1181 8.1189 8.1189 8.4006 8.4006 8.4148 8.4148 8.8147 8.8147 8.8670 8.8670 9.5069 9.5069 9.5262 9.5262 9.9573 9.9573 9.9891 9.9891 k = 0.5000-0.0000 0.2348 ( 4252 PWs) bands (ev): 0.1596 0.1596 0.1678 0.1678 1.6623 1.6623 1.6874 1.6874 4.1040 4.1040 4.2098 4.2098 6.0929 6.0929 6.2177 6.2177 6.4999 6.4999 6.6131 6.6131 7.0175 7.0175 7.1035 7.1035 8.1175 8.1175 8.1188 8.1188 8.3996 8.3996 8.4120 8.4120 8.8111 8.8111 8.8619 8.8619 9.5082 9.5082 9.5267 9.5267 9.9624 9.9624 9.9933 9.9933 k = 0.5000-0.0000 0.2250 ( 4250 PWs) bands (ev): 0.1558 0.1558 0.1639 0.1639 1.6695 1.6695 1.6946 1.6946 4.1053 4.1053 4.2106 4.2106 6.0817 6.0817 6.2052 6.2052 6.5093 6.5093 6.6232 6.6232 7.0203 7.0203 7.1037 7.1037 8.1157 8.1157 8.1184 8.1184 8.3964 8.3964 8.4034 8.4034 8.8013 8.8013 8.8476 8.8476 9.5118 9.5118 9.5281 9.5281 9.9774 9.9774 10.0057 10.0057 k = 0.5000-0.0000 0.2152 ( 4254 PWs) bands (ev): 0.1495 0.1495 0.1575 0.1575 1.6812 1.6812 1.7063 1.7063 4.1076 4.1076 4.2118 4.2118 6.0638 6.0638 6.1860 6.1860 6.5232 6.5232 6.6391 6.6391 7.0249 7.0249 7.1041 7.1041 8.1117 8.1117 8.1172 8.1172 8.3888 8.3888 8.3909 8.3909 8.7877 8.7877 8.8268 8.8268 9.5168 9.5168 9.5301 9.5301 10.0010 10.0010 10.0255 10.0255 k = 0.5000-0.0000 0.2054 ( 4262 PWs) bands (ev): 0.1410 0.1410 0.1488 0.1488 1.6972 1.6972 1.7223 1.7223 4.1110 4.1110 4.2136 4.2136 6.0406 6.0406 6.1615 6.1615 6.5404 6.5404 6.6597 6.6597 7.0310 7.0310 7.1045 7.1045 8.1046 8.1046 8.1138 8.1138 8.3682 8.3682 8.3829 8.3829 8.7738 8.7738 8.8033 8.8033 9.5224 9.5224 9.5324 9.5324 10.0317 10.0317 10.0514 10.0514 k = 0.5000-0.0000 0.1956 ( 4262 PWs) bands (ev): 0.1306 0.1306 0.1382 0.1382 1.7173 1.7173 1.7423 1.7423 4.1153 4.1153 4.2160 4.2160 6.0130 6.0130 6.1331 6.1331 6.5595 6.5595 6.6838 6.6838 7.0384 7.0384 7.1049 7.1049 8.0923 8.0923 8.1063 8.1063 8.3432 8.3432 8.3728 8.3728 8.7624 8.7624 8.7809 8.7809 9.5280 9.5280 9.5347 9.5347 10.0677 10.0677 10.0820 10.0820 k = 0.5000-0.0000 0.1859 ( 4260 PWs) bands (ev): 0.1184 0.1184 0.1258 0.1258 1.7409 1.7409 1.7659 1.7659 4.1208 4.1208 4.2191 4.2191 5.9821 5.9821 6.1018 6.1018 6.5796 6.5796 6.7102 6.7102 7.0468 7.0468 7.1053 7.1053 8.0727 8.0727 8.0912 8.0912 8.3177 8.3177 8.3619 8.3619 8.7555 8.7555 8.7629 8.7629 9.5331 9.5331 9.5370 9.5370 10.1073 10.1073 10.1160 10.1160 k = 0.5000-0.0000 0.1761 ( 4268 PWs) bands (ev): 0.1048 0.1048 0.1119 0.1119 1.7676 1.7676 1.7925 1.7925 4.1274 4.1274 4.2230 4.2230 5.9487 5.9487 6.0681 6.0681 6.6002 6.6002 6.7382 6.7382 7.0560 