Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:26: 4 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./BexH3Cx2.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 293 109 30 12018 2706 400 Max 294 110 31 12021 2736 402 Sum 10575 3939 1097 432701 98105 14427 bravais-lattice index = 14 lattice parameter (alat) = 12.9550 a.u. unit-cell volume = 996.8563 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.954971 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.814114 celldm(5)= -0.600225 celldm(6)= 0.414339 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.414339 0.910123 0.000000 ) a(3) = ( -0.600225 -0.621254 0.503759 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.455256 0.630054 ) b(2) = ( 0.000000 1.098753 1.355021 ) b(3) = ( 0.000000 0.000000 1.985074 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Be 4.00 9.01220 Be( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( -0.0065781 0.0102224 0.0178269), wk = 0.0029499 k( 3) = ( -0.0131562 0.0204448 0.0356537), wk = 0.0029499 k( 4) = ( -0.0197342 0.0306672 0.0534806), wk = 0.0029499 k( 5) = ( -0.0263123 0.0408896 0.0713075), wk = 0.0029499 k( 6) = ( -0.0328904 0.0511120 0.0891343), wk = 0.0029499 k( 7) = ( -0.0394685 0.0613344 0.1069612), wk = 0.0029499 k( 8) = ( -0.0460466 0.0715567 0.1247881), wk = 0.0029499 k( 9) = ( -0.0526246 0.0817791 0.1426149), wk = 0.0029499 k( 10) = ( -0.0592027 0.0920015 0.1604418), wk = 0.0029499 k( 11) = ( -0.0657808 0.1022239 0.1782687), wk = 0.0029499 k( 12) = ( -0.0723589 0.1124463 0.1960955), wk = 0.0029499 k( 13) = ( -0.0789370 0.1226687 0.2139224), wk = 0.0029499 k( 14) = ( -0.0855150 0.1328911 0.2317493), wk = 0.0029499 k( 15) = ( -0.0920931 0.1431135 0.2495762), wk = 0.0029499 k( 16) = ( -0.0986712 0.1533359 0.2674030), wk = 0.0029499 k( 17) = ( -0.1052493 0.1635583 0.2852299), wk = 0.0029499 k( 18) = ( -0.1118274 0.1737807 0.3030568), wk = 0.0029499 k( 19) = ( -0.1184054 0.1840031 0.3208837), wk = 0.0029499 k( 20) = ( -0.1249835 0.1942255 0.3387105), wk = 0.0029499 k( 21) = ( -0.1315616 0.2044479 0.3565374), wk = 0.0029499 k( 22) = ( -0.1381397 0.2146703 0.3743643), wk = 0.0029499 k( 23) = ( -0.1447178 0.2248927 0.3921911), wk = 0.0029499 k( 24) = ( -0.1512959 0.2351150 0.4100180), wk = 0.0029499 k( 25) = ( -0.1578739 0.2453374 0.4278449), wk = 0.0029499 k( 26) = ( -0.1644520 0.2555598 0.4456717), wk = 0.0029499 k( 27) = ( -0.1710301 0.2657822 0.4634986), wk = 0.0029499 k( 28) = ( -0.1776082 0.2760046 0.4813255), wk = 0.0029499 k( 29) = ( -0.1841862 0.2862270 0.4991523), wk = 0.0029499 k( 30) = ( -0.1907643 0.2964494 0.5169792), wk = 0.0029499 k( 31) = ( -0.1973424 0.3066718 0.5348061), wk = 0.0029499 k( 32) = ( -0.2039205 0.3168942 0.5526329), wk = 0.0029499 k( 33) = ( -0.2104986 0.3271166 0.5704598), wk = 0.0029499 k( 34) = ( -0.2170767 0.3373390 0.5882867), wk = 0.0029499 k( 35) = ( -0.2236547 0.3475614 0.6061135), wk = 0.0029499 k( 36) = ( -0.2302328 0.3577838 0.6239404), wk = 0.0029499 k( 37) = ( -0.2368109 0.3680062 0.6417673), wk = 0.0029499 k( 38) = ( -0.2433890 0.3782286 0.6595942), wk = 0.0029499 k( 39) = ( -0.2499671 0.3884510 0.6774210), wk = 0.0029499 k( 40) = ( -0.2565451 0.3986733 0.6952479), wk = 0.0029499 k( 41) = ( -0.2631232 0.4088957 0.7130748), wk = 0.0029499 k( 42) = ( -0.2697013 0.4191181 0.7309016), wk = 0.0029499 k( 43) = ( -0.2762794 0.4293405 0.7487285), wk = 0.0029499 k( 44) = ( -0.2828575 0.4395629 0.7665554), wk = 0.0029499 k( 45) = ( -0.2828575 0.4395629 0.7665554), wk = 0.0029499 k( 46) = ( -0.2734188 0.4248951 0.7784492), wk = 0.0029499 k( 47) = ( -0.2639801 0.4102273 0.7903429), wk = 0.0029499 k( 48) = ( -0.2545413 0.3955594 0.8022367), wk = 0.0029499 k( 49) = ( -0.2451027 0.3808916 0.8141305), wk = 0.0029499 k( 50) = ( -0.2356640 0.3662238 0.8260243), wk = 0.0029499 k( 51) = ( -0.2262252 0.3515560 0.8379180), wk = 0.0029499 k( 52) = ( -0.2167865 0.3368882 0.8498118), wk = 0.0029499 k( 53) = ( -0.2073479 0.3222203 0.8617056), wk = 0.0029499 k( 54) = ( -0.1979091 0.3075525 0.8735994), wk = 0.0029499 k( 55) = ( -0.1884704 0.2928847 0.8854931), wk = 0.0029499 k( 56) = ( -0.1790317 0.2782169 0.8973869), wk = 0.0029499 k( 57) = ( -0.1695930 0.2635490 0.9092807), wk = 0.0029499 k( 58) = ( -0.1601543 0.2488812 0.9211745), wk = 0.0029499 k( 59) = ( -0.1507156 0.2342134 0.9330682), wk = 0.0029499 k( 60) = ( -0.1412769 0.2195456 0.9449620), wk = 0.0029499 k( 61) = ( -0.1318382 0.2048777 0.9568558), wk = 0.0029499 k( 62) = ( -0.1223995 0.1902099 0.9687496), wk = 0.0029499 k( 63) = ( -0.1129608 0.1755421 0.9806433), wk = 0.0029499 k( 64) = ( -0.1035221 0.1608743 0.9925371), wk = 0.0029499 k( 65) = ( -0.1035221 0.1608743 0.9925371), wk = 0.0029499 k( 66) = ( -0.0920197 0.1429994 0.9925371), wk = 0.0029499 k( 67) = ( -0.0805172 0.1251244 0.9925371), wk = 0.0029499 k( 68) = ( -0.0690147 0.1072495 0.9925371), wk = 0.0029499 k( 69) = ( -0.0575123 0.0893746 0.9925371), wk = 0.0029499 k( 70) = ( -0.0460098 0.0714997 0.9925371), wk = 0.0029499 k( 71) = ( -0.0345074 0.0536248 0.9925371), wk = 0.0029499 k( 72) = ( -0.0230049 0.0357498 0.9925371), wk = 0.0029499 k( 73) = ( -0.0115025 0.0178749 0.9925371), wk = 0.0029499 k( 74) = ( 0.0000000 0.0000000 0.9925371), wk = 0.0029499 k( 75) = ( 0.0000000 0.0000000 0.9925371), wk = 0.0029499 k( 76) = ( 0.0178571 0.0114910 0.9925371), wk = 0.0029499 k( 77) = ( 0.0357143 0.0229820 0.9925371), wk = 0.0029499 k( 78) = ( 0.0535714 0.0344731 0.9925371), wk = 0.0029499 k( 79) = ( 0.0714286 0.0459641 0.9925371), wk = 0.0029499 k( 80) = ( 0.0892857 0.0574551 0.9925371), wk = 0.0029499 k( 81) = ( 0.1071429 0.0689461 0.9925371), wk = 0.0029499 k( 82) = ( 0.1250000 0.0804371 0.9925371), wk = 0.0029499 k( 83) = ( 0.1428571 0.0919282 0.9925371), wk = 0.0029499 k( 84) = ( 0.1607143 0.1034192 0.9925371), wk = 0.0029499 k( 85) = ( 0.1785714 0.1149102 0.9925371), wk = 0.0029499 k( 86) = ( 0.1964286 0.1264012 0.9925371), wk = 0.0029499 k( 87) = ( 0.2142857 0.1378922 0.9925371), wk = 0.0029499 k( 88) = ( 0.2321429 0.1493833 0.9925371), wk = 0.0029499 k( 89) = ( 0.2500000 0.1608743 0.9925371), wk = 0.0029499 k( 90) = ( 0.2500000 0.1608743 0.9925371), wk = 0.0029499 k( 91) = ( 0.2403846 0.1758167 0.9804207), wk = 0.0029499 k( 92) = ( 0.2307692 0.1907591 0.9683043), wk = 0.0029499 k( 93) = ( 0.2211539 0.2057014 0.9561879), wk = 0.0029499 k( 94) = ( 0.2115385 0.2206438 0.9440715), wk = 0.0029499 k( 95) = ( 0.2019231 0.2355862 0.9319550), wk = 0.0029499 k( 96) = ( 0.1923077 0.2505286 0.9198386), wk = 0.0029499 k( 97) = ( 0.1826923 0.2654710 0.9077222), wk = 0.0029499 k( 98) = ( 0.1730769 0.2804134 0.8956058), wk = 0.0029499 k( 99) = ( 0.1634615 0.2953558 0.8834894), wk = 0.0029499 k( 100) = ( 0.1538461 0.3102982 0.8713730), wk = 0.0029499 k( 101) = ( 0.1442308 0.3252406 0.8592565), wk = 0.0029499 k( 102) = ( 0.1346154 0.3401830 0.8471401), wk = 0.0029499 k( 103) = ( 0.1250000 0.3551253 0.8350237), wk = 0.0029499 k( 104) = ( 0.1153846 0.3700677 0.8229073), wk = 0.0029499 k( 105) = ( 0.1057692 0.3850101 0.8107909), wk = 0.0029499 k( 106) = ( 0.0961538 0.3999525 0.7986745), wk = 0.0029499 k( 107) = ( 0.0865385 0.4148949 0.7865580), wk = 0.0029499 k( 108) = ( 0.0769231 0.4298373 0.7744416), wk = 0.0029499 k( 109) = ( 0.0673077 0.4447797 0.7623252), wk = 0.0029499 k( 110) = ( 0.0576923 0.4597221 0.7502088), wk = 0.0029499 k( 111) = ( 0.0480769 0.4746645 0.7380924), wk = 0.0029499 k( 112) = ( 0.0384615 0.4896069 0.7259760), wk = 0.0029499 k( 113) = ( 0.0288462 0.5045493 0.7138595), wk = 0.0029499 k( 114) = ( 0.0192308 0.5194916 0.7017431), wk = 0.0029499 k( 115) = ( 0.0096154 0.5344340 0.6896267), wk = 0.0029499 k( 116) = ( 0.0000000 0.5493764 0.6775103), wk = 0.0029499 k( 117) = ( 0.0000000 0.5493764 0.6775103), wk = 0.0029499 k( 118) = ( 0.0188572 0.5566973 0.6715740), wk = 0.0029499 k( 119) = ( 0.0377143 0.5640182 0.6656376), wk = 0.0029499 k( 120) = ( 0.0565715 0.5713391 0.6597013), wk = 0.0029499 k( 121) = ( 0.0754287 0.5786600 0.6537650), wk = 0.0029499 k( 122) = ( 0.0942858 0.5859809 0.6478286), wk = 0.0029499 k( 123) = ( 0.1131430 0.5933018 0.6418923), wk = 0.0029499 k( 124) = ( 0.1320002 0.6006227 0.6359559), wk = 0.0029499 k( 125) = ( 0.1508573 0.6079436 0.6300196), wk = 0.0029499 k( 126) = ( 0.1697145 0.6152645 0.6240833), wk = 0.0029499 k( 127) = ( 0.1885716 0.6225854 0.6181469), wk = 0.0029499 k( 128) = ( 0.2074288 0.6299063 0.6122106), wk = 0.0029499 k( 129) = ( 0.2262860 0.6372272 0.6062742), wk = 0.0029499 k( 130) = ( 0.2451431 0.6445481 0.6003379), wk = 0.0029499 k( 131) = ( 0.2640003 0.6518690 0.5944016), wk = 0.0029499 k( 132) = ( 0.2828575 0.6591899 0.5884652), wk = 0.0029499 k( 133) = ( 0.2828575 0.6591899 0.5884652), wk = 0.0029499 k( 134) = ( 0.2894375 0.6489644 0.5706330), wk = 0.0029499 k( 135) = ( 0.2960176 0.6387389 0.5528007), wk = 0.0029499 k( 136) = ( 0.3025977 0.6285134 0.5349684), wk = 0.0029499 k( 137) = ( 0.3091778 0.6182879 0.5171361), wk = 0.0029499 k( 138) = ( 0.3157578 0.6080624 0.4993038), wk = 0.0029499 k( 139) = ( 0.3223379 0.5978369 0.4814716), wk = 0.0029499 k( 140) = ( 0.3289180 0.5876114 0.4636393), wk = 0.0029499 k( 141) = ( 0.3354981 0.5773860 0.4458070), wk = 0.0029499 k( 142) = ( 0.3420782 0.5671605 0.4279747), wk = 0.0029499 k( 143) = ( 0.3486582 0.5569350 0.4101424), wk = 0.0029499 k( 144) = ( 0.3552383 0.5467095 0.3923101), wk = 0.0029499 k( 145) = ( 0.3618184 0.5364840 0.3744779), wk = 0.0029499 k( 146) = ( 0.3683985 0.5262585 0.3566456), wk = 0.0029499 k( 147) = ( 0.3749785 0.5160330 0.3388133), wk = 0.0029499 k( 148) = ( 0.3815586 0.5058075 0.3209810), wk = 0.0029499 k( 149) = ( 0.3881387 0.4955820 0.3031488), wk = 0.0029499 k( 150) = ( 0.3947188 0.4853565 0.2853165), wk = 0.0029499 k( 151) = ( 0.4012988 0.4751310 0.2674842), wk = 0.0029499 k( 152) = ( 0.4078789 0.4649055 0.2496519), wk = 0.0029499 k( 153) = ( 0.4144590 0.4546800 0.2318196), wk = 0.0029499 k( 154) = ( 0.4210391 0.4444545 0.2139873), wk = 0.0029499 k( 155) = ( 0.4276192 0.4342290 0.1961551), wk = 0.0029499 k( 156) = ( 0.4341992 0.4240035 0.1783228), wk = 0.0029499 k( 157) = ( 0.4407793 0.4137780 0.1604905), wk = 0.0029499 k( 158) = ( 0.4473594 0.4035525 0.1426583), wk = 0.0029499 k( 159) = ( 0.4539395 0.3933270 0.1248260), wk = 0.0029499 k( 160) = ( 0.4605195 0.3831015 0.1069937), wk = 0.0029499 k( 161) = ( 0.4670996 0.3728760 0.0891614), wk = 0.0029499 k( 162) = ( 0.4736797 0.3626505 0.0713291), wk = 0.0029499 k( 163) = ( 0.4802598 0.3524250 0.0534968), wk = 0.0029499 k( 164) = ( 0.4868399 0.3421995 0.0356645), wk = 0.0029499 k( 165) = ( 0.4934199 0.3319740 0.0178323), wk = 0.0029499 k( 166) = ( 0.5000000 0.3217485 0.0000000), wk = 0.0029499 k( 167) = ( 0.5000000 0.3217485 0.0000000), wk = 0.0029499 k( 168) = ( 0.4821429 0.3102575 0.0000000), wk = 0.0029499 k( 169) = ( 0.4642857 0.2987665 0.0000000), wk = 0.0029499 k( 170) = ( 0.4464286 0.2872755 0.0000000), wk = 0.0029499 k( 171) = ( 0.4285714 0.2757845 0.0000000), wk = 0.0029499 k( 172) = ( 0.4107143 0.2642935 0.0000000), wk = 0.0029499 k( 173) = ( 0.3928571 0.2528024 0.0000000), wk = 0.0029499 k( 174) = ( 0.3750000 0.2413114 0.0000000), wk = 0.0029499 k( 175) = ( 0.3571429 0.2298204 0.0000000), wk = 0.0029499 k( 176) = ( 0.3392857 0.2183294 0.0000000), wk = 0.0029499 k( 177) = ( 0.3214286 0.2068384 0.0000000), wk = 0.0029499 k( 178) = ( 0.3035714 0.1953473 0.0000000), wk = 0.0029499 k( 179) = ( 0.2857143 0.1838563 0.0000000), wk = 0.0029499 k( 180) = ( 0.2678571 0.1723653 0.0000000), wk = 0.0029499 k( 181) = ( 0.2500000 0.1608743 0.0000000), wk = 0.0029499 k( 182) = ( 0.2321429 0.1493833 0.0000000), wk = 0.0029499 k( 183) = ( 0.2142857 0.1378922 0.0000000), wk = 0.0029499 k( 184) = ( 0.1964286 0.1264012 0.0000000), wk = 0.0029499 k( 185) = ( 0.1785714 0.1149102 0.0000000), wk = 0.0029499 k( 186) = ( 0.1607143 0.1034192 0.0000000), wk = 0.0029499 k( 187) = ( 0.1428571 0.0919282 0.0000000), wk = 0.0029499 k( 188) = ( 0.1250000 0.0804371 0.0000000), wk = 0.0029499 k( 189) = ( 0.1071429 0.0689461 0.0000000), wk = 0.0029499 k( 190) = ( 0.0892857 0.0574551 0.0000000), wk = 0.0029499 k( 191) = ( 0.0714286 0.0459641 0.0000000), wk = 0.0029499 k( 192) = ( 0.0535714 0.0344731 0.0000000), wk = 0.0029499 k( 193) = ( 0.0357143 0.0229820 0.0000000), wk = 0.0029499 k( 194) = ( 0.0178571 0.0114910 0.0000000), wk = 0.0029499 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 197) = ( 0.0097171 -0.0151005 0.0122446), wk = 0.0029499 k( 198) = ( 0.0194342 -0.0302009 0.0244892), wk = 0.0029499 k( 199) = ( 0.0291513 -0.0453014 0.0367338), wk = 0.0029499 k( 200) = ( 0.0388684 -0.0604019 0.0489784), wk = 0.0029499 k( 201) = ( 0.0485856 -0.0755024 0.0612230), wk = 0.0029499 k( 202) = ( 0.0583027 -0.0906028 0.0734676), wk = 0.0029499 k( 203) = ( 0.0680198 -0.1057033 0.0857122), wk = 0.0029499 k( 204) = ( 0.0777369 -0.1208038 0.0979568), wk = 0.0029499 k( 205) = ( 0.0874540 -0.1359043 0.1102014), wk = 0.0029499 k( 206) = ( 0.0971711 -0.1510047 0.1224460), wk = 0.0029499 k( 207) = ( 0.1068882 -0.1661052 0.1346906), wk = 0.0029499 k( 208) = ( 0.1166053 -0.1812057 0.1469352), wk = 0.0029499 k( 209) = ( 0.1263225 -0.1963062 0.1591798), wk = 0.0029499 k( 210) = ( 0.1360396 -0.2114066 0.1714244), wk = 0.0029499 k( 211) = ( 0.1457567 -0.2265071 0.1836690), wk = 0.0029499 k( 212) = ( 0.1554738 -0.2416076 0.1959136), wk = 0.0029499 k( 213) = ( 0.1651909 -0.2567081 0.2081582), wk = 0.0029499 k( 214) = ( 0.1749080 -0.2718085 0.2204028), wk = 0.0029499 k( 215) = ( 0.1846251 -0.2869090 0.2326474), wk = 0.0029499 k( 216) = ( 0.1943422 -0.3020095 0.2448921), wk = 0.0029499 k( 217) = ( 0.2040593 -0.3171100 0.2571367), wk = 0.0029499 k( 218) = ( 0.2137765 -0.3322104 0.2693813), wk = 0.0029499 k( 219) = ( 0.2234936 -0.3473109 0.2816259), wk = 0.0029499 k( 220) = ( 0.2332107 -0.3624114 0.2938705), wk = 0.0029499 k( 221) = ( 0.2429278 -0.3775118 0.3061151), wk = 0.0029499 k( 222) = ( 0.2526449 -0.3926123 0.3183597), wk = 0.0029499 k( 223) = ( 0.2623620 -0.4077128 0.3306043), wk = 0.0029499 k( 224) = ( 0.2720791 -0.4228133 0.3428489), wk = 0.0029499 k( 225) = ( 0.2817962 -0.4379138 0.3550935), wk = 0.0029499 k( 226) = ( 0.2915133 -0.4530142 0.3673381), wk = 0.0029499 k( 227) = ( 0.3012304 -0.4681147 0.3795827), wk = 0.0029499 k( 228) = ( 0.3109476 -0.4832152 0.3918273), wk = 0.0029499 k( 229) = ( 0.3206647 -0.4983156 0.4040719), wk = 0.0029499 k( 230) = ( 0.3206647 -0.4983156 0.4040719), wk = 0.0029499 k( 231) = ( 0.3318731 -0.4813977 0.3985066), wk = 0.0029499 k( 232) = ( 0.3430816 -0.4644797 0.3929412), wk = 0.0029499 k( 233) = ( 0.3542901 -0.4475617 0.3873759), wk = 0.0029499 k( 234) = ( 0.3654985 -0.4306437 0.3818106), wk = 0.0029499 k( 235) = ( 0.3767070 -0.4137257 0.3762453), wk = 0.0029499 k( 236) = ( 0.3879154 -0.3968077 0.3706800), wk = 0.0029499 k( 237) = ( 0.3991239 -0.3798897 0.3651147), wk = 0.0029499 k( 238) = ( 0.4103323 -0.3629718 0.3595494), wk = 0.0029499 k( 239) = ( 0.4215408 -0.3460538 0.3539840), wk = 0.0029499 k( 240) = ( 0.4327492 -0.3291358 0.3484187), wk = 0.0029499 k( 241) = ( 0.4439577 -0.3122178 0.3428534), wk = 0.0029499 k( 242) = ( 0.4551662 -0.2952998 0.3372881), wk = 0.0029499 k( 243) = ( 0.4663746 -0.2783818 0.3317228), wk = 0.0029499 k( 244) = ( 0.4775831 -0.2614638 0.3261574), wk = 0.0029499 k( 245) = ( 0.4887915 -0.2445458 0.3205921), wk = 0.0029499 k( 246) = ( 0.5000000 -0.2276279 0.3150268), wk = 0.0029499 k( 247) = ( 0.5000000 -0.2276279 0.3150268), wk = 0.0029499 k( 248) = ( 0.4934211 -0.2174041 0.3328560), wk = 0.0029499 k( 249) = ( 0.4868421 -0.2071804 0.3506852), wk = 0.0029499 k( 250) = ( 0.4802632 -0.1969566 0.3685145), wk = 0.0029499 k( 251) = ( 0.4736842 -0.1867329 0.3863437), wk = 0.0029499 k( 252) = ( 0.4671053 -0.1765092 0.4041729), wk = 0.0029499 k( 253) = ( 0.4605263 -0.1662854 0.4220021), wk = 0.0029499 k( 254) = ( 0.4539474 -0.1560617 0.4398313), wk = 0.0029499 k( 255) = ( 0.4473684 -0.1458379 0.4576606), wk = 0.0029499 k( 256) = ( 0.4407895 -0.1356142 0.4754898), wk = 0.0029499 k( 257) = ( 0.4342105 -0.1253905 0.4933190), wk = 0.0029499 k( 258) = ( 0.4276316 -0.1151667 0.5111482), wk = 0.0029499 k( 259) = ( 0.4210526 -0.1049430 0.5289774), wk = 0.0029499 k( 260) = ( 0.4144737 -0.0947192 0.5468067), wk = 0.0029499 k( 261) = ( 0.4078947 -0.0844955 0.5646359), wk = 0.0029499 k( 262) = ( 0.4013158 -0.0742718 0.5824651), wk = 0.0029499 k( 263) = ( 0.3947368 -0.0640480 0.6002943), wk = 0.0029499 k( 264) = ( 0.3881579 -0.0538243 0.6181235), wk = 0.0029499 k( 265) = ( 0.3815789 -0.0436005 0.6359527), wk = 0.0029499 k( 266) = ( 0.3750000 -0.0333768 0.6537820), wk = 0.0029499 k( 267) = ( 0.3684211 -0.0231531 0.6716112), wk = 0.0029499 k( 268) = ( 0.3618421 -0.0129293 0.6894404), wk = 0.0029499 k( 269) = ( 0.3552632 -0.0027056 0.7072696), wk = 0.0029499 k( 270) = ( 0.3486842 0.0075182 0.7250988), wk = 0.0029499 k( 271) = ( 0.3421053 0.0177419 0.7429281), wk = 0.0029499 k( 272) = ( 0.3355263 0.0279656 0.7607573), wk = 0.0029499 k( 273) = ( 0.3289474 0.0381894 0.7785865), wk = 0.0029499 k( 274) = ( 0.3223684 0.0484131 0.7964157), wk = 0.0029499 k( 275) = ( 0.3157895 0.0586369 0.8142449), wk = 0.0029499 k( 276) = ( 0.3092105 0.0688606 0.8320741), wk = 0.0029499 k( 277) = ( 0.3026316 0.0790843 0.8499034), wk = 0.0029499 k( 278) = ( 0.2960526 0.0893081 0.8677326), wk = 0.0029499 k( 279) = ( 0.2894737 0.0995318 0.8855618), wk = 0.0029499 k( 280) = ( 0.2828947 0.1097556 0.9033910), wk = 0.0029499 k( 281) = ( 0.2763158 0.1199793 0.9212202), wk = 0.0029499 k( 282) = ( 0.2697368 0.1302031 0.9390495), wk = 0.0029499 k( 283) = ( 0.2631579 0.1404268 0.9568787), wk = 0.0029499 k( 284) = ( 0.2565789 0.1506505 0.9747079), wk = 0.0029499 k( 285) = ( 0.2500000 0.1608743 0.9925371), wk = 0.0029499 k( 286) = ( 0.1035221 -0.1608743 0.9925371), wk = 0.0029499 k( 287) = ( 0.1101022 -0.1710998 0.9747048), wk = 0.0029499 k( 288) = ( 0.1166823 -0.1813253 0.9568726), wk = 0.0029499 k( 289) = ( 0.1232624 -0.1915508 0.9390403), wk = 0.0029499 k( 290) = ( 0.1298424 -0.2017763 0.9212080), wk = 0.0029499 k( 291) = ( 0.1364225 -0.2120017 0.9033757), wk = 0.0029499 k( 292) = ( 0.1430026 -0.2222272 0.8855434), wk = 0.0029499 k( 293) = ( 0.1495827 -0.2324527 0.8677111), wk = 0.0029499 k( 294) = ( 0.1561627 -0.2426783 0.8498789), wk = 0.0029499 k( 295) = ( 0.1627428 -0.2529037 0.8320466), wk = 0.0029499 k( 296) = ( 0.1693229 -0.2631292 0.8142143), wk = 0.0029499 k( 297) = ( 0.1759030 -0.2733547 0.7963820), wk = 0.0029499 k( 298) = ( 0.1824831 -0.2835802 0.7785498), wk = 0.0029499 k( 299) = ( 0.1890631 -0.2938057 0.7607175), wk = 0.0029499 k( 300) = ( 0.1956432 -0.3040312 0.7428852), wk = 0.0029499 k( 301) = ( 0.2022233 -0.3142567 0.7250529), wk = 0.0029499 k( 302) = ( 0.2088034 -0.3244822 0.7072206), wk = 0.0029499 k( 303) = ( 0.2153834 -0.3347077 0.6893884), wk = 0.0029499 k( 304) = ( 0.2219635 -0.3449332 0.6715561), wk = 0.0029499 k( 305) = ( 0.2285436 -0.3551587 0.6537238), wk = 0.0029499 k( 306) = ( 0.2351237 -0.3653842 0.6358915), wk = 0.0029499 k( 307) = ( 0.2417037 -0.3756097 0.6180592), wk = 0.0029499 k( 308) = ( 0.2482838 -0.3858352 0.6002270), wk = 0.0029499 k( 309) = ( 0.2548639 -0.3960607 0.5823947), wk = 0.0029499 k( 310) = ( 0.2614440 -0.4062862 0.5645624), wk = 0.0029499 k( 311) = ( 0.2680241 -0.4165117 0.5467301), wk = 0.0029499 k( 312) = ( 0.2746041 -0.4267372 0.5288978), wk = 0.0029499 k( 313) = ( 0.2811842 -0.4369627 0.5110656), wk = 0.0029499 k( 314) = ( 0.2877643 -0.4471882 0.4932333), wk = 0.0029499 k( 315) = ( 0.2943444 -0.4574137 0.4754010), wk = 0.0029499 k( 316) = ( 0.3009244 -0.4676392 0.4575687), wk = 0.0029499 k( 317) = ( 0.3075045 -0.4778647 0.4397364), wk = 0.0029499 k( 318) = ( 0.3140846 -0.4880901 0.4219042), wk = 0.0029499 k( 319) = ( 0.3206647 -0.4983156 0.4040719), wk = 0.0029499 k( 320) = ( 0.6793353 0.0430599 0.2259818), wk = 0.0029499 k( 321) = ( 0.6698966 0.0577277 0.2140880), wk = 0.0029499 k( 322) = ( 0.6604579 0.0723956 0.2021942), wk = 0.0029499 k( 323) = ( 0.6510192 0.0870634 0.1903004), wk = 0.0029499 k( 324) = ( 0.6415805 0.1017312 0.1784066), wk = 0.0029499 k( 325) = ( 0.6321418 0.1163990 0.1665129), wk = 0.0029499 k( 326) = ( 0.6227031 0.1310669 0.1546191), wk = 0.0029499 k( 327) = ( 0.6132644 0.1457347 0.1427253), wk = 0.0029499 k( 328) = ( 0.6038257 0.1604025 0.1308315), wk = 0.0029499 k( 329) = ( 0.5943870 0.1750703 0.1189378), wk = 0.0029499 k( 330) = ( 0.5849483 0.1897381 0.1070440), wk = 0.0029499 k( 331) = ( 0.5755096 0.2044060 0.0951502), wk = 0.0029499 k( 332) = ( 0.5660709 0.2190738 0.0832564), wk = 0.0029499 k( 333) = ( 0.5566322 0.2337416 0.0713627), wk = 0.0029499 k( 334) = ( 0.5471935 0.2484094 0.0594689), wk = 0.0029499 k( 335) = ( 0.5377548 0.2630773 0.0475751), wk = 0.0029499 k( 336) = ( 0.5283161 0.2777451 0.0356813), wk = 0.0029499 k( 337) = ( 0.5188774 0.2924129 0.0237875), wk = 0.0029499 k( 338) = ( 0.5094387 0.3070807 0.0118938), wk = 0.0029499 k( 339) = ( 0.5000000 0.3217485 0.0000000), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( -0.0065781 0.0065781 0.0065781), wk = 0.0029499 k( 3) = ( -0.0131562 0.0131562 0.0131562), wk = 0.0029499 k( 4) = ( -0.0197342 0.0197342 0.0197342), wk = 0.0029499 k( 5) = ( -0.0263123 0.0263123 0.0263123), wk = 0.0029499 k( 6) = ( -0.0328904 0.0328904 0.0328904), wk = 0.0029499 k( 7) = ( -0.0394685 0.0394685 0.0394685), wk = 0.0029499 k( 8) = ( -0.0460466 0.0460466 0.0460466), wk = 0.0029499 k( 9) = ( -0.0526246 0.0526246 0.0526246), wk = 0.0029499 k( 10) = ( -0.0592027 0.0592027 0.0592027), wk = 0.0029499 k( 11) = ( -0.0657808 0.0657808 0.0657808), wk = 0.0029499 k( 12) = ( -0.0723589 0.0723589 0.0723589), wk = 0.0029499 k( 13) = ( -0.0789370 0.0789370 0.0789370), wk = 0.0029499 k( 14) = ( -0.0855150 0.0855150 0.0855150), wk = 0.0029499 k( 15) = ( -0.0920931 0.0920931 0.0920931), wk = 0.0029499 k( 16) = ( -0.0986712 0.0986712 0.0986712), wk = 0.0029499 k( 17) = ( -0.1052493 0.1052493 0.1052493), wk = 0.0029499 k( 18) = ( -0.1118274 0.1118274 0.1118274), wk = 0.0029499 k( 19) = ( -0.1184054 0.1184054 0.1184054), wk = 0.0029499 k( 20) = ( -0.1249835 0.1249835 0.1249835), wk = 0.0029499 k( 21) = ( -0.1315616 0.1315616 0.1315616), wk = 0.0029499 k( 22) = ( -0.1381397 0.1381397 0.1381397), wk = 0.0029499 k( 23) = ( -0.1447178 0.1447178 0.1447178), wk = 0.0029499 k( 24) = ( -0.1512959 0.1512959 0.1512959), wk = 0.0029499 k( 25) = ( -0.1578739 0.1578739 0.1578739), wk = 0.0029499 k( 26) = ( -0.1644520 0.1644520 0.1644520), wk = 0.0029499 k( 27) = ( -0.1710301 0.1710301 0.1710301), wk = 0.0029499 k( 28) = ( -0.1776082 0.1776082 0.1776082), wk = 0.0029499 k( 29) = ( -0.1841862 0.1841862 0.1841862), wk = 0.0029499 k( 30) = ( -0.1907643 0.1907643 0.1907643), wk = 0.0029499 k( 31) = ( -0.1973424 0.1973424 0.1973424), wk = 0.0029499 k( 32) = ( -0.2039205 0.2039205 0.2039205), wk = 0.0029499 k( 33) = ( -0.2104986 0.2104986 0.2104986), wk = 0.0029499 k( 34) = ( -0.2170767 0.2170767 0.2170766), wk = 0.0029499 k( 35) = ( -0.2236547 0.2236547 0.2236547), wk = 0.0029499 k( 36) = ( -0.2302328 0.2302328 0.2302328), wk = 0.0029499 k( 37) = ( -0.2368109 0.2368109 0.2368109), wk = 0.0029499 k( 38) = ( -0.2433890 0.2433890 0.2433890), wk = 0.0029499 k( 39) = ( -0.2499671 0.2499671 0.2499671), wk = 0.0029499 k( 40) = ( -0.2565451 0.2565451 0.2565451), wk = 0.0029499 k( 41) = ( -0.2631232 0.2631232 0.2631232), wk = 0.0029499 k( 42) = ( -0.2697013 0.2697013 0.2697013), wk = 0.0029499 k( 43) = ( -0.2762794 0.2762794 0.2762794), wk = 0.0029499 k( 44) = ( -0.2828575 0.2828575 0.2828575), wk = 0.0029499 k( 45) = ( -0.2828575 0.2828575 0.2828575), wk = 0.0029499 k( 46) = ( -0.2734188 0.2734188 0.2922962), wk = 0.0029499 k( 47) = ( -0.2639801 0.2639801 0.3017349), wk = 0.0029499 k( 48) = ( -0.2545413 0.2545414 0.3111736), wk = 0.0029499 k( 49) = ( -0.2451027 0.2451027 0.3206123), wk = 0.0029499 k( 50) = ( -0.2356640 0.2356640 0.3300510), wk = 0.0029499 k( 51) = ( -0.2262252 0.2262252 0.3394897), wk = 0.0029499 k( 52) = ( -0.2167865 0.2167866 0.3489284), wk = 0.0029499 k( 53) = ( -0.2073479 0.2073479 0.3583671), wk = 0.0029499 k( 54) = ( -0.1979091 0.1979091 0.3678058), wk = 0.0029499 k( 55) = ( -0.1884704 0.1884704 0.3772445), wk = 0.0029499 k( 56) = ( -0.1790317 0.1790317 0.3866832), wk = 0.0029499 k( 57) = ( -0.1695930 0.1695930 0.3961219), wk = 0.0029499 k( 58) = ( -0.1601543 0.1601543 0.4055606), wk = 0.0029499 k( 59) = ( -0.1507156 0.1507156 0.4149993), wk = 0.0029499 k( 60) = ( -0.1412769 0.1412769 0.4244380), wk = 0.0029499 k( 61) = ( -0.1318382 0.1318382 0.4338767), wk = 0.0029499 k( 62) = ( -0.1223995 0.1223995 0.4433154), wk = 0.0029499 k( 63) = ( -0.1129608 0.1129608 0.4527541), wk = 0.0029499 k( 64) = ( -0.1035221 0.1035221 0.4621928), wk = 0.0029499 k( 65) = ( -0.1035221 0.1035221 0.4621928), wk = 0.0029499 k( 66) = ( -0.0920197 0.0920197 0.4663936), wk = 0.0029499 k( 67) = ( -0.0805172 0.0805172 0.4705944), wk = 0.0029499 k( 68) = ( -0.0690147 0.0690148 0.4747952), wk = 0.0029499 k( 69) = ( -0.0575123 0.0575123 0.4789960), wk = 0.0029499 k( 70) = ( -0.0460098 0.0460098 0.4831968), wk = 0.0029499 k( 71) = ( -0.0345074 0.0345074 0.4873976), wk = 0.0029499 k( 72) = ( -0.0230049 0.0230049 0.4915984), wk = 0.0029499 k( 73) = ( -0.0115025 0.0115025 0.4957992), wk = 0.0029499 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 75) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 76) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0029499 k( 77) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0029499 k( 78) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0029499 k( 79) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0029499 k( 80) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0029499 k( 81) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0029499 k( 82) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029499 k( 83) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0029499 k( 84) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0029499 k( 85) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0029499 k( 86) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0029499 k( 87) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0029499 k( 88) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0029499 k( 89) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 90) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 91) = ( 0.2403846 0.2596154 0.2403846), wk = 0.0029499 k( 92) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0029499 k( 93) = ( 0.2211539 0.2788462 0.2211539), wk = 0.0029499 k( 94) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0029499 k( 95) = ( 0.2019231 0.2980769 0.2019231), wk = 0.0029499 k( 96) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0029499 k( 97) = ( 0.1826923 0.3173077 0.1826923), wk = 0.0029499 k( 98) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0029499 k( 99) = ( 0.1634615 0.3365385 0.1634615), wk = 0.0029499 k( 100) = ( 0.1538461 0.3461539 0.1538461), wk = 0.0029499 k( 101) = ( 0.1442308 0.3557692 0.1442308), wk = 0.0029499 k( 102) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0029499 k( 103) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029499 k( 104) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0029499 k( 105) = ( 0.1057692 0.3942308 0.1057692), wk = 0.0029499 k( 106) = ( 0.0961538 0.4038462 0.0961538), wk = 0.0029499 k( 107) = ( 0.0865385 0.4134615 0.0865385), wk = 0.0029499 k( 108) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0029499 k( 109) = ( 0.0673077 0.4326923 0.0673077), wk = 0.0029499 k( 110) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0029499 k( 111) = ( 0.0480769 0.4519231 0.0480769), wk = 0.0029499 k( 112) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0029499 k( 113) = ( 0.0288462 0.4711539 0.0288461), wk = 0.0029499 k( 114) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0029499 k( 115) = ( 0.0096154 0.4903846 0.0096154), wk = 0.0029499 k( 116) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029499 k( 117) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029499 k( 118) = ( 0.0188572 0.5144762 -0.0188572), wk = 0.0029499 k( 119) = ( 0.0377143 0.5289523 -0.0377143), wk = 0.0029499 k( 120) = ( 0.0565715 0.5434285 -0.0565715), wk = 0.0029499 k( 121) = ( 0.0754287 0.5579047 -0.0754287), wk = 0.0029499 k( 122) = ( 0.0942858 0.5723809 -0.0942858), wk = 0.0029499 k( 123) = ( 0.1131430 0.5868570 -0.1131430), wk = 0.0029499 k( 124) = ( 0.1320002 0.6013332 -0.1320002), wk = 0.0029499 k( 125) = ( 0.1508573 0.6158094 -0.1508573), wk = 0.0029499 k( 126) = ( 0.1697145 0.6302855 -0.1697145), wk = 0.0029499 k( 127) = ( 0.1885716 0.6447617 -0.1885716), wk = 0.0029499 k( 128) = ( 0.2074288 0.6592379 -0.2074288), wk = 0.0029499 k( 129) = ( 0.2262860 0.6737140 -0.2262860), wk = 0.0029499 k( 130) = ( 0.2451431 0.6881902 -0.2451431), wk = 0.0029499 k( 131) = ( 0.2640003 0.7026664 -0.2640003), wk = 0.0029499 k( 132) = ( 0.2828575 0.7171425 -0.2828575), wk = 0.0029499 k( 133) = ( 0.2828575 0.7171425 -0.2828575), wk = 0.0029499 k( 134) = ( 0.2894375 0.7105625 -0.2894375), wk = 0.0029499 k( 135) = ( 0.2960176 0.7039824 -0.2960176), wk = 0.0029499 k( 136) = ( 0.3025977 0.6974023 -0.3025977), wk = 0.0029499 k( 137) = ( 0.3091778 0.6908222 -0.3091778), wk = 0.0029499 k( 138) = ( 0.3157578 0.6842422 -0.3157578), wk = 0.0029499 k( 139) = ( 0.3223379 0.6776621 -0.3223379), wk = 0.0029499 k( 140) = ( 0.3289180 0.6710820 -0.3289180), wk = 0.0029499 k( 141) = ( 0.3354981 0.6645019 -0.3354981), wk = 0.0029499 k( 142) = ( 0.3420782 0.6579219 -0.3420781), wk = 0.0029499 k( 143) = ( 0.3486582 0.6513418 -0.3486582), wk = 0.0029499 k( 144) = ( 0.3552383 0.6447617 -0.3552383), wk = 0.0029499 k( 145) = ( 0.3618184 0.6381816 -0.3618184), wk = 0.0029499 k( 146) = ( 0.3683985 0.6316015 -0.3683985), wk = 0.0029499 k( 147) = ( 0.3749785 0.6250215 -0.3749785), wk = 0.0029499 k( 148) = ( 0.3815586 0.6184414 -0.3815586), wk = 0.0029499 k( 149) = ( 0.3881387 0.6118613 -0.3881387), wk = 0.0029499 k( 150) = ( 0.3947188 0.6052812 -0.3947188), wk = 0.0029499 k( 151) = ( 0.4012988 0.5987012 -0.4012988), wk = 0.0029499 k( 152) = ( 0.4078789 0.5921211 -0.4078789), wk = 0.0029499 k( 153) = ( 0.4144590 0.5855410 -0.4144590), wk = 0.0029499 k( 154) = ( 0.4210391 0.5789609 -0.4210391), wk = 0.0029499 k( 155) = ( 0.4276192 0.5723809 -0.4276192), wk = 0.0029499 k( 156) = ( 0.4341992 0.5658008 -0.4341992), wk = 0.0029499 k( 157) = ( 0.4407793 0.5592207 -0.4407793), wk = 0.0029499 k( 158) = ( 0.4473594 0.5526406 -0.4473594), wk = 0.0029499 k( 159) = ( 0.4539395 0.5460605 -0.4539395), wk = 0.0029499 k( 160) = ( 0.4605195 0.5394805 -0.4605195), wk = 0.0029499 k( 161) = ( 0.4670996 0.5329004 -0.4670996), wk = 0.0029499 k( 162) = ( 0.4736797 0.5263203 -0.4736797), wk = 0.0029499 k( 163) = ( 0.4802598 0.5197402 -0.4802598), wk = 0.0029499 k( 164) = ( 0.4868399 0.5131602 -0.4868399), wk = 0.0029499 k( 165) = ( 0.4934199 0.5065801 -0.4934199), wk = 0.0029499 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029499 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029499 k( 168) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0029499 k( 169) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0029499 k( 170) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0029499 k( 171) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0029499 k( 172) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0029499 k( 173) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0029499 k( 174) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0029499 k( 175) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0029499 k( 176) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0029499 k( 177) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0029499 k( 178) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0029499 k( 179) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0029499 k( 180) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0029499 k( 181) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029499 k( 182) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0029499 k( 183) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0029499 k( 184) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0029499 k( 185) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0029499 k( 186) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0029499 k( 187) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0029499 k( 188) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0029499 k( 189) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0029499 k( 190) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0029499 k( 191) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0029499 k( 192) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0029499 k( 193) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0029499 k( 194) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0029499 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 197) = ( 0.0097171 -0.0097171 0.0097171), wk = 0.0029499 k( 198) = ( 0.0194342 -0.0194342 0.0194342), wk = 0.0029499 k( 199) = ( 0.0291513 -0.0291513 0.0291513), wk = 0.0029499 k( 200) = ( 0.0388684 -0.0388684 0.0388685), wk = 0.0029499 k( 201) = ( 0.0485856 -0.0485856 0.0485856), wk = 0.0029499 k( 202) = ( 0.0583027 -0.0583027 0.0583027), wk = 0.0029499 k( 203) = ( 0.0680198 -0.0680198 0.0680198), wk = 0.0029499 k( 204) = ( 0.0777369 -0.0777369 0.0777369), wk = 0.0029499 k( 205) = ( 0.0874540 -0.0874540 0.0874540), wk = 0.0029499 k( 206) = ( 0.0971711 -0.0971711 0.0971711), wk = 0.0029499 k( 207) = ( 0.1068882 -0.1068882 0.1068882), wk = 0.0029499 k( 208) = ( 0.1166053 -0.1166053 0.1166053), wk = 0.0029499 k( 209) = ( 0.1263225 -0.1263225 0.1263225), wk = 0.0029499 k( 210) = ( 0.1360396 -0.1360396 0.1360396), wk = 0.0029499 k( 211) = ( 0.1457567 -0.1457567 0.1457567), wk = 0.0029499 k( 212) = ( 0.1554738 -0.1554738 0.1554738), wk = 0.0029499 k( 213) = ( 0.1651909 -0.1651909 0.1651909), wk = 0.0029499 k( 214) = ( 0.1749080 -0.1749080 0.1749080), wk = 0.0029499 k( 215) = ( 0.1846251 -0.1846251 0.1846251), wk = 0.0029499 k( 216) = ( 0.1943422 -0.1943422 0.1943422), wk = 0.0029499 k( 217) = ( 0.2040593 -0.2040593 0.2040593), wk = 0.0029499 k( 218) = ( 0.2137765 -0.2137765 0.2137765), wk = 0.0029499 k( 219) = ( 0.2234936 -0.2234936 0.2234936), wk = 0.0029499 k( 220) = ( 0.2332107 -0.2332107 0.2332107), wk = 0.0029499 k( 221) = ( 0.2429278 -0.2429278 0.2429278), wk = 0.0029499 k( 222) = ( 0.2526449 -0.2526449 0.2526449), wk = 0.0029499 k( 223) = ( 0.2623620 -0.2623620 0.2623620), wk = 0.0029499 k( 224) = ( 0.2720791 -0.2720791 0.2720791), wk = 0.0029499 k( 225) = ( 0.2817962 -0.2817962 0.2817962), wk = 0.0029499 k( 226) = ( 0.2915133 -0.2915133 0.2915133), wk = 0.0029499 k( 227) = ( 0.3012304 -0.3012304 0.3012304), wk = 0.0029499 k( 228) = ( 0.3109476 -0.3109476 0.3109476), wk = 0.0029499 k( 229) = ( 0.3206647 -0.3206647 0.3206647), wk = 0.0029499 k( 230) = ( 0.3206647 -0.3206647 0.3206647), wk = 0.0029499 k( 231) = ( 0.3318731 -0.3006231 0.3006231), wk = 0.0029499 k( 232) = ( 0.3430816 -0.2805816 0.2805816), wk = 0.0029499 k( 233) = ( 0.3542901 -0.2605401 0.2605401), wk = 0.0029499 k( 234) = ( 0.3654985 -0.2404985 0.2404985), wk = 0.0029499 k( 235) = ( 0.3767070 -0.2204570 0.2204570), wk = 0.0029499 k( 236) = ( 0.3879154 -0.2004154 0.2004154), wk = 0.0029499 k( 237) = ( 0.3991239 -0.1803739 0.1803739), wk = 0.0029499 k( 238) = ( 0.4103323 -0.1603323 0.1603323), wk = 0.0029499 k( 239) = ( 0.4215408 -0.1402908 0.1402908), wk = 0.0029499 k( 240) = ( 0.4327492 -0.1202493 0.1202493), wk = 0.0029499 k( 241) = ( 0.4439577 -0.1002077 0.1002077), wk = 0.0029499 k( 242) = ( 0.4551662 -0.0801662 0.0801662), wk = 0.0029499 k( 243) = ( 0.4663746 -0.0601246 0.0601246), wk = 0.0029499 k( 244) = ( 0.4775831 -0.0400831 0.0400831), wk = 0.0029499 k( 245) = ( 0.4887915 -0.0200415 0.0200415), wk = 0.0029499 k( 246) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029499 k( 247) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029499 k( 248) = ( 0.4934211 0.0065790 0.0065790), wk = 0.0029499 k( 249) = ( 0.4868421 0.0131579 0.0131579), wk = 0.0029499 k( 250) = ( 0.4802632 0.0197368 0.0197368), wk = 0.0029499 k( 251) = ( 0.4736842 0.0263158 0.0263158), wk = 0.0029499 k( 252) = ( 0.4671053 0.0328947 0.0328947), wk = 0.0029499 k( 253) = ( 0.4605263 0.0394737 0.0394737), wk = 0.0029499 k( 254) = ( 0.4539474 0.0460526 0.0460526), wk = 0.0029499 k( 255) = ( 0.4473684 0.0526316 0.0526316), wk = 0.0029499 k( 256) = ( 0.4407895 0.0592105 0.0592105), wk = 0.0029499 k( 257) = ( 0.4342105 0.0657895 0.0657895), wk = 0.0029499 k( 258) = ( 0.4276316 0.0723684 0.0723684), wk = 0.0029499 k( 259) = ( 0.4210526 0.0789474 0.0789474), wk = 0.0029499 k( 260) = ( 0.4144737 0.0855263 0.0855263), wk = 0.0029499 k( 261) = ( 0.4078947 0.0921053 0.0921053), wk = 0.0029499 k( 262) = ( 0.4013158 0.0986842 0.0986842), wk = 0.0029499 k( 263) = ( 0.3947368 0.1052632 0.1052632), wk = 0.0029499 k( 264) = ( 0.3881579 0.1118421 0.1118421), wk = 0.0029499 k( 265) = ( 0.3815789 0.1184210 0.1184211), wk = 0.0029499 k( 266) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0029499 k( 267) = ( 0.3684211 0.1315790 0.1315790), wk = 0.0029499 k( 268) = ( 0.3618421 0.1381579 0.1381579), wk = 0.0029499 k( 269) = ( 0.3552632 0.1447368 0.1447368), wk = 0.0029499 k( 270) = ( 0.3486842 0.1513158 0.1513158), wk = 0.0029499 k( 271) = ( 0.3421053 0.1578947 0.1578947), wk = 0.0029499 k( 272) = ( 0.3355263 0.1644737 0.1644737), wk = 0.0029499 k( 273) = ( 0.3289474 0.1710526 0.1710526), wk = 0.0029499 k( 274) = ( 0.3223684 0.1776316 0.1776316), wk = 0.0029499 k( 275) = ( 0.3157895 0.1842105 0.1842105), wk = 0.0029499 k( 276) = ( 0.3092105 0.1907895 0.1907895), wk = 0.0029499 k( 277) = ( 0.3026316 0.1973684 0.1973684), wk = 