Program PWSCF v.5.1.1 starts on 12Oct2015 at 1: 1:46 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./HgIBr.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 22 6 5177 1922 292 Max 44 23 7 5188 1955 305 Sum 2073 1081 315 248671 93053 14271 bravais-lattice index = 14 lattice parameter (alat) = 8.2485 a.u. unit-cell volume = 1734.8130 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.248536 celldm(2)= 1.000000 celldm(3)= 3.351251 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.386257 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.386257 0.922391 0.000000 ) a(3) = ( 0.000000 0.000000 3.351251 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.418756 -0.000000 ) b(2) = ( 0.000000 1.084139 -0.000000 ) b(3) = ( 0.000000 0.000000 0.298396 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Br 7.00 79.90400 Br( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops. (no inversion) found ( 1 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.6756253 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0076741 0.0115334 -0.0000000), wk = 0.0030488 k( 3) = ( 0.0153482 0.0230668 -0.0000000), wk = 0.0030488 k( 4) = ( 0.0230224 0.0346002 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0306965 0.0461336 -0.0000000), wk = 0.0030488 k( 6) = ( 0.0383706 0.0576670 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0460447 0.0692003 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0537188 0.0807337 -0.0000000), wk = 0.0030488 k( 9) = ( 0.0613929 0.0922671 -0.0000000), wk = 0.0030488 k( 10) = ( 0.0690671 0.1038005 -0.0000000), wk = 0.0030488 k( 11) = ( 0.0767412 0.1153339 -0.0000000), wk = 0.0030488 k( 12) = ( 0.0844153 0.1268673 -0.0000000), wk = 0.0030488 k( 13) = ( 0.0920894 0.1384007 -0.0000000), wk = 0.0030488 k( 14) = ( 0.0997635 0.1499341 -0.0000000), wk = 0.0030488 k( 15) = ( 0.1074376 0.1614675 -0.0000000), wk = 0.0030488 k( 16) = ( 0.1151117 0.1730009 -0.0000000), wk = 0.0030488 k( 17) = ( 0.1227859 0.1845342 -0.0000000), wk = 0.0030488 k( 18) = ( 0.1304600 0.1960676 -0.0000000), wk = 0.0030488 k( 19) = ( 0.1381341 0.2076010 -0.0000000), wk = 0.0030488 k( 20) = ( 0.1458082 0.2191344 -0.0000000), wk = 0.0030488 k( 21) = ( 0.1534823 0.2306678 -0.0000000), wk = 0.0030488 k( 22) = ( 0.1611564 0.2422012 -0.0000000), wk = 0.0030488 k( 23) = ( 0.1688306 0.2537346 -0.0000000), wk = 0.0030488 k( 24) = ( 0.1765047 0.2652680 -0.0000000), wk = 0.0030488 k( 25) = ( 0.1841788 0.2768014 -0.0000000), wk = 0.0030488 k( 26) = ( 0.1918529 0.2883348 -0.0000000), wk = 0.0030488 k( 27) = ( 0.1995270 0.2998682 -0.0000000), wk = 0.0030488 k( 28) = ( 0.2072011 0.3114015 -0.0000000), wk = 0.0030488 k( 29) = ( 0.2148753 0.3229349 -0.0000000), wk = 0.0030488 k( 30) = ( 0.2225494 0.3344683 -0.0000000), wk = 0.0030488 k( 31) = ( 0.2302235 0.3460017 -0.0000000), wk = 0.0030488 k( 32) = ( 0.2378976 0.3575351 -0.0000000), wk = 0.0030488 k( 33) = ( 0.2455717 0.3690685 -0.0000000), wk = 0.0030488 k( 34) = ( 0.2532458 0.3806019 -0.0000000), wk = 0.0030488 k( 35) = ( 0.2609200 0.3921353 -0.0000000), wk = 0.0030488 k( 36) = ( 0.2685941 0.4036687 -0.0000000), wk = 0.0030488 k( 37) = ( 0.2762682 0.4152021 -0.0000000), wk = 0.0030488 k( 38) = ( 0.2839423 0.4267355 -0.0000000), wk = 0.0030488 k( 39) = ( 0.2916164 0.4382688 -0.0000000), wk = 0.0030488 k( 40) = ( 0.2992905 0.4498022 -0.0000000), wk = 0.0030488 k( 41) = ( 0.3069647 0.4613356 -0.0000000), wk = 0.0030488 k( 42) = ( 0.3146388 0.4728690 -0.0000000), wk = 0.0030488 k( 43) = ( 0.3223129 0.4844024 -0.0000000), wk = 0.0030488 k( 44) = ( 0.3299870 0.4959358 -0.0000000), wk = 0.0030488 k( 45) = ( 0.3376611 0.5074692 -0.0000000), wk = 0.0030488 k( 46) = ( 0.3453352 0.5190026 -0.0000000), wk = 0.0030488 k( 47) = ( 0.3530093 0.5305360 -0.0000000), wk = 0.0030488 k( 48) = ( 0.3606835 0.5420694 -0.0000000), wk = 0.0030488 k( 49) = ( 0.3606835 0.5420694 -0.0000000), wk = 0.0030488 k( 50) = ( 0.3468110 0.5420694 -0.0000000), wk = 0.0030488 k( 51) = ( 0.3329386 0.5420694 -0.0000000), wk = 0.0030488 k( 52) = ( 0.3190661 0.5420694 -0.0000000), wk = 0.0030488 k( 53) = ( 0.3051937 0.5420694 -0.0000000), wk = 0.0030488 k( 54) = ( 0.2913213 0.5420694 -0.0000000), wk = 0.0030488 k( 55) = ( 0.2774488 0.5420694 -0.0000000), wk = 0.0030488 k( 56) = ( 0.2635764 0.5420694 -0.0000000), wk = 0.0030488 k( 57) = ( 0.2497039 0.5420694 -0.0000000), wk = 0.0030488 k( 58) = ( 0.2358315 0.5420694 -0.0000000), wk = 0.0030488 k( 59) = ( 0.2219591 0.5420694 -0.0000000), wk = 0.0030488 k( 60) = ( 0.2080866 0.5420694 -0.0000000), wk = 0.0030488 k( 61) = ( 0.1942142 0.5420694 -0.0000000), wk = 0.0030488 k( 62) = ( 0.1803417 0.5420694 -0.0000000), wk = 0.0030488 k( 63) = ( 0.1664693 0.5420694 -0.0000000), wk = 0.0030488 k( 64) = ( 0.1525969 0.5420694 -0.0000000), wk = 0.0030488 k( 65) = ( 0.1387244 0.5420694 -0.0000000), wk = 0.0030488 k( 66) = ( 0.1248520 0.5420694 -0.0000000), wk = 0.0030488 k( 67) = ( 0.1109795 0.5420694 -0.0000000), wk = 0.0030488 k( 68) = ( 0.0971071 0.5420694 -0.0000000), wk = 0.0030488 k( 69) = ( 0.0832346 0.5420694 -0.0000000), wk = 0.0030488 k( 70) = ( 0.0693622 0.5420694 -0.0000000), wk = 0.0030488 k( 71) = ( 0.0554898 0.5420694 -0.0000000), wk = 0.0030488 k( 72) = ( 0.0416173 0.5420694 -0.0000000), wk = 0.0030488 k( 73) = ( 0.0277449 0.5420694 -0.0000000), wk = 0.0030488 k( 74) = ( 0.0138724 0.5420694 -0.0000000), wk = 0.0030488 k( 75) = ( 0.0000000 0.5420694 -0.0000000), wk = 0.0030488 k( 76) = ( 0.0000000 0.5420694 -0.0000000), wk = 0.0030488 k( 77) = ( 0.0000000 0.5420694 0.0135635), wk = 0.0030488 k( 78) = ( 0.0000000 0.5420694 0.0271269), wk = 0.0030488 k( 79) = ( 0.0000000 0.5420694 0.0406904), wk = 0.0030488 k( 80) = ( 0.0000000 0.5420694 0.0542538), wk = 0.0030488 k( 81) = ( 0.0000000 0.5420694 0.0678173), wk = 0.0030488 k( 82) = ( 0.0000000 0.5420694 0.0813807), wk = 0.0030488 k( 83) = ( 0.0000000 0.5420694 0.0949442), wk = 0.0030488 k( 84) = ( 0.0000000 0.5420694 0.1085077), wk = 0.0030488 k( 85) = ( 0.0000000 0.5420694 0.1220711), wk = 0.0030488 k( 86) = ( 0.0000000 0.5420694 0.1356346), wk = 0.0030488 k( 87) = ( 0.0000000 0.5420694 0.1491980), wk = 0.0030488 k( 88) = ( 0.0000000 0.5420694 0.1491980), wk = 0.0030488 k( 89) = ( 0.0138724 0.5420694 0.1491980), wk = 0.0030488 k( 90) = ( 0.0277449 0.5420694 0.1491980), wk = 0.0030488 k( 91) = ( 0.0416173 0.5420694 0.1491980), wk = 0.0030488 k( 92) = ( 0.0554898 0.5420694 0.1491980), wk = 0.0030488 k( 93) = ( 0.0693622 0.5420694 0.1491980), wk = 0.0030488 k( 94) = ( 0.0832346 0.5420694 0.1491980), wk = 0.0030488 k( 95) = ( 0.0971071 0.5420694 0.1491980), wk = 0.0030488 k( 96) = ( 0.1109795 0.5420694 0.1491980), wk = 0.0030488 k( 97) = ( 0.1248520 0.5420694 0.1491980), wk = 0.0030488 k( 98) = ( 0.1387244 0.5420694 0.1491980), wk = 0.0030488 k( 99) = ( 0.1525969 0.5420694 0.1491980), wk = 0.0030488 k( 100) = ( 0.1664693 0.5420694 0.1491980), wk = 0.0030488 k( 101) = ( 0.1803417 0.5420694 0.1491980), wk = 0.0030488 k( 102) = ( 0.1942142 0.5420694 0.1491980), wk = 0.0030488 k( 103) = ( 0.2080866 0.5420694 0.1491980), wk = 0.0030488 k( 104) = ( 0.2219591 0.5420694 0.1491980), wk = 0.0030488 k( 105) = ( 0.2358315 0.5420694 0.1491980), wk = 0.0030488 k( 106) = ( 0.2497039 0.5420694 0.1491980), wk = 0.0030488 k( 107) = ( 0.2635764 0.5420694 0.1491980), wk = 0.0030488 k( 108) = ( 0.2774488 0.5420694 0.1491980), wk = 0.0030488 k( 109) = ( 0.2913213 0.5420694 0.1491980), wk = 0.0030488 k( 110) = ( 0.3051937 0.5420694 0.1491980), wk = 0.0030488 k( 111) = ( 0.3190661 0.5420694 0.1491980), wk = 0.0030488 k( 112) = ( 0.3329386 0.5420694 0.1491980), wk = 0.0030488 k( 113) = ( 0.3468110 0.5420694 0.1491980), wk = 0.0030488 k( 114) = ( 0.3606835 0.5420694 0.1491980), wk = 0.0030488 k( 115) = ( 0.3606835 0.5420694 0.1491980), wk = 0.0030488 k( 116) = ( 0.3530093 0.5305360 0.1491980), wk = 0.0030488 k( 117) = ( 0.3453352 0.5190026 0.1491980), wk = 0.0030488 k( 118) = ( 0.3376611 0.5074692 0.1491980), wk = 0.0030488 k( 119) = ( 0.3299870 0.4959358 0.1491980), wk = 0.0030488 k( 120) = ( 0.3223129 0.4844024 0.1491980), wk = 0.0030488 k( 121) = ( 0.3146388 0.4728690 0.1491980), wk = 0.0030488 k( 122) = ( 0.3069647 0.4613356 0.1491980), wk = 0.0030488 k( 123) = ( 0.2992905 0.4498022 0.1491980), wk = 0.0030488 k( 124) = ( 0.2916164 0.4382688 0.1491980), wk = 0.0030488 k( 125) = ( 0.2839423 0.4267355 0.1491980), wk = 0.0030488 k( 126) = ( 0.2762682 0.4152021 0.1491980), wk = 0.0030488 k( 127) = ( 0.2685941 0.4036687 0.1491980), wk = 0.0030488 k( 128) = ( 0.2609200 0.3921353 0.1491980), wk = 0.0030488 k( 129) = ( 0.2532458 0.3806019 0.1491980), wk = 0.0030488 k( 130) = ( 0.2455717 0.3690685 0.1491980), wk = 0.0030488 k( 131) = ( 0.2378976 0.3575351 0.1491980), wk = 0.0030488 k( 132) = ( 0.2302235 0.3460017 0.1491980), wk = 0.0030488 k( 133) = ( 0.2225494 0.3344683 0.1491980), wk = 0.0030488 k( 134) = ( 0.2148753 0.3229349 0.1491980), wk = 0.0030488 k( 135) = ( 0.2072011 0.3114015 0.1491980), wk = 0.0030488 k( 136) = ( 0.1995270 0.2998682 0.1491980), wk = 0.0030488 k( 137) = ( 0.1918529 0.2883348 0.1491980), wk = 0.0030488 k( 138) = ( 0.1841788 0.2768014 0.1491980), wk = 0.0030488 k( 139) = ( 0.1765047 0.2652680 0.1491980), wk = 0.0030488 k( 140) = ( 0.1688306 0.2537346 0.1491980), wk = 0.0030488 k( 141) = ( 0.1611564 0.2422012 0.1491980), wk = 0.0030488 k( 142) = ( 0.1534823 0.2306678 0.1491980), wk = 0.0030488 k( 143) = ( 0.1458082 0.2191344 0.1491980), wk = 0.0030488 k( 144) = ( 0.1381341 0.2076010 0.1491980), wk = 0.0030488 k( 145) = ( 0.1304600 0.1960676 0.1491980), wk = 0.0030488 k( 146) = ( 0.1227859 0.1845342 0.1491980), wk = 0.0030488 k( 147) = ( 0.1151117 0.1730009 0.1491980), wk = 0.0030488 k( 148) = ( 0.1074376 0.1614675 0.1491980), wk = 0.0030488 k( 149) = ( 0.0997635 0.1499341 0.1491980), wk = 0.0030488 k( 150) = ( 0.0920894 0.1384007 0.1491980), wk = 0.0030488 k( 151) = ( 0.0844153 0.1268673 0.1491980), wk = 0.0030488 k( 152) = ( 0.0767412 0.1153339 0.1491980), wk = 0.0030488 k( 153) = ( 0.0690671 0.1038005 0.1491980), wk = 0.0030488 k( 154) = ( 0.0613929 0.0922671 0.1491980), wk = 0.0030488 k( 155) = ( 0.0537188 0.0807337 0.1491980), wk = 0.0030488 k( 156) = ( 0.0460447 0.0692003 0.1491980), wk = 0.0030488 k( 157) = ( 0.0383706 0.0576670 0.1491980), wk = 0.0030488 k( 158) = ( 0.0306965 0.0461336 0.1491980), wk = 0.0030488 k( 159) = ( 0.0230224 0.0346002 0.1491980), wk = 0.0030488 k( 160) = ( 0.0153482 0.0230668 0.1491980), wk = 0.0030488 k( 161) = ( 0.0076741 0.0115334 0.1491980), wk = 0.0030488 k( 162) = ( 0.0000000 0.0000000 0.1491980), wk = 0.0030488 k( 163) = ( 0.0000000 0.0000000 0.1491980), wk = 0.0030488 k( 164) = ( 0.0000000 0.0000000 0.1356346), wk = 0.0030488 k( 165) = ( 0.0000000 0.0000000 0.1220711), wk = 0.0030488 k( 166) = ( 0.0000000 0.0000000 0.1085077), wk = 0.0030488 k( 167) = ( 0.0000000 0.0000000 0.0949442), wk = 0.0030488 k( 168) = ( 0.0000000 0.0000000 0.0813807), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0678173), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0542538), wk = 0.0030488 k( 171) = ( 0.0000000 0.0000000 0.0406904), wk = 0.0030488 k( 172) = ( 0.0000000 0.0000000 0.0271269), wk = 0.0030488 k( 173) = ( 0.0000000 0.0000000 0.0135635), wk = 0.0030488 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 176) = ( -0.0113636 0.0075612 0.0000000), wk = 0.0030488 k( 177) = ( -0.0227273 0.0151223 0.0000000), wk = 0.0030488 k( 178) = ( -0.0340909 0.0226835 0.0000000), wk = 0.0030488 k( 179) = ( -0.0454546 0.0302447 0.0000000), wk = 0.0030488 k( 180) = ( -0.0568182 0.0378058 0.0000000), wk = 0.0030488 k( 181) = ( -0.0681818 0.0453670 0.0000000), wk = 0.0030488 k( 182) = ( -0.0795455 0.0529282 0.0000000), wk = 0.0030488 k( 183) = ( -0.0909091 0.0604893 0.0000000), wk = 0.0030488 k( 184) = ( -0.1022727 0.0680505 0.0000000), wk = 0.0030488 k( 185) = ( -0.1136364 0.0756116 0.0000000), wk = 0.0030488 k( 186) = ( -0.1250000 0.0831728 0.0000000), wk = 0.0030488 k( 187) = ( -0.1363636 0.0907340 0.0000000), wk = 0.0030488 k( 188) = ( -0.1477273 0.0982951 0.0000000), wk = 0.0030488 k( 189) = ( -0.1590909 0.1058563 0.0000000), wk = 0.0030488 k( 190) = ( -0.1704546 0.1134175 0.0000000), wk = 0.0030488 k( 191) = ( -0.1818182 0.1209786 0.0000000), wk = 0.0030488 k( 192) = ( -0.1931818 0.1285398 0.0000000), wk = 0.0030488 k( 193) = ( -0.2045454 0.1361010 0.0000000), wk = 0.0030488 k( 194) = ( -0.2159091 0.1436621 0.0000000), wk = 0.0030488 k( 195) = ( -0.2272727 0.1512233 0.0000000), wk = 0.0030488 k( 196) = ( -0.2386364 0.1587845 0.0000000), wk = 0.0030488 k( 197) = ( -0.2500000 0.1663456 0.0000000), wk = 0.0030488 k( 198) = ( -0.2613636 0.1739068 0.0000000), wk = 0.0030488 k( 199) = ( -0.2727273 0.1814680 0.0000000), wk = 0.0030488 k( 200) = ( -0.2840909 0.1890291 0.0000000), wk = 0.0030488 k( 201) = ( -0.2954545 0.1965903 0.0000000), wk = 0.0030488 k( 202) = ( -0.3068182 0.2041514 0.0000000), wk = 0.0030488 k( 203) = ( -0.3181818 0.2117126 0.0000000), wk = 0.0030488 k( 204) = ( -0.3295455 0.2192738 0.0000000), wk = 0.0030488 k( 205) = ( -0.3409091 0.2268349 0.0000000), wk = 0.0030488 k( 206) = ( -0.3522727 0.2343961 0.0000000), wk = 0.0030488 k( 207) = ( -0.3636364 0.2419573 0.0000000), wk = 0.0030488 k( 208) = ( -0.3750000 0.2495184 0.0000000), wk = 0.0030488 k( 209) = ( -0.3863636 0.2570796 0.0000000), wk = 0.0030488 k( 210) = ( -0.3977273 0.2646408 0.0000000), wk = 0.0030488 k( 211) = ( -0.4090909 0.2722019 0.0000000), wk = 0.0030488 k( 212) = ( -0.4204545 0.2797631 0.0000000), wk = 0.0030488 k( 213) = ( -0.4318182 0.2873243 0.0000000), wk = 0.0030488 k( 214) = ( -0.4431818 0.2948854 0.0000000), wk = 0.0030488 k( 215) = ( -0.4545455 0.3024466 0.0000000), wk = 0.0030488 k( 216) = ( -0.4659091 0.3100078 0.0000000), wk = 0.0030488 k( 217) = ( -0.4772727 0.3175689 0.0000000), wk = 0.0030488 k( 218) = ( -0.4886364 0.3251301 0.0000000), wk = 0.0030488 k( 219) = ( -0.5000000 0.3326912 0.0000000), wk = 0.0030488 k( 220) = ( -0.5000000 0.3326912 0.0000000), wk = 0.0030488 k( 221) = ( -0.4926676 0.3437112 -0.0000000), wk = 0.0030488 k( 222) = ( -0.4853351 0.3547311 -0.0000000), wk = 0.0030488 k( 223) = ( -0.4780026 0.3657510 -0.0000000), wk = 0.0030488 k( 224) = ( -0.4706702 0.3767709 -0.0000000), wk = 0.0030488 k( 225) = ( -0.4633377 0.3877908 -0.0000000), wk = 0.0030488 k( 226) = ( -0.4560053 0.3988106 -0.0000000), wk = 0.0030488 k( 227) = ( -0.4486729 0.4098305 -0.0000000), wk = 0.0030488 k( 228) = ( -0.4413404 0.4208505 -0.0000000), wk = 0.0030488 k( 229) = ( -0.4340080 0.4318704 -0.0000000), wk = 0.0030488 k( 230) = ( -0.4266755 0.4428903 -0.0000000), wk = 0.0030488 k( 231) = ( -0.4193431 0.4539102 -0.0000000), wk = 0.0030488 k( 232) = ( -0.4120106 0.4649301 -0.0000000), wk = 0.0030488 k( 233) = ( -0.4046782 0.4759500 -0.0000000), wk = 0.0030488 k( 234) = ( -0.3973457 0.4869699 -0.0000000), wk = 0.0030488 k( 235) = ( -0.3900133 0.4979898 -0.0000000), wk = 0.0030488 k( 236) = ( -0.3826808 0.5090097 -0.0000000), wk = 0.0030488 k( 237) = ( -0.3753484 0.5200296 -0.0000000), wk = 0.0030488 k( 238) = ( -0.3680159 0.5310495 -0.0000000), wk = 0.0030488 k( 239) = ( -0.3606835 0.5420694 -0.0000000), wk = 0.0030488 k( 240) = ( -0.3606835 0.5420694 -0.0000000), wk = 0.0030488 k( 241) = ( -0.3606835 0.5420694 0.0135635), wk = 0.0030488 k( 242) = ( -0.3606835 0.5420694 0.0271269), wk = 0.0030488 k( 243) = ( -0.3606835 0.5420694 0.0406904), wk = 0.0030488 k( 244) = ( -0.3606835 0.5420694 0.0542538), wk = 0.0030488 k( 245) = ( -0.3606835 0.5420694 0.0678173), wk = 0.0030488 k( 246) = ( -0.3606835 0.5420694 0.0813807), wk = 0.0030488 k( 247) = ( -0.3606835 0.5420694 0.0949442), wk = 0.0030488 k( 248) = ( -0.3606835 0.5420694 0.1085077), wk = 0.0030488 k( 249) = ( -0.3606835 0.5420694 0.1220711), wk = 0.0030488 k( 250) = ( -0.3606835 0.5420694 0.1356346), wk = 0.0030488 k( 251) = ( -0.3606835 0.5420694 0.1491980), wk = 0.0030488 k( 252) = ( -0.3606835 0.5420694 0.1491980), wk = 0.0030488 k( 253) = ( -0.3680159 0.5310495 0.1491980), wk = 0.0030488 k( 254) = ( -0.3753484 0.5200296 0.1491980), wk = 0.0030488 k( 255) = ( -0.3826808 0.5090097 0.1491980), wk = 0.0030488 k( 256) = ( -0.3900133 0.4979898 0.1491980), wk = 0.0030488 k( 257) = ( -0.3973457 0.4869699 0.1491980), wk = 0.0030488 k( 258) = ( -0.4046782 0.4759500 0.1491980), wk = 0.0030488 k( 259) = ( -0.4120106 0.4649301 0.1491980), wk = 0.0030488 k( 260) = ( -0.4193431 0.4539102 0.1491980), wk = 0.0030488 k( 261) = ( -0.4266755 0.4428903 0.1491980), wk = 0.0030488 k( 262) = ( -0.4340080 0.4318704 0.1491980), wk = 0.0030488 k( 263) = ( -0.4413404 0.4208505 0.1491980), wk = 0.0030488 k( 264) = ( -0.4486729 0.4098305 0.1491980), wk = 0.0030488 k( 265) = ( -0.4560053 0.3988106 0.1491980), wk = 0.0030488 k( 266) = ( -0.4633377 0.3877908 0.1491980), wk = 0.0030488 k( 267) = ( -0.4706702 0.3767709 0.1491980), wk = 0.0030488 k( 268) = ( -0.4780026 0.3657510 0.1491980), wk = 0.0030488 k( 269) = ( -0.4853351 0.3547311 0.1491980), wk = 0.0030488 k( 270) = ( -0.4926676 0.3437112 0.1491980), wk = 0.0030488 k( 271) = ( -0.5000000 0.3326912 0.1491980), wk = 0.0030488 k( 272) = ( -0.5000000 0.3326912 0.1491980), wk = 0.0030488 k( 273) = ( -0.5000000 0.3326912 0.1356346), wk = 0.0030488 k( 274) = ( -0.5000000 0.3326912 0.1220711), wk = 0.0030488 k( 275) = ( -0.5000000 0.3326912 0.1085077), wk = 0.0030488 k( 276) = ( -0.5000000 0.3326912 0.0949442), wk = 0.0030488 k( 277) = ( -0.5000000 0.3326912 0.0813807), wk = 0.0030488 k( 278) = ( -0.5000000 0.3326912 0.0678173), wk = 0.0030488 k( 279) = ( -0.5000000 0.3326912 0.0542538), wk = 0.0030488 k( 280) = ( -0.5000000 0.3326912 0.0406904), wk = 0.0030488 k( 281) = ( -0.5000000 0.3326912 0.0271269), wk = 0.0030488 k( 282) = ( -0.5000000 0.3326912 0.0135635), wk = 0.0030488 k( 283) = ( -0.5000000 0.3326912 0.0000000), wk = 0.0030488 k( 284) = ( 0.0000000 0.0000000 0.1491980), wk = 0.0030488 k( 285) = ( -0.0113636 0.0075612 0.1491980), wk = 0.0030488 k( 286) = ( -0.0227273 0.0151223 0.1491980), wk = 0.0030488 k( 287) = ( -0.0340909 0.0226835 0.1491980), wk = 0.0030488 k( 288) = ( -0.0454546 0.0302447 0.1491980), wk = 0.0030488 k( 289) = ( -0.0568182 0.0378058 0.1491980), wk = 0.0030488 k( 290) = ( -0.0681818 0.0453670 0.1491980), wk = 0.0030488 k( 291) = ( -0.0795455 0.0529282 0.1491980), wk = 0.0030488 k( 292) = ( -0.0909091 0.0604893 0.1491980), wk = 0.0030488 k( 293) = ( -0.1022727 0.0680505 0.1491980), wk = 0.0030488 k( 294) = ( -0.1136364 0.0756116 0.1491980), wk = 0.0030488 k( 295) = ( -0.1250000 0.0831728 0.1491980), wk = 0.0030488 k( 296) = ( -0.1363636 0.0907340 0.1491980), wk = 0.0030488 k( 297) = ( -0.1477273 0.0982951 0.1491980), wk = 0.0030488 k( 298) = ( -0.1590909 0.1058563 0.1491980), wk = 0.0030488 k( 299) = ( -0.1704546 0.1134175 0.1491980), wk = 0.0030488 k( 300) = ( -0.1818182 0.1209786 0.1491980), wk = 0.0030488 k( 301) = ( -0.1931818 0.1285398 0.1491980), wk = 0.0030488 k( 302) = ( -0.2045454 0.1361010 0.1491980), wk = 0.0030488 k( 303) = ( -0.2159091 0.1436621 0.1491980), wk = 0.0030488 k( 304) = ( -0.2272727 0.1512233 0.1491980), wk = 0.0030488 k( 305) = ( -0.2386364 0.1587845 0.1491980), wk = 0.0030488 k( 306) = ( -0.2500000 0.1663456 0.1491980), wk = 0.0030488 k( 307) = ( -0.2613636 0.1739068 0.1491980), wk = 0.0030488 k( 308) = ( -0.2727273 0.1814680 0.1491980), wk = 0.0030488 k( 309) = ( -0.2840909 0.1890291 0.1491980), wk = 0.0030488 k( 310) = ( -0.2954545 0.1965903 0.1491980), wk = 0.0030488 k( 311) = ( -0.3068182 0.2041514 0.1491980), wk = 0.0030488 k( 312) = ( -0.3181818 0.2117126 0.1491980), wk = 0.0030488 k( 313) = ( -0.3295455 0.2192738 0.1491980), wk = 0.0030488 k( 314) = ( -0.3409091 0.2268349 0.1491980), wk = 0.0030488 k( 315) = ( -0.3522727 0.2343961 0.1491980), wk = 0.0030488 k( 316) = ( -0.3636364 0.2419573 0.1491980), wk = 0.0030488 k( 317) = ( -0.3750000 0.2495184 0.1491980), wk = 0.0030488 k( 318) = ( -0.3863636 0.2570796 0.1491980), wk = 0.0030488 k( 319) = ( -0.3977273 0.2646408 0.1491980), wk = 0.0030488 k( 320) = ( -0.4090909 0.2722019 0.1491980), wk = 0.0030488 k( 321) = ( -0.4204545 0.2797631 0.1491980), wk = 0.0030488 k( 322) = ( -0.4318182 0.2873243 0.1491980), wk = 0.0030488 k( 323) = ( -0.4431818 0.2948854 0.1491980), wk = 0.0030488 k( 324) = ( -0.4545455 0.3024466 0.1491980), wk = 0.0030488 k( 325) = ( -0.4659091 0.3100078 0.1491980), wk = 0.0030488 k( 326) = ( -0.4772727 0.3175689 0.1491980), wk = 0.0030488 k( 327) = ( -0.4886364 0.3251301 0.1491980), wk = 0.0030488 k( 328) = ( -0.5000000 0.3326912 0.1491980), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0076741 0.0076741 0.0000000), wk = 0.0030488 k( 3) = ( 0.0153482 0.0153482 0.0000000), wk = 0.0030488 k( 4) = ( 0.0230224 0.0230224 0.0000000), wk = 0.0030488 k( 5) = ( 0.0306965 0.0306965 0.0000000), wk = 0.0030488 k( 6) = ( 0.0383706 0.0383706 0.0000000), wk = 0.0030488 k( 7) = ( 0.0460447 0.0460447 0.0000000), wk = 0.0030488 k( 8) = ( 0.0537188 0.0537188 0.0000000), wk = 0.0030488 k( 9) = ( 0.0613929 0.0613929 0.0000000), wk = 0.0030488 k( 10) = ( 0.0690671 0.0690671 0.0000000), wk = 0.0030488 k( 11) = ( 0.0767412 0.0767412 0.0000000), wk = 0.0030488 k( 12) = ( 0.0844153 0.0844153 0.0000000), wk = 0.0030488 k( 13) = ( 0.0920894 0.0920894 0.0000000), wk = 0.0030488 k( 14) = ( 0.0997635 0.0997635 0.0000000), wk = 0.0030488 k( 15) = ( 0.1074376 0.1074376 0.0000000), wk = 0.0030488 k( 16) = ( 0.1151117 0.1151117 0.0000000), wk = 0.0030488 k( 17) = ( 0.1227859 0.1227859 0.0000000), wk = 0.0030488 k( 18) = ( 0.1304600 0.1304600 0.0000000), wk = 0.0030488 k( 19) = ( 0.1381341 0.1381341 0.0000000), wk = 0.0030488 k( 20) = ( 0.1458082 0.1458082 0.0000000), wk = 0.0030488 k( 21) = ( 0.1534823 0.1534823 0.0000000), wk = 0.0030488 k( 22) = ( 0.1611564 0.1611564 0.0000000), wk = 0.0030488 k( 23) = ( 0.1688306 0.1688306 0.0000000), wk = 0.0030488 k( 24) = ( 0.1765047 0.1765047 0.0000000), wk = 0.0030488 k( 25) = ( 0.1841788 0.1841788 0.0000000), wk = 0.0030488 k( 26) = ( 0.1918529 0.1918529 0.0000000), wk = 0.0030488 k( 27) = ( 0.1995270 0.1995270 0.0000000), wk = 0.0030488 k( 28) = ( 0.2072011 0.2072011 0.0000000), wk = 0.0030488 k( 29) = ( 0.2148753 0.2148753 0.0000000), wk = 0.0030488 k( 30) = ( 0.2225494 0.2225494 0.0000000), wk = 0.0030488 k( 31) = ( 0.2302235 0.2302235 0.0000000), wk = 0.0030488 k( 32) = ( 0.2378976 0.2378976 0.0000000), wk = 0.0030488 k( 33) = ( 0.2455717 0.2455717 0.0000000), wk = 0.0030488 k( 34) = ( 0.2532458 0.2532458 0.0000000), wk = 0.0030488 k( 35) = ( 0.2609200 0.2609200 0.0000000), wk = 0.0030488 k( 36) = ( 0.2685941 0.2685941 0.0000000), wk = 0.0030488 k( 37) = ( 0.2762682 0.2762682 0.0000000), wk = 0.0030488 k( 38) = ( 0.2839423 0.2839423 0.0000000), wk = 0.0030488 k( 39) = ( 0.2916164 0.2916164 0.0000000), wk = 0.0030488 k( 40) = ( 0.2992905 0.2992905 0.0000000), wk = 0.0030488 k( 41) = ( 0.3069647 0.3069647 0.0000000), wk = 0.0030488 k( 42) = ( 0.3146388 0.3146388 0.0000000), wk = 0.0030488 k( 43) = ( 0.3223129 0.3223129 0.0000000), wk = 0.0030488 k( 44) = ( 0.3299870 0.3299870 0.0000000), wk = 0.0030488 k( 45) = ( 0.3376611 0.3376611 0.0000000), wk = 0.0030488 k( 46) = ( 0.3453352 0.3453352 0.0000000), wk = 0.0030488 k( 47) = ( 0.3530093 0.3530093 -0.0000000), wk = 0.0030488 k( 48) = ( 0.3606835 0.3606835 0.0000000), wk = 0.0030488 k( 49) = ( 0.3606835 0.3606835 0.0000000), wk = 0.0030488 k( 50) = ( 0.3468110 0.3660418 0.0000000), wk = 0.0030488 k( 51) = ( 0.3329386 0.3714001 0.0000000), wk = 0.0030488 k( 52) = ( 0.3190661 0.3767585 0.0000000), wk = 0.0030488 k( 53) = ( 0.3051937 0.3821168 0.0000000), wk = 0.0030488 k( 54) = ( 0.2913213 0.3874751 0.0000000), wk = 0.0030488 k( 55) = ( 0.2774488 0.3928334 0.0000000), wk = 0.0030488 k( 56) = ( 0.2635764 0.3981918 0.0000000), wk = 0.0030488 k( 57) = ( 0.2497039 0.4035501 0.0000000), wk = 0.0030488 k( 58) = ( 0.2358315 0.4089084 0.0000000), wk = 0.0030488 k( 59) = ( 0.2219591 0.4142668 0.0000000), wk = 0.0030488 k( 60) = ( 0.2080866 0.4196251 0.0000000), wk = 0.0030488 k( 61) = ( 0.1942142 0.4249834 0.0000000), wk = 0.0030488 k( 62) = ( 0.1803417 0.4303417 0.0000000), wk = 0.0030488 k( 63) = ( 0.1664693 0.4357001 0.0000000), wk = 0.0030488 k( 64) = ( 0.1525969 0.4410584 0.0000000), wk = 0.0030488 k( 65) = ( 0.1387244 0.4464167 0.0000000), wk = 0.0030488 k( 66) = ( 0.1248520 0.4517751 0.0000000), wk = 0.0030488 k( 67) = ( 0.1109795 0.4571334 0.0000000), wk = 0.0030488 k( 68) = ( 0.0971071 0.4624917 0.0000000), wk = 0.0030488 k( 69) = ( 0.0832346 0.4678500 0.0000000), wk = 0.0030488 k( 70) = ( 0.0693622 0.4732084 0.0000000), wk = 0.0030488 k( 71) = ( 0.0554898 0.4785667 0.0000000), wk = 0.0030488 k( 72) = ( 0.0416173 0.4839250 0.0000000), wk = 0.0030488 k( 73) = ( 0.0277449 0.4892833 0.0000000), wk = 0.0030488 k( 74) = ( 0.0138724 0.4946417 0.0000000), wk = 0.0030488 k( 75) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 76) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 77) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0030488 k( 78) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0030488 k( 79) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0030488 k( 80) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0030488 k( 81) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0030488 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0030488 k( 83) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0030488 k( 84) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0030488 k( 85) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0030488 k( 86) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0030488 k( 87) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030488 k( 88) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030488 k( 89) = ( 0.0138724 0.4946417 0.5000000), wk = 0.0030488 k( 90) = ( 0.0277449 0.4892833 0.5000000), wk = 0.0030488 k( 91) = ( 0.0416173 0.4839250 0.5000000), wk = 0.0030488 k( 92) = ( 0.0554898 0.4785667 0.5000000), wk = 0.0030488 k( 93) = ( 0.0693622 0.4732084 0.5000000), wk = 0.0030488 k( 94) = ( 0.0832346 0.4678500 0.5000000), wk = 0.0030488 k( 95) = ( 0.0971071 0.4624917 0.5000000), wk = 0.0030488 k( 96) = ( 0.1109795 0.4571334 0.5000000), wk = 0.0030488 k( 97) = ( 0.1248520 0.4517751 0.5000000), wk = 0.0030488 k( 98) = ( 0.1387244 0.4464167 0.5000000), wk = 0.0030488 k( 99) = ( 0.1525969 0.4410584 0.5000000), wk = 0.0030488 k( 100) = ( 0.1664693 0.4357001 0.5000000), wk = 0.0030488 k( 101) = ( 0.1803417 0.4303417 0.5000000), wk = 0.0030488 k( 102) = ( 0.1942142 0.4249834 0.5000000), wk = 0.0030488 k( 103) = ( 0.2080866 0.4196251 0.5000000), wk = 0.0030488 k( 104) = ( 0.2219591 0.4142668 0.5000000), wk = 0.0030488 k( 105) = ( 0.2358315 0.4089084 0.5000000), wk = 0.0030488 k( 106) = ( 0.2497039 0.4035501 0.5000000), wk = 0.0030488 k( 107) = ( 0.2635764 0.3981918 0.5000000), wk = 0.0030488 k( 108) = ( 0.2774488 0.3928334 0.5000000), wk = 0.0030488 k( 109) = ( 0.2913213 0.3874751 0.5000000), wk = 0.0030488 k( 110) = ( 0.3051937 0.3821168 0.5000000), wk = 0.0030488 k( 111) = ( 0.3190661 0.3767585 0.5000000), wk = 0.0030488 k( 112) = ( 0.3329386 0.3714001 0.5000000), wk = 0.0030488 k( 113) = ( 0.3468110 0.3660418 0.5000000), wk = 0.0030488 k( 114) = ( 0.3606835 0.3606835 0.5000000), wk = 0.0030488 k( 115) = ( 0.3606835 0.3606835 0.5000000), wk = 0.0030488 k( 116) = ( 0.3530093 0.3530093 0.5000000), wk = 0.0030488 k( 117) = ( 0.3453352 0.3453352 0.5000000), wk = 0.0030488 k( 118) = ( 0.3376611 0.3376611 0.5000000), wk = 0.0030488 k( 119) = ( 0.3299870 0.3299870 0.5000000), wk = 0.0030488 k( 120) = ( 0.3223129 0.3223129 0.5000000), wk = 0.0030488 k( 121) = ( 0.3146388 0.3146388 0.5000000), wk = 0.0030488 k( 122) = ( 0.3069647 0.3069647 0.5000000), wk = 0.0030488 k( 123) = ( 0.2992905 0.2992905 0.5000000), wk = 0.0030488 k( 124) = ( 0.2916164 0.2916164 0.5000000), wk = 0.0030488 k( 125) = ( 0.2839423 0.2839423 0.5000000), wk = 0.0030488 k( 126) = ( 0.2762682 0.2762682 0.5000000), wk = 0.0030488 k( 127) = ( 0.2685941 0.2685941 0.5000000), wk = 0.0030488 k( 128) = ( 0.2609200 0.2609200 0.5000000), wk = 0.0030488 k( 129) = ( 0.2532458 0.2532458 0.5000000), wk = 0.0030488 k( 130) = ( 0.2455717 0.2455717 0.5000000), wk = 0.0030488 k( 131) = ( 0.2378976 0.2378976 0.5000000), wk = 0.0030488 k( 132) = ( 0.2302235 0.2302235 0.5000000), wk = 0.0030488 k( 133) = ( 0.2225494 0.2225494 0.5000000), wk = 0.0030488 k( 134) = ( 0.2148753 0.2148753 0.5000000), wk = 0.0030488 k( 135) = ( 0.2072011 0.2072011 0.5000000), wk = 0.0030488 k( 136) = ( 0.1995270 0.1995270 0.5000000), wk = 0.0030488 k( 137) = ( 0.1918529 0.1918529 0.5000000), wk = 0.0030488 k( 138) = ( 0.1841788 0.1841788 0.5000000), wk = 0.0030488 k( 139) = ( 0.1765047 0.1765047 0.5000000), wk = 0.0030488 k( 140) = ( 0.1688306 0.1688306 0.5000000), wk = 0.0030488 k( 141) = ( 0.1611564 0.1611564 0.5000000), wk = 0.0030488 k( 142) = ( 0.1534823 0.1534823 0.5000000), wk = 0.0030488 k( 143) = ( 0.1458082 0.1458082 0.5000000), wk = 0.0030488 k( 144) = ( 0.1381341 0.1381341 0.5000000), wk = 0.0030488 k( 145) = ( 0.1304600 0.1304600 0.5000000), wk = 0.0030488 k( 146) = ( 0.1227859 0.1227859 0.5000000), wk = 0.0030488 k( 147) = ( 0.1151117 0.1151117 0.5000000), wk = 0.0030488 k( 148) = ( 0.1074376 0.1074376 0.5000000), wk = 0.0030488 k( 149) = ( 0.0997635 0.0997635 0.5000000), wk = 0.0030488 k( 150) = ( 0.0920894 0.0920894 0.5000000), wk = 0.0030488 k( 151) = ( 0.0844153 0.0844153 0.5000000), wk = 0.0030488 k( 152) = ( 0.0767412 0.0767412 0.5000000), wk = 0.0030488 k( 153) = ( 0.0690671 0.0690671 0.5000000), wk = 0.0030488 k( 154) = ( 0.0613929 0.0613929 