7.0560 7.1054 7.1054 8.0436 8.0436 8.0645 8.0645 8.2968 8.2968 8.3522 8.3522 8.7514 8.7514 8.7537 8.7537 9.5376 9.5376 9.5392 9.5392 10.1489 10.1489 10.1522 10.1522 k = 0.5000-0.0000 0.1663 ( 4268 PWs) bands (ev): 0.0902 0.0902 0.0970 0.0970 1.7969 1.7969 1.8216 1.8216 4.1353 4.1353 4.2278 4.2278 5.9134 5.9134 6.0325 6.0325 6.6208 6.6208 6.7670 6.7670 7.0655 7.0655 7.1053 7.1053 8.0040 8.0040 8.0245 8.0245 8.2845 8.2845 8.3458 8.3458 8.7468 8.7468 8.7569 8.7569 9.5412 9.5412 9.5414 9.5414 10.1895 10.1895 10.1915 10.1915 k = 0.5000-0.0000 0.1565 ( 4272 PWs) bands (ev): 0.0748 0.0748 0.0813 0.0813 1.8284 1.8284 1.8528 1.8528 4.1445 4.1445 4.2335 4.2335 5.8768 5.8768 5.9954 5.9954 6.6411 6.6411 6.7961 6.7961 7.0751 7.0751 7.1048 7.1048 7.9546 7.9546 7.9731 7.9731 8.2808 8.2808 8.3437 8.3437 8.7486 8.7486 8.7644 8.7644 9.5432 9.5432 9.5447 9.5447 10.2273 10.2273 10.2342 10.2342 k = 0.5000-0.0000 0.1467 ( 4264 PWs) bands (ev): 0.0590 0.0590 0.0652 0.0652 1.8614 1.8614 1.8855 1.8855 4.1551 4.1551 4.2402 4.2402 5.8392 5.8392 5.9570 5.9570 6.6609 6.6609 6.8248 6.8248 7.0846 7.0846 7.1039 7.1039 7.8977 7.8977 7.9141 7.9141 8.2839 8.2839 8.3458 8.3458 8.7559 8.7559 8.7753 8.7753 9.5452 9.5452 9.5475 9.5475 10.2650 10.2650 10.2766 10.2766 k = 0.5000-0.0000 0.1370 ( 4268 PWs) bands (ev): 0.0431 0.0431 0.0488 0.0488 1.8955 1.8955 1.9191 1.9191 4.1672 4.1672 4.2480 4.2480 5.8011 5.8011 5.9174 5.9174 6.6800 6.6800 6.8527 6.8527 7.0935 7.0935 7.1024 7.1024 7.8358 7.8358 7.8515 7.8515 8.2917 8.2917 8.3514 8.3514 8.7676 8.7676 8.7890 8.7890 9.5472 9.5472 9.5499 9.5499 10.3024 10.3024 10.3181 10.3181 k = 0.5000-0.0000 0.1272 ( 4272 PWs) bands (ev): 0.0272 0.0272 0.0326 0.0326 1.9301 1.9301 1.9531 1.9531 4.1808 4.1808 4.2570 4.2570 5.7626 5.7626 5.8769 5.8769 6.6980 6.6980 6.8792 6.8792 7.1004 7.1004 7.1018 7.1018 7.7716 7.7716 7.7880 7.7880 8.3026 8.3026 8.3596 8.3596 8.7826 8.7826 8.8045 8.8045 9.5493 9.5493 9.5521 9.5521 10.3392 10.3392 10.3587 10.3587 k = 0.5000-0.0000 0.1174 ( 4272 PWs) bands (ev): 0.0117 0.0117 0.0167 0.0167 1.9647 1.9647 1.9869 1.9869 4.1959 4.1959 4.2672 4.2672 5.7242 5.7242 5.8355 5.8355 6.7150 6.7150 6.9038 6.9038 7.0980 7.0980 7.1093 7.1093 7.7073 7.7073 7.7258 7.7258 8.3156 8.3156 8.3696 8.3696 8.7999 8.7999 8.8215 8.8215 9.5514 9.5514 9.5540 9.5540 10.3755 10.3755 10.3981 10.3981 k = 0.5000-0.0000 0.1076 ( 4272 PWs) bands (ev): -0.0033 -0.0033 0.0014 0.0014 1.9988 1.9988 2.0201 2.0201 4.2124 4.2124 4.2784 4.2784 5.6860 5.6860 5.7936 