0.0029499 k( 278) = ( 0.2960526 0.2039474 0.2039474), wk = 0.0029499 k( 279) = ( 0.2894737 0.2105263 0.2105263), wk = 0.0029499 k( 280) = ( 0.2828947 0.2171053 0.2171053), wk = 0.0029499 k( 281) = ( 0.2763158 0.2236842 0.2236842), wk = 0.0029499 k( 282) = ( 0.2697368 0.2302632 0.2302632), wk = 0.0029499 k( 283) = ( 0.2631579 0.2368421 0.2368421), wk = 0.0029499 k( 284) = ( 0.2565789 0.2434211 0.2434211), wk = 0.0029499 k( 285) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 286) = ( 0.1035221 -0.1035221 0.5378072), wk = 0.0029499 k( 287) = ( 0.1101022 -0.1101022 0.5312271), wk = 0.0029499 k( 288) = ( 0.1166823 -0.1166823 0.5246471), wk = 0.0029499 k( 289) = ( 0.1232624 -0.1232624 0.5180670), wk = 0.0029499 k( 290) = ( 0.1298424 -0.1298424 0.5114869), wk = 0.0029499 k( 291) = ( 0.1364225 -0.1364225 0.5049068), wk = 0.0029499 k( 292) = ( 0.1430026 -0.1430026 0.4983267), wk = 0.0029499 k( 293) = ( 0.1495827 -0.1495827 0.4917467), wk = 0.0029499 k( 294) = ( 0.1561627 -0.1561628 0.4851666), wk = 0.0029499 k( 295) = ( 0.1627428 -0.1627428 0.4785865), wk = 0.0029499 k( 296) = ( 0.1693229 -0.1693229 0.4720064), wk = 0.0029499 k( 297) = ( 0.1759030 -0.1759030 0.4654264), wk = 0.0029499 k( 298) = ( 0.1824831 -0.1824831 0.4588463), wk = 0.0029499 k( 299) = ( 0.1890631 -0.1890631 0.4522662), wk = 0.0029499 k( 300) = ( 0.1956432 -0.1956432 0.4456861), wk = 0.0029499 k( 301) = ( 0.2022233 -0.2022233 0.4391061), wk = 0.0029499 k( 302) = ( 0.2088034 -0.2088034 0.4325260), wk = 0.0029499 k( 303) = ( 0.2153834 -0.2153834 0.4259459), wk = 0.0029499 k( 304) = ( 0.2219635 -0.2219635 0.4193658), wk = 0.0029499 k( 305) = ( 0.2285436 -0.2285436 0.4127858), wk = 0.0029499 k( 306) = ( 0.2351237 -0.2351237 0.4062057), wk = 0.0029499 k( 307) = ( 0.2417037 -0.2417038 0.3996256), wk = 0.0029499 k( 308) = ( 0.2482838 -0.2482838 0.3930455), wk = 0.0029499 k( 309) = ( 0.2548639 -0.2548639 0.3864654), wk = 0.0029499 k( 310) = ( 0.2614440 -0.2614440 0.3798854), wk = 0.0029499 k( 311) = ( 0.2680241 -0.2680241 0.3733053), wk = 0.0029499 k( 312) = ( 0.2746041 -0.2746041 0.3667252), wk = 0.0029499 k( 313) = ( 0.2811842 -0.2811842 0.3601451), wk = 0.0029499 k( 314) = ( 0.2877643 -0.2877643 0.3535651), wk = 0.0029499 k( 315) = ( 0.2943444 -0.2943444 0.3469850), wk = 0.0029499 k( 316) = ( 0.3009244 -0.3009244 0.3404049), wk = 0.0029499 k( 317) = ( 0.3075045 -0.3075045 0.3338248), wk = 0.0029499 k( 318) = ( 0.3140846 -0.3140846 0.3272448), wk = 0.0029499 k( 319) = ( 0.3206647 -0.3206647 0.3206647), wk = 0.0029499 k( 320) = ( 0.6793353 0.3206647 -0.3206647), wk = 0.0029499 k( 321) = ( 0.6698966 0.3301034 -0.3301034), wk = 0.0029499 k( 322) = ( 0.6604579 0.3395421 -0.3395421), wk = 0.0029499 k( 323) = ( 0.6510192 0.3489808 -0.3489808), wk = 0.0029499 k( 324) = ( 0.6415805 0.3584195 -0.3584195), wk = 0.0029499 k( 325) = ( 0.6321418 0.3678582 -0.3678582), wk = 0.0029499 k( 326) = ( 0.6227031 0.3772969 -0.3772969), wk = 0.0029499 k( 327) = ( 0.6132644 0.3867356 -0.3867356), wk = 0.0029499 k( 328) = ( 0.6038257 0.3961743 -0.3961743), wk = 0.0029499 k( 329) = ( 0.5943870 0.4056130 -0.4056130), wk = 0.0029499 k( 330) = ( 0.5849483 0.4150517 -0.4150517), wk = 0.0029499 k( 331) = ( 0.5755096 0.4244904 -0.4244904), wk = 0.0029499 k( 332) = ( 0.5660709 0.4339291 -0.4339291), wk = 0.0029499 k( 333) = ( 0.5566322 0.4433678 -0.4433678), wk = 0.0029499 k( 334) = ( 0.5471935 0.4528065 -0.4528065), wk = 0.0029499 k( 335) = ( 0.5377548 0.4622452 -0.4622452), wk = 0.0029499 k( 336) = ( 0.5283161 0.4716839 -0.4716839), wk = 0.0029499 k( 337) = ( 0.5188774 0.4811226 -0.4811226), wk = 0.0029499 k( 338) = ( 0.5094387 0.4905613 -0.4905613), wk = 0.0029499 k( 339) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029499 Dense grid: 432701 G-vectors FFT dimensions: ( 125, 125, 125) Smooth grid: 98105 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 696, 44) NL pseudopotentials 0.57 Mb ( 348, 108) Each V/rho on FFT grid 0.95 Mb ( 62500) Each G-vector array 0.09 Mb ( 12021) G-vector shells 0.08 Mb ( 11130) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.87 Mb ( 696, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.15 Mb ( 108, 2, 44) The potential is recalculated from file : ./BexH3Cx2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.8 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.5 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 15.2 secs Computing kpt #: 10 total cpu time spent up to now is 16.5 secs Computing kpt #: 11 total cpu time spent up to now is 17.9 secs Computing kpt #: 12 total cpu time spent up to now is 19.2 secs Computing kpt #: 13 total cpu time spent up to now is 20.6 secs Computing kpt #: 14 total cpu time spent up to now is 22.0 secs Computing kpt #: 15 total cpu time spent up to now is 23.3 secs Computing kpt #: 16 total cpu time spent up to now is 24.7 secs Computing kpt #: 17 total cpu time spent up to now is 26.0 secs Computing kpt #: 18 total cpu time spent up to now is 27.4 secs Computing kpt #: 19 total cpu time spent up to now is 28.7 secs Computing kpt #: 20 total cpu time spent up to now is 30.1 secs Computing kpt #: 21 total cpu time spent up to now is 31.4 secs Computing kpt #: 22 total cpu time spent up to now is 32.8 secs Computing kpt #: 23 total cpu time spent up to now is 34.1 secs Computing kpt #: 24 total cpu time spent up to now is 35.5 secs Computing kpt #: 25 total cpu time spent up to now is 36.8 secs Computing kpt #: 26 total cpu time spent up to now is 38.2 secs Computing kpt #: 27 total cpu time spent up to now is 39.6 secs Computing kpt #: 28 total cpu time spent up to now is 41.2 secs Computing kpt #: 29 total cpu time spent up to now is 42.6 secs Computing kpt #: 30 total cpu time spent up to now is 44.1 secs Computing kpt #: 31 total cpu time spent up to now is 45.7 secs Computing kpt #: 32 total cpu time spent up to now is 47.1 secs Computing kpt #: 33 total cpu time spent up to now is 48.5 secs Computing kpt #: 34 total cpu time spent up to now is 49.8 secs Computing kpt #: 35 total cpu time spent up to now is 51.2 secs Computing kpt #: 36 total cpu time spent up to now is 52.6 secs Computing kpt #: 37 total cpu time spent up to now is 54.0 secs Computing kpt #: 38 total cpu time spent up to now is 55.4 secs Computing kpt #: 39 total cpu time spent up to now is 56.8 secs Computing kpt #: 40 total cpu time spent up to now is 58.1 secs Computing kpt #: 41 total cpu time spent up to now is 59.5 secs Computing kpt #: 42 total cpu time spent up to now is 60.9 secs Computing kpt #: 43 total cpu time spent up to now is 62.3 secs Computing kpt #: 44 total cpu time spent up to now is 64.4 secs Computing kpt #: 45 total cpu time spent up to now is 66.2 secs Computing kpt #: 46 total cpu time spent up to now is 68.1 secs Computing kpt #: 47 total cpu time spent up to now is 69.8 secs Computing kpt #: 48 total cpu time spent up to now is 71.9 secs Computing kpt #: 49 total cpu time spent up to now is 74.1 secs Computing kpt #: 50 total cpu time spent up to now is 76.2 secs Computing kpt #: 51 total cpu time spent up to now is 78.3 secs Computing kpt #: 52 total cpu time spent up to now is 80.2 secs Computing kpt #: 53 total cpu time spent up to now is 82.1 secs Computing kpt #: 54 total cpu time spent up to now is 84.0 secs Computing kpt #: 55 total cpu time spent up to now is 85.7 secs Computing kpt #: 56 total cpu time spent up to now is 87.8 secs Computing kpt #: 57 total cpu time spent up to now is 89.7 secs Computing kpt #: 58 total cpu time spent up to now is 91.6 secs Computing kpt #: 59 total cpu time spent up to now is 93.7 secs Computing kpt #: 60 total cpu time spent up to now is 95.9 secs Computing kpt #: 61 total cpu time spent up to now is 98.0 secs Computing kpt #: 62 total cpu time spent up to now is 100.2 secs Computing kpt #: 63 total cpu time spent up to now is 102.1 secs Computing kpt #: 64 total cpu time spent up to now is 104.0 secs Computing kpt #: 65 total cpu time spent up to now is 105.8 secs Computing kpt #: 66 total cpu time spent up to now is 107.5 secs Computing kpt #: 67 total cpu time spent up to now is 109.3 secs Computing kpt #: 68 total cpu time spent up to now is 110.9 secs Computing kpt #: 69 total cpu time spent up to now is 112.6 secs Computing kpt #: 70 total cpu time spent up to now is 114.6 secs Computing kpt #: 71 total cpu time spent up to now is 116.3 secs Computing kpt #: 72 total cpu time spent up to now is 117.9 secs Computing kpt #: 73 total cpu time spent up to now is 119.6 secs Computing kpt #: 74 total cpu time spent up to now is 121.2 secs Computing kpt #: 75 total cpu time spent up to now is 122.8 secs Computing kpt #: 76 total cpu time spent up to now is 124.4 secs Computing kpt #: 77 total cpu time spent up to now is 126.1 secs Computing kpt #: 78 total cpu time spent up to now is 127.7 secs Computing kpt #: 79 total cpu time spent up to now is 129.5 secs Computing kpt #: 80 total cpu time spent up to now is 131.1 secs Computing kpt #: 81 total cpu time spent up to now is 132.5 secs Computing kpt #: 82 total cpu time spent up to now is 134.2 secs Computing kpt #: 83 total cpu time spent up to now is 135.6 secs Computing kpt #: 84 total cpu time spent up to now is 137.3 secs Computing kpt #: 85 total cpu time spent up to now is 138.9 secs Computing kpt #: 86 total cpu time spent up to now is 140.6 secs Computing kpt #: 87 total cpu time spent up to now is 142.2 secs Computing kpt #: 88 total cpu time spent up to now is 144.0 secs Computing kpt #: 89 total cpu time spent up to now is 145.7 secs Computing kpt #: 90 total cpu time spent up to now is 147.4 secs Computing kpt #: 91 total cpu time spent up to now is 149.1 secs Computing kpt #: 92 total cpu time spent up to now is 150.8 secs Computing kpt #: 93 total cpu time spent up to now is 152.6 secs Computing kpt #: 94 total cpu time spent up to now is 154.4 secs Computing kpt #: 95 total cpu time spent up to now is 156.2 secs Computing kpt #: 96 total cpu time spent up to now is 158.0 secs Computing kpt #: 97 total cpu time spent up to now is 159.9 secs Computing kpt #: 98 total cpu time spent up to now is 161.7 secs Computing kpt #: 99 total cpu time spent up to now is 163.5 secs Computing kpt #: 100 total cpu time spent up to now is 165.2 secs Computing kpt #: 101 total cpu time spent up to now is 166.9 secs Computing kpt #: 102 total cpu time spent up to now is 168.6 secs Computing kpt #: 103 total cpu time spent up to now is 170.3 secs Computing kpt #: 104 total cpu time spent up to now is 172.0 secs Computing kpt #: 105 total cpu time spent up to now is 173.6 secs Computing kpt #: 106 total cpu time spent up to now is 175.2 secs Computing kpt #: 107 total cpu time spent up to now is 176.8 secs Computing kpt #: 108 total cpu time spent up to now is 178.2 secs Computing kpt #: 109 total cpu time spent up to now is 179.6 secs Computing kpt #: 110 total cpu time spent up to now is 181.0 secs Computing kpt #: 111 total cpu time spent up to now is 182.4 secs Computing kpt #: 112 total cpu time spent up to now is 183.8 secs Computing kpt #: 113 total cpu time spent up to now is 185.3 secs Computing kpt #: 114 total cpu time spent up to now is 186.7 secs Computing kpt #: 115 total cpu time spent up to now is 188.1 secs Computing kpt #: 116 total cpu time spent up to now is 189.5 secs Computing kpt #: 117 total cpu time spent up to now is 190.9 secs Computing kpt #: 118 total cpu time spent up to now is 192.4 secs Computing kpt #: 119 total cpu time spent up to now is 193.7 secs Computing kpt #: 120 total cpu time spent up to now is 195.1 secs Computing kpt #: 121 total cpu time spent up to now is 196.8 secs Computing kpt #: 122 total cpu time spent up to now is 198.4 secs Computing kpt #: 123 total cpu time spent up to now is 200.0 secs Computing kpt #: 124 total cpu time spent up to now is 201.8 secs Computing kpt #: 125 total cpu time spent up to now is 203.5 secs Computing kpt #: 126 total cpu time spent up to now is 205.3 secs Computing kpt #: 127 total cpu time spent up to now is 207.0 secs Computing kpt #: 128 total cpu time spent up to now is 208.8 secs Computing kpt #: 129 total cpu time spent up to now is 210.4 secs Computing kpt #: 130 total cpu time spent up to now is 212.2 secs Computing kpt #: 131 total cpu time spent up to now is 214.0 secs Computing kpt #: 132 total cpu time spent up to now is 215.9 secs Computing kpt #: 133 total cpu time spent up to now is 217.7 secs Computing kpt #: 134 total cpu time spent up to now is 219.3 secs Computing kpt #: 135 total cpu time spent up to now is 221.1 secs Computing kpt #: 136 total cpu time spent up to now is 222.9 secs Computing kpt #: 137 total cpu time spent up to now is 224.7 secs Computing kpt #: 138 total cpu time spent up to now is 226.4 secs Computing kpt #: 139 total cpu time spent up to now is 228.0 secs Computing kpt #: 140 total cpu time spent up to now is 229.6 secs Computing kpt #: 141 total cpu time spent up to now is 231.3 secs Computing kpt #: 142 total cpu time spent up to now is 232.6 secs Computing kpt #: 143 total cpu time spent up to now is 234.0 secs Computing kpt #: 144 total cpu time spent up to now is 235.4 secs Computing kpt #: 145 total cpu time spent up to now is 236.7 secs Computing kpt #: 146 total cpu time spent up to now is 238.1 secs Computing kpt #: 147 total cpu time spent up to now is 239.4 secs Computing kpt #: 148 total cpu time spent up to now is 240.7 secs Computing kpt #: 149 total cpu time spent up to now is 242.1 secs Computing kpt #: 150 total cpu time spent up to now is 243.4 secs Computing kpt #: 151 total cpu time spent up to now is 244.7 secs Computing kpt #: 152 total cpu time spent up to now is 246.1 secs Computing kpt #: 153 total cpu time spent up to now is 247.4 secs Computing kpt #: 154 total cpu time spent up to now is 248.7 secs Computing kpt #: 155 total cpu time spent up to now is 250.0 secs Computing kpt #: 156 total cpu time spent up to now is 251.4 secs Computing kpt #: 157 total cpu time spent up to now is 252.7 secs Computing kpt #: 158 total cpu time spent up to now is 254.0 secs Computing kpt #: 159 total cpu time spent up to now is 255.3 secs Computing kpt #: 160 total cpu time spent up to now is 256.6 secs Computing kpt #: 161 total cpu time spent up to now is 257.9 secs Computing kpt #: 162 total cpu time spent up to now is 259.2 secs Computing kpt #: 163 total cpu time spent up to now is 260.5 secs Computing kpt #: 164 total cpu time spent up to now is 261.8 secs Computing kpt #: 165 total cpu time spent up to now is 263.1 secs Computing kpt #: 166 total cpu time spent up to now is 264.3 secs Computing kpt #: 167 total cpu time spent up to now is 265.6 secs Computing kpt #: 168 total cpu time spent up to now is 266.9 secs Computing kpt #: 169 total cpu time spent up to now is 268.1 secs Computing kpt #: 170 total cpu time spent up to now is 269.4 secs Computing kpt #: 171 total cpu time spent up to now is 270.7 secs Computing kpt #: 172 total cpu time spent up to now is 271.9 secs Computing kpt #: 173 total cpu time spent up to now is 273.2 secs Computing kpt #: 174 total cpu time spent up to now is 274.5 secs Computing kpt #: 175 total cpu time spent up to now is 275.7 secs Computing kpt #: 176 total cpu time spent up to now is 277.0 secs Computing kpt #: 177 total cpu time spent up to now is 278.3 secs Computing kpt #: 178 total cpu time spent up to now is 279.5 secs Computing kpt #: 179 total cpu time spent up to now is 280.8 secs Computing kpt #: 180 total cpu time spent up to now is 282.0 secs Computing kpt #: 181 total cpu time spent up to now is 283.3 secs Computing kpt #: 182 total cpu time spent up to now is 284.6 secs Computing kpt #: 183 total cpu time spent up to now is 285.8 secs Computing kpt #: 184 total cpu time spent up to now is 287.1 secs Computing kpt #: 185 total cpu time spent up to now is 288.3 secs Computing kpt #: 186 total cpu time spent up to now is 289.6 secs Computing kpt #: 187 total cpu time spent up to now is 290.9 secs Computing kpt #: 188 total cpu time spent up to now is 292.2 secs Computing kpt #: 189 total cpu time spent up to now is 293.4 secs Computing kpt #: 190 total cpu time spent up to now is 294.7 secs Computing kpt #: 191 total cpu time spent up to now is 296.0 secs Computing kpt #: 192 total cpu time spent up to now is 297.3 secs Computing kpt #: 193 total cpu time spent up to now is 298.5 secs Computing kpt #: 194 total cpu time spent up to now is 299.8 secs Computing kpt #: 195 total cpu time spent up to now is 301.1 secs Computing kpt #: 196 total cpu time spent up to now is 302.3 secs Computing kpt #: 197 total cpu time spent up to now is 303.6 secs Computing kpt #: 198 total cpu time spent up to now is 304.9 secs Computing kpt #: 199 total cpu time spent up to now is 306.2 secs Computing kpt #: 200 total cpu time spent up to now is 307.5 secs Computing kpt #: 201 total cpu time spent up to now is 308.9 secs Computing kpt #: 202 total cpu time spent up to now is 310.2 secs Computing kpt #: 203 total cpu time spent up to now is 311.5 secs Computing kpt #: 204 total cpu time spent up to now is 312.9 secs Computing kpt #: 205 total cpu time spent up to now is 314.2 secs Computing kpt #: 206 total cpu time spent up to now is 315.6 secs Computing kpt #: 207 total cpu time spent up to now is 317.0 secs Computing kpt #: 208 total cpu time spent up to now is 318.4 secs Computing kpt #: 209 total cpu time spent up to now is 319.8 secs Computing kpt #: 210 total cpu time spent up to now is 321.1 secs Computing kpt #: 211 total cpu time spent up to now is 322.5 secs Computing kpt #: 212 total cpu time spent up to now is 323.9 secs Computing kpt #: 213 total cpu time spent up to now is 325.2 secs Computing kpt #: 214 total cpu time spent up to now is 326.5 secs Computing kpt #: 215 total cpu time spent up to now is 327.9 secs Computing kpt #: 216 total cpu time spent up to now is 329.2 secs Computing kpt #: 217 total cpu time spent up to now is 330.6 secs Computing kpt #: 218 total cpu time spent up to now is 332.0 secs Computing kpt #: 219 total cpu time spent up to now is 333.3 secs Computing kpt #: 220 total cpu time spent up to now is 334.7 secs Computing kpt #: 221 total cpu time spent up to now is 336.1 secs Computing kpt #: 222 total cpu time spent up to now is 337.5 secs Computing kpt #: 223 total cpu time spent up to now is 338.8 secs Computing kpt #: 224 total cpu time spent up to now is 340.2 secs Computing kpt #: 225 total cpu time spent up to now is 341.6 secs Computing kpt #: 226 total cpu time spent up to now is 343.0 secs Computing kpt #: 227 total cpu time spent up to now is 344.3 secs Computing kpt #: 228 total cpu time spent up to now is 345.7 secs Computing kpt #: 229 total cpu time spent up to now is 347.1 secs Computing kpt #: 230 total cpu time spent up to now is 