0.5000000), wk = 0.0030488 k( 155) = ( 0.0537188 0.0537188 0.5000000), wk = 0.0030488 k( 156) = ( 0.0460447 0.0460447 0.5000000), wk = 0.0030488 k( 157) = ( 0.0383706 0.0383706 0.5000000), wk = 0.0030488 k( 158) = ( 0.0306965 0.0306965 0.5000000), wk = 0.0030488 k( 159) = ( 0.0230224 0.0230224 0.5000000), wk = 0.0030488 k( 160) = ( 0.0153482 0.0153482 0.5000000), wk = 0.0030488 k( 161) = ( 0.0076741 0.0076741 0.5000000), wk = 0.0030488 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 164) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0030488 k( 165) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0030488 k( 166) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0030488 k( 167) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0030488 k( 168) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0030488 k( 171) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0030488 k( 172) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0030488 k( 173) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0030488 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 176) = ( -0.0113636 0.0113636 0.0000000), wk = 0.0030488 k( 177) = ( -0.0227273 0.0227273 -0.0000000), wk = 0.0030488 k( 178) = ( -0.0340909 0.0340909 0.0000000), wk = 0.0030488 k( 179) = ( -0.0454546 0.0454546 0.0000000), wk = 0.0030488 k( 180) = ( -0.0568182 0.0568182 0.0000000), wk = 0.0030488 k( 181) = ( -0.0681818 0.0681818 0.0000000), wk = 0.0030488 k( 182) = ( -0.0795455 0.0795455 -0.0000000), wk = 0.0030488 k( 183) = ( -0.0909091 0.0909091 -0.0000000), wk = 0.0030488 k( 184) = ( -0.1022727 0.1022727 0.0000000), wk = 0.0030488 k( 185) = ( -0.1136364 0.1136364 0.0000000), wk = 0.0030488 k( 186) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0030488 k( 187) = ( -0.1363636 0.1363636 0.0000000), wk = 0.0030488 k( 188) = ( -0.1477273 0.1477273 0.0000000), wk = 0.0030488 k( 189) = ( -0.1590909 0.1590909 0.0000000), wk = 0.0030488 k( 190) = ( -0.1704546 0.1704546 -0.0000000), wk = 0.0030488 k( 191) = ( -0.1818182 0.1818182 -0.0000000), wk = 0.0030488 k( 192) = ( -0.1931818 0.1931818 0.0000000), wk = 0.0030488 k( 193) = ( -0.2045454 0.2045455 0.0000000), wk = 0.0030488 k( 194) = ( -0.2159091 0.2159091 0.0000000), wk = 0.0030488 k( 195) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0030488 k( 196) = ( -0.2386364 0.2386364 0.0000000), wk = 0.0030488 k( 197) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0030488 k( 198) = ( -0.2613636 0.2613636 0.0000000), wk = 0.0030488 k( 199) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0030488 k( 200) = ( -0.2840909 0.2840909 0.0000000), wk = 0.0030488 k( 201) = ( -0.2954545 0.2954545 -0.0000000), wk = 0.0030488 k( 202) = ( -0.3068182 0.3068182 0.0000000), wk = 0.0030488 k( 203) = ( -0.3181818 0.3181818 0.0000000), wk = 0.0030488 k( 204) = ( -0.3295455 0.3295455 0.0000000), wk = 0.0030488 k( 205) = ( -0.3409091 0.3409091 0.0000000), wk = 0.0030488 k( 206) = ( -0.3522727 0.3522727 -0.0000000), wk = 0.0030488 k( 207) = ( -0.3636364 0.3636364 -0.0000000), wk = 0.0030488 k( 208) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0030488 k( 209) = ( -0.3863636 0.3863636 0.0000000), wk = 0.0030488 k( 210) = ( -0.3977273 0.3977273 0.0000000), wk = 0.0030488 k( 211) = ( -0.4090909 0.4090909 -0.0000000), wk = 0.0030488 k( 212) = ( -0.4204545 0.4204545 0.0000000), wk = 0.0030488 k( 213) = ( -0.4318182 0.4318182 0.0000000), wk = 0.0030488 k( 214) = ( -0.4431818 0.4431818 0.0000000), wk = 0.0030488 k( 215) = ( -0.4545455 0.4545455 0.0000000), wk = 0.0030488 k( 216) = ( -0.4659091 0.4659091 0.0000000), wk = 0.0030488 k( 217) = ( -0.4772727 0.4772727 0.0000000), wk = 0.0030488 k( 218) = ( -0.4886364 0.4886364 0.0000000), wk = 0.0030488 k( 219) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 221) = ( -0.4926676 0.5073325 0.0000000), wk = 0.0030488 k( 222) = ( -0.4853351 0.5146649 -0.0000000), wk = 0.0030488 k( 223) = ( -0.4780026 0.5219974 -0.0000000), wk = 0.0030488 k( 224) = ( -0.4706702 0.5293298 -0.0000000), wk = 0.0030488 k( 225) = ( -0.4633377 0.5366623 0.0000000), wk = 0.0030488 k( 226) = ( -0.4560053 0.5439947 0.0000000), wk = 0.0030488 k( 227) = ( -0.4486729 0.5513271 0.0000000), wk = 0.0030488 k( 228) = ( -0.4413404 0.5586596 0.0000000), wk = 0.0030488 k( 229) = ( -0.4340080 0.5659920 0.0000000), wk = 0.0030488 k( 230) = ( -0.4266755 0.5733245 0.0000000), wk = 0.0030488 k( 231) = ( -0.4193431 0.5806569 0.0000000), wk = 0.0030488 k( 232) = ( -0.4120106 0.5879894 0.0000000), wk = 0.0030488 k( 233) = ( -0.4046782 0.5953218 0.0000000), wk = 0.0030488 k( 234) = ( -0.3973457 0.6026543 0.0000000), wk = 0.0030488 k( 235) = ( -0.3900133 0.6099867 0.0000000), wk = 0.0030488 k( 236) = ( -0.3826808 0.6173192 0.0000000), wk = 0.0030488 k( 237) = ( -0.3753484 0.6246516 0.0000000), wk = 0.0030488 k( 238) = ( -0.3680159 0.6319841 0.0000000), wk = 0.0030488 k( 239) = ( -0.3606835 0.6393165 -0.0000000), wk = 0.0030488 k( 240) = ( -0.3606835 0.6393165 -0.0000000), wk = 0.0030488 k( 241) = ( -0.3606835 0.6393165 0.0454546), wk = 0.0030488 k( 242) = ( -0.3606835 0.6393165 0.0909091), wk = 0.0030488 k( 243) = ( -0.3606835 0.6393165 0.1363636), wk = 0.0030488 k( 244) = ( -0.3606835 0.6393165 0.1818182), wk = 0.0030488 k( 245) = ( -0.3606835 0.6393165 0.2272727), wk = 0.0030488 k( 246) = ( -0.3606835 0.6393165 0.2727273), wk = 0.0030488 k( 247) = ( -0.3606835 0.6393165 0.3181818), wk = 0.0030488 k( 248) = ( -0.3606835 0.6393165 0.3636364), wk = 0.0030488 k( 249) = ( -0.3606835 0.6393165 0.4090909), wk = 0.0030488 k( 250) = ( -0.3606835 0.6393165 0.4545455), wk = 0.0030488 k( 251) = ( -0.3606835 0.6393165 0.5000000), wk = 0.0030488 k( 252) = ( -0.3606835 0.6393165 0.5000000), wk = 0.0030488 k( 253) = ( -0.3680159 0.6319841 0.5000000), wk = 0.0030488 k( 254) = ( -0.3753484 0.6246516 0.5000000), wk = 0.0030488 k( 255) = ( -0.3826808 0.6173192 0.5000000), wk = 0.0030488 k( 256) = ( -0.3900133 0.6099867 0.5000000), wk = 0.0030488 k( 257) = ( -0.3973457 0.6026543 0.5000000), wk = 0.0030488 k( 258) = ( -0.4046782 0.5953218 0.5000000), wk = 0.0030488 k( 259) = ( -0.4120106 0.5879894 0.5000000), wk = 0.0030488 k( 260) = ( -0.4193431 0.5806569 0.5000000), wk = 0.0030488 k( 261) = ( -0.4266755 0.5733245 0.5000000), wk = 0.0030488 k( 262) = ( -0.4340080 0.5659920 0.5000000), wk = 0.0030488 k( 263) = ( -0.4413404 0.5586596 0.5000000), wk = 0.0030488 k( 264) = ( -0.4486729 0.5513271 0.5000000), wk = 0.0030488 k( 265) = ( -0.4560053 0.5439947 0.5000000), wk = 0.0030488 k( 266) = ( -0.4633377 0.5366623 0.5000000), wk = 0.0030488 k( 267) = ( -0.4706702 0.5293298 0.5000000), wk = 0.0030488 k( 268) = ( -0.4780026 0.5219974 0.5000000), wk = 0.0030488 k( 269) = ( -0.4853351 0.5146649 0.5000000), wk = 0.0030488 k( 270) = ( -0.4926676 0.5073325 0.5000000), wk = 0.0030488 k( 271) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 272) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 273) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0030488 k( 274) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0030488 k( 275) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0030488 k( 276) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0030488 k( 277) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0030488 k( 278) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0030488 k( 279) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0030488 k( 280) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0030488 k( 281) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0030488 k( 282) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0030488 k( 283) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 284) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 285) = ( -0.0113636 0.0113636 0.5000000), wk = 0.0030488 k( 286) = ( -0.0227273 0.0227273 0.5000000), wk = 0.0030488 k( 287) = ( -0.0340909 0.0340909 0.5000000), wk = 0.0030488 k( 288) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0030488 k( 289) = ( -0.0568182 0.0568182 0.5000000), wk = 0.0030488 k( 290) = ( -0.0681818 0.0681818 0.5000000), wk = 0.0030488 k( 291) = ( -0.0795455 0.0795455 0.5000000), wk = 0.0030488 k( 292) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0030488 k( 293) = ( -0.1022727 0.1022727 0.5000000), wk = 0.0030488 k( 294) = ( -0.1136364 0.1136364 0.5000000), wk = 0.0030488 k( 295) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0030488 k( 296) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0030488 k( 297) = ( -0.1477273 0.1477273 0.5000000), wk = 0.0030488 k( 298) = ( -0.1590909 0.1590909 0.5000000), wk = 0.0030488 k( 299) = ( -0.1704546 0.1704546 0.5000000), wk = 0.0030488 k( 300) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0030488 k( 301) = ( -0.1931818 0.1931818 0.5000000), wk = 0.0030488 k( 302) = ( -0.2045454 0.2045455 0.5000000), wk = 0.0030488 k( 303) = ( -0.2159091 0.2159091 0.5000000), wk = 0.0030488 k( 304) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0030488 k( 305) = ( -0.2386364 0.2386364 0.5000000), wk = 0.0030488 k( 306) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0030488 k( 307) = ( -0.2613636 0.2613636 0.5000000), wk = 0.0030488 k( 308) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0030488 k( 309) = ( -0.2840909 0.2840909 0.5000000), wk = 0.0030488 k( 310) = ( -0.2954545 0.2954545 0.5000000), wk = 0.0030488 k( 311) = ( -0.3068182 0.3068182 0.5000000), wk = 0.0030488 k( 312) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0030488 k( 313) = ( -0.3295455 0.3295455 0.5000000), wk = 0.0030488 k( 314) = ( -0.3409091 0.3409091 0.5000000), wk = 0.0030488 k( 315) = ( -0.3522727 0.3522727 0.5000000), wk = 0.0030488 k( 316) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0030488 k( 317) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0030488 k( 318) = ( -0.3863636 0.3863636 0.5000000), wk = 0.0030488 k( 319) = ( -0.3977273 0.3977273 0.5000000), wk = 0.0030488 k( 320) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0030488 k( 321) = ( -0.4204545 0.4204545 0.5000000), wk = 0.0030488 k( 322) = ( -0.4318182 0.4318182 0.5000000), wk = 0.0030488 k( 323) = ( -0.4431818 0.4431818 0.5000000), wk = 0.0030488 k( 324) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0030488 k( 325) = ( -0.4659091 0.4659091 0.5000000), wk = 0.0030488 k( 326) = ( -0.4772727 0.4772727 0.5000000), wk = 0.0030488 k( 327) = ( -0.4886364 0.4886364 0.5000000), wk = 0.0030488 k( 328) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030488 Dense grid: 248671 G-vectors FFT dimensions: ( 54, 54, 180) Smooth grid: 93053 G-vectors FFT dimensions: ( 40, 40, 135) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 512, 62) NL pseudopotentials 0.50 Mb ( 256, 128) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.04 Mb ( 5179) G-vector shells 0.02 Mb ( 2576) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.94 Mb ( 512, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.24 Mb ( 128, 2, 62) The potential is recalculated from file : ./HgIBr.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 46.2 secs Computing kpt #: 2 total cpu time spent up to now is 51.4 secs Computing kpt #: 3 total cpu time spent up to now is 56.9 secs Computing kpt #: 4 total cpu time spent up to now is 62.2 secs Computing kpt #: 5 total cpu time spent up to now is 67.5 secs Computing kpt #: 6 total cpu time spent up to now is 76.0 secs Computing kpt #: 7 total cpu time spent up to now is 82.3 secs Computing kpt #: 8 total cpu time spent up to now is 87.8 secs Computing kpt #: 9 total cpu time spent up to now is 94.3 secs Computing kpt #: 10 total cpu time spent up to now is 99.7 secs Computing kpt #: 11 total cpu time spent up to now is 105.1 secs Computing kpt #: 12 total cpu time spent up to now is 110.3 secs Computing kpt #: 13 total cpu time spent up to now is 115.4 secs Computing kpt #: 14 total cpu time spent up to now is 120.6 secs Computing kpt #: 15 total cpu time spent up to now is 125.9 secs Computing kpt #: 16 total cpu time spent up to now is 131.2 secs Computing kpt #: 17 total cpu time spent up to now is 136.7 secs Computing kpt #: 18 total cpu time spent up to now is 142.3 secs Computing kpt #: 19 total cpu time spent up to now is 147.7 secs Computing kpt #: 20 total cpu time spent up to now is 153.3 secs Computing kpt #: 21 total cpu time spent up to now is 159.4 secs Computing kpt #: 22 total cpu time spent up to now is 164.9 secs Computing kpt #: 23 total cpu time spent up to now is 170.3 secs Computing kpt #: 24 total cpu time spent up to now is 175.7 secs Computing kpt #: 25 total cpu time spent up to now is 181.2 secs Computing kpt #: 26 total cpu time spent up to now is 186.9 secs Computing kpt #: 27 total cpu time spent up to now is 192.5 secs Computing kpt #: 28 total cpu time spent up to now is 198.0 secs Computing kpt #: 29 total cpu time spent up to now is 203.6 secs Computing kpt #: 30 total cpu time spent up to now is 209.0 secs Computing kpt #: 31 total cpu time spent up to now is 214.6 secs Computing kpt #: 32 total cpu time spent up to now is 220.9 secs Computing kpt #: 33 total cpu time spent up to now is 227.7 secs Computing kpt #: 34 total cpu time spent up to now is 233.3 secs Computing kpt #: 35 total cpu time spent up to now is 239.0 secs Computing kpt #: 36 total cpu time spent up to now is 244.9 secs Computing kpt #: 37 total cpu time spent up to now is 250.4 secs Computing kpt #: 38 total cpu time spent up to now is 255.9 secs Computing kpt #: 39 total cpu time spent up to now is 262.2 secs Computing kpt #: 40 total cpu time spent up to now is 267.9 secs Computing kpt #: 41 total cpu time spent up to now is 273.5 secs Computing kpt #: 42 total cpu time spent up to now is 280.0 secs Computing kpt #: 43 total cpu time spent up to now is 285.4 secs Computing kpt #: 44 total cpu time spent up to now is 291.1 secs Computing kpt #: 45 total cpu time spent up to now is 296.5 secs Computing kpt #: 46 total cpu time spent up to now is 301.9 secs Computing kpt #: 47 total cpu time spent up to now is 307.2 secs Computing kpt #: 48 total cpu time spent up to now is 312.4 secs Computing kpt #: 49 total cpu time spent up to now is 317.6 secs Computing kpt #: 50 total cpu time spent up to now is 322.8 secs Computing kpt #: 51 total cpu time spent up to now is 328.3 secs Computing kpt #: 52 total cpu time spent up to now is 333.7 secs Computing kpt #: 53 total cpu time spent up to now is 339.5 secs Computing kpt #: 54 total cpu time spent up to now is 344.9 secs Computing kpt #: 55 total cpu time spent up to now is 350.3 secs Computing kpt #: 56 total cpu time spent up to now is 355.8 secs Computing kpt #: 57 total cpu time spent up to now is 361.3 secs Computing kpt #: 58 total cpu time spent up to now is 367.0 secs Computing kpt #: 59 total cpu time spent up to now is 375.9 secs Computing kpt #: 60 total cpu time spent up to now is 381.6 secs Computing kpt #: 61 total cpu time spent up to now is 387.4 secs Computing kpt #: 62 total cpu time spent up to now is 392.9 secs Computing kpt #: 63 total cpu time spent up to now is 398.5 secs Computing kpt #: 64 total cpu time spent up to now is 404.0 secs Computing kpt #: 65 total cpu time spent up to now is 409.5 secs Computing kpt #: 66 total cpu time spent up to now is 415.0 secs Computing kpt #: 67 total cpu time spent up to now is 420.4 secs Computing kpt #: 68 total cpu time spent up to now is 427.0 secs Computing kpt #: 69 total cpu time spent up to now is 432.6 secs Computing kpt #: 70 total cpu time spent up to now is 438.2 secs Computing kpt #: 71 total cpu time spent up to now is 443.7 secs Computing kpt #: 72 total cpu time spent up to now is 449.1 secs Computing kpt #: 73 total cpu time spent up to now is 454.6 secs Computing kpt #: 74 total cpu time spent up to now is 460.2 secs Computing kpt #: 75 total cpu time spent up to now is 465.7 secs Computing kpt #: 76 total cpu time spent up to now is 471.2 secs Computing kpt #: 77 total cpu time spent up to now is 476.9 secs Computing kpt #: 78 total cpu time spent up to now is 482.3 secs Computing kpt #: 79 total cpu time spent up to now is 488.0 secs Computing kpt #: 80 total cpu time spent up to now is 493.8 secs Computing kpt #: 81 total cpu time spent up to now is 499.3 secs Computing kpt #: 82 total cpu time spent up to now is 505.7 secs Computing kpt #: 83 total cpu time spent up to now is 511.5 secs Computing kpt #: 84 total cpu time spent up to now is 517.0 secs Computing kpt #: 85 total cpu time spent up to now is 522.9 secs Computing kpt #: 86 total cpu time spent up to now is 528.5 secs Computing kpt #: 87 total cpu time spent up to now is 534.9 secs Computing kpt #: 88 total cpu time spent up to now is 540.9 secs Computing kpt #: 89 total cpu time spent up to now is 546.4 secs Computing kpt #: 90 total cpu time spent up to now is 552.0 secs Computing kpt #: 91 total cpu time spent up to now is 557.5 secs Computing kpt #: 92 total cpu time spent up to now is 563.1 secs Computing kpt #: 93 total cpu time spent up to now is 568.7 secs Computing kpt #: 94 total cpu time spent up to now is 574.0 secs Computing kpt #: 95 total cpu time spent up to now is 579.4 secs Computing kpt #: 96 total cpu time spent up to now is 584.8 secs Computing kpt #: 97 total cpu time spent up to now is 590.0 secs Computing kpt #: 98 total cpu time spent up to now is 595.5 secs Computing kpt #: 99 total cpu time spent up to now is 601.0 secs Computing kpt #: 100 total cpu time spent up to now is 607.5 secs Computing kpt #: 101 total cpu time spent up to now is 613.9 secs Computing kpt #: 102 total cpu time spent up to now is 619.3 secs Computing kpt #: 103 total cpu time spent up to now is 624.7 secs Computing kpt #: 104 total cpu time spent up to now is 630.0 secs Computing kpt #: 105 total cpu time spent up to now is 635.2 secs Computing kpt #: 106 total cpu time spent up to now is 640.5 secs Computing kpt #: 107 total cpu time spent up to now is 645.7 secs Computing kpt #: 108 total cpu time spent up to now is 651.1 secs Computing kpt #: 109 total cpu time spent up to now is 656.3 secs Computing kpt #: 110 total cpu time spent up to now is 661.5 secs Computing kpt #: 111 total cpu time spent up to now is 666.7 secs Computing kpt #: 112 total cpu time spent up to now is 674.9 secs Computing kpt #: 113 total cpu time spent up to now is 680.1 secs Computing kpt #: 114 total cpu time spent up to now is 686.3 secs Computing kpt #: 115 total cpu time spent up to now is 691.4 secs Computing kpt #: 116 total cpu time spent up to now is 696.6 secs Computing kpt #: 117 total cpu time spent up to now is 701.9 secs Computing kpt #: 118 total cpu time spent up to now is 707.3 secs Computing kpt #: 119 total cpu time spent up to now is 712.6 secs Computing kpt #: 120 total cpu time spent up to now is 717.8 secs Computing kpt #: 121 total cpu time spent up to now is 723.1 secs Computing kpt #: 122 total cpu time spent up to now is 728.4 secs Computing kpt #: 123 total cpu time spent up to now is 733.7 secs Computing kpt #: 124 total cpu time spent up to now is 738.9 secs Computing kpt #: 125 total cpu time spent up to now is 744.2 secs Computing kpt #: 126 total cpu time spent up to now is 749.8 secs Computing kpt #: 127 total cpu time spent up to now is 755.2 secs Computing kpt #: 128 total cpu time spent up to now is 761.6 secs Computing kpt #: 129 total cpu time spent up to now is 767.1 secs Computing kpt #: 130 total cpu time spent up to now is 772.5 secs Computing kpt #: 131 total cpu time spent up to now is 777.8 secs Computing kpt #: 132 total cpu time spent up to now is 784.3 secs Computing kpt #: 133 total cpu time spent up to now is 789.7 secs Computing kpt #: 134 total cpu time spent up to now is 795.2 secs Computing kpt #: 135 total cpu time spent up to now is 800.6 secs Computing kpt #: 136 total cpu time spent up to now is 806.2 secs Computing kpt #: 137 total cpu time spent up to now is 811.6 secs Computing kpt #: 138 total cpu time spent up to now is 817.0 secs Computing kpt #: 139 total cpu time spent up to now is 822.5 secs Computing kpt #: 140 total cpu time spent up to now is 827.8 secs Computing kpt #: 141 total cpu time spent up to now is 833.3 secs Computing kpt #: 142 total cpu time spent up to now is 839.5 secs Computing kpt #: 143 total cpu time spent up to now is 845.0 secs Computing kpt #: 144 total cpu time spent up to now is 851.3 secs Computing kpt #: 145 total cpu time spent up to now is 856.6 secs Computing kpt #: 146 total cpu time spent up to now is 861.9 secs Computing kpt #: 147 total cpu time spent up to now is 867.2 secs Computing kpt #: 148 total cpu time spent up to now is 872.3 secs Computing kpt #: 149 total cpu time spent up to now is 877.5 secs Computing kpt #: 150 total cpu time spent up to now is 882.5 secs Computing kpt #: 151 total cpu time spent up to now is 887.6 secs Computing kpt #: 152 total cpu time spent up to now is 892.7 secs Computing kpt #: 153 total cpu time spent up to now is 898.0 secs Computing kpt #: 154 total cpu time spent up to now is 903.3 secs Computing kpt #: 155 total cpu time spent up to now is 908.5 secs Computing kpt #: 156 total cpu time spent up to now is 914.2 secs Computing kpt #: 157 total cpu time spent up to now is 920.2 secs Computing kpt #: 158 total cpu time spent up to now is 925.8 secs Computing kpt #: 159 total cpu time spent up to now is 931.1 secs Computing kpt #: 160 total cpu time spent up to now is 936.4 secs Computing kpt #: 161 total cpu time spent up to now is 941.7 secs Computing kpt #: 162 total cpu time spent up to now is 946.4 secs Computing kpt #: 163 total cpu time spent up to now is 950.8 secs Computing kpt #: 164 total cpu time spent up to now is 957.2 secs Computing kpt #: 165 total cpu time spent up to now is 962.5 secs Computing kpt #: 166 total cpu time spent up to now is 968.3 secs Computing kpt #: 167 total cpu time spent up to now is 975.9 secs Computing kpt #: 168 total cpu time spent up to now is 982.0 secs Computing kpt #: 169 total cpu time spent up to now is 987.4 secs Computing kpt #: 170 total cpu time spent up to now is 992.7 secs Computing kpt #: 171 total cpu time spent up to now is 997.9 secs Computing kpt #: 172 total cpu time spent up to now is 1003.1 secs Computing kpt #: 173 total cpu time spent up to now is 1008.5 secs Computing kpt #: 174 total cpu time spent up to now is 1013.6 secs Computing kpt #: 175 total cpu time spent up to now is 1020.0 secs Computing kpt #: 176 total cpu time spent up to now is 1025.2 secs Computing kpt #: 177 total cpu time spent up to now is 1030.6 secs Computing kpt #: 178 total cpu time spent up to now is 1036.1 secs Computing kpt #: 179 total cpu time spent up to now is 1041.5 secs Computing kpt #: 180 total cpu time spent up to now is 1047.2 secs Computing kpt #: 181 total cpu time spent up to now is 1052.6 secs Computing kpt #: 182 total cpu time spent up to now is 1058.3 secs Computing kpt #: 183 total cpu time spent up to now is 1063.8 secs Computing kpt #: 184 total cpu time spent up to now is 1069.7 secs Computing kpt #: 185 total cpu time spent up to now is 1076.1 secs Computing kpt #: 186 total cpu time spent up to now is 1082.0 secs Computing kpt #: 187 total cpu time spent up to now is 1087.8 secs Computing kpt #: 188 total cpu time spent up to now is 1093.5 secs Computing kpt #: 189 total cpu time spent up to now is 1099.5 secs Computing kpt #: 190 total cpu time spent up to now is 1105.5 secs Computing kpt #: 191 total cpu time spent up to now is 1111.1 secs Computing kpt #: 192 total cpu time spent up to now is 1116.9 secs Computing kpt #: 193 total cpu time spent up to now is 1122.7 secs Computing kpt #: 194 total cpu time spent up to now is 1129.4 secs Computing kpt #: 195 total cpu time spent up to now is 1136.4 secs Computing kpt #: 196 total cpu time spent up to now is 1142.6 secs Computing kpt #: 197 total cpu time spent up to now is 1148.4 secs Computing kpt #: 198 total cpu time spent up to now is 1154.3 secs Computing kpt #: 199 total cpu time spent up to now is 1160.2 secs Computing kpt #: 200 total cpu time spent up to now is 1166.1 secs Computing kpt #: 201 total cpu time spent up to now is 1172.7 secs Computing kpt #: 202 total cpu time spent up to now is 1178.6 secs Computing kpt #: 203 total cpu time spent up to now is 1184.9 secs Computing kpt #: 204 total cpu time spent up to now is 1190.7 secs Computing kpt #: 205 total cpu time spent up to now is 1196.6 secs Computing kpt #: 206 total cpu time spent up to now is 1202.4 secs Computing kpt #: 207 total cpu time spent up to now is 1208.2 secs Computing kpt #: 208 total cpu time spent up to now is 1214.2 secs Computing kpt #: 209 total cpu time spent up to now is 1219.9 secs Computing kpt #: 210 total cpu time spent up to now is 1225.7 secs Computing kpt #: 211 total cpu time spent up to now is 1231.5 secs Computing kpt #: 212 total cpu time spent up to now is 1237.5 secs Computing kpt #: 213 total cpu time spent up to now is 1244.3 secs Computing kpt #: 214 total cpu time spent up to now is 1250.0 secs Computing kpt #: 215 total cpu time spent up to now is 1256.5 secs Computing kpt #: 216 total cpu time spent up to now is 1262.8 secs Computing kpt #: 217 total cpu time spent up to now is 1270.4 secs Computing kpt #: 218 total cpu time spent up to now is 1277.7 secs Computing kpt #: 219 total cpu time spent up to now is 1285.3 secs Computing kpt #: 220 total cpu time spent up to now is 1291.5 secs Computing kpt #: 221 total cpu time spent up to now is 1297.8 secs Computing kpt #: 222 total cpu time spent up to now is 1304.5 secs Computing kpt #: 223 total cpu time spent up to now is 1310.3 secs Computing kpt #: 224 total cpu time spent up to now is 1316.1 secs Computing kpt #: 225 total cpu time spent up to now is 1322.1 secs Computing kpt #: 226 total cpu time spent up to now is 1327.9 secs Computing kpt #: 227 total cpu time spent up to now is 1334.6 secs Computing kpt #: 228 total cpu time spent up to now is 1340.4 secs Computing kpt #: 229 total cpu time spent up to now is 1346.3 secs Computing kpt #: 230 total cpu time spent up to now is 1351.7 secs Computing kpt #: 231 total cpu time spent up to now is 1357.2 secs Computing kpt #: 232 total cpu time spent up to now is 1362.4 secs Computing kpt #: 233 total cpu time spent up to now is 1367.7 secs Computing kpt #: 234 total cpu time spent up to now is 1372.8 secs Computing kpt #: 235 total cpu time spent up to now is 1378.1 secs Computing kpt #: 236 total cpu time spent up to now is 1383.3 secs Computing kpt #: 237 total cpu time spent up to now is 1388.5 secs Computing kpt #: 238 total cpu time spent up to now is 1394.6 secs Computing kpt #: 239 total cpu time spent up to now is 1400.0 secs Computing kpt #: 240 total cpu time spent up to now is 1405.3 secs Computing kpt #: 241 total cpu time spent up to now is 1410.8 secs Computing kpt #: 242 total cpu time spent up to now is 1416.0 secs Computing kpt #: 243 total cpu time spent up to now is 1421.2 secs Computing kpt #: 244 total cpu time spent up to now is 1427.4 secs Computing kpt #: 245 total cpu time spent up to now is 1432.8 secs Computing kpt #: 246 total cpu time spent up to now is 1438.0 secs Computing kpt #: 247 total cpu time spent up to now is 1443.5 secs Computing kpt #: 248 total cpu time spent up to now is 1448.9 secs Computing kpt #: 249 total cpu time spent up to now is 1454.0 secs Computing kpt #: 250 total cpu time spent up to now is 1459.2 secs Computing kpt #: 251 total cpu time spent up to now is 1464.4 secs Computing kpt #: 252 total cpu time spent up to now is 1469.5 secs Computing kpt #: 253 total cpu time spent up to now is 1474.7 secs Computing kpt #: 254 total cpu time spent up to now is 1479.9 secs Computing kpt #: 255 total cpu time spent up to now is 1486.1 secs Computing kpt #: 256 total cpu time spent up to now is 1491.7 secs Computing kpt #: 257 total cpu time spent up to now is 1497.1 secs Computing kpt #: 258 total cpu time spent up to now is 1502.6 secs Computing kpt #: 259 total cpu time spent up to now is 1508.0 secs Computing kpt #: 260 total cpu time spent up to now is 1513.4 secs Computing kpt #: 261 total cpu time spent up to now is 1519.0 secs Computing kpt #: 262 total cpu time spent up to now is 1524.4 secs Computing kpt #: 263 total cpu time spent up to now is 1529.9 secs Computing kpt #: 264 total cpu time spent up to now is 1535.2 secs Computing kpt #: 265 total cpu time spent up to now is 1540.8 secs Computing kpt #: 266 total cpu time spent up to now is 1546.4 secs Computing kpt #: 267 total cpu time spent up to now is 1552.2 secs Computing kpt #: 268 total cpu time spent up to now is 1557.8 secs Computing kpt #: 269 total cpu time spent up to now is 1564.8 secs Computing kpt #: 270 total cpu time spent up to now is 1574.2 secs Computing kpt #: 271 total cpu time spent up to now is 1579.0 secs Computing kpt #: 272 total cpu time spent up to now is 1583.7 secs Computing kpt #: 273 total cpu time spent up to now is 1591.1 secs Computing kpt #: 274 total cpu time spent up to now is 1598.2 secs Computing kpt #: 275 total cpu time spent up to now is 1605.3 secs Computing kpt #: 276 total cpu time spent up to now is 1612.2 secs Computing kpt #: 277 total cpu time spent up to now is 1618.9 secs Computing kpt #: 278 total cpu time spent up to now is 1625.4 secs Computing kpt #: 279 total cpu time spent up to now is 1631.8 secs Computing kpt #: 280 total cpu time spent up to now is 1638.2 secs Computing kpt #: 281 total cpu time spent up to now is 1644.5 secs Computing kpt #: 282 total cpu time spent up to now is 1650.3 secs Computing kpt #: 283 total cpu time spent up to now is 1656.6 secs Computing kpt #: 284 total cpu time spent up to now is 1661.3 secs Computing kpt #: 285 total cpu time spent up to now is 1666.9 secs Computing kpt #: 286 total cpu time spent up to now is 1672.7 secs Computing kpt #: 287 total cpu time spent up to now is 1678.3 secs Computing kpt #: 288 total cpu time spent up to now is 1684.0 secs Computing kpt #: 289 total cpu time spent up to now is 1689.5 secs Computing kpt #: 290 total cpu time spent up to now is 1695.3 secs Computing kpt #: 291 total cpu time spent up to now is 1700.9 secs Computing kpt #: 292 total cpu time spent up to now is 1706.8 secs Computing kpt #: 293 total cpu time spent up to now is 1712.5 secs Computing kpt #: 294 total cpu time spent up to now is 1718.4 secs Computing kpt #: 295 total cpu time spent up to now is 1724.2 secs Computing kpt #: 296 total cpu time spent up to now is 1729.7 secs Computing kpt #: 297 total cpu time spent up to now is 1735.1 secs Computing kpt #: 298 total cpu time spent up to now is 1740.9 secs Computing kpt #: 299 total cpu time spent up to now is 1746.3 secs Computing kpt #: 300 total cpu time spent up to now is 1751.8 secs Computing kpt #: 301 total cpu time spent up to now is 1757.2 secs Computing kpt #: 302 total cpu time spent up to now is 1762.6 secs Computing kpt #: 303 total cpu time spent up to now is 1768.0 secs Computing kpt #: 304 total cpu time spent up to now is 1773.2 secs Computing kpt #: 305 total cpu time spent up to now is 1778.7 secs Computing kpt #: 306 total cpu time spent up to now is 1784.0 secs Computing kpt #: 307 total cpu time spent up to now is 1789.5 secs Computing kpt #: 308 total cpu time spent up to now is 1794.9 secs Computing kpt #: 309 total cpu time spent up to now is 1800.4 secs Computing kpt #: 310 total cpu time spent up to now is 1805.8 secs Computing kpt #: 311 total cpu time spent up to now is 1811.1 secs Computing kpt #: 312 total cpu time spent up to now is 1816.6 secs Computing kpt #: 313 total cpu time spent up to now is 1822.2 secs Computing kpt #: 314 total cpu time spent up to now is 1827.9 secs Computing kpt #: 315 total cpu time spent up to now is 1833.3 secs Computing kpt #: 316 total cpu time spent up to now is 1838.9 secs Computing kpt #: 317 total cpu time spent up to now is 1844.6 secs Computing kpt #: 318 total cpu time spent up to now is 1850.3 secs Computing kpt #: 319 total cpu time spent up to now is 1855.9 secs Computing kpt #: 320 total cpu time spent up to now is 1861.6 secs Computing kpt #: 321 total cpu time spent up to now is 1867.6 secs Computing kpt #: 322 total cpu time spent up to now is 1874.1 secs Computing kpt #: 323 total cpu time spent up to now is 1879.8 secs Computing kpt #: 324 total cpu time spent up to now is 1885.6 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1893.9 secs Computing kpt #: 326 total cpu time spent up to now is 1899.8 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1908.2 secs Computing kpt #: 328 total cpu time spent up to now is 1912.9 secs ethr = 1.92E-11, avg # of iterations = 43.6 total cpu time spent up to now is 1913.