5.7936 6.7307 6.7307 6.9256 6.9256 7.0954 7.0954 7.1158 7.1158 7.6448 7.6448 7.6666 7.6666 8.3302 8.3302 8.3809 8.3809 8.8187 8.8187 8.8392 8.8392 9.5537 9.5537 9.5559 9.5559 10.4112 10.4112 10.4365 10.4365 k = 0.5000-0.0000 0.0978 ( 4278 PWs) bands (ev): -0.0175 -0.0175 -0.0132 -0.0132 2.0320 2.0320 2.0521 2.0521 4.2302 4.2302 4.2907 4.2907 5.6486 5.6486 5.7513 5.7513 6.7451 6.7451 6.9436 6.9436 7.0932 7.0932 7.1213 7.1213 7.5857 7.5857 7.6115 7.6115 8.3457 8.3457 8.3929 8.3929 8.8383 8.8383 8.8571 8.8571 9.5561 9.5561 9.5577 9.5577 10.4464 10.4464 10.4736 10.4736 k = 0.5000-0.0000 0.0880 ( 4270 PWs) bands (ev): -0.0308 -0.0308 -0.0269 -0.0269 2.0636 2.0636 2.0825 2.0825 4.2491 4.2491 4.3038 4.3038 5.6122 5.6122 5.7091 5.7091 6.7581 6.7581 6.9564 6.9564 7.0925 7.0925 7.1258 7.1258 7.5315 7.5315 7.5614 7.5614 8.3616 8.3616 8.4052 8.4052 8.8580 8.8580 8.8747 8.8747 9.5585 9.5585 9.5595 9.5595 10.4810 10.4810 10.5096 10.5096 k = 0.5000-0.0000 0.0783 ( 4266 PWs) bands (ev): -0.0430 -0.0430 -0.0396 -0.0396 2.0934 2.0934 2.1108 2.1108 4.2689 4.2689 4.3176 4.3176 5.5774 5.5774 5.6673 5.6673 6.7697 6.7697 6.9623 6.9623 7.0945 7.0945 7.1295 7.1295 7.4832 7.4832 7.5168 7.5168 8.3776 8.3776 8.4171 8.4171 8.8772 8.8772 8.8916 8.8916 9.5610 9.5610 9.5614 9.5614 10.5151 10.5151 10.5443 10.5443 k = 0.5000-0.0000 0.0685 ( 4270 PWs) bands (ev): -0.0540 -0.0540 -0.0510 -0.0510 2.1209 2.1209 2.1366 2.1366 4.2890 4.2890 4.3316 4.3316 5.5447 5.5447 5.6265 5.6265 6.7801 6.7801 6.9607 6.9607 7.0996 7.0996 7.1325 7.1325 7.4416 7.4416 7.4778 7.4778 8.3932 8.3932 8.4285 8.4285 8.8952 8.8952 8.9074 8.9074 9.5632 9.5632 9.5635 9.5635 10.5485 10.5485 10.5776 10.5776 k = 0.5000-0.0000 0.0587 ( 4270 PWs) bands (ev): -0.0638 -0.0638 -0.0612 -0.0612 2.1457 2.1457 2.1596 2.1596 4.3090 4.3090 4.3454 4.3454 5.5148 5.5148 5.5875 5.5875 6.7895 6.7895 6.9523 6.9523 7.1072 7.1072 7.1349 7.1349 7.4072 7.4072 7.4443 7.4443 8.4081 8.4081 8.4388 8.4388 8.9118 8.9118 8.9217 8.9217 9.5651 9.5651 9.5658 9.5658 10.5809 10.5809 10.6090 10.6090 k = 0.5000-0.0000 0.0489 ( 4264 PWs) bands (ev): -0.0721 -0.0721 -0.0700 -0.0700 2.1675 2.1675 2.1794 2.1794 4.3283 4.3283 4.3584 4.3584 5.4886 5.4886 5.5510 5.5510 6.7986 6.7986 6.9389 6.9389 7.1160 7.1160 7.1370 7.1370 7.3800 7.3800 7.4160 7.4160 8.4218 8.4218 8.4478 8.4478 8.9265 8.9265 8.9342 8.9342 9.5670 9.5670 9.5680 9.5680 10.6118 10.6118 10.6380 10.6380 k = 0.5000-0.0000 0.0391 ( 4268 PWs) bands (ev): -0.0790 -0.0790 -0.0773 -0.0773 2.1860 2.1860 2.1957 2.1957 4.3461 4.3461 4.3700 4.3700 5.4667 5.4667 5.5180 5.5180 6.8076 6.8076 6.9224 6.9224 7.1244 7.1244 7.1389 7.1389 7.3599 7.3599 7.3925 7.3925 8.4341 8.4341 8.4552 8.4552 8.9389 8.9389 8.9447 8.9447 9.5688 9.5688 9.5699 9.5699 10.6405 10.6405 10.6638 10.6638 k = 0.5000-0.0000 0.0293 ( 4272 PWs) bands (ev): -0.0844 -0.0844 -0.0831 -0.0831 2.2009 2.2009 2.2083 2.2083 4.3617 4.3617 4.3795 4.3795 5.4501 5.4501 5.4894 5.4894 6.8171 6.8171 6.9045 6.9045 7.1317 7.1317 7.1406 7.1406 7.3464 7.3464 7.3734 7.3734 8.4446 8.4446 8.4606 8.4606 8.9488 8.9488 8.9529 8.9529 9.5703 9.5703 9.5714 9.5714 10.6661 10.6661 10.6852 10.6852 k = 0.5000-0.0000 0.0196 ( 4270 PWs) bands (ev): -0.0882 -0.0882 -0.0873 -0.0873 2.2121 2.2121 2.2171 2.2171 4.3743 4.3743 4.3860 4.3860 5.4395 5.4395 5.4662 5.4662 6.8278 6.8278 6.8865 6.8865 7.1371 7.1371 7.1419 7.1419 7.3389 7.3389 7.3583 7.3583 8.4531 8.4531 8.4638 8.4638 8.9562 8.9562 8.9588 8.9588 9.5717 9.5717 9.5724 9.5724 10.6871 10.6871 10.7008 10.7008 k = 0.5000-0.0000 0.0098 ( 4270 PWs) bands (ev): -0.0904 -0.0904 -0.0900 -0.0900 2.2194 2.2194 2.2219 2.2219 4.3833 4.3833 4.3891 4.3891 5.4357 5.4357 5.4491 5.4491 6.8399 6.8399 6.8694 6.8694 7.1406 7.1406 7.1426 7.1426 7.3369 7.3369 7.3471 7.3471 8.4594 8.4594 8.4648 8.4648 8.9608 8.9608 8.9621 8.9621 9.5726 9.5726 9.5730 9.5730 10.7021 10.7021 10.7093 10.7093 k = 0.5000-0.0000-0.0000 ( 4278 PWs) bands (ev): -0.0910 -0.0910 -0.0910 -0.0910 2.2226 2.2226 2.2226 2.2226 4.3882 4.3882 4.3882 4.3882 5.4388 5.4388 5.4388 5.4388 6.8538 6.8538 6.8538 6.8538 7.1423 7.1423 7.1423 7.1423 7.3398 7.3398 7.3398 7.3398 8.4633 8.4633 8.4633 8.4633 8.9628 8.9628 8.9628 8.9628 9.5730 9.5730 9.5730 9.5730 10.7097 10.7097 10.7097 10.7097 k = 0.5000 0.2740-0.0000 ( 4288 PWs) bands (ev): 0.1070 0.1070 0.1152 0.1152 1.9225 1.9225 1.9302 1.9302 4.6468 4.6468 4.7482 4.7482 4.9542 4.9542 4.9554 4.9554 6.3895 6.3895 6.4792 6.4792 7.0150 7.0150 7.0461 7.0461 7.3301 7.3301 7.5185 7.5185 8.4493 8.4493 8.4778 8.4778 8.8515 8.8515 8.8753 8.8753 9.7047 9.7047 9.7233 9.7233 10.4978 10.4978 10.5547 10.5547 k = 0.5000 0.2740 0.0098 ( 4280 PWs) bands (ev): 0.1076 0.1076 0.1158 0.1158 1.9225 1.9225 1.9302 1.9302 4.6413 4.6413 4.7422 4.7422 4.9519 4.9519 4.9528 4.9528 6.3981 6.3981 6.4869 6.4869 7.0159 7.0159 7.0468 7.0468 7.3314 7.3314 7.5191 7.5191 8.4502 8.4502 8.4784 8.4784 8.8526 8.8526 8.8762 8.8762 9.7045 9.7045 9.7233 9.7233 10.4993 10.4993 10.5560 10.5560 k = 0.5000 0.2740 0.0196 ( 4284 