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11639 PWs) bands (ev): -11.6526 -11.6526 -11.6439 -11.6439 -9.9381 -9.9381 -9.9168 -9.9168 -5.1344 -5.1344 -5.1218 -5.1218 -4.8443 -4.8443 -4.8439 -4.8439 -3.5782 -3.5782 -3.5370 -3.5370 -3.1872 -3.1872 -3.1840 -3.1840 -2.9521 -2.9521 -2.9500 -2.9500 -1.8339 -1.8339 -1.6458 -1.6458 -0.2512 -0.2512 0.1973 0.1973 0.9046 0.9046 1.0263 1.0263 1.0890 1.0890 1.1952 1.1952 1.2671 1.2671 1.3720 1.3720 1.8172 1.8172 1.8266 1.8266 3.2233 3.2233 4.0242 4.0242 6.0440 6.0440 6.1516 6.1516 7.4896 7.4896 k = 0.0077 0.0115-0.0000 ( 11639 PWs) bands (ev): -11.6525 -11.6524 -11.6438 -11.6437 -9.9380 -9.9377 -9.9167 -9.9164 -5.1345 -5.1343 -5.1218 -5.1216 -4.8446 -4.8441 -4.8440 -4.8436 -3.5787 -3.5775 -3.5376 -3.5363 -3.1875 -3.1868 -3.1842 -3.1837 -2.9523 -2.9520 -2.9500 -2.9497 -1.8349 -1.8323 -1.6481 -1.6438 -0.2533 -0.2491 0.1966 0.1968 0.9009 0.9066 1.0234 1.0271 1.0846 1.0897 1.1913 1.1949 1.2657 1.2681 1.3602 1.3822 1.8066 1.8128 1.8287 1.8311 3.2205 3.2309 4.0208 4.0276 6.0479 6.0483 6.1514 6.1588 7.4859 7.4866 k = 0.0153 0.0231-0.0000 ( 11629 PWs) bands (ev): -11.6522 -11.6520 -11.6435 -11.6433 -9.9373 -9.9368 -9.9161 -9.9156 -5.1345 -5.1341 -5.1217 -5.1213 -4.8447 -4.8442 -4.8435 -4.8432 -3.5791 -3.5766 -3.5382 -3.5354 -3.1877 -3.1865 -3.1843 -3.1833 -2.9524 -2.9520 -2.9497 -2.9492 -1.8351 -1.8299 -1.6506 -1.6421 -0.2554 -0.2469 0.1949 0.1953 0.8955 0.9068 1.0180 1.0259 1.0761 1.0873 1.1838 1.1906 1.2634 1.2689 1.3471 1.3905 1.7906 1.7988 1.8319 1.8324 3.2227 3.2432 4.0174 4.0309 6.0596 6.0606 6.1582 6.1729 7.4757 7.4772 k = 0.0230 0.0346-0.0000 ( 11629 PWs) bands (ev): -11.6517 -11.6514 -11.6430 -11.6427 -9.9361 -9.9354 -9.9150 -9.9143 -5.1344 -5.1338 -5.1216 -5.1209 -4.8447 -4.8443 -4.8430 -4.8427 -3.5794 -3.5756 -3.5386 -3.5345 -3.1879 -3.1862 -3.1842 -3.1829 -2.9525 -2.9519 -2.9491 -2.9486 -1.8347 -1.8269 -1.6533 -1.6406 -0.2575 -0.2448 0.1922 0.1927 0.8882 0.9053 1.0101 1.0227 1.0631 1.0822 1.1735 1.1829 1.2596 1.2693 1.3327 1.3967 1.7708 1.7803 1.8294 1.8313 3.2297 3.2600 4.0141 4.0341 6.0791 6.0807 6.1717 6.1939 7.4595 7.4612 k = 0.0307 0.0461-0.0000 ( 11623 PWs) bands (ev): -11.6508 -11.6505 -11.6423 -11.6419 -9.9344 -9.9335 -9.9135 -9.9126 -5.1342 -5.1334 -5.1213 -5.1204 -4.8447 -4.8442 -4.8423 -4.8421 -3.5795 -3.5744 -3.5390 -3.5335 -3.1880 -3.1859 -3.1839 -3.1823 -2.9524 -2.9518 -2.9484 -2.9477 -1.8335 -1.8231 -1.6563 -1.6395 -0.2596 -0.2426 0.1884 0.1891 0.8788 0.9018 0.9995 1.0175 1.0458 1.0749 1.1611 1.1726 1.2538 1.2688 1.3173 1.4004 1.7475 1.7582 1.8222 1.8265 3.2413 3.2808 4.0109 4.0370 6.1057 6.1081 6.1917 6.2214 7.4380 7.4391 k = 0.0384 0.0577-0.0000 ( 11617 PWs) bands (ev): -11.6498 -11.6493 -11.6413 -11.6408 -9.9322 -9.9311 -9.9115 -9.9104 -5.1339 -5.1329 -5.1209 -5.1198 -4.8445 -4.8441 -4.8416 -4.8414 -3.5795 -3.5731 -3.5392 -3.5324 -3.1881 -3.1857 -3.1835 -3.1817 -2.9523 -2.9516 -2.9476 -2.9467 -1.8317 -1.8187 -1.6595 -1.6385 -0.2617 -0.2406 0.1835 0.1844 0.8672 0.8960 0.9862 1.0097 1.0252 1.0657 1.1475 1.1606 1.2458 1.2667 1.3010 1.4015 1.7213 1.7328 1.8108 1.8178 3.2572 3.3053 4.0078 4.0396 6.1390 6.1422 6.2178 6.2551 7.4113 7.4125 k = 0.0460 0.0692-0.0000 ( 11623 PWs) bands (ev): -11.6485 -11.6480 -11.6402 -11.6396 -9.9295 -9.9282 -9.9091 -9.9078 -5.1335 -5.1323 -5.1204 -5.1191 -4.8442 -4.8438 -4.8407 -4.8406 -3.5793 -3.5717 -3.5394 -3.5312 -3.1881 -3.1856 -3.1829 -3.1810 -2.9521 -2.9513 -2.9466 -2.9457 -1.8293 -1.8136 -1.6629 -1.6379 -0.2639 -0.2386 0.1776 0.1786 0.8531 0.8875 0.9702 0.9944 1.0070 1.0549 1.1334 1.1475 1.2355 1.2623 1.2845 1.3998 1.6927 1.7045 1.7955 1.8053 3.2770 3.3330 4.0046 4.0416 6.1780 6.1818 6.2501 6.2944 7.3791 7.3844 k = 0.0537 0.0807-0.0000 ( 11627 PWs) bands (ev): -11.6470 -11.6464 -11.6388 -11.6381 -9.9264 -9.9248 -9.9063 -9.9047 -5.1330 -5.1317 -5.1197 -5.1183 -4.8438 -4.8435 -4.8398 -4.8398 -3.5790 -3.5701 -3.5395 -3.5299 -3.1881 -3.1854 -3.1822 -3.1803 -2.9518 -2.9509 -2.9456 -2.9445 -1.8262 -1.8078 -1.6665 -1.6375 -0.2662 -0.2367 0.1707 0.1718 0.8364 0.8755 0.9516 0.9687 0.9952 1.0426 1.1194 1.1336 1.2228 1.2531 1.2698 1.3954 1.6620 1.6739 1.7766 1.7893 3.3002 3.3633 4.0014 4.0430 6.2220 6.2252 6.2885 6.3387 7.3438 7.3549 k = 0.0614 0.0923-0.0000 ( 11645 PWs) bands (ev): -11.6453 -11.6446 -11.6372 -11.6365 -9.9227 -9.9209 -9.9030 -9.9012 -5.1325 -5.1310 -5.1190 -5.1174 -4.8434 -4.8431 -4.8388 -4.8387 -3.5786 -3.5684 -3.5395 -3.5286 -3.1880 -3.1852 -3.1814 -3.1794 -2.9515 -2.9504 -2.9444 -2.9432 -1.8225 -1.8014 -1.6703 -1.6373 -0.2687 -0.2350 0.1628 0.1640 0.8171 0.8590 0.9305 0.9403 0.9836 1.0289 1.1058 1.1191 1.2078 1.2375 1.2589 1.3882 1.6299 1.6415 1.7546 1.7701 3.3263 3.3958 3.9981 4.0437 6.2699 6.2702 6.3335 6.3871 7.3068 7.3256 k = 0.0691 0.1038-0.0000 ( 11647 PWs) bands (ev): -11.6434 -11.6426 -11.6355 -11.6347 -9.9186 -9.9167 -9.8993 -9.8973 -5.1319 -5.1302 -5.1181 -5.1164 -4.8428 -4.8426 -4.8378 -4.8376 -3.5780 -3.5665 -3.5394 -3.5272 -3.1879 -3.1849 -3.1805 -3.1785 -2.9510 -2.9499 -2.9432 -2.9418 -1.8182 -1.7943 -1.6741 -1.6374 -0.2713 -0.2336 0.1539 0.1552 0.7952 0.8371 0.9068 0.9119 0.9712 1.0142 1.0928 1.1041 1.1906 1.2185 1.2488 1.3784 1.5968 1.6077 1.7297 1.7480 3.3548 3.4299 3.9945 4.0437 6.3145 6.3204 6.3851 6.4386 7.2698 7.2976 k = 0.0767 0.1153-0.0000 ( 11653 PWs) bands (ev): -11.6413 -11.6404 -11.6336 -11.6326 -9.9141 -9.9119 -9.8952 -9.8930 -5.1311 -5.1293 -5.1172 -5.1153 -4.8422 -4.8420 -4.8368 -4.8365 -3.5774 -3.5646 -3.5392 -3.5257 -3.1877 -3.1846 -3.1795 -3.1775 -2.9505 -2.9493 -2.9420 -2.9404 -1.8134 -1.7867 -1.6781 -1.6376 -0.2742 -0.2324 0.1441 0.1454 0.7710 0.8094 0.8807 0.8844 0.9579 0.9991 1.0802 1.0885 1.1714 1.1986 1.2371 1.3660 1.5631 1.5733 1.7025 1.7233 3.3851 3.4652 3.9906 4.0427 6.3567 6.3722 6.4422 6.4920 7.2341 7.2720 k = 0.0844 0.1269-0.0000 ( 11653 PWs) bands (ev): -11.6390 -11.6380 -11.6314 -11.6304 -9.9092 -9.9068 -9.8908 -9.8884 -5.1303 -5.1283 -5.1161 -5.1141 -4.8415 -4.8413 -4.8356 -4.8352 -3.5766 -3.5625 -3.5390 -3.5241 -3.1874 -3.1842 -3.1785 -3.1764 -2.9500 -2.9486 -2.9407 -2.9390 -1.8080 -1.7785 -1.6821 -1.6381 -0.2774 -0.2316 0.1334 0.1346 0.7448 0.7767 0.8522 0.8575 0.9439 0.9838 1.0675 1.0721 1.1505 1.1790 1.2230 1.3510 1.5294 1.5388 1.6733 1.6964 3.4168 3.5011 3.9863 4.0408 6.3960 6.4236 6.5029 6.5457 7.2013 7.2498 k = 0.0921 0.1384-0.0000 ( 11657 PWs) bands (ev): -11.6365 -11.6355 -11.6292 -11.6281 -9.9038 -9.9013 -9.8860 -9.8834 -5.1294 -5.1273 -5.1150 -5.1128 -4.8407 -4.8406 -4.8344 -4.8339 -3.5757 -3.5604 -3.5387 -3.5225 -3.1870 -3.1838 -3.1773 -3.1753 -2.9494 -2.9479 -2.9395 -2.9375 -1.8021 -1.7699 -1.6861 -1.6387 -0.2809 -0.2312 0.1218 0.1230 0.7170 0.7405 0.8215 0.8302 0.9291 0.9685 1.0543 1.0545 1.1283 1.1605 1.2060 1.3335 1.4962 1.5049 1.6425 1.6676 3.4493 3.5372 3.9816 4.0380 6.4318 6.4728 6.5647 6.5977 7.1732 7.2317 k = 0.0998 0.1499-0.0000 ( 11645 PWs) bands (ev): -11.6339 -11.6327 -11.6267 -11.6256 -9.8981 -9.8954 -9.8808 -9.8781 -5.1284 -5.1262 -5.1137 -5.1114 -4.8399 -4.8398 -4.8332 -4.8326 -3.5748 -3.5582 -3.5383 -3.5208 -3.1866 -3.1832 -3.1761 -3.1741 -2.9487 -2.9472 -2.9382 -2.9360 -1.7958 -1.7607 -1.6901 -1.6394 -0.2848 -0.2313 0.1093 0.1104 0.6880 0.7021 0.7889 0.8021 0.9136 0.9533 1.0355 1.0400 1.1054 1.1436 1.1856 1.3136 1.4639 1.4725 1.6106 1.6372 3.4822 3.5730 3.9764 4.0341 6.4632 6.5181 6.6247 6.6454 7.1518 7.2185 k = 0.1074 0.1615-0.0000 ( 11651 PWs) bands (ev): -11.6311 -11.6299 -11.6241 -11.6229 -9.8921 -9.8892 -9.8753 -9.8725 -5.1273 -5.1250 -5.1123 -5.1099 -4.8390 -4.8390 -4.8319 -4.8312 -3.5738 -3.5559 -3.5378 -3.5191 -3.1861 -3.1827 -3.1748 -3.1728 -2.9480 -2.9465 -2.9370 -2.9346 -1.7891 -1.7512 -1.6940 -1.6403 -0.2892 -0.2319 0.0961 0.0970 0.6583 0.6627 0.7546 0.7728 0.8972 0.9380 1.0150 1.0239 1.0824 1.1284 1.1614 1.2914 1.4329 1.4421 1.5781 1.6056 3.5150 3.6082 3.9706 4.0292 6.4896 6.5573 6.6800 6.6860 7.1392 7.2114 k = 0.1151 0.1730-0.0000 ( 11651 PWs) bands (ev): -11.6281 -11.6269 -11.6214 -11.6202 -9.8858 -9.8827 -9.8696 -9.8666 -5.1261 -5.1237 -5.1109 -5.1084 -4.8381 -4.8381 -4.8306 -4.8298 -3.5726 -3.5536 -3.5373 -3.5174 -3.1856 -3.1820 -3.1735 -3.1714 -2.9474 -2.9457 -2.9358 -2.9332 -1.7821 -1.7414 -1.6977 -1.6412 -0.2940 -0.2331 0.0820 0.0828 0.6229 0.6282 0.7192 0.7424 0.8798 0.9223 0.9932 1.0051 1.0602 1.1148 1.1336 1.2672 1.4036 1.4145 1.5454 1.5730 3.5474 3.6423 3.9643 4.0232 6.5107 6.5890 6.7170 6.7269 7.1375 7.2122 k = 0.1228 0.1845-0.0000 ( 11659 PWs) bands (ev): -11.6250 -11.6237 -11.6186 -11.6173 -9.8791 -9.8760 -9.8636 -9.8604 -5.1248 -5.1223 -5.1093 -5.1067 -4.8372 -4.8371 -4.8293 -4.8284 -3.5715 -3.5513 -3.5366 -3.5157 -3.1849 -3.1813 -3.1721 -3.1700 -2.9467 -2.9450 -2.9346 -2.9318 -1.7747 -1.7314 -1.7013 -1.6422 -0.2994 -0.2350 0.0673 0.0679 0.5831 0.5980 0.6829 0.7110 0.8616 0.9061 0.9702 0.9833 1.0388 1.0972 1.1075 1.2414 1.3761 1.3898 1.5129 1.5398 3.5788 3.6750 3.9574 4.0162 6.5268 6.6122 6.7368 6.7623 7.1476 7.2225 k = 0.1305 0.1961-0.0000 ( 11659 PWs) bands (ev): -11.6219 -11.6205 -11.6157 -11.6143 -9.8722 -9.8689 -9.8573 -9.8540 -5.1235 -5.1209 -5.1077 -5.1050 -4.8362 -4.8361 -4.8280 -4.8270 -3.5702 -3.5490 -3.5359 -3.5139 -3.1843 -3.1806 -3.1706 -3.1684 -2.9460 -2.9443 -2.9335 -2.9306 -1.7671 -1.7214 -1.7044 -1.6431 -0.3053 -0.2376 0.0519 0.0523 0.5439 0.5682 0.6460 0.6790 0.8426 0.8890 0.9461 0.9590 1.0178 1.0633 1.0954 1.2150 1.3504 1.3681 1.4810 1.5064 3.6091 3.7059 3.9501 4.0083 6.5385 6.6269 6.7458 6.7843 7.1685 7.2430 k = 0.1381 0.2076-0.0000 ( 11649 PWs) bands (ev): -11.6186 -11.6172 -11.6126 -11.6112 -9.8651 -9.8617 -9.8508 -9.8474 -5.1220 -5.1194 -5.1060 -5.1033 -4.8352 -4.8350 -4.8266 -4.8255 -3.5689 -3.5467 -3.5350 -3.5121 -3.1835 -3.1797 -3.1690 -3.1669 -2.9453 -2.9437 -2.9326 -2.9294 -1.7593 -1.7133 -1.7052 -1.6440 -0.3118 -0.2409 0.0359 0.0360 0.5056 0.5388 0.6089 0.6467 0.8231 0.8709 0.9208 0.9327 0.9959 1.0245 1.0863 1.1889 1.3263 1.3493 1.4502 1.4732 3.6379 3.7347 3.9424 3.9993 6.5465 6.6340 6.7463 6.7935 7.1976 7.2721 k = 0.1458 0.2191-0.0000 ( 11645 PWs) bands (ev): -11.6152 -11.6138 -11.6095 -11.6081 -9.8578 -9.8543 -9.8441 -9.8406 -5.1205 -5.1178 -5.1042 -5.1014 -4.8341 -4.8340 -4.8253 -4.8241 -3.5676 -3.5445 -3.5340 -3.5104 -3.1826 -3.1788 -3.1674 -3.1652 -2.9446 -2.9430 -2.9317 -2.9284 -1.7514 -1.7128 -1.6981 -1.6449 -0.3189 -0.2450 0.0191 0.0192 0.4683 0.5102 0.5719 0.6142 0.8035 0.8517 0.8943 0.9051 0.9723 0.9831 1.0781 1.1642 1.3038 1.3330 1.4207 1.4404 3.6650 3.7608 3.9347 3.9894 6.5520 6.6349 6.7407 6.7922 7.2318 7.3063 k = 0.1535 0.2307-0.0000 ( 11649 PWs) bands (ev): -11.6118 -11.6103 -11.6064 -11.6049 -9.8503 -9.8467 -9.8373 -9.8337 -5.1188 -5.1161 -5.1023 -5.0995 -4.8331 -4.8329 -4.8240 -4.8227 -3.5662 -3.5425 -3.5328 -3.5086 -3.1817 -3.1778 -3.1657 -3.1635 -2.9440 -2.9424 -2.9310 -2.9275 -1.7435 -1.7149 -1.6880 -1.6456 -0.3266 -0.2499 0.0016 0.0020 0.4323 0.4825 0.5350 0.5820 0.7840 0.8313 0.8661 0.8769 0.9401 0.9461 1.0707 1.1418 1.2830 1.3187 1.3928 1.4086 3.6901 3.7839 3.9271 3.9787 6.5559 6.6311 6.7315 6.7832 7.2683 7.3425 k = 0.1612 0.2422-0.0000 ( 11653 PWs) bands (ev): -11.6083 -11.6068 -11.6031 -11.6016 -9.8427 -9.8390 -9.8303 -9.8266 -5.1171 -5.1143 -5.1003 -5.0976 -4.8320 -4.8318 -4.8227 -4.8213 -3.5648 -3.5406 -3.5314 -3.5069 -3.1807 -3.1767 -3.1639 -3.1617 -2.9434 -2.9419 -2.9304 -2.9267 -1.7355 -1.7170 -1.6778 -1.6462 -0.3348 -0.2555 -0.0164 -0.0158 0.3978 0.4558 0.4987 0.5501 0.7650 0.8093 0.8360 0.8485 0.8966 0.9171 1.0636 1.1219 1.2638 1.3058 1.3664 1.3785 3.7131 3.8032 3.9204 3.9672 6.5589 6.6238 6.7203 6.7691 7.3047 7.3776 k = 0.1688 0.2537-0.0000 ( 11647 PWs) bands (ev): -11.6048 -11.6032 -11.5998 -11.5983 -9.8349 -9.8312 -9.8232 -9.8195 -5.1153 -5.1125 -5.0983 -5.0955 -4.8309 -4.8307 -4.8214 -4.8200 -3.5633 -3.5390 -3.5298 -3.5052 -3.1796 -3.1755 -3.1621 -3.1599 -2.9428 -2.9414 -2.9299 -2.9261 -1.7277 -1.7188 -1.6676 -1.6465 -0.3436 -0.2619 -0.0350 -0.0341 0.3649 0.4301 0.4631 0.5188 0.7467 0.7854 0.8033 0.8207 0.8536 0.8856 1.0566 1.1047 1.2466 1.2929 1.3417 1.3514 3.7337 3.8176 3.9155 3.9551 6.5616 6.6142 6.7084 6.7518 7.3391 7.4096 k = 0.1765 0.2653-0.0000 ( 11639 PWs) bands (ev): -11.6012 -11.5997 -11.5965 -11.5950 -9.8271 -9.8234 -9.8160 -9.8123 -5.1134 -5.1106 -5.0962 -5.0935 -4.8299 -4.8297 -4.8201 -4.8187 -3.5619 -3.5376 -3.5279 -3.5036 -3.1784 -3.1743 -3.1602 -3.1581 -2.9423 -2.9409 -2.9296 -2.9257 -1.7203 -1.7200 -1.6576 -1.6466 -0.3529 -0.2691 -0.0540 -0.0529 0.3338 0.4052 0.4287 0.4883 0.7291 0.7586 0.7675 0.7944 0.8125 0.8528 1.0497 1.0896 1.2314 1.2780 1.3186 1.3295 3.7518 3.8260 3.9135 3.9423 6.5645 6.6027 6.6969 6.7326 7.3695 7.4361 k = 0.1842 0.2768-0.0000 ( 11633 PWs) bands (ev): -11.5977 -11.5961 -11.5932 -11.5917 -9.8193 -9.8156 -9.8088 -9.8051 -5.1115 -5.1087 -5.0940 -5.0914 -4.8288 -4.8286 -4.8190 -4.8174 -3.5603 -3.5363 -3.5259 -3.5020 -3.1771 -3.1730 -3.1583 -3.1562 -2.9417 -2.9405 -2.9295 -2.9255 -1.7213 -1.7126 -1.6480 -1.6463 -0.3626 -0.2771 -0.0735 -0.0723 0.3046 0.3800 0.3967 0.4586 0.7117 0.7286 0.7291 0.7691 0.7743 0.8204 1.0425 1.0760 1.2183 1.2588 1.2970 1.3148 3.7673 3.8279 3.9150 3.9292 6.5676 6.5899 6.6864 6.7127 7.3940 7.4546 k = 0.1919 0.2883-0.0000 ( 11637 PWs) bands (ev): -11.5941 -11.5926 -11.5899 -11.5883 -9.8115 -9.8077 -9.8015 -9.7978 -5.1095 -5.1067 -5.0918 -5.0892 -4.8278 -4.8276 -4.8178 -4.8163 -3.5588 -3.5353 -3.5237 -3.5005 -3.1758 -3.1717 -3.1564 -3.1543 -2.9412 -2.9402 -2.9295 -2.9254 -1.7218 -1.7056 -1.6456 -1.6388 -0.3728 -0.2857 -0.0935 -0.0922 0.2773 0.3520 0.3697 0.4299 0.6854 0.6961 0.6966 0.7402 0.7427 0.7914 1.0349 1.0632 1.2076 1.2362 1.2771 1.3068 3.7800 3.8242 3.9158 3.9191 6.5710 6.5760 6.6775 6.6928 7.4099 7.4627 k = 0.1995 0.2999-0.0000 ( 11639 PWs) bands (ev): -11.5906 -11.5890 -11.5866 -11.5850 -9.8036 -9.8000 -9.7943 -9.7906 -5.1074 -5.1046 -5.0896 -5.0870 -4.8267 -4.8266 -4.8167 -4.8152 -3.5573 -3.5343 -3.5215 -3.4991 -3.1744 -3.1702 -3.1544 -3.1524 -2.9408 -2.9398 -2.9296 -2.9256 -1.7219 -1.6991 -1.6445 -1.6302 -0.3833 -0.2950 -0.1140 -0.1126 0.2519 0.3212 0.3478 0.4021 0.6449 0.6619 0.6729 0.7123 0.7137 0.7689 1.0267 1.0507 1.1990 1.2123 1.2588 1.3030 3.7897 3.8166 3.9025 3.9242 6.5614 6.5743 6.6704 6.6742 7.4156 7.4612 k = 0.2072 0.3114-0.0000 ( 11627 PWs) bands (ev): -11.5870 -11.5855 -11.5833 -11.5818 -9.7959 -9.7923 -9.7870 -9.7834 -5.1052 -5.1025 -5.0873 -5.0848 -4.8258 -4.8257 -4.8157 -4.8142 -3.5558 -3.5334 -3.5193 -3.4977 -3.1729 -3.1687 -3.1524 -3.1505 -2.9403 -2.9395 -2.9300 -2.9258 -1.7215 -1.6931 -1.6428 -1.6220 -0.3942 -0.3048 -0.1350 -0.1335 0.2285 0.2901 0.3286 0.3753 0.6041 0.6265 0.6425 0.6784 0.6970 0.7530 1.0177 1.0379 1.1886 1.1924 1.2424 1.3022 3.7961 3.8065 3.8896 3.9288 6.5464 6.5763 6.6582 6.6650 7.4123 7.4534 k = 0.2149 0.3229-0.0000 ( 11627 PWs) bands (ev): -11.5836 -11.5821 -11.5800 -11.5785 -9.7882 -9.7847 -9.7798 -9.7763 -5.1030 -5.1004 -5.0849 -5.0826 -4.8248 -4.8248 -4.8148 -4.8132 -3.5542 -3.5326 -3.5171 -3.4964 -3.1714 -3.1672 -3.1504 -3.1486 -2.9398 -2.9392 -2.9304 -2.9263 -1.7206 -1.6879 -1.6405 -1.6145 -0.4053 -0.3153 -0.1566 -0.1548 0.2070 0.2596 0.3111 0.3494 0.5648 0.5905 0.6078 0.6432 0.6871 0.7423 1.0078 1.0246 1.1659 1.1870 1.2283 1.3035 3.7948 3.7988 3.8776 3.9323 6.5316 6.5752 6.6471 6.6614 7.4028 7.4425 k = 0.2225 0.3345-0.0000 ( 11621 PWs) bands (ev): -11.5801 -11.5787 -11.5767 -11.5753 -9.7806 -9.7772 -9.7727 -9.7693 -5.1007 -5.0982 -5.0825 -5.0803 -4.8239 -4.8239 -4.8139 -4.8124 -3.5527 -3.5318 -3.5149 -3.4953 -3.1698 -3.1656 -3.1485 -3.1467 -2.9394 -2.9390 -2.9310 -2.9269 -1.7193 -1.6834 -1.6376 -1.6077 -0.4167 -0.3263 -0.1786 -0.1767 0.1874 0.2301 0.2951 0.3244 0.5279 0.5539 0.5715 0.6083 0.6811 0.7357 0.9967 1.0105 1.1445 1.1817 1.2175 1.3064 3.7822 3.7973 3.8672 3.9342 6.5171 6.5691 6.6430 6.6594 7.3903 7.4304 k = 0.2302 0.3460-0.0000 ( 11621 PWs) bands (ev): -11.5768 -11.5754 -11.5735 -11.5722 -9.7731 -9.7699 -9.7656 -9.7624 -5.0983 -5.0959 -5.0801 -5.0781 -4.8231 -4.8230 -4.8132 -4.8116 -3.5511 -3.5311 -3.5128 -3.4942 -3.1681 -3.1639 -3.1465 -3.1448 -2.9389 -2.9387 -2.9317 -2.9277 -1.7177 -1.6797 -1.6341 -1.6015 -0.4283 -0.3377 -0.2011 -0.1990 0.1695 0.2018 0.2803 0.3002 0.4938 0.5172 0.5348 0.5748 0.6781 0.7326 0.9845 0.9957 1.1248 1.1750 1.2111 1.3107 3.7689 3.7915 3.8586 3.9343 6.5036 6.5587 6.6455 6.6589 7.3765 7.4185 k = 0.2379 0.3575-0.0000 ( 11621 PWs) bands (ev): -11.5735 -11.5722 -11.5704 -11.5691 -9.7658 -9.7629 -9.7587 -9.7557 -5.0960 -5.0937 -5.0777 -5.0758 -4.8224 -4.8222 -4.8125 -4.8109 -3.5496 -3.5304 -3.5107 -3.4933 -3.1664 -3.1622 -3.1445 -3.1429 -2.9385 -2.9384 -2.9324 -2.9286 -1.7157 -1.6768 -1.6301 -1.5960 -0.4400 -0.3497 -0.2240 -0.2216 0.1532 0.1750 0.2665 0.2767 0.4631 0.4804 0.4983 0.5433 0.6777 0.7327 0.9710 0.9804 1.1068 1.1664 1.2093 1.3160 3.7550 3.7818 3.8515 3.9326 6.4912 6.5461 6.6526 6.6597 7.3628 7.4075 k = 0.2456 0.3691-0.0000 ( 11617 PWs) bands (ev): -11.5703 -11.5691 -11.5673 -11.5661 -9.7587 -9.7560 -9.7519 -9.7491 -5.0935 -5.0914 -5.0752 -5.0735 -4.8217 -4.8215 -4.8119 -4.8104 -3.5481 -3.5298 -3.5087 -3.4925 -3.1646 -3.1605 -3.1426 -3.1411 -2.9381 -2.9380 -2.9333 -2.9297 -1.7134 -1.6744 -1.6257 -1.5913 -0.4520 -0.3621 -0.2473 -0.2446 0.1382 0.1499 0.2537 0.2540 0.4360 0.4441 0.4626 0.5142 0.6796 0.7358 0.9566 0.9647 1.0905 1.1568 1.2108 1.3223 3.7408 3.7692 3.8451 3.9291 6.4803 6.5333 6.6617 6.6625 7.3499 7.3980 k = 0.2532 0.3806-0.0000 ( 11613 PWs) bands (ev): -11.5672 -11.5661 -11.5644 -11.5632 -9.7518 -9.7493 -9.7452 -9.7427 -5.0911 -5.0891 -5.0728 -5.0713 -4.8211 -4.8208 -4.8114 -4.8099 -3.5466 -3.5292 -3.5068 -3.4919 -3.1628 -3.1587 -3.1408 -3.1394 -2.9379 -2.9376 -2.9342 -2.9308 -1.7110 -1.6726 -1.6212 -1.5872 -0.4642 -0.3750 -0.2708 -0.2680 0.1243 0.1267 0.2322 0.2415 0.4085 0.4118 0.4291 0.4876 0.6836 0.7416 0.9417 0.9491 1.0758 1.1468 1.2145 1.3291 3.7263 3.7546 3.8385 3.9238 6.4713 6.5214 6.6648 6.6743 7.3381 7.3903 k = 0.2609 0.3921-0.0000 ( 11625 PWs) bands (ev): -11.5642 -11.5632 -11.5615 -11.5604 -9.7451 -9.7429 -9.7387 -9.7365 -5.0886 -5.0867 -5.0703 -5.0690 -4.8206 -4.8202 -4.8109 -4.8095 -3.5452 -3.5287 -3.5051 -3.4913 -3.1610 -3.1569 -3.1389 -3.1377 -2.9376 -2.9371 -2.9352 -2.9320 -1.7084 -1.6713 -1.6166 -1.5838 -0.4767 -0.3883 -0.2943 -0.2915 0.1057 0.1112 0.2117 0.2300 0.3739 0.3862 0.4023 0.4636 0.6892 0.7496 0.9268 0.9341 1.0626 1.1370 1.2196 1.3365 3.7115 3.7388 3.8312 3.9168 6.4644 6.5110 6.6690 6.6874 7.3277 7.3844 k = 0.2686 0.4037-0.0000 ( 11599 PWs) bands (ev): -11.5613 -11.5604 -11.5586 -11.5577 -9.7387 -9.7367 -9.7325 -9.7305 -5.0860 -5.0844 -5.0678 -5.0668 -4.8201 -4.8197 -4.8106 -4.8092 -3.5437 -3.5282 -3.5034 -3.4909 -3.1591 -3.1551 -3.1372 -3.1360 -2.9373 -2.9366 -2.9362 -2.9333 -1.7058 -1.6703 -1.6122 -1.5811 -0.4893 -0.4022 -0.3178 -0.3153 0.0871 0.0986 0.1929 0.2190 0.3408 0.3561 0.3853 0.4423 0.6959 0.7592 0.9128 0.9204 1.0505 1.1274 1.2256 1.3440 3.6965 3.7221 3.8231 3.9082 6.4599 6.5025 6.6743 6.7015 7.3186 7.3804 k = 0.2763 0.4152-0.0000 ( 11611 PWs) bands (ev): -11.5585 -11.5577 -11.5559 -11.5551 -9.7325 -9.7308 -9.7265 -9.7248 -5.0835 -5.0821 -5.0654 -5.0646 -4.8197 -4.8193 -4.8104 -4.8090 -3.5423 -3.5278 -3.5018 -3.4907 -3.1572 -3.1532 -3.1355 -3.1345 -2.9375 -2.9368 -2.9362 -2.9346 -1.7032 -1.6697 -1.6080 -1.5791 -0.5021 -0.4168 -0.3408 -0.3391 0.0711 0.0863 0.1761 0.2084 0.3094 0.3259 0.3740 0.4235 0.7030 0.7694 0.9006 0.9092 1.0394 1.1182 1.2321 1.3517 3.6812 3.7048 3.8138 3.8982 6.4580 6.4963 6.6804 6.7166 7.3108 7.3782 k = 0.2839 0.4267-0.0000 ( 11605 PWs) bands (ev): -11.5558 -11.5551 -11.5533 -11.5526 -9.7265 -9.7251 -9.7207 -9.7192 -5.0810 -5.0797 -5.0630 -5.0625 -4.8194 -4.8189 -4.8102 -4.8089 -3.5409 -3.5274 -3.5004 -3.4906 -3.1553 -3.1514 -3.1338 -3.1329 -2.9385 -2.9365 -2.9360 -2.9357 -1.7008 -1.6694 -1.6042 -1.5777 -0.5151 -0.4321 -0.3632 -0.3631 0.0578 0.0742 0.1616 0.1981 0.2799 0.2973 0.3665 0.4072 0.7097 0.7788 0.8913 0.9020 1.0291 1.1092 1.2388 1.3592 3.6658 3.6871 3.8034 3.8867 6.4589 6.4925 6.6875 6.7323 7.3041 7.3777 k = 0.2916 0.4383-0.0000 ( 11601 PWs) bands (ev): -11.5533 -11.5526 -11.5509 -11.5502 -9.7209 -9.7197 -9.7152 -9.7140 -5.0784 -5.0774 -5.0606 -5.0604 -4.8192 -4.8186 -4.8101 -4.8089 -3.5396 -3.5271 -3.4991 -3.4907 -3.1533 -3.1496 -3.1322 -3.1315 -2.9395 -2.9374 -2.9362 -2.9353 -1.6987 -1.6694 -1.6008 -1.5769 -0.5281 -0.4483 -0.3871 -0.3846 0.0474 0.0623 0.1495 0.1881 0.2526 0.2708 0.3619 0.3932 0.7150 0.7855 0.8861 0.9007 1.0198 1.1007 1.2455 1.3665 3.6501 3.6690 3.7918 3.8739 6.4626 6.4913 6.6955 6.7486 7.2981 7.3785 k = 0.2993 0.4498-0.0000 ( 11593 PWs) bands (ev): -11.5508 -11.5503 -11.5485 -11.5479 -9.7155 -9.7146 -9.7099 -9.7090 -5.0759 -5.0751 -5.0583 -5.0582 -4.8191 -4.8185 -4.8101 -4.8090 -3.5383 -3.5269 -3.4979 -3.4909 -3.1514 -3.1477 -3.1307 -3.1300 -2.9406 -2.9387 -2.9359 -2.9349 -1.6969 -1.6697 -1.5979 -1.5767 -0.5412 -0.4656 -0.4110 -0.4047 0.0399 0.0509 0.1396 0.1784 0.2277 0.2469 0.3598 0.3812 0.7180 0.7883 0.8857 0.9067 1.0114 1.0925 1.2520 1.3734 3.6342 3.6507 3.7792 3.8600 6.4694 6.4926 6.7043 6.7654 7.2925 7.3803 k = 0.3070 0.4613-0.0000 ( 11581 PWs) bands (ev): -11.5485 -11.5480 -11.5462 -11.5458 -9.7104 -9.7097 -9.7049 -9.7042 -5.0733 -5.0728 -5.0563 -5.0559 -4.8190 -4.8184 -4.8102 -4.8091 -3.5371 -3.5267 -3.4969 -3.4912 -3.1494 -3.1459 -3.1292 -3.1287 -2.9416 -2.9401 -2.9356 -2.9345 -1.6955 -1.6702 -1.5957 -1.5771 -0.5541 -0.4839 -0.4348 -0.4234 0.0351 0.0403 0.1314 0.1691 0.2056 0.2261 0.3596 0.3710 0.7188 0.7875 0.8901 0.9194 1.0043 1.0847 1.2581 1.3797 3.6181 3.6322 3.7656 3.8449 6.4791 6.4966 6.7140 6.7824 7.2868 7.3825 k = 0.3146 0.4729-0.0000 ( 11583 PWs) bands (ev): -11.5463 -11.5459 -11.5441 -11.5437 -9.7056 -9.7051 -9.7002 -9.6998 -5.0708 -5.0706 -5.0543 -5.0537 -4.8190 -4.8184 -4.8104 -4.8093 -3.5359 -3.5266 -3.4960 -3.4917 -3.1475 -3.1441 -3.1279 -3.1274 -2.9426 -2.9414 -2.9354 -2.9342 -1.6945 -1.6710 -1.5942 -1.5780 -0.5668 -0.5031 -0.4585 -0.4407 0.0308 0.0327 0.1243 0.1599 0.1869 0.2088 0.3607 0.3622 0.7178 0.7848 0.8980 0.9372 0.9994 1.0776 1.2637 1.3853 3.6017 3.6135 3.7510 3.8288 6.4917 6.5031 6.7245 6.7995 7.2803 7.3843 k = 0.3223 0.4844-0.0000 ( 11593 PWs) bands (ev): -11.5443 -11.5439 -11.5421 -11.5418 -9.7010 -9.7007 -9.6958 -9.6956 -5.0683 -5.0683 -5.0525 -5.0515 -4.8191 -4.8184 -4.8106 -4.8096 -3.5348 -3.5265 -3.4953 -3.4923 -3.1456 -3.1423 -3.1265 -3.1262 -2.9435 -2.9427 -2.9351 -2.9340 -1.6940 -1.6721 -1.5934 -1.5796 -0.5791 -0.5229 -0.4819 -0.4566 0.0227 0.0325 0.1176 0.1503 0.1723 0.1957 0.3546 0.3626 0.7164 0.7818 0.9072 0.9580 0.9980 1.0715 1.2687 1.3901 3.5850 3.5946 3.7355 3.8117 6.5070 6.5119 6.7358 6.8163 7.2724 7.3840 k = 0.3300 0.4959-0.0000 ( 11585 PWs) bands (ev): -11.5423 -11.5421 -11.5402 -11.5400 -9.6968 -9.6967 -9.6917 -9.6916 -5.0661 -5.0658 -5.0507 -5.0493 -4.8192 -4.8186 -4.8109 -4.8099 -3.5337 -3.5265 -3.4947 -3.4931 -3.1437 -3.1406 -3.1253 -3.1250 -2.9444 -2.9439 -2.9350 -2.9338 -1.6940 -1.6734 -1.5935 -1.5817 -0.5909 -0.5431 -0.5050 -0.4715 0.0163 0.0337 0.1107 0.1405 0.1626 0.1870 0.3479 0.3649 0.7156 0.7798 0.9145 0.9796 1.0022 1.0674 1.2728 1.3940 3.5681 3.5757 3.7192 3.7938 6.5228 6.5245 6.7477 6.8323 7.2621 7.3793 k = 0.3377 0.5075-0.0000 ( 11587 PWs) bands (ev): -11.5405 -11.5403 -11.5385 -11.5383 -9.6929 -9.6928 -9.6879 -9.6879 -5.0640 -5.0634 -5.0489 -5.0473 -4.8195 -4.8188 -4.8113 -4.8103 -3.5326 -3.5265 -3.4943 -3.4940 -3.1418 -3.1388 -3.1241 -3.1238 -2.9453 -2.9451 -2.9348 -2.9337 -1.6944 -1.6750 -1.5943 -1.5844 -0.6022 -0.5634 -0.5277 -0.4856 0.0115 0.0357 0.1034 0.1312 0.1574 0.1829 0.3419 0.3672 0.7165 0.7793 0.9176 0.9987 1.0136 1.0677 1.2762 1.3969 3.5510 3.5568 3.7022 3.7751 6.5354 6.5437 6.7604 6.8468 7.2487 7.3673 k = 0.3453 0.5190-0.0000 ( 11588 PWs) bands (ev): -11.5388 -11.5387 -11.5368 -11.5367 -9.6893 -9.6891 -9.6845 -9.6843 -5.0619 -5.0610 -5.0473 -5.0453 -4.8197 -4.8190 -4.8117 -4.8108 -3.5316 -3.5266 -3.4950 -3.4940 -3.1399 -3.1372 -3.1229 -3.1228 -2.9462 -2.9460 -2.9348 -2.9337 -1.6953 -1.6767 -1.5960 -1.5876 -0.6128 -0.5835 -0.5499 -0.4990 0.0086 0.0373 0.0961 0.1237 0.1563 0.1828 0.3367 0.3693 0.7196 0.7809 0.9164 1.0107 1.0313 1.0765 1.2786 1.3987 3.5336 3.5378 3.6845 3.7557 6.5493 6.5635 6.7736 6.8585 7.2318 7.3481 k = 0.3530 0.5305-0.0000 ( 11580 PWs) bands (ev): -11.5372 -11.5371 -11.5353 -11.5353 -9.6860 -9.6857 -9.6814 -9.6811 -5.0599 -5.0586 -5.0457 -5.0434 -4.8200 -4.8194 -4.8121 -4.8113 -3.5307 -3.5267 -3.4960 -3.4939 -3.1381 -3.1355 -3.1218 -3.1218 -2.9472 -2.9468 -2.9348 -2.9338 -1.6967 -1.6787 -1.5985 -1.5913 -0.6228 -0.6033 -0.5715 -0.5118 0.0074 0.0380 0.0891 0.1180 0.1595 0.1861 0.3323 0.3711 0.7255 0.7846 0.9124 1.0138 1.0536 1.0951 1.2801 1.3994 3.5161 3.5188 3.6662 3.7357 6.5637 6.5827 6.7872 6.8659 7.2118 7.3255 k = 0.3607 0.5421-0.0000 ( 11578 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6830 -9.6826 -9.6785 -9.6781 -5.0579 -5.0563 -5.0442 -5.0416 -4.8204 -4.8197 -4.8126 -4.8118 -3.5298 -3.5269 -3.4972 -3.4939 -3.1363 -3.1339 -3.1208 -3.1208 -2.9481 -2.9474 -2.9348 -2.9339 -1.6984 -1.6808 -1.6017 -1.5956 -0.6323 -0.6226 -0.5923 -0.5243 0.0077 0.0375 0.0828 0.1136 0.1674 0.1923 0.3290 0.3729 0.7340 0.7903 0.9069 1.0115 1.0787 1.1196 1.2808 1.3990 3.4984 3.5000 3.6475 3.7152 6.5781 6.5995 6.8007 6.8668 7.1902 7.3045 k = 0.3607 0.5421-0.0000 ( 11578 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6830 -9.6826 -9.6785 -9.6781 -5.0579 -5.0563 -5.0442 -5.0416 -4.8204 -4.8197 -4.8126 -4.8118 -3.5298 -3.5269 -3.4972 -3.4939 -3.1363 -3.1339 -3.1208 -3.1208 -2.9481 -2.9474 -2.9348 -2.9339 -1.6984 -1.6808 -1.6017 -1.5956 -0.6323 -0.6226 -0.5923 -0.5243 0.0077 0.0375 0.0828 0.1136 0.1674 0.1923 0.3290 0.3729 0.7340 0.7903 0.9069 1.0115 1.0787 1.1196 1.2808 1.3990 3.4984 3.5000 3.6475 3.7152 6.5781 6.5995 6.8007 6.8668 7.1902 7.3045 k = 0.3468 0.5421-0.0000 ( 11589 PWs) bands (ev): -11.5366 -11.5365 -11.5348 -11.5347 -9.6848 -9.6844 -9.6802 -9.6799 -5.0591 -5.0577 -5.0452 -5.0426 -4.8202 -4.8195 -4.8123 -4.8115 -3.5303 -3.5268 -3.4968 -3.4938 -3.1373 -3.1348 -3.1215 -3.1213 -2.9476 -2.9470 -2.9348 -2.9338 -1.6974 -1.6796 -1.6000 -1.5934 -0.6273 -0.6114 -0.5803 -0.5171 0.0028 0.0353 0.0769 0.1236 0.1641 0.1952 0.3329 0.3750 0.7294 0.7870 0.9108 1.0136 1.0646 1.1060 1.2804 1.3996 3.5078 3.5120 3.6577 3.7265 6.5705 6.5907 6.7924 6.8665 7.2030 7.3157 k = 0.3329 0.5421-0.0000 ( 11572 