PWs) bands (ev): 0.1095 0.1095 0.1176 0.1176 1.9224 1.9224 1.9302 1.9302 4.6252 4.6252 4.7245 4.7245 4.9447 4.9447 4.9451 4.9451 6.4235 6.4235 6.5098 6.5098 7.0183 7.0183 7.0486 7.0486 7.3355 7.3355 7.5211 7.5211 8.4526 8.4526 8.4799 8.4799 8.8556 8.8556 8.8785 8.8785 9.7039 9.7039 9.7230 9.7230 10.5039 10.5039 10.5599 10.5599 k = 0.5000 0.2740 0.0293 ( 4292 PWs) bands (ev): 0.1125 0.1125 0.1206 0.1206 1.9223 1.9223 1.9302 1.9302 4.5997 4.5997 4.6966 4.6966 4.9314 4.9314 4.9336 4.9336 6.4643 6.4643 6.5468 6.5468 7.0223 7.0223 7.0518 7.0518 7.3419 7.3419 7.5242 7.5242 8.4565 8.4565 8.4825 8.4825 8.8607 8.8607 8.8825 8.8825 9.7027 9.7027 9.7225 9.7225 10.5116 10.5116 10.5665 10.5665 k = 0.5000 0.2740 0.0391 ( 4296 PWs) bands (ev): 0.1167 0.1167 0.1248 0.1248 1.9221 1.9221 1.9301 1.9301 4.5662 4.5662 4.6601 4.6601 4.9132 4.9132 4.9176 4.9176 6.5186 6.5186 6.5961 6.5961 7.0284 7.0284 7.0563 7.0563 7.3506 7.3506 7.5282 7.5282 8.4619 8.4619 8.4860 8.4860 8.8677 8.8677 8.8880 8.8880 9.7011 9.7011 9.7218 9.7218 10.5225 10.5225 10.5758 10.5758 k = 0.5000 0.2740 0.0489 ( 4304 PWs) bands (ev): 0.1221 0.1221 0.1301 0.1301 1.9218 1.9218 1.9299 1.9299 4.5265 4.5265 4.6172 4.6172 4.8902 4.8902 4.8972 4.8972 6.5842 6.5842 6.6559 6.6559 7.0367 7.0367 7.0625 7.0625 7.3609 7.3609 7.5328 7.5328 8.4685 8.4685 8.4904 8.4904 8.8768 8.8768 8.8951 8.8951 9.6990 9.6990 9.7208 9.7208 10.5369 10.5369 10.5881 10.5881 k = 0.5000 0.2740 0.0587 ( 4304 PWs) bands (ev): 0.1285 0.1285 0.1364 0.1364 1.9214 1.9214 1.9295 1.9295 4.4825 4.4825 4.5698 4.5698 4.8631 4.8631 4.8727 4.8727 6.6586 6.6586 6.7234 6.7234 7.0480 7.0480 7.0705 7.0705 7.3726 7.3726 7.5378 7.5378 8.4761 8.4761 8.4955 8.4955 8.8879 8.8879 8.9036 8.9036 9.6964 9.6964 9.7197 9.7197 10.5549 10.5549 10.6036 10.6036 k = 0.5000 0.2740 0.0685 ( 4296 PWs) bands (ev): 0.1360 0.1360 0.1437 0.1437 1.9207 1.9207 1.9290 1.9290 4.4357 4.4357 4.5196 4.5196 4.8323 4.8323 4.8445 4.8445 6.7394 6.7394 6.7955 6.7955 7.0638 7.0638 7.0809 7.0809 7.3852 7.3852 7.5429 7.5429 8.4845 8.4845 8.5013 8.5013 8.9008 8.9008 8.9136 8.9136 9.6932 9.6932 9.7182 9.7182 10.5769 10.5769 10.6225 10.6225 k = 0.5000 0.2740 0.0783 ( 4300 PWs) bands (ev): 0.1443 0.1443 0.1519 0.1519 1.9198 1.9198 1.9282 1.9282 4.3876 4.3876 4.4681 4.4681 4.7983 4.7983 4.8131 4.8131 6.8234 6.8234 6.8673 6.8673 7.0871 7.0871 7.0947 7.0947 7.3986 7.3986 7.5481 7.5481 8.4933 8.4933 8.5073 8.5073 8.9155 8.9155 8.9249 8.9249 9.6895 9.6895 9.7163 9.7163 10.6031 10.6031 10.6450 10.6450 k = 0.5000 0.2740 0.0880 ( 4296 PWs) bands (ev): 0.1535 0.1535 0.1609 0.1609 1.9186 1.9186 1.9272 1.9272 4.3393 4.3393 4.4166 4.4166 4.7619 4.7619 4.7790 4.7790 6.9062 6.9062 6.9314 6.9314 7.1142 7.1142 7.1233 7.1233 7.4130 7.4130 7.5534 7.5534 8.5023 8.5023 8.5138 8.5138 8.9318 8.9318 8.9372 8.9372 9.6851 9.6851 9.7141 9.7141 10.6336 10.6336 10.6712 10.6712 k = 0.5000 0.2740 0.0978 ( 4284 PWs) bands (ev): 0.1634 0.1634 0.1706 0.1706 1.9171 1.9171 1.9257 1.9257 4.2920 4.2920 4.3662 4.3662 4.7235 4.7235 4.7429 4.7429 6.9802 6.9802 6.9806 6.9806 7.1445 7.1445 7.1777 7.1777 7.4290 7.4290 7.5594 7.5594 8.5112 8.5112 8.5203 8.5203 8.9495 8.9495 8.9505 8.9505 9.6801 9.6801 9.7113 9.7113 10.6686 10.6686 10.7015 10.7015 k = 0.5000 0.2740 0.1076 ( 4280 PWs) bands (ev): 0.1739 0.1739 0.1809 0.1809 1.9153 1.9153 1.9239 1.9239 4.2465 4.2465 4.3177 4.3177 4.6838 4.6838 4.7052 4.7052 7.0147 7.0147 7.0358 7.0358 7.1917 7.1917 7.2474 7.2474 7.4486 7.4486 7.5674 7.5674 8.5196 8.5196 8.5266 8.5266 8.9645 8.9645 8.9682 8.9682 9.6743 9.6743 9.7079 9.7079 10.7083 10.7083 10.7358 10.7358 k = 0.5000 0.2740 0.1174 ( 4280 PWs) bands (ev): 0.1848 0.1848 0.1915 0.1915 1.9131 1.9131 1.9217 1.9217 4.2034 4.2034 4.2717 4.2717 4.6434 4.6434 4.6664 4.6664 7.0396 7.0396 7.0717 7.0717 7.2511 7.2511 7.3221 7.3221 7.4762 7.4762 7.5807 7.5807 8.5273 8.5273 8.5326 8.5326 8.9790 8.9790 8.9879 8.9879 9.6678 9.6678 9.7038 9.7038 10.7526 10.7526 10.7743 10.7743 k = 0.5000 0.2740 0.1272 ( 4280 PWs) bands (ev): 0.1960 0.1960 0.2024 0.2024 1.9106 1.9106 1.9190 1.9190 4.1634 4.1634 4.2287 4.2287 4.6027 4.6027 4.6272 4.6272 7.0599 7.0599 7.0965 7.0965 7.3055 7.3055 7.3887 7.3887 7.5194 7.5194 7.6064 7.6064 8.5340 8.5340 8.5381 8.5381 8.9939 8.9939 9.0081 9.0081 9.6605 9.6605 9.6988 9.6988 10.8013 10.8013 10.8168 10.8168 k = 0.5000 0.2740 0.1370 ( 4268 PWs) bands (ev): 0.2073 0.2073 0.2134 0.2134 1.9077 1.9077 1.9160 1.9160 4.1269 4.1269 4.1892 4.1892 4.5624 4.5624 4.5880 4.5880 7.0780 7.0780 7.1164 7.1164 7.3426 7.3426 7.4343 7.4343 7.5829 7.5829 7.6539 7.6539 8.5396 8.5396 8.5431 8.5431 9.0090 9.0090 9.0287 9.0287 9.6523 9.6523 9.6929 9.6929 10.8541 10.8541 10.8632 10.8632 k = 0.5000 0.2740 0.1467 ( 4268 PWs) bands (ev): 0.2185 0.2185 0.2243 0.2243 1.9045 1.9045 1.9126 1.9126 4.0942 4.0942 4.1534 4.1534 4.5231 4.5231 4.5494 4.5494 7.0951 7.0951 7.1343 7.1343 7.3634 7.3634 7.4566 7.4566 7.6617 7.6617 7.7232 7.7232 8.5437 8.5437 8.5470 8.5470 9.0242 9.0242 9.0493 9.0493 9.6432 9.6432 9.6859 