PWs) bands (ev): -11.5376 -11.5375 -11.5358 -11.5357 -9.6870 -9.6867 -9.6824 -9.6820 -5.0603 -5.0592 -5.0463 -5.0438 -4.8199 -4.8193 -4.8120 -4.8112 -3.5309 -3.5268 -3.4969 -3.4936 -3.1383 -3.1357 -3.1223 -3.1219 -2.9469 -2.9466 -2.9346 -2.9336 -1.6964 -1.6784 -1.5990 -1.5919 -0.6218 -0.5996 -0.5669 -0.5090 -0.0109 0.0287 0.0607 0.1340 0.1712 0.2115 0.3413 0.3831 0.7269 0.7844 0.9156 1.0153 1.0514 1.0947 1.2794 1.4003 3.5176 3.5255 3.6673 3.7372 6.5634 6.5811 6.7820 6.8621 7.2174 7.3286 k = 0.3191 0.5421-0.0000 ( 11588 PWs) bands (ev): -11.5388 -11.5387 -11.5369 -11.5368 -9.6896 -9.6892 -9.6849 -9.6845 -5.0617 -5.0608 -5.0477 -5.0452 -4.8197 -4.8190 -4.8117 -4.8108 -3.5316 -3.5269 -3.4974 -3.4934 -3.1394 -3.1367 -3.1232 -3.1226 -2.9462 -2.9460 -2.9344 -2.9333 -1.6955 -1.6773 -1.5986 -1.5912 -0.6154 -0.5878 -0.5527 -0.5003 -0.0307 0.0192 0.0417 0.1309 0.1956 0.2376 0.3542 0.3967 0.7267 0.7825 0.9212 1.0160 1.0397 1.0869 1.2778 1.4010 3.5281 3.5398 3.6757 3.7468 6.5566 6.5710 6.7695 6.8535 7.2334 7.3428 k = 0.3052 0.5421-0.0000 ( 11589 PWs) bands (ev): -11.5401 -11.5400 -11.5382 -11.5380 -9.6925 -9.6920 -9.6877 -9.6873 -5.0633 -5.0625 -5.0493 -5.0467 -4.8194 -4.8187 -4.8114 -4.8105 -3.5323 -3.5271 -3.4983 -3.4934 -3.1405 -3.1376 -3.1241 -3.1233 -2.9454 -2.9453 -2.9341 -2.9330 -1.6945 -1.6762 -1.5987 -1.5914 -0.6082 -0.5762 -0.5379 -0.4910 -0.0534 0.0055 0.0240 0.1209 0.2286 0.2698 0.3712 0.4145 0.7293 0.7817 0.9268 1.0151 1.0302 1.0834 1.2757 1.4019 3.5390 3.5546 3.6828 3.7549 6.5501 6.5604 6.7551 6.8406 7.2507 7.3581 k = 0.2913 0.5421-0.0000 ( 11588 PWs) bands (ev): -11.5416 -11.5413 -11.5396 -11.5394 -9.6956 -9.6951 -9.6908 -9.6903 -5.0649 -5.0643 -5.0511 -5.0483 -4.8191 -4.8184 -4.8111 -4.8102 -3.5332 -3.5274 -3.4995 -3.4937 -3.1415 -3.1385 -3.1252 -3.1242 -2.9446 -2.9444 -2.9337 -2.9326 -1.6934 -1.6751 -1.5994 -1.5922 -0.6003 -0.5650 -0.5231 -0.4815 -0.0769 -0.0130 0.0099 0.1082 0.2656 0.3058 0.3921 0.4352 0.7350 0.7819 0.9316 1.0127 1.0242 1.0846 1.2732 1.4031 3.5500 3.5695 3.6883 3.7612 6.5434 6.5496 6.7388 6.8237 7.2692 7.3737 k = 0.2774 0.5421-0.0000 ( 11594 PWs) bands (ev): -11.5431 -11.5428 -11.5411 -11.5409 -9.6990 -9.6984 -9.6942 -9.6936 -5.0666 -5.0662 -5.0531 -5.0502 -4.8188 -4.8181 -4.8108 -4.8098 -3.5342 -3.5278 -3.5010 -3.4943 -3.1426 -3.1394 -3.1263 -3.1251 -2.9436 -2.9433 -2.9332 -2.9320 -1.6922 -1.6742 -1.6007 -1.5938 -0.5920 -0.5544 -0.5087 -0.4719 -0.1000 -0.0335 -0.0019 0.0940 0.3047 0.3440 0.4163 0.4575 0.7443 0.7833 0.9343 1.0099 1.0233 1.0897 1.2703 1.4045 3.5607 3.5841 3.6921 3.7653 6.5359 6.5387 6.7210 6.8033 7.2887 7.3890 k = 0.2636 0.5421-0.0000 ( 11609 PWs) bands (ev): -11.5447 -11.5443 -11.5427 -11.5424 -9.7026 -9.7018 -9.6977 -9.6970 -5.0684 -5.0681 -5.0552 -5.0521 -4.8185 -4.8178 -4.8105 -4.8095 -3.5353 -3.5283 -3.5028 -3.4952 -3.1435 -3.1403 -3.1275 -3.1261 -2.9425 -2.9421 -2.9326 -2.9314 -1.6910 -1.6734 -1.6024 -1.5960 -0.5836 -0.5445 -0.4951 -0.4626 -0.1218 -0.0538 -0.0127 0.0791 0.3451 0.3828 0.4438 0.4804 0.7575 0.7863 0.9343 1.0080 1.0286 1.0979 1.2671 1.4065 3.5708 3.5978 3.6943 3.7674 6.5249 6.5297 6.7021 6.7797 7.3087 7.4031 k = 0.2497 0.5421-0.0000 ( 11601 PWs) bands (ev): -11.5463 -11.5459 -11.5444 -11.5440 -9.7062 -9.7054 -9.7014 -9.7006 -5.0703 -5.0700 -5.0574 -5.0542 -4.8181 -4.8174 -4.8102 -4.8092 -3.5365 -3.5289 -3.5048 -3.4965 -3.1445 -3.1411 -3.1286 -3.1271 -2.9413 -2.9408 -2.9318 -2.9306 -1.6897 -1.6728 -1.6045 -1.5985 -0.5755 -0.5355 -0.4828 -0.4539 -0.1416 -0.0731 -0.0225 0.0639 0.3856 0.4211 0.4742 0.5032 0.7745 0.7909 0.9321 1.0081 1.0398 1.1084 1.2638 1.4091 3.5794 3.6101 3.6951 3.7674 6.5115 6.5205 6.6826 6.7534 7.3287 7.4149 k = 0.2358 0.5421-0.0000 ( 11605 PWs) bands (ev): -11.5480 -11.5476 -11.5461 -11.5457 -9.7100 -9.7090 -9.7052 -9.7043 -5.0723 -5.0718 -5.0597 -5.0564 -4.8177 -4.8170 -4.8099 -4.8088 -3.5378 -3.5296 -3.5071 -3.4980 -3.1453 -3.1419 -3.1298 -3.1281 -2.9400 -2.9393 -2.9309 -2.9297 -1.6884 -1.6724 -1.6071 -1.6014 -0.5680 -0.5276 -0.4727 -0.4461 -0.1589 -0.0907 -0.0311 0.0490 0.4255 0.4576 0.5074 0.5254 0.7948 0.7976 0.9291 1.0113 1.0560 1.1210 1.2605 1.4125 3.5860 3.6203 3.6949 3.7656 6.4965 6.5095 6.6630 6.7248 7.3479 7.4234 k = 0.2220 0.5421-0.0000 ( 11609 PWs) bands (ev): -11.5497 -11.5493 -11.5478 -11.5473 -9.7138 -9.7127 -9.7091 -9.7080 -5.0743 -5.0736 -5.0621 -5.0586 -4.8173 -4.8166 -4.8096 -4.8086 -3.5392 -3.5305 -3.5097 -3.4998 -3.1461 -3.1426 -3.1310 -3.1292 -2.9385 -2.9378 -2.9300 -2.9287 -1.6871 -1.6722 -1.6100 -1.6043 -0.5615 -0.5210 -0.4653 -0.4393 -0.1730 -0.1065 -0.0382 0.0344 0.4637 0.4919 0.5428 0.5467 0.8057 0.8181 0.9267 1.0187 1.0762 1.1354 1.2574 1.4169 3.5895 3.6277 3.6944 3.7627 6.4795 6.4959 6.6435 6.6944 7.3655 7.4278 k = 0.2081 0.5421-0.0000 ( 11603 PWs) bands (ev): -11.5514 -11.5509 -11.5495 -11.5490 -9.7176 -9.7164 -9.7130 -9.7118 -5.0762 -5.0754 -5.0645 -5.0609 -4.8168 -4.8161 -4.8094 -4.8083 -3.5407 -3.5314 -3.5124 -3.5019 -3.1468 -3.1432 -3.1322 -3.1303 -2.9370 -2.9362 -2.9289 -2.9277 -1.6858 -1.6722 -1.6132 -1.6071 -0.5563 -0.5158 -0.4612 -0.4336 -0.1836 -0.1203 -0.0437 0.0205 0.4991 0.5239 0.5674 0.5792 0.8163 0.8420 0.9260 1.0312 1.0995 1.1514 1.2549 1.4225 3.5892 3.6315 3.6940 3.7595 6.4601 6.4794 6.6242 6.6627 7.3803 7.4278 k = 0.1942 0.5421-0.0000 ( 11598 PWs) bands (ev): -11.5531 -11.5526 -11.5513 -11.5507 -9.7213 -9.7201 -9.7168 -9.7155 -5.0782 -5.0772 -5.0668 -5.0633 -4.8163 -4.8156 -4.8091 -4.8080 -3.5422 -3.5324 -3.5154 -3.5042 -3.1474 -3.1437 -3.1334 -3.1314 -2.9354 -2.9345 -2.9278 -2.9266 -1.6847 -1.6725 -1.6166 -1.6098 -0.5526 -0.5118 -0.4604 -0.4293 -0.1906 -0.1320 -0.0476 0.0074 0.5311 0.5530 0.5886 0.6151 0.8288 0.8653 0.9277 1.0495 1.1251 1.1690 1.2534 1.4295 3.5845 3.6311 3.6939 3.7569 6.4383 6.4598 6.6047 6.6302 7.3910 7.4238 k = 0.1803 0.5421-0.0000 ( 11608 PWs) bands (ev): -11.5547 -11.5542 -11.5530 -11.5524 -9.7250 -9.7236 -9.7206 -9.7192 -5.0801 -5.0790 -5.0692 -5.0656 -4.8158 -4.8152 -4.8089 -4.8078 -3.5437 -3.5334 -3.5184 -3.5067 -3.1479 -3.1442 -3.1345 -3.1324 -2.9338 -2.9328 -2.9266 -2.9254 -1.6836 -1.6731 -1.6200 -1.6123 -0.5506 -0.5093 -0.4626 -0.4268 -0.1942 -0.1414 -0.0501 -0.0048 0.5594 0.5777 0.6117 0.6495 0.8434 0.8866 0.9325 1.0736 1.1512 1.1885 1.2541 1.4380 3.5756 3.6262 3.6942 3.7554 6.4139 6.4371 6.5839 6.5982 7.3957 7.4175 k = 0.1665 0.5421-0.0000 ( 11612 PWs) bands (ev): -11.5563 -11.5558 -11.5546 -11.5540 -9.7286 -9.7271 -9.7242 -9.7228 -5.0818 -5.0806 -5.0715 -5.0680 -4.8153 -4.8147 -4.8087 -4.8077 -3.5453 -3.5344 -3.5216 -3.5093 -3.1482 -3.1445 -3.1355 -3.1334 -2.9321 -2.9311 -2.9255 -2.9242 -1.6828 -1.6738 -1.6233 -1.6147 -0.5502 -0.5082 -0.4668 -0.4261 -0.1949 -0.1488 -0.0513 -0.0158 0.5837 0.5979 0.6367 0.6816 0.8600 0.9054 0.9406 1.1024 1.1748 1.2114 1.2585 1.4482 3.5632 3.6166 3.6948 3.7550 6.3874 6.4116 6.5578 6.5702 7.3913 7.4124 k = 0.1526 0.5421-0.0000 ( 11618 PWs) bands (ev): -11.5579 -11.5573 -11.5562 -11.5556 -9.7320 -9.7304 -9.7278 -9.7262 -5.0835 -5.0822 -5.0738 -5.0702 -4.8148 -4.8142 -4.8085 -4.8075 -3.5468 -3.5355 -3.5247 -3.5121 -3.1485 -3.1448 -3.1366 -3.1344 -2.9304 -2.9294 -2.9243 -2.9230 -1.6821 -1.6748 -1.6263 -1.6168 -0.5513 -0.5089 -0.4720 -0.4272 -0.1935 -0.1543 -0.0516 -0.0254 0.6033 0.6159 0.6619 0.7108 0.8789 0.9218 0.9518 1.1333 1.1924 1.2393 1.2687 1.4599 3.5482 3.6027 3.6957 3.7552 6.3591 6.3836 6.5263 6.5464 7.3792 7.4079 k = 0.1387 0.5421-0.0000 ( 11614 PWs) bands (ev): -11.5593 -11.5587 -11.5577 -11.5571 -9.7352 -9.7336 -9.7311 -9.7295 -5.0851 -5.0837 -5.0759 -5.0725 -4.8142 -4.8137 -4.8084 -4.8074 -3.5482 -3.5365 -3.5279 -3.5148 -3.1486 -3.1449 -3.1376 -3.1353 -2.9288 -2.9277 -2.9232 -2.9219 -1.6817 -1.6759 -1.6289 -1.6189 -0.5536 -0.5117 -0.4770 -0.4299 -0.1910 -0.1579 -0.0514 -0.0334 0.6179 0.6330 0.6862 0.7369 0.8998 0.9366 0.9650 1.1611 1.2072 1.2705 1.2859 1.4731 3.5315 3.5856 3.6968 3.7553 6.3296 6.3536 6.4940 6.5223 7.3640 7.4014 k = 0.1249 0.5421-0.0000 ( 11618 PWs) bands (ev): -11.5607 -11.5601 -11.5591 -11.5585 -9.7381 -9.7366 -9.7341 -9.7326 -5.0866 -5.0851 -5.0780 -5.0746 -4.8137 -4.8132 -4.8082 -4.8074 -3.5495 -3.5374 -3.5310 -3.5176 -3.1487 -3.1450 -3.1385 -3.1362 -2.9272 -2.9261 -2.9221 -2.9208 -1.6816 -1.6771 -1.6311 -1.6207 -0.5567 -0.5168 -0.4809 -0.4339 -0.1882 -0.1600 -0.0516 -0.0392 0.6293 0.6477 0.7095 0.7600 0.9222 0.9507 0.9790 1.1771 1.2291 1.2986 1.3125 1.4874 3.5139 3.5664 3.6977 3.7547 6.2997 6.3224 6.4622 6.4968 7.3480 7.3924 k = 0.1110 0.5421-0.0000 ( 11626 PWs) bands (ev): -11.5619 -11.5613 -11.5604 -11.5598 -9.7409 -9.7394 -9.7370 -9.7355 -5.0879 -5.0863 -5.0798 -5.0766 -4.8132 -4.8127 -4.8082 -4.8074 -3.5507 -3.5383 -3.5340 -3.5204 -3.1486 -3.1449 -3.1394 -3.1370 -2.9257 -2.9245 -2.9211 -2.9198 -1.6817 -1.6783 -1.6328 -1.6224 -0.5603 -0.5238 -0.4834 -0.4388 -0.1856 -0.1609 -0.0529 -0.0420 0.6387 0.6593 0.7319 0.7801 0.9448 0.9655 0.9926 1.1817 1.2587 1.3221 1.3464 1.5023 3.4963 3.5459 3.6985 3.7532 6.2700 6.2909 6.4318 6.4699 7.3324 7.3814 k = 0.0971 0.5421-0.0000 ( 11630 PWs) bands (ev): -11.5630 -11.5625 -11.5616 -11.5610 -9.7433 -9.7419 -9.7395 -9.7381 -5.0890 -5.0875 -5.0815 -5.0785 -4.8127 -4.8122 -4.8082 -4.8074 -3.5517 -3.5392 -3.5366 -3.5230 -3.1485 -3.1448 -3.1403 -3.1378 -2.9242 -2.9231 -2.9202 -2.9188 -1.6820 -1.6796 -1.6340 -1.6240 -0.5640 -0.5318 -0.4849 -0.4442 -0.1835 -0.1611 -0.0549 -0.0426 0.6467 0.6679 0.7533 0.7974 0.9645 0.9825 1.0056 1.1812 1.2899 1.3445 1.3814 1.5170 3.4794 3.5252 3.6992 3.7506 6.2414 6.2599 6.4032 6.4424 7.3184 7.3691 k = 0.0832 0.5421-0.0000 ( 11632 PWs) bands (ev): -11.5640 -11.5635 -11.5626 -11.5620 -9.7455 -9.7442 -9.7417 -9.7404 -5.0900 -5.0885 -5.0830 -5.0802 -4.8122 -4.8117 -4.8082 -4.8075 -3.5525 -3.5408 -3.5383 -3.5256 -3.1483 -3.1446 -3.1412 -3.1386 -2.9229 -2.9218 -2.9194 -2.9180 -1.6825 -1.6807 -1.6348 -1.6254 -0.5675 -0.5400 -0.4856 -0.4499 -0.1817 -0.1613 -0.0562 -0.0424 0.6535 0.6738 0.7733 0.8122 0.9793 1.0009 1.0195 1.1784 1.3197 1.3656 1.4155 1.5309 3.4639 3.5050 3.6999 3.7470 6.2146 6.2305 6.3771 6.4149 7.3063 7.3559 k = 0.0694 0.5421-0.0000 ( 11638 PWs) bands (ev): -11.5649 -11.5644 -11.5634 -11.5630 -9.7473 -9.7462 -9.7435 -9.7424 -5.0908 -5.0894 -5.0842 -5.0817 -4.8117 -4.8112 -4.8082 -4.8076 -3.5531 -3.5430 -3.5389 -3.5280 -3.1480 -3.1444 -3.1420 -3.1393 -2.9217 -2.9206 -2.9187 -2.9174 -1.6831 -1.6818 -1.6351 -1.6268 -0.5707 -0.5478 -0.4858 -0.4556 -0.1802 -0.1619 -0.0565 -0.0421 0.6595 0.6776 0.7916 0.8244 0.9911 1.0141 1.0377 1.1742 1.3469 1.3845 1.4474 1.5429 3.4504 3.4860 3.7009 3.7424 6.1903 6.2036 6.3541 6.3886 7.2967 7.3423 k = 0.0555 0.5421-0.0000 ( 11644 PWs) bands (ev): -11.5655 -11.5651 -11.5641 -11.5637 -9.7488 -9.7479 -9.7451 -9.7441 -5.0915 -5.0902 -5.0852 -5.0831 -4.8112 -4.8108 -4.8083 -4.8078 -3.5534 -3.5452 -3.5390 -3.5302 -3.1476 -3.1441 -3.1427 -3.1400 -2.9207 -2.9196 -2.9181 -2.9168 -1.6837 -1.6827 -1.6351 -1.6281 -0.5731 -0.5550 -0.4854 -0.4611 -0.1787 -0.1630 -0.0556 -0.0423 0.6646 0.6798 0.8077 0.8341 1.0010 1.0217 1.0589 1.1687 1.3707 1.4006 1.4763 1.5524 3.4394 3.4687 3.7023 3.7372 6.1695 6.1801 6.3350 6.3645 7.2898 7.3288 k = 0.0416 0.5421-0.0000 ( 11642 PWs) bands (ev): -11.5661 -11.5658 -11.5647 -11.5644 -9.7500 -9.7493 -9.7462 -9.7455 -5.0919 -5.0909 -5.0859 -5.0842 -4.8108 -4.8104 -4.8084 -4.8079 -3.5534 -3.5472 -3.5389 -3.5322 -3.1472 -3.1437 -3.1435 -3.1406 -2.9198 -2.9188 -2.9176 -2.9165 -1.6842 -1.6835 -1.6348 -1.6294 -0.5747 -0.5612 -0.4845 -0.4662 -0.1770 -0.1646 -0.0540 -0.0429 0.6689 0.6808 0.8214 0.8412 1.0094 1.0259 1.0798 1.1618 1.3906 1.4130 1.5016 1.5585 3.4313 3.4538 3.7044 3.7316 6.1527 6.1606 6.3204 6.3435 7.2855 7.3162 k = 0.0277 0.5421-0.0000 ( 11640 PWs) bands (ev): -11.5664 -11.5662 -11.5650 -11.5648 -9.7508 -9.7503 -9.7470 -9.7465 -5.0922 -5.0914 -5.0863 -5.0851 -4.8104 -4.8101 -4.8085 -4.8082 -3.5531 -3.5490 -3.5384 -3.5340 -3.1467 -3.1442 -3.1432 -3.1412 -2.9191 -2.9183 -2.9171 -2.9163 -1.6846 -1.6841 -1.6342 -1.6305 -0.5754 -0.5664 -0.4831 -0.4708 -0.1752 -0.1666 -0.0519 -0.0439 0.6726 0.6807 0.8322 0.8454 1.0163 1.0277 1.0989 1.1534 1.4063 1.4212 1.5228 1.5606 3.4264 3.4417 3.7072 3.7258 6.1406 6.1459 6.3107 6.3266 7.2841 7.3051 k = 0.0139 0.5421-0.0000 ( 11656 PWs) bands (ev): -11.5666 -11.5665 -11.5652 -11.5651 -9.7512 -9.7510 -9.7474 -9.7472 -5.0922 -5.0918 -5.0864 -5.0858 -4.8102 -4.8100 -4.8086 -4.8084 -3.5526 -3.5505 -3.5377 -3.5355 -3.1461 -3.1449 -3.1428 -3.1418 -2.9186 -2.9182 -2.9167 -2.9163 -1.6848 -1.6846 -1.6335 -1.6316 -0.5749 -0.5704 -0.4810 -0.4748 -0.1732 -0.1688 -0.0496 -0.0455 0.6756 0.6797 0.8401 0.8467 1.0216 1.0274 1.1160 1.1431 1.4173 1.4248 1.5394 1.5582 3.4250 3.4327 3.7108 3.7203 6.1337 6.1364 6.3064 6.3145 7.2854 7.2960 k = 0.0000 0.5421-0.0000 ( 11656 PWs) bands (ev): -11.5667 -11.5667 -11.5653 -11.5653 -9.7513 -9.7513 -9.7475 -9.7475 -5.0921 -5.0921 -5.0862 -5.0862 -4.8100 -4.8100 -4.8085 -4.8085 -3.5517 -3.5517 -3.5367 -3.5367 -3.1455 -3.1455 -3.1423 -3.1423 -2.9183 -2.9183 -2.9164 -2.9164 -1.6848 -1.6848 -1.6326 -1.6326 -0.5732 -0.5732 -0.4782 -0.4782 -0.1710 -0.1710 -0.0474 -0.0474 0.6780 0.6780 0.8450 0.8450 1.0253 1.0253 1.1307 1.1307 1.4235 1.4235 1.5512 1.5512 3.4271 3.4271 3.7152 3.7152 6.1323 6.1323 6.3077 6.3077 7.2894 7.2894 k = 0.0000 0.5421-0.0000 ( 11656 PWs) bands (ev): -11.5667 -11.5667 -11.5653 -11.5653 -9.7513 -9.7513 -9.7475 -9.7475 -5.0921 -5.0921 -5.0862 -5.0862 -4.8100 -4.8100 -4.8085 -4.8085 -3.5517 -3.5517 -3.5367 -3.5367 -3.1455 -3.1455 -3.1423 -3.1423 -2.9183 -2.9183 -2.9164 -2.9164 -1.6848 -1.6848 -1.6326 -1.6326 -0.5732 -0.5732 -0.4782 -0.4782 -0.1710 -0.1710 -0.0474 -0.0474 0.6780 0.6780 0.8450 0.8450 1.0253 1.0253 1.1307 1.1307 1.4235 1.4235 1.5512 1.5512 3.4271 3.4271 3.7152 3.7152 6.1323 6.1323 6.3077 6.3077 7.2894 7.2894 k = 0.0000 0.5421 0.0136 ( 11646 PWs) bands (ev): -11.5667 -11.5667 -11.5653 -11.5653 -9.7512 -9.7512 -9.7475 -9.7475 -5.0922 -5.0919 -5.0864 -5.0861 -4.8100 -4.8100 -4.8085 -4.8085 -3.5521 -3.5511 -3.5373 -3.5363 -3.1459 -3.1451 -3.1427 -3.1419 -2.9186 -2.9180 -2.9167 -2.9161 -1.6850 -1.6840 -1.6333 -1.6323 -0.5777 -0.5696 -0.4826 -0.4755 -0.1732 -0.1669 -0.0557 -0.0377 0.6736 0.6844 0.8431 0.8459 1.0229 1.0273 1.1243 1.1348 1.4166 1.4314 1.5460 1.5549 3.4266 3.4312 3.7123 3.7161 6.1304 6.1349 6.3046 6.3085 7.2857 7.2934 k = 0.0000 0.5421 0.0271 ( 11648 PWs) bands (ev): -11.5666 -11.5666 -11.5653 -11.5653 -9.7512 -9.7512 -9.7476 -9.7476 -5.0923 -5.0917 -5.0866 -5.0861 -4.8100 -4.8099 -4.8086 -4.8085 -3.5524 -3.5504 -3.5380 -3.5360 -3.1462 -3.1447 -3.1431 -3.1415 -2.9188 -2.9177 -2.9170 -2.9159 -1.6846 -1.6827 -1.6345 -1.6326 -0.5825 -0.5669 -0.4887 -0.4743 -0.1737 -0.1605 -0.0621 -0.0274 0.6714 0.6925 0.8402 0.8459 1.0201 1.0288 1.1161 1.1363 1.4111 1.4400 1.5394 1.5572 3.4299 3.4390 3.7073 3.7148 6.1295 6.1384 6.2992 6.3068 7.2824 7.2976 k = 0.0000 0.5421 0.0407 ( 11648 PWs) bands (ev): -11.5666 -11.5666 -11.5653 -11.5653 -9.7511 -9.7511 -9.7477 -9.7477 -5.0923 -5.0914 -5.0869 -5.0861 -4.8099 -4.8099 -4.8086 -4.8086 -3.5525 -3.5495 -3.5389 -3.5359 -3.1465 -3.1443 -3.1436 -3.1412 -2.9190 -2.9174 -2.9174 -2.9156 -1.6837 -1.6809 -1.6362 -1.6333 -0.5873 -0.5649 -0.4964 -0.4750 -0.1724 -0.1515 -0.0666 -0.0174 0.6716 0.7023 0.8361 0.8452 1.0171 1.0299 1.1063 1.1352 1.4074 1.4490 1.5316 1.5579 3.4368 3.4501 3.7003 3.7114 6.1297 6.1427 6.2915 6.3029 7.2800 7.3019 k = 0.0000 0.5421 0.0543 ( 11638 PWs) bands (ev): -11.5666 -11.5666 -11.5654 -11.5654 -9.7510 -9.7510 -9.7478 -9.7478 -5.0922 -5.0911 -5.0872 -5.0862 -4.8099 -4.8098 -4.8087 -4.8086 -3.5524 -3.5486 -3.5399 -3.5360 -3.1467 -3.1441 -3.1438 -3.1410 -2.9192 -2.9177 -2.9171 -2.9154 -1.6822 -1.6785 -1.6382 -1.6344 -0.5916 -0.5634 -0.5057 -0.4776 -0.1693 -0.1400 -0.0698 -0.0088 0.6742 0.7134 0.8307 0.8436 1.0143 1.0307 1.0953 1.1312 1.4058 1.4581 1.5227 1.5572 3.4470 3.4642 3.6912 3.7057 6.1311 6.1480 6.2818 6.2968 7.2784 7.3062 k = 0.0000 0.5421 0.0678 ( 11640 PWs) bands (ev): -11.5665 -11.5665 -11.5654 -11.5654 -9.7508 -9.7508 -9.7480 -9.7480 -5.0921 -5.0907 -5.0876 -5.0863 -4.8098 -4.8098 -4.8087 -4.8087 -3.5522 -3.5475 -3.5409 -3.5362 -3.1468 -3.1445 -3.1433 -3.1408 -2.9194 -2.9180 -2.9168 -2.9153 -1.6802 -1.6758 -1.6407 -1.6361 -0.5949 -0.5618 -0.5163 -0.4823 -0.1641 -0.1263 -0.0722 -0.0023 0.6794 0.7255 0.8239 0.8411 1.0119 1.0316 1.0836 1.1246 1.4063 1.4674 1.5128 1.5551 3.4603 3.4809 3.6801 3.6978 6.1338 6.1543 6.2703 6.2888 7.2780 7.3106 k = 0.0000 0.5421 0.0814 ( 11624 PWs) bands (ev): -11.5664 -11.5664 -11.5655 -11.5655 -9.7506 -9.7506 -9.7481 -9.7481 -5.0919 -5.0903 -5.0880 -5.0865 -4.8098 -4.8097 -4.8088 -4.8087 -3.5518 -3.5464 -3.5420 -3.5366 -3.1469 -3.1449 -3.1429 -3.1407 -2.9195 -2.9183 -2.9164 -2.9152 -1.6778 -1.6726 -1.6435 -1.6382 -0.5969 -0.5598 -0.5276 -0.4888 -0.1568 -0.1108 -0.0747 0.0014 0.6871 0.7385 0.8156 0.8377 1.0102 1.0330 1.0716 1.1158 1.4090 1.4766 1.5023 1.5517 3.4761 3.4997 3.6670 3.6877 6.1382 6.1618 6.2574 6.2790 7.2789 7.3151 k = 0.0000 0.5421 0.0949 ( 11620 PWs) bands (ev): -11.5663 -11.5663 -11.5656 -11.5656 -9.7504 -9.7504 -9.7484 -9.7484 -5.0916 -5.0899 -5.0884 -5.0867 -4.8097 -4.8096 -4.8089 -4.8088 -3.5513 -3.5453 -3.5432 -3.5372 -3.1470 -3.1453 -3.1424 -3.1406 -2.9196 -2.9186 -2.9162 -2.9151 -1.6749 -1.6692 -1.6466 -1.6407 -0.5972 -0.5569 -0.5393 -0.4969 -0.1478 -0.0941 -0.0780 0.0019 0.6972 0.7518 0.8057 0.8332 1.0096 1.0353 1.0598 1.1053 1.4137 1.4857 1.4913 1.5471 3.4941 3.5200 3.6520 3.6752 6.1443 6.1705 6.2434 6.2678 7.2811 7.3197 k = 0.0000 0.5421 0.1085 ( 11620 PWs) bands (ev): -11.5663 -11.5663 -11.5657 -11.5657 -9.7502 -9.7502 -9.7486 -9.7486 -5.0913 -5.0895 -5.0889 -5.0870 -4.8096 -4.8095 -4.8090 -4.8089 -3.5506 -3.5444 -3.5441 -3.5379 -3.1470 -3.1457 -3.1420 -3.1406 -2.9196 -2.9188 -2.9159 -2.9151 -1.6718 -1.6655 -1.6499 -1.6436 -0.5958 -0.5530 -0.5509 -0.5060 -0.1375 -0.0825 -0.0769 -0.0011 0.7092 0.7652 0.7942 0.8275 1.0103 1.0389 1.0485 1.0937 1.4201 1.4801 1.4948 1.5416 3.5137 3.5413 3.6352 3.6606 6.1522 6.1804 6.2288 6.2555 7.2847 7.3246 k = 0.0000 0.5421 0.1221 ( 11616 PWs) bands (ev): -11.5662 -11.5662 -11.5658 -11.5658 -9.7499 -9.7499 -9.7488 -9.7488 -5.0910 -5.0893 -5.0890 -5.0874 -4.8095 -4.8094 -4.8091 -4.8090 -3.5498 -3.5456 -3.5429 -3.5387 -3.1469 -3.1460 -3.1417 -3.1407 -2.9196 -2.9190 -2.9157 -2.9151 -1.6683 -1.6617 -1.6535 -1.6468 -0.5925 -0.5618 -0.5477 -0.5154 -0.1265 -0.0886 -0.0599 -0.0075 0.7229 0.7783 0.7813 0.8204 1.0125 1.0382 1.0442 1.0819 1.4280 1.4688 1.5036 1.5352 3.5344 3.5630 3.6168 3.6440 6.1618 6.1914 6.2140 6.2425 7.2897 7.3201 k = 0.0000 0.5421 0.1356 ( 11618 PWs) bands (ev): -11.5661 -11.5661 -11.5659 -11.5659 -9.7496 -9.7496 -9.7491 -9.7491 -5.0906 -5.0898 -5.0886 -5.0878 -4.8094 -4.8093 -4.8092 -4.8091 -3.5488 -3.5467 -3.5418 -3.5397 -3.1468 -3.1463 -3.1413 -3.1409 -2.9195 -2.9192 -2.9155 -2.9152 -1.6647 -1.6579 -1.6572 -1.6503 -0.5873 -0.5717 -0.5411 -0.5247 -0.1157 -0.0963 -0.0438 -0.0170 0.7375 0.7673 0.7906 0.8119 1.0164 1.0293 1.0513 1.0705 1.4371 1.4577 1.5121 1.5280 3.5555 3.5847 3.5972 3.6255 6.1731 6.1995 6.2034 6.2293 7.2959 7.3113 k = 0.0000 0.5421 0.1492 ( 11620 PWs) bands (ev): -11.5660 -11.5660 -11.5660 -11.5660 -9.7494 -9.7494 -9.7494 -9.7494 -5.0902 -5.0902 -5.0882 -5.0882 -4.8093 -4.8093 -4.8092 -4.8092 -3.5478 -3.5478 -3.5407 -3.5407 -3.1466 -3.1466 -3.1411 -3.1411 -2.9194 -2.9194 -2.9153 -2.9153 -1.6610 -1.6610 -1.6540 -1.6540 -0.5803 -0.5803 -0.5334 -0.5334 -0.1054 -0.1054 -0.0293 -0.0293 0.7525 0.7525 0.8019 0.8019 1.0220 1.0220 1.0602 1.0602 1.4471 1.4471 1.5203 1.5203 3.5766 3.5766 3.6056 3.6056 6.1857 6.1857 6.2161 6.2161 7.3032 7.3032 k = 0.0000 0.5421 0.1492 ( 11620 PWs) bands (ev): -11.5660 -11.5660 -11.5660 -11.5660 -9.7494 -9.7494 -9.7494 -9.7494 -5.0902 -5.0902 -5.0882 -5.0882 -4.8093 -4.8093 -4.8092 -4.8092 -3.5478 -3.5478 -3.5407 -3.5407 -3.1466 -3.1466 -3.1411 -3.1411 -2.9194 -2.9194 -2.9153 -2.9153 -1.6610 -1.6610 -1.6540 -1.6540 -0.5803 -0.5803 -0.5334 -0.5334 -0.1054 -0.1054 -0.0293 -0.0293 0.7525 0.7525 0.8019 0.8019 1.0220 1.0220 1.0602 1.0602 1.4471 1.4471 1.5203 1.5203 3.5766 3.5766 3.6056 3.6056 6.1857 6.1857 6.2161 6.2161 7.3032 7.3032 k = 0.0139 0.5421 0.1492 ( 11626 PWs) bands (ev): -11.5660 -11.5660 -11.5658 -11.5658 -9.7494 -9.7494 -9.7490 -9.7490 -5.0902 -5.0902 -5.0880 -5.0880 -4.8096 -4.8096 -4.8089 -4.8089 -3.5478 -3.5478 -3.5404 -3.5404 -3.1466 -3.1466 -3.1410 -3.1410 -2.9195 -2.9195 -2.9154 -2.9154 -1.6616 -1.6616 -1.6533 -1.6533 -0.5800 -0.5800 -0.5327 -0.5327 -0.1058 -0.1058 -0.0294 -0.0294 0.7513 0.7513 0.8012 0.8012 1.0208 1.0208 1.0600 1.0600 1.4437 1.4437 1.5185 1.5185 3.5764 3.5764 3.6079 3.6079 6.1879 6.1879 6.2195 6.2195 7.3047 7.3047 k = 0.0277 0.5421 0.1492 ( 11628 PWs) bands (ev): -11.5658 -11.5658 -11.5655 -11.5655 -9.7490 -9.7490 -9.7483 -9.7483 -5.0901 -5.0901 -5.0874 -5.0874 -4.8100 -4.8100 -4.8086 -4.8086 -3.5478 -3.5478 -3.5395 -3.5395 -3.1467 -3.1467 -3.1408 -3.1408 -2.9198 -2.9198 -2.9156 -2.9156 -1.6629 -1.6629 -1.6514 -1.6514 -0.5789 -0.5789 -0.5306 -0.5306 -0.1067 -0.1067 -0.0295 -0.0295 0.7478 0.7478 0.7990 0.7990 1.0173 1.0173 1.0596 1.0596 1.4336 1.4336 1.5129 1.5129 3.5763 3.5763 3.6140 3.6140 6.1946 6.1946 6.2293 6.2293 7.3092 7.3092 k = 0.0416 0.5421 0.1492 ( 11620 PWs) bands (ev): -11.5654 -11.5654 -11.5650 -11.5650 -9.7483 -9.7483 -9.7472 -9.7472 -5.0899 -5.0899 -5.0865 -5.0865 -4.8104 -4.8104 -4.8084 -4.8084 -3.5478 -3.5478 -3.5381 -3.5381 -3.1468 -3.1468 -3.1405 -3.1405 -2.9204 -2.9204 -2.9160 -2.9160 -1.6644 -1.6644 -1.6491 -1.6491 -0.5773 -0.5773 -0.5273 -0.5273 -0.1083 -0.1083 -0.0298 -0.0298 0.7420 0.7420 0.7954 0.7954 1.0116 1.0116 1.0588 1.0588 1.4174 1.4174 1.5035 1.5035 3.5771 3.5771 3.6229 3.6229 6.2056 6.2056 6.2451 6.2451 7.3166 7.3166 k = 0.0555 0.5421 0.1492 ( 11618 PWs) bands (ev): -11.5649 -11.5649 -11.5643 -11.5643 -9.7472 -9.7472 -9.7457 -9.7457 -5.0896 -5.0896 -5.0854 -5.0854 -4.8109 -4.8109 -4.8082 -4.8082 -3.5476 -3.5476 -3.5364 -3.5364 -3.1470 -3.1470 -3.1400 -3.1400 -2.9211 -2.9211 -2.9165 -2.9165 -1.6659 -1.6659 -1.6464 -1.6464 -0.5750 -0.5750 -0.5227 -0.5227 -0.1104 -0.1104 -0.0301 -0.0301 0.7339 0.7339 0.7900 0.7900 1.0040 1.0040 1.0577 1.0577 1.3960 1.3960 1.4906 1.4906 3.5792 3.5792 3.6335 3.6335 6.2209 6.2209 6.2662 6.2662 7.3265 7.3265 k = 0.0694 0.5421 0.1492 ( 11612 PWs) bands (ev): -11.5643 -11.5643 -11.5635 -11.5635 -9.7458 -9.7458 -9.7440 -9.7440 -5.0890 -5.0890 -5.0840 -5.0840 -4.8114 -4.8114 -4.8080 -4.8080 -3.5472 -3.5472 -3.5343 -3.5343 -3.1471 -3.1471 -3.1395 -3.1395 -2.9220 -2.9220 -2.9171 -2.9171 -1.6674 -1.6674 -1.6435 -1.6435 -0.5722 -0.5722 -0.5170 -0.5170 -0.1130 -0.1130 -0.0305 -0.0305 0.7233 0.7233 0.7829 0.7829 0.9948 0.9948 1.0562 1.0562 1.3704 1.3704 1.4744 1.4744 3.5828 3.5828 3.6453 3.6453 6.2398 6.2398 6.2919 6.2919 7.3383 7.3383 k = 0.0832 0.5421 0.1492 ( 11608 PWs) bands (ev): -11.5635 -11.5635 -11.5626 -11.5626 -9.7440 -9.7440 -9.7419 -9.7419 -5.0883 -5.0883 -5.0825 -5.0825 -4.8118 -4.8118 -4.8079 -4.8079 -3.5467 -3.5467 -3.5320 -3.5320 -3.1473 -3.1473 -3.1389 -3.1389 -2.9231 -2.9231 -2.9179 -2.9179 -1.6687 -1.6687 -1.6404 -1.6404 -0.5690 -0.5690 -0.5104 -0.5104 -0.1159 -0.1159 -0.0309 -0.0309 0.7103 0.7103 0.7738 0.7738 0.9842 0.9842 1.0544 1.0544 1.3415 1.3415 1.4554 1.4554 3.5875 3.5875 3.6576 3.6576 6.2619 6.2619 6.3212 6.3212 7.3514 7.3514 k = 0.0971 0.5421 0.1492 ( 11600 PWs) bands (ev): -11.5625 -11.5625 -11.5615 -11.5615 -9.7419 -9.7419 -9.7395 -9.7395 -5.0874 -5.0874 -5.0808 -5.0808 -4.8123 -4.8123 -4.8079 -4.8079 -3.5459 -3.5459 -3.5294 -3.5294 -3.1473 -3.1473 -3.1382 -3.1382 -2.9243 -2.9243 -2.9188 -2.9188 -1.6699 -1.6699 -1.6372 -1.6372 -0.5655 -0.5655 -0.5032 -0.5032 -0.1191 -0.1191 -0.0313 -0.0313 0.6949 0.6949 0.7626 0.7626 0.9723 0.9723 1.0524 1.0524 1.3105 1.3105 1.4344 1.4344 3.5932 3.5932 3.6698 3.6698 6.2864 6.2864 6.3533 6.3533 7.3648 7.3648 k = 0.1110 0.5421 0.1492 ( 11600 PWs) bands (ev): -11.5614 -11.5614 -11.5603 -11.5603 -9.7395 -9.7395 -9.7368 -9.7368 -5.0864 -5.0864 -5.0789 -5.0789 -4.8129 -4.8129 -4.8078 -4.8078 -3.5450 -3.5450 -3.5267 -3.5267 -3.1474 -3.1474 -3.1375 -3.1375 -2.9257 -2.9257 -2.9198 -2.9198 -1.6710 -1.6710 -1.6339 -1.6339 -0.5618 -0.5618 -0.4955 -0.4955 -0.1222 -0.1222 -0.0314 -0.0314 0.6768 0.6768 0.7489 0.7489 0.9594 0.9594 1.0501 1.0501 1.2786 1.2786 1.4122 1.4122 3.5994 3.5994 3.6816 3.6816 6.3126 6.3126 6.3875 6.3875 7.3775 7.3775 k = 0.1249 0.5421 0.1492 ( 11606 PWs) bands (ev): -11.5602 -11.5602 -11.5589 -11.5589 -9.7369 -9.7369 -9.7339 -9.7339 -5.0852 -5.0852 -5.0769 -5.0769 -4.8134 -4.8134 -4.8079 -4.8079 -3.5440 -3.5440 -3.5239 -3.5239 -3.1473 -3.1473 -3.1367 -3.1367 -2.9271 -2.9271 -2.9209 -2.9209 -1.6721 -1.6721 -1.6305 -1.6305 -0.5582 -0.5582 -0.4877 -0.4877 -0.1251 -0.1251 -0.0313 -0.0313 0.6560 0.6560 0.7326 0.7326 0.9457 0.9457 1.0476 1.0476 1.2471 1.2471 1.3896 1.3896 3.6057 3.6057 3.6925 3.6925 6.3396 6.3396 6.4230 6.4230 7.3884 7.3884 k = 0.1387 0.5421 0.1492 ( 11614 PWs) bands (ev): -11.5589 -11.5589 -11.5575 -11.5575 -9.7340 -9.7340 -9.7307 -9.7307 -5.0838 -5.0838 -5.0748 -5.0748 -4.8139 -4.8139 -4.8079 -4.8079 -3.5428 -3.5428 -3.5210 -3.5210 -3.1472 -3.1472 -3.1359 -3.1359 -2.9287 -2.9287 -2.9221 -2.9221 -1.6730 -1.6730 -1.6271 -1.6271 -0.5549 -0.5549 -0.4802 -0.4802 -0.1273 -0.1273 -0.0307 -0.0307 0.6326 0.6326 0.7133 0.7133 0.9316 0.9316 1.0445 1.0445 1.2172 1.2172 1.3675 1.3675 3.6117 3.6117 3.7021 3.7021 6.3669 6.3669 6.4591 6.4591 7.3968 7.3968 k = 0.1526 0.5421 0.1492 ( 11624 PWs) bands (ev): -11.5575 -11.5575 -11.5560 -11.5560 -9.7309 -9.7309 -9.7273 -9.7273 -5.0824 -5.0824 -5.0725 -5.0725 -4.8144 -4.8144 -4.8080 -4.8080 -3.5416 -3.5416 -3.5180 -3.5180 -3.1470 -3.1470 -3.1350 -3.1350 -2.9303 -2.9303 -2.9233 -2.9233 -1.6739 -1.6739 -1.6236 -1.6236 -0.5521 -0.5521 -0.4733 -0.4733 -0.1285 -0.1285 -0.0294 -0.0294 0.6063 0.6063 0.6907 0.6907 0.9175 0.9175 1.0406 1.0406 1.1903 1.1903 1.3466 1.3466 3.6171 3.6171 3.7101 3.7101 6.3937 6.3937 6.4951 6.4951 7.4019 7.4019 k = 0.1665 0.5421 0.1492 ( 11614 PWs) bands (ev): -11.5560 -11.5560 -11.5544 -11.5544 -9.7276 -9.7276 -9.7238 -9.7238 -5.0808 -5.0808 -5.0702 -5.0702 -4.8150 -4.8150 -4.8082 -4.8082 -3.5402 -3.5402 -3.5151 -3.5151 -3.1467 -3.1467 -3.1340 -3.1340 -2.9319 -2.9319 -2.9245 -2.9245 -1.6748 -1.6748 -1.6202 -1.6202 -0.5500 -0.5500 -0.4675 -0.4675 -0.1282 -0.1282 -0.0272 -0.0272 0.5775 0.5775 0.6646 0.6646 0.9040 0.9040 1.0353 1.0353 1.1675 1.1675 1.3274 1.3274 3.6214 3.6214 3.7162 3.7162 6.4196 6.4196 6.5306 6.5306 7.4033 7.4033 k = 0.1803 0.5421 0.1492 ( 11618 PWs) bands (ev): -11.5544 -11.5544 -11.5528 -11.5528 -9.7241 -9.7241 -9.7201 -9.7201 -5.0791 -5.0791 -5.0679 -5.0679 -4.8155 -4.8155 -4.8084 -4.8084 -3.5389 -3.5389 -3.5123 -3.5123 -3.1463 -3.1463 -3.1330 -3.1330 -2.9336 -2.9336 -2.9258 -2.9258 -1.6756 -1.6756 -1.6169 -1.6169 -0.5489 -0.5489 -0.4632 -0.4632 -0.1260 -0.1260 -0.0238 -0.0238 0.5462 0.5462 0.6350 0.6350 0.8913 0.8913 1.0282 1.0282 1.1498 1.1498 1.3105 1.3105 3.6245 3.6245 3.7203 3.7203 6.4442 6.4442 6.5651 6.5651 7.4007 7.4007 k = 0.1942 0.5421 0.1492 ( 11616 PWs) bands (ev): -11.5528 -11.5528 -11.5511 -11.5511 -9.7205 -9.7205 -9.7163 -9.7163 -5.0773 -5.0773 -5.0655 -5.0655 -4.8160 -4.8160 -4.8086 -4.8086 -3.5376 -3.5376 -3.5095 -3.5095 -3.1458 -3.1458 -3.1320 -3.1320 -2.9352 -2.9352 -2.9270 -2.9270 -1.6764 -1.6764 -1.6136 -1.6136 -0.5490 -0.5490 -0.4606 -0.4606 -0.1215 -0.1215 -0.0191 -0.0191 0.5128 0.5128 0.6021 0.6021 0.8801 0.8801 1.0192 1.0192 1.1374 1.1374 1.2961 1.2961 3.6261 3.6261 3.7223 3.7223 6.4671 6.4671 6.5985 6.5985 7.3943 7.3943 k = 0.2081 0.5421 0.1492 ( 11602 PWs) bands (ev): -11.5511 -11.5511 -11.5493 -11.5493 -9.7169 -9.7169 -9.7125 -9.7125 -5.0755 -5.0755 -5.0631 -5.0631 -4.8164 -4.8164 -4.8088 -4.8088 -3.5363 -3.5363 -3.5070 -3.5070 -3.1452 -3.1452 -3.1309 -3.1309 -2.9368 -2.9368 -2.9281 -2.9281 -1.6772 -1.6772 -1.6105 -1.6105 -0.5503 -0.5503 -0.4601 -0.4601 -0.1145 -0.1145 -0.0129 -0.0129 0.4776 0.4776 0.5666 0.5666 0.8703 0.8703 1.0087 1.0087 1.1300 1.1300 1.2843 1.2843 3.6260 3.6260 3.7221 3.7221 6.4883 6.4883 6.6303 6.6303 7.3844 7.3844 k = 0.2220 0.5421 0.1492 ( 11600 PWs) bands (ev): -11.5494 -11.5494 -11.5476 -11.5476 -9.7131 -9.7131 -9.7087 -9.7087 -5.0736 -5.0736 -5.0607 -5.0607 -4.8169 -4.8169 -4.8091 -4.8091 -3.5351 -3.5351 -3.5046 -3.5046 -3.1445 -3.1445 -3.1298 -3.1298 -2.9383 -2.9383 -2.9292 -2.9292 -1.6781 -1.6781 -1.6077 -1.6077 -0.5530 -0.5530 -0.4616 -0.4616 -0.1048 -0.1048 -0.0050 -0.0050 0.4414 0.4414 0.5292 0.5292 0.8622 0.8622 0.9975 0.9975 1.1264 1.1264 1.2750 1.2750 3.6243 3.6243 3.7198 3.7198 6.5075 6.5075 6.6606 6.6606 7.3713 7.3713 k = 0.2358 0.5421 0.1492 ( 11598 PWs) bands (ev): -11.5478 -11.5478 -11.5459 -11.5459 -9.7094 -9.7094 -9.7048 -9.7048 -5.0718 -5.0718 -5.0583 -5.0583 -4.8173 -4.8173 -4.8094 -4.8094 -3.5339 -3.5339 -3.5024 -3.5024 -3.1437 -3.1437 -3.1287 -3.1287 -2.9398 -2.9398 -2.9302 -2.9302 -1.6789 -1.6789 -1.6051 -1.6051 -0.5571 -0.5571 -0.4652 -0.4652 -0.0926 -0.0926 0.0045 0.0045 0.4046 0.4046 0.4908 0.4908 0.8555 0.8555 0.9862 0.9862 1.1259 1.1259 1.2683 1.2683 3.6210 3.6210 3.7154 3.7154 6.5247 6.5247 6.6892 6.6892 7.3557 7.3557 k = 0.2497 0.5421 0.1492 ( 11600 PWs) bands (ev): -11.5461 -11.5461 -11.5442 -11.5442 -9.7057 -9.7057 -9.7011 -9.7011 -5.0699 -5.0699 -5.0561 -5.0561 -4.8177 -4.8177 -4.8097 -4.8097 -3.5329 -3.5329 -3.5005 -3.5005 -3.1429 -3.1429 -3.1276 -3.1276 -2.9412 -2.9412 -2.9311 -2.9311 -1.6798 -1.6798 -1.6028 -1.6028 -0.5625 -0.5625 -0.4705 -0.4705 -0.0781 -0.0781 0.0156 0.0156 0.3680 0.3680 0.4522 0.4522 0.8501 0.8501 0.9752 0.9752 1.1275 1.1275 1.2638 1.2638 3.6161 3.6161 