9.6859 10.9104 10.9104 10.9131 10.9131 k = 0.5000 0.2740 0.1565 ( 4272 PWs) bands (ev): 0.2296 0.2296 0.2349 0.2349 1.9012 1.9012 1.9088 1.9088 4.0656 4.0656 4.1213 4.1213 4.4852 4.4852 4.5118 4.5118 7.1117 7.1117 7.1511 7.1511 7.3740 7.3740 7.4639 7.4639 7.7478 7.7478 7.8044 7.8044 8.5462 8.5462 8.5499 8.5499 9.0394 9.0394 9.0697 9.0697 9.6334 9.6334 9.6776 9.6776 10.9658 10.9658 10.9695 10.9695 k = 0.5000 0.2740 0.1663 ( 4272 PWs) bands (ev): 0.2402 0.2402 0.2450 0.2450 1.8977 1.8977 1.9049 1.9049 4.0412 4.0412 4.0932 4.0932 4.4494 4.4494 4.4758 4.4758 7.1280 7.1280 7.1672 7.1672 7.3787 7.3787 7.4631 7.4631 7.8353 7.8353 7.8890 7.8890 8.5468 8.5468 8.5514 8.5514 9.0548 9.0548 9.0896 9.0896 9.6228 9.6228 9.6682 9.6682 11.0204 11.0204 11.0300 11.0300 k = 0.5000 0.2740 0.1761 ( 4276 PWs) bands (ev): 0.2501 0.2501 0.2545 0.2545 1.8942 1.8942 1.9008 1.9008 4.0209 4.0209 4.0688 4.0688 4.4162 4.4162 4.4418 4.4418 7.1440 7.1440 7.1827 7.1827 7.3797 7.3797 7.4578 7.4578 7.9209 7.9209 7.9723 7.9723 8.5454 8.5454 8.5513 8.5513 9.0704 9.0704 9.1087 9.1087 9.6118 9.6118 9.6574 9.6574 11.0760 11.0760 11.0907 11.0907 k = 0.5000 0.2740 0.1859 ( 4268 PWs) bands (ev): 0.2593 0.2593 0.2632 0.2632 1.8909 1.8909 1.8968 1.8968 4.0049 4.0049 4.0479 4.0479 4.3862 4.3862 4.4104 4.4104 7.1596 7.1596 7.1972 7.1972 7.3786 7.3786 7.4497 7.4497 8.0023 8.0023 8.0513 8.0513 8.5417 8.5417 8.5494 8.5494 9.0863 9.0863 9.1265 9.1265 9.6007 9.6007 9.6455 9.6455 11.1311 11.1311 11.1497 11.1497 k = 0.5000 0.2740 0.1956 ( 4268 PWs) bands (ev): 0.2675 0.2675 0.2708 0.2708 1.8879 1.8879 1.8930 1.8930 3.9928 3.9928 4.0304 4.0304 4.3599 4.3599 4.3820 4.3820 7.1748 7.1748 7.2105 7.2105 7.3766 7.3766 7.4399 7.4399 8.0778 8.0778 8.1239 8.1239 8.5357 8.5357 8.5453 8.5453 9.1024 9.1024 9.1426 9.1426 9.5901 9.5901 9.6326 9.6326 11.1839 11.1839 11.2047 11.2047 k = 0.5000 0.2740 0.2054 ( 4272 PWs) bands (ev): 0.2745 0.2745 0.2772 0.2772 1.8853 1.8853 1.8895 1.8895 3.9844 3.9844 4.0159 4.0159 4.3381 4.3381 4.3571 4.3571 7.1893 7.1893 7.2217 7.2217 7.3745 7.3745 7.4289 7.4289 8.1459 8.1459 8.1881 8.1881 8.5275 8.5275 8.5389 8.5389 9.1184 9.1184 9.1561 9.1561 9.5808 9.5808 9.6191 9.6191 11.2325 11.2325 11.2535 11.2535 k = 0.5000 0.2740 0.2152 ( 4268 PWs) bands (ev): 0.2802 0.2802 0.2823 0.2823 1.8832 1.8832 1.8864 1.8864 3.9795 3.9795 4.0040 4.0040 4.3212 4.3212 4.3364 4.3364 7.2028 7.2028 7.2302 7.2302 7.3736 7.3736 7.4173 7.4173 8.2052 8.2052 8.2418 8.2418 8.5178 8.5178 8.5302 8.5302 9.1339 9.1339 9.1662 9.1662 9.5737 9.5737 9.6056 9.6056 11.2746 11.2746 11.2934 11.2934 k = 0.5000 0.2740 0.2250 ( 4264 PWs) bands (ev): 0.2845 0.2845 0.2859 0.2859 1.8818 1.8818 1.8840 1.8840 3.9776 3.9776 3.9944 3.9944 4.3096 4.3096 4.3203 4.3203 7.2148 7.2148 7.2350 7.2350 7.3748 7.3748 7.4059 7.4059 8.2539 8.2539 8.2823 8.2823 8.5082 8.5082 8.5199 8.5199 9.1482 9.1482 9.1720 9.1720 9.5698 9.5698 9.5929 9.5929 11.3081 11.3081 11.3223 11.3223 k = 0.5000 0.2740 0.2348 ( 4276 PWs) bands (ev): 0.2872 0.2872 0.2879 0.2879 1.8812 1.8812 1.8823 1.8823 3.9784 3.9784 3.9870 3.9870 4.3037 4.3037 4.3092 4.3092 7.2247 7.2247 7.2355 7.2355 7.3789 7.3789 7.3951 7.3951 8.2895 8.2895 8.3056 8.3056 8.5019 8.5019 8.5095 8.5095 9.1602 9.1602 9.1729 9.1729 9.5698 9.5698 9.5820 9.5820 11.3309 11.3309 11.3385 11.3385 k = 0.5000 0.2740 0.2446 ( 4288 PWs) bands (ev): 0.2884 0.2884 0.2884 0.2884 1.8813 1.8813 1.8813 1.8813 3.9816 3.9816 3.9816 3.9816 4.3036 4.3036 4.3036 4.3036 7.2319 7.2319 7.2319 7.2319 7.3858 7.3858 7.3858 7.3858 8.3080 8.3080 8.3080 8.3080 8.5023 8.5023 8.5023 8.5023 9.1688 9.1688 9.1688 9.1688 9.5740 9.5740 9.5740 9.5740 11.3413 11.3413 11.3413 11.3413 Writing output data file FeSb2.save init_run : 0.53s CPU 0.83s WALL ( 1 calls) electrons : 420.52s CPU 424.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 420.52s CPU 424.62s 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 : 0.19s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 420 calls) cegterg : 392.00s CPU 395.53s WALL ( 878 calls) Called by sum_band: Called by *egterg: h_psi : 252.43s CPU 261.88s WALL ( 15099 calls) s_psi : 31.99s CPU 32.27s WALL ( 15099 calls) g_psi : 0.51s CPU 0.61s WALL ( 13801 calls) cdiaghg : 84.22s CPU 78.23s WALL ( 14221 calls) cegterg:over : 18.83s CPU 17.97s WALL ( 13801 calls) cegterg:upda : 5.28s CPU 9.09s WALL ( 13801 calls) cegterg:last : 5.53s CPU 6.71s WALL ( 2756 calls) Called by h_psi: h_psi:vloc : 214.94s CPU 221.03s WALL ( 15099 calls) h_psi:vnl : 37.39s CPU 40.46s WALL ( 15099 calls) add_vuspsi : 18.58s CPU 22.34s WALL ( 15099 calls) General routines calbec : 18.79s CPU 18.08s WALL ( 15099 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 212.17s CPU 213.92s WALL ( 1502632 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.34s WALL ( 840 calls) Parallel routines fft_scatter : 192.83s CPU 152.84s WALL ( 1502655 calls) PWSCF : 7m28.00s CPU 7m43.15s WALL This run was terminated on: 16:24:24 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=