3.7092 3.7092 6.5398 6.5398 6.7160 6.7160 7.3383 7.3383 k = 0.2636 0.5421 0.1492 ( 11592 PWs) bands (ev): -11.5445 -11.5445 -11.5426 -11.5426 -9.7021 -9.7021 -9.6974 -9.6974 -5.0680 -5.0680 -5.0539 -5.0539 -4.8181 -4.8181 -4.8100 -4.8100 -3.5319 -3.5319 -3.4989 -3.4989 -3.1420 -3.1420 -3.1265 -3.1265 -2.9424 -2.9424 -2.9319 -2.9319 -1.6807 -1.6807 -1.6010 -1.6010 -0.5691 -0.5691 -0.4774 -0.4774 -0.0617 -0.0617 0.0280 0.0280 0.3324 0.3324 0.4146 0.4146 0.8459 0.8459 0.9648 0.9648 1.1307 1.1307 1.2616 1.2616 3.6098 3.6098 3.7012 3.7012 6.5529 6.5529 6.7409 6.7409 7.3196 7.3196 k = 0.2774 0.5421 0.1492 ( 11592 PWs) bands (ev): -11.5429 -11.5429 -11.5410 -11.5410 -9.6987 -9.6987 -9.6939 -9.6939 -5.0662 -5.0662 -5.0518 -5.0518 -4.8185 -4.8185 -4.8103 -4.8103 -3.5311 -3.5311 -3.4976 -3.4976 -3.1411 -3.1411 -3.1255 -3.1255 -2.9436 -2.9436 -2.9326 -2.9326 -1.6816 -1.6816 -1.5995 -1.5995 -0.5767 -0.5767 -0.4855 -0.4855 -0.0440 -0.0440 0.0413 0.0413 0.2989 0.2989 0.3787 0.3787 0.8425 0.8425 0.9550 0.9550 1.1352 1.1352 1.2613 1.2613 3.6022 3.6022 3.6919 3.6919 6.5639 6.5639 6.7638 6.7638 7.3005 7.3005 k = 0.2913 0.5421 0.1492 ( 11590 PWs) bands (ev): -11.5414 -11.5414 -11.5395 -11.5395 -9.6953 -9.6953 -9.6906 -9.6906 -5.0645 -5.0645 -5.0499 -5.0499 -4.8188 -4.8188 -4.8106 -4.8106 -3.5304 -3.5304 -3.4965 -3.4965 -3.1401 -3.1401 -3.1245 -3.1245 -2.9446 -2.9446 -2.9331 -2.9331 -1.6825 -1.6825 -1.5986 -1.5986 -0.5851 -0.5851 -0.4946 -0.4946 -0.0254 -0.0254 0.0547 0.0547 0.2686 0.2686 0.3455 0.3455 0.8400 0.8400 0.9457 0.9457 1.1406 1.1406 1.2629 1.2629 3.5937 3.5937 3.6815 3.6815 6.5729 6.5729 6.7846 6.7846 7.2814 7.2814 k = 0.3052 0.5421 0.1492 ( 11584 PWs) bands (ev): -11.5400 -11.5400 -11.5381 -11.5381 -9.6922 -9.6922 -9.6875 -9.6875 -5.0628 -5.0628 -5.0481 -5.0481 -4.8191 -4.8191 -4.8110 -4.8110 -3.5297 -3.5297 -3.4958 -3.4958 -3.1391 -3.1391 -3.1235 -3.1235 -2.9455 -2.9455 -2.9335 -2.9335 -1.6834 -1.6834 -1.5982 -1.5982 -0.5941 -0.5941 -0.5044 -0.5044 -0.0070 -0.0070 0.0668 0.0668 0.2431 0.2431 0.3161 0.3161 0.8380 0.8380 0.9369 0.9369 1.1468 1.1468 1.2660 1.2660 3.5844 3.5844 3.6703 3.6703 6.5799 6.5799 6.8032 6.8032 7.2629 7.2629 k = 0.3191 0.5421 0.1492 ( 11570 PWs) bands (ev): -11.5387 -11.5387 -11.5369 -11.5369 -9.6894 -9.6894 -9.6847 -9.6847 -5.0612 -5.0612 -5.0465 -5.0465 -4.8194 -4.8194 -4.8113 -4.8113 -3.5292 -3.5292 -3.4954 -3.4954 -3.1381 -3.1381 -3.1227 -3.1227 -2.9462 -2.9462 -2.9339 -2.9339 -1.6844 -1.6844 -1.5983 -1.5983 -0.6033 -0.6033 -0.5148 -0.5148 0.0102 0.0102 0.0760 0.0760 0.2248 0.2248 0.2915 0.2915 0.8364 0.8364 0.9285 0.9285 1.1535 1.1535 1.2705 1.2705 3.5747 3.5747 3.6586 3.6586 6.5850 6.5850 6.8195 6.8195 7.2456 7.2456 k = 0.3329 0.5421 0.1492 ( 11552 PWs) bands (ev): -11.5376 -11.5376 -11.5357 -11.5357 -9.6868 -9.6868 -9.6822 -9.6822 -5.0597 -5.0597 -5.0451 -5.0451 -4.8196 -4.8196 -4.8116 -4.8116 -3.5288 -3.5288 -3.4953 -3.4953 -3.1371 -3.1371 -3.1219 -3.1219 -2.9469 -2.9469 -2.9341 -2.9341 -1.6854 -1.6854 -1.5990 -1.5990 -0.6127 -0.6127 -0.5254 -0.5254 0.0243 0.0243 0.0806 0.0806 0.2157 0.2157 0.2734 0.2734 0.8352 0.8352 0.9204 0.9204 1.1608 1.1608 1.2762 1.2762 3.5648 3.5648 3.6469 3.6469 6.5883 6.5883 6.8331 6.8331 7.2301 7.2301 k = 0.3468 0.5421 0.1492 ( 11556 PWs) bands (ev): -11.5366 -11.5366 -11.5347 -11.5347 -9.6846 -9.6846 -9.6801 -9.6801 -5.0583 -5.0583 -5.0439 -5.0439 -4.8198 -4.8198 -4.8119 -4.8119 -3.5285 -3.5285 -3.4954 -3.4954 -3.1361 -3.1361 -3.1212 -3.1212 -2.9474 -2.9474 -2.9343 -2.9343 -1.6864 -1.6864 -1.6003 -1.6003 -0.6220 -0.6220 -0.5361 -0.5361 0.0327 0.0327 0.0816 0.0816 0.2157 0.2157 0.2637 0.2637 0.8343 0.8343 0.9126 0.9126 1.1684 1.1684 1.2829 1.2829 3.5549 3.5549 3.6353 3.6353 6.5899 6.5899 6.8440 6.8440 7.2169 7.2169 k = 0.3607 0.5421 0.1492 ( 11570 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6827 -9.6827 -9.6783 -9.6783 -5.0571 -5.0571 -5.0429 -5.0429 -4.8200 -4.8200 -4.8122 -4.8122 -3.5282 -3.5282 -3.4957 -3.4957 -3.1351 -3.1351 -3.1206 -3.1206 -2.9479 -2.9479 -2.9344 -2.9344 -1.6875 -1.6875 -1.6021 -1.6021 -0.6309 -0.6309 -0.5468 -0.5468 0.0333 0.0333 0.0821 0.0821 0.2218 0.2218 0.2644 0.2644 0.8337 0.8337 0.9053 0.9053 1.1763 1.1763 1.2905 1.2905 3.5455 3.5455 3.6243 3.6243 6.5899 6.5899 6.8518 6.8518 7.2065 7.2065 k = 0.3607 0.5421 0.1492 ( 11570 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6827 -9.6827 -9.6783 -9.6783 -5.0571 -5.0571 -5.0429 -5.0429 -4.8200 -4.8200 -4.8122 -4.8122 -3.5282 -3.5282 -3.4957 -3.4957 -3.1351 -3.1351 -3.1206 -3.1206 -2.9479 -2.9479 -2.9344 -2.9344 -1.6875 -1.6875 -1.6021 -1.6021 -0.6309 -0.6309 -0.5468 -0.5468 0.0333 0.0333 0.0821 0.0821 0.2218 0.2218 0.2644 0.2644 0.8337 0.8337 0.9053 0.9053 1.1763 1.1763 1.2905 1.2905 3.5455 3.5455 3.6243 3.6243 6.5899 6.5899 6.8518 6.8518 7.2065 7.2065 k = 0.3530 0.5305 0.1492 ( 11554 PWs) bands (ev): -11.5372 -11.5372 -11.5353 -11.5353 -9.6859 -9.6859 -9.6812 -9.6812 -5.0592 -5.0592 -5.0446 -5.0446 -4.8197 -4.8197 -4.8117 -4.8117 -3.5286 -3.5286 -3.4950 -3.4950 -3.1368 -3.1368 -3.1216 -3.1216 -2.9471 -2.9471 -2.9342 -2.9342 -1.6856 -1.6856 -1.5986 -1.5986 -0.6148 -0.6148 -0.5277 -0.5277 0.0398 0.0398 0.0812 0.0812 0.2071 0.2071 0.2552 0.2552 0.8352 0.8352 0.9186 0.9186 1.1616 1.1616 1.2760 1.2760 3.5621 3.5621 3.6435 3.6435 6.5903 6.5903 6.8374 6.8374 7.2252 7.2252 k = 0.3453 0.5190 0.1492 ( 11562 PWs) bands (ev): -11.5387 -11.5387 -11.5368 -11.5368 -9.6892 -9.6892 -9.6844 -9.6844 -5.0614 -5.0614 -5.0464 -5.0464 -4.8194 -4.8194 -4.8112 -4.8112 -3.5291 -3.5291 -3.4945 -3.4945 -3.1386 -3.1386 -3.1227 -3.1227 -2.9462 -2.9462 -2.9342 -2.9342 -1.6839 -1.6839 -1.5958 -1.5958 -0.5981 -0.5981 -0.5083 -0.5083 0.0474 0.0474 0.0820 0.0820 0.1929 0.1929 0.2492 0.2492 0.8380 0.8380 0.9327 0.9327 1.1464 1.1464 1.2612 1.2612 3.5788 3.5788 3.6624 3.6624 6.5891 6.5891 6.8185 6.8185 7.2475 7.2475 k = 0.3377 0.5075 0.1492 ( 11566 PWs) bands (ev): -11.5404 -11.5404 -11.5384 -11.5384 -9.6928 -9.6928 -9.6879 -9.6879 -5.0636 -5.0636 -5.0482 -5.0482 -4.8191 -4.8191 -4.8108 -4.8108 -3.5296 -3.5296 -3.4940 -3.4940 -3.1404 -3.1404 -3.1238 -3.1238 -2.9453 -2.9453 -2.9342 -2.9342 -1.6824 -1.6824 -1.5937 -1.5937 -0.5809 -0.5809 -0.4888 -0.4888 0.0559 0.0559 0.0848 0.0848 0.1806 0.1806 0.2457 0.2457 0.8418 0.8418 0.9473 0.9473 1.1308 1.1308 1.2464 1.2464 3.5954 3.5954 3.6812 3.6812 6.5868 6.5868 6.7976 6.7976 7.2712 7.2712 k = 0.3300 0.4959 0.1492 ( 11570 PWs) bands (ev): -11.5422 -11.5422 -11.5401 -11.5401 -9.6967 -9.6967 -9.6917 -9.6917 -5.0658 -5.0658 -5.0502 -5.0502 -4.8189 -4.8189 -4.8104 -4.8104 -3.5302 -3.5302 -3.4938 -3.4938 -3.1422 -3.1422 -3.1250 -3.1250 -2.9443 -2.9443 -2.9343 -2.9343 -1.6812 -1.6812 -1.5922 -1.5922 -0.5632 -0.5632 -0.4691 -0.4691 0.0645 0.0645 0.0899 0.0899 0.1712 0.1712 0.2445 0.2445 0.8466 0.8466 0.9623 0.9623 1.1152 1.1152 1.2318 1.2318 3.6118 3.6118 3.6997 3.6997 6.5837 6.5837 6.7762 6.7762 7.2948 7.2948 k = 0.3223 0.4844 0.1492 ( 11586 PWs) bands (ev): -11.5441 -11.5441 -11.5420 -11.5420 -9.7009 -9.7009 -9.6957 -9.6957 -5.0681 -5.0681 -5.0522 -5.0522 -4.8188 -4.8188 -4.8101 -4.8101 -3.5308 -3.5308 -3.4936 -3.4936 -3.1440 -3.1440 -3.1262 -3.1262 -2.9433 -2.9433 -2.9345 -2.9345 -1.6804 -1.6804 -1.5914 -1.5914 -0.5451 -0.5451 -0.4493 -0.4493 0.0720 0.0720 0.0975 0.0975 0.1662 0.1662 0.2456 0.2456 0.8519 0.8519 0.9773 0.9773 1.0998 1.0998 1.2180 1.2180 3.6279 3.6279 3.7179 3.7179 6.5801 6.5801 6.7553 6.7553 7.3176 7.3176 k = 0.3146 0.4729 0.1492 ( 11594 PWs) bands (ev): -11.5461 -11.5461 -11.5440 -11.5440 -9.7053 -9.7053 -9.7000 -9.7000 -5.0704 -5.0704 -5.0543 -5.0543 -4.8187 -4.8187 -4.8098 -4.8098 -3.5315 -3.5315 -3.4936 -3.4936 -3.1459 -3.1459 -3.1275 -3.1275 -2.9422 -2.9422 -2.9347 -2.9347 -1.6798 -1.6798 -1.5913 -1.5913 -0.5267 -0.5267 -0.4296 -0.4296 0.0778 0.0778 0.1074 0.1074 0.1669 0.1669 0.2492 0.2492 0.8574 0.8574 0.9919 0.9919 1.0850 1.0850 1.2054 1.2054 3.6438 3.6438 3.7357 3.7357 6.5763 6.5763 6.7356 6.7356 7.3392 7.3392 k = 0.3070 0.4613 0.1492 ( 11598 PWs) bands (ev): -11.5482 -11.5482 -11.5461 -11.5461 -9.7100 -9.7100 -9.7046 -9.7046 -5.0727 -5.0727 -5.0564 -5.0564 -4.8187 -4.8187 -4.8097 -4.8097 -3.5322 -3.5322 -3.4938 -3.4938 -3.1478 -3.1478 -3.1288 -3.1288 -2.9411 -2.9411 -2.9349 -2.9349 -1.6797 -1.6797 -1.5919 -1.5919 -0.5083 -0.5083 -0.4100 -0.4100 0.0819 0.0819 0.1187 0.1187 0.1743 0.1743 0.2554 0.2554 0.8628 0.8628 1.0055 1.0055 1.0714 1.0714 1.1945 1.1945 3.6593 3.6593 3.7530 3.7530 6.5723 6.5723 6.7176 6.7176 7.3594 7.3594 k = 0.2993 0.4498 0.1492 ( 11602 PWs) bands (ev): -11.5505 -11.5505 -11.5483 -11.5483 -9.7150 -9.7150 -9.7095 -9.7095 -5.0751 -5.0751 -5.0587 -5.0587 -4.8188 -4.8188 -4.8096 -4.8096 -3.5329 -3.5329 -3.4941 -3.4941 -3.1497 -3.1497 -3.1302 -3.1302 -2.9399 -2.9399 -2.9352 -2.9352 -1.6799 -1.6799 -1.5930 -1.5930 -0.4899 -0.4899 -0.3905 -0.3905 0.0849 0.0849 0.1311 0.1311 0.1879 0.1879 0.2647 0.2647 0.8676 0.8676 1.0166 1.0166 1.0606 1.0606 1.1859 1.1859 3.6743 3.6743 3.7697 3.7697 6.5682 6.5682 6.7016 6.7016 7.3781 7.3781 k = 0.2916 0.4383 0.1492 ( 11608 PWs) bands (ev): -11.5529 -11.5529 -11.5506 -11.5506 -9.7202 -9.7202 -9.7147 -9.7147 -5.0774 -5.0774 -5.0609 -5.0609 -4.8189 -4.8189 -4.8095 -4.8095 -3.5337 -3.5337 -3.4946 -3.4946 -3.1515 -3.1515 -3.1317 -3.1317 -2.9388 -2.9388 -2.9354 -2.9354 -1.6805 -1.6805 -1.5946 -1.5946 -0.4717 -0.4717 -0.3714 -0.3714 0.0879 0.0879 0.1446 0.1446 0.2066 0.2066 0.2772 0.2772 0.8714 0.8714 1.0215 1.0215 1.0561 1.0561 1.1804 1.1804 3.6889 3.6889 3.7859 3.7859 6.5641 6.5641 6.6880 6.6880 7.3954 7.3954 k = 0.2839 0.4267 0.1492 ( 11626 PWs) bands (ev): -11.5554 -11.5554 -11.5531 -11.5531 -9.7257 -9.7257 -9.7201 -9.7201 -5.0798 -5.0798 -5.0633 -5.0633 -4.8192 -4.8192 -4.8096 -4.8096 -3.5346 -3.5346 -3.4952 -3.4952 -3.1534 -3.1534 -3.1332 -3.1332 -2.9379 -2.9379 -2.9355 -2.9355 -1.6815 -1.6815 -1.5967 -1.5967 -0.4537 -0.4537 -0.3525 -0.3525 0.0918 0.0918 0.1592 0.1592 0.2290 0.2290 0.2933 0.2933 0.8738 0.8738 1.0181 1.0181 1.0598 1.0598 1.1787 1.1787 3.7028 3.7028 3.8014 3.8014 6.5598 6.5598 6.6770 6.6770 7.4111 7.4111 k = 0.2763 0.4152 0.1492 ( 11634 PWs) bands (ev): -11.5580 -11.5580 -11.5557 -11.5557 -9.7314 -9.7314 -9.7258 -9.7258 -5.0822 -5.0822 -5.0656 -5.0656 -4.8195 -4.8195 -4.8097 -4.8097 -3.5354 -3.5354 -3.4960 -3.4960 -3.1553 -3.1553 -3.1348 -3.1348 -2.9374 -2.9374 -2.9352 -2.9352 -1.6829 -1.6829 -1.5992 -1.5992 -0.4361 -0.4361 -0.3341 -0.3341 0.0974 0.0974 0.1751 0.1751 0.2543 0.2543 0.3132 0.3132 0.8745 0.8745 1.0112 1.0112 1.0672 1.0672 1.1810 1.1810 3.7160 3.7160 3.8162 3.8162 6.5554 6.5554 6.6686 6.6686 7.4250 7.4250 k = 0.2686 0.4037 0.1492 ( 11630 PWs) bands (ev): -11.5607 -11.5607 -11.5583 -11.5583 -9.7374 -9.7374 -9.7318 -9.7318 -5.0845 -5.0845 -5.0680 -5.0680 -4.8199 -4.8199 -4.8099 -4.8099 -3.5364 -3.5364 -3.4969 -3.4969 -3.1572 -3.1572 -3.1364 -3.1364 -2.9374 -2.9374 -2.9344 -2.9344 -1.6846 -1.6846 -1.6020 -1.6020 -0.4190 -0.4190 -0.3162 -0.3162 0.1051 0.1051 0.1920 0.1920 0.2819 0.2819 0.3367 0.3367 0.8735 0.8735 1.0041 1.0041 1.0751 1.0751 1.1873 1.1873 3.7286 3.7286 3.8301 3.8301 6.5509 6.5509 6.6629 6.6629 7.4368 7.4368 k = 0.2609 0.3921 0.1492 ( 11638 PWs) bands (ev): -11.5635 -11.5635 -11.5612 -11.5612 -9.7436 -9.7436 -9.7380 -9.7380 -5.0869 -5.0869 -5.0704 -5.0704 -4.8204 -4.8204 -4.8102 -4.8102 -3.5373 -3.5373 -3.4980 -3.4980 -3.1590 -3.1590 -3.1381 -3.1381 -2.9376 -2.9376 -2.9334 -2.9334 -1.6867 -1.6867 -1.6052 -1.6052 -0.4023 -0.4023 -0.2987 -0.2987 0.1151 0.1151 0.2101 0.2101 0.3116 0.3116 0.3636 0.3636 0.8711 0.8711 0.9981 0.9981 1.0831 1.0831 1.1971 1.1971 3.7403 3.7403 3.8432 3.8432 6.5466 6.5466 6.6598 6.6598 7.4462 7.4462 k = 0.2532 0.3806 0.1492 ( 11622 PWs) bands (ev): -11.5664 -11.5664 -11.5641 -11.5641 -9.7501 -9.7501 -9.7444 -9.7444 -5.0892 -5.0892 -5.0729 -5.0729 -4.8210 -4.8210 -4.8106 -4.8106 -3.5383 -3.5383 -3.4992 -3.4992 -3.1609 -3.1609 -3.1399 -3.1399 -2.9379 -2.9379 -2.9323 -2.9323 -1.6890 -1.6890 -1.6086 -1.6086 -0.3862 -0.3862 -0.2817 -0.2817 0.1275 0.1275 0.2293 0.2293 0.3432 0.3432 0.3936 0.3936 0.8677 0.8677 0.9934 0.9934 1.0912 1.0912 1.2095 1.2095 3.7512 3.7512 3.8554 3.8554 6.5426 6.5426 6.6591 6.6591 7.4530 7.4530 k = 0.2456 0.3691 0.1492 ( 11622 PWs) bands (ev): -11.5694 -11.5694 -11.5671 -11.5671 -9.7567 -9.7567 -9.7511 -9.7511 -5.0915 -5.0915 -5.0753 -5.0753 -4.8216 -4.8216 -4.8111 -4.8111 -3.5393 -3.5393 -3.5005 -3.5005 -3.1627 -3.1627 -3.1417 -3.1417 -2.9382 -2.9382 -2.9313 -2.9313 -1.6917 -1.6917 -1.6122 -1.6122 -0.3704 -0.3704 -0.2653 -0.2653 0.1423 0.1423 0.2497 0.2497 0.3765 0.3765 0.4261 0.4261 0.8640 0.8640 0.9902 0.9902 1.0997 1.0997 1.2239 1.2239 3.7611 3.7611 3.8664 3.8664 6.5391 6.5391 6.6605 6.6605 7.4572 7.4572 k = 0.2379 0.3575 0.1492 ( 11622 PWs) bands (ev): -11.5725 -11.5725 -11.5702 -11.5702 -9.7636 -9.7636 -9.7579 -9.7579 -5.0938 -5.0938 -5.0778 -5.0778 -4.8223 -4.8223 -4.8117 -4.8117 -3.5403 -3.5403 -3.5020 -3.5020 -3.1644 -3.1644 -3.1436 -3.1436 -2.9386 -2.9386 -2.9304 -2.9304 -1.6945 -1.6945 -1.6161 -1.6161 -0.3551 -0.3551 -0.2495 -0.2495 0.1595 0.1595 0.2713 0.2713 0.4113 0.4113 0.4607 0.4607 0.8605 0.8605 0.9887 0.9887 1.1090 1.1090 1.2396 1.2396 3.7700 3.7700 3.8764 3.8764 6.5364 6.5364 6.6639 6.6639 7.4592 7.4592 k = 0.2302 0.3460 0.1492 ( 11600 PWs) bands (ev): -11.5757 -11.5757 -11.5733 -11.5733 -9.7706 -9.7706 -9.7650 -9.7650 -5.0960 -5.0960 -5.0802 -5.0802 -4.8231 -4.8231 -4.8124 -4.8124 -3.5414 -3.5414 -3.5035 -3.5035 -3.1661 -3.1661 -3.1455 -3.1455 -2.9389 -2.9389 -2.9296 -2.9296 -1.6976 -1.6976 -1.6201 -1.6201 -0.3401 -0.3401 -0.2342 -0.2342 0.1790 0.1790 0.2942 0.2942 0.4474 0.4474 0.4969 0.4969 0.8579 0.8579 0.9890 0.9890 1.1188 1.1188 1.2561 1.2561 3.7778 3.7778 3.8852 3.8852 6.5347 6.5347 6.6689 6.6689 7.4592 7.4592 k = 0.2225 0.3345 0.1492 ( 11604 PWs) bands (ev): -11.5789 -11.5789 -11.5766 -11.5766 -9.7777 -9.7777 -9.7722 -9.7722 -5.0982 -5.0982 -5.0826 -5.0826 -4.8239 -4.8239 -4.8131 -4.8131 -3.5424 -3.5424 -3.5052 -3.5052 -3.1678 -3.1678 -3.1474 -3.1474 -2.9392 -2.9392 -2.9288 -2.9288 -1.7007 -1.7007 -1.6243 -1.6243 -0.3253 -0.3253 -0.2194 -0.2194 0.2006 0.2006 0.3183 0.3183 0.4842 0.4842 0.5342 0.5342 0.8568 0.8568 0.9913 0.9913 1.1293 1.1293 1.2734 1.2734 3.7845 3.7845 3.8928 3.8928 6.5341 6.5341 6.6753 6.6753 7.4571 7.4571 k = 0.2149 0.3229 0.1492 ( 11604 PWs) bands (ev): -11.5822 -11.5822 -11.5799 -11.5799 -9.7850 -9.7850 -9.7795 -9.7795 -5.1004 -5.1004 -5.0850 -5.0850 -4.8248 -4.8248 -4.8140 -4.8140 -3.5435 -3.5435 -3.5070 -3.5070 -3.1694 -3.1694 -3.1493 -3.1493 -2.9396 -2.9396 -2.9282 -2.9282 -1.7040 -1.7040 -1.6287 -1.6287 -0.3108 -0.3108 -0.2051 -0.2051 0.2243 0.2243 0.3437 0.3437 0.5212 0.5212 0.5724 0.5724 0.8577 0.8577 0.9957 0.9957 1.1404 1.1404 1.2911 1.2911 3.7900 3.7900 3.8990 3.8990 6.5347 6.5347 6.6831 6.6831 7.4528 7.4528 k = 0.2072 0.3114 0.1492 ( 11624 PWs) bands (ev): -11.5855 -11.5855 -11.5833 -11.5833 -9.7923 -9.7923 -9.7869 -9.7869 -5.1025 -5.1025 -5.0874 -5.0874 -4.8257 -4.8257 -4.8149 -4.8149 -3.5446 -3.5446 -3.5088 -3.5088 -3.1710 -3.1710 -3.1513 -3.1513 -2.9399 -2.9399 -2.9278 -2.9278 -1.7074 -1.7074 -1.6333 -1.6333 -0.2964 -0.2964 -0.1913 -0.1913 0.2499 0.2499 0.3704 0.3704 0.5576 0.5576 0.6112 0.6112 0.8610 0.8610 1.0024 1.0024 1.1519 1.1519 1.3091 1.3091 3.7943 3.7943 3.9038 3.9038 6.5364 6.5364 6.6921 6.6921 7.4459 7.4459 k = 0.1995 0.2999 0.1492 ( 11622 PWs) bands (ev): -11.5889 -11.5889 -11.5867 -11.5867 -9.7998 -9.7998 -9.7944 -9.7944 -5.1045 -5.1045 -5.0898 -5.0898 -4.8267 -4.8267 -4.8159 -4.8159 -3.5456 -3.5456 -3.5108 -3.5108 -3.1724 -3.1724 -3.1532 -3.1532 -2.9403 -2.9403 -2.9275 -2.9275 -1.7107 -1.7107 -1.6380 -1.6380 -0.2822 -0.2822 -0.1779 -0.1779 0.2774 0.2774 0.3983 0.3983 0.5925 0.5925 0.6502 0.6502 0.8674 0.8674 1.0116 1.0116 1.1640 1.1640 1.3275 1.3275 3.7973 3.7973 3.9072 3.9072 6.5393 6.5393 6.7020 6.7020 7.4357 7.4357 k = 0.1919 0.2883 0.1492 ( 11608 PWs) bands (ev): -11.5923 -11.5923 -11.5901 -11.5901 -9.8073 -9.8073 -9.8020 -9.8020 -5.1065 -5.1065 -5.0921 -5.0921 -4.8277 -4.8277 -4.8170 -4.8170 -3.5467 -3.5467 -3.5128 -3.5128 -3.1739 -3.1739 -3.1552 -3.1552 -2.9407 -2.9407 -2.9273 -2.9273 -1.7141 -1.7141 -1.6428 -1.6428 -0.2680 -0.2680 -0.1649 -0.1649 0.3066 0.3066 0.4274 0.4274 0.6253 0.6253 0.6891 0.6891 0.8772 0.8772 1.0232 1.0232 1.1767 1.1767 1.3463 1.3463 3.7989 3.7989 3.9091 3.9091 6.5433 6.5433 6.7127 6.7127 7.4217 7.4217 k = 0.1842 0.2768 0.1492 ( 11612 PWs) bands (ev): -11.5957 -11.5957 -11.5936 -11.5936 -9.8147 -9.8147 -9.8096 -9.8096 -5.1084 -5.1084 -5.0944 -5.0944 -4.8287 -4.8287 -4.8182 -4.8182 -3.5477 -3.5477 -3.5149 -3.5149 -3.1752 -3.1752 -3.1571 -3.1571 -2.9412 -2.9412 -2.9274 -2.9274 -1.7175 -1.7175 -1.6478 -1.6478 -0.2539 -0.2539 -0.1524 -0.1524 0.3373 0.3373 0.4576 0.4576 0.6552 0.6552 0.7276 0.7276 0.8906 0.8906 1.0374 1.0374 1.1901 1.1901 1.3656 1.3656 3.7992 3.7992 3.9095 3.9095 6.5481 6.5481 6.7241 6.7241 7.4033 7.4033 k = 0.1765 0.2653 0.1492 ( 11612 PWs) bands (ev): -11.5992 -11.5992 -11.5970 -11.5970 -9.8222 -9.8222 -9.8172 -9.8172 -5.1102 -5.1102 -5.0966 -5.0966 -4.8298 -4.8298 -4.8194 -4.8194 -3.5488 -3.5488 -3.5170 -3.5170 -3.1765 -3.1765 -3.1590 -3.1590 -2.9416 -2.9416 -2.9276 -2.9276 -1.7208 -1.7208 -1.6529 -1.6529 -0.2398 -0.2398 -0.1403 -0.1403 0.3694 0.3694 0.4889 0.4889 0.6821 0.6821 0.7649 0.7649 0.9079 0.9079 1.0539 1.0539 1.2045 1.2045 1.3854 1.3854 3.7982 3.7982 3.9083 3.9083 6.5535 6.5535 6.7357 6.7357 7.3803 7.3803 k = 0.1688 0.2537 0.1492 ( 11640 PWs) bands (ev): -11.6026 -11.6026 -11.6005 -11.6005 -9.8297 -9.8297 -9.8248 -9.8248 -5.1120 -5.1120 -5.0988 -5.0988 -4.8308 -4.8308 -4.8207 -4.8207 -3.5498 -3.5498 -3.5192 -3.5192 -3.1777 -3.1777 -3.1608 -3.1608 -2.9421 -2.9421 -2.9279 -2.9279 -1.7240 -1.7240 -1.6581 -1.6581 -0.2259 -0.2259 -0.1285 -0.1285 0.4027 0.4027 0.5210 0.5210 0.7062 0.7062 0.8006 0.8006 0.9285 0.9285 1.0728 1.0728 1.2200 1.2200 1.4058 1.4058 3.7957 3.7957 3.9054 3.9054 6.5592 6.5592 6.7472 6.7472 7.3527 7.3527 k = 0.1612 0.2422 0.1492 ( 11634 PWs) bands (ev): -11.6060 -11.6060 -11.6039 -11.6039 -9.8370 -9.8370 -9.8323 -9.8323 -5.1137 -5.1137 -5.1009 -5.1009 -4.8319 -4.8319 -4.8220 -4.8220 -3.5508 -3.5508 -3.5214 -3.5214 -3.1788 -3.1788 -3.1626 -3.1626 -2.9427 -2.9427 -2.9284 -2.9284 -1.7272 -1.7272 -1.6634 -1.6634 -0.2120 -0.2120 -0.1172 -0.1172 0.4372 0.4372 0.5540 0.5540 0.7279 0.7279 0.8339 0.8339 0.9518 0.9518 1.0936 1.0936 1.2371 1.2371 1.4271 1.4271 3.7919 3.7919 3.9010 3.9010 6.5647 6.5647 6.7578 6.7578 7.3210 7.3210 k = 0.1535 0.2307 0.1492 ( 11640 PWs) bands (ev): -11.6093 -11.6093 -11.6074 -11.6074 -9.8443 -9.8443 -9.8397 -9.8397 -5.1153 -5.1153 -5.1030 -5.1030 -4.8330 -4.8330 -4.8233 -4.8233 -3.5517 -3.5517 -3.5236 -3.5236 -3.1799 -3.1799 -3.1644 -3.1644 -2.9433 -2.9433 -2.9291 -2.9291 -1.7302 -1.7302 -1.6687 -1.6687 -0.1983 -0.1983 -0.1063 -0.1063 0.4724 0.4724 0.5875 0.5875 0.7481 0.7481 0.8646 0.8646 0.9769 0.9769 1.1159 1.1159 1.2561 1.2561 1.4493 1.4493 3.7867 3.7867 3.8949 3.8949 6.5693 6.5693 6.7666 6.7666 7.2865 7.2865 k = 0.1458 0.2191 0.1492 ( 11636 PWs) bands (ev): -11.6126 -11.6126 -11.6107 -11.6107 -9.8514 -9.8514 -9.8470 -9.8470 -5.1168 -5.1168 -5.1050 -5.1050 -4.8341 -4.8341 -4.8247 -4.8247 -3.5527 -3.5527 -3.5259 -3.5259 -3.1809 -3.1809 -3.1661 -3.1661 -2.9439 -2.9439 -2.9299 -2.9299 -1.7332 -1.7332 -1.6741 -1.6741 -0.1847 -0.1847 -0.0958 -0.0958 0.5084 0.5084 0.6214 0.6214 0.7674 0.7674 0.8926 0.8926 1.0024 1.0024 1.1391 1.1391 1.2775 1.2775 1.4725 1.4725 3.7803 3.7803 3.8873 3.8873 6.5720 6.5720 6.7720 6.7720 7.2512 7.2512 k = 0.1381 0.2076 0.1492 ( 11650 PWs) bands (ev): -11.6158 -11.6158 -11.6140 -11.6140 -9.8584 -9.8584 -9.8541 -9.8541 -5.1183 -5.1183 -5.1070 -5.1070 -4.8351 -4.8351 -4.8261 -4.8261 -3.5536 -3.5536 -3.5281 -3.5281 -3.1818 -3.1818 -3.1677 -3.1677 -2.9445 -2.9445 -2.9309 -2.9309 -1.7360 -1.7360 -1.6795 -1.6795 -0.1714 -0.1714 -0.0857 -0.0857 0.5446 0.5446 0.6555 0.6555 0.7865 0.7865 0.9181 0.9181 1.0274 1.0274 1.1626 1.1626 1.3016 1.3016 1.4969 1.4969 3.7726 3.7726 3.8781 3.8781 6.5721 6.5721 6.7721 6.7721 7.2176 7.2176 k = 0.1305 0.1961 0.1492 ( 11652 PWs) bands (ev): -11.6190 -11.6190 -11.6172 -11.6172 -9.8651 -9.8651 -9.8611 -9.8611 -5.1196 -5.1196 -5.1089 -5.1089 -4.8361 -4.8361 -4.8275 -4.8275 -3.5544 -3.5544 -3.5303 -3.5303 -3.1826 -3.1826 -3.1693 -3.1693 -2.9452 -2.9452 -2.9319 -2.9319 -1.7387 -1.7387 -1.6850 -1.6850 -0.1582 -0.1582 -0.0761 -0.0761 0.5808 0.5808 0.6894 0.6894 0.8059 0.8059 0.9411 0.9411 1.0513 1.0513 1.1855 1.1855 1.3287 1.3287 1.5224 1.5224 3.7638 3.7638 3.8675 3.8675 6.5682 6.5682 6.7642 6.7642 7.1893 7.1893 k = 0.1228 0.1845 0.1492 ( 11644 PWs) bands (ev): -11.6220 -11.6220 -11.6203 -11.6203 -9.8717 -9.8717 -9.8678 -9.8678 -5.1209 -5.1209 -5.1107 -5.1107 -4.8371 -4.8371 -4.8289 -4.8289 -3.5552 -3.5552 -3.5325 -3.5325 -3.1834 -3.1834 -3.1708 -3.1708 -2.9459 -2.9459 -2.9331 -2.9331 -1.7413 -1.7413 -1.6904 -1.6904 -0.1454 -0.1454 -0.0670 -0.0670 0.6167 0.6167 0.7230 0.7230 0.8260 0.8260 0.9618 0.9618 1.0737 1.0737 1.2072 1.2072 1.3587 1.3587 1.5489 1.5489 3.7539 3.7539 3.8555 3.8555 6.5591 6.5591 6.7461 6.7461 7.1695 7.1695 k = 0.1151 0.1730 0.1492 ( 11648 PWs) bands (ev): -11.6249 -11.6249 -11.6234 -11.6234 -9.8780 -9.8780 -9.8743 -9.8743 -5.1221 -5.1221 -5.1124 -5.1124 -4.8381 -4.8381 -4.8302 -4.8302 -3.5560 -3.5560 -3.5346 -3.5346 -3.1840 -3.1840 -3.1723 -3.1723 -2.9466 -2.9466 -2.9343 -2.9343 -1.7437 -1.7437 -1.6957 -1.6957 -0.1328 -0.1328 -0.0584 -0.0584 0.6518 0.6518 0.7559 0.7559 0.8472 0.8472 0.9802 0.9802 1.0948 1.0948 1.2273 1.2273 1.3914 1.3914 1.5763 1.5763 3.7431 3.7431 3.8421 3.8421 6.5441 6.5441 6.7166 6.7166 7.1603 7.1603 k = 0.1074 0.1615 0.1492 ( 11646 PWs) bands (ev): -11.6278 -11.6278 -11.6263 -11.6263 -9.8840 -9.8840 -9.8805 -9.8805 -5.1231 -5.1231 -5.1140 -5.1140 -4.8390 -4.8390 -4.8316 -4.8316 -3.5567 -3.5567 -3.5368 -3.5368 -3.1846 -3.1846 -3.1737 -3.1737 -2.9473 -2.9473 -2.9356 -2.9356 -1.7459 -1.7459 -1.7009 -1.7009 -0.1206 -0.1206 -0.0504 -0.0504 0.6857 0.6857 0.7879 0.7879 0.8695 0.8695 0.9963 0.9963 1.1149 1.1149 1.2453 1.2453 1.4263 1.4263 1.6042 1.6042 3.7316 3.7316 3.8277 3.8277 6.5224 6.5224 6.6767 6.6767 7.1617 7.1617 k = 0.0998 0.1499 0.1492 ( 11646 PWs) bands (ev): -11.6304 -11.6304 -11.6290 -11.6290 -9.8898 -9.8898 -9.8865 -9.8865 -5.1241 -5.1241 -5.1156 -5.1156 -4.8399 -4.8399 -4.8329 -4.8329 -3.5573 -3.5573 -3.5388 -3.5388 -3.1851 -3.1851 -3.1750 -3.1750 -2.9480 -2.9480 -2.9370 -2.9370 -1.7479 -1.7479 -1.7061 -1.7061 -0.1088 -0.1088 -0.0430 -0.0430 0.7179 0.7179 0.8188 0.8188 0.8932 0.8932 1.0103 1.0103 1.1342 1.1342 1.2612 1.2612 1.4626 1.4626 1.6324 1.6324 3.7195 3.7195 3.8122 3.8122 6.4943 6.4943 6.6287 6.6287 7.1724 7.1724 k = 0.0921 0.1384 0.1492 ( 11650 PWs) bands (ev): -11.6330 -11.6330 -11.6317 -11.6317 -9.8951 -9.8951 -9.8921 -9.8921 -5.1250 -5.1250 -5.1171 -5.1171 -4.8407 -4.8407 -4.8342 -4.8342 -3.5579 -3.5579 -3.5408 -3.5408 -3.1856 -3.1856 -3.1762 -3.1762 -2.9487 -2.9487 -2.9384 -2.9384 -1.7498 -1.7498 -1.7111 -1.7111 -0.0975 -0.0975 -0.0362 -0.0362 0.7481 0.7481 0.8484 0.8484 0.9179 0.9179 1.0223 1.0223 1.1529 1.1529 1.2751 1.2751 1.4998 1.4998 1.6603 1.6603 3.7071 3.7071 3.7959 3.7959 6.4606 6.4606 6.5754 6.5754 7.1905 7.1905 k = 0.0844 0.1269 0.1492 ( 11634 PWs) bands (ev): -11.6353 -11.6353 -11.6341 -11.6341 -9.9002 -9.9002 -9.8974 -9.8974 -5.1258 -5.1258 -5.1185 -5.1185 -4.8414 -4.8414 -4.8354 -4.8354 -3.5584 -3.5584 -3.5427 -3.5427 -3.1860 -3.1860 -3.1774 -3.1774 -2.9494 -2.9494 -2.9398 -2.9398 -1.7514 -1.7514 -1.7159 -1.7159 -0.0866 -0.0866 -0.0300 -0.0300 0.7761 0.7761 0.8764 0.8764 0.9433 0.9433 1.0326 1.0326 1.1711 1.1711 1.2870 1.2870 1.5372 1.5372 1.6877 1.6877 3.6945 3.6945 3.7790 3.7790 6.4226 6.4226 6.5195 6.5195 7.2142 7.2142 k = 0.0767 0.1153 0.1492 ( 11650 PWs) bands (ev): -11.6375 -11.6375 -11.6364 -11.6364 -9.9049 -9.9049 -9.9023 -9.9023 -5.1265 -5.1265 -5.1198 -5.1198 -4.8421 -4.8421 -4.8366 -4.8366 -3.5588 -3.5588 -3.5446 -3.5446 -3.1863 -3.1863 -3.1785 -3.1785 -2.9500 -2.9500 -2.9411 -2.9411 -1.7529 -1.7529 -1.7205 -1.7205 -0.0763 -0.0763 -0.0245 -0.0245 0.8017 0.8017 0.9025 0.9025 0.9690 0.9690 1.0417 1.0417 1.1886 1.1886 1.2970 1.2970 1.5743 1.5743 1.7140 1.7140 3.6822 3.6822 3.7617 3.7617 6.3819 6.3819 6.4630 6.4630 7.2421 7.2421 k = 0.0691 0.1038 0.1492 ( 11648 PWs) bands (ev): -11.6396 -11.6396 -11.6386 -11.6386 -9.9091 -9.9091 -9.9068 -9.9068 -5.1271 -5.1271 -5.1211 -5.1211 -4.8427 -4.8427 -4.8377 -4.8377 -3.5591 -3.5591 -3.5463 -3.5463 -3.1865 -3.1865 -3.1795 -3.1795 -2.9505 -2.9505 -2.9425 -2.9425 -1.7540 -1.7540 -1.7249 -1.7249 -0.0666 -0.0666 -0.0197 -0.0197 0.8252 0.8252 0.9259 0.9259 0.9943 0.9943 1.0503 1.0503 1.2054 1.2054 1.3052 1.3052 1.6105 1.6105 1.7387 1.7387 3.6702 3.6702 3.7443 3.7443 6.3400 6.3400 6.4075 6.4075 7.2731 7.2731 k = 0.0614 0.0923 0.1492 ( 11668 PWs) bands (ev): -11.6414 -11.6414 -11.6405 -11.6405 -9.9130 -9.9130 -9.9109 -9.9109 -5.1276 -5.1276 -5.1222 -5.1222 -4.8432 -4.8432 -4.8388 -4.8388 -3.5594 -3.5594 -3.5480 -3.5480 -3.1867 -3.1867 -3.1804 -3.1804 -2.9510 -2.9510 -2.9438 -2.9438 -1.7550 -1.7550 -1.7291 -1.7291 -0.0576 -0.0576 -0.0156 -0.0156 0.8467 0.8467 0.9457 0.9457 1.0189 1.0189 1.0591 1.0591 1.2211 1.2211 1.3116 1.3116 1.6454 1.6454 1.7616 1.7616 3.6590 3.6590 3.7269 3.7269 6.2987 6.2987 6.3544 6.3544 7.3060 7.3060 k = 0.0537 0.0807 0.1492 ( 11672 PWs) bands (ev): -11.6430 -11.6430 -11.6422 -11.6422 -9.9164 -9.9164 -9.9146 -9.9146 -5.1280 -5.1280 -5.1233 -5.1233 -4.8437 -4.8437 -4.8398 -4.8398 -3.5595 -3.5595 -3.5496 -3.5496 -3.1868 -3.1868 -3.1813 -3.1813 -2.9514 -2.9514 -2.9450 -2.9450 -1.7556 -1.7556 -1.7330 -1.7330 -0.0492 -0.0492 -0.0123 -0.0123 0.8663 0.8663 0.9611 0.9611 1.0421 1.0421 1.0689 1.0689 1.2357 1.2357 1.3163 1.3163 1.6786 1.6786 1.7820 1.7820 3.6488 3.6488 3.7101 3.7101 6.2592 6.2592 6.3049 6.3049 7.3398 7.3398 k = 0.0460 0.0692 0.1492 ( 11672 PWs) bands (ev): -11.6444 -11.6444 -11.6438 -11.6438 -9.9194 -9.9194 -9.9179 -9.9179 -5.1283 -5.1283 -5.1242 -5.1242 -4.8440 -4.8440 -4.8407 -4.8407 -3.5595 -3.5595 -3.5510 -3.5510 -3.1868 -3.1868 -3.1821 -3.1821 -2.9517 -2.9517 -2.9462 -2.9462 -1.7560 -1.7560 -1.7366 -1.7366 -0.0415 -0.0415 -0.0097 -0.0097 0.8842 0.8842 0.9718 0.9718 1.0633 1.0633 1.0798 1.0798 1.2491 1.2491 1.3193 1.3193 1.7096 1.7096 1.7996 1.7996 3.6399 3.6399 3.6939 3.6939 6.2229 6.2229 6.2599 6.2599 7.3734 7.3734 k = 0.0384 0.0577 0.1492 ( 11668 PWs) bands (ev): -11.6456 -11.6456 -11.6451 -11.6451 -9.9220 -9.9220 -9.9206 -9.9206 -5.1285 -5.1285 -5.1251 -5.1251 -4.8443 -4.8443 -4.8415 -4.8415 -3.5595 -3.5595 -3.5524 -3.5524 -3.1868 -3.1868 -3.1829 -3.1829 -2.9519 -2.9519 -2.9473 -2.9473 -1.7561 -1.7561 -1.7400 -1.7400 -0.0345 -0.0345 -0.0079 -0.0079 0.9007 0.9007 0.9778 0.9778 1.0820 1.0820 1.0915 1.0915 1.2612 1.2612 1.3207 1.3207 1.7379 1.7379 1.8141 1.8141 3.6326 3.6326 3.6787 3.6787 6.1908 6.1908 6.2202 6.2202 7.4059 7.4059 k = 0.0307 0.0461 0.1492 ( 11660 PWs) bands (ev): -11.6466 -11.6466 -11.6462 -11.6462 -9.9240 -9.9240 -9.9230 -9.9230 -5.1286 -5.1286 -5.1259 -5.1259 -4.8444 -4.8444 -4.8422 -4.8422 -3.5593 -3.5593 -3.5536 -3.5536 -3.1867 -3.1867 -3.1836 -3.1836 -2.9520 -2.9520 -2.9483 -2.9483 -1.7560 -1.7560 -1.7430 -1.7430 -0.0282 -0.0282 -0.0070 -0.0070 0.9157 0.9157 0.9798 0.9798 1.0977 1.0977 1.1032 1.1032 1.2721 1.2721 1.3205 1.3205 1.7632 1.7632 1.8249 1.8249 3.6272 3.6272 3.6649 3.6649 6.1637 6.1637 6.1863 6.1863 7.4362 7.4362 k = 0.0230 0.0346 0.1492 ( 11660 PWs) bands (ev): -11.6474 -11.6474 -11.6470 -11.6470 -9.9256 -9.9256 -9.9248 -9.9248 -5.1286 -5.1286 -5.1265 -5.1265 -4.8445 -4.8445 -4.8428 -4.8428 -3.5590 -3.5590 -3.5548 -3.5548 -3.1865 -3.1865 -3.1842 -3.1842 -2.9519 -2.9519 -2.9492 -2.9492 -1.7555 -1.7555 -1.7458 -1.7458 -0.0228 -0.0228 -0.0068 -0.0068 0.9292 0.9292 0.9786 0.9786 1.1100 1.1100 1.1138 1.1138 1.2818 1.2818 1.3187 1.3187 1.7852 1.7852 1.8319 1.8319 3.6239 3.6239 3.6526 3.6526 6.1425 6.1425 6.1589 6.1589 7.4631 7.4631 k = 0.0153 0.0231 0.1492 ( 11648 PWs) bands (ev): -11.6479 -11.6479 -11.6477 -11.6477 -9.9267 -9.9267 -9.9262 -9.9262 -5.1285 -5.1285 -5.1271 -5.1271 -4.8445 -4.8445 -4.8434 -4.8434 -3.5586 -3.5586 -3.5558 -3.5558 -3.1863 -3.1863 -3.1848 -3.1848 -2.9518 -2.9518 -2.9499 -2.9499 -1.7547 -1.7547 -1.7482 -1.7482 -0.0181 -0.0181 -0.0074 -0.0074 0.9414 0.9414 0.9749 0.9749 1.1191 1.1191 1.1219 1.1219 1.2906 1.2906 1.3155 1.3155 1.8034 1.8034 1.8348 1.8348 3.6229 3.6229 3.6422 3.6422 6.1276 6.1276 6.1383 6.1383 7.4856 7.4856 k = 0.0077 0.0115 0.1492 ( 11630 PWs) bands (ev): -11.6482 -11.6482 -11.6481 -11.6481 -9.9273 -9.9273 -9.9271 -9.9271 -5.1283 -5.1283 -5.1276 -5.1276 -4.8443 -4.8443 -4.8438 -4.8438 -3.5581 -3.5581 -3.5567 -3.5567 -3.1860 -3.1860 -3.1852 -3.1852 -2.9515 -2.9515 -2.9506 -2.9506 -1.7535 -1.7535 -1.7503 -1.7503 -0.0142 -0.0142 -0.0089 -0.0089 0.9522 0.9522 0.9691 0.9691 1.1250 1.1250 1.1266 1.1266 1.2984 1.2984 1.3110 1.3110 1.8177 1.8177 1.8334 1.8334 3.6242 3.6242 3.6339 3.6339 6.1195 6.1195 6.1248 6.1248 7.5029 7.5029 k = 0.0000 0.0000 0.1492 ( 11636 PWs) bands (ev): -11.6483 -11.6483 -11.6483 -11.6483 -9.9274 -9.9274 -9.9274 -9.9274 -5.1280 -5.1280 -5.1280 -5.1280 -4.8441 -4.8441 -4.8441 -4.8441 -3.5574 -3.5574 -3.5574 -3.5574 -3.1857 -3.1857 -3.1857 -3.1857 -2.9511 -2.9511 -2.9511 -2.9511 -1.7521 -1.7521 -1.7521 -1.7521 -0.0111 -0.0111 -0.0111 -0.0111 0.9614 0.9614 0.9614 0.9614 1.1276 1.1276 1.1276 1.1276 1.3052 1.3052 1.3052 1.3052 1.8277 1.8277 1.8277 1.8277 3.6279 3.6279 3.6279 3.6279 6.1186 6.1186 6.1186 6.1186 7.5142 7.5142 k = 0.0000 0.0000 0.1492 ( 11636 PWs) bands (ev): -11.6483 -11.6483 -11.6483 -11.6483 -9.9274 -9.9274 -9.9274 -9.9274 -5.1280 -5.1280 -5.1280 -5.1280 -4.8441 -4.8441 -4.8441 -4.8441 -3.5574 -3.5574 -3.5574 -3.5574 -3.1857 -3.1857 -3.1857 -3.1857 -2.9511 -2.9511 -2.9511 -2.9511 -1.7521 -1.7521 -1.7521 -1.7521 -0.0111 -0.0111 -0.0111 -0.0111 0.9614 0.9614 0.9614 0.9614 1.1276 1.1276 1.1276 1.1276 1.3052 1.3052 1.3052 1.3052 1.8277 1.8277 1.8277 1.8277 3.6279 3.6279 3.6279 3.6279 6.1186 6.1186 6.1186 6.1186 7.5142 7.5142 k = 0.0000 0.0000 0.1356 ( 11626 PWs) bands (ev): -11.6489 -11.6489 -11.6476 -11.6476 -9.9289 -9.9289 -9.9259 -9.9259 -5.1289 -5.1289 -5.1271 -5.1271 -4.8441 -4.8441 -4.8441 -4.8441 -3.5604 -3.5604 -3.5545 -3.5545 -3.1859 -3.1859 -3.1854 -3.1854 -2.9512 -2.9512 -2.9509 -2.9509 -1.7649 -1.7649 -1.7387 -1.7387 -0.0433 -0.0433 0.0205 0.0205 0.9522 0.9522 0.9709 0.9709 1.1209 1.1209 1.1348 1.1348 1.2995 1.2995 1.3115 1.3115 1.8268 1.8268 1.8284 1.8284 3.5719 3.5719 3.6837 3.6837 6.1110 6.1110 6.1254 6.1254 7.5114 7.5114 k = 0.0000 0.0000 0.1221 ( 11634 PWs) bands (ev): -11.6495 -11.6495 -11.6470 -11.6470 -9.9304 -9.9304 -9.9244 -9.9244 -5.1298 -5.1298 -5.1262 -5.1262 -4.8442 -4.8442 -4.8441 -4.8441 -3.5633 -3.5633 -3.5516 -3.5516 -3.1861 -3.1861 -3.1852 -3.1852 -2.9514 -2.9514 -2.9508 -2.9508 -1.7771 -1.7771 -1.7252 -1.7252 -0.0754 -0.0754 0.0508 0.0508 0.9435 0.9435 0.9804 0.9804 1.1148 1.1148 1.1424 1.1424 1.2942 1.2942 1.3181 1.3181 1.8257 1.8257 1.8290 1.8290 3.5168 3.5168 3.7384 3.7384 6.1027 6.1027 6.1313 6.1313 7.5084 7.5084 k = 0.0000 0.0000 0.1085 ( 11642 PWs) bands (ev): -11.6501 -11.6501 -11.6464 -11.6464 -9.9319 -9.9319 -9.9230 -9.9230 -5.1307 -5.1307 -5.1254 -5.1254 -4.8442 -4.8442 -4.8440 -4.8440 -3.5660 -3.5660 -3.5489 -3.5489 -3.1863 -3.1863 -3.1850 -3.1850 -2.9515 -2.9515 -2.9507 -2.9507 -1.7884 -1.7884 -1.7117 -1.7117 -0.1068 -0.1068 0.0793 0.0793 0.9354 0.9354 0.9895 0.9895 1.1093 1.1093 1.1504 1.1504 1.2894 1.2894 1.3253 1.3253 1.8245 1.8245 1.8292 1.8292 3.4635 3.4635 3.7909 3.7909 6.0939 6.0939 6.1363 6.1363 7.5053 7.5053 k = 0.0000 0.0000 0.0949 ( 11643 PWs) bands (ev): -11.6506 -11.6506 -11.6459 -11.6459 -9.9332 -9.9332 -9.9217 -9.9217 -5.1315 -5.1315 -5.1246 -5.1246 -4.8442 -4.8442 -4.8440 -4.8440 -3.5686 -3.5686 -3.5463 -3.5463 -3.1865 -3.1865 -3.1848 -3.1848 -2.9517 -2.9517 -2.9505 -2.9505 -1.7986 -1.7986 -1.6986 -1.6986 -0.1367 -0.1367 0.1056 0.1056 0.9282 0.9282 0.9979 0.9979 1.1044 1.1044 1.1584 1.1584 1.2849 1.2849 1.3329 1.3329 1.8232 1.8232 1.8292 1.8292 3.4133 3.4133 3.8402 3.8402 6.0849 6.0849 6.1405 6.1405 7.5023 7.5023 k = 0.0000 0.0000 0.0814 ( 11643 PWs) bands (ev): -11.6511 -11.6511 -11.6454 -11.6454 -9.9344 -9.9344 -9.9205 -9.9205 -5.1322 -5.1322 -5.1239 -5.1239 -4.8443 -4.8443 -4.8440 -4.8440 -3.5710 -3.5710 -3.5440 -3.5440 -3.1867 -3.1867 -3.1846 -3.1846 -2.9518 -2.9518 -2.9504 -2.9504 -1.8077 -1.8077 -1.6862 -1.6862 -0.1645 -0.1645 0.1290 0.1290 0.9219 0.9219 1.0055 1.0055 1.1001 1.1001 1.1664 1.1664 1.2808 1.2808 1.3407 1.3407 1.8220 1.8220 1.8290 1.8290 3.3669 3.3669 3.8854 3.8854 6.0759 6.0759 6.1438 6.1438 7.4993 7.4993 k = 0.0000 0.0000 0.0678 ( 11635 PWs) bands (ev): -11.6515 -11.6515 -11.6449 -11.6449 -9.9355 -9.9355 -9.9194 -9.9194 -5.1328 -5.1328 -5.1233 -5.1233 -4.8443 -4.8443 -4.8439 -4.8439 -3.5731 -3.5731 -3.5419 -3.5419 -3.1868 -3.1868 -3.1844 -3.1844 -2.9519 -2.9519 -2.9503 -2.9503 -1.8156 -1.8156 -1.6749 -1.6749 -0.1894 -0.1894 0.1494 0.1494 0.9166 0.9166 1.0120 1.0120 1.0966 1.0966 1.1741 1.1741 1.2771 1.2771 1.3485 1.3485 1.8207 1.8207 1.8286 1.8286 3.3255 3.3255 3.9256 3.9256 6.0674 6.0674 6.1465 6.1465 7.4966 7.4966 k = 0.0000 0.0000 0.0543 ( 11643 PWs) bands (ev): -11.6519 -11.6519 -11.6446 -11.6446 -9.9364 -9.9364 -9.9185 -9.9185 -5.1334 -5.1334 -5.1227 -5.1227 -4.8443 -4.8443 -4.8439 -4.8439 -3.5749 -3.5749 -3.5402 -3.5402 -3.1869 -3.1869 -3.1843 -3.1843 -2.9520 -2.9520 -2.9502 -2.9502 -1.8221 -1.8221 -1.6650 -1.6650 -0.2107 -0.2107 0.1664 0.1664 0.9123 0.9123 1.0173 1.0173 1.0938 1.0938 1.1810 1.1810 1.2738 1.2738 1.3559 1.3559 1.8196 1.8196 1.8281 1.8281 3.2901 3.2901 3.9599 3.9599 6.0596 6.0596 6.1485 6.1485 7.4942 7.4942 k = 0.0000 0.0000 0.0407 ( 11649 PWs) bands (ev): -11.6522 -11.6522 -11.6443 -11.6443 -9.9371 -9.9371 -9.9177 -9.9177 -5.1338 -5.1338 -5.1223 -5.1223 -4.8443 -4.8443 -4.8439 -4.8439 -3.5763 -3.5763 -3.5388 -3.5388 -3.1870 -3.1870 -3.1842 -3.1842 -2.9520 -2.9520 -2.9501 -2.9501 -1.8273 -1.8273 -1.6568 -1.6568 -0.2280 -0.2280 0.1798 0.1798 0.9089 0.9089 1.0213 1.0213 1.0916 1.0916 1.1869 1.1869 1.2711 1.2711 1.3624 1.3624 1.8187 1.8187 1.8275 1.8275 3.2615 3.2615 3.9875 3.9875 6.0531 6.0531 6.1499 6.1499 7.4923 7.4923 k = 0.0000 0.0000 0.0271 ( 11643 PWs) bands (ev): -11.6524 -11.6524 -11.6440 -11.6440 -9.9377 -9.9377 -9.9172 -9.9172 -5.1342 -5.1342 -5.1220 -5.1220 -4.8443 -4.8443 -4.8439 -4.8439 -3.5773 -3.5773 -3.5378 -3.5378 -3.1871 -3.1871 -3.1841 -3.1841 -2.9521 -2.9521 -2.9501 -2.9501 -1.8310 -1.8310 -1.6508 -1.6508 -0.2408 -0.2408 0.1895 0.1895 0.9065 0.9065 1.0242 1.0242 1.0902 1.0902 1.1914 1.1914 1.2689 1.2689 1.3676 1.3676 1.8179 1.8179 1.8271 1.8271 3.2405 3.2405 4.0077 4.0077 6.0482 6.0482 6.1509 6.1509 7.4908 7.4908 k = 0.0000 0.0000 0.0136 ( 11649 PWs) bands (ev): -11.6526 -11.6526 -11.6439 -11.6439 -9.9380 -9.9380 -9.9169 -9.9169 -5.1344 -5.1344 -5.1218 -5.1218 -4.8443 -4.8443 -4.8439 -4.8439 -3.5780 -3.5780 -3.5372 -3.5372 -3.1872 -3.1872 -3.1840 -3.1840 -2.9521 -2.9521 -2.9500 -2.9500 -1.8332 -1.8332 -1.6471 -1.6471 -0.2486 -0.2486 0.1953 0.1953 0.9051 0.9051 1.0258 1.0258 1.0893 1.0893 1.1942 1.1942 1.2676 1.2676 1.3709 1.3709 1.8174 1.8174 1.8267 1.8267 3.2276 3.2276 4.0200 4.0200 6.0451 6.0451 6.1514 6.1514 7.4899 7.4899 k = 0.0000 0.0000 0.0000 ( 11639 PWs) bands (ev): -11.6526 -11.6526 -11.6439 -11.6439 -9.9381 -9.9381 -9.9168 -9.9168 -5.1344 -5.1344 -5.1218 -5.1218 -4.8443 -4.8443 -4.8439 -4.8439 -3.5782 -3.5782 -3.5370 -3.5370 -3.1872 -3.1872 -3.1840 -3.1840 -2.9521 -2.9521 -2.9500 -2.9500 -1.8339 -1.8339 -1.6458 -1.6458 -0.2512 -0.2512 0.1973 0.1973 0.9046 0.9046 1.0263 1.0263 1.0890 1.0890 1.1952 1.1952 1.2671 1.2671 1.3720 1.3720 1.8172 1.8172 1.8266 1.8266 3.2233 3.2233 4.0242 4.0242 6.0440 6.0440 6.1516 6.1516 7.4896 7.4896 k = 0.0000 0.0000 0.0000 ( 11639 PWs) bands (ev): -11.6526 -11.6526 -11.6439 -11.6439 -9.9381 -9.9381 -9.9168 -9.9168 -5.1344 -5.1344 -5.1218 -5.1218 -4.8443 -4.8443 -4.8439 -4.8439 -3.5782 -3.5782 -3.5370 -3.5370 -3.1872 -3.1872 -3.1840 -3.1840 -2.9521 -2.9521 -2.9500 -2.9500 -1.8339 -1.8339 -1.6458 -1.6458 -0.2512 -0.2512 0.1973 0.1973 0.9046 0.9046 1.0263 1.0263 1.0890 1.0890 1.1952 1.1952 1.2671 1.2671 1.3720 1.3720 1.8172 1.8172 1.8266 1.8266 3.2233 3.2233 4.0242 4.0242 6.0440 6.0440 6.1516 6.1516 7.4896 7.4896 k =-0.0114 0.0076 0.0000 ( 11639 PWs) bands (ev): -11.6525 -11.6524 -11.6438 -11.6436 -9.9380 -9.9376 -9.9167 -9.9163 -5.1346 -5.1340 -5.1221 -5.1212 -4.8445 -4.8441 -4.8441 -4.8436 -3.5787 -3.5773 -3.5379 -3.5358 -3.1876 -3.1865 -3.1844 -3.1834 -2.9522 -2.9522 -2.9501 -2.9501 -1.8348 -1.8326 -1.6483 -1.6439 -0.2517 -0.2503 0.1951 0.1973 0.8990 0.9074 1.0229 1.0280 1.0793 1.0947 1.1921 1.1947 1.2651 1.2671 1.3643 1.3789 1.8128 1.8175 1.8242 1.8247 3.2190 3.2340 4.0179 4.0304 6.0454 6.0507 6.1526 6.1568 7.4882 7.4945 k =-0.0227 0.0151 0.0000 ( 11625 PWs) bands (ev): -11.6521 -11.6518 -11.6434 -11.6431 -9.9372 -9.9364 -9.9160 -9.9152 -5.1346 -5.1333 -5.1221 -5.1204 -4.8447 -4.8442 -4.8437 -4.8433 -3.5789 -3.5762 -3.5385 -3.5344 -3.1877 -3.1856 -3.1845 -3.1825 -2.9524 -2.9524 -2.9503 -2.9503 -1.8352 -1.8309 -1.6515 -1.6425 -0.2517 -0.2489 0.1910 0.1954 0.8903 0.9075 1.0177 1.0276 1.0657 1.0965 1.1853 1.1912 1.2612 1.2655 1.3559 1.3849 1.8046 1.8131 1.8177 1.8183 3.2214 3.2511 4.0118 4.0364 6.0546 6.0651 6.1598 6.1683 7.4903 7.5028 k =-0.0341 0.0227 0.0000 ( 11620 PWs) bands (ev): -11.6514 -11.6509 -11.6428 -11.6422 -9.9357 -9.9346 -9.9147 -9.9136 -5.1344 -5.1324 -5.1220 -5.1194 -4.8447 -4.8443 -4.8433 -4.8429 -3.5788 -3.5747 -3.5389 -3.5328 -3.1876 -3.1845 -3.1843 -3.1814 -2.9526 -2.9526 -2.9506 -2.9506 -1.8352 -1.8287 -1.6551 -1.6418 -0.2514 -0.2472 0.1848 0.1914 0.8786 0.9049 1.0108 1.0251 1.0483 1.0944 1.1749 1.1849 1.2551 1.2626 1.3468 1.3895 1.7931 1.8031 1.8076 1.8084 3.2304 3.2739 4.0057 4.0420 6.0718 6.0869 6.1729 6.1860 7.4961 7.5141 k =-0.0455 0.0302 0.0000 ( 11620 PWs) bands (ev): -11.6503 -11.6496 -11.6418 -11.6411 -9.9336 -9.9321 -9.9128 -9.9113 -5.1339 -5.1313 -5.1216 -5.1181 -4.8447 -4.8443 -4.8428 -4.8424 -3.5783 -3.5729 -3.5390 -3.5309 -3.1872 -3.1839 -3.1832 -3.1800 -2.9530 -2.9530 -2.9510 -2.9510 -1.8348 -1.8260 -1.6594 -1.6416 -0.2508 -0.2453 0.1765 0.1853 0.8639 0.8996 1.0022 1.0197 1.0282 1.0888 1.1611 1.1765 1.2473 1.2584 1.3367 1.3926 1.7785 1.7878 1.7930 1.7963 3.2456 3.3018 3.9996 4.0471 6.0963 6.1157 6.1914 6.2095 7.5054 7.5273 k =-0.0568 0.0378 0.0000 ( 11624 PWs) bands (ev): -11.6489 -11.6481 -11.6405 -11.6397 -9.9309 -9.9290 -9.9104 -9.9085 -5.1332 -5.1300 -5.1209 -5.1166 -4.8446 -4.8442 -4.8423 -4.8419 -3.5776 -3.5708 -3.5390 -3.5288 -3.1866 -3.1833 -3.1816 -3.1784 -2.9535 -2.9535 -2.9516 -2.9516 -1.8340 -1.8229 -1.6641 -1.6420 -0.2501 -0.2431 0.1662 0.1773 0.8462 0.8911 0.9916 1.0026 1.0147 1.0798 1.1443 1.1663 1.2378 1.2532 1.3256 1.3937 1.7610 1.7682 1.7752 1.7812 3.2665 3.3341 3.9934 4.0514 6.1279 6.1508 6.2147 6.2383 7.5182 7.5406 k =-0.0682 0.0454 0.0000 ( 11634 PWs) bands (ev): -11.6472 -11.6462 -11.6390 -11.6380 -9.9275 -9.9253 -9.9074 -9.9052 -5.1323 -5.1284 -5.1201 -5.1148 -4.8445 -4.8441 -4.8417 -4.8413 -3.5767 -3.5684 -3.5386 -3.5264 -3.1857 -3.1824 -3.1798 -3.1766 -2.9541 -2.9541 -2.9522 -2.9522 -1.8327 -1.8192 -1.6693 -1.6430 -0.2493 -0.2410 0.1539 0.1672 0.8259 0.8790 0.9779 0.9787 1.0047 1.0678 1.1253 1.1548 1.2270 1.2470 1.3131 1.3926 1.7406 1.7449 1.7553 1.7635 3.2924 3.3702 3.9870 4.0547 6.1657 6.1914 6.2420 6.2721 7.5344 7.5545 k =-0.0795 0.0529 0.0000 ( 11634 PWs) bands (ev): -11.6452 -11.6441 -11.6371 -11.6360 -9.9235 -9.9210 -9.9038 -9.9013 -5.1312 -5.1267 -5.1190 -5.1129 -4.8443 -4.8439 -4.8411 -4.8407 -3.5755 -3.5657 -3.5381 -3.5238 -3.1847 -3.1813 -3.1777 -3.1745 -2.9548 -2.9548 -2.9530 -2.9529 -1.8311 -1.8151 -1.6749 -1.6446 -0.2488 -0.2391 0.1396 0.1551 0.8033 0.8625 0.9525 0.9630 0.9923 1.0534 1.1045 1.1425 1.2151 1.2398 1.2993 1.3890 1.7169 1.7183 1.7345 1.7437 3.3227 3.4091 3.9801 4.0566 6.2090 6.2366 6.2726 6.3100 7.5537 7.5703 k =-0.0909 0.0605 0.0000 ( 11646 PWs) bands (ev): -11.6429 -11.6417 -11.6350 -11.6338 -9.9190 -9.9161 -9.8997 -9.8968 -5.1298 -5.1247 -5.1177 -5.1107 -4.8440 -4.8436 -4.8404 -4.8400 -3.5740 -3.5628 -3.5374 -3.5211 -3.1834 -3.1799 -3.1755 -3.1723 -2.9556 -2.9555 -2.9538 -2.9538 -1.8290 -1.8106 -1.6809 -1.6466 -0.2488 -0.2376 0.1235 0.1411 0.7789 0.8409 0.9280 0.9440 0.9770 1.0368 1.0830 1.1297 1.2023 1.2316 1.2841 1.3827 1.6890 1.6901 1.7137 1.7228 3.3563 3.4501 3.9725 4.0569 6.2566 6.2853 6.3051 6.3513 7.5762 7.5883 k =-0.1023 0.0681 0.0000 ( 11636 PWs) bands (ev): -11.6404 -11.6390 -11.6327 -11.6313 -9.9138 -9.9106 -9.8951 -9.8919 -5.1283 -5.1225 -5.1162 -5.1083 -4.8437 -4.8432 -4.8397 -4.8393 -3.5724 -3.5597 -3.5365 -3.5182 -3.1818 -3.1784 -3.1731 -3.1699 -2.9564 -2.9563 -2.9547 -2.9546 -1.8266 -1.8055 -1.6873 -1.6491 -0.2496 -0.2368 0.1056 0.1251 0.7532 0.8144 0.9051 0.9214 0.9581 1.0186 1.0615 1.1169 1.1887 1.2222 1.2677 1.3734 1.6575 1.6609 1.6932 1.7014 3.3925 3.4924 3.9641 4.0555 6.3073 6.3365 6.3386 6.3951 7.6015 7.6085 k =-0.1136 0.0756 0.0000 ( 11626 PWs) bands (ev): -11.6375 -11.6360 -11.6301 -11.6285 -9.9081 -9.9046 -9.8900 -9.8864 -5.1266 -5.1201 -5.1145 -5.1057 -4.8433 -4.8429 -4.8389 -4.8385 -3.5706 -3.5564 -3.5355 -3.5151 -3.1801 -3.1766 -3.1706 -3.1673 -2.9572 -2.9571 -2.9557 -2.9556 -1.8237 -1.7999 -1.6939 -1.6520 -0.2516 -0.2369 0.0861 0.1072 0.7270 0.7840 0.8832 0.8950 0.9353 0.9990 1.0412 1.1042 1.1744 1.2114 1.2501 1.3610 1.6245 1.6300 1.6731 1.6803 3.4304 3.5351 3.9545 4.0522 6.3595 6.3711 6.3891 6.4405 7.6295 7.6308 k =-0.1250 0.0832 0.0000 ( 11630 PWs) bands (ev): -11.6344 -11.6328 -11.6272 -11.6255 -9.9018 -9.8980 -9.8843 -9.8805 -5.1247 -5.1176 -5.1126 -5.1029 -4.8429 -4.8424 -4.8381 -4.8377 -3.5687 -3.5529 -3.5343 -3.5119 -3.1782 -3.1747 -3.1678 -3.1646 -2.9582 -2.9580 -2.9567 -2.9565 -1.8205 -1.7939 -1.7008 -1.6553 -0.2552 -0.2384 0.0652 0.0875 0.7007 0.7512 0.8615 0.8649 0.9082 0.9781 1.0227 1.0917 1.1596 1.1987 1.2318 1.3452 1.5904 1.5982 1.6538 1.6603 3.4692 3.5777 3.9435 4.0467 6.4014 6.4114 6.4418 6.4866 7.6550 7.6596 k =-0.1364 0.0907 0.0000 ( 11622 PWs) bands (ev): -11.6311 -11.6293 -11.6242 -11.6224 -9.8951 -9.8910 -9.8782 -9.8741 -5.1227 -5.1148 -5.1105 -5.1000 -4.8424 -4.8419 -4.8373 -4.8369 -3.5667 -3.5493 -3.5330 -3.5086 -3.1761 -3.1726 -3.1650 -3.1618 -2.9591 -2.9589 -2.9577 -2.9575 -1.8169 -1.7874 -1.7078 -1.6588 -0.2607 -0.2414 0.0430 0.0660 0.6750 0.7174 0.8314 0.8394 0.8771 0.9561 1.0063 1.0794 1.1443 1.1835 1.2137 1.3263 1.5558 1.5659 1.6354 1.6418 3.5079 3.6192 3.9310 4.0389 6.4278 6.4605 6.4934 6.5329 7.6809 7.6903 k =-0.1477 0.0983 0.0000 ( 11624 PWs) bands (ev): -11.6276 -11.6257 -11.6209 -11.6190 -9.8878 -9.8835 -9.8717 -9.8673 -5.1204 -5.1119 -5.1082 -5.0969 -4.8418 -4.8414 -4.8365 -4.8361 -3.5646 -3.5456 -3.5317 -3.5053 -3.1739 -3.1703 -3.1621 -3.1589 -2.9600 -2.9597 -2.9587 -2.9585 -1.8130 -1.7804 -1.7149 -1.6626 -0.2687 -0.2463 0.0197 0.0428 0.6506 0.6836 0.7950 0.8166 0.8424 0.9331 0.9918 1.0670 1.1285 1.1649 1.1965 1.3044 1.5213 1.5339 1.6180 1.6252 3.5458 3.6589 3.9167 4.0289 6.4488 6.5042 6.5429 6.5792 7.7082 7.7145 k =-0.1591 0.1059 0.0000 ( 11618 PWs) bands (ev): -11.6238 -11.6218 -11.6174 -11.6154 -9.8801 -9.8755 -9.8647 -9.8601 -5.1181 -5.1089 -5.1058 -5.0936 -4.8413 -4.8408 -4.8356 -4.8352 -3.5624 -3.5418 -3.5303 -3.5019 -3.1715 -3.1680 -3.1591 -3.1559 -2.9610 -2.9606 -2.9597 -2.9594 -1.8087 -1.7729 -1.7221 -1.6666 -0.2795 -0.2534 -0.0045 0.0181 0.6277 0.6507 0.7560 0.7932 0.8050 0.9092 0.9789 1.0540 1.1124 1.1430 1.1801 1.2803 1.4872 1.5025 1.6019 1.6107 3.5822 3.6961 3.9006 4.0165 6.4631 6.5399 6.5895 6.6248 7.7242 7.7361 k =-0.1705 0.1134 0.0000 ( 11624 PWs) bands (ev): -11.6199 -11.6178 -11.6138 -11.6117 -9.8720 -9.8672 -9.8574 -9.8525 -5.1155 -5.1057 -5.1033 -5.0903 -4.8407 -4.8402 -4.8348 -4.8344 -3.5603 -3.5381 -3.5288 -3.4986 -3.1691 -3.1655 -3.1560 -3.1528 -2.9619 -2.9614 -2.9606 -2.9603 -1.8041 -1.7651 -1.7293 -1.6706 -0.2932 -0.2629 -0.0297 -0.0080 0.6070 0.6191 0.7151 0.7655 0.7696 0.8845 0.9672 1.0398 1.0959 1.1185 1.1638 1.2548 1.4537 1.4723 1.5871 1.5982 3.6164 3.7301 3.8826 4.0020 6.4702 6.5662 6.6322 6.6688 7.7275 7.7631 k =-0.1818 0.1210 0.0000 ( 11636 PWs) bands (ev): -11.6158 -11.6137 -11.6100 -11.6079 -9.8636 -9.8585 -9.8496 -9.8446 -5.1129 -5.1024 -5.1006 -5.0868 -4.8400 -4.8396 -4.8339 -4.8335 -3.5582 -3.5343 -3.5274 -3.4952 -3.1665 -3.1629 -3.1529 -3.1498 -2.9628 -2.9622 -2.9615 -2.9612 -1.7992 -1.7568 -1.7363 -1.6746 -0.3101 -0.2748 -0.0558 -0.0355 0.5884 0.5890 0.6726 0.7248 0.7461 0.8595 0.9563 1.0238 1.0792 1.0923 1.1470 1.2291 1.4213 1.4438 1.5736 1.5876 3.6476 3.7600 3.8626 3.9855 6.4701 6.5828 6.6705 6.7098 7.7295 7.7873 k =-0.1932 0.1285 0.0000 ( 11644 PWs) bands (ev): -11.6116 -11.6094 -11.6061 -11.6039 -9.8547 -9.8495 -9.8416 -9.8364 -5.1101 -5.0990 -5.0979 -5.0832 -4.8394 -4.8389 -4.8331 -4.8327 -3.5561 -3.5306 -3.5261 -3.4920 -3.1638 -3.1602 -3.1498 -3.1467 -2.9636 -2.9629 -2.9623 -2.9620 -1.7941 -1.7483 -1.7432 -1.6786 -0.3299 -0.2893 -0.0830 -0.0640 0.5601 0.5717 0.6294 0.6835 0.7234 0.8344 0.9459 1.0051 1.0625 1.0650 1.1291 1.2044 1.3900 1.4172 1.5614 1.5786 3.6753 3.7850 3.8409 3.9675 6.4634 6.5899 6.7038 6.7465 7.7324 7.8068 k =-0.2045 0.1361 0.0000 ( 11656 PWs) bands (ev): -11.6073 -11.6050 -11.6021 -11.5998 -9.8456 -9.8403 -9.8333 -9.8279 -5.1071 -5.0955 -5.0950 -5.0796 -4.8387 -4.8382 -4.8322 -4.8319 -3.5541 -3.5270 -3.5248 -3.4889 -3.1611 -3.1575 -3.1467 -3.1436 -2.9643 -2.9636 -2.9630 -2.9628 -1.7888 -1.7498 -1.7395 -1.6823 -0.3524 -0.3063 -0.1114 -0.0936 0.5318 0.5554 0.5873 0.6426 0.7024 0.8095 0.9356 0.9832 1.0370 1.0456 1.1101 1.1816 1.3602 1.3929 1.5505 1.5709 3.6989 3.8040 3.8175 3.9488 6.4512 6.5889 6.7320 6.7777 7.7370 7.8204 k =-0.2159 0.1437 0.0000 ( 11650 PWs) bands (ev): -11.6029 -11.6005 -11.5980 -11.5956 -9.8363 -9.8308 -9.8247 -9.8192 -5.1041 -5.0921 -5.0919 -5.0759 -4.8380 -4.8375 -4.8314 -4.8311 -3.5521 -3.5236 -3.5236 -3.4859 -3.1584 -3.1548 -3.1437 -3.1406 -2.9650 -2.9641 -2.9636 -2.9634 -1.7833 -1.7561 -1.7307 -1.6856 -0.3772 -0.3254 -0.1411 -0.1240 0.5031 0.5289 0.5570 0.6029 0.6837 0.7853 0.9248 0.9579 1.0091 1.0286 1.0899 1.1614 1.3321 1.3710 1.5408 1.5645 3.7175 3.7930 3.8152 3.9308 6.4350 6.5811 6.7547 6.8030 7.7428 7.8278 k =-0.2273 0.1512 0.0000 ( 11658 PWs) bands (ev): -11.5984 -11.5960 -11.5938 -11.5914 -9.8267 -9.8211 -9.8158 -9.8102 -5.1010 -5.0890 -5.0883 -5.0722 -4.8373 -4.8368 -4.8306 -4.8303 -3.5503 -3.5226 -3.5203 -3.4832 -3.1556 -3.1520 -3.1407 -3.1377 -2.9655 -2.9646 -2.9641 -2.9640 -1.7776 -1.7620 -1.7220 -1.6883 -0.4039 -0.3465 -0.1723 -0.1551 0.4728 0.4876 0.5428 0.5653 0.6684 0.7623 0.9127 0.9296 0.9821 1.0113 1.0686 1.1441 1.3059 1.3517 1.5321 1.5589 3.7289 3.7694 3.8167 3.9156 6.4160 6.5682 6.7719 6.8219 7.7492 7.8298 k =-0.2386 0.1588 0.0000 ( 11646 PWs) bands (ev): -11.5938 -11.5914 -11.5896 -11.5871 -9.8169 -9.8113 -9.8068 -9.8012 -5.0978 -5.0860 -5.0846 -5.0685 -4.8365 -4.8361 -4.8298 -4.8295 -3.5486 -3.5217 -3.5172 -3.4807 -3.1529 -3.1493 -3.1378 -3.1349 -2.9659 -2.9649 -2.9644 -2.9644 -1.7719 -1.7675 -1.7142 -1.6898 -0.4318 -0.3693 -0.2048 -0.1867 0.4402 0.4434 0.5304 0.5325 0.6569 0.7411 0.8983 0.8989 0.9572 0.9934 1.0464 1.1293 1.2819 1.3349 1.5244 1.5540 3.7234 3.7567 3.8070 3.9044 6.3957 6.5519 6.7838 6.8345 7.7550 7.8269 k =-0.2500 0.1663 0.0000 ( 11628 PWs) bands (ev): -11.5892 -11.5868 -11.5853 -11.5829 -9.8071 -9.8013 -9.7977 -9.7920 -5.0945 -5.0829 -5.0809 -5.0648 -4.8358 -4.8354 -4.8290 -4.8287 -3.5470 -3.5210 -3.5144 -3.4784 -3.1501 -3.1466 -3.1350 -3.1322 -2.9662 -2.9650 -2.9647 -2.9645 -1.7725 -1.7660 -1.7084 -1.6889 -0.4605 -0.3932 -0.2386 -0.2185 0.3991 0.4051 0.4981 0.5226 0.6495 0.7224 0.8666 0.8799 0.9358 0.9749 1.0240 1.1166 1.2603 1.3204 1.5175 1.5498 3.6994 3.7564 3.7879 3.8958 6.3752 6.5336 6.7905 6.8408 7.7594 7.8200 k =-0.2614 0.1739 0.0000 ( 11632 PWs) bands (ev): -11.5847 -11.5823 -11.5810 -11.5786 -9.7971 -9.7914 -9.7885 -9.7827 -5.0912 -5.0797 -5.0772 -5.0611 -4.8351 -4.8346 -4.8283 -4.8280 -3.5455 -3.5204 -3.5119 -3.4765 -3.1475 -3.1439 -3.1324 -3.1296 -2.9663 -2.9650 -2.9649 -2.9645 -1.7769 -1.7602 -1.7061 -1.6842 -0.4894 -0.4181 -0.2735 -0.2505 0.3555 0.3684 0.4677 0.5116 0.6461 0.7069 0.8334 0.8574 0.9181 0.9558 1.0018 1.1056 1.2412 1.3081 1.5114 1.5460 3.6703 3.7555 3.7626 3.8870 6.3552 6.5144 6.7924 6.8413 7.7617 7.8097 k =-0.2727 0.1815 0.0000 ( 11636 PWs) bands (ev): -11.5801 -11.5777 -11.5767 -11.5743 -9.7872 -9.7814 -9.7792 -9.7735 -5.0878 -5.0766 -5.0736 -5.0575 -4.8343 -4.8339 -4.8276 -4.8274 -3.5441 -3.5201 -3.5096 -3.4749 -3.1449 -3.1413 -3.1299 -3.1273 -2.9663 -2.9649 -2.9649 -2.9643 -1.7807 -1.7545 -1.7060 -1.6772 -0.5181 -0.4436 -0.3091 -0.2823 0.3130 0.3311 0.4386 0.4987 0.6462 0.6951 0.8000 0.8320 0.9023 0.9361 0.9809 1.0956 1.2250 1.2978 1.5060 1.5425 3.6397 3.7337 3.7509 3.8759 6.3364 6.4952 6.7898 6.8365 7.7612 7.7967 k =-0.2841 0.1890 0.0000 ( 11638 PWs) bands (ev): -11.5756 -11.5733 -11.5725 -11.5701 -9.7773 -9.7716 -9.7699 -9.7642 -5.0844 -5.0735 -5.0700 -5.0541 -4.8336 -4.8332 -4.8269 -4.8267 -3.5429 -3.5199 -3.5077 -3.4737 -3.1424 -3.1388 -3.1276 -3.1250 -2.9661 -2.9648 -2.9646 -2.9639 -1.7838 -1.7488 -1.7065 -1.6694 -0.5462 -0.4694 -0.3452 -0.3137 0.2721 0.2940 0.4104 0.4832 0.6493 0.6871 0.7670 0.8052 0.8867 0.9160 0.9620 1.0863 1.2117 1.2892 1.5011 1.5392 3.6085 3.7026 3.7421 3.8615 6.3192 6.4766 6.7832 6.8269 7.7575 7.7815 k =-0.2955 0.1966 0.0000 ( 11664 PWs) bands (ev): -11.5712 -11.5689 -11.5684 -11.5660 -9.7674 -9.7618 -9.7607 -9.7551 -5.0810 -5.0704 -5.0664 -5.0507 -4.8329 -4.8325 -4.8263 -4.8261 -3.5418 -3.5199 -3.5062 -3.4729 -3.1399 -3.1364 -3.1255 -3.1230 -2.9657 -2.9645 -2.9640 -2.9634 -1.7862 -1.7433 -1.7071 -1.6618 -0.5733 -0.4952 -0.3814 -0.3444 0.2329 0.2579 0.3827 0.4650 0.6547 0.6820 0.7354 0.7780 0.8699 0.8955 0.9461 1.0774 1.2014 1.2822 1.4966 1.5361 3.5772 3.6702 3.7294 3.8436 6.3039 6.4590 6.7731 6.8132 7.7507 7.7646 k =-0.3068 0.2042 0.0000 ( 11648 PWs) bands (ev): -11.5668 -11.5646 -11.5643 -11.5620 -9.7577 -9.7522 -9.7516 -9.7461 -5.0775 -5.0673 -5.0630 -5.0475 -4.8321 -4.8317 -4.8258 -4.8256 -3.5408 -3.5201 -3.5050 -3.4725 -3.1376 -3.1342 -3.1236 -3.1212 -2.9652 -2.9640 -2.9634 -2.9626 -1.7880 -1.7380 -1.7074 -1.6546 -0.5991 -0.5210 -0.4173 -0.3743 0.1957 0.2234 0.3556 0.4446 0.6615 0.6771 0.7073 0.7511 0.8514 0.8750 0.9333 1.0687 1.1939 1.2767 1.4926 1.5330 3.5461 3.6373 3.7131 3.8224 6.2906 6.4425 6.7600 6.7962 7.7408 7.7466 k =-0.3182 0.2117 0.0000 ( 11634 PWs) bands (ev): -11.5626 -11.5604 -11.5603 -11.5580 -9.7483 -9.7428 -9.7426 -9.7372 -5.0741 -5.0643 -5.0597 -5.0444 -4.8314 -4.8310 -4.8253 -4.8251 -3.5399 -3.5204 -3.5041 -3.4724 -3.1354 -3.1320 -3.1219 -3.1195 -2.9644 -2.9634 -2.9625 -2.9617 -1.7890 -1.7329 -1.7074 -1.6482 -0.6233 -0.5465 -0.4527 -0.4031 0.1610 0.1908 0.3290 0.4224 0.6624 0.6687 0.6924 0.7252 0.8320 0.8546 0.9234 1.0601 1.1892 1.2724 1.4889 1.5298 3.5157 3.6044 3.6938 3.7982 6.2792 6.4272 6.7444 6.7765 7.7277 7.7283 k =-0.3295 0.2193 0.0000 ( 11630 PWs) bands (ev): -11.5585 -11.5564 -11.5564 -11.5542 -9.7390 -9.7338 -9.7338 -9.7286 -5.0707 -5.0613 -5.0565 -5.0415 -4.8307 -4.8304 -4.8248 -4.8246 -3.5390 -3.5209 -3.5037 -3.4728 -3.1334 -3.1300 -3.1204 -3.1181 -2.9635 -2.9626 -2.9615 -2.9607 -1.7892 -1.7280 -1.7070 -1.6427 -0.6458 -0.5717 -0.4872 -0.4306 0.1288 0.1605 0.3030 0.3988 0.6372 0.6739 0.6908 0.7021 0.8123 0.8348 0.9159 1.0516 1.1870 1.2693 1.4854 1.5266 3.4861 3.5717 3.6719 3.7713 6.2697 6.4130 6.7268 6.7547 7.7085 7.7136 k =-0.3409 0.2268 0.0000 ( 11638 PWs) bands (ev): -11.5546 -11.5527 -11.5525 -11.5506 -9.7300 -9.7253 -9.7250 -9.7203 -5.0673 -5.0585 -5.0534 -5.0389 -4.8300 -4.8297 -4.8244 -4.8242 -3.5382 -3.5214 -3.5036 -3.4736 -3.1314 -3.1281 -3.1191 -3.1169 -2.9625 -2.9617 -2.9604 -2.9595 -1.7887 -1.7234 -1.7064 -1.6384 -0.6664 -0.5965 -0.5204 -0.4566 0.0995 0.1327 0.2776 0.3744 0.6109 0.6662 0.6919 0.6923 0.7936 0.8158 0.9103 1.0433 1.1871 1.2673 1.4821 1.5233 3.4577 3.5397 3.6481 3.7424 6.2620 6.3999 6.7078 6.7316 7.6893 7.6975 k =-0.3523 0.2344 0.0000 ( 11638 PWs) bands (ev): -11.5508 -11.5491 -11.5489 -11.5471 -9.7214 -9.7171 -9.7166 -9.7123 -5.0640 -5.0557 -5.0506 -5.0364 -4.8294 -4.8290 -4.8240 -4.8238 -3.5374 -3.5219 -3.5039 -3.4748 -3.1296 -3.1264 -3.1180 -3.1159 -2.9613 -2.9606 -2.9591 -2.9582 -1.7874 -1.7191 -1.7055 -1.6354 -0.6851 -0.6207 -0.5519 -0.4812 0.0732 0.1076 0.2529 0.3493 0.5857 0.6454 0.6935 0.6939 0.7775 0.7982 0.9063 1.0351 1.1891 1.2662 1.4789 1.5198 3.4308 3.5088 3.6228 3.7119 6.2559 6.3877 6.6879 6.7076 7.6704 7.6805 k =-0.3636 0.2420 0.0000 ( 11642 PWs) bands (ev): -11.5472 -11.5457 -11.5454 -11.5438 -9.7132 -9.7092 -9.7086 -9.7046 -5.0607 -5.0530 -5.0479 -5.0342 -4.8287 -4.8284 -4.8237 -4.8234 -3.5366 -3.5225 -3.5045 -3.4763 -3.1279 -3.1249 -3.1171 -3.1150 -2.9600 -2.9594 -2.9578 -2.9569 -1.7854 -1.7150 -1.7043 -1.6336 -0.7019 -0.6442 -0.5813 -0.5043 0.0500 0.0855 0.2290 0.3240 0.5623 0.6233 0.6931 0.6943 0.7657 0.7828 0.9038 1.0272 1.1928 1.2660 1.4759 1.5161 3.4057 3.4791 3.5968 3.6805 6.2512 6.3763 6.6674 6.6834 7.6521 7.6630 k =-0.3750 0.2495 0.0000 ( 11646 PWs) bands (ev): -11.5439 -11.5425 -11.5421 -11.5408 -9.7054 -9.7018 -9.7011 -9.6975 -5.0576 -5.0504 -5.0455 -5.0323 -4.8281 -4.8278 -4.8234 -4.8231 -3.5358 -3.5230 -3.5054 -3.4782 -3.1264 -3.1235 -3.1163 -3.1144 -2.9586 -2.9580 -2.9564 -2.9554 -1.7827 -1.7111 -1.7031 -1.6332 -0.7170 -0.6668 -0.6084 -0.5259 0.0302 0.0664 0.2058 0.2986 0.5409 0.6018 0.6876 0.6922 0.7598 0.7706 0.9027 1.0195 1.1979 1.2666 1.4730 1.5121 3.3825 3.4510 3.5705 3.6486 6.2479 6.3655 6.6470 6.6594 7.6345 7.6457 k =-0.3864 0.2571 0.0000 ( 11620 PWs) bands (ev): -11.5407 -11.5395 -11.5391 -11.5379 -9.6981 -9.6947 -9.6941 -9.6907 -5.0545 -5.0479 -5.0433 -5.0306 -4.8275 -4.8272 -4.8232 -4.8229 -3.5349 -3.5233 -3.5066 -3.4804 -3.1249 -3.1222 -3.1157 -3.1139 -2.9572 -2.9566 -2.9549 -2.9540 -1.7792 -1.7075 -1.7018 -1.6342 -0.7307 -0.6884 -0.6325 -0.5461 0.0136 0.0504 0.1835 0.2733 0.5216 0.5814 0.6774 0.6868 0.7589 0.7624 0.9029 1.0120 1.2042 1.2678 1.4703 1.5079 3.3614 3.4247 3.5444 3.6167 6.2457 6.3554 6.6269 6.6361 7.6180 7.6289 k =-0.3977 0.2646 0.0000 ( 11620 PWs) bands (ev): -11.5378 -11.5367 -11.5364 -11.5353 -9.6914 -9.6882 -9.6877 -9.6845 -5.0516 -5.0455 -5.0413 -5.0292 -4.8269 -4.8267 -4.8230 -4.8227 -3.5341 -3.5235 -3.5081 -3.4828 -3.1236 -3.1211 -3.1153 -3.1136 -2.9557 -2.9552 -2.9535 -2.9526 -1.7751 -1.7041 -1.7006 -1.6364 -0.7432 -0.7088 -0.6531 -0.5650 0.0005 0.0376 0.1620 0.2483 0.5044 0.5621 0.6648 0.6782 0.7581 0.7605 0.9044 1.0049 1.2114 1.2695 1.4676 1.5035 3.3427 3.4004 3.5192 3.5855 6.2447 6.3457 6.6075 6.6140 7.6026 7.6129 k =-0.4091 0.2722 0.0000 ( 11622 PWs) bands (ev): -11.5352 -11.5342 -11.5339 -11.5329 -9.6852 -9.6822 -9.6818 -9.6789 -5.0489 -5.0432 -5.0396 -5.0281 -4.8264 -4.8261 -4.8229 -4.8225 -3.5332 -3.5235 -3.5097 -3.4856 -3.1224 -3.1201 -3.1150 -3.1134 -2.9542 -2.9537 -2.9521 -2.9512 -1.7704 -1.7009 -1.6997 -1.6398 -0.7550 -0.7278 -0.6699 -0.5827 -0.0094 0.0280 0.1414 0.2238 0.4896 0.5441 0.6519 0.6675 0.7566 0.7629 0.9069 0.9979 1.2191 1.2716 1.4652 1.4989 3.3264 3.3782 3.4954 3.5553 6.2446 6.3365 6.5892 6.5933 7.5885 7.5979 k =-0.4205 0.2798 0.0000 ( 11612 PWs) bands (ev): -11.5328 -11.5319 -11.5316 -11.5308 -9.6796 -9.6768 -9.6766 -9.6738 -5.0463 -5.0411 -5.0381 -5.0273 -4.8259 -4.8256 -4.8228 -4.8224 -3.5323 -3.5231 -3.5115 -3.4885 -3.1213 -3.1192 -3.1148 -3.1134 -2.9528 -2.9523 -2.9508 -2.9500 -1.7650 -1.6990 -1.6979 -1.6442 -0.7663 -0.7452 -0.6826 -0.5991 -0.0162 0.0216 0.1219 0.1999 0.4770 0.5275 0.6396 0.6559 0.7569 0.7651 0.9105 0.9912 1.2273 1.2738 1.4631 1.4941 3.3126 3.3583 3.4733 3.5267 6.2455 6.3275 6.5723 6.5744 7.5759 7.5843 k =-0.4318 0.2873 0.0000 ( 11626 PWs) bands (ev): -11.5307 -11.5299 -11.5297 -11.5289 -9.6746 -9.6721 -9.6720 -9.6694 -5.0439 -5.0390 -5.0369 -5.0268 -4.8254 -4.8251 -4.8227 -4.8224 -3.5314 -3.5223 -3.5134 -3.4915 -3.1203 -3.1185 -3.1147 -3.1134 -2.9514 -2.9509 -2.9496 -2.9488 -1.7591 -1.6988 -1.6950 -1.6493 -0.7771 -0.7609 -0.6913 -0.6145 -0.0199 0.0182 0.1033 0.1767 0.4667 0.5121 0.6285 0.6444 0.7581 0.7669 0.9148 0.9847 1.2355 1.2759 1.4613 1.4892 3.3014 3.3407 3.4535 3.5000 6.2473 6.3189 6.5569 6.5576 7.5648 7.5721 k =-0.4432 0.2949 0.0000 ( 11630 PWs) bands (ev): -11.5289 -11.5282 -11.5281 -11.5273 -9.6704 -9.6682 -9.6679 -9.6657 -5.0418 -5.0371 -5.0360 -5.0265 -4.8249 -4.8247 -4.8227 -4.8224 -3.5304 -3.5212 -3.5154 -3.4947 -3.1194 -3.1178 -3.1148 -3.1136 -2.9501 -2.9497 -2.9485 -2.9478 -1.7528 -1.6993 -1.6922 -1.6549 -0.7870 -0.7746 -0.6963 -0.6288 -0.0207 0.0178 0.0860 0.1545 0.4588 0.4982 0.6191 0.6337 0.7596 0.7681 0.9197 0.9783 1.2436 1.2777 1.4600 1.4843 3.2927 3.3256 3.4364 3.4758 6.2499 6.3106 6.5431 6.5435 7.5554 7.5615 k =-0.4545 0.3024 0.0000 ( 11632 PWs) bands (ev): -11.5274 -11.5268 -11.5267 -11.5261 -9.6668 -9.6650 -9.6644 -9.6626 -5.0400 -5.0353 -5.0352 -5.0265 -4.8245 -4.8243 -4.8228 -4.8224 -3.5295 -3.5197 -3.5173 -3.4979 -3.1185 -3.1172 -3.1148 -3.1138 -2.9489 -2.9486 -2.9476 -2.9471 -1.7460 -1.7006 -1.6895 -1.6606 -0.7956 -0.7862 -0.6981 -0.6419 -0.0190 0.0198 0.0702 0.1334 0.4533 0.4859 0.6115 0.6240 0.7613 0.7688 0.9250 0.9721 1.2513 1.2789 1.4593 1.4796 3.2865 3.3128 3.4225 3.4544 6.2532 6.3026 6.5311 6.5321 7.5476 7.5525 k =-0.4659 0.3100 0.0000 ( 11630 PWs) bands (ev): -11.5262 -11.5257 -11.5256 -11.5251 -9.6639 -9.6626 -9.6616 -9.6603 -5.0384 -5.0349 -5.0335 -5.0268 -4.8242 -4.8239 -4.8229 -4.8225 -3.5284 -3.5193 -3.5177 -3.5011 -3.1178 -3.1167 -3.1150 -3.1141 -2.9480 -2.9476 -2.9470 -2.9465 -1.7390 -1.7031 -1.6869 -1.6661 -0.8024 -0.7956 -0.6972 -0.6539 -0.0149 0.0232 0.0569 0.1135 0.4500 0.4751 0.6060 0.6158 0.7629 0.7689 0.9306 0.9660 1.2585 1.2794 1.4592 1.4750 3.2827 3.3024 3.4120 3.4363 6.2574 6.2948 6.5217 6.5229 7.5417 7.5454 k =-0.4773 0.3176 0.0000 ( 11630 PWs) bands (ev): -11.5253 -11.5250 -11.5248 -11.5244 -9.6618 -9.6609 -9.6595 -9.6587 -5.0371 -5.0348 -5.0319 -5.0274 -4.8239 -4.8236 -4.8230 -4.8226 -3.5273 -3.5211 -3.5155 -3.5043 -3.1171 -3.1162 -3.1152 -3.1145 -2.9472 -2.9469 -2.9465 -2.9461 -1.7318 -1.7069 -1.6843 -1.6709 -0.8072 -0.8028 -0.6942 -0.6648 -0.0087 0.0242 0.0498 0.0953 0.4490 0.4660 0.6025 0.6093 0.7645 0.7686 0.9364 0.9600 1.2647 1.2788 1.4600 1.4708 3.2810 3.2941 3.4054 3.4218 6.2622 6.2874 6.5151 6.5161 7.5376 7.5401 k =-0.4886 0.3251 0.0000 ( 11614 PWs) bands (ev): -11.5248 -11.5246 -11.5242 -11.5240 -9.6604 -9.6600 -9.6582 -9.6578 -5.0361 -5.0349 -5.0305 -5.0282 -4.8236 -4.8233 -4.8231 -4.8228 -3.5260 -3.5229 -3.5130 -3.5073 -3.1165 -3.1158 -3.1155 -3.1149 -2.9466 -2.9464 -2.9463 -2.9460 -1.7247 -1.7119 -1.6815 -1.6751 -0.8097 -0.8075 -0.6892 -0.6743 -0.0008 0.0180 0.0538 0.0788 0.4502 0.4588 0.6011 0.6046 0.7659 0.7680 0.9422 0.9540 1.2700 1.2771 1.4616 1.4670 3.2814 3.2879 3.4030 3.4113 6.2677 6.2803 6.5113 6.5118 7.5354 7.5366 k =-0.5000 0.3327 0.0000 ( 11606 PWs) bands (ev): -11.5245 -11.5245 -11.5240 -11.5240 -9.6598 -9.6598 -9.6576 -9.6576 -5.0354 -5.0354 -5.0292 -5.0292 -4.8233 -4.8233 -4.8230 -4.8230 -3.5245 -3.5245 -3.5103 -3.5103 -3.1159 -3.1159 -3.1153 -3.1153 -2.9463 -2.9463 -2.9461 -2.9461 -1.7179 -1.7179 -1.6785 -1.6785 -0.8098 -0.8098 -0.6825 -0.6825 0.0085 0.0085 0.0646 0.0646 0.4535 0.4535 0.6018 0.6018 0.7671 0.7671 0.9481 0.9481 1.2742 1.2742 1.4639 1.4639 3.2837 3.2837 3.4050 3.4050 6.2738 6.2738 6.5102 6.5102 7.5351 7.5351 k =-0.5000 0.3327 0.0000 ( 11606 PWs) bands (ev): -11.5245 -11.5245 -11.5240 -11.5240 -9.6598 -9.6598 -9.6576 -9.6576 -5.0354 -5.0354 -5.0292 -5.0292 -4.8233 -4.8233 -4.8230 -4.8230 -3.5245 -3.5245 -3.5103 -3.5103 -3.1159 -3.1159 -3.1153 -3.1153 -2.9463 -2.9463 -2.9461 -2.9461 -1.7179 -1.7179 -1.6785 -1.6785 -0.8098 -0.8098 -0.6825 -0.6825 0.0085 0.0085 0.0646 0.0646 0.4535 0.4535 0.6018 0.6018 0.7671 0.7671 0.9481 0.9481 1.2742 1.2742 1.4639 1.4639 3.2837 3.2837 3.4050 3.4050 6.2738 6.2738 6.5102 6.5102 7.5351 7.5351 k =-0.4927 0.3437-0.0000 ( 11606 PWs) bands (ev): -11.5246 -11.5245 -11.5240 -11.5240 -9.6599 -9.6598 -9.6577 -9.6576 -5.0358 -5.0350 -5.0297 -5.0288 -4.8236 -4.8234 -4.8229 -4.8228 -3.5251 -3.5238 -3.5111 -3.5093 -3.1163 -3.1160 -3.1154 -3.1150 -2.9471 -2.9467 -2.9455 -2.9454 -1.7193 -1.7164 -1.6790 -1.6773 -0.8098 -0.8086 -0.6851 -0.6791 0.0083 0.0094 0.0640 0.0650 0.4490 0.4560 0.5929 0.6007 0.7670 0.7741 0.9463 0.9491 1.2688 1.2800 1.4598 1.4652 3.2843 3.2846 3.4033 3.4091 6.2736 6.2796 6.5078 6.5166 7.5314 7.5350 k =-0.4853 0.3547-0.0000 ( 11610 PWs) bands (ev): -11.5247 -11.5246 -11.5241 -11.5240 -9.6601 -9.6599 -9.6579 -9.6577 -5.0364 -5.0348 -5.0304 -5.0286 -4.8238 -4.8236 -4.8225 -4.8224 -3.5257 -3.5232 -3.5119 -3.5083 -3.1168 -3.1165 -3.1152 -3.1147 -2.9478 -2.9473 -2.9448 -2.9447 -1.7205 -1.7147 -1.6786 -1.6755 -0.8086 -0.8061 -0.6871 -0.6750 0.0088 0.0110 0.0632 0.0652 0.4428 0.4565 0.5755 0.5903 0.7725 0.7871 0.9436 0.9494 1.2638 1.2863 1.4528 1.4637 3.2864 3.2870 3.4040 3.4156 6.2789 6.2909 6.5091 6.5268 7.5243 7.5312 k =-0.4780 0.3658-0.0000 ( 11612 PWs) bands (ev): -11.5248 -11.5247 -11.5242 -11.5241 -9.6604 -9.6601 -9.6582 -9.6578 -5.0370 -5.0346 -5.0311 -5.0284 -4.8239 -4.8237 -4.8220 -4.8220 -3.5262 -3.5226 -3.5125 -3.5072 -3.1173 -3.1171 -3.1150 -3.1145 -2.9484 -2.9478 -2.9440 -2.9440 -1.7213 -1.7130 -1.6775 -1.6730 -0.8062 -0.8025 -0.6884 -0.6703 0.0100 0.0132 0.0623 0.0650 0.4348 0.4551 0.5525 0.5731 0.7811 0.8035 0.9398 0.9491 1.2594 1.2930 1.4432 1.4593 3.2901 3.2909 3.4071 3.4242 6.2897 6.3078 6.5140 6.5409 7.5140 7.5238 k =-0.4707 0.3768-0.0000 ( 11606 PWs) bands (ev): -11.5250 -11.5249 -11.5244 -11.5242 -9.6609 -9.6604 -9.6585 -9.6580 -5.0377 -5.0346 -5.0319 -5.0283 -4.8240 -4.8238 -4.8215 -4.8215 -3.5267 -3.5221 -3.5128 -3.5061 -3.1179 -3.1178 -3.1148 -3.1143 -2.9490 -2.9483 -2.9433 -2.9432 -1.7218 -1.7113 -1.6754 -1.6700 -0.8026 -0.7976 -0.6890 -0.6648 0.0118 0.0160 0.0616 0.0646 0.4254 0.4515 0.5263 0.5514 0.7910 0.8208 0.9348 0.9484 1.2557 1.3002 1.4311 1.4521 3.2953 3.2961 3.4126 3.4349 6.3055 6.3300 6.5220 6.5586 7.5012 7.5130 k =-0.4633 0.3878-0.0000 ( 11606 PWs) bands (ev): -11.5253 -11.5251 -11.5246 -11.5244 -9.6614 -9.6608 -9.6589 -9.6584 -5.0385 -5.0348 -5.0327 -5.0284 -4.8241 -4.8238 -4.8210 -4.8210 -3.5271 -3.5219 -3.5129 -3.5049 -3.1185 -3.1185 -3.1147 -3.1142 -2.9496 -2.9487 -2.9425 -2.9424 -1.7220 -1.7096 -1.6726 -1.6664 -0.7978 -0.7915 -0.6889 -0.6587 0.0141 0.0190 0.0610 0.0638 0.4146 0.4455 0.4990 0.5267 0.8010 0.8375 0.9284 0.9475 1.2526 1.3078 1.4167 1.4423 3.3019 3.3027 3.4202 3.4475 6.3261 6.3572 6.5327 6.5794 7.4864 7.4992 k =-0.4560 0.3988-0.0000 ( 11598 PWs) bands (ev): -11.5256 -11.5254 -11.5248 -11.5246 -9.6620 -9.6614 -9.6594 -9.6588 -5.0394 -5.0351 -5.0335 -5.0286 -4.8240 -4.8237 -4.8205 -4.8204 -3.5274 -3.5218 -3.5126 -3.5038 -3.1194 -3.1192 -3.1147 -3.1142 -2.9501 -2.9491 -2.9417 -2.9416 -1.7218 -1.7079 -1.6690 -1.6625 -0.7918 -0.7843 -0.6882 -0.6520 0.0167 0.0221 0.0611 0.0629 0.4026 0.4358 0.4731 0.5002 0.8105 0.8520 0.9205 0.9468 1.2504 1.3158 1.4003 1.4300 3.3100 3.3107 3.4299 3.4618 6.3510 6.3891 6.5454 6.6030 7.4702 7.4828 k =-0.4487 0.4098-0.0000 ( 11600 PWs) bands (ev): -11.5260 -11.5258 -11.5251 -11.5249 -9.6627 -9.6621 -9.6600 -9.6594 -5.0404 -5.0359 -5.0341 -5.0289 -4.8240 -4.8236 -4.8199 -4.8198 -3.5276 -3.5219 -3.5120 -3.5026 -3.1203 -3.1200 -3.1147 -3.1142 -2.9505 -2.9494 -2.9409 -2.9408 -1.7212 -1.7062 -1.6647 -1.6581 -0.7847 -0.7759 -0.6869 -0.6446 0.0195 0.0249 0.0618 0.0619 0.3897 0.4192 0.4528 0.4728 0.8193 0.8633 0.9110 0.9468 1.2491 1.3238 1.3820 1.4154 3.3195 3.3199 3.4413 3.4775 6.3796 6.4251 6.5595 6.6287 7.4533 7.4642 k =-0.4413 0.4209-0.0000 ( 11606 PWs) bands (ev): -11.5264 -11.5262 -11.5255 -11.5253 -9.6636 -9.6629 -9.6608 -9.6601 -5.0414 -5.0370 -5.0346 -5.0293 -4.8238 -4.8235 -4.8193 -4.8191 -3.5278 -3.5223 -3.5112 -3.5015 -3.1212 -3.1208 -3.1149 -3.1144 -2.9508 -2.9496 -2.9401 -2.9400 -1.7203 -1.7045 -1.6599 -1.6533 -0.7764 -0.7664 -0.6850 -0.6367 0.0222 0.0270 0.0607 0.0639 0.3759 0.3957 0.4392 0.4454 0.8272 0.8702 0.9003 0.9484 1.2487 1.3310 1.3630 1.3986 3.3302 3.3303 3.4544 3.4946 6.4111 6.4648 6.5742 6.6560 7.4359 7.4438 k =-0.4340 0.4319-0.0000 ( 11600 PWs) bands (ev): -11.5269 -11.5267 -11.5259 -11.5257 -9.6646 -9.6638 -9.6616 -9.6609 -5.0426 -5.0382 -5.0351 -5.0299 -4.8237 -4.8233 -4.8187 -4.8184 -3.5279 -3.5227 -3.5102 -3.5005 -3.1223 -3.1217 -3.1150 -3.1146 -2.9511 -2.9498 -2.9394 -2.9393 -1.7191 -1.7027 -1.6546 -1.6483 -0.7671 -0.7558 -0.6825 -0.6282 0.0245 0.0284 0.0597 0.0672 0.3609 0.3694 0.4189 0.4287 0.8340 0.8725 0.8885 0.9519 1.2491 1.3310 1.3497 1.3801 3.3419 3.3421 3.4689 3.5126 6.4446 6.5072 6.5888 6.6841 7.4127 7.4220 k =-0.4267 0.4429-0.0000 ( 11584 PWs) bands (ev): -11.5274 -11.5272 -11.5263 -11.5261 -9.6657 -9.6649 -9.6625 -9.6618 -5.0438 -5.0396 -5.0356 -5.0305 -4.8234 -4.8230 -4.8181 -4.8178 -3.5280 -3.5233 -3.5090 -3.4994 -3.1234 -3.1227 -3.1153 -3.1149 -2.9512 -2.9498 -2.9386 -2.9386 -1.7175 -1.7007 -1.6490 -1.6430 -0.7567 -0.7441 -0.6794 -0.6193 0.0261 0.0292 0.0592 0.0715 0.3432 0.3442 0.3947 0.4193 0.8389 0.8703 0.8767 0.9572 1.2501 1.3128 1.3533 1.3600 3.3545 3.3551 3.4846 3.5316 6.4790 6.5508 6.6033 6.7122 7.3647 7.3992 k =-0.4193 0.4539-0.0000 ( 11588 PWs) bands (ev): -11.5280 -11.5279 -11.5269 -11.5267 -9.6669 -9.6662 -9.6636 -9.6629 -5.0450 -5.0412 -5.0362 -5.0313 -4.8232 -4.8227 -4.8174 -4.8171 -3.5279 -3.5239 -3.5077 -3.4984 -3.1246 -3.1237 -3.1156 -3.1153 -2.9513 -2.9499 -2.9380 -2.9379 -1.7157 -1.6987 -1.6432 -1.6376 -0.7453 -0.7315 -0.6758 -0.6100 0.0265 0.0295 0.0593 0.0766 0.3182 0.3250 0.3742 0.4106 0.8392 0.8647 0.8681 0.9635 1.2513 1.2893 1.3389 1.3605 3.3681 3.3690 3.5012 3.5512 6.5128 6.5905 6.6212 6.7395 7.3117 7.3757 k =-0.4120 0.4649-0.0000 ( 11576 PWs) bands (ev): -11.5287 -11.5286 -11.5275 -11.5273 -9.6683 -9.6676 -9.6649 -9.6641 -5.0464 -5.0428 -5.0369 -5.0322 -4.8229 -4.8224 -4.8168 -4.8164 -3.5279 -3.5245 -3.5064 -3.4975 -3.1258 -3.1248 -3.1161 -3.1157 -2.9513 -2.9498 -2.9374 -2.9372 -1.7137 -1.6966 -1.6373 -1.6320 -0.7329 -0.7179 -0.6715 -0.6002 0.0258 0.0297 0.0602 0.0820 0.2949 0.3032 0.3583 0.4025 0.8311 0.8567 0.8669 0.9702 1.2519 1.2643 1.3176 1.3680 3.3826 3.3836 3.5186 3.5714 6.5446 6.6109 6.6560 6.7652 7.2623 7.3524 k =-0.4047 0.4759-0.0000 ( 11586 PWs) bands (ev): -11.5295 -11.5293 -11.5281 -11.5280 -9.6699 -9.6691 -9.6663 -9.6655 -5.0479 -5.0445 -5.0377 -5.0332 -4.8225 -4.8220 -4.8161 -4.8157 -3.5278 -3.5252 -3.5051 -3.4967 -3.1271 -3.1259 -3.1165 -3.1163 -2.9511 -2.9497 -2.9368 -2.9365 -1.7115 -1.6944 -1.6314 -1.6264 -0.7196 -0.7035 -0.6666 -0.5901 0.0239 0.0299 0.0618 0.0875 0.2736 0.2800 0.3464 0.3954 0.8175 0.8472 0.8706 0.9769 1.2384 1.2495 1.2983 1.3749 3.3978 3.3990 3.5365 3.5919 6.5725 6.6181 6.6999 6.7882 7.2192 7.3301 k =-0.3973 0.4870-0.0000 ( 11582 PWs) bands (ev): -11.5303 -11.5302 -11.5289 -11.5287 -9.6716 -9.6709 -9.6678 -9.6671 -5.0494 -5.0463 -5.0385 -5.0344 -4.8222 -4.8217 -4.8155 -4.8150 -3.5277 -3.5259 -3.5037 -3.4960 -3.1285 -3.1271 -3.1171 -3.1169 -2.9509 -2.9495 -2.9363 -2.9359 -1.7092 -1.6921 -1.6256 -1.6208 -0.7053 -0.6886 -0.6607 -0.5798 0.0212 0.0305 0.0639 0.0928 0.2546 0.2566 0.3377 0.3892 0.8020 0.8368 0.8760 0.9835 1.2118 1.2397 1.2854 1.3812 3.4137 3.4149 3.5548 3.6126 6.5948 6.6198 6.7434 6.8068 7.1851 7.3102 k =-0.3900 0.4980-0.0000 ( 11584 PWs) bands (ev): -11.5312 -11.5311 -11.5297 -11.5296 -9.6735 -9.6728 -9.6696 -9.6689 -5.0509 -5.0482 -5.0395 -5.0356 -4.8218 -4.8213 -4.8149 -4.8143 -3.5275 -3.5266 -3.5023 -3.4953 -3.1300 -3.1283 -3.1177 -3.1175 -2.9505 -2.9492 -2.9359 -2.9354 -1.7069 -1.6898 -1.6200 -1.6153 -0.6903 -0.6738 -0.6533 -0.5691 0.0181 0.0315 0.0665 0.0977 0.2341 0.2378 0.3317 0.3841 0.7863 0.8262 0.8820 0.9899 1.1849 1.2209 1.2806 1.3867 3.4302 3.4312 3.5734 3.6334 6.6103 6.6174 6.7833 6.8193 7.1627 7.2945 k =-0.3827 0.5090-0.0000 ( 11590 PWs) bands (ev): -11.5322 -11.5321 -11.5306 -11.5305 -9.6756 -9.6749 -9.6715 -9.6709 -5.0526 -5.0501 -5.0405 -5.0369 -4.8214 -4.8209 -4.8143 -4.8136 -3.5274 -3.5274 -3.5010 -3.4948 -3.1315 -3.1297 -3.1184 -3.1183 -2.9501 -2.9489 -2.9355 -2.9349 -1.7046 -1.6875 -1.6147 -1.6100 -0.6744 -0.6606 -0.6430 -0.5583 0.0148 0.0328 0.0696 0.1022 0.2132 0.2232 0.3282 0.3801 0.7711 0.8158 0.8883 0.9960 1.1578 1.1971 1.2799 1.3913 3.4472 3.4478 3.5921 3.6541 6.6113 6.6181 6.8172 6.8240 7.1536 7.2849 k =-0.3753 0.5200-0.0000 ( 11564 PWs) bands (ev): -11.5333 -11.5332 -11.5316 -11.5316 -9.6778 -9.6772 -9.6736 -9.6730 -5.0543 -5.0521 -5.0417 -5.0384 -4.8211 -4.8205 -4.8137 -4.8130 -3.5281 -3.5272 -3.4997 -3.4944 -3.1330 -3.1310 -3.1191 -3.1191 -2.9495 -2.9485 -2.9352 -2.9345 -1.7023 -1.6852 -1.6098 -1.6048 -0.6578 -0.6501 -0.6285 -0.5472 0.0117 0.0345 0.0733 0.1062 0.1947 0.2108 0.3267 0.3771 0.7570 0.8061 0.8946 1.0019 1.1308 1.1714 1.2804 1.3949 3.4645 3.4646 3.6107 3.6748 6.6023 6.6184 6.8210 6.8430 7.1575 7.2831 k =-0.3680 0.5310-0.0000 ( 11572 PWs) bands (ev): -11.5344 -11.5344 -11.5327 -11.5327 -9.6803 -9.6798 -9.6759 -9.6754 -5.0561 -5.0542 -5.0429 -5.0399 -4.8207 -4.8201 -4.8131 -4.8124 -3.5289 -3.5270 -3.4984 -3.4941 -3.1347 -3.1324 -3.1199 -3.1199 -2.9488 -2.9480 -2.9350 -2.9342 -1.7002 -1.6830 -1.6055 -1.6000 -0.6411 -0.6405 -0.6112 -0.5359 0.0093 0.0362 0.0777 0.1099 0.1792 0.2005 0.3271 0.3748 0.7445 0.7975 0.9009 1.0072 1.1043 1.1452 1.2808 1.3975 3.4815 3.4821 3.6292 3.6951 6.5910 6.6117 6.8124 6.8595 7.1712 7.2899 k =-0.3607 0.5421-0.0000 ( 11578 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6830 -9.6826 -9.6785 -9.6781 -5.0579 -5.0563 -5.0442 -5.0416 -4.8204 -4.8197 -4.8126 -4.8118 -3.5298 -3.5269 -3.4972 -3.4939 -3.1363 -3.1339 -3.1208 -3.1208 -2.9481 -2.9474 -2.9348 -2.9339 -1.6984 -1.6808 -1.6017 -1.5956 -0.6323 -0.6226 -0.5923 -0.5243 0.0077 0.0375 0.0828 0.1136 0.1674 0.1923 0.3290 0.3729 0.7340 0.7903 0.9069 1.0115 1.0787 1.1196 1.2808 1.3990 3.4984 3.5000 3.6475 3.7152 6.5781 6.5995 6.8007 6.8668 7.1902 7.3045 k =-0.3607 0.5421-0.0000 ( 11578 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6830 -9.6826 -9.6785 -9.6781 -5.0579 -5.0563 -5.0442 -5.0416 -4.8204 -4.8197 -4.8126 -4.8118 -3.5298 -3.5269 -3.4972 -3.4939 -3.1363 -3.1339 -3.1208 -3.1208 -2.9481 -2.9474 -2.9348 -2.9339 -1.6984 -1.6808 -1.6017 -1.5956 -0.6323 -0.6226 -0.5923 -0.5243 0.0077 0.0375 0.0828 0.1136 0.1674 0.1923 0.3290 0.3729 0.7340 0.7903 0.9069 1.0115 1.0787 1.1196 1.2808 1.3990 3.4984 3.5000 3.6475 3.7152 6.5781 6.5995 6.8007 6.8668 7.1902 7.3045 k =-0.3607 0.5421 0.0136 ( 11573 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6830 -9.6826 -9.6785 -9.6781 -5.0579 -5.0563 -5.0442 -5.0416 -4.8204 -4.8197 -4.8126 -4.8118 -3.5297 -3.5269 -3.4972 -3.4940 -3.1363 -3.1339 -3.1208 -3.1208 -2.9481 -2.9474 -2.9348 -2.9339 -1.6982 -1.6809 -1.6018 -1.5957 -0.6324 -0.6227 -0.5917 -0.5244 0.0082 0.0380 0.0827 0.1127 0.1675 0.1917 0.3286 0.3722 0.7348 0.7903 0.9071 1.0110 1.0801 1.1210 1.2802 1.3978 3.4990 3.5008 3.6468 3.7141 6.5783 6.5991 6.8021 6.8665 7.1893 7.3032 k =-0.3607 0.5421 0.0271 ( 11566 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6830 -9.6826 -9.6785 -9.6781 -5.0579 -5.0564 -5.0442 -5.0416 -4.8203 -4.8197 -4.8126 -4.8118 -3.5297 -3.5269 -3.4972 -3.4940 -3.1363 -3.1340 -3.1208 -3.1208 -2.9481 -2.9474 -2.9348 -2.9339 -1.6979 -1.6810 -1.6019 -1.5959 -0.6326 -0.6230 -0.5899 -0.5247 0.0095 0.0396 0.0825 0.1100 0.1679 0.1904 0.3272 0.3698 0.7374 0.7904 0.9073 1.0092 1.0842 1.1254 1.2783 1.3943 3.5006 3.5032 3.6448 3.7108 6.5789 6.5980 6.8060 6.8658 7.1868 7.2993 k =-0.3607 0.5421 0.0407 ( 11578 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6830 -9.6826 -9.6785 -9.6781 -5.0578 -5.0564 -5.0441 -5.0417 -4.8203 -4.8197 -4.8126 -4.8118 -3.5296 -3.5270 -3.4971 -3.4941 -3.1362 -3.1340 -3.1208 -3.1208 -2.9481 -2.9475 -2.9348 -2.9340 -1.6973 -1.6812 -1.6021 -1.5964 -0.6329 -0.6235 -0.5870 -0.5254 0.0114 0.0417 0.0823 0.1061 0.1687 0.1886 0.3246 0.3654 0.7422 0.7911 0.9075 1.0056 1.0908 1.1326 1.2753 1.3885 3.5033 3.5071 3.6415 3.7054 6.5799 6.5964 6.8119 6.8647 7.1833 7.2931 k =-0.3607 0.5421 0.0543 ( 11589 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6829 -9.6826 -9.6785 -9.6781 -5.0578 -5.0565 -5.0440 -5.0418 -4.8203 -4.8198 -4.8126 -4.8119 -3.5295 -3.5271 -3.4970 -3.4942 -3.1361 -3.1341 -3.1208 -3.1207 -2.9480 -2.9475 -2.9348 -2.9340 -1.6965 -1.6815 -1.6024 -1.5970 -0.6332 -0.6242 -0.5832 -0.5263 0.0138 0.0440 0.0822 0.1014 0.1706 0.1871 0.3203 0.3586 0.7497 0.7928 0.9071 0.9999 1.0994 1.1421 1.2716 1.3807 3.5070 3.5124 3.6372 3.6982 6.5813 6.5946 6.8190 6.8632 7.1798 7.2851 k =-0.3607 0.5421 0.0678 ( 11593 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6829 -9.6826 -9.6784 -9.6781 -5.0577 -5.0565 -5.0439 -5.0419 -4.8203 -4.8198 -4.8125 -4.8119 -3.5293 -3.5272 -3.4969 -3.4944 -3.1360 -3.1342 -3.1207 -3.1207 -2.9480 -2.9476 -2.9347 -2.9340 -1.6955 -1.6820 -1.6026 -1.5977 -0.6333 -0.6250 -0.5787 -0.5277 0.0163 0.0458 0.0823 0.0966 0.1740 0.1867 0.3141 0.3492 0.7600 0.7961 0.9058 0.9916 1.1097 1.1532 1.2675 1.3710 3.5116 3.5188 3.6321 3.6893 6.5828 6.5930 6.8264 6.8614 7.1772 7.2757 k =-0.3607 0.5421 0.0814 ( 11578 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6829 -9.6826 -9.6784 -9.6781 -5.0576 -5.0566 -5.0438 -5.0420 -4.8202 -4.8198 -4.8125 -4.8120 -3.5292 -3.5273 -3.4967 -3.4946 -3.1359 -3.1344 -3.1207 -3.1207 -2.9480 -2.9476 -2.9347 -2.9341 -1.6943 -1.6825 -1.6028 -1.5984 -0.6334 -0.6259 -0.5736 -0.5295 0.0189 0.0464 0.0825 0.0922 0.1794 0.1880 0.3058 0.3372 0.7731 0.8012 0.9036 0.9807 1.1212 1.1648 1.2639 1.3597 3.5170 3.5261 3.6267 3.6791 6.5844 6.5917 6.8335 6.8596 7.1763 7.2651 k =-0.3607 0.5421 0.0949 ( 11579 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6829 -9.6826 -9.6784 -9.6782 -5.0575 -5.0567 -5.0437 -5.0422 -4.8202 -4.8199 -4.8124 -4.8120 -3.5290 -3.5274 -3.4965 -3.4948 -3.1358 -3.1345 -3.1207 -3.1207 -2.9480 -2.9477 -2.9346 -2.9341 -1.6930 -1.6832 -1.6029 -1.5993 -0.6332 -0.6269 -0.5682 -0.5318 0.0214 0.0456 0.0826 0.0886 0.1873 0.1918 0.2957 0.3230 0.7883 0.8078 0.9006 0.9675 1.1332 1.1752 1.2618 1.3470 3.5229 3.5335 3.6216 3.6679 6.5860 6.5909 6.8395 6.8577 7.1777 7.2537 k =-0.3607 0.5421 0.1085 ( 11568 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6828 -9.6827 -9.6784 -9.6782 -5.0574 -5.0568 -5.0435 -5.0424 -4.8202 -4.8199 -4.8124 -4.8120 -3.5288 -3.5276 -3.4963 -3.4950 -3.1356 -3.1346 -3.1207 -3.1207 -2.9480 -2.9477 -2.9346 -2.9342 -1.6917 -1.6841 -1.6029 -1.6001 -0.6329 -0.6279 -0.5626 -0.5347 0.0240 0.0435 0.0824 0.0858 0.1974 0.1980 0.2843 0.3072 0.8045 0.8155 0.8972 0.9523 1.1452 1.1826 1.2628 1.3334 3.5292 3.5404 3.6176 3.6561 6.5875 6.5904 6.8443 6.8560 7.1816 7.2418 k =-0.3607 0.5421 0.1221 ( 11560 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6828 -9.6827 -9.6783 -9.6782 -5.0573 -5.0569 -5.0433 -5.0426 -4.8201 -4.8199 -4.8123 -4.8121 -3.5286 -3.5278 -3.4961 -3.4952 -3.1355 -3.1348 -3.1207 -3.1206 -2.9479 -2.9478 -2.9345 -2.9342 -1.6903 -1.6851 -1.6028 -1.6008 -0.6324 -0.6290 -0.5571 -0.5381 0.0268 0.0404 0.0822 0.0839 0.2064 0.2089 0.2728 0.2908 0.8196 0.8234 0.8950 0.9358 1.1568 1.1851 1.2682 1.3190 3.5355 3.5453 3.6161 3.6444 6.5886 6.5902 6.8478 6.8546 7.1879 7.2297 k =-0.3607 0.5421 0.1356 ( 11564 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6828 -9.6827 -9.6783 -9.6783 -5.0572 -5.0570 -5.0431 -5.0427 -4.8201 -4.8200 -4.8123 -4.8122 -3.5284 -3.5280 -3.4959 -3.4954 -3.1353 -3.1350 -3.1206 -3.1206 -2.9479 -2.9478 -2.9344 -2.9343 -1.6889 -1.6863 -1.6025 -1.6015 -0.6317 -0.6300 -0.5518 -0.5422 0.0299 0.0368 0.0820 0.0827 0.2155 0.2191 0.2641 0.2754 0.8303 0.8304 0.8968 0.9194 1.1674 1.1826 1.2779 1.3045 3.5412 3.5471 3.6182 3.6335 6.5894 6.5901 6.8502 6.8532 7.1964 7.2178 k =-0.3607 0.5421 0.1492 ( 11570 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6827 -9.6827 -9.6783 -9.6783 -5.0571 -5.0571 -5.0429 -5.0429 -4.8200 -4.8200 -4.8122 -4.8122 -3.5282 -3.5282 -3.4957 -3.4957 -3.1351 -3.1351 -3.1206 -3.1206 -2.9479 -2.9479 -2.9344 -2.9344 -1.6875 -1.6875 -1.6021 -1.6021 -0.6309 -0.6309 -0.5468 -0.5468 0.0333 0.0333 0.0821 0.0821 0.2218 0.2218 0.2644 0.2644 0.8337 0.8337 0.9053 0.9053 1.1763 1.1763 1.2905 1.2905 3.5455 3.5455 3.6243 3.6243 6.5899 6.5899 6.8518 6.8518 7.2065 7.2065 k =-0.3607 0.5421 0.1492 ( 11570 PWs) bands (ev): -11.5357 -11.5357 -11.5339 -11.5339 -9.6827 -9.6827 -9.6783 -9.6783 -5.0571 -5.0571 -5.0429 -5.0429 -4.8200 -4.8200 -4.8122 -4.8122 -3.5282 -3.5282 -3.4957 -3.4957 -3.1351 -3.1351 -3.1206 -3.1206 -2.9479 -2.9479 -2.9344 -2.9344 -1.6875 -1.6875 -1.6021 -1.6021 -0.6309 -0.6309 -0.5468 -0.5468 0.0333 0.0333 0.0821 0.0821 0.2218 0.2218 0.2644 0.2644 0.8337 0.8337 0.9053 0.9053 1.1763 1.1763 1.2905 1.2905 3.5455 3.5455 3.6243 3.6243 6.5899 6.5899 6.8518 6.8518 7.2065 7.2065 k =-0.3680 0.5310 0.1492 ( 11582 PWs) bands (ev): -11.5344 -11.5344 -11.5327 -11.5327 -9.6800 -9.6800 -9.6757 -9.6757 -5.0551 -5.0551 -5.0414 -5.0414 -4.8204 -4.8204 -4.8128 -4.8128 -3.5278 -3.5278 -3.4964 -3.4964 -3.1336 -3.1336 -3.1197 -3.1197 -2.9485 -2.9485 -2.9346 -2.9346 -1.6895 -1.6895 -1.6060 -1.6060 -0.6456 -0.6456 -0.5646 -0.5646 0.0283 0.0283 0.0841 0.0841 0.2350 0.2350 0.2770 0.2770 0.8333 0.8333 0.8933 0.8933 1.1897 1.1897 1.3038 1.3038 3.5296 3.5296 3.6060 3.6060 6.5876 6.5876 6.8589 6.8589 7.1948 7.1948 k =-0.3753 0.5200 0.1492 ( 11586 PWs) bands (ev): -11.5333 -11.5333 -11.5316 -11.5316 -9.6775 -9.6775 -9.6734 -9.6734 -5.0532 -5.0532 -5.0400 -5.0400 -4.8208 -4.8208 -4.8133 -4.8133 -3.5274 -3.5274 -3.4973 -3.4973 -3.1320 -3.1320 -3.1189 -3.1189 -2.9491 -2.9491 -2.9349 -2.9349 -1.6915 -1.6915 -1.6104 -1.6104 -0.6596 -0.6596 -0.5821 -0.5821 0.0245 0.0245 0.0869 0.0869 0.2471 0.2471 0.2934 0.2934 0.8339 0.8339 0.8825 0.8825 1.2024 1.2024 1.3165 1.3165 3.5139 3.5139 3.5877 3.5877 6.5831 6.5831 6.8566 6.8566 7.1919 7.1919 k =-0.3827 0.5090 0.1492 ( 11604 PWs) bands (ev): -11.5322 -11.5322 -11.5306 -11.5306 -9.6752 -9.6752 -9.6712 -9.6712 -5.0514 -5.0514 -5.0387 -5.0387 -4.8212 -4.8212 -4.8139 -4.8139 -3.5270 -3.5270 -3.4982 -3.4982 -3.1306 -3.1306 -3.1181 -3.1181 -2.9496 -2.9496 -2.9352 -2.9352 -1.6936 -1.6936 -1.6152 -1.6152 -0.6728 -0.6728 -0.5990 -0.5990 0.0220 0.0220 0.0902 0.0902 0.2585 0.2585 0.3130 0.3130 0.8351 0.8351 0.8733 0.8733 1.2144 1.2144 1.3283 1.3283 3.4985 3.4985 3.5695 3.5695 6.5760 6.5760 6.8437 6.8437 7.1992 7.1992 k =-0.3900 0.4980 0.1492 ( 11600 PWs) bands (ev): -11.5312 -11.5312 -11.5297 -11.5297 -9.6730 -9.6730 -9.6693 -9.6693 -5.0496 -5.0496 -5.0375 -5.0375 -4.8215 -4.8215 -4.8146 -4.8146 -3.5267 -3.5267 -3.4993 -3.4993 -3.1291 -3.1291 -3.1174 -3.1174 -2.9500 -2.9500 -2.9356 -2.9356 -1.6957 -1.6957 -1.6205 -1.6205 -0.6853 -0.6853 -0.6155 -0.6155 0.0205 0.0205 0.0935 0.0935 0.2700 0.2700 0.3347 0.3347 0.8357 0.8357 0.8665 0.8665 1.2255 1.2255 1.3391 1.3391 3.4834 3.4834 3.5515 3.5515 6.5661 6.5661 6.8209 6.8209 7.2164 7.2164 k =-0.3973 0.4870 0.1492 ( 11592 PWs) bands (ev): -11.5302 -11.5302 -11.5288 -11.5288 -9.6711 -9.6711 -9.6676 -9.6676 -5.0479 -5.0479 -5.0364 -5.0364 -4.8219 -4.8219 -4.8152 -4.8152 -3.5263 -3.5263 -3.5004 -3.5004 -3.1278 -3.1278 -3.1168 -3.1168 -2.9503 -2.9503 -2.9361 -2.9361 -1.6977 -1.6977 -1.6260 -1.6260 -0.6970 -0.6970 -0.6313 -0.6313 0.0200 0.0200 0.0966 0.0966 0.2824 0.2824 0.3576 0.3576 0.8345 0.8345 0.8637 0.8637 1.2359 1.2359 1.3488 1.3488 3.4687 3.4687 3.5337 3.5337 6.5534 6.5534 6.7902 6.7902 7.2415 7.2415 k =-0.4047 0.4759 0.1492 ( 11602 PWs) bands (ev): -11.5294 -11.5294 -11.5281 -11.5281 -9.6693 -9.6693 -9.6660 -9.6660 -5.0462 -5.0462 -5.0354 -5.0354 -4.8223 -4.8223 -4.8159 -4.8159 -3.5259 -3.5259 -3.5015 -3.5015 -3.1265 -3.1265 -3.1162 -3.1162 -2.9505 -2.9505 -2.9367 -2.9367 -1.6996 -1.6996 -1.6317 -1.6317 -0.7079 -0.7079 -0.6465 -0.6465 0.0204 0.0204 0.0990 0.0990 0.2960 0.2960 0.3813 0.3813 0.8307 0.8307 0.8650 0.8650 1.2455 1.2455 1.3574 1.3574 3.4545 3.4545 3.5162 3.5162 6.5380 6.5380 6.7540 6.7540 7.2726 7.2726 k =-0.4120 0.4649 0.1492 ( 11602 PWs) bands (ev): -11.5286 -11.5286 -11.5274 -11.5274 -9.6678 -9.6678 -9.6647 -9.6647 -5.0447 -5.0447 -5.0345 -5.0345 -4.8226 -4.8226 -4.8166 -4.8166 -3.5255 -3.5255 -3.5027 -3.5027 -3.1252 -3.1252 -3.1157 -3.1157 -2.9506 -2.9506 -2.9373 -2.9373 -1.7013 -1.7013 -1.6376 -1.6376 -0.7180 -0.7180 -0.6609 -0.6609 0.0215 0.0215 0.1006 0.1006 0.3109 0.3109 0.4051 0.4051 0.8256 0.8256 0.8690 0.8690 1.2545 1.2545 1.3646 1.3646 3.4410 3.4410 3.4992 3.4992 6.5202 6.5202 6.7145 6.7145 7.3078 7.3078 k =-0.4193 0.4539 0.1492 ( 11598 PWs) bands (ev): -11.5279 -11.5279 -11.5268 -11.5268 -9.6663 -9.6663 -9.6635 -9.6635 -5.0432 -5.0432 -5.0337 -5.0337 -4.8229 -4.8229 -4.8172 -4.8172 -3.5251 -3.5251 -3.5040 -3.5040 -3.1241 -3.1241 -3.1153 -3.1153 -2.9506 -2.9506 -2.9379 -2.9379 -1.7028 -1.7028 -1.6436 -1.6436 -0.7271 -0.7271 -0.6746 -0.6746 0.0234 0.0234 0.1013 0.1013 0.3272 0.3272 0.4285 0.4285 0.8206 0.8206 0.8742 0.8742 1.2628 1.2628 1.3705 1.3705 3.4283 3.4283 3.4827 3.4827 6.5005 6.5005 6.6732 6.6732 7.3457 7.3457 k =-0.4267 0.4429 0.1492 ( 11590 PWs) bands (ev): -11.5273 -11.5273 -11.5263 -11.5263 -9.6650 -9.6650 -9.6624 -9.6624 -5.0417 -5.0417 -5.0331 -5.0331 -4.8232 -4.8232 -4.8179 -4.8179 -3.5247 -3.5247 -3.5052 -3.5052 -3.1230 -3.1230 -3.1149 -3.1149 -2.9506 -2.9506 -2.9386 -2.9386 -1.7041 -1.7041 -1.6496 -1.6496 -0.7354 -0.7354 -0.6875 -0.6875 0.0257 0.0257 0.1010 0.1010 0.3447 0.3447 0.4511 0.4511 0.8162 0.8162 0.8796 0.8796 1.2707 1.2707 1.3750 1.3750 3.4164 3.4164 3.4669 3.4669 6.4796 6.4796 6.6314 6.6314 7.3852 7.3852 k =-0.4340 0.4319 0.1492 ( 11594 PWs) bands (ev): -11.5268 -11.5268 -11.5258 -11.5258 -9.6639 -9.6639 -9.6615 -9.6615 -5.0404 -5.0404 -5.0325 -5.0325 -4.8235 -4.8235 -4.8186 -4.8186 -3.5242 -3.5242 -3.5065 -3.5065 -3.1219 -3.1219 -3.1147 -3.1147 -2.9505 -2.9505 -2.9393 -2.9393 -1.7051 -1.7051 -1.6555 -1.6555 -0.7428 -0.7428 -0.6995 -0.6995 0.0285 0.0285 0.0997 0.0997 0.3632 0.3632 0.4723 0.4723 0.8129 0.8129 0.8846 0.8846 1.2784 1.2784 1.3781 1.3781 3.4055 3.4055 3.4518 3.4518 6.4582 6.4582 6.5904 6.5904 7.4253 7.4253 k =-0.4413 0.4209 0.1492 ( 11598 PWs) bands (ev): -11.5263 -11.5263 -11.5254 -11.5254 -9.6629 -9.6629 -9.6608 -9.6608 -5.0391 -5.0391 -5.0320 -5.0320 -4.8237 -4.8237 -4.8192 -4.8192 -3.5237 -3.5237 -3.5078 -3.5078 -3.1209 -3.1209 -3.1144 -3.1144 -2.9502 -2.9502 -2.9401 -2.9401 -1.7058 -1.7058 -1.6612 -1.6612 -0.7492 -0.7492 -0.7106 -0.7106 0.0318 0.0318 0.0977 0.0977 0.3825 0.3825 0.4915 0.4915 0.8110 0.8110 0.8886 0.8886 1.2858 1.2858 1.3798 1.3798 3.3957 3.3957 3.4376 3.4376 6.4370 6.4370 6.5508 6.5508 7.4653 7.4653 k =-0.4487 0.4098 0.1492 ( 11606 PWs) bands (ev): -11.5258 -11.5258 -11.5251 -11.5251 -9.6620 -9.6620 -9.6601 -9.6601 -5.0379 -5.0379 -5.0317 -5.0317 -4.8238 -4.8238 -4.8198 -4.8198 -3.5231 -3.5231 -3.5091 -3.5091 -3.1200 -3.1200 -3.1143 -3.1143 -2.9500 -2.9500 -2.9409 -2.9409 -1.7061 -1.7061 -1.6668 -1.6668 -0.7546 -0.7546 -0.7208 -0.7208 0.0353 0.0353 0.0949 0.0949 0.4021 0.4021 0.5081 0.5081 0.8108 0.8108 0.8913 0.8913 1.2933 1.2933 1.3800 1.3800 3.3871 3.3871 3.4244 3.4244 6.4169 6.4169 6.5136 6.5136 7.5042 7.5042 k =-0.4560 0.3988 0.1492 ( 11622 PWs) bands (ev): -11.5254 -11.5254 -11.5248 -11.5248 -9.6612 -9.6612 -9.6596 -9.6596 -5.0369 -5.0369 -5.0315 -5.0315 -4.8239 -4.8239 -4.8204 -4.8204 -3.5225 -3.5225 -3.5104 -3.5104 -3.1192 -3.1192 -3.1143 -3.1143 -2.9496 -2.9496 -2.9416 -2.9416 -1.7061 -1.7061 -1.6721 -1.6721 -0.7590 -0.7590 -0.7300 -0.7300 0.0391 0.0391 0.0915 0.0915 0.4217 0.4217 0.5214 0.5214 0.8126 0.8126 0.8923 0.8923 1.3009 1.3009 1.3789 1.3789 3.3798 3.3798 3.4122 3.4122 6.3986 6.3986 6.4793 6.4793 7.5414 7.5414 k =-0.4633 0.3878 0.1492 ( 11626 PWs) bands (ev): -11.5251 -11.5251 -11.5246 -11.5246 -9.6606 -9.6606 -9.6592 -9.6592 -5.0359 -5.0359 -5.0313 -5.0313 -4.8239 -4.8239 -4.8210 -4.8210 -3.5218 -3.5218 -3.5117 -3.5117 -3.1184 -3.1184 -3.1143 -3.1143 -2.9492 -2.9492 -2.9424 -2.9424 -1.7056 -1.7056 -1.6772 -1.6772 -0.7624 -0.7624 -0.7382 -0.7382 0.0431 0.0431 0.0877 0.0877 0.4411 0.4411 0.5310 0.5310 0.8165 0.8165 0.8914 0.8914 1.3087 1.3087 1.3765 1.3765 3.3739 3.3739 3.4013 3.4013 6.3827 6.3827 6.4485 6.4485 7.5760 7.5760 k =-0.4707 0.3768 0.1492 ( 11614 PWs) bands (ev): -11.5248 -11.5248 -11.5244 -11.5244 -9.6600 -9.6600 -9.6589 -9.6589 -5.0350 -5.0350 -5.0313 -5.0313 -4.8239 -4.8239 -4.8215 -4.8215 -3.5210 -3.5210 -3.5129 -3.5129 -3.1177 -3.1177 -3.1144 -3.1144 -2.9487 -2.9487 -2.9432 -2.9432 -1.7048 -1.7048 -1.6819 -1.6819 -0.7648 -0.7648 -0.7454 -0.7454 0.0473 0.0473 0.0835 0.0835 0.4597 0.4597 0.5365 0.5365 0.8225 0.8225 0.8885 0.8885 1.3166 1.3166 1.3729 1.3729 3.3696 3.3696 3.3917 3.3917 6.3700 6.3700 6.4216 6.4216 7.6074 7.6074 k =-0.4780 0.3658 0.1492 ( 11620 PWs) bands (ev): -11.5246 -11.5246 -11.5243 -11.5243 -9.6595 -9.6595 -9.6587 -9.6587 -5.0342 -5.0342 -5.0314 -5.0314 -4.8238 -4.8238 -4.8220 -4.8220 -3.5202 -3.5202 -3.5141 -3.5141 -3.1170 -3.1170 -3.1146 -3.1146 -2.9481 -2.9481 -2.9440 -2.9440 -1.7034 -1.7034 -1.6862 -1.6862 -0.7661 -0.7661 -0.7516 -0.7516 0.0516 0.0516 0.0791 0.0791 0.4773 0.4773 0.5379 0.5379 0.8303 0.8303 0.8836 0.8836 1.3247 1.3247 1.3682 1.3682 3.3667 3.3667 3.3834 3.3834 6.3608 6.3608 6.3990 6.3990 7.6349 7.6349 k =-0.4853 0.3547 0.1492 ( 11612 PWs) bands (ev): -11.5245 -11.5245 -11.5242 -11.5242 -9.6592 -9.6592 -9.6586 -9.6586 -5.0334 -5.0334 -5.0316 -5.0316 -4.8236 -4.8236 -4.8225 -4.8225 -3.5194 -3.5194 -3.5153 -3.5153 -3.1165 -3.1165 -3.1148 -3.1148 -2.9475 -2.9475 -2.9447 -2.9447 -1.7017 -1.7017 -1.6902 -1.6902 -0.7664 -0.7664 -0.7567 -0.7567 0.0561 0.0561 0.0746 0.0746 0.4935 0.4935 0.5354 0.5354 0.8395 0.8395 0.8768 0.8768 1.3329 1.3329 1.3624 1.3624 3.3654 3.3654 3.3767 3.3767 6.3557 6.3557 6.3809 6.3809 7.6577 7.6577 k =-0.4927 0.3437 0.1492 ( 11626 PWs) bands (ev): -11.5243 -11.5243 -11.5242 -11.5242 -9.6589 -9.6589 -9.6586 -9.6586 -5.0328 -5.0328 -5.0319 -5.0319 -4.8234 -4.8234 -4.8228 -4.8228 -3.5184 -3.5184 -3.5164 -3.5164 -3.1159 -3.1159 -3.1151 -3.1151 -2.9469 -2.9469 -2.9455 -2.9455 -1.6995 -1.6995 -1.6937 -1.6937 -0.7655 -0.7655 -0.7607 -0.7607 0.0607 0.0607 0.0700 0.0700 0.5078 0.5078 0.5292 0.5292 0.8493 0.8493 0.8686 0.8686 1.3409 1.3409 1.3558 1.3558 3.3658 3.3658 3.3714 3.3714 6.3550 6.3550 6.3675 6.3675 7.6753 7.6753 k =-0.5000 0.3327 0.1492 ( 11620 PWs) bands (ev): -11.5243 -11.5243 -11.5243 -11.5243 -9.6587 -9.6587 -9.6587 -9.6587 -5.0323 -5.0323 -5.0323 -5.0323 -4.8232 -4.8232 -4.8232 -4.8232 -3.5175 -3.5175 -3.5175 -3.5175 -3.1155 -3.1155 -3.1155 -3.1155 -2.9462 -2.9462 -2.9462 -2.9462 -1.6968 -1.6968 -1.6968 -1.6968 -0.7637 -0.7637 -0.7637 -0.7637 0.0653 0.0653 0.0653 0.0653 0.5198 0.5198 0.5198 0.5198 0.8592 0.8592 0.8592 0.8592 1.3486 1.3486 1.3486 1.3486 3.3678 3.3678 3.3678 3.3678 6.3589 6.3589 6.3589 6.3589 7.6871 7.6871 k =-0.5000 0.3327 0.1492 ( 11620 PWs) bands (ev): -11.5243 -11.5243 -11.5243 -11.5243 -9.6587 -9.6587 -9.6587 -9.6587 -5.0323 -5.0323 -5.0323 -5.0323 -4.8232 -4.8232 -4.8232 -4.8232 -3.5175 -3.5175 -3.5175 -3.5175 -3.1155 -3.1155 -3.1155 -3.1155 -2.9462 -2.9462 -2.9462 -2.9462 -1.6968 -1.6968 -1.6968 -1.6968 -0.7637 -0.7637 -0.7637 -0.7637 0.0653 0.0653 0.0653 0.0653 0.5198 0.5198 0.5198 0.5198 0.8592 0.8592 0.8592 0.8592 1.3486 1.3486 1.3486 1.3486 3.3678 3.3678 3.3678 3.3678 6.3589 6.3589 6.3589 6.3589 7.6871 7.6871 k =-0.5000 0.3327 0.1356 ( 11636 PWs) bands (ev): -11.5243 -11.5243 -11.5242 -11.5242 -9.6589 -9.6589 -9.6586 -9.6586 -5.0328 -5.0328 -5.0319 -5.0319 -4.8232 -4.8232 -4.8231 -4.8231 -3.5185 -3.5185 -3.5164 -3.5164 -3.1155 -3.1155 -3.1155 -3.1155 -2.9462 -2.9462 -2.9462 -2.9462 -1.6997 -1.6997 -1.6940 -1.6940 -0.7722 -0.7722 -0.7544 -0.7544 0.0598 0.0598 0.0697 0.0697 0.5107 0.5107 0.5291 0.5291 0.8473 0.8473 0.8714 0.8714 1.3349 1.3349 1.3630 1.3630 3.3586 3.3586 3.3761 3.3761 6.3428 6.3428 6.3763 6.3763 7.6640 7.6640 k =-0.5000 0.3327 0.1221 ( 11618 PWs) bands (ev): -11.5243 -11.5243 -11.5242 -11.5242 -9.6590 -9.6590 -9.6584 -9.6584 -5.0332 -5.0332 -5.0315 -5.0315 -4.8232 -4.8232 -4.8231 -4.8231 -3.5195 -3.5195 -3.5154 -3.5154 -3.1156 -3.1156 -3.1154 -3.1154 -2.9462 -2.9462 -2.9462 -2.9462 -1.7025 -1.7025 -1.6913 -1.6913 -0.7799 -0.7799 -0.7447 -0.7447 0.0535 0.0535 0.0727 0.0727 0.5017 0.5017 0.5385 0.5385 0.8356 0.8356 0.8835 0.8835 1.3223 1.3223 1.3779 1.3779 3.3486 3.3486 3.3833 3.3833 6.3283 6.3283 6.3947 6.3947 7.6418 7.6418 k =-0.5000 0.3327 0.1085 ( 11622 PWs) bands (ev): -11.5244 -11.5244 -11.5241 -11.5241 -9.6592 -9.6592 -9.6583 -9.6583 -5.0336 -5.0336 -5.0310 -5.0310 -4.8232 -4.8232 -4.8231 -4.8231 -3.5204 -3.5204 -3.5145 -3.5145 -3.1156 -3.1156 -3.1154 -3.1154 -2.9462 -2.9462 -2.9461 -2.9461 -1.7053 -1.7053 -1.6888 -1.6888 -0.7867 -0.7867 -0.7347 -0.7347 0.0465 0.0465 0.0745 0.0745 0.4931 0.4931 0.5478 0.5478 0.8245 0.8245 0.8952 0.8952 1.3111 1.3111 1.3927 1.3927 3.3383 3.3383 3.3893 3.3893 6.3156 6.3156 6.4135 6.4135 7.6210 7.6210 k =-0.5000 0.3327 0.0949 ( 11618 PWs) bands (ev): -11.5244 -11.5244 -11.5241 -11.5241 -9.6593 -9.6593 -9.6581 -9.6581 -5.0340 -5.0340 -5.0307 -5.0307 -4.8232 -4.8232 -4.8231 -4.8231 -3.5213 -3.5213 -3.5136 -3.5136 -3.1157 -3.1157 -3.1154 -3.1154 -2.9463 -2.9463 -2.9461 -2.9461 -1.7080 -1.7080 -1.6865 -1.6865 -0.7926 -0.7926 -0.7247 -0.7247 0.0394 0.0394 0.0749 0.0749 0.4849 0.4849 0.5570 0.5570 0.8138 0.8138 0.9064 0.9064 1.3014 1.3014 1.4071 1.4071 3.3278 3.3278 3.3942 3.3942 6.3048 6.3048 6.4322 6.4322 7.6019 7.6019 k =-0.5000 0.3327 0.0814 ( 11608 PWs) bands (ev): -11.5244 -11.5244 -11.5241 -11.5241 -9.6594 -9.6594 -9.6580 -9.6580 -5.0343 -5.0343 -5.0303 -5.0303 -4.8233 -4.8233 -4.8231 -4.8231 -3.5221 -3.5221 -3.5128 -3.5128 -3.1158 -3.1158 -3.1154 -3.1154 -2.9463 -2.9463 -2.9461 -2.9461 -1.7104 -1.7104 -1.6844 -1.6844 -0.7975 -0.7975 -0.7151 -0.7151 0.0323 0.0323 0.0741 0.0741 0.4773 0.4773 0.5662 0.5662 0.8038 0.8038 0.9166 0.9166 1.2934 1.2934 1.4207 1.4207 3.3177 3.3177 3.3979 3.3979 6.2958 6.2958 6.4503 6.4503 7.5847 7.5847 k =-0.5000 0.3327 0.0678 ( 11608 PWs) bands (ev): -11.5245 -11.5245 -11.5240 -11.5240 -9.6595 -9.6595 -9.6579 -9.6579 -5.0346 -5.0346 -5.0300 -5.0300 -4.8233 -4.8233 -4.8230 -4.8230 -3.5228 -3.5228 -3.5120 -3.5120 -3.1158 -3.1158 -3.1154 -3.1154 -2.9463 -2.9463 -2.9461 -2.9461 -1.7126 -1.7126 -1.6826 -1.6826 -0.8015 -0.8015 -0.7061 -0.7061 0.0257 0.0257 0.0725 0.0725 0.4705 0.4705 0.5750 0.5750 0.7943 0.7943 0.9257 0.9257 1.2869 1.2869 1.4329 1.4329 3.3083 3.3083 3.4006 3.4006 6.2885 6.2885 6.4669 6.4669 7.5699 7.5699 k =-0.5000 0.3327 0.0543 ( 11608 PWs) bands (ev): -11.5245 -11.5245 -11.5240 -11.5240 -9.6596 -9.6596 -9.6578 -9.6578 -5.0349 -5.0349 -5.0297 -5.0297 -4.8233 -4.8233 -4.8230 -4.8230 -3.5234 -3.5234 -3.5114 -3.5114 -3.1159 -3.1159 -3.1153 -3.1153 -2.9463 -2.9463 -2.9461 -2.9461 -1.7145 -1.7145 -1.6812 -1.6812 -0.8046 -0.8046 -0.6982 -0.6982 0.0199 0.0199 0.0704 0.0704 0.4646 0.4646 0.5834 0.5834 0.7857 0.7857 0.9335 0.9335 1.2820 1.2820 1.4436 1.4436 3.3000 3.3000 3.4025 3.4025 6.2829 6.2829 6.4816 6.4816 7.5575 7.5575 k =-0.5000 0.3327 0.0407 ( 11608 PWs) bands (ev): -11.5245 -11.5245 -11.5240 -11.5240 -9.6597 -9.6597 -9.6577 -9.6577 -5.0351 -5.0351 -5.0295 -5.0295 -4.8233 -4.8233 -4.8230 -4.8230 -3.5239 -3.5239 -3.5109 -3.5109 -3.1159 -3.1159 -3.1153 -3.1153 -2.9463 -2.9463 -2.9461 -2.9461 -1.7159 -1.7159 -1.6800 -1.6800 -0.8070 -0.8070 -0.6916 -0.6916 0.0150 0.0150 0.0683 0.0683 0.4599 0.4599 0.5907 0.5907 0.7782 0.7782 0.9398 0.9398 1.2784 1.2784 1.4523 1.4523 3.2931 3.2931 3.4037 3.4037 6.2788 6.2788 6.4937 6.4937 7.5478 7.5478 k =-0.5000 0.3327 0.0271 ( 11610 PWs) bands (ev): -11.5245 -11.5245 -11.5240 -11.5240 -9.6598 -9.6598 -9.6577 -9.6577 -5.0353 -5.0353 -5.0294 -5.0294 -4.8233 -4.8233 -4.8230 -4.8230 -3.5242 -3.5242 -3.5106 -3.5106 -3.1159 -3.1159 -3.1153 -3.1153 -2.9463 -2.9463 -2.9461 -2.9461 -1.7170 -1.7170 -1.6792 -1.6792 -0.8086 -0.8086 -0.6866 -0.6866 0.0114 0.0114 0.0664 0.0664 0.4563 0.4563 0.5966 0.5966 0.7723 0.7723 0.9444 0.9444 1.2760 1.2760 1.4587 1.4587 3.2880 3.2880 3.4045 3.4045 6.2759 6.2759 6.5027 6.5027 7.5407 7.5407 k =-0.5000 0.3327 0.0136 ( 11610 PWs) bands (ev): -11.5245 -11.5245 -11.5240 -11.5240 -9.6598 -9.6598 -9.6576 -9.6576 -5.0354 -5.0354 -5.0293 -5.0293 -4.8233 -4.8233 -4.8230 -4.8230 -3.5244 -3.5244 -3.5103 -3.5103 -3.1159 -3.1159 -3.1153 -3.1153 -2.9463 -2.9463 -2.9461 -2.9461 -1.7177 -1.7177 -1.6787 -1.6787 -0.8095 -0.8095 -0.6835 -0.6835 0.0092 0.0092 0.0651 0.0651 0.4542 0.4542 0.6005 0.6005 0.7684 0.7684 0.9472 0.9472 1.2746 1.2746 1.4626 1.4626 3.2848 3.2848 3.4049 3.4049 6.2743 6.2743 6.5083 6.5083 7.5365 7.5365 k =-0.5000 0.3327 0.0000 ( 11606 PWs) bands (ev): -11.5245 -11.5245 -11.5240 -11.5240 -9.6598 -9.6598 -9.6576 -9.6576 -5.0354 -5.0354 -5.0292 -5.0292 -4.8233 -4.8233 -4.8230 -4.8230 -3.5245 -3.5245 -3.5103 -3.5103 -3.1159 -3.1159 -3.1153 -3.1153 -2.9463 -2.9463 -2.9461 -2.9461 -1.7179 -1.7179 -1.6785 -1.6785 -0.8098 -0.8098 -0.6825 -0.6825 0.0085 0.0085 0.0646 0.0646 0.4535 0.4535 0.6018 0.6018 0.7671 0.7671 0.9481 0.9481 1.2742 1.2742 1.4639 1.4639 3.2837 3.2837 3.4050 3.4050 6.2738 6.2738 6.5102 6.5102 7.5351 7.5351 k = 0.0000 0.0000 0.1492 ( 11636 PWs) bands (ev): -11.6483 -11.6483 -11.6483 -11.6483 -9.9274 -9.9274 -9.9274 -9.9274 -5.1280 -5.1280 -5.1280 -5.1280 -4.8441 -4.8441 -4.8441 -4.8441 -3.5574 -3.5574 -3.5574 -3.5574 -3.1857 -3.1857 -3.1857 -3.1857 -2.9511 -2.9511 -2.9511 -2.9511 -1.7521 -1.7521 -1.7521 -1.7521 -0.0111 -0.0111 -0.0111 -0.0111 0.9614 0.9614 0.9614 0.9614 1.1276 1.1276 1.1276 1.1276 1.3052 1.3052 1.3052 1.3052 1.8277 1.8277 1.8277 1.8277 3.6279 3.6279 3.6279 3.6279 6.1186 6.1186 6.1186 6.1186 7.5142 7.5142 k =-0.0114 0.0076 0.1492 ( 11632 PWs) bands (ev): -11.6482 -11.6482 -11.6480 -11.6480 -9.9273 -9.9273 -9.9269 -9.9269 -5.1283 -5.1283 -5.1275 -5.1275 -4.8443 -4.8443 -4.8438 -4.8438 -3.5581 -3.5581 -3.5564 -3.5564 -3.1860 -3.1860 -3.1850 -3.1850 -2.9512 -2.9512 -2.9512 -2.9512 -1.7536 -1.7536 -1.7505 -1.7505 -0.0120 -0.0120 -0.0115 -0.0115 0.9587 0.9587 0.9622 0.9622 1.1205 1.1205 1.1314 1.1314 1.3042 1.3042 1.3051 1.3051 1.8242 1.8242 1.8266 1.8266 3.6232 3.6232 3.6359 3.6359 6.1218 6.1218 6.1219 6.1219 7.5152 7.5152 k =-0.0227 0.0151 0.1492 ( 11630 PWs) bands (ev): -11.6478 -11.6478 -11.6475 -11.6475 -9.9266 -9.9266 -9.9258 -9.9258 -5.1283 -5.1283 -5.1268 -5.1268 -4.8444 -4.8444 -4.8435 -4.8435 -3.5586 -3.5586 -3.5552 -3.5552 -3.1862 -3.1862 -3.1841 -3.1841 -2.9513 -2.9513 -2.9513 -2.9513 -1.7550 -1.7550 -1.7488 -1.7488 -0.0142 -0.0142 -0.0130 -0.0130 0.9539 0.9539 0.9610 0.9610 1.1100 1.1100 1.1319 1.1319 1.3018 1.3018 1.3039 1.3039 1.8162 1.8162 1.8209 1.8209 3.6220 3.6220 3.6470 3.6470 6.1315 6.1315 6.1315 6.1315 7.5195 7.5195 k =-0.0341 0.0227 0.1492 ( 11630 PWs) bands (ev): -11.6471 -11.6471 -11.6466 -11.6466 -9.9252 -9.9252 -9.9241 -9.9241 -5.1281 -5.1281 -5.1258 -5.1258 -4.8445 -4.8445 -4.8431 -4.8431 -3.5587 -3.5587 -3.5536 -3.5536 -3.1860 -3.1860 -3.1830 -3.1830 -2.9516 -2.9516 -2.9516 -2.9516 -1.7564 -1.7564 -1.7471 -1.7471 -0.0176 -0.0176 -0.0158 -0.0158 0.9468 0.9468 0.9581 0.9581 1.0963 1.0963 1.1293 1.1293 1.2981 1.2981 1.3015 1.3015 1.8042 1.8042 1.8108 1.8108 3.6241 3.6241 3.6610 3.6610 6.1472 6.1472 6.1475 6.1475 7.5273 7.5273 k =-0.0455 0.0302 0.1492 ( 11630 PWs) bands (ev): -11.6461 -11.6461 -11.6454 -11.6454 -9.9232 -9.9232 -9.9217 -9.9217 -5.1276 -5.1276 -5.1246 -5.1246 -4.8445 -4.8445 -4.8426 -4.8426 -3.5586 -3.5586 -3.5518 -3.5518 -3.1856 -3.1856 -3.1816 -3.1816 -2.9520 -2.9520 -2.9520 -2.9520 -1.7577 -1.7577 -1.7453 -1.7453 -0.0224 -0.0224 -0.0198 -0.0198 0.9374 0.9374 0.9535 0.9535 1.0796 1.0796 1.1239 1.1239 1.2930 1.2930 1.2980 1.2980 1.7883 1.7883 1.7964 1.7964 3.6293 3.6293 3.6775 3.6775 6.1686 6.1686 6.1696 6.1696 7.5383 7.5383 k =-0.0568 0.0378 0.1492 ( 11626 PWs) bands (ev): -11.6447 -11.6447 -11.6439 -11.6439 -9.9206 -9.9206 -9.9188 -9.9188 -5.1270 -5.1270 -5.1232 -5.1232 -4.8444 -4.8444 -4.8421 -4.8421 -3.5582 -3.5582 -3.5497 -3.5497 -3.1850 -3.1850 -3.1800 -3.1800 -2.9526 -2.9526 -2.9526 -2.9526 -1.7589 -1.7589 -1.7434 -1.7434 -0.0286 -0.0286 -0.0250 -0.0250 0.9256 0.9256 0.9473 0.9473 1.0600 1.0600 1.1160 1.1160 1.2863 1.2863 1.2932 1.2932 1.7692 1.7692 1.7782 1.7782 3.6372 3.6372 3.6960 3.6960 6.1950 6.1950 6.1973 6.1973 7.5525 7.5525 k =-0.0682 0.0454 0.1492 ( 11616 PWs) bands (ev): -11.6431 -11.6431 -11.6421 -11.6421 -9.9174 -9.9174 -9.9152 -9.9152 -5.1261 -5.1261 -5.1216 -5.1216 -4.8443 -4.8443 -4.8415 -4.8415 -3.5576 -3.5576 -3.5474 -3.5474 -3.1841 -3.1841 -3.1782 -3.1782 -2.9532 -2.9532 -2.9532 -2.9532 -1.7601 -1.7601 -1.7414 -1.7414 -0.0362 -0.0362 -0.0315 -0.0315 0.9112 0.9112 0.9395 0.9395 1.0379 1.0379 1.1061 1.1061 1.2782 1.2782 1.2872 1.2872 1.7474 1.7474 1.7567 1.7567 3.6475 3.6475 3.7160 3.7160 6.2258 6.2258 6.2301 6.2301 7.5696 7.5696 k =-0.0795 0.0529 0.1492 ( 11616 PWs) bands (ev): -11.6412 -11.6412 -11.6401 -11.6401 -9.9137 -9.9137 -9.9111 -9.9111 -5.1250 -5.1250 -5.1197 -5.1197 -4.8441 -4.8441 -4.8409 -4.8409 -3.5567 -3.5567 -3.5448 -3.5448 -3.1830 -3.1830 -3.1762 -3.1762 -2.9539 -2.9539 -2.9539 -2.9539 -1.7612 -1.7612 -1.7393 -1.7393 -0.0454 -0.0454 -0.0393 -0.0393 0.8942 0.8942 0.9300 0.9300 1.0136 1.0136 1.0946 1.0946 1.2686 1.2686 1.2798 1.2798 1.7235 1.7235 1.7324 1.7324 3.6596 3.6596 3.7369 3.7369 6.2601 6.2601 6.2672 6.2672 7.5895 7.5895 k =-0.0909 0.0605 0.1492 ( 11634 PWs) bands (ev): -11.6390 -11.6390 -11.6377 -11.6377 -9.9093 -9.9093 -9.9065 -9.9065 -5.1237 -5.1237 -5.1176 -5.1176 -4.8438 -4.8438 -4.8402 -4.8402 -3.5557 -3.5557 -3.5420 -3.5420 -3.1817 -3.1817 -3.1739 -3.1739 -2.9547 -2.9547 -2.9547 -2.9547 -1.7622 -1.7622 -1.7372 -1.7372 -0.0560 -0.0560 -0.0483 -0.0483 0.8745 0.8745 0.9184 0.9184 0.9880 0.9880 1.0819 1.0819 1.2575 1.2575 1.2710 1.2710 1.6980 1.6980 1.7061 1.7061 3.6730 3.6730 3.7581 3.7581 6.2970 6.2970 6.3079 6.3079 7.6118 7.6118 k =-0.1023 0.0681 0.1492 ( 11636 PWs) bands (ev): -11.6365 -11.6365 -11.6351 -11.6351 -9.9044 -9.9044 -9.9012 -9.9012 -5.1222 -5.1222 -5.1153 -5.1153 -4.8435 -4.8435 -4.8395 -4.8395 -3.5545 -3.5545 -3.5390 -3.5390 -3.1801 -3.1801 -3.1715 -3.1715 -2.9555 -2.9555 -2.9555 -2.9555 -1.7632 -1.7632 -1.7349 -1.7349 -0.0683 -0.0683 -0.0587 -0.0587 0.8521 0.8521 0.9037 0.9037 0.9625 0.9625 1.0684 1.0684 1.2449 1.2449 1.2606 1.2606 1.6716 1.6716 1.6784 1.6784 3.6871 3.6871 3.7791 3.7791 6.3355 6.3355 6.3511 6.3511 7.6364 7.6364 k =-0.1136 0.0756 0.1492 ( 11644 PWs) bands (ev): -11.6338 -11.6338 -11.6323 -11.6323 -9.8990 -9.8990 -9.8955 -9.8955 -5.1205 -5.1205 -5.1129 -5.1129 -4.8431 -4.8431 -4.8387 -4.8387 -3.5531 -3.5531 -3.5359 -3.5359 -3.1784 -3.1784 -3.1690 -3.1690 -2.9564 -2.9564 -2.9564 -2.9564 -1.7641 -1.7641 -1.7326 -1.7326 -0.0822 -0.0822 -0.0704 -0.0704 0.8270 0.8270 0.8840 0.8840 0.9393 0.9393 1.0544 1.0544 1.2309 1.2309 1.2485 1.2485 1.6447 1.6447 1.6500 1.6500 3.7014 3.7014 3.7994 3.7994 6.3744 6.3744 6.3958 6.3958 7.6628 7.6628 k =-0.1250 0.0832 0.1492 ( 11668 PWs) bands (ev): -11.6308 -11.6308 -11.6292 -11.6292 -9.8931 -9.8931 -9.8893 -9.8893 -5.1186 -5.1186 -5.1102 -5.1102 -4.8426 -4.8426 -4.8379 -4.8379 -3.5516 -3.5516 -3.5326 -3.5326 -3.1765 -3.1765 -3.1662 -3.1662 -2.9573 -2.9573 -2.9573 -2.9573 -1.7649 -1.7649 -1.7302 -1.7302 -0.0977 -0.0977 -0.0835 -0.0835 0.7995 0.7995 0.8577 0.8577 0.9202 0.9202 1.0402 1.0402 1.2154 1.2154 1.2347 1.2347 1.6179 1.6179 1.6215 1.6215 3.7152 3.7152 3.8183 3.8183 6.4125 6.4125 6.4410 6.4410 7.6906 7.6906 k =-0.1364 0.0907 0.1492 ( 11678 PWs) bands (ev): -11.6277 -11.6277 -11.6259 -11.6259 -9.8867 -9.8867 -9.8826 -9.8826 -5.1165 -5.1165 -5.1074 -5.1074 -4.8422 -4.8422 -4.8371 -4.8371 -3.5500 -3.5500 -3.5292 -3.5292 -3.1744 -3.1744 -3.1634 -3.1634 -2.9583 -2.9583 -2.9583 -2.9583 -1.7657 -1.7657 -1.7277 -1.7277 -0.1148 -0.1148 -0.0979 -0.0979 0.7697 0.7697 0.8259 0.8259 0.9050 0.9050 1.0259 1.0259 1.1985 1.1985 1.2191 1.2191 1.5917 1.5917 1.5935 1.5935 3.7281 3.7281 3.8355 3.8355 6.4488 6.4488 6.4853 6.4853 7.7173 7.7173 k =-0.1477 0.0983 0.1492 ( 11666 PWs) bands (ev): -11.6242 -11.6242 -11.6223 -11.6223 -9.8798 -9.8798 -9.8754 -9.8754 -5.1143 -5.1143 -5.1044 -5.1044 -4.8416 -4.8416 -4.8363 -4.8363 -3.5483 -3.5483 -3.5257 -3.5257 -3.1721 -3.1721 -3.1605 -3.1605 -2.9592 -2.9592 -2.9592 -2.9592 -1.7664 -1.7664 -1.7251 -1.7251 -0.1336 -0.1336 -0.1136 -0.1136 0.7379 0.7379 0.7903 0.7903 0.8920 0.8920 1.0117 1.0117 1.1802 1.1802 1.2017 1.2017 1.5664 1.5664 1.5668 1.5668 3.7395 3.7395 3.8504 3.8504 6.4823 6.4823 6.5277 6.5277 7.7411 7.7411 k =-0.1591 0.1059 0.1492 ( 11654 PWs) bands (ev): -11.6206 -11.6206 -11.6186 -11.6186 -9.8724 -9.8724 -9.8678 -9.8678 -5.1119 -5.1119 -5.1012 -5.1012 -4.8411 -4.8411 -4.8354 -4.8354 -3.5465 -3.5465 -3.5222 -3.5222 -3.1697 -3.1697 -3.1574 -3.1574 -2.9602 -2.9602 -2.9601 -2.9601 -1.7671 -1.7671 -1.7224 -1.7224 -0.1539 -0.1539 -0.1307 -0.1307 0.7044 0.7044 0.7523 0.7523 0.8802 0.8802 0.9976 0.9976 1.1608 1.1608 1.1825 1.1825 1.5416 1.5416 1.5424 1.5424 3.7490 3.7490 3.8627 3.8627 6.5119 6.5119 6.5670 6.5670 7.7633 7.7633 k =-0.1705 0.1134 0.1492 ( 11658 PWs) bands (ev): -11.6169 -11.6169 -11.6148 -11.6148 -9.8647 -9.8647 -9.8599 -9.8599 -5.1094 -5.1094 -5.0980 -5.0980 -4.8404 -4.8404 -4.8346 -4.8346 -3.5448 -3.5448 -3.5186 -3.5186 -3.1672 -3.1672 -3.1544 -3.1544 -2.9611 -2.9611 -2.9610 -2.9610 -1.7677 -1.7677 -1.7197 -1.7197 -0.1757 -0.1757 -0.1491 -0.1491 0.6695 0.6695 0.7128 0.7128 0.8692 0.8692 0.9834 0.9834 1.1401 1.1401 1.1617 1.1617 1.5184 1.5184 1.5200 1.5200 3.7562 3.7562 3.8720 3.8720 6.5371 6.5371 6.6021 6.6021 7.7834 7.7834 k =-0.1818 0.1210 0.1492 ( 11644 PWs) bands (ev): -11.6129 -11.6129 -11.6108 -11.6108 -9.8566 -9.8566 -9.8516 -9.8516 -5.1067 -5.1067 -5.0946 -5.0946 -4.8398 -4.8398 -4.8337 -4.8337 -3.5430 -3.5430 -3.5151 -3.5151 -3.1646 -3.1646 -3.1513 -3.1513 -2.9620 -2.9620 -2.9619 -2.9619 -1.7682 -1.7682 -1.7168 -1.7168 -0.1990 -0.1990 -0.1686 -0.1686 0.6337 0.6337 0.6724 0.6724 0.8586 0.8586 0.9692 0.9692 1.1186 1.1186 1.1395 1.1395 1.4973 1.4973 1.4992 1.4992 3.7608 3.7608 3.8781 3.8781 6.5574 6.5574 6.6323 6.6323 7.8007 7.8007 k =-0.1932 0.1285 0.1492 ( 11652 PWs) bands (ev): -11.6089 -11.6089 -11.6066 -11.6066 -9.8482 -9.8482 -9.8430 -9.8430 -5.1039 -5.1039 -5.0911 -5.0911 -4.8391 -4.8391 -4.8329 -4.8329 -3.5413 -3.5413 -3.5117 -3.5117 -3.1620 -3.1620 -3.1482 -3.1482 -2.9628 -2.9628 -2.9626 -2.9626 -1.7686 -1.7686 -1.7139 -1.7139 -0.2235 -0.2235 -0.1894 -0.1894 0.5971 0.5971 0.6315 0.6315 0.8483 0.8483 0.9547 0.9547 1.0964 1.0964 1.1165 1.1165 1.4784 1.4784 1.4801 1.4801 3.7625 3.7625 3.8807 3.8807 6.5728 6.5728 6.6570 6.6570 7.8151 7.8151 k =-0.2045 0.1361 0.1492 ( 11648 PWs) bands (ev): -11.6047 -11.6047 -11.6024 -11.6024 -9.8394 -9.8394 -9.8341 -9.8341 -5.1011 -5.1011 -5.0875 -5.0875 -4.8385 -4.8385 -4.8320 -4.8320 -3.5397 -3.5397 -3.5083 -3.5083 -3.1592 -3.1592 -3.1451 -3.1451 -2.9635 -2.9635 -2.9633 -2.9633 -1.7688 -1.7688 -1.7108 -1.7108 -0.2493 -0.2493 -0.2113 -0.2113 0.5604 0.5604 0.5907 0.5907 0.8379 0.8379 0.9396 0.9396 1.0739 1.0739 1.0930 1.0930 1.4617 1.4617 1.4629 1.4629 3.7613 3.7613 3.8798 3.8798 6.5832 6.5832 6.6758 6.6758 7.8264 7.8264 k =-0.2159 0.1437 0.1492 ( 11624 PWs) bands (ev): -11.6004 -11.6004 -11.5981 -11.5981 -9.8304 -9.8304 -9.8250 -9.8250 -5.0981 -5.0981 -5.0839 -5.0839 -4.8377 -4.8377 -4.8312 -4.8312 -3.5381 -3.5381 -3.5052 -3.5052 -3.1565 -3.1565 -3.1421 -3.1421 -2.9642 -2.9642 -2.9639 -2.9639 -1.7690 -1.7690 -1.7077 -1.7077 -0.2761 -0.2761 -0.2342 -0.2342 0.5236 0.5236 0.5501 0.5501 0.8274 0.8274 0.9237 0.9237 1.0515 1.0515 1.0699 1.0699 1.4471 1.4471 1.4473 1.4473 3.7569 3.7569 3.8754 3.8754 6.5890 6.5890 6.6888 6.6888 7.8348 7.8348 k =-0.2273 0.1512 0.1492 ( 11614 PWs) bands (ev): -11.5961 -11.5961 -11.5937 -11.5937 -9.8212 -9.8212 -9.8156 -9.8156 -5.0950 -5.0950 -5.0802 -5.0802 -4.8370 -4.8370 -4.8304 -4.8304 -3.5367 -3.5367 -3.5021 -3.5021 -3.1537 -3.1537 -3.1391 -3.1391 -2.9647 -2.9647 -2.9643 -2.9643 -1.7690 -1.7690 -1.7045 -1.7045 -0.3038 -0.3038 -0.2580 -0.2580 0.4873 0.4873 0.5103 0.5103 0.8163 0.8163 0.9065 0.9065 1.0296 1.0296 1.0476 1.0476 1.4334 1.4334 1.4344 1.4344 3.7496 3.7496 3.8673 3.8673 6.5906 6.5906 6.6961 6.6961 7.8405 7.8405 k =-0.2386 0.1588 0.1492 ( 11616 PWs) bands (ev): -11.5917 -11.5917 -11.5893 -11.5893 -9.8119 -9.8119 -9.8062 -9.8062 -5.0919 -5.0919 -5.0765 -5.0765 -4.8363 -4.8363 -4.8296 -4.8296 -3.5354 -3.5354 -3.4994 -3.4994 -3.1510 -3.1510 -3.1363 -3.1363 -2.9651 -2.9651 -2.9646 -2.9646 -1.7689 -1.7689 -1.7012 -1.7012 -0.3323 -0.3323 -0.2827 -0.2827 0.4517 0.4517 0.4714 0.4714 0.8044 0.8044 0.8878 0.8878 1.0086 1.0086 1.0269 1.0269 1.4211 1.4211 1.4234 1.4234 3.7392 3.7392 3.8559 3.8559 6.5887 6.5887 6.6983 6.6983 7.8435 7.8435 k =-0.2500 0.1663 0.1492 ( 11628 PWs) bands (ev): -11.5873 -11.5873 -11.5849 -11.5849 -9.8024 -9.8024 -9.7967 -9.7967 -5.0887 -5.0887 -5.0728 -5.0728 -4.8356 -4.8356 -4.8289 -4.8289 -3.5342 -3.5342 -3.4968 -3.4968 -3.1483 -3.1483 -3.1336 -3.1336 -2.9654 -2.9654 -2.9648 -2.9648 -1.7686 -1.7686 -1.6979 -1.6979 -0.3613 -0.3613 -0.3081 -0.3081 0.4171 0.4171 0.4337 0.4337 0.7916 0.7916 0.8674 0.8674 0.9890 0.9890 1.0082 1.0082 1.4102 1.4102 1.4140 1.4140 3.7260 3.7260 3.8412 3.8412 6.5835 6.5835 6.6958 6.6958 7.8443 7.8443 k =-0.2614 0.1739 0.1492 ( 11630 PWs) bands (ev): -11.5828 -11.5828 -11.5804 -11.5804 -9.7928 -9.7928 -9.7871 -9.7871 -5.0855 -5.0855 -5.0692 -5.0692 -4.8348 -4.8348 -4.8282 -4.8282 -3.5332 -3.5332 -3.4946 -3.4946 -3.1456 -3.1456 -3.1310 -3.1310 -2.9656 -2.9656 -2.9647 -2.9647 -1.7681 -1.7681 -1.6946 -1.6946 -0.3908 -0.3908 -0.3342 -0.3342 0.3837 0.3837 0.3975 0.3975 0.7774 0.7774 0.8454 0.8454 0.9712 0.9712 0.9916 0.9916 1.4005 1.4005 1.4058 1.4058 3.7102 3.7102 3.8235 3.8235 6.5758 6.5758 6.6891 6.6891 7.8429 7.8429 k =-0.2727 0.1815 0.1492 ( 11630 PWs) bands (ev): -11.5784 -11.5784 -11.5760 -11.5760 -9.7832 -9.7832 -9.7775 -9.7775 -5.0822 -5.0822 -5.0656 -5.0656 -4.8341 -4.8341 -4.8275 -4.8275 -3.5324 -3.5324 -3.4926 -3.4926 -3.1430 -3.1430 -3.1285 -3.1285 -2.9656 -2.9656 -2.9646 -2.9646 -1.7674 -1.7674 -1.6913 -1.6913 -0.4205 -0.4205 -0.3607 -0.3607 0.3518 0.3518 0.3630 0.3630 0.7620 0.7620 0.8221 0.8221 0.9553 0.9553 0.9770 0.9770 1.3921 1.3921 1.3988 1.3988 3.6921 3.6921 3.8030 3.8030 6.5659 6.5659 6.6790 6.6790 7.8395 7.8395 k =-0.2841 0.1890 0.1492 ( 11618 PWs) bands (ev): -11.5741 -11.5741 -11.5717 -11.5717 -9.7736 -9.7736 -9.7679 -9.7679 -5.0789 -5.0789 -5.0620 -5.0620 -4.8334 -4.8334 -4.8268 -4.8268 -3.5316 -3.5316 -3.4911 -3.4911 -3.1405 -3.1405 -3.1263 -3.1263 -2.9654 -2.9654 -2.9642 -2.9642 -1.7665 -1.7665 -1.6880 -1.6880 -0.4503 -0.4503 -0.3876 -0.3876 0.3214 0.3214 0.3303 0.3303 0.7454 0.7454 0.7980 0.7980 0.9414 0.9414 0.9643 0.9643 1.3847 1.3847 1.3928 1.3928 3.6719 3.6719 3.7802 3.7802 6.5543 6.5543 6.6658 6.6658 7.8345 7.8345 k =-0.2955 0.1966 0.1492 ( 11604 PWs) bands (ev): -11.5698 -11.5698 -11.5674 -11.5674 -9.7641 -9.7641 -9.7584 -9.7584 -5.0757 -5.0757 -5.0586 -5.0586 -4.8326 -4.8326 -4.8262 -4.8262 -3.5311 -3.5311 -3.4898 -3.4898 -3.1381 -3.1381 -3.1242 -3.1242 -2.9651 -2.9651 -2.9637 -2.9637 -1.7653 -1.7653 -1.6848 -1.6848 -0.4799 -0.4799 -0.4147 -0.4147 0.2929 0.2929 0.2996 0.2996 0.7277 0.7277 0.7734 0.7734 0.9294 0.9294 0.9530 0.9530 1.3783 1.3783 1.3876 1.3876 3.6501 3.6501 3.7554 3.7554 6.5413 6.5413 6.6502 6.6502 7.8278 7.8278 k =-0.3068 0.2042 0.1492 ( 11614 PWs) bands (ev): -11.5655 -11.5655 -11.5633 -11.5633 -9.7547 -9.7547 -9.7491 -9.7491 -5.0724 -5.0724 -5.0552 -5.0552 -4.8319 -4.8319 -4.8257 -4.8257 -3.5306 -3.5306 -3.4890 -3.4890 -3.1358 -3.1358 -3.1223 -3.1223 -2.9646 -2.9646 -2.9630 -2.9630 -1.7638 -1.7638 -1.6818 -1.6818 -0.5091 -0.5091 -0.4419 -0.4419 0.2661 0.2661 0.2709 0.2709 0.7093 0.7093 0.7488 0.7488 0.9192 0.9192 0.9430 0.9430 1.3727 1.3727 1.3832 1.3832 3.6271 3.6271 3.7289 3.7289 6.5272 6.5272 6.6327 6.6327 7.8198 7.8198 k =-0.3182 0.2117 0.1492 ( 11618 PWs) bands (ev): -11.5614 -11.5614 -11.5592 -11.5592 -9.7454 -9.7454 -9.7400 -9.7400 -5.0692 -5.0692 -5.0520 -5.0520 -4.8312 -4.8312 -4.8252 -4.8252 -3.5303 -3.5303 -3.4886 -3.4886 -3.1336 -3.1336 -3.1207 -3.1207 -2.9639 -2.9639 -2.9621 -2.9621 -1.7621 -1.7621 -1.6789 -1.6789 -0.5377 -0.5377 -0.4690 -0.4690 0.2413 0.2413 0.2442 0.2442 0.6905 0.6905 0.7247 0.7247 0.9104 0.9104 0.9339 0.9339 1.3679 1.3679 1.3793 1.3793 3.6031 3.6031 3.7012 3.7012 6.5123 6.5123 6.6135 6.6135 7.8108 7.8108 k =-0.3295 0.2193 0.1492 ( 11612 PWs) bands (ev): -11.5575 -11.5575 -11.5553 -11.5553 -9.7364 -9.7364 -9.7312 -9.7312 -5.0660 -5.0660 -5.0490 -5.0490 -4.8305 -4.8305 -4.8247 -4.8247 -3.5301 -3.5301 -3.4885 -3.4885 -3.1316 -3.1316 -3.1192 -3.1192 -2.9631 -2.9631 -2.9611 -2.9611 -1.7601 -1.7601 -1.6763 -1.6763 -0.5655 -0.5655 -0.4959 -0.4959 0.2183 0.2183 0.2197 0.2197 0.6717 0.6717 0.7013 0.7013 0.9029 0.9029 0.9256 0.9256 1.3638 1.3638 1.3760 1.3760 3.5787 3.5787 3.6727 3.6727 6.4970 6.4970 6.5933 6.5933 7.8008 7.8008 k =-0.3409 0.2268 0.1492 ( 11618 PWs) bands (ev): -11.5536 -11.5536 -11.5516 -11.5516 -9.7277 -9.7277 -9.7226 -9.7226 -5.0629 -5.0629 -5.0462 -5.0462 -4.8299 -4.8299 -4.8243 -4.8243 -3.5299 -3.5299 -3.4888 -3.4888 -3.1297 -3.1297 -3.1179 -3.1179 -2.9621 -2.9621 -2.9599 -2.9599 -1.7577 -1.7577 -1.6740 -1.6740 -0.5923 -0.5923 -0.5223 -0.5223 0.1972 0.1972 0.1973 0.1973 0.6533 0.6533 0.6788 0.6788 0.8963 0.8963 0.9179 0.9179 1.3603 1.3603 1.3730 1.3730 3.5541 3.5541 3.6437 3.6437 6.4814 6.4814 6.5723 6.5723 7.7901 7.7901 k =-0.3523 0.2344 0.1492 ( 11618 PWs) bands (ev): -11.5499 -11.5499 -11.5480 -11.5480 -9.7193 -9.7193 -9.7144 -9.7144 -5.0598 -5.0598 -5.0435 -5.0435 -4.8292 -4.8292 -4.8239 -4.8239 -3.5298 -3.5298 -3.4895 -3.4895 -3.1279 -3.1279 -3.1169 -3.1169 -2.9610 -2.9610 -2.9587 -2.9587 -1.7550 -1.7550 -1.6720 -1.6720 -0.6178 -0.6178 -0.5482 -0.5482 0.1768 0.1768 0.1781 0.1781 0.6355 0.6355 0.6575 0.6575 0.8906 0.8906 0.9108 0.9108 1.3573 1.3573 1.3703 1.3703 3.5299 3.5299 3.6147 3.6147 6.4659 6.4659 6.5509 6.5509 7.7791 7.7791 k =-0.3636 0.2420 0.1492 ( 11622 PWs) bands (ev): -11.5465 -11.5465 -11.5446 -11.5446 -9.7112 -9.7112 -9.7066 -9.7066 -5.0569 -5.0569 -5.0411 -5.0411 -4.8286 -4.8286 -4.8236 -4.8236 -3.5296 -3.5296 -3.4906 -3.4906 -3.1263 -3.1263 -3.1160 -3.1160 -2.9597 -2.9597 -2.9573 -2.9573 -1.7521 -1.7521 -1.6705 -1.6705 -0.6419 -0.6419 -0.5733 -0.5733 0.1584 0.1584 0.1607 0.1607 0.6185 0.6185 0.6376 0.6376 0.8855 0.8855 0.9041 0.9041 1.3548 1.3548 1.3679 1.3679 3.5062 3.5062 3.5860 3.5860 6.4505 6.4505 6.5295 6.5295 7.7678 7.7678 k =-0.3750 0.2495 0.1492 ( 11622 PWs) bands (ev): -11.5432 -11.5432 -11.5414 -11.5414 -9.7036 -9.7036 -9.6993 -9.6993 -5.0540 -5.0540 -5.0389 -5.0389 -4.8279 -4.8279 -4.8233 -4.8233 -3.5294 -3.5294 -3.4920 -3.4920 -3.1248 -3.1248 -3.1153 -3.1153 -2.9583 -2.9583 -2.9559 -2.9559 -1.7487 -1.7487 -1.6695 -1.6695 -0.6643 -0.6643 -0.5975 -0.5975 0.1418 0.1418 0.1449 0.1449 0.6026 0.6026 0.6191 0.6191 0.8810 0.8810 0.8979 0.8979 1.3528 1.3528 1.3657 1.3657 3.4836 3.4836 3.5580 3.5580 6.4357 6.4357 6.5083 6.5083 7.7566 7.7566 k =-0.3864 0.2571 0.1492 ( 11610 PWs) bands (ev): -11.5401 -11.5401 -11.5385 -11.5385 -9.6964 -9.6964 -9.6924 -9.6924 -5.0512 -5.0512 -5.0370 -5.0370 -4.8273 -4.8273 -4.8231 -4.8231 -3.5292 -3.5292 -3.4937 -3.4937 -3.1234 -3.1234 -3.1148 -3.1148 -2.9569 -2.9569 -2.9545 -2.9545 -1.7451 -1.7451 -1.6691 -1.6691 -0.6848 -0.6848 -0.6206 -0.6206 0.1272 0.1272 0.1309 0.1309 0.5880 0.5880 0.6021 0.6021 0.8769 0.8769 0.8921 0.8921 1.3510 1.3510 1.3637 1.3637 3.4622 3.4622 3.5310 3.5310 6.4215 6.4215 6.4877 6.4877 7.7457 7.7457 k =-0.3977 0.2646 0.1492 ( 11614 PWs) bands (ev): -11.5373 -11.5373 -11.5358 -11.5358 -9.6898 -9.6898 -9.6861 -9.6861 -5.0486 -5.0486 -5.0353 -5.0353 -4.8268 -4.8268 -4.8229 -4.8229 -3.5289 -3.5289 -3.4956 -3.4956 -3.1222 -3.1222 -3.1144 -3.1144 -2.9554 -2.9554 -2.9530 -2.9530 -1.7412 -1.7412 -1.6692 -1.6692 -0.7034 -0.7034 -0.6425 -0.6425 0.1143 0.1143 0.1184 0.1184 0.5746 0.5746 0.5867 0.5867 0.8732 0.8732 0.8867 0.8867 1.3497 1.3497 1.3617 1.3617 3.4425 3.4425 3.5052 3.5052 6.4083 6.4083 6.4678 6.4678 7.7352 7.7352 k =-0.4091 0.2722 0.1492 ( 11622 PWs) bands (ev): -11.5347 -11.5347 -11.5334 -11.5334 -9.6837 -9.6837 -9.6804 -9.6804 -5.0460 -5.0460 -5.0339 -5.0339 -4.8262 -4.8262 -4.8227 -4.8227 -3.5284 -3.5284 -3.4978 -3.4978 -3.1211 -3.1211 -3.1141 -3.1141 -2.9540 -2.9540 -2.9517 -2.9517 -1.7369 -1.7369 -1.6700 -1.6700 -0.7197 -0.7197 -0.6630 -0.6630 0.1031 0.1031 0.1073 0.1073 0.5626 0.5626 0.5729 0.5729 0.8700 0.8700 0.8817 0.8817 1.3486 1.3486 1.3598 1.3598 3.4245 3.4245 3.4811 3.4811 6.3962 6.3962 6.4491 6.4491 7.7254 7.7254 k =-0.4205 0.2798 0.1492 ( 11616 PWs) bands (ev): -11.5324 -11.5324 -11.5312 -11.5312 -9.6782 -9.6782 -9.6752 -9.6752 -5.0437 -5.0437 -5.0327 -5.0327 -4.8257 -4.8257 -4.8226 -4.8226 -3.5277 -3.5277 -3.5001 -3.5001 -3.1201 -3.1201 -3.1140 -3.1140 -2.9525 -2.9525 -2.9504 -2.9504 -1.7324 -1.7324 -1.6714 -1.6714 -0.7338 -0.7338 -0.6820 -0.6820 0.0934 0.0934 0.0977 0.0977 0.5521 0.5521 0.5607 0.5607 0.8671 0.8671 0.8772 0.8772 1.3478 1.3478 1.3581 1.3581 3.4087 3.4087 3.4587 3.4587 6.3854 6.3854 6.4316 6.4316 7.7164 7.7164 k =-0.4318 0.2873 0.1492 ( 11616 PWs) bands (ev): -11.5303 -11.5303 -11.5293 -11.5293 -9.6733 -9.6733 -9.6707 -9.6707 -5.0415 -5.0415 -5.0318 -5.0318 -4.8253 -4.8253 -4.8226 -4.8226 -3.5269 -3.5269 -3.5026 -3.5026 -3.1192 -3.1192 -3.1140 -3.1140 -2.9512 -2.9512 -2.9492 -2.9492 -1.7277 -1.7277 -1.6735 -1.6735 -0.7454 -0.7454 -0.6995 -0.6995 0.0854 0.0854 0.0893 0.0893 0.5430 0.5430 0.5502 0.5502 0.8646 0.8646 0.8731 0.8731 1.3472 1.3472 1.3564 1.3564 3.3951 3.3951 3.4384 3.4384 6.3761 6.3761 6.4157 6.4157 7.7084 7.7084 k =-0.4432 0.2949 0.1492 ( 11624 PWs) bands (ev): -11.5286 -11.5286 -11.5277 -11.5277 -9.6691 -9.6691 -9.6669 -9.6669 -5.0394 -5.0394 -5.0313 -5.0313 -4.8248 -4.8248 -4.8226 -4.8226 -3.5259 -3.5259 -3.5051 -3.5051 -3.1184 -3.1184 -3.1141 -3.1141 -2.9499 -2.9499 -2.9482 -2.9482 -1.7227 -1.7227 -1.6761 -1.6761 -0.7547 -0.7547 -0.7151 -0.7151 0.0787 0.0787 0.0823 0.0823 0.5354 0.5354 0.5413 0.5413 0.8625 0.8625 0.8694 0.8694 1.3469 1.3469 1.3548 1.3548 3.3839 3.3839 3.4203 3.4203 6.3684 6.3684 6.4013 6.4013 7.7015 7.7015 k =-0.4545 0.3024 0.1492 ( 11616 PWs) bands (ev): -11.5271 -11.5271 -11.5264 -11.5264 -9.6656 -9.6656 -9.6638 -9.6638 -5.0376 -5.0376 -5.0309 -5.0309 -4.8244 -4.8244 -4.8226 -4.8226 -3.5246 -3.5246 -3.5077 -3.5077 -3.1177 -3.1177 -3.1142 -3.1142 -2.9488 -2.9488 -2.9473 -2.9473 -1.7176 -1.7176 -1.6794 -1.6794 -0.7614 -0.7614 -0.7290 -0.7290 0.0734 0.0734 0.0765 0.0765 0.5294 0.5294 0.5339 0.5339 0.8608 0.8608 0.8663 0.8663 1.3468 1.3468 1.3533 1.3533 3.3752 3.3752 3.4046 3.4046 6.3625 6.3625 6.3888 6.3888 7.6958 7.6958 k =-0.4659 0.3100 0.1492 ( 11612 PWs) bands (ev): -11.5259 -11.5259 -11.5254 -11.5254 -9.6628 -9.6628 -9.6614 -9.6614 -5.0360 -5.0360 -5.0309 -5.0309 -4.8240 -4.8240 -4.8227 -4.8227 -3.5231 -3.5231 -3.5103 -3.5103 -3.1171 -3.1171 -3.1144 -3.1144 -2.9478 -2.9478 -2.9467 -2.9467 -1.7124 -1.7124 -1.6831 -1.6831 -0.7657 -0.7657 -0.7408 -0.7408 0.0695 0.0695 0.0719 0.0719 0.5248 0.5248 0.5282 0.5282 0.8597 0.8597 0.8637 0.8637 1.3469 1.3469 1.3519 1.3519 3.3692 3.3692 3.3914 3.3914 6.3586 6.3586 6.3783 6.3783 7.6915 7.6915 k =-0.4773 0.3176 0.1492 ( 11616 PWs) bands (ev): -11.5251 -11.5251 -11.5247 -11.5247 -9.6607 -9.6607 -9.6598 -9.6598 -5.0345 -5.0345 -5.0311 -5.0311 -4.8237 -4.8237 -4.8228 -4.8228 -3.5215 -3.5215 -3.5128 -3.5128 -3.1165 -3.1165 -3.1147 -3.1147 -2.9470 -2.9470 -2.9463 -2.9463 -1.7071 -1.7071 -1.6873 -1.6873 -0.7674 -0.7674 -0.7506 -0.7506 0.0669 0.0669 0.0685 0.0685 0.5217 0.5217 0.5239 0.5239 0.8590 0.8590 0.8617 0.8617 1.3473 1.3473 1.3506 1.3506 3.3660 3.3660 3.3808 3.3808 6.3566 6.3566 6.3697 6.3697 7.6885 7.6885 k =-0.4886 0.3251 0.1492 ( 11610 PWs) bands (ev): -11.5245 -11.5245 -11.5243 -11.5243 -9.6593 -9.6593 -9.6589 -9.6589 -5.0333 -5.0333 -5.0316 -5.0316 -4.8234 -4.8234 -4.8230 -4.8230 -3.5195 -3.5195 -3.5152 -3.5152 -3.1160 -3.1160 -3.1151 -3.1151 -2.9465 -2.9465 -2.9461 -2.9461 -1.7019 -1.7019 -1.6919 -1.6919 -0.7667 -0.7667 -0.7583 -0.7583 0.0655 0.0655 0.0663 0.0663 0.5200 0.5200 0.5211 0.5211 0.8588 0.8588 0.8602 0.8602 1.3478 1.3478 1.3495 1.3495 3.3655 3.3655 3.3729 3.3729 6.3567 6.3567 6.3632 6.3632 7.6870 7.6870 k =-0.5000 0.3327 0.1492 ( 11620 PWs) bands (ev): -11.5243 -11.5243 -11.5243 -11.5243 -9.6587 -9.6587 -9.6587 -9.6587 -5.0323 -5.0323 -5.0323 -5.0323 -4.8232 -4.8232 -4.8232 -4.8232 -3.5175 -3.5175 -3.5175 -3.5175 -3.1155 -3.1155 -3.1155 -3.1155 -2.9462 -2.9462 -2.9462 -2.9462 -1.6968 -1.6968 -1.6968 -1.6968 -0.7637 -0.7637 -0.7637 -0.7637 0.0653 0.0653 0.0653 0.0653 0.5198 0.5198 0.5198 0.5198 0.8592 0.8592 0.8592 0.8592 1.3486 1.3486 1.3486 1.3486 3.3678 3.3678 3.3678 3.3678 6.3589 6.3589 6.3589 6.3589 7.6871 7.6871 Writing output data file HgIBr.save init_run : 4.63s CPU 13.74s WALL ( 1 calls) electrons : 1855.63s CPU 1875.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.53s CPU 1.66s WALL ( 1 calls) Called by electrons: c_bands : 1855.59s CPU 1874.59s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.04s WALL ( 1 calls) v_xc : 0.10s CPU 0.63s WALL ( 1 calls) newd : 0.82s CPU 0.85s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.24s WALL ( 328 calls) cegterg : 1775.99s CPU 1791.89s WALL ( 824 calls) Called by sum_band: Called by *egterg: h_psi : 859.59s CPU 870.67s WALL ( 15462 calls) s_psi : 58.78s CPU 59.09s WALL ( 15462 calls) g_psi : 3.29s CPU 3.20s WALL ( 14310 calls) cdiaghg : 500.74s CPU 497.26s WALL ( 14638 calls) cegterg:over : 189.62s CPU 187.42s WALL ( 14310 calls) cegterg:upda : 77.38s CPU 81.79s WALL ( 14310 calls) cegterg:last : 57.92s CPU 59.05s WALL ( 2767 calls) Called by h_psi: h_psi:vloc : 712.08s CPU 719.59s WALL ( 15462 calls) h_psi:vnl : 143.94s CPU 145.88s WALL ( 15462 calls) add_vuspsi : 49.99s CPU 55.39s WALL ( 15462 calls) General routines calbec : 93.88s CPU 90.35s WALL ( 15462 calls) fft : 0.53s CPU 1.51s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 667.33s CPU 672.99s WALL ( 2047088 calls) interpolate : 0.18s CPU 0.18s WALL ( 4 calls) davcio : 0.03s CPU 2.46s WALL ( 656 calls) Parallel routines fft_scatter : 422.16s CPU 424.88s WALL ( 2047111 calls) PWSCF : 32m38.89s CPU 35m50.46s WALL This run was terminated on: 1:37:35 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=