348.5 secs Computing kpt #: 231 total cpu time spent up to now is 349.8 secs Computing kpt #: 232 total cpu time spent up to now is 351.2 secs Computing kpt #: 233 total cpu time spent up to now is 352.6 secs Computing kpt #: 234 total cpu time spent up to now is 354.0 secs Computing kpt #: 235 total cpu time spent up to now is 355.4 secs Computing kpt #: 236 total cpu time spent up to now is 356.8 secs Computing kpt #: 237 total cpu time spent up to now is 358.1 secs Computing kpt #: 238 total cpu time spent up to now is 359.5 secs Computing kpt #: 239 total cpu time spent up to now is 360.9 secs Computing kpt #: 240 total cpu time spent up to now is 362.2 secs Computing kpt #: 241 total cpu time spent up to now is 363.6 secs Computing kpt #: 242 total cpu time spent up to now is 364.9 secs Computing kpt #: 243 total cpu time spent up to now is 366.3 secs Computing kpt #: 244 total cpu time spent up to now is 367.6 secs Computing kpt #: 245 total cpu time spent up to now is 368.9 secs Computing kpt #: 246 total cpu time spent up to now is 370.2 secs Computing kpt #: 247 total cpu time spent up to now is 371.6 secs Computing kpt #: 248 total cpu time spent up to now is 372.9 secs Computing kpt #: 249 total cpu time spent up to now is 374.3 secs Computing kpt #: 250 total cpu time spent up to now is 375.7 secs Computing kpt #: 251 total cpu time spent up to now is 377.1 secs Computing kpt #: 252 total cpu time spent up to now is 378.7 secs Computing kpt #: 253 total cpu time spent up to now is 380.2 secs Computing kpt #: 254 total cpu time spent up to now is 381.6 secs Computing kpt #: 255 total cpu time spent up to now is 382.9 secs Computing kpt #: 256 total cpu time spent up to now is 384.3 secs Computing kpt #: 257 total cpu time spent up to now is 385.6 secs Computing kpt #: 258 total cpu time spent up to now is 387.0 secs Computing kpt #: 259 total cpu time spent up to now is 388.3 secs Computing kpt #: 260 total cpu time spent up to now is 389.7 secs Computing kpt #: 261 total cpu time spent up to now is 391.0 secs Computing kpt #: 262 total cpu time spent up to now is 392.4 secs Computing kpt #: 263 total cpu time spent up to now is 393.7 secs Computing kpt #: 264 total cpu time spent up to now is 395.0 secs Computing kpt #: 265 total cpu time spent up to now is 396.4 secs Computing kpt #: 266 total cpu time spent up to now is 397.7 secs Computing kpt #: 267 total cpu time spent up to now is 399.1 secs Computing kpt #: 268 total cpu time spent up to now is 400.4 secs Computing kpt #: 269 total cpu time spent up to now is 401.8 secs Computing kpt #: 270 total cpu time spent up to now is 403.2 secs Computing kpt #: 271 total cpu time spent up to now is 404.5 secs Computing kpt #: 272 total cpu time spent up to now is 405.9 secs Computing kpt #: 273 total cpu time spent up to now is 407.2 secs Computing kpt #: 274 total cpu time spent up to now is 408.8 secs Computing kpt #: 275 total cpu time spent up to now is 410.5 secs Computing kpt #: 276 total cpu time spent up to now is 412.2 secs Computing kpt #: 277 total cpu time spent up to now is 414.2 secs Computing kpt #: 278 total cpu time spent up to now is 416.1 secs Computing kpt #: 279 total cpu time spent up to now is 417.9 secs Computing kpt #: 280 total cpu time spent up to now is 419.8 secs Computing kpt #: 281 total cpu time spent up to now is 421.5 secs Computing kpt #: 282 total cpu time spent up to now is 423.6 secs Computing kpt #: 283 total cpu time spent up to now is 425.4 secs Computing kpt #: 284 total cpu time spent up to now is 427.1 secs Computing kpt #: 285 total cpu time spent up to now is 428.5 secs Computing kpt #: 286 total cpu time spent up to now is 430.4 secs Computing kpt #: 287 total cpu time spent up to now is 432.3 secs Computing kpt #: 288 total cpu time spent up to now is 434.1 secs Computing kpt #: 289 total cpu time spent up to now is 435.8 secs Computing kpt #: 290 total cpu time spent up to now is 437.9 secs Computing kpt #: 291 total cpu time spent up to now is 439.8 secs Computing kpt #: 292 total cpu time spent up to now is 441.6 secs Computing kpt #: 293 total cpu time spent up to now is 443.3 secs Computing kpt #: 294 total cpu time spent up to now is 445.1 secs Computing kpt #: 295 total cpu time spent up to now is 446.9 secs Computing kpt #: 296 total cpu time spent up to now is 448.8 secs Computing kpt #: 297 total cpu time spent up to now is 450.7 secs Computing kpt #: 298 total cpu time spent up to now is 452.5 secs Computing kpt #: 299 total cpu time spent up to now is 454.3 secs Computing kpt #: 300 total cpu time spent up to now is 456.2 secs Computing kpt #: 301 total cpu time spent up to now is 457.9 secs Computing kpt #: 302 total cpu time spent up to now is 459.7 secs Computing kpt #: 303 total cpu time spent up to now is 461.4 secs Computing kpt #: 304 total cpu time spent up to now is 463.1 secs Computing kpt #: 305 total cpu time spent up to now is 464.9 secs Computing kpt #: 306 total cpu time spent up to now is 466.6 secs Computing kpt #: 307 total cpu time spent up to now is 468.3 secs Computing kpt #: 308 total cpu time spent up to now is 470.0 secs Computing kpt #: 309 total cpu time spent up to now is 471.8 secs Computing kpt #: 310 total cpu time spent up to now is 473.5 secs Computing kpt #: 311 total cpu time spent up to now is 475.1 secs Computing kpt #: 312 total cpu time spent up to now is 476.8 secs Computing kpt #: 313 total cpu time spent up to now is 478.4 secs Computing kpt #: 314 total cpu time spent up to now is 480.1 secs Computing kpt #: 315 total cpu time spent up to now is 481.7 secs Computing kpt #: 316 total cpu time spent up to now is 483.3 secs Computing kpt #: 317 total cpu time spent up to now is 484.6 secs Computing kpt #: 318 total cpu time spent up to now is 486.0 secs Computing kpt #: 319 total cpu time spent up to now is 487.4 secs Computing kpt #: 320 total cpu time spent up to now is 488.8 secs Computing kpt #: 321 total cpu time spent up to now is 490.4 secs Computing kpt #: 322 total cpu time spent up to now is 491.8 secs Computing kpt #: 323 total cpu time spent up to now is 493.1 secs Computing kpt #: 324 total cpu time spent up to now is 494.5 secs Computing kpt #: 325 total cpu time spent up to now is 495.9 secs Computing kpt #: 326 total cpu time spent up to now is 497.2 secs Computing kpt #: 327 total cpu time spent up to now is 498.6 secs Computing kpt #: 328 total cpu time spent up to now is 500.0 secs Computing kpt #: 329 total cpu time spent up to now is 501.3 secs Computing kpt #: 330 total cpu time spent up to now is 502.6 secs Computing kpt #: 331 total cpu time spent up to now is 503.9 secs Computing kpt #: 332 total cpu time spent up to now is 505.3 secs Computing kpt #: 333 total cpu time spent up to now is 506.6 secs Computing kpt #: 334 total cpu time spent up to now is 507.8 secs Computing kpt #: 335 total cpu time spent up to now is 509.1 secs Computing kpt #: 336 total cpu time spent up to now is 510.4 secs Computing kpt #: 337 total cpu time spent up to now is 511.6 secs Computing kpt #: 338 total cpu time spent up to now is 512.9 secs Computing kpt #: 339 total cpu time spent up to now is 514.2 secs ethr = 2.78E-08, avg # of iterations = 22.4 total cpu time spent up to now is 514.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12297 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1850 -14.1850 -13.4090 -13.4090 -13.2113 -13.2113 -12.8443 -12.8443 -6.7526 -6.7526 -6.3329 -6.3329 -6.2702 -6.2702 -5.8134 -5.8134 -5.6864 -5.6864 -5.2981 -5.2981 -5.1341 -5.1341 -4.6985 -4.6985 -4.2509 -4.2509 -2.7503 -2.7503 -1.3629 -1.3629 -0.5196 -0.5196 4.3300 4.3300 5.1295 5.1295 6.8257 6.8257 7.3155 7.3155 k =-0.0066 0.0102 0.0178 ( 12301 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1844 -14.1844 -13.4087 -13.4087 -13.2112 -13.2112 -12.8447 -12.8447 -6.7532 -6.7532 -6.3343 -6.3343 -6.2699 -6.2699 -5.8281 -5.8281 -5.6723 -5.6723 -5.2972 -5.2972 -5.1363 -5.1363 -4.6989 -4.6989 -4.2489 -4.2489 -2.7500 -2.7500 -1.3627 -1.3627 -0.5199 -0.5199 4.3318 4.3318 5.1320 5.1320 6.8249 6.8249 7.3166 7.3166 k =-0.0132 0.0204 0.0357 ( 12299 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.1826 -14.1826 -13.4080 -13.4080 -13.2109 -13.2109 -12.8460 -12.8460 -6.7550 -6.7550 -6.3385 -6.3385 -6.2688 -6.2688 -5.8613 -5.8613 -5.6407 -5.6407 -5.2945 -5.2945 -5.1428 -5.1428 -4.7001 -4.7001 -4.2430 -4.2430 -2.7489 -2.7489 -1.3622 -1.3622 -0.5210 -0.5210 4.3370 4.3370 5.1393 5.1393 6.8226 6.8226 7.3197 7.3197 k =-0.0197 0.0307 0.0535 ( 12289 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.1796 -14.1796 -13.4068 -13.4068 -13.2104 -13.2104 -12.8481 -12.8481 -6.7579 -6.7579 -6.3455 -6.3455 -6.2669 -6.2669 -5.9016 -5.9016 -5.6031 -5.6031 -5.2901 -5.2901 -5.1533 -5.1533 -4.7021 -4.7021 -4.2333 -4.2333 -2.7472 -2.7472 -1.3612 -1.3612 -0.5228 -0.5228 4.3457 4.3457 5.1515 5.1515 6.8189 6.8189 7.3249 7.3249 k =-0.0263 0.0409 0.0713 ( 12285 PWs) bands (ev): -98.4148 -98.4148 -98.3976 -98.3976 -14.1754 -14.1754 -13.4052 -13.4052 -13.2097 -13.2097 -12.8511 -12.8511 -6.7619 -6.7619 -6.3551 -6.3551 -6.2644 -6.2644 -5.9448 -5.9448 -5.5637 -5.5637 -5.2841 -5.2841 -5.1677 -5.1677 -4.7050 -4.7050 -4.2201 -4.2201 -2.7449 -2.7449 -1.3599 -1.3599 -0.5253 -0.5253 4.3578 4.3578 5.1685 5.1685 6.8140 6.8140 7.3319 7.3319 k =-0.0329 0.0511 0.0891 ( 12297 PWs) bands (ev): -98.4147 -98.4147 -98.3976 -98.3976 -14.1700 -14.1700 -13.4031 -13.4031 -13.2089 -13.2089 -12.8550 -12.8550 -6.7669 -6.7669 -6.3672 -6.3672 -6.2613 -6.2613 -5.9896 -5.9896 -5.5238 -5.5238 -5.2766 -5.2766 -5.1855 -5.1855 -4.7087 -4.7087 -4.2037 -4.2037 -2.7421 -2.7421 -1.3582 -1.3582 -0.5285 -0.5285 4.3733 4.3733 5.1902 5.1902 6.8081 6.8081 7.3403 7.3403 k =-0.0395 0.0613 0.1070 ( 12295 PWs) bands (ev): -98.4147 -98.4147 -98.3977 -98.3977 -14.1634 -14.1634 -13.4005 -13.4005 -13.2079 -13.2079 -12.8597 -12.8597 -6.7729 -6.7729 -6.3816 -6.3816 -6.2575 -6.2575 -6.0351 -6.0351 -5.4842 -5.4842 -5.2676 -5.2676 -5.2063 -5.2063 -4.7133 -4.7133 -4.1844 -4.1844 -2.7387 -2.7387 -1.3561 -1.3561 -0.5325 -0.5325 4.3922 4.3922 5.2166 5.2166 6.8016 6.8016 7.3499 7.3499 k =-0.0460 0.0716 0.1248 ( 12297 PWs) bands (ev): -98.4146 -98.4146 -98.3978 -98.3978 -14.1557 -14.1557 -13.3976 -13.3976 -13.2067 -13.2067 -12.8653 -12.8653 -6.7797 -6.7797 -6.3981 -6.3981 -6.2532 -6.2532 -6.0810 -6.0810 -5.4451 -5.4451 -5.2575 -5.2575 -5.2296 -5.2296 -4.7187 -4.7187 -4.1626 -4.1626 -2.7351 -2.7351 -1.3536 -1.3536 -0.5372 -0.5372 4.4143 4.4143 5.2475 5.2475 6.7948 6.7948 7.3602 7.3602 k =-0.0526 0.0818 0.1426 ( 12293 PWs) bands (ev): -98.4145 -98.4145 -98.3979 -98.3979 -14.1468 -14.1468 -13.3942 -13.3942 -13.2054 -13.2054 -12.8717 -12.8717 -6.7872 -6.7872 -6.4165 -6.4165 -6.2483 -6.2483 -6.1272 -6.1272 -5.4067 -5.4067 -5.2554 -5.2554 -5.2461 -5.2461 -4.7249 -4.7249 -4.1386 -4.1386 -2.7311 -2.7311 -1.3508 -1.3508 -0.5426 -0.5426 4.4396 4.4396 5.2829 5.2829 6.7881 6.7881 7.3705 7.3705 k =-0.0592 0.0920 0.1604 ( 12287 PWs) bands (ev): -98.4143 -98.4143 -98.3980 -98.3980 -14.1368 -14.1368 -13.3904 -13.3904 -13.2039 -13.2039 -12.8790 -12.8790 -6.7954 -6.7954 -6.4365 -6.4365 -6.2432 -6.2432 -6.1733 -6.1733 -5.3693 -5.3693 -5.2825 -5.2825 -5.2342 -5.2342 -4.7320 -4.7320 -4.1126 -4.1126 -2.7271 -2.7271 -1.3475 -1.3475 -0.5487 -0.5487 4.4680 4.4680 5.3225 5.3225 6.7818 6.7818 7.3803 7.3803 k =-0.0658 0.1022 0.1783 ( 12281 PWs) bands (ev): -98.4142 -98.4142 -98.3982 -98.3982 -14.1256 -14.1256 -13.3862 -13.3862 -13.2024 -13.2024 -12.8872 -12.8872 -6.8040 -6.8040 -6.4580 -6.4580 -6.2377 -6.2377 -6.2194 -6.2194 -5.3328 -5.3328 -5.3110 -5.3110 -5.2213 -5.2213 -4.7399 -4.7399 -4.0850 -4.0850 -2.7231 -2.7231 -1.3439 -1.3439 -0.5556 -0.5556 4.4994 4.4994 5.3662 5.3662 6.7762 6.7762 7.3887 7.3887 k =-0.0724 0.1124 0.1961 ( 12285 PWs) bands (ev): -98.4140 -98.4140 -98.3983 -98.3983 -14.1133 -14.1133 -13.3817 -13.3817 -13.2008 -13.2008 -12.8963 -12.8963 -6.8129 -6.8129 -6.4806 -6.4806 -6.2652 -6.2652 -6.2321 -6.2321 -5.3405 -5.3405 -5.2973 -5.2973 -5.2079 -5.2079 -4.7488 -4.7488 -4.0560 -4.0560 -2.7193 -2.7193 -1.3399 -1.3399 -0.5632 -0.5632 4.5337 4.5337 5.4138 5.4138 6.7718 6.7718 7.3951 7.3951 k =-0.0789 0.1227 0.2139 ( 12297 PWs) bands (ev): -98.4139 -98.4139 -98.3985 -98.3985 -14.0999 -14.0999 -13.3768 -13.3768 -13.1991 -13.1991 -12.9062 -12.9062 -6.8220 -6.8220 -6.5042 -6.5042 -6.3106 -6.3106 -6.2265 -6.2265 -5.3703 -5.3703 -5.2629 -5.2629 -5.1940 -5.1940 -4.7584 -4.7584 -4.0258 -4.0258 -2.7157 -2.7157 -1.3356 -1.3356 -0.5716 -0.5716 4.5708 4.5708 5.4651 5.4651 6.7687 6.7687 7.3985 7.3985 k =-0.0855 0.1329 0.2317 ( 12299 PWs) bands (ev): -98.4137 -98.4137 -98.3987 -98.3987 -14.0854 -14.0854 -13.3717 -13.3717 -13.1974 -13.1974 -12.9170 -12.9170 -6.8311 -6.8311 -6.5286 -6.5286 -6.3555 -6.3555 -6.2212 -6.2212 -5.4003 -5.4003 -5.2297 -5.2297 -5.1799 -5.1799 -4.7690 -4.7690 -3.9945 -3.9945 -2.7126 -2.7126 -1.3308 -1.3308 -0.5807 -0.5807 4.6106 4.6106 5.5199 5.5199 6.7672 6.7672 7.3982 7.3982 k =-0.0921 0.1431 0.2496 ( 12295 PWs) bands (ev): -98.4135 -98.4135 -98.3989 -98.3989 -14.0699 -14.0699 -13.3662 -13.3662 -13.1956 -13.1956 -12.9287 -12.9287 -6.8401 -6.8401 -6.5535 -6.5535 -6.3998 -6.3998 -6.2163 -6.2163 -5.4298 -5.4298 -5.1978 -5.1978 -5.1655 -5.1655 -4.7803 -4.7803 -3.9623 -3.9623 -2.7101 -2.7101 -1.3256 -1.3256 -0.5906 -0.5906 4.6528 4.6528 5.5780 5.5780 6.7675 6.7675 7.3934 7.3934 k =-0.0987 0.1533 0.2674 ( 12305 PWs) bands (ev): -98.4133 -98.4133 -98.3991 -98.3991 -14.0533 -14.0533 -13.3606 -13.3606 -13.1939 -13.1939 -12.9413 -12.9413 -6.8489 -6.8489 -6.5788 -6.5788 -6.4435 -6.4435 -6.2122 -6.2122 -5.4586 -5.4586 -5.1670 -5.1670 -5.1510 -5.1510 -4.7926 -4.7926 -3.9292 -3.9292 -2.7083 -2.7083 -1.3201 -1.3201 -0.6012 -0.6012 4.6975 4.6975 5.6391 5.6391 6.7697 6.7697 7.3836 7.3836 k =-0.1052 0.1636 0.2852 ( 12297 PWs) bands (ev): -98.4131 -98.4131 -98.3993 -98.3993 -14.0357 -14.0357 -13.3547 -13.3547 -13.1922 -13.1922 -12.9547 -12.9547 -6.8572 -6.8572 -6.6042 -6.6042 -6.4862 -6.4862 -6.2091 -6.2091 -5.4860 -5.4860 -5.1377 -5.1377 -5.1365 -5.1365 -4.8056 -4.8056 -3.8955 -3.8955 -2.7074 -2.7074 -1.3141 -1.3141 -0.6126 -0.6126 4.7444 4.7444 5.7029 5.7029 6.7738 6.7738 7.3684 7.3684 k =-0.1118 0.1738 0.3031 ( 12311 PWs) bands (ev): -98.4129 -98.4129 -98.3995 -98.3995 -14.0172 -14.0172 -13.3486 -13.3486 -13.1906 -13.1906 -12.9690 -12.9690 -6.8649 -6.8649 -6.6296 -6.6296 -6.5281 -6.5281 -6.2075 -6.2075 -5.5117 -5.5117 -5.1223 -5.1223 -5.1093 -5.1093 -4.8195 -4.8195 -3.8611 -3.8611 -2.7075 -2.7075 -1.3078 -1.3078 -0.6247 -0.6247 4.7934 4.7934 5.7692 5.7692 6.7799 6.7799 7.3479 7.3479 k =-0.1184 0.1840 0.3209 ( 12301 PWs) bands (ev): -98.4126 -98.4126 -98.3998 -98.3998 -13.9977 -13.9977 -13.3424 -13.3424 -13.1891 -13.1891 -12.9842 -12.9842 -6.8720 -6.8720 -6.6547 -6.6547 -6.5689 -6.5689 -6.2076 -6.2076 -5.5350 -5.5350 -5.1082 -5.1082 -5.0825 -5.0825 -4.8342 -4.8342 -3.8261 -3.8261 -2.7086 -2.7086 -1.3010 -1.3010 -0.6376 -0.6376 4.8443 4.8443 5.8377 5.8377 6.7878 6.7878 7.3221 7.3221 k =-0.1250 0.1942 0.3387 ( 12285 PWs) bands (ev): -98.4124 -98.4124 -98.4000 -98.4000 -13.9772 -13.9772 -13.3361 -13.3361 -13.1877 -13.1877 -13.0002 -13.0002 -6.8782 -6.8782 -6.6795 -6.6795 -6.6086 -6.6086 -6.2099 -6.2099 -5.5556 -5.5556 -5.0944 -5.0944 -5.0570 -5.0570 -4.8497 -4.8497 -3.7907 -3.7907 -2.7110 -2.7110 -1.2938 -1.2938 -0.6512 -0.6512 4.8969 4.8969 5.9080 5.9080 6.7976 6.7976 7.2916 7.2916 k =-0.1316 0.2044 0.3565 ( 12277 PWs) bands (ev): -98.4121 -98.4121 -98.4003 -98.4003 -13.9559 -13.9559 -13.3298 -13.3298 -13.1865 -13.1865 -13.0171 -13.0171 -6.8835 -6.8835 -6.7037 -6.7037 -6.6471 -6.6471 -6.2146 -6.2146 -5.5730 -5.5730 -5.0810 -5.0810 -5.0329 -5.0329 -4.8659 -4.8659 -3.7549 -3.7549 -2.7146 -2.7146 -1.2862 -1.2862 -0.6656 -0.6656 4.9512 4.9512 5.9798 5.9798 6.8089 6.8089 7.2570 7.2570 k =-0.1381 0.2147 0.3744 ( 12257 PWs) bands (ev): -98.4118 -98.4118 -98.4005 -98.4005 -13.9337 -13.9337 -13.3234 -13.3234 -13.1855 -13.1855 -13.0347 -13.0347 -6.8877 -6.8877 -6.7273 -6.7273 -6.6842 -6.6842 -6.2222 -6.2222 -5.5867 -5.5867 -5.0680 -5.0680 -5.0101 -5.0101 -4.8829 -4.8829 -3.7186 -3.7186 -2.7197 -2.7197 -1.2781 -1.2781 -0.6807 -0.6807 5.0068 5.0068 6.0528 6.0528 6.8217 6.8217 7.2189 7.2189 k =-0.1447 0.2249 0.3922 ( 12263 PWs) bands (ev): -98.4116 -98.4116 -98.4008 -98.4008 -13.9107 -13.9107 -13.3170 -13.3170 -13.1847 -13.1847 -13.0532 -13.0532 -6.8907 -6.8907 -6.7500 -6.7500 -6.7200 -6.7200 -6.2328 -6.2328 -5.5966 -5.5966 -5.0555 -5.0555 -4.9888 -4.9888 -4.9006 -4.9006 -3.6821 -3.6821 -2.7261 -2.7261 -1.2696 -1.2696 -0.6965 -0.6965 5.0637 5.0637 6.1266 6.1266 6.8355 6.8355 7.1782 7.1782 k =-0.1513 0.2351 0.4100 ( 12261 PWs) bands (ev): -98.4113 -98.4113 -98.4011 -98.4011 -13.8869 -13.8869 -13.3107 -13.3107 -13.1841 -13.1841 -13.0724 -13.0724 -6.8924 -6.8924 -6.7717 -6.7717 -6.7542 -6.7542 -6.2464 -6.2464 -5.6024 -5.6024 -5.0436 -5.0436 -4.9688 -4.9688 -4.9190 -4.9190 -3.6453 -3.6453 -2.7340 -2.7340 -1.2607 -1.2607 -0.7130 -0.7130 5.1216 5.1216 6.2008 6.2008 6.8501 6.8501 7.1356 7.1356 k =-0.1579 0.2453 0.4278 ( 12269 PWs) bands (ev): -98.4110 -98.4110 -98.4014 -98.4014 -13.8623 -13.8623 -13.3044 -13.3044 -13.1839 -13.1839 -13.0924 -13.0924 -6.8928 -6.8928 -6.7923 -6.7923 -6.7868 -6.7868 -6.2629 -6.2629 -5.6042 -5.6042 -5.0323 -5.0323 -4.9503 -4.9503 -4.9380 -4.9380 -3.6082 -3.6082 -2.7435 -2.7435 -1.2513 -1.2513 -0.7302 -0.7302 5.1803 5.1803 6.2750 6.2750 6.8652 6.8652 7.0918 7.0918 k =-0.1645 0.2556 0.4457 ( 12273 PWs) bands (ev): -98.4107 -98.4107 -98.4017 -98.4017 -13.8371 -13.8371 -13.2983 -13.2983 -13.1839 -13.1839 -13.1132 -13.1132 -6.8918 -6.8918 -6.8177 -6.8177 -6.8117 -6.8117 -6.2821 -6.2821 -5.6022 -5.6022 -5.0217 -5.0217 -4.9576 -4.9576 -4.9332 -4.9332 -3.5710 -3.5710 -2.7545 -2.7545 -1.2414 -1.2414 -0.7480 -0.7480 5.2396 5.2396 6.3488 6.3488 6.8803 6.8803 7.0474 7.0474 k =-0.1710 0.2658 0.4635 ( 12293 PWs) bands (ev): -98.4104 -98.4104 -98.4020 -98.4020 -13.8112 -13.8112 -13.2923 -13.2923 -13.1843 -13.1843 -13.1346 -13.1346 -6.8893 -6.8893 -6.8468 -6.8468 -6.8298 -6.8298 -6.3038 -6.3038 -5.5965 -5.5965 -5.0118 -5.0118 -4.9778 -4.9778 -4.9175 -4.9175 -3.5337 -3.5337 -2.7671 -2.7671 -1.2311 -1.2311 -0.7665 -0.7665 5.2994 5.2994 6.4216 6.4216 6.8950 6.8950 7.0029 7.0029 k =-0.1776 0.2760 0.4813 ( 12293 PWs) bands (ev): -98.4100 -98.4100 -98.4023 -98.4023 -13.7847 -13.7847 -13.2866 -13.2866 -13.1850 -13.1850 -13.1567 -13.1567 -6.8852 -6.8852 -6.8741 -6.8741 -6.8464 -6.8464 -6.3275 -6.3275 -5.5876 -5.5876 -5.0027 -5.0027 -4.9984 -4.9984 -4.9032 -4.9032 -3.4963 -3.4963 -2.7812 -2.7812 -1.2203 -1.2203 -0.7857 -0.7857 5.3593 5.3593 6.4929 6.4929 6.9089 6.9089 6.9588 6.9588 k =-0.1842 0.2862 0.4992 ( 12293 PWs) bands (ev): -98.4097 -98.4097 -98.4027 -98.4027 -13.7576 -13.7576 -13.2810 -13.2810 -13.1860 -13.1860 -13.1795 -13.1795 -6.8995 -6.8995 -6.8795 -6.8795 -6.8614 -6.8614 -6.3528 -6.3528 -5.5757 -5.5757 -5.0198 -5.0198 -4.9942 -4.9942 -4.8903 -4.8903 -3.4589 -3.4589 -2.7968 -2.7968 -1.2090 -1.2090 -0.8054 -0.8054 5.4192 5.4192 6.5623 6.5623 6.9154 6.9154 6.9216 6.9216 k =-0.1908 0.2964 0.5170 ( 12293 PWs) bands (ev): -98.4094 -98.4094 -98.4030 -98.4030 -13.7299 -13.7299 -13.2758 -13.2758 -13.2028 -13.2028 -13.1875 -13.1875 -6.9230 -6.9230 -6.8749 -6.8749 -6.8721 -6.8721 -6.3793 -6.3793 -5.5612 -5.5612 -5.0414 -5.0414 -4.9867 -4.9867 -4.8789 -4.8789 -3.4215 -3.4215 -2.8140 -2.8140 -1.1972 -1.1972 -0.8257 -0.8257 5.4788 5.4788 6.6290 6.6290 6.8731 6.8731 6.9327 6.9327 k =-0.1973 0.3067 0.5348 ( 12297 PWs) bands (ev): -98.4090 -98.4090 -98.4033 -98.4033 -13.7018 -13.7018 -13.2708 -13.2708 -13.2267 -13.2267 -13.1894 -13.1894 -6.9443 -6.9443 -6.8866 -6.8866 -6.8632 -6.8632 -6.4068 -6.4068 -5.5444 -5.5444 -5.0634 -5.0634 -4.9801 -4.9801 -4.8688 -4.8688 -3.3842 -3.3842 -2.8327 -2.8327 -1.1850 -1.1850 -0.8466 -0.8466 5.5379 5.5379 6.6926 6.6926 6.8320 6.8320 6.9418 6.9418 k =-0.2039 0.3169 0.5526 ( 12293 PWs) bands (ev): -98.4087 -98.4087 -98.4037 -98.4037 -13.6733 -13.6733 -13.2662 -13.2662 -13.2511 -13.2511 -13.1917 -13.1917 -6.9636 -6.9636 -6.8966 -6.8966 -6.8526 -6.8526 -6.4348 -6.4348 -5.5257 -5.5257 -5.0858 -5.0858 -4.9744 -4.9744 -4.8602 -4.8602 -3.3471 -3.3471 -2.8528 -2.8528 -1.1723 -1.1723 -0.8679 -0.8679 5.5961 5.5961 6.7524 6.7524 6.7923 6.7923 6.9485 6.9485 k =-0.2105 0.3271 0.5705 ( 12299 PWs) bands (ev): -98.4083 -98.4083 -98.4040 -98.4040 -13.6444 -13.6444 -13.2760 -13.2760 -13.2619 -13.2619 -13.1945 -13.1945 -6.9808 -6.9808 -6.9048 -6.9048 -6.8402 -6.8402 -6.4630 -6.4630 -5.5052 -5.5052 -5.1084 -5.1084 -4.9697 -4.9697 -4.8529 -4.8529 -3.3102 -3.3102 -2.8744 -2.8744 -1.1591 -1.1591 -0.8898 -0.8898 5.6533 5.6533 6.7541 6.7541 6.8078 6.8078 6.9525 6.9525 k =-0.2171 0.3373 0.5883 ( 12303 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.6152 -13.6152 -13.3013 -13.3013 -13.2580 -13.2580 -13.1976 -13.1976 -6.9957 -6.9957 -6.9110 -6.9110 -6.8262 -6.8262 -6.4912 -6.4912 -5.4832 -5.4832 -5.1313 -5.1313 -4.9659 -4.9659 -4.8470 -4.8470 -3.2736 -3.2736 -2.8973 -2.8973 -1.1455 -1.1455 -0.9120 -0.9120 5.7092 5.7092 6.7174 6.7174 6.8582 6.8582 6.9536 6.9536 k =-0.2237 0.3476 0.6061 ( 12301 PWs) bands (ev): -98.4076 -98.4076 -98.4047 -98.4047 -13.5857 -13.5857 -13.3270 -13.3270 -13.2545 -13.2545 -13.2013 -13.2013 -7.0085 -7.0085 -6.9153 -6.9153 -6.8106 -6.8106 -6.5192 -6.5192 -5.4600 -5.4600 -5.1543 -5.1543 -4.9631 -4.9631 -4.8425 -4.8425 -3.2374 -3.2374 -2.9215 -2.9215 -1.1315 -1.1315 -0.9347 -0.9347 5.7635 5.7635 6.6822 6.6822 6.9031 6.9031 6.9516 6.9516 k =-0.2302 0.3578 0.6239 ( 12301 PWs) bands (ev): -98.4073 -98.4073 -98.4051 -98.4051 -13.5560 -13.5560 -13.3530 -13.3530 -13.2515 -13.2515 -13.2054 -13.2054 -7.0190 -7.0190 -6.9177 -6.9177 -6.7933 -6.7933 -6.5466 -6.5466 -5.4357 -5.4357 -5.1774 -5.1774 -4.9614 -4.9614 -4.8393 -4.8393 -3.2016 -3.2016 -2.9470 -2.9470 -1.1170 -1.1170 -0.9577 -0.9577 5.8158 5.8158 6.6484 6.6484 6.9422 6.9422 6.9464 6.9464 k =-0.2368 0.3680 0.6418 ( 12293 PWs) bands (ev): -98.4069 -98.4069 -98.4055 -98.4055 -13.5262 -13.5262 -13.3792 -13.3792 -13.2489 -13.2489 -13.2099 -13.2099 -7.0272 -7.0272 -6.9180 -6.9180 -6.7745 -6.7745 -6.5735 -6.5735 -5.4105 -5.4105 -5.2005 -5.2005 -4.9607 -4.9607 -4.8374 -4.8374 -3.1663 -3.1663 -2.9736 -2.9736 -1.1021 -1.1021 -0.9810 -0.9810 5.8660 5.8660 6.6159 6.6159 6.9376 6.9376 6.9755 6.9755 k =-0.2434 0.3782 0.6596 ( 12285 PWs) bands (ev): -98.4066 -98.4066 -98.4058 -98.4058 -13.4963 -13.4963 -13.4057 -13.4057 -13.2467 -13.2467 -13.2149 -13.2149 -7.0332 -7.0332 -6.9163 -6.9163 -6.7540 -6.7540 -6.5996 -6.5996 -5.3844 -5.3844 -5.2236 -5.2236 -4.9611 -4.9611 -4.8368 -4.8368 -3.1316 -3.1316 -3.0014 -3.0014 -1.0869 -1.0869 -1.0046 -1.0046 5.9137 5.9137 6.5843 6.5843 6.9255 6.9255 7.0028 7.0028 k =-0.2500 0.3885 0.6774 ( 12279 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4663 -13.4663 -13.4324 -13.4324 -13.2450 -13.2450 -13.2203 -13.2203 -7.0369 -7.0369 -6.9126 -6.9126 -6.7321 -6.7321 -6.6248 -6.6248 -5.3578 -5.3578 -5.2466 -5.2466 -4.9625 -4.9625 -4.8375 -4.8375 -3.0976 -3.0976 -3.0302 -3.0302 -1.0713 -1.0713 -1.0284 -1.0284 5.9587 5.9587 6.5533 6.5533 6.9100 6.9100 7.0244 7.0244 k =-0.2565 0.3987 0.6952 ( 12285 PWs) bands (ev): -98.4065 -98.4065 -98.4058 -98.4058 -13.4591 -13.4591 -13.4364 -13.4364 -13.2437 -13.2437 -13.2262 -13.2262 -7.0383 -7.0383 -6.9069 -6.9069 -6.7088 -6.7088 -6.6489 -6.6489 -5.3306 -5.3306 -5.2694 -5.2694 -4.9651 -4.9651 -4.8394 -4.8394 -3.0644 -3.0644 -3.0601 -3.0601 -1.0553 -1.0553 -1.0523 -1.0523 6.0008 6.0008 6.5225 6.5225 6.8911 6.8911 7.0407 7.0407 k =-0.2631 0.4089 0.7131 ( 12269 PWs) bands (ev): -98.4069 -98.4069 -98.4055 -98.4055 -13.4859 -13.4859 -13.4065 -13.4065 -13.2430 -13.2430 -13.2324 -13.2324 -7.0374 -7.0374 -6.8991 -6.8991 -6.6841 -6.6841 -6.6719 -6.6719 -5.3029 -5.3029 -5.2919 -5.2919 -4.9687 -4.9687 -4.8426 -4.8426 -3.0908 -3.0908 -3.0319 -3.0319 -1.0764 -1.0764 -1.0391 -1.0391 6.0396 6.0396 6.4914 6.4914 6.8690 6.8690 7.0523 7.0523 k =-0.2697 0.4191 0.7309 ( 12287 PWs) bands (ev): -98.4073 -98.4073 -98.4051 -98.4051 -13.5127 -13.5127 -13.3768 -13.3768 -13.2427 -13.2427 -13.2390 -13.2390 -7.0344 -7.0344 -6.8893 -6.8893 -6.6937 -6.6937 -6.6581 -6.6581 -5.3141 -5.3141 -5.2750 -5.2750 -4.9734 -4.9734 -4.8469 -4.8469 -3.1224 -3.1224 -3.0004 -3.0004 -1.1006 -1.1006 -1.0226 -1.0226 6.0750 6.0750 6.4594 6.4594 6.8438 6.8438 7.0596 7.0596 k =-0.2763 0.4293 0.7487 ( 12285 PWs) bands (ev): -98.4076 -98.4076 -98.4048 -98.4048 -13.5394 -13.5394 -13.3473 -13.3473 -13.2461 -13.2461 -13.2428 -13.2428 -7.0291 -7.0291 -6.8776 -6.8776 -6.7142 -6.7142 -6.6309 -6.6309 -5.3358 -5.3358 -5.2468 -5.2468 -4.9792 -4.9792 -4.8524 -4.8524 -3.1548 -3.1548 -2.9699 -2.9699 -1.1248 -1.1248 -1.0059 -1.0059 6.1069 6.1069 6.4257 6.4257 6.8156 6.8156 7.0631 7.0631 k =-0.2829 0.4396 0.7666 ( 12285 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5661 -13.5661 -13.3181 -13.3181 -13.2534 -13.2534 -13.2434 -13.2434 -7.0216 -7.0216 -6.8638 -6.8638 -6.7333 -6.7333 -6.6027 -6.6027 -5.3570 -5.3570 -5.2185 -5.2185 -4.9861 -4.9861 -4.8590 -4.8590 -3.1880 -3.1880 -2.9405 -2.9405 -1.1489 -1.1489 -0.9890 -0.9890 6.1351 6.1351 6.3899 6.3899 6.7846 6.7846 7.0634 7.0634 k =-0.2829 0.4396 0.7666 ( 12285 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5661 -13.5661 -13.3181 -13.3181 -13.2534 -13.2534 -13.2434 -13.2434 -7.0216 -7.0216 -6.8638 -6.8638 -6.7333 -6.7333 -6.6027 -6.6027 -5.3570 -5.3570 -5.2185 -5.2185 -4.9861 -4.9861 -4.8590 -4.8590 -3.1880 -3.1880 -2.9405 -2.9405 -1.1489 -1.1489 -0.9890 -0.9890 6.1351 6.1351 6.3899 6.3899 6.7846 6.7846 7.0634 7.0634 k =-0.2734 0.4249 0.7784 ( 12285 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5660 -13.5660 -13.3180 -13.3180 -13.2535 -13.2535 -13.2434 -13.2434 -7.0219 -7.0219 -6.8644 -6.8644 -6.7334 -6.7334 -6.6025 -6.6025 -5.3570 -5.3570 -5.2185 -5.2185 -4.9858 -4.9858 -4.8589 -4.8589 -3.1876 -3.1876 -2.9401 -2.9401 -1.1487 -1.1487 -0.9890 -0.9890 6.1361 6.1361 6.3895 6.3895 6.7800 6.7800 7.0662 7.0662 k =-0.2640 0.4102 0.7903 ( 12287 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5658 -13.5658 -13.3178 -13.3178 -13.2539 -13.2539 -13.2434 -13.2434 -7.0226 -7.0226 -6.8661 -6.8661 -6.7337 -6.7337 -6.6019 -6.6019 -5.3573 -5.3573 -5.2182 -5.2182 -4.9849 -4.9849 -4.8586 -4.8586 -3.1864 -3.1864 -2.9390 -2.9390 -1.1481 -1.1481 -0.9891 -0.9891 6.1389 6.1389 6.3886 6.3886 6.7668 6.7668 7.0740 7.0741 k =-0.2545 0.3956 0.8022 ( 12285 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5654 -13.5654 -13.3175 -13.3175 -13.2545 -13.2545 -13.2433 -13.2433 -7.0237 -7.0237 -6.8688 -6.8688 -6.7342 -6.7342 -6.6008 -6.6008 -5.3576 -5.3576 -5.2177 -5.2177 -4.9835 -4.9835 -4.8582 -4.8582 -3.1844 -3.1844 -2.9372 -2.9372 -1.1472 -1.1472 -0.9891 -0.9891 6.1435 6.1435 6.3870 6.3870 6.7466 6.7466 7.0747 7.0747 k =-0.2451 0.3809 0.8141 ( 12279 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5649 -13.5649 -13.3171 -13.3171 -13.2553 -13.2553 -13.2432 -13.2432 -7.0252 -7.0252 -6.8725 -6.8725 -6.7348 -6.7348 -6.5994 -6.5994 -5.3582 -5.3582 -5.2171 -5.2171 -4.9814 -4.9814 -4.8576 -4.8576 -3.1817 -3.1817 -2.9347 -2.9347 -1.1459 -1.1459 -0.9892 -0.9892 6.1499 6.1499 6.3849 6.3849 6.7210 6.7210 7.0742 7.0742 k =-0.2357 0.3662 0.8260 ( 12285 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5642 -13.5642 -13.3166 -13.3166 -13.2564 -13.2564 -13.2431 -13.2431 -7.0272 -7.0272 -6.8771 -6.8771 -6.7357 -6.7357 -6.5977 -6.5977 -5.3588 -5.3588 -5.2163 -5.2163 -4.9788 -4.9788 -4.8569 -4.8569 -3.1783 -3.1783 -2.9315 -2.9315 -1.1443 -1.1443 -0.9893 -0.9893 6.1581 6.1581 6.3823 6.3823 6.6916 6.6916 7.0737 7.0737 k =-0.2262 0.3516 0.8379 ( 12279 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5635 -13.5635 -13.3160 -13.3160 -13.2576 -13.2576 -13.2429 -13.2429 -7.0294 -7.0294 -6.8825 -6.8825 -6.7367 -6.7367 -6.5957 -6.5957 -5.3596 -5.3596 -5.2153 -5.2153 -4.9758 -4.9758 -4.8560 -4.8560 -3.1742 -3.1742 -2.9277 -2.9277 -1.1423 -1.1423 -0.9894 -0.9894 6.1680 6.1680 6.3794 6.3794 6.6595 6.6595 7.0734 7.0734 k =-0.2168 0.3369 0.8498 ( 12275 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5626 -13.5626 -13.3153 -13.3153 -13.2591 -13.2591 -13.2427 -13.2427 -7.0320 -7.0320 -6.8887 -6.8887 -6.7379 -6.7379 -6.5936 -6.5936 -5.3606 -5.3606 -5.2142 -5.2142 -4.9722 -4.9722 -4.8550 -4.8550 -3.1695 -3.1695 -2.9233 -2.9233 -1.1401 -1.1401 -0.9896 -0.9896 6.1795 6.1795 6.3763 6.3763 6.6255 6.6255 7.0735 7.0735 k =-0.2073 0.3222 0.8617 ( 12268 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5617 -13.5617 -13.3145 -13.3145 -13.2607 -13.2607 -13.2425 -13.2425 -7.0349 -7.0349 -6.8954 -6.8954 -6.7392 -6.7392 -6.5913 -6.5913 -5.3617 -5.3617 -5.2129 -5.2129 -4.9683 -4.9683 -4.8539 -4.8539 -3.1642 -3.1642 -2.9184 -2.9184 -1.1375 -1.1375 -0.9898 -0.9898 6.1924 6.1924 6.3731 6.3731 6.5904 6.5904 7.0740 7.0740 k =-0.1979 0.3076 0.8736 ( 12269 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5606 -13.5606 -13.3136 -13.3136 -13.2624 -13.2624 -13.2422 -13.2422 -7.0380 -7.0380 -6.9026 -6.9026 -6.7407 -6.7407 -6.5890 -6.5890 -5.3629 -5.3629 -5.2114 -5.2114 -4.9639 -4.9639 -4.8528 -4.8528 -3.1585 -3.1585 -2.9130 -2.9130 -1.1348 -1.1348 -0.9900 -0.9900 6.2066 6.2066 6.3701 6.3701 6.5545 6.5545 7.0752 7.0752 k =-0.1885 0.2929 0.8855 ( 12275 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5595 -13.5595 -13.3126 -13.3126 -13.2644 -13.2644 -13.2419 -13.2419 -7.0412 -7.0412 -6.9101 -6.9101 -6.7424 -6.7424 -6.5866 -6.5866 -5.3643 -5.3643 -5.2098 -5.2098 -4.9593 -4.9593 -4.8516 -4.8516 -3.1524 -3.1524 -2.9073 -2.9073 -1.1319 -1.1319 -0.9902 -0.9902 6.2219 6.2219 6.3676 6.3676 6.5184 6.5184 7.0773 7.0773 k =-0.1790 0.2782 0.8974 ( 12276 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5584 -13.5584 -13.3116 -13.3116 -13.2664 -13.2664 -13.2415 -13.2415 -7.0445 -7.0445 -6.9180 -6.9180 -6.7441 -6.7441 -6.5842 -6.5842 -5.3658 -5.3658 -5.2081 -5.2081 -4.9543 -4.9543 -4.8505 -4.8505 -3.1460 -3.1460 -2.9013 -2.9013 -1.1288 -1.1288 -0.9904 -0.9904 6.2380 6.2380 6.3657 6.3657 6.4823 6.4823 7.0804 7.0804 k =-0.1696 0.2635 0.9093 ( 12272 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5573 -13.5573 -13.3105 -13.3105 -13.2685 -13.2685 -13.2411 -13.2411 -7.0479 -7.0479 -6.9259 -6.9259 -6.7460 -6.7460 -6.5818 -6.5818 -5.3675 -5.3675 -5.2063 -5.2063 -4.9492 -4.9492 -4.8493 -4.8493 -3.1393 -3.1393 -2.8950 -2.8950 -1.1257 -1.1257 -0.9906 -0.9906 6.2546 6.2546 6.3650 6.3650 6.4466 6.4466 7.0848 7.0848 k =-0.1602 0.2489 0.9212 ( 12272 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5562 -13.5562 -13.3094 -13.3094 -13.2706 -13.2706 -13.2406 -13.2406 -7.0512 -7.0512 -6.9340 -6.9340 -6.7479 -6.7479 -6.5795 -6.5795 -5.3693 -5.3693 -5.2044 -5.2044 -4.9438 -4.9438 -4.8482 -4.8482 -3.1326 -3.1326 -2.8886 -2.8886 -1.1224 -1.1224 -0.9907 -0.9907 6.2711 6.2711 6.3659 6.3659 6.4115 6.4115 7.0907 7.0907 k =-0.1507 0.2342 0.9331 ( 12272 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5551 -13.5551 -13.3083 -13.3083 -13.2728 -13.2728 -13.2401 -13.2401 -7.0545 -7.0545 -6.9420 -6.9420 -6.7500 -6.7500 -6.5772 -6.5772 -5.3712 -5.3712 -5.2024 -5.2024 -4.9383 -4.9383 -4.8472 -4.8472 -3.1259 -3.1259 -2.8821 -2.8821 -1.1192 -1.1192 -0.9909 -0.9909 6.2868 6.2868 6.3691 6.3691 6.3772 6.3772 7.0982 7.0982 k =-0.1413 0.2195 0.9450 ( 12275 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5541 -13.5541 -13.3071 -13.3071 -13.2750 -13.2750 -13.2395 -13.2395 -7.0576 -7.0576 -6.9500 -6.9500 -6.7521 -6.7521 -6.5749 -6.5749 -5.3734 -5.3734 -5.2003 -5.2003 -4.9328 -4.9328 -4.8464 -4.8464 -3.1193 -3.1193 -2.8757 -2.8757 -1.1160 -1.1160 -0.9910 -0.9910 6.3010 6.3010 6.3439 6.3439 6.3754 6.3754 7.1076 7.1076 k =-0.1318 0.2049 0.9569 ( 12271 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5532 -13.5532 -13.3060 -13.3060 -13.2771 -13.2771 -13.2388 -13.2388 -7.0606 -7.0606 -6.9578 -6.9578 -6.7542 -6.7542 -6.5727 -6.5727 -5.3756 -5.3756 -5.1981 -5.1981 -4.9272 -4.9272 -4.8456 -4.8456 -3.1129 -3.1129 -2.8694 -2.8694 -1.1129 -1.1129 -0.9910 -0.9910 6.3118 6.3118 6.3132 6.3132 6.3853 6.3853 7.1192 7.1192 k =-0.1224 0.1902 0.9687 ( 12275 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5525 -13.5525 -13.3049 -13.3049 -13.2792 -13.2792 -13.2381 -13.2381 -7.0633 -7.0633 -6.9653 -6.9653 -6.7563 -6.7563 -6.5704 -6.5704 -5.3780 -5.3780 -5.1959 -5.1959 -4.9216 -4.9216 -4.8451 -4.8451 -3.1068 -3.1068 -2.8632 -2.8632 -1.1099 -1.1099 -0.9909 -0.9909 6.2808 6.2808 6.3234 6.3234 6.3986 6.3986 7.1214 7.1214 k =-0.1130 0.1755 0.9806 ( 12271 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5518 -13.5518 -13.3038 -13.3038 -13.2811 -13.2811 -13.2373 -13.2373 -7.0657 -7.0657 -6.9726 -6.9726 -6.7585 -6.7585 -6.5683 -6.5683 -5.3806 -5.3806 -5.1937 -5.1937 -4.9161 -4.9161 -4.8447 -4.8447 -3.1012 -3.1012 -2.8573 -2.8573 -1.1070 -1.1070 -0.9907 -0.9907 6.2512 6.2512 6.3325 6.3325 6.4144 6.4144 7.1085 7.1085 k =-0.1035 0.1609 0.9925 ( 12269 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5514 -13.5514 -13.3028 -13.3028 -13.2829 -13.2829 -13.2365 -13.2365 -7.0677 -7.0677 -6.9795 -6.9795 -6.7606 -6.7606 -6.5661 -6.5661 -5.3833 -5.3833 -5.1914 -5.1914 -4.9106 -4.9106 -4.8446 -4.8446 -3.0961 -3.0961 -2.8518 -2.8518 -1.1044 -1.1044 -0.9904 -0.9904 6.2229 6.2229 6.3414 6.3414 6.4316 6.4316 7.0944 7.0944 k =-0.1035 0.1609 0.9925 ( 12269 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5514 -13.5514 -13.3028 -13.3028 -13.2829 -13.2829 -13.2365 -13.2365 -7.0677 -7.0677 -6.9795 -6.9795 -6.7606 -6.7606 -6.5661 -6.5661 -5.3833 -5.3833 -5.1914 -5.1914 -4.9106 -4.9106 -4.8446 -4.8446 -3.0961 -3.0961 -2.8518 -2.8518 -1.1044 -1.1044 -0.9904 -0.9904 6.2229 6.2229 6.3414 6.3414 6.4316 6.4316 7.0944 7.0944 k =-0.0920 0.1430 0.9925 ( 12259 PWs) bands (ev): -98.4078 -98.4078 -98.4046 -98.4046 -13.5369 -13.5369 -13.3163 -13.3163 -13.2796 -13.2796 -13.2373 -13.2373 -7.0726 -7.0726 -6.9937 -6.9937 -6.7531 -6.7531 -6.5801 -6.5801 -5.3740 -5.3740 -5.2037 -5.2037 -4.9015 -4.9015 -4.8422 -4.8422 -3.0752 -3.0752 -2.8596 -2.8596 -1.0937 -1.0937 -0.9956 -0.9956 6.2192 6.2192 6.3617 6.3617 6.4287 6.4287 7.0714 7.0714 k =-0.0805 0.1251 0.9925 ( 12253 PWs) bands (ev): -98.4076 -98.4076 -98.4048 -98.4048 -13.5225 -13.5225 -13.3299 -13.3299 -13.2762 -13.2762 -13.2385 -13.2385 -7.0764 -7.0764 -7.0069 -7.0069 -6.7453 -6.7453 -6.5938 -6.5938 -5.3646 -5.3646 -5.2157 -5.2157 -4.8928 -4.8928 -4.8404 -4.8404 -3.0551 -3.0551 -2.8677 -2.8677 -1.0838 -1.0838 -1.0005 -1.0005 6.2177 6.2177 6.3686 6.3686 6.4397 6.4397 7.0415 7.0415 k =-0.0690 0.1072 0.9925 ( 12261 PWs) bands (ev): -98.4074 -98.4074 -98.4050 -98.4050 -13.5082 -13.5082 -13.3434 -13.3434 -13.2728 -13.2728 -13.2399 -13.2399 -7.0791 -7.0791 -7.0192 -7.0192 -6.7371 -6.7371 -6.6072 -6.6072 -5.3551 -5.3551 -5.2275 -5.2275 -4.8847 -4.8847 -4.8394 -4.8394 -3.0360 -3.0360 -2.8763 -2.8763 -1.0745 -1.0745 -1.0051 -1.0051 6.2184 6.2184 6.3613 6.3613 6.4658 6.4658 7.0053 7.0053 k =-0.0575 0.0894 0.9925 ( 12264 PWs) bands (ev): -98.4072 -98.4072 -98.4052 -98.4052 -13.4940 -13.4940 -13.3569 -13.3569 -13.2694 -13.2694 -13.2415 -13.2415 -7.0806 -7.0806 -7.0305 -7.0305 -6.7285 -6.7285 -6.6202 -6.6202 -5.3454 -5.3454 -5.2392 -5.2392 -4.8772 -4.8772 -4.8392 -4.8392 -3.0177 -3.0177 -2.8854 -2.8854 -1.0661 -1.0661 -1.0096 -1.0096 6.2214 6.2214 6.3477 6.3477 6.4997 6.4997 6.9636 6.9636 k =-0.0460 0.0715 0.9925 ( 12264 PWs) bands (ev): -98.4070 -98.4070 -98.4054 -98.4054 -13.4800 -13.4800 -13.3705 -13.3705 -13.2661 -13.2661 -13.2435 -13.2435 -7.0809 -7.0809 -7.0407 -7.0407 -6.7195 -6.7195 -6.6329 -6.6329 -5.3355 -5.3355 -5.2506 -5.2506 -4.8702 -4.8702 -4.8397 -4.8397 -3.0005 -3.0005 -2.8950 -2.8950 -1.0583 -1.0583 -1.0141 -1.0141 6.2267 6.2267 6.3319 6.3319 6.5381 6.5381 6.9177 6.9177 k =-0.0345 0.0536 0.9925 ( 12253 PWs) bands (ev): -98.4068 -98.4068 -98.4056 -98.4056 -13.4660 -13.4660 -13.3840 -13.3840 -13.2628 -13.2628 -13.2457 -13.2457 -7.0801 -7.0801 -7.0498 -7.0498 -6.7101 -6.7101 -6.6451 -6.6451 -5.3255 -5.3255 -5.2619 -5.2619 -4.8639 -4.8639 -4.8409 -4.8409 -2.9841 -2.9841 -2.9054 -2.9054 -1.0512 -1.0512 -1.0186 -1.0186 6.2342 6.2342 6.3153 6.3153 6.5796 6.5796 6.8690 6.8690 k =-0.0230 0.0357 0.9925 ( 12257 PWs) bands (ev): -98.4066 -98.4066 -98.4058 -98.4058 -13.4522 -13.4522 -13.3975 -13.3975 -13.2596 -13.2596 -13.2481 -13.2481 -7.0780 -7.0780 -7.0578 -7.0578 -6.7003 -6.7003 -6.6570 -6.6570 -5.3153 -5.3153 -5.2729 -5.2729 -4.8583 -4.8583 -4.8429 -4.8429 -2.9688 -2.9688 -2.9164 -2.9164 -1.0446 -1.0446 -1.0232 -1.0232 6.2437 6.2437 6.2989 6.2989 6.6239 6.6239 6.8190 6.8190 k =-0.0115 0.0179 0.9925 ( 12255 PWs) bands (ev): -98.4064 -98.4064 -98.4060 -98.4060 -13.4384 -13.4384 -13.4111 -13.4111 -13.2565 -13.2565 -13.2507 -13.2507 -7.0747 -7.0747 -7.0646 -7.0646 -6.6901 -6.6901 -6.6684 -6.6684 -5.3050 -5.3050 -5.2838 -5.2838 -4.8534 -4.8534 -4.8457 -4.8457 -2.9544 -2.9544 -2.9282 -2.9282 -1.0387 -1.0387 -1.0280 -1.0280 6.2552 6.2552 6.2831 6.2831 6.6705 6.6705 6.7686 6.7686 k = 0.0000 0.0000 0.9925 ( 12250 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2535 -13.2535 -13.2535 -13.2535 -7.0703 -7.0703 -7.0703 -7.0703 -6.6795 -6.6795 -6.6795 -6.6795 -5.2945 -5.2945 -5.2945 -5.2945 -4.8491 -4.8491 -4.8491 -4.8491 -2.9408 -2.9408 -2.9408 -2.9408 -1.0332 -1.0332 -1.0332 -1.0332 6.2684 6.2684 6.2684 6.2684 6.7189 6.7189 6.7189 6.7189 k = 0.0000 0.0000 0.9925 ( 12250 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2535 -13.2535 -13.2535 -13.2535 -7.0703 -7.0703 -7.0703 -7.0703 -6.6795 -6.6795 -6.6795 -6.6795 -5.2945 -5.2945 -5.2945 -5.2945 -4.8491 -4.8491 -4.8491 -4.8491 -2.9408 -2.9408 -2.9408 -2.9408 -1.0332 -1.0332 -1.0332 -1.0332 6.2684 6.2684 6.2684 6.2684 6.7189 6.7189 6.7189 6.7189 k = 0.0179 0.0115 0.9925 ( 12254 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2535 -13.2535 -13.2535 -13.2535 -7.0701 -7.0701 -7.0701 -7.0701 -6.6796 -6.6796 -6.6796 -6.6796 -5.2943 -5.2943 -5.2943 -5.2943 -4.8492 -4.8492 -4.8492 -4.8492 -2.9408 -2.9408 -2.9408 -2.9408 -1.0332 -1.0332 -1.0332 -1.0332 6.2677 6.2677 6.2677 6.2677 6.7211 6.7211 6.7212 6.7212 k = 0.0357 0.0230 0.9925 ( 12248 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2535 -13.2535 -13.2535 -13.2535 -7.0698 -7.0698 -7.0698 -7.0698 -6.6802 -6.6802 -6.6802 -6.6802 -5.2938 -5.2938 -5.2938 -5.2938 -4.8495 -4.8495 -4.8495 -4.8495 -2.9408 -2.9408 -2.9408 -2.9408 -1.0332 -1.0332 -1.0332 -1.0332 6.2655 6.2655 6.2656 6.2656 6.7278 6.7278 6.7279 6.7279 k = 0.0536 0.0345 0.9925 ( 12254 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2535 -13.2535 -13.2535 -13.2535 -7.0693 -7.0693 -7.0693 -7.0693 -6.6810 -6.6810 -6.6810 -6.6810 -5.2930 -5.2930 -5.2929 -5.2929 -4.8500 -4.8500 -4.8500 -4.8500 -2.9408 -2.9408 -2.9408 -2.9408 -1.0333 -1.0333 -1.0333 -1.0333 6.2622 6.2622 6.2622 6.2622 6.7387 6.7387 6.7388 6.7388 k = 0.0714 0.0460 0.9925 ( 12248 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2535 -13.2535 -13.2535 -13.2535 -7.0686 -7.0686 -7.0686 -7.0686 -6.6821 -6.6821 -6.6821 -6.6821 -5.2919 -5.2919 -5.2918 -5.2918 -4.8507 -4.8507 -4.8507 -4.8507 -2.9408 -2.9408 -2.9408 -2.9408 -1.0335 -1.0335 -1.0335 -1.0335 6.2578 6.2578 6.2579 6.2579 6.7535 6.7535 6.7535 6.7535 k = 0.0893 0.0575 0.9925 ( 12248 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2535 -13.2535 -13.2535 -13.2535 -7.0677 -7.0677 -7.0677 -7.0677 -6.6835 -6.6835 -6.6835 -6.6835 -5.2905 -5.2905 -5.2905 -5.2905 -4.8514 -4.8514 -4.8514 -4.8514 -2.9407 -2.9407 -2.9407 -2.9407 -1.0336 -1.0336 -1.0336 -1.0336 6.2529 6.2529 6.2529 6.2529 6.7716 6.7716 6.7717 6.7717 k = 0.1071 0.0689 0.9925 ( 12258 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0668 -7.0668 -7.0668 -7.0668 -6.6850 -6.6850 -6.6850 -6.6850 -5.2891 -5.2891 -5.2891 -5.2891 -4.8523 -4.8523 -4.8523 -4.8523 -2.9407 -2.9407 -2.9407 -2.9407 -1.0338 -1.0338 -1.0338 -1.0338 6.2476 6.2476 6.2477 6.2477 6.7926 6.7926 6.7927 6.7927 k = 0.1250 0.0804 0.9925 ( 12258 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0658 -7.0658 -7.0658 -7.0658 -6.6866 -6.6866 -6.6866 -6.6866 -5.2875 -5.2875 -5.2875 -5.2875 -4.8532 -4.8532 -4.8532 -4.8532 -2.9407 -2.9407 -2.9407 -2.9407 -1.0340 -1.0340 -1.0340 -1.0340 6.2423 6.2423 6.2423 6.2423 6.8159 6.8159 6.8160 6.8160 k = 0.1429 0.0919 0.9925 ( 12262 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0648 -7.0648 -7.0648 -7.0648 -6.6882 -6.6882 -6.6882 -6.6882 -5.2859 -5.2859 -5.2859 -5.2859 -4.8542 -4.8542 -4.8541 -4.8541 -2.9406 -2.9406 -2.9406 -2.9406 -1.0342 -1.0342 -1.0342 -1.0342 6.2372 6.2372 6.2373 6.2373 6.8409 6.8409 6.8410 6.8410 k = 0.1607 0.1034 0.9925 ( 12264 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0638 -7.0638 -7.0638 -7.0638 -6.6898 -6.6898 -6.6898 -6.6898 -5.2844 -5.2844 -5.2844 -5.2844 -4.8550 -4.8550 -4.8550 -4.8550 -2.9406 -2.9406 -2.9406 -2.9406 -1.0343 -1.0343 -1.0343 -1.0343 6.2326 6.2326 6.2326 6.2326 6.8669 6.8669 6.8670 6.8670 k = 0.1786 0.1149 0.9925 ( 12254 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0629 -7.0629 -7.0629 -7.0629 -6.6912 -6.6912 -6.6912 -6.6912 -5.2831 -5.2831 -5.2831 -5.2831 -4.8558 -4.8558 -4.8558 -4.8558 -2.9405 -2.9405 -2.9405 -2.9405 -1.0345 -1.0345 -1.0345 -1.0345 6.2286 6.2286 6.2286 6.2286 6.8928 6.8928 6.8930 6.8930 k = 0.1964 0.1264 0.9925 ( 12260 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0622 -7.0622 -7.0622 -7.0622 -6.6923 -6.6923 -6.6923 -6.6923 -5.2820 -5.2820 -5.2820 -5.2820 -4.8565 -4.8565 -4.8565 -4.8565 -2.9405 -2.9405 -2.9405 -2.9405 -1.0346 -1.0346 -1.0346 -1.0346 6.2254 6.2254 6.2254 6.2254 6.9175 6.9175 6.9176 6.9176 k = 0.2143 0.1379 0.9925 ( 12262 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0616 -7.0616 -7.0616 -7.0616 -6.6932 -6.6932 -6.6932 -6.6932 -5.2811 -5.2811 -5.2811 -5.2811 -4.8570 -4.8570 -4.8570 -4.8570 -2.9405 -2.9405 -2.9405 -2.9405 -1.0347 -1.0347 -1.0347 -1.0347 6.2230 6.2230 6.2230 6.2230 6.9388 6.9388 6.9389 6.9389 k = 0.2321 0.1494 0.9925 ( 12260 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0613 -7.0613 -7.0613 -7.0613 -6.6937 -6.6937 -6.6937 -6.6937 -5.2806 -5.2806 -5.2806 -5.2806 -4.8573 -4.8573 -4.8573 -4.8573 -2.9405 -2.9405 -2.9405 -2.9405 -1.0348 -1.0348 -1.0348 -1.0348 6.2215 6.2215 6.2215 6.2215 6.9540 6.9540 6.9540 6.9540 k = 0.2500 0.1609 0.9925 ( 12256 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0612 -7.0612 -7.0612 -7.0612 -6.6939 -6.6939 -6.6939 -6.6939 -5.2804 -5.2804 -5.2804 -5.2804 -4.8574 -4.8574 -4.8574 -4.8574 -2.9405 -2.9405 -2.9405 -2.9405 -1.0348 -1.0348 -1.0348 -1.0348 6.2210 6.2210 6.2210 6.2210 6.9595 6.9595 6.9596 6.9596 k = 0.2500 0.1609 0.9925 ( 12256 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0612 -7.0612 -7.0612 -7.0612 -6.6939 -6.6939 -6.6939 -6.6939 -5.2804 -5.2804 -5.2804 -5.2804 -4.8574 -4.8574 -4.8574 -4.8574 -2.9405 -2.9405 -2.9405 -2.9405 -1.0348 -1.0348 -1.0348 -1.0348 6.2210 6.2210 6.2210 6.2210 6.9595 6.9596 6.9596 6.9596 k = 0.2404 0.1758 0.9804 ( 12258 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4248 -13.4248 -13.4248 -13.4248 -13.2535 -13.2535 -13.2535 -13.2535 -7.0609 -7.0609 -7.0609 -7.0609 -6.6939 -6.6939 -6.6939 -6.6939 -5.2805 -5.2805 -5.2805 -5.2805 -4.8576 -4.8576 -4.8576 -4.8576 -2.9409 -2.9409 -2.9409 -2.9409 -1.0349 -1.0349 -1.0348 -1.0348 6.2204 6.2204 6.2205 6.2205 6.9603 6.9603 6.9604 6.9604 k = 0.2308 0.1908 0.9683 ( 12256 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4251 -13.4251 -13.4251 -13.4251 -13.2532 -13.2532 -13.2532 -13.2532 -7.0601 -7.0601 -7.0601 -7.0601 -6.6937 -6.6937 -6.6936 -6.6936 -5.2807 -5.2807 -5.2807 -5.2807 -4.8580 -4.8580 -4.8580 -4.8580 -2.9424 -2.9424 -2.9423 -2.9423 -1.0350 -1.0350 -1.0349 -1.0349 6.2187 6.2187 6.2187 6.2187 6.9626 6.9626 6.9627 6.9627 k = 0.2212 0.2057 0.9562 ( 12256 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4256 -13.4256 -13.4256 -13.4256 -13.2528 -13.2528 -13.2528 -13.2528 -7.0587 -7.0587 -7.0587 -7.0587 -6.6933 -6.6933 -6.6933 -6.6933 -5.2810 -5.2810 -5.2810 -5.2810 -4.8587 -4.8587 -4.8587 -4.8587 -2.9447 -2.9447 -2.9446 -2.9446 -1.0352 -1.0352 -1.0351 -1.0351 6.2159 6.2159 6.2159 6.2159 6.9662 6.9662 6.9663 6.9663 k = 0.2115 0.2206 0.9441 ( 12258 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4263 -13.4263 -13.4263 -13.4263 -13.2522 -13.2522 -13.2522 -13.2522 -7.0568 -7.0568 -7.0568 -7.0568 -6.6928 -6.6928 -6.6928 -6.6928 -5.2815 -5.2815 -5.2814 -5.2814 -4.8597 -4.8597 -4.8597 -4.8597 -2.9479 -2.9479 -2.9478 -2.9478 -1.0355 -1.0355 -1.0354 -1.0354 6.2121 6.2121 6.2122 6.2122 6.9711 6.9711 6.9712 6.9712 k = 0.2019 0.2356 0.9320 ( 12262 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4272 -13.4272 -13.4272 -13.4272 -13.2514 -13.2514 -13.2514 -13.2514 -7.0544 -7.0544 -7.0544 -7.0544 -6.6922 -6.6922 -6.6922 -6.6922 -5.2821 -5.2821 -5.2820 -5.2820 -4.8610 -4.8610 -4.8609 -4.8609 -2.9519 -2.9519 -2.9518 -2.9518 -1.0359 -1.0359 -1.0358 -1.0358 6.2076 6.2076 6.2077 6.2077 6.9768 6.9768 6.9770 6.9770 k = 0.1923 0.2505 0.9198 ( 12264 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4283 -13.4283 -13.4283 -13.4283 -13.2505 -13.2505 -13.2505 -13.2505 -7.0515 -7.0515 -7.0515 -7.0515 -6.6915 -6.6915 -6.6915 -6.6915 -5.2827 -5.2827 -5.2826 -5.2826 -4.8624 -4.8624 -4.8624 -4.8624 -2.9567 -2.9567 -2.9566 -2.9566 -1.0363 -1.0363 -1.0362 -1.0362 6.2025 6.2025 6.2026 6.2026 6.9834 6.9834 6.9836 6.9836 k = 0.1827 0.2655 0.9077 ( 12278 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4295 -13.4295 -13.4295 -13.4295 -13.2494 -13.2494 -13.2494 -13.2494 -7.0482 -7.0482 -7.0482 -7.0482 -6.6908 -6.6908 -6.6907 -6.6907 -5.2835 -5.2835 -5.2834 -5.2834 -4.8641 -4.8641 -4.8641 -4.8641 -2.9621 -2.9621 -2.9620 -2.9620 -1.0368 -1.0368 -1.0367 -1.0367 6.1969 6.1969 6.1971 6.1971 6.9904 6.9904 6.9907 6.9907 k = 0.1731 0.2804 0.8956 ( 12282 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4308 -13.4308 -13.4308 -13.4308 -13.2483 -13.2483 -13.2483 -13.2483 -7.0445 -7.0445 -7.0444 -7.0444 -6.6899 -6.6899 -6.6899 -6.6899 -5.2844 -5.2844 -5.2843 -5.2843 -4.8661 -4.8661 -4.8660 -4.8660 -2.9682 -2.9682 -2.9681 -2.9681 -1.0374 -1.0374 -1.0373 -1.0373 6.1911 6.1911 6.1913 6.1913 6.9979 6.9979 6.9982 6.9982 k = 0.1635 0.2954 0.8835 ( 12282 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4322 -13.4322 -13.4322 -13.4322 -13.2471 -13.2471 -13.2471 -13.2471 -7.0404 -7.0404 -7.0403 -7.0403 -6.6890 -6.6890 -6.6890 -6.6890 -5.2853 -5.2853 -5.2852 -5.2852 -4.8682 -4.8682 -4.8681 -4.8681 -2.9747 -2.9747 -2.9746 -2.9746 -1.0381 -1.0381 -1.0379 -1.0379 6.1853 6.1853 6.1855 6.1855 7.0056 7.0056 7.0059 7.0059 k = 0.1538 0.3103 0.8714 ( 12284 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4337 -13.4337 -13.4337 -13.4337 -13.2458 -13.2458 -13.2458 -13.2458 -7.0360 -7.0360 -7.0359 -7.0359 -6.6881 -6.6881 -6.6880 -6.6880 -5.2863 -5.2863 -5.2862 -5.2862 -4.8704 -4.8704 -4.8703 -4.8703 -2.9817 -2.9817 -2.9816 -2.9816 -1.0388 -1.0388 -1.0386 -1.0386 6.1795 6.1795 6.1797 6.1797 7.0134 7.0134 7.0137 7.0137 k = 0.1442 0.3252 0.8593 ( 12278 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4352 -13.4352 -13.4352 -13.4352 -13.2445 -13.2445 -13.2445 -13.2445 -7.0313 -7.0313 -7.0313 -7.0313 -6.6871 -6.6871 -6.6871 -6.6871 -5.2873 -5.2873 -5.2872 -5.2872 -4.8728 -4.8728 -4.8727 -4.8727 -2.9890 -2.9890 -2.9888 -2.9888 -1.0396 -1.0396 -1.0394 -1.0394 6.1739 6.1739 6.1741 6.1741 7.0213 7.0213 7.0216 7.0216 k = 0.1346 0.3402 0.8471 ( 12278 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4367 -13.4367 -13.4367 -13.4367 -13.2432 -13.2432 -13.2432 -13.2432 -7.0265 -7.0265 -7.0264 -7.0264 -6.6862 -6.6862 -6.6862 -6.6862 -5.2884 -5.2884 -5.2882 -5.2882 -4.8752 -4.8752 -4.8751 -4.8751 -2.9964 -2.9964 -2.9963 -2.9963 -1.0404 -1.0404 -1.0402 -1.0402 6.1685 6.1685 6.1687 6.1687 7.0291 7.0291 7.0294 7.0294 k = 0.1250 0.3551 0.8350 ( 12278 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4383 -13.4383 -13.4383 -13.4383 -13.2419 -13.2419 -13.2419 -13.2419 -7.0215 -7.0215 -7.0215 -7.0215 -6.6853 -6.6853 -6.6853 -6.6853 -5.2894 -5.2894 -5.2893 -5.2893 -4.8777 -4.8777 -4.8776 -4.8776 -3.0040 -3.0040 -3.0038 -3.0038 -1.0412 -1.0412 -1.0410 -1.0410 6.1635 6.1635 6.1637 6.1637 7.0368 7.0368 7.0371 7.0371 k = 0.1154 0.3701 0.8229 ( 12272 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4398 -13.4398 -13.4398 -13.4398 -13.2406 -13.2406 -13.2406 -13.2406 -7.0165 -7.0165 -7.0164 -7.0164 -6.6845 -6.6845 -6.6844 -6.6844 -5.2905 -5.2905 -5.2904 -5.2904 -4.8803 -4.8803 -4.8801 -4.8801 -3.0115 -3.0115 -3.0113 -3.0113 -1.0421 -1.0421 -1.0419 -1.0419 6.1588 6.1588 6.1590 6.1590 7.0443 7.0443 7.0446 7.0446 k = 0.1058 0.3850 0.8108 ( 12272 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4413 -13.4413 -13.4413 -13.4413 -13.2393 -13.2393 -13.2393 -13.2393 -7.0115 -7.0115 -7.0114 -7.0114 -6.6837 -6.6837 -6.6836 -6.6836 -5.2915 -5.2915 -5.2914 -5.2914 -4.8828 -4.8828 -4.8826 -4.8826 -3.0188 -3.0188 -3.0187 -3.0187 -1.0429 -1.0429 -1.0428 -1.0428 6.1545 6.1545 6.1548 6.1548 7.0515 7.0515 7.0518 7.0518 k = 0.0962 0.4000 0.7987 ( 12266 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4427 -13.4427 -13.4427 -13.4427 -13.2381 -13.2381 -13.2381 -13.2381 -7.0065 -7.0065 -7.0065 -7.0065 -6.6829 -6.6829 -6.6829 -6.6829 -5.2925 -5.2925 -5.2924 -5.2924 -4.8852 -4.8852 -4.8851 -4.8851 -3.0260 -3.0260 -3.0258 -3.0258 -1.0438 -1.0438 -1.0437 -1.0437 6.1507 6.1507 6.1509 6.1509 7.0583 7.0583 7.0586 7.0586 k = 0.0865 0.4149 0.7866 ( 12262 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4440 -13.4440 -13.4440 -13.4440 -13.2369 -13.2369 -13.2369 -13.2369 -7.0018 -7.0018 -7.0017 -7.0017 -6.6823 -6.6823 -6.6822 -6.6822 -5.2935 -5.2935 -5.2934 -5.2934 -4.8876 -4.8876 -4.8875 -4.8875 -3.0328 -3.0328 -3.0326 -3.0326 -1.0446 -1.0446 -1.0445 -1.0445 6.1473 6.1473 6.1475 6.1475 7.0647 7.0647 7.0649 7.0649 k = 0.0769 0.4298 0.7744 ( 12262 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4453 -13.4453 -13.4453 -13.4453 -13.2359 -13.2359 -13.2359 -13.2359 -6.9972 -6.9972 -6.9972 -6.9972 -6.6817 -6.6817 -6.6817 -6.6817 -5.2944 -5.2944 -5.2943 -5.2943 -4.8898 -4.8898 -4.8897 -4.8897 -3.0391 -3.0391 -3.0390 -3.0390 -1.0454 -1.0454 -1.0453 -1.0453 6.1443 6.1443 6.1445 6.1445 7.0706 7.0706 7.0708 7.0708 k = 0.0673 0.4448 0.7623 ( 12268 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4464 -13.4464 -13.4464 -13.4464 -13.2349 -13.2349 -13.2349 -13.2349 -6.9930 -6.9930 -6.9930 -6.9930 -6.6812 -6.6812 -6.6812 -6.6812 -5.2952 -5.2952 -5.2951 -5.2951 -4.8919 -4.8919 -4.8918 -4.8918 -3.0449 -3.0449 -3.0448 -3.0448 -1.0462 -1.0462 -1.0461 -1.0461 6.1417 6.1417 6.1419 6.1419 7.0760 7.0760 7.0761 7.0761 k = 0.0577 0.4597 0.7502 ( 12278 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4474 -13.4474 -13.4474 -13.4474 -13.2341 -13.2341 -13.2341 -13.2341 -6.9892 -6.9892 -6.9892 -6.9892 -6.6808 -6.6808 -6.6808 -6.6808 -5.2959 -5.2959 -5.2958 -5.2958 -4.8937 -4.8937 -4.8936 -4.8936 -3.0501 -3.0501 -3.0500 -3.0500 -1.0469 -1.0469 -1.0468 -1.0468 6.1396 6.1396 6.1397 6.1397 7.0807 7.0807 7.0809 7.0809 k = 0.0481 0.4747 0.7381 ( 12274 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4483 -13.4483 -13.4483 -13.4483 -13.2333 -13.2333 -13.2333 -13.2333 -6.9858 -6.9858 -6.9858 -6.9858 -6.6805 -6.6805 -6.6805 -6.6805 -5.2966 -5.2966 -5.2965 -5.2965 -4.8953 -4.8953 -4.8953 -4.8953 -3.0547 -3.0547 -3.0546 -3.0546 -1.0475 -1.0475 -1.0474 -1.0474 6.1377 6.1377 6.1379 6.1379 7.0848 7.0848 7.0849 7.0849 k = 0.0385 0.4896 0.7260 ( 12272 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4490 -13.4490 -13.4490 -13.4490 -13.2327 -13.2327 -13.2327 -13.2327 -6.9830 -6.9830 -6.9830 -6.9830 -6.6802 -6.6802 -6.6802 -6.6802 -5.2971 -5.2971 -5.2970 -5.2970 -4.8967 -4.8967 -4.8967 -4.8967 -3.0585 -3.0585 -3.0584 -3.0584 -1.0480 -1.0480 -1.0479 -1.0479 6.1363 6.1363 6.1364 6.1364 7.0882 7.0882 7.0883 7.0883 k = 0.0288 0.5045 0.7139 ( 12266 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4496 -13.4496 -13.4496 -13.4496 -13.2323 -13.2323 -13.2323 -13.2323 -6.9807 -6.9807 -6.9807 -6.9807 -6.6800 -6.6800 -6.6800 -6.6800 -5.2975 -5.2975 -5.2975 -5.2975 -4.8978 -4.8978 -4.8978 -4.8978 -3.0615 -3.0615 -3.0614 -3.0614 -1.0484 -1.0484 -1.0483 -1.0483 6.1352 6.1352 6.1353 6.1353 7.0908 7.0908 7.0909 7.0909 k = 0.0192 0.5195 0.7017 ( 12262 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4500 -13.4500 -13.4500 -13.4500 -13.2319 -13.2319 -13.2319 -13.2319 -6.9791 -6.9791 -6.9791 -6.9791 -6.6799 -6.6799 -6.6799 -6.6799 -5.2978 -5.2978 -5.2978 -5.2978 -4.8986 -4.8986 -4.8986 -4.8986 -3.0636 -3.0636 -3.0636 -3.0636 -1.0487 -1.0487 -1.0486 -1.0486 6.1344 6.1344 6.1345 6.1345 7.0928 7.0928 7.0928 7.0928 k = 0.0096 0.5344 0.6896 ( 12258 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4503 -13.4503 -13.4503 -13.4503 -13.2317 -13.2317 -13.2317 -13.2317 -6.9781 -6.9781 -6.9780 -6.9780 -6.6798 -6.6798 -6.6798 -6.6798 -5.2980 -5.2980 -5.2980 -5.2980 -4.8991 -4.8991 -4.8991 -4.8991 -3.0649 -3.0649 -3.0649 -3.0649 -1.0488 -1.0488 -1.0488 -1.0488 6.1340 6.1340 6.1340 6.1340 7.0939 7.0939 7.0940 7.0940 k = 0.0000 0.5494 0.6775 ( 12258 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4504 -13.4504 -13.4504 -13.4504 -13.2316 -13.2316 -13.2316 -13.2316 -6.9777 -6.9777 -6.9777 -6.9777 -6.6798 -6.6798 -6.6798 -6.6798 -5.2980 -5.2980 -5.2980 -5.2980 -4.8992 -4.8992 -4.8992 -4.8992 -3.0654 -3.0654 -3.0654 -3.0654 -1.0489 -1.0489 -1.0489 -1.0489 6.1338 6.1338 6.1338 6.1338 7.0943 7.0943 7.0943 7.0943 k = 0.0000 0.5494 0.6775 ( 12258 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4504 -13.4504 -13.4504 -13.4504 -13.2316 -13.2316 -13.2316 -13.2316 -6.9777 -6.9777 -6.9777 -6.9777 -6.6798 -6.6798 -6.6798 -6.6798 -5.2980 -5.2980 -5.2980 -5.2980 -4.8992 -4.8992 -4.8992 -4.8992 -3.0654 -3.0654 -3.0654 -3.0654 -1.0489 -1.0489 -1.0489 -1.0489 6.1338 6.1338 6.1338 6.1338 7.0943 7.0943 7.0943 7.0943 k = 0.0189 0.5567 0.6716 ( 12258 PWs) bands (ev): -98.4063 -98.4063 -98.4061 -98.4061 -13.4580 -13.4580 -13.4426 -13.4426 -13.2318 -13.2318 -13.2317 -13.2317 -6.9852 -6.9852 -6.9698 -6.9698 -6.6820 -6.6820 -6.6775 -6.6775 -5.3004 -5.3004 -5.2956 -5.2956 -4.9059 -4.9059 -4.8928 -4.8928 -3.0723 -3.0723 -3.0583 -3.0583 -1.0534 -1.0534 -1.0447 -1.0447 6.1241 6.1241 6.1453 6.1453 7.0922 7.0922 7.0961 7.0961 k = 0.0377 0.5640 0.6656 ( 12261 PWs) bands (ev): -98.4064 -98.4064 -98.4059 -98.4059 -13.4656 -13.4656 -13.4347 -13.4347 -13.2321 -13.2321 -13.2320 -13.2320 -6.9923 -6.9923 -6.9616 -6.9616 -6.6842 -6.6842 -6.6750 -6.6750 -5.3028 -5.3028 -5.2930 -5.2930 -4.9128 -4.9128 -4.8867 -4.8867 -3.0793 -3.0793 -3.0512 -3.0512 -1.0581 -1.0581 -1.0408 -1.0408 6.1161 6.1161 6.1585 6.1585 7.0897 7.0897 7.0973 7.0973 k = 0.0566 0.5713 0.6597 ( 12263 PWs) bands (ev): -98.4065 -98.4065 -98.4058 -98.4058 -13.4730 -13.4730 -13.4266 -13.4266 -13.2327 -13.2327 -13.2325 -13.2325 -6.9989 -6.9989 -6.9532 -6.9532 -6.6865 -6.6865 -6.6722 -6.6722 -5.3052 -5.3052 -5.2902 -5.2902 -4.9197 -4.9197 -4.8810 -4.8810 -3.0862 -3.0862 -3.0438 -3.0438 -1.0633 -1.0633 -1.0371 -1.0371 6.1098 6.1098 6.1737 6.1737 7.0870 7.0870 7.0976 7.0976 k = 0.0754 0.5787 0.6538 ( 12261 PWs) bands (ev): -98.4067 -98.4067 -98.4057 -98.4057 -13.4804 -13.4804 -13.4183 -13.4183 -13.2334 -13.2334 -13.2332 -13.2332 -7.0048 -7.0048 -6.9446 -6.9446 -6.6888 -6.6888 -6.6692 -6.6692 -5.3077 -5.3077 -5.2870 -5.2870 -4.9268 -4.9268 -4.8758 -4.8758 -3.0932 -3.0932 -3.0363 -3.0363 -1.0688 -1.0688 -1.0336 -1.0336 6.1050 6.1050 6.1906 6.1906 7.0842 7.0842 7.0968 7.0968 k = 0.0943 0.5860 0.6478 ( 12274 PWs) bands (ev): -98.4068 -98.4068 -98.4056 -98.4056 -13.4878 -13.4878 -13.4099 -13.4099 -13.2343 -13.2343 -13.2341 -13.2341 -7.0102 -7.0102 -6.9360 -6.9360 -6.6912 -6.6912 -6.6658 -6.6658 -5.3104 -5.3104 -5.2835 -5.2835 -4.9337 -4.9337 -4.8710 -4.8710 -3.1002 -3.1002 -3.0286 -3.0286 -1.0746 -1.0746 -1.0301 -1.0301 6.1016 6.1016 6.2094 6.2094 7.0814 7.0814 7.0945 7.0945 k = 0.1131 0.5933 0.6419 ( 12282 PWs) bands (ev): -98.4069 -98.4069 -98.4055 -98.4055 -13.4951 -13.4951 -13.4014 -13.4014 -13.2353 -13.2353 -13.2353 -13.2353 -7.0148 -7.0148 -6.9275 -6.9275 -6.6939 -6.6939 -6.6621 -6.6621 -5.3134 -5.3134 -5.2796 -5.2796 -4.9406 -4.9406 -4.8668 -4.8668 -3.1075 -3.1075 -3.0207 -3.0207 -1.0809 -1.0809 -1.0267 -1.0267 6.0996 6.0996 6.2300 6.2300 7.0786 7.0786 7.0895 7.0895 k = 0.1320 0.6006 0.6360 ( 12281 PWs) bands (ev): -98.4070 -98.4070 -98.4053 -98.4053 -13.5025 -13.5025 -13.3927 -13.3927 -13.2367 -13.2367 -13.2363 -13.2363 -7.0188 -7.0188 -6.9190 -6.9190 -6.6968 -6.6968 -6.6578 -6.6578 -5.3166 -5.3166 -5.2752 -5.2752 -4.9473 -4.9473 -4.8632 -4.8632 -3.1149 -3.1149 -3.0126 -3.0126 -1.0875 -1.0875 -1.0233 -1.0233 6.0990 6.0990 6.2521 6.2521 7.0760 7.0760 7.0800 7.0800 k = 0.1509 0.6079 0.6300 ( 12291 PWs) bands (ev): -98.4071 -98.4071 -98.4052 -98.4052 -13.5099 -13.5099 -13.3838 -13.3838 -13.2383 -13.2383 -13.2375 -13.2375 -7.0219 -7.0219 -6.9108 -6.9108 -6.7000 -6.7000 -6.6531 -6.6531 -5.3201 -5.3201 -5.2702 -5.2702 -4.9538 -4.9538 -4.8602 -4.8602 -3.1226 -3.1226 -3.0043 -3.0043 -1.0944 -1.0944 -1.0198 -1.0198 6.0996 6.0996 6.2756 6.2756 7.0620 7.0620 7.0735 7.0735 k = 0.1697 0.6153 0.6241 ( 12293 PWs) bands (ev): -98.4073 -98.4073 -98.4051 -98.4051 -13.5174 -13.5174 -13.3747 -13.3747 -13.2400 -13.2400 -13.2386 -13.2386 -7.0243 -7.0243 -6.9028 -6.9028 -6.7036 -6.7036 -6.6478 -6.6478 -5.3241 -5.3241 -5.2647 -5.2647 -4.9599 -4.9599 -4.8579 -4.8579 -3.1306 -3.1306 -2.9957 -2.9957 -1.1016 -1.1016 -1.0162 -1.0162 6.1014 6.1014 6.3001 6.3001 7.0300 7.0300 7.0713 7.0713 k = 0.1886 0.6226 0.6181 ( 12296 PWs) bands (ev): -98.4074 -98.4074 -98.4050 -98.4050 -13.5250 -13.5250 -13.3656 -13.3656 -13.2419 -13.2419 -13.2397 -13.2397 -7.0259 -7.0259 -6.8951 -6.8951 -6.7075 -6.7075 -6.6419 -6.6419 -5.3284 -5.3284 -5.2585 -5.2585 -4.9656 -4.9656 -4.8562 -4.8562 -3.1390 -3.1390 -2.9869 -2.9869 -1.1092 -1.1092 -1.0124 -1.0124 6.1043 6.1043 6.3248 6.3248 6.9846 6.9846 7.0692 7.0692 k = 0.2074 0.6299 0.6122 ( 12284 PWs) bands (ev): -98.4075 -98.4075 -98.4049 -98.4049 -13.5328 -13.5328 -13.3563 -13.3563 -13.2440 -13.2440 -13.2407 -13.2407 -7.0267 -7.0267 -6.8879 -6.8879 -6.7119 -6.7119 -6.6354 -6.6354 -5.3332 -5.3332 -5.2518 -5.2518 -4.9709 -4.9709 -4.8553 -4.8553 -3.1478 -3.1478 -2.9780 -2.9780 -1.1169 -1.1169 -1.0084 -1.0084 6.1084 6.1084 6.3489 6.3489 6.9333 6.9333 7.0675 7.0675 k = 0.2263 0.6372 0.6063 ( 12280 PWs) bands (ev): -98.4076 -98.4076 -98.4048 -98.4048 -13.5407 -13.5407 -13.3468 -13.3468 -13.2462 -13.2462 -13.2417 -13.2417 -7.0266 -7.0266 -6.8811 -6.8811 -6.7166 -6.7166 -6.6283 -6.6283 -5.3384 -5.3384 -5.2443 -5.2443 -4.9756 -4.9756 -4.8551 -4.8551 -3.1570 -3.1570 -2.9688 -2.9688 -1.1248 -1.1248 -1.0041 -1.0041 6.1135 6.1135 6.3705 6.3705 6.8828 6.8828 7.0660 7.0660 k = 0.2451 0.6445 0.6003 ( 12281 PWs) bands (ev): -98.4077 -98.4077 -98.4046 -98.4046 -13.5489 -13.5489 -13.3373 -13.3373 -13.2485 -13.2485 -13.2424 -13.2424 -7.0258 -7.0258 -6.8748 -6.8748 -6.7218 -6.7218 -6.6204 -6.6204 -5.3441 -5.3441 -5.2363 -5.2363 -4.9798 -4.9798 -4.8557 -4.8557 -3.1668 -3.1668 -2.9595 -2.9595 -1.1328 -1.1328 -0.9995 -0.9995 6.1196 6.1196 6.3871 6.3871 6.8380 6.8380 7.0648 7.0648 k = 0.2640 0.6519 0.5944 ( 12291 PWs) bands (ev): -98.4079 -98.4079 -98.4045 -98.4045 -13.5574 -13.5574 -13.3277 -13.3277 -13.2509 -13.2509 -13.2430 -13.2430 -7.0241 -7.0241 -6.8690 -6.8690 -6.7274 -6.7274 -6.6119 -6.6119 -5.3503 -5.3503 -5.2277 -5.2277 -4.9833 -4.9833 -4.8570 -4.8570 -3.1771 -3.1771 -2.9501 -2.9501 -1.1408 -1.1408 -0.9944 -0.9944 6.1269 6.1269 6.3949 6.3949 6.8039 6.8039 7.0639 7.0639 k = 0.2829 0.6592 0.5885 ( 12285 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5661 -13.5661 -13.3181 -13.3181 -13.2534 -13.2534 -13.2434 -13.2434 -7.0216 -7.0216 -6.8638 -6.8638 -6.7333 -6.7333 -6.6027 -6.6027 -5.3570 -5.3570 -5.2185 -5.2185 -4.9861 -4.9861 -4.8590 -4.8590 -3.1880 -3.1880 -2.9405 -2.9405 -1.1489 -1.1489 -0.9890 -0.9890 6.1351 6.1351 6.3899 6.3899 6.7846 6.7846 7.0634 7.0634 k = 0.2829 0.6592 0.5885 ( 12285 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5661 -13.5661 -13.3181 -13.3181 -13.2534 -13.2534 -13.2434 -13.2434 -7.0216 -7.0216 -6.8638 -6.8638 -6.7333 -6.7333 -6.6027 -6.6027 -5.3570 -5.3570 -5.2185 -5.2185 -4.9861 -4.9861 -4.8590 -4.8590 -3.1880 -3.1880 -2.9405 -2.9405 -1.1489 -1.1489 -0.9890 -0.9890 6.1351 6.1351 6.3899 6.3899 6.7846 6.7846 7.0634 7.0634 k = 0.2894 0.6490 0.5706 ( 12281 PWs) bands (ev): -98.4083 -98.4083 -98.4040 -98.4040 -13.5925 -13.5925 -13.2891 -13.2891 -13.2611 -13.2611 -13.2445 -13.2445 -7.0121 -7.0121 -6.8482 -6.8482 -6.7511 -6.7511 -6.5736 -6.5736 -5.3775 -5.3775 -5.1902 -5.1902 -4.9941 -4.9941 -4.8667 -4.8667 -3.2218 -3.2218 -2.9122 -2.9122 -1.1730 -1.1730 -0.9720 -0.9720 6.1597 6.1597 6.3511 6.3511 6.7512 6.7512 7.0422 7.0422 k = 0.2960 0.6387 0.5528 ( 12281 PWs) bands (ev): -98.4087 -98.4087 -98.4037 -98.4037 -13.6188 -13.6188 -13.2691 -13.2691 -13.2605 -13.2605 -13.2460 -13.2460 -7.0004 -7.0004 -6.8306 -6.8306 -6.7675 -6.7675 -6.5436 -6.5436 -5.3972 -5.3972 -5.1619 -5.1619 -5.0032 -5.0032 -4.8755 -4.8755 -3.2562 -3.2562 -2.8852 -2.8852 -1.1969 -1.1969 -0.9549 -0.9549 6.1807 6.1807 6.3089 6.3089 6.7154 6.7154 7.0138 7.0138 k = 0.3026 0.6285 0.5350 ( 12273 PWs) bands (ev): -98.4090 -98.4090 -98.4034 -98.4034 -13.6447 -13.6447 -13.2773 -13.2773 -13.2478 -13.2478 -13.2324 -13.2324 -6.9868 -6.9868 -6.8113 -6.8113 -6.7823 -6.7823 -6.5130 -6.5130 -5.4160 -5.4160 -5.1337 -5.1337 -5.0134 -5.0134 -4.8853 -4.8853 -3.2912 -3.2912 -2.8595 -2.8595 -1.2207 -1.2207 -0.9377 -0.9377 6.1981 6.1981 6.2630 6.2630 6.6776 6.6776 6.9907 6.9907 k = 0.3092 0.6183 0.5171 ( 12285 PWs) bands (ev): -98.4094 -98.4094 -98.4030 -98.4030 -13.6704 -13.6704 -13.2858 -13.2858 -13.2501 -13.2501 -13.2047 -13.2047 -6.9712 -6.9712 -6.7958 -6.7958 -6.7901 -6.7901 -6.4819 -6.4819 -5.4337 -5.4337 -5.1056 -5.1056 -5.0247 -5.0247 -4.8960 -4.8960 -3.3267 -3.3267 -2.8351 -2.8351 -1.2443 -1.2443 -0.9206 -0.9206 6.2121 6.2121 6.2133 6.2133 6.6380 6.6380 6.9730 6.9730 k = 0.3158 0.6081 0.4993 ( 12291 PWs) bands (ev): -98.4097 -98.4097 -98.4027 -98.4027 -13.6956 -13.6956 -13.2944 -13.2944 -13.2527 -13.2527 -13.1775 -13.1775 -6.9538 -6.9538 -6.8077 -6.8077 -6.7672 -6.7672 -6.4506 -6.4506 -5.4503 -5.4503 -5.0779 -5.0779 -5.0370 -5.0370 -4.9077 -4.9077 -3.3626 -3.3626 -2.8122 -2.8122 -1.2675 -1.2675 -0.9035 -0.9035 6.1600 6.1600 6.2231 6.2231 6.5968 6.5968 6.9607 6.9607 k = 0.3223 0.5978 0.4815 ( 12287 PWs) bands (ev): -98.4100 -98.4100 -98.4023 -98.4023 -13.7205 -13.7205 -13.3032 -13.3032 -13.2557 -13.2557 -13.1510 -13.1510 -6.9346 -6.9346 -6.8182 -6.8182 -6.7427 -6.7427 -6.4192 -6.4192 -5.4654 -5.4654 -5.0511 -5.0511 -5.0498 -5.0498 -4.9203 -4.9203 -3.3989 -3.3989 -2.7907 -2.7907 -1.2905 -1.2905 -0.8866 -0.8866 6.1033 6.1033 6.2312 6.2312 6.5544 6.5544 6.9535 6.9535 k = 0.3289 0.5876 0.4636 ( 12285 PWs) bands (ev): -98.4103 -98.4103 -98.4020 -98.4020 -13.7449 -13.7449 -13.3121 -13.3121 -13.2589 -13.2589 -13.1250 -13.1250 -6.9137 -6.9137 -6.8272 -6.8272 -6.7166 -6.7166 -6.3879 -6.3879 -5.4790 -5.4790 -5.0648 -5.0648 -5.0234 -5.0234 -4.9338 -4.9338 -3.4356 -3.4356 -2.7708 -2.7708 -1.3130 -1.3130 -0.8698 -0.8698 6.0438 6.0438 6.2368 6.2368 6.5110 6.5110 6.9511 6.9511 k = 0.3355 0.5774 0.4458 ( 12297 PWs) bands (ev): -98.4107 -98.4107 -98.4017 -98.4017 -13.7687 -13.7687 -13.3212 -13.3212 -13.2624 -13.2624 -13.0998 -13.0998 -6.8913 -6.8913 -6.8348 -6.8348 -6.6889 -6.6889 -6.3572 -6.3572 -5.4908 -5.4908 -5.0803 -5.0803 -4.9968 -4.9968 -4.9481 -4.9481 -3.4725 -3.4725 -2.7525 -2.7525 -1.3352 -1.3352 -0.8532 -0.8532 5.9819 5.9819 6.2403 6.2403 6.4668 6.4668 6.9531 6.9531 k = 0.3421 0.5672 0.4280 ( 12307 PWs) bands (ev): -98.4110 -98.4110 -98.4014 -98.4014 -13.7920 -13.7920 -13.3302 -13.3302 -13.2662 -13.2662 -13.0753 -13.0753 -6.8674 -6.8674 -6.8410 -6.8410 -6.6599 -6.6599 -6.3271 -6.3271 -5.5005 -5.5005 -5.0968 -5.0968 -4.9707 -4.9707 -4.9631 -4.9631 -3.5097 -3.5097 -2.7357 -2.7357 -1.3569 -1.3569 -0.8369 -0.8369 5.9182 5.9182 6.2422 6.2422 6.4221 6.4221 6.9462 6.9462 k = 0.3487 0.5569 0.4101 ( 12298 PWs) bands (ev): -98.4113 -98.4113 -98.4011 -98.4011 -13.8146 -13.8146 -13.3392 -13.3392 -13.2702 -13.2702 -13.0515 -13.0515 -6.8459 -6.8459 -6.8421 -6.8421 -6.6295 -6.6295 -6.2981 -6.2981 -5.5080 -5.5080 -5.1143 -5.1143 -4.9790 -4.9790 -4.9451 -4.9451 -3.5470 -3.5470 -2.7205 -2.7205 -1.3780 -1.3780 -0.8208 -0.8208 5.8532 5.8532 6.2428 6.2428 6.3771 6.3771 6.9193 6.9193 k = 0.3552 0.5467 0.3923 ( 12292 PWs) bands (ev): -98.4116 -98.4116 -98.4008 -98.4008 -13.8367 -13.8367 -13.3482 -13.3482 -13.2743 -13.2743 -13.0285 -13.0285 -6.8495 -6.8495 -6.8157 -6.8157 -6.5978 -6.5978 -6.2705 -6.2705 -5.5129 -5.5129 -5.1328 -5.1328 -4.9954 -4.9954 -4.9203 -4.9203 -3.5845 -3.5845 -2.7069 -2.7069 -1.3986 -1.3986 -0.8052 -0.8052 5.7874 5.7874 6.2425 6.2425 6.3321 6.3321 6.8895 6.8895 k = 0.3618 0.5365 0.3745 ( 12296 PWs) bands (ev): -98.4118 -98.4118 -98.4005 -98.4005 -13.8580 -13.8580 -13.3572 -13.3572 -13.2786 -13.2786 -13.0064 -13.0064 -6.8518 -6.8518 -6.7882 -6.7882 -6.5650 -6.5650 -6.2445 -6.2445 -5.5150 -5.5150 -5.1522 -5.1522 -5.0125 -5.0125 -4.8961 -4.8961 -3.6220 -3.6220 -2.6949 -2.6949 -1.4186 -1.4186 -0.7899 -0.7899 5.7214 5.7214 6.2417 6.2417 6.2874 6.2874 6.8568 6.8568 k = 0.3684 0.5263 0.3566 ( 12292 PWs) bands (ev): -98.4121 -98.4121 -98.4003 -98.4003 -13.8786 -13.8786 -13.3660 -13.3660 -13.2829 -13.2829 -12.9851 -12.9851 -6.8530 -6.8530 -6.7597 -6.7597 -6.5311 -6.5311 -6.2206 -6.2206 -5.5142 -5.5142 -5.1727 -5.1727 -5.0302 -5.0302 -4.8726 -4.8726 -3.6595 -3.6595 -2.6844 -2.6844 -1.4380 -1.4380 -0.7751 -0.7751 5.6555 5.6555 6.2408 6.2408 6.2431 6.2431 6.8215 6.8215 k = 0.3750 0.5160 0.3388 ( 12278 PWs) bands (ev): -98.4124 -98.4124 -98.4000 -98.4000 -13.8984 -13.8984 -13.3746 -13.3746 -13.2873 -13.2873 -12.9648 -12.9648 -6.8532 -6.8532 -6.7305 -6.7305 -6.4962 -6.4962 -6.1989 -6.1989 -5.5101 -5.5101 -5.1940 -5.1940 -5.0483 -5.0483 -4.8500 -4.8500 -3.6970 -3.6970 -2.6754 -2.6754 -1.4567 -1.4567 -0.7608 -0.7608 5.5902 5.5902 6.1994 6.1994 6.2402 6.2402 6.7840 6.7840 k = 0.3816 0.5058 0.3210 ( 12280 PWs) bands (ev): -98.4126 -98.4126 -98.3998 -98.3998 -13.9174 -13.9174 -13.3831 -13.3831 -13.2918 -13.2918 -12.9453 -12.9453 -6.8523 -6.8523 -6.7006 -6.7006 -6.4604 -6.4604 -6.1798 -6.1798 -5.5027 -5.5027 -5.2164 -5.2164 -5.0669 -5.0669 -4.8282 -4.8282 -3.7344 -3.7344 -2.6679 -2.6679 -1.4746 -1.4746 -0.7471 -0.7471 5.5260 5.5260 6.1566 6.1566 6.2401 6.2401 6.7446 6.7446 k = 0.3881 0.4956 0.3031 ( 12292 PWs) bands (ev): -98.4129 -98.4129 -98.3995 -98.3995 -13.9356 -13.9356 -13.3913 -13.3913 -13.2962 -13.2962 -12.9268 -12.9268 -6.8506 -6.8506 -6.6703 -6.6703 -6.4238 -6.4238 -6.1632 -6.1632 -5.4920 -5.4920 -5.2396 -5.2396 -5.0858 -5.0858 -4.8073 -4.8073 -3.7716 -3.7716 -2.6617 -2.6617 -1.4918 -1.4918 -0.7338 -0.7338 5.4632 5.4632 6.1148 6.1148 6.2406 6.2406 6.7038 6.7038 k = 0.3947 0.4854 0.2853 ( 12298 PWs) bands (ev): -98.4131 -98.4131 -98.3993 -98.3993 -13.9529 -13.9529 -13.3993 -13.3993 -13.3006 -13.3006 -12.9093 -12.9093 -6.8481 -6.8481 -6.6396 -6.6396 -6.3865 -6.3865 -6.1493 -6.1493 -5.4781 -5.4781 -5.2638 -5.2638 -5.1050 -5.1050 -4.7873 -4.7873 -3.8084 -3.8084 -2.6568 -2.6568 -1.5082 -1.5082 -0.7212 -0.7212 5.4021 5.4021 6.0744 6.0744 6.2421 6.2421 6.6623 6.6623 k = 0.4013 0.4751 0.2675 ( 12298 PWs) bands (ev): -98.4133 -98.4133 -98.3991 -98.3991 -13.9693 -13.9693 -13.4070 -13.4070 -13.3049 -13.3049 -12.8928 -12.8928 -6.8449 -6.8449 -6.6089 -6.6089 -6.3486 -6.3486 -6.1378 -6.1378 -5.4612 -5.4612 -5.2889 -5.2889 -5.1244 -5.1244 -4.7684 -4.7684 -3.8449 -3.8449 -2.6532 -2.6532 -1.5238 -1.5238 -0.7093 -0.7093 5.3430 5.3430 6.0354 6.0354 6.2446 6.2446 6.6204 6.6204 k = 0.4079 0.4649 0.2497 ( 12282 PWs) bands (ev): -98.4135 -98.4135 -98.3989 -98.3989 -13.9847 -13.9847 -13.4143 -13.4143 -13.3091 -13.3091 -12.8773 -12.8773 -6.8411 -6.8411 -6.5783 -6.5783 -6.3101 -6.3101 -6.1288 -6.1288 -5.4417 -5.4417 -5.3149 -5.3149 -5.1438 -5.1438 -4.7504 -4.7504 -3.8810 -3.8810 -2.6506 -2.6506 -1.5385 -1.5385 -0.6979 -0.6979 5.2863 5.2863 5.9980 5.9980 6.2482 6.2482 6.5787 6.5787 k = 0.4145 0.4547 0.2318 ( 12276 PWs) bands (ev): -98.4137 -98.4137 -98.3987 -98.3987 -13.9993 -13.9993 -13.4213 -13.4213 -13.3132 -13.3132 -12.8628 -12.8628 -6.8369 -6.8369 -6.5480 -6.5480 -6.2713 -6.2713 -6.1219 -6.1219 -5.4199 -5.4199 -5.3417 -5.3417 -5.1633 -5.1633 -4.7335 -4.7335 -3.9164 -3.9164 -2.6489 -2.6489 -1.5524 -1.5524 -0.6873 -0.6873 5.2323 5.2323 5.9625 5.9625 6.2529 6.2529 6.5377 6.5377 k = 0.4210 0.4445 0.2140 ( 12264 PWs) bands (ev): -98.4139 -98.4139 -98.3985 -98.3985 -14.0128 -14.0128 -13.4279 -13.4279 -13.3171 -13.3171 -12.8494 -12.8494 -6.8324 -6.8324 -6.5183 -6.5183 -6.2320 -6.2320 -6.1168 -6.1168 -5.3964 -5.3964 -5.3694 -5.3694 -5.1825 -5.1825 -4.7177 -4.7177 -3.9510 -3.9510 -2.6482 -2.6482 -1.5653 -1.5653 -0.6774 -0.6774 5.1812 5.1812 5.9289 5.9289 6.2586 6.2586 6.4979 6.4979 k = 0.4276 0.4342 0.1962 ( 12260 PWs) bands (ev): -98.4140 -98.4140 -98.3983 -98.3983 -14.0253 -14.0253 -13.4340 -13.4340 -13.3208 -13.3208 -12.8370 -12.8370 -6.8277 -6.8277 -6.4893 -6.4893 -6.1926 -6.1926 -6.1133 -6.1133 -5.3981 -5.3981 -5.3715 -5.3715 -5.2014 -5.2014 -4.7031 -4.7031 -3.9846 -3.9846 -2.6481 -2.6481 -1.5773 -1.5773 -0.6682 -0.6682 5.1333 5.1333 5.8974 5.8974 6.2652 6.2652 6.4597 6.4597 k = 0.4342 0.4240 0.1783 ( 12264 PWs) bands (ev): -98.4142 -98.4142 -98.3982 -98.3982 -14.0369 -14.0369 -13.4397 -13.4397 -13.3242 -13.3242 -12.8257 -12.8257 -6.8230 -6.8230 -6.4614 -6.4614 -6.1530 -6.1530 -6.1110 -6.1110 -5.4275 -5.4275 -5.3460 -5.3460 -5.2198 -5.2198 -4.6896 -4.6896 -4.0171 -4.0171 -2.6486 -2.6486 -1.5883 -1.5883 -0.6597 -0.6597 5.0887 5.0887 5.8682 5.8682 6.2726 6.2726 6.4236 6.4236 k = 0.4408 0.4138 0.1605 ( 12250 PWs) bands (ev): -98.4143 -98.4143 -98.3980 -98.3980 -14.0473 -14.0473 -13.4450 -13.4450 -13.3275 -13.3275 -12.8154 -12.8154 -6.8182 -6.8182 -6.4349 -6.4349 -6.1134 -6.1134 -6.1096 -6.1096 -5.4578 -5.4578 -5.3203 -5.3203 -5.2375 -5.2375 -4.6773 -4.6773 -4.0481 -4.0481 -2.6496 -2.6496 -1.5984 -1.5984 -0.6520 -0.6520 5.0478 5.0478 5.8413 5.8413 6.2805 6.2805 6.3898 6.3898 k = 0.4474 0.4036 0.1427 ( 12258 PWs) bands (ev): -98.4145 -98.4145 -98.3979 -98.3979 -14.0568 -14.0568 -13.4497 -13.4497 -13.3304 -13.3304 -12.8062 -12.8062 -6.8136 -6.8136 -6.4099 -6.4099 -6.1092 -6.1092 -6.0735 -6.0735 -5.4889 -5.4889 -5.2951 -5.2951 -5.2543 -5.2543 -4.6663 -4.6663 -4.0775 -4.0775 -2.6508 -2.6508 -1.6074 -1.6074 -0.6451 -0.6451 5.0106 5.0106 5.8170 5.8170 6.2887 6.2887 6.3588 6.3588 k = 0.4539 0.3933 0.1248 ( 12252 PWs) bands (ev): -98.4146 -98.4146 -98.3978 -98.3978 -14.0651 -14.0651 -13.4539 -13.4539 -13.3330 -13.3330 -12.7981 -12.7981 -6.8093 -6.8093 -6.3868 -6.3868 -6.1092 -6.1092 -6.0339 -6.0339 -5.5207 -5.5207 -5.2717 -5.2717 -5.2690 -5.2690 -4.6564 -4.6564 -4.1048 -4.1048 -2.6523 -2.6523 -1.6154 -1.6154 -0.6390 -0.6390 4.9774 4.9774 5.7952 5.7952 6.2970 6.2970 6.3308 6.3308 k = 0.4605 0.3831 0.1070 ( 12228 PWs) bands (ev): -98.4147 -98.4147 -98.3977 -98.3977 -14.0724 -14.0724 -13.4576 -13.4576 -13.3353 -13.3353 -12.7911 -12.7911 -6.8053 -6.8053 -6.3659 -6.3659 -6.1096 -6.1096 -5.9944 -5.9944 -5.5534 -5.5534 -5.2843 -5.2843 -5.2481 -5.2481 -4.6479 -4.6479 -4.1297 -4.1297 -2.6539 -2.6539 -1.6224 -1.6224 -0.6336 -0.6336 4.9483 4.9483 5.7762 5.7762 6.3049 6.3049 6.3060 6.3060 k = 0.4671 0.3729 0.0892 ( 12222 PWs) bands (ev): -98.4147 -98.4147 -98.3976 -98.3976 -14.0785 -14.0785 -13.4608 -13.4608 -13.3373 -13.3373 -12.7851 -12.7851 -6.8018 -6.8018 -6.3476 -6.3476 -6.1101 -6.1101 -5.9551 -5.9551 -5.5867 -5.5867 -5.2970 -5.2970 -5.2276 -5.2276 -4.6406 -4.6406 -4.1518 -4.1518 -2.6554 -2.6554 -1.6284 -1.6284 -0.6291 -0.6291 4.9235 4.9235 5.7600 5.7600 6.2847 6.2847 6.3123 6.3123 k = 0.4737 0.3627 0.0713 ( 12220 PWs) bands (ev): -98.4148 -98.4148 -98.3976 -98.3976 -14.0836 -14.0836 -13.4634 -13.4634 -13.3390 -13.3390 -12.7802 -12.7802 -6.7988 -6.7988 -6.3321 -6.3321 -6.1107 -6.1107 -5.9161 -5.9161 -5.6208 -5.6208 -5.3078 -5.3078 -5.2098 -5.2098 -4.6347 -4.6347 -4.1707 -4.1707 -2.6567 -2.6567 -1.6332 -1.6332 -0.6254 -0.6254 4.9030 4.9030 5.7466 5.7466 6.2671 6.2671 6.3189 6.3189 k = 0.4803 0.3524 0.0535 ( 12208 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.0875 -14.0875 -13.4655 -13.4655 -13.3403 -13.3403 -12.7764 -12.7764 -6.7964 -6.7964 -6.3197 -6.3197 -6.1112 -6.1112 -5.8775 -5.8775 -5.6556 -5.6556 -5.3165 -5.3165 -5.1954 -5.1954 -4.6300 -4.6300 -4.1860 -4.1860 -2.6579 -2.6579 -1.6370 -1.6370 -0.6225 -0.6225 4.8870 4.8870 5.7361 5.7361 6.2532 6.2532 6.3243 6.3243 k = 0.4868 0.3422 0.0357 ( 12222 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.0903 -14.0903 -13.4669 -13.4669 -13.3412 -13.3412 -12.7737 -12.7737 -6.7946 -6.7946 -6.3107 -6.3107 -6.1117 -6.1117 -5.8394 -5.8394 -5.6910 -5.6910 -5.3229 -5.3229 -5.1846 -5.1846 -4.6267 -4.6267 -4.1972 -4.1972 -2.6588 -2.6588 -1.6397 -1.6397 -0.6205 -0.6205 4.8755 4.8755 5.7286 5.7286 6.2432 6.2432 6.3283 6.3283 k = 0.4934 0.3320 0.0178 ( 12228 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0920 -14.0920 -13.4678 -13.4678 -13.3418 -13.3418 -12.7721 -12.7721 -6.7935 -6.7935 -6.3052 -6.3052 -6.1119 -6.1119 -5.8018 -5.8018 -5.7270 -5.7270 -5.3268 -5.3268 -5.1780 -5.1780 -4.6247 -4.6247 -4.2040 -4.2040 -2.6593 -2.6593 -1.6414 -1.6414 -0.6192 -0.6192 4.8686 4.8686 5.7240 5.7240 6.2372 6.2372 6.3308 6.3308 k = 0.5000 0.3217 0.0000 ( 12212 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0926 -14.0926 -13.4681 -13.4681 -13.3420 -13.3420 -12.7715 -12.7715 -6.7932 -6.7932 -6.3033 -6.3033 -6.1120 -6.1120 -5.7696 -5.7696 -5.7586 -5.7586 -5.3281 -5.3281 -5.1758 -5.1758 -4.6240 -4.6240 -4.2063 -4.2063 -2.6595 -2.6595 -1.6419 -1.6419 -0.6188 -0.6188 4.8663 4.8663 5.7225 5.7225 6.2352 6.2352 6.3316 6.3316 k = 0.5000 0.3217 0.0000 ( 12212 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0926 -14.0926 -13.4681 -13.4681 -13.3420 -13.3420 -12.7715 -12.7715 -6.7932 -6.7932 -6.3033 -6.3033 -6.1120 -6.1120 -5.7696 -5.7696 -5.7586 -5.7586 -5.3281 -5.3281 -5.1758 -5.1758 -4.6240 -4.6240 -4.2063 -4.2063 -2.6595 -2.6595 -1.6419 -1.6419 -0.6188 -0.6188 4.8663 4.8663 5.7225 5.7225 6.2352 6.2352 6.3316 6.3316 k = 0.4821 0.3103 0.0000 ( 12224 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0929 -14.0929 -13.4679 -13.4679 -13.3415 -13.3415 -12.7718 -12.7718 -6.7931 -6.7931 -6.3034 -6.3034 -6.1125 -6.1125 -5.7694 -5.7694 -5.7588 -5.7588 -5.3281 -5.3281 -5.1757 -5.1757 -4.6242 -4.6242 -4.2065 -4.2065 -2.6598 -2.6598 -1.6411 -1.6411 -0.6185 -0.6185 4.8643 4.8643 5.7200 5.7200 6.2362 6.2362 6.3338 6.3338 k = 0.4643 0.2988 0.0000 ( 12212 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0939 -14.0939 -13.4674 -13.4674 -13.3401 -13.3401 -12.7724 -12.7724 -6.7927 -6.7927 -6.3037 -6.3037 -6.1140 -6.1140 -5.7686 -5.7686 -5.7593 -5.7593 -5.3279 -5.3279 -5.1753 -5.1753 -4.6248 -4.6248 -4.2068 -4.2068 -2.6607 -2.6607 -1.6385 -1.6385 -0.6175 -0.6175 4.8585 4.8585 5.7124 5.7124 6.2394 6.2394 6.3403 6.3403 k = 0.4464 0.2873 0.0000 ( 12222 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0956 -14.0956 -13.4666 -13.4666 -13.3379 -13.3379 -12.7734 -12.7734 -6.7921 -6.7921 -6.3042 -6.3042 -6.1165 -6.1165 -5.7674 -5.7674 -5.7601 -5.7601 -5.3276 -5.3276 -5.1746 -5.1746 -4.6259 -4.6259 -4.2073 -4.2073 -2.6623 -2.6623 -1.6343 -1.6343 -0.6159 -0.6159 4.8490 4.8490 5.6999 5.6999 6.2447 6.2447 6.3509 6.3509 k = 0.4286 0.2758 0.0000 ( 12226 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0979 -14.0979 -13.4654 -13.4654 -13.3348 -13.3348 -12.7749 -12.7749 -6.7913 -6.7913 -6.3048 -6.3048 -6.1199 -6.1199 -5.7658 -5.7658 -5.7612 -5.7612 -5.3272 -5.3272 -5.1737 -5.1737 -4.6273 -4.6273 -4.2081 -4.2081 -2.6643 -2.6643 -1.6284 -1.6284 -0.6136 -0.6136 4.8358 4.8358 5.6830 5.6830 6.2525 6.2525 6.3655 6.3655 k = 0.4107 0.2643 0.0000 ( 12222 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1007 -14.1007 -13.4640 -13.4640 -13.3309 -13.3309 -12.7767 -12.7767 -6.7902 -6.7902 -6.3057 -6.3057 -6.1242 -6.1242 -5.7637 -5.7637 -5.7627 -5.7627 -5.3266 -5.3266 -5.1725 -5.1725 -4.6292 -4.6292 -4.2091 -4.2091 -2.6670 -2.6670 -1.6210 -1.6210 -0.6108 -0.6108 4.8194 4.8194 5.6621 5.6621 6.2627 6.2627 6.3838 6.3838 k = 0.3929 0.2528 0.0000 ( 12215 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1041 -14.1041 -13.4622 -13.4622 -13.3263 -13.3263 -12.7789 -12.7789 -6.7890 -6.7890 -6.3066 -6.3066 -6.1294 -6.1294 -5.7644 -5.7644 -5.7612 -5.7612 -5.3260 -5.3260 -5.1711 -5.1711 -4.6314 -4.6314 -4.2103 -4.2103 -2.6701 -2.6701 -1.6121 -1.6121 -0.6074 -0.6074 4.8001 4.8001 5.6376 5.6376 6.2756 6.2756 6.4056 6.4056 k = 0.3750 0.2413 0.0000 ( 12229 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1079 -14.1079 -13.4602 -13.4602 -13.3211 -13.3211 -12.7814 -12.7814 -6.7875 -6.7875 -6.3078 -6.3078 -6.1353 -6.1353 -5.7664 -5.7664 -5.7582 -5.7582 -5.3252 -5.3252 -5.1696 -5.1696 -4.6339 -4.6339 -4.2117 -4.2117 -2.6737 -2.6737 -1.6019 -1.6019 -0.6035 -0.6035 4.7780 4.7780 5.6102 5.6102 6.2910 6.2910 6.4308 6.4308 k = 0.3571 0.2298 0.0000 ( 12235 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1122 -14.1122 -13.4579 -13.4579 -13.3152 -13.3152 -12.7843 -12.7843 -6.7859 -6.7859 -6.3090 -6.3090 -6.1420 -6.1420 -5.7686 -5.7686 -5.7549 -5.7549 -5.3242 -5.3242 -5.1678 -5.1678 -4.6368 -4.6368 -4.2133 -4.2133 -2.6777 -2.6777 -1.5904 -1.5904 -0.5992 -0.5992 4.7538 4.7538 5.5804 5.5804 6.3092 6.3092 6.4592 6.4592 k = 0.3393 0.2183 0.0000 ( 12245 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1167 -14.1167 -13.4554 -13.4554 -13.3089 -13.3089 -12.7875 -12.7875 -6.7841 -6.7841 -6.3104 -6.3104 -6.1493 -6.1493 -5.7710 -5.7710 -5.7513 -5.7513 -5.3232 -5.3232 -5.1659 -5.1659 -4.6400 -4.6400 -4.2150 -4.2150 -2.6820 -2.6820 -1.5778 -1.5778 -0.5945 -0.5945 4.7276 4.7276 5.5488 5.5488 6.3300 6.3300 6.4905 6.4905 k = 0.3214 0.2068 0.0000 ( 12247 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1216 -14.1216 -13.4527 -13.4527 -13.3022 -13.3022 -12.7909 -12.7909 -6.7821 -6.7821 -6.3119 -6.3119 -6.1571 -6.1571 -5.7737 -5.7737 -5.7474 -5.7474 -5.3219 -5.3219 -5.1638 -5.1638 -4.6434 -4.6434 -4.2170 -4.2170 -2.6866 -2.6866 -1.5643 -1.5643 -0.5895 -0.5895 4.6999 4.6999 5.5161 5.5161 6.3533 6.3533 6.5247 6.5247 k = 0.3036 0.1953 0.0000 ( 12263 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1266 -14.1266 -13.4497 -13.4497 -13.2953 -13.2953 -12.7945 -12.7945 -6.7801 -6.7801 -6.3134 -6.3134 -6.1653 -6.1653 -5.7765 -5.7765 -5.7432 -5.7432 -5.3206 -5.3206 -5.1616 -5.1616 -4.6471 -4.6471 -4.2191 -4.2191 -2.6915 -2.6915 -1.5500 -1.5500 -0.5842 -0.5842 4.6712 4.6712 5.4826 5.4826 6.3792 6.3792 6.5615 6.5615 k = 0.2857 0.1839 0.0000 ( 12273 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1317 -14.1317 -13.4467 -13.4467 -13.2881 -13.2881 -12.7983 -12.7983 -6.7779 -6.7779 -6.3151 -6.3151 -6.1738 -6.1738 -5.7794 -5.7794 -5.7389 -5.7389 -5.3191 -5.3191 -5.1594 -5.1594 -4.6510 -4.6510 -4.2214 -4.2214 -2.6965 -2.6965 -1.5350 -1.5350 -0.5788 -0.5788 4.6417 4.6417 5.4490 5.4490 6.4073 6.4073 6.6009 6.6009 k = 0.2679 0.1724 0.0000 ( 12281 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1369 -14.1369 -13.4435 -13.4435 -13.2808 -13.2808 -12.8022 -12.8022 -6.7757 -6.7757 -6.3167 -6.3167 -6.1826 -6.1826 -5.7824 -5.7824 -5.7343 -5.7343 -5.3175 -5.3175 -5.1570 -5.1570 -4.6550 -4.6550 -4.2238 -4.2238 -2.7016 -2.7016 -1.5197 -1.5197 -0.5733 -0.5733 4.6119 4.6119 5.4157 5.4157 6.4374 6.4374 6.6426 6.6426 k = 0.2500 0.1609 0.0000 ( 12289 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1421 -14.1421 -13.4402 -13.4402 -13.2735 -13.2735 -12.8063 -12.8063 -6.7734 -6.7734 -6.3183 -6.3183 -6.1915 -6.1915 -5.7855 -5.7855 -5.7297 -5.7297 -5.3159 -5.3159 -5.1547 -5.1547 -4.6591 -4.6591 -4.2263 -4.2263 -2.7067 -2.7067 -1.5041 -1.5041 -0.5677 -0.5677 4.5822 4.5822 5.3830 5.3830 6.4694 6.4694 6.6866 6.6866 k = 0.2321 0.1494 0.0000 ( 12299 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1472 -14.1472 -13.4369 -13.4369 -13.2662 -13.2662 -12.8104 -12.8104 -6.7712 -6.7712 -6.3200 -6.3200 -6.2004 -6.2004 -5.7885 -5.7885 -5.7250 -5.7250 -5.3141 -5.3141 -5.1524 -5.1524 -4.6633 -4.6633 -4.2288 -4.2288 -2.7117 -2.7117 -1.4885 -1.4885 -0.5622 -0.5622 4.5528 4.5528 5.3513 5.3513 6.5028 6.5028 6.7327 6.7327 k = 0.2143 0.1379 0.0000 ( 12287 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1521 -14.1521 -13.4336 -13.4336 -13.2592 -13.2592 -12.8144 -12.8144 -6.7689 -6.7689 -6.3216 -6.3216 -6.2091 -6.2091 -5.7916 -5.7916 -5.7204 -5.7204 -5.3123 -5.3123 -5.1501 -5.1501 -4.6675 -4.6675 -4.2314 -4.2314 -2.7167 -2.7167 -1.4730 -1.4730 -0.5567 -0.5567 4.5241 4.5241 5.3210 5.3210 6.5372 6.5372 6.7808 6.7808 k = 0.1964 0.1264 0.0000 ( 12281 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1569 -14.1569 -13.4303 -13.4303 -13.2523 -13.2523 -12.8184 -12.8184 -6.7667 -6.7667 -6.3232 -6.3232 -6.2176 -6.2176 -5.7946 -5.7946 -5.7158 -5.7158 -5.3105 -5.3105 -5.1479 -5.1479 -4.6716 -4.6716 -4.2339 -4.2339 -2.7214 -2.7214 -1.4579 -1.4579 -0.5515 -0.5515 4.4965 4.4965 5.2923 5.2923 6.5723 6.5723 6.8307 6.8307 k = 0.1786 0.1149 0.0000 ( 12287 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1614 -14.1614 -13.4271 -13.4271 -13.2458 -13.2458 -12.8223 -12.8223 -6.7645 -6.7645 -6.3247 -6.3247 -6.2258 -6.2258 -5.7974 -5.7974 -5.7114 -5.7114 -5.3088 -5.3088 -5.1457 -5.1457 -4.6756 -4.6756 -4.2364 -4.2364 -2.7260 -2.7260 -1.4433 -1.4433 -0.5465 -0.5465 4.4701 4.4701 5.2654 5.2654 6.6074 6.6074 6.8823 6.8823 k = 0.1607 0.1034 0.0000 ( 12297 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1656 -14.1656 -13.4241 -13.4241 -13.2397 -13.2397 -12.8260 -12.8260 -6.7625 -6.7625 -6.3261 -6.3261 -6.2335 -6.2335 -5.8002 -5.8002 -5.7071 -5.7071 -5.3070 -5.3070 -5.1437 -5.1437 -4.6795 -4.6795 -4.2388 -4.2388 -2.7303 -2.7303 -1.4295 -1.4295 -0.5417 -0.5417 4.4454 4.4454 5.2405 5.2405 6.6420 6.6420 6.9352 6.9352 k = 0.1429 0.0919 0.0000 ( 12303 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1694 -14.1694 -13.4212 -13.4212 -13.2341 -13.2341 -12.8295 -12.8295 -6.7606 -6.7606 -6.3275 -6.3275 -6.2407 -6.2407 -5.8027 -5.8027 -5.7031 -5.7031 -5.3054 -5.3054 -5.1418 -5.1418 -4.6831 -4.6831 -4.2411 -4.2411 -2.7343 -2.7343 -1.4165 -1.4165 -0.5374 -0.5374 4.4225 4.4225 5.2179 5.2179 6.6754 6.6754 6.9892 6.9892 k = 0.1250 0.0804 0.0000 ( 12289 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1730 -14.1730 -13.4185 -13.4185 -13.2290 -13.2290 -12.8328 -12.8328 -6.7588 -6.7588 -6.3287 -6.3287 -6.2473 -6.2473 -5.8051 -5.8051 -5.6995 -5.6995 -5.3038 -5.3038 -5.1401 -5.1401 -4.6865 -4.6865 -4.2432 -4.2432 -2.7379 -2.7379 -1.4047 -1.4047 -0.5334 -0.5334 4.4018 4.4018 5.1976 5.1976 6.7070 6.7070 7.0438 7.0438 k = 0.1071 0.0689 0.0000 ( 12281 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1761 -14.1761 -13.4161 -13.4161 -13.2244 -13.2244 -12.8357 -12.8357 -6.7573 -6.7573 -6.3297 -6.3297 -6.2531 -6.2531 -5.8072 -5.8072 -5.6962 -5.6962 -5.3024 -5.3024 -5.1386 -5.1386 -4.6895 -4.6895 -4.2452 -4.2452 -2.7411 -2.7411 -1.3941 -1.3941 -0.5298 -0.5298 4.3833 4.3833 5.1798 5.1798 6.7361 6.7361 7.0982 7.0982 k = 0.0893 0.0575 0.0000 ( 12289 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1787 -14.1787 -13.4140 -13.4140 -13.2205 -13.2205 -12.8382 -12.8382 -6.7559 -6.7559 -6.3307 -6.3307 -6.2582 -6.2582 -5.8090 -5.8090 -5.6933 -5.6933 -5.3011 -5.3011 -5.1372 -5.1372 -4.6921 -4.6921 -4.2468 -4.2468 -2.7439 -2.7439 -1.3848 -1.3848 -0.5268 -0.5268 4.3674 4.3674 5.1646 5.1646 6.7620 6.7620 7.1513 7.1513 k = 0.0714 0.0460 0.0000 ( 12299 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1810 -14.1810 -13.4123 -13.4123 -13.2172 -13.2172 -12.8404 -12.8404 -6.7547 -6.7547 -6.3315 -6.3315 -6.2625 -6.2625 -5.8106 -5.8106 -5.6908 -5.6908 -5.3001 -5.3001 -5.1361 -5.1361 -4.6943 -4.6943 -4.2483 -4.2483 -2.7462 -2.7462 -1.3771 -1.3771 -0.5242 -0.5242 4.3541 4.3541 5.1521 5.1521 6.7841 6.7841 7.2015 7.2015 k = 0.0536 0.0345 0.0000 ( 12303 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1827 -14.1827 -13.4108 -13.4108 -13.2146 -13.2146 -12.8421 -12.8421 -6.7538 -6.7538 -6.3321 -6.3321 -6.2658 -6.2658 -5.8118 -5.8118 -5.6889 -5.6889 -5.2992 -5.2992 -5.1353 -5.1353 -4.6961 -4.6961 -4.2494 -4.2494 -2.7480 -2.7480 -1.3709 -1.3709 -0.5222 -0.5222 4.3437 4.3437 5.1422 5.1422 6.8020 6.8020 7.2464 7.2464 k = 0.0357 0.0230 0.0000 ( 12307 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1840 -14.1840 -13.4098 -13.4098 -13.2128 -13.2128 -12.8433 -12.8433 -6.7531 -6.7531 -6.3325 -6.3325 -6.2683 -6.2683 -5.8127 -5.8127 -5.6875 -5.6875 -5.2986 -5.2986 -5.1346 -5.1346 -4.6974 -4.6974 -4.2502 -4.2502 -2.7493 -2.7493 -1.3665 -1.3665 -0.5207 -0.5207 4.3361 4.3361 5.1352 5.1352 6.8151 6.8151 7.2828 7.2828 k = 0.0179 0.0115 0.0000 ( 12301 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1847 -14.1847 -13.4092 -13.4092 -13.2117 -13.2117 -12.8441 -12.8441 -6.7527 -6.7527 -6.3328 -6.3328 -6.2697 -6.2697 -5.8132 -5.8132 -5.6867 -5.6867 -5.2982 -5.2982 -5.1342 -5.1342 -4.6982 -4.6982 -4.2507 -4.2507 -2.7501 -2.7501 -1.3638 -1.3638 -0.5199 -0.5199 4.3315 4.3315 5.1309 5.1309 6.8230 6.8230 7.3070 7.3070 k = 0.0000 0.0000 0.0000 ( 12297 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1850 -14.1850 -13.4090 -13.4090 -13.2113 -13.2113 -12.8443 -12.8443 -6.7526 -6.7526 -6.3329 -6.3329 -6.2702 -6.2702 -5.8134 -5.8134 -5.6864 -5.6864 -5.2981 -5.2981 -5.1341 -5.1341 -4.6985 -4.6985 -4.2509 -4.2509 -2.7503 -2.7503 -1.3629 -1.3629 -0.5196 -0.5196 4.3300 4.3300 5.1295 5.1295 6.8257 6.8257 7.3155 7.3155 k = 0.0000 0.0000 0.0000 ( 12297 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1850 -14.1850 -13.4090 -13.4090 -13.2113 -13.2113 -12.8443 -12.8443 -6.7526 -6.7526 -6.3329 -6.3329 -6.2702 -6.2702 -5.8134 -5.8134 -5.6864 -5.6864 -5.2981 -5.2981 -5.1341 -5.1341 -4.6985 -4.6985 -4.2509 -4.2509 -2.7503 -2.7503 -1.3629 -1.3629 -0.5196 -0.5196 4.3300 4.3300 5.1295 5.1295 6.8257 6.8257 7.3155 7.3155 k = 0.0097-0.0151 0.0122 ( 12301 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1847 -14.1847 -13.4093 -13.4093 -13.2113 -13.2113 -12.8444 -12.8444 -6.7524 -6.7524 -6.3331 -6.3331 -6.2699 -6.2699 -5.8132 -5.8132 -5.6867 -5.6867 -5.2979 -5.2979 -5.1343 -5.1343 -4.6985 -4.6985 -4.2503 -4.2503 -2.7507 -2.7507 -1.3628 -1.3628 -0.5210 -0.5210 4.3325 4.3325 5.1309 5.1309 6.8267 6.8267 7.3160 7.3160 k = 0.0194-0.0302 0.0245 ( 12293 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1839 -14.1839 -13.4102 -13.4102 -13.2112 -13.2112 -12.8447 -12.8447 -6.7518 -6.7518 -6.3338 -6.3338 -6.2688 -6.2688 -5.8126 -5.8126 -5.6876 -5.6876 -5.2975 -5.2975 -5.1350 -5.1350 -4.6987 -4.6987 -4.2483 -4.2483 -2.7516 -2.7516 -1.3623 -1.3623 -0.5252 -0.5252 4.3398 4.3398 5.1350 5.1350 6.8295 6.8295 7.3177 7.3177 k = 0.0292-0.0453 0.0367 ( 12297 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1826 -14.1826 -13.4117 -13.4117 -13.2111 -13.2111 -12.8452 -12.8452 -6.7509 -6.7509 -6.3350 -6.3350 -6.2669 -6.2669 -5.8116 -5.8116 -5.6890 -5.6890 -5.2967 -5.2967 -5.1361 -5.1361 -4.6989 -4.6989 -4.2450 -4.2450 -2.7532 -2.7532 -1.3617 -1.3617 -0.5321 -0.5321 4.3519 4.3519 5.1419 5.1419 6.8339 6.8339 7.3204 7.3204 k = 0.0389-0.0604 0.0490 ( 12307 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1807 -14.1807 -13.4139 -13.4139 -13.2110 -13.2110 -12.8458 -12.8458 -6.7496 -6.7496 -6.3367 -6.3367 -6.2644 -6.2644 -5.8103 -5.8103 -5.6910 -5.6910 -5.2956 -5.2956 -5.1377 -5.1377 -4.6993 -4.6993 -4.2405 -4.2405 -2.7554 -2.7554 -1.3607 -1.3607 -0.5416 -0.5416 4.3687 4.3687 5.1515 5.1515 6.8396 6.8396 7.3242 7.3242 k = 0.0486-0.0755 0.0612 ( 12301 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1783 -14.1783 -13.4166 -13.4166 -13.2108 -13.2108 -12.8466 -12.8466 -6.7479 -6.7479 -6.3387 -6.3387 -6.2612 -6.2612 -5.8085 -5.8085 -5.6936 -5.6936 -5.2943 -5.2943 -5.1396 -5.1396 -4.6998 -4.6998 -4.2347 -4.2347 -2.7581 -2.7581 -1.3596 -1.3596 -0.5536 -0.5536 4.3900 4.3900 5.1639 5.1639 6.8462 6.8462 7.3292 7.3292 k = 0.0583-0.0906 0.0735 ( 12295 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1755 -14.1755 -13.4198 -13.4198 -13.2107 -13.2107 -12.8476 -12.8476 -6.7459 -6.7459 -6.3412 -6.3412 -6.2573 -6.2573 -5.8065 -5.8065 -5.6968 -5.6968 -5.2927 -5.2927 -5.1419 -5.1419 -4.7003 -4.7003 -4.2279 -4.2279 -2.7613 -2.7613 -1.3583 -1.3583 -0.5679 -0.5679 4.4157 4.4157 5.1791 5.1791 6.8527 6.8527 7.3351 7.3351 k = 0.0680-0.1057 0.0857 ( 12287 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1722 -14.1722 -13.4236 -13.4236 -13.2106 -13.2106 -12.8486 -12.8486 -6.7436 -6.7436 -6.3441 -6.3441 -6.2527 -6.2527 -5.8040 -5.8040 -5.7004 -5.7004 -5.2908 -5.2908 -5.1447 -5.1447 -4.7009 -4.7009 -4.2201 -4.2201 -2.7650 -2.7650 -1.3568 -1.3568 -0.5842 -0.5842 4.4455 4.4455 5.1971 5.1971 6.8579 6.8579 7.3422 7.3422 k = 0.0777-0.1208 0.0980 ( 12303 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1684 -14.1684 -13.4278 -13.4278 -13.2105 -13.2105 -12.8497 -12.8497 -6.7410 -6.7410 -6.3473 -6.3473 -6.2474 -6.2474 -5.8013 -5.8013 -5.7045 -5.7045 -5.2888 -5.2888 -5.1477 -5.1477 -4.7015 -4.7015 -4.2113 -4.2113 -2.7691 -2.7691 -1.3553 -1.3553 -0.6023 -0.6023 4.4792 4.4792 5.2179 5.2179 6.8596 6.8596 7.3501 7.3501 k = 0.0875-0.1359 0.1102 ( 12321 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1642 -14.1642 -13.4325 -13.4325 -13.2106 -13.2106 -12.8509 -12.8509 -6.7382 -6.7382 -6.3508 -6.3508 -6.2416 -6.2416 -5.7983 -5.7983 -5.7091 -5.7091 -5.2866 -5.2866 -5.1511 -5.1511 -4.7022 -4.7022 -4.2017 -4.2017 -2.7735 -2.7735 -1.3538 -1.3538 -0.6219 -0.6219 4.5164 4.5164 5.2415 5.2415 6.8543 6.8543 7.2889 7.2889 k = 0.0972-0.1510 0.1224 ( 12317 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1597 -14.1597 -13.4376 -13.4376 -13.2107 -13.2107 -12.8521 -12.8521 -6.7352 -6.7352 -6.3546 -6.3546 -6.2352 -6.2352 -5.7950 -5.7950 -5.7141 -5.7141 -5.2843 -5.2843 -5.1547 -5.1547 -4.7029 -4.7029 -4.1915 -4.1915 -2.7781 -2.7781 -1.3524 -1.3524 -0.6427 -0.6427 4.5569 4.5569 5.2680 5.2680 6.8370 6.8370 7.2228 7.2228 k = 0.1069-0.1661 0.1347 ( 12313 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1547 -14.1547 -13.4430 -13.4430 -13.2109 -13.2109 -12.8533 -12.8533 -6.7320 -6.7320 -6.3586 -6.3586 -6.2282 -6.2282 -5.7915 -5.7915 -5.7195 -5.7195 -5.2819 -5.2819 -5.1586 -5.1586 -4.7035 -4.7035 -4.1807 -4.1807 -2.7829 -2.7829 -1.3511 -1.3511 -0.6644 -0.6644 4.6003 4.6003 5.2972 5.2972 6.8024 6.8024 7.1760 7.1760 k = 0.1166-0.1812 0.1469 ( 12321 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1495 -14.1495 -13.4487 -13.4487 -13.2113 -13.2113 -12.8543 -12.8543 -6.7286 -6.7286 -6.3628 -6.3628 -6.2207 -6.2207 -5.7878 -5.7878 -5.7253 -5.7253 -5.2794 -5.2794 -5.1627 -5.1627 -4.7041 -4.7041 -4.1696 -4.1696 -2.7878 -2.7878 -1.3499 -1.3499 -0.6867 -0.6867 4.6464 4.6464 5.3294 5.3294 6.7494 6.7494 7.1497 7.1497 k = 0.1263-0.1963 0.1592 ( 12317 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1441 -14.1441 -13.4547 -13.4547 -13.2119 -13.2119 -12.8553 -12.8553 -6.7252 -6.7252 -6.3670 -6.3670 -6.2127 -6.2127 -5.7839 -5.7839 -5.7314 -5.7314 -5.2769 -5.2769 -5.1669 -5.1669 -4.7046 -4.7046 -4.1583 -4.1583 -2.7926 -2.7926 -1.3491 -1.3491 -0.7093 -0.7093 4.6947 4.6947 5.3643 5.3643 6.6818 6.6818 7.1395 7.1395 k = 0.1360-0.2114 0.1714 ( 12319 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1384 -14.1384 -13.4608 -13.4608 -13.2127 -13.2127 -12.8562 -12.8562 -6.7219 -6.7219 -6.3713 -6.3713 -6.2043 -6.2043 -5.7799 -5.7799 -5.7378 -5.7378 -5.2745 -5.2745 -5.1713 -5.1713 -4.7051 -4.7051 -4.1469 -4.1469 -2.7974 -2.7974 -1.3485 -1.3485 -0.7318 -0.7318 4.7449 4.7449 5.4020 5.4020 6.6052 6.6052 7.1395 7.1395 k = 0.1458-0.2265 0.1837 ( 12319 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1325 -14.1325 -13.4670 -13.4670 -13.2138 -13.2138 -12.8568 -12.8568 -6.7185 -6.7185 -6.3755 -6.3755 -6.1955 -6.1955 -5.7758 -5.7758 -5.7445 -5.7445 -5.2721 -5.2721 -5.1756 -5.1756 -4.7053 -4.7053 -4.1356 -4.1356 -2.8021 -2.8021 -1.3484 -1.3484 -0.7539 -0.7539 4.7967 4.7967 5.4424 5.4424 6.5238 6.5238 7.1451 7.1451 k = 0.1555-0.2416 0.1959 ( 12323 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1266 -14.1266 -13.4732 -13.4732 -13.2151 -13.2151 -12.8572 -12.8572 -6.7153 -6.7153 -6.3795 -6.3795 -6.1864 -6.1864 -5.7717 -5.7717 -5.7514 -5.7514 -5.2699 -5.2699 -5.1800 -5.1800 -4.7055 -4.7055 -4.1246 -4.1246 -2.8064 -2.8064 -1.3487 -1.3487 -0.7754 -0.7754 4.8496 4.8496 5.4856 5.4856 6.4403 6.4403 7.1532 7.1532 k = 0.1652-0.2567 0.2082 ( 12319 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1206 -14.1206 -13.4794 -13.4794 -13.2168 -13.2168 -12.8574 -12.8574 -6.7123 -6.7123 -6.3834 -6.3834 -6.1770 -6.1770 -5.7676 -5.7676 -5.7584 -5.7584 -5.2679 -5.2679 -5.1844 -5.1844 -4.7054 -4.7054 -4.1140 -4.1140 -2.8105 -2.8105 -1.3495 -1.3495 -0.7959 -0.7959 4.9034 4.9034 5.5314 5.5314 6.3563 6.3563 7.1619 7.1619 k = 0.1749-0.2718 0.2204 ( 12329 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1146 -14.1146 -13.4855 -13.4855 -13.2188 -13.2188 -12.8573 -12.8573 -6.7096 -6.7096 -6.3869 -6.3869 -6.1674 -6.1674 -5.7655 -5.7655 -5.7635 -5.7635 -5.2661 -5.2661 -5.1886 -5.1886 -4.7052 -4.7052 -4.1041 -4.1041 -2.8142 -2.8142 -1.3508 -1.3508 -0.8151 -0.8151 4.9576 4.9576 5.5797 5.5797 6.2727 6.2727 7.1698 7.1698 k = 0.1846-0.2869 0.2326 ( 12325 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1087 -14.1087 -13.4914 -13.4914 -13.2211 -13.2211 -12.8569 -12.8569 -6.7072 -6.7072 -6.3900 -6.3900 -6.1577 -6.1577 -5.7727 -5.7727 -5.7596 -5.7596 -5.2646 -5.2646 -5.1927 -5.1927 -4.7047 -4.7047 -4.0948 -4.0948 -2.8174 -2.8174 -1.3528 -1.3528 -0.8328 -0.8328 5.0119 5.0119 5.6304 5.6304 6.1903 6.1903 7.1759 7.1759 k = 0.1943-0.3020 0.2449 ( 12329 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.1029 -14.1029 -13.4970 -13.4970 -13.2237 -13.2237 -12.8561 -12.8561 -6.7053 -6.7053 -6.3927 -6.3927 -6.1479 -6.1479 -5.7799 -5.7799 -5.7558 -5.7558 -5.2634 -5.2634 -5.1965 -5.1965 -4.7039 -4.7039 -4.0865 -4.0865 -2.8201 -2.8201 -1.3555 -1.3555 -0.8488 -0.8488 5.0659 5.0659 5.6832 5.6832 6.1097 6.1097 7.1796 7.1796 k = 0.2041-0.3171 0.2571 ( 12321 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0974 -14.0974 -13.5023 -13.5023 -13.2267 -13.2267 -12.8550 -12.8550 -6.7038 -6.7038 -6.3949 -6.3949 -6.1382 -6.1382 -5.7871 -5.7871 -5.7522 -5.7522 -5.2625 -5.2625 -5.2001 -5.2001 -4.7029 -4.7029 -4.0792 -4.0792 -2.8221 -2.8221 -1.3588 -1.3588 -0.8628 -0.8628 5.1194 5.1194 5.7375 5.7375 6.0316 6.0316 7.1802 7.1802 k = 0.2138-0.3322 0.2694 ( 12307 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0921 -14.0921 -13.5071 -13.5071 -13.2300 -13.2300 -12.8536 -12.8536 -6.7029 -6.7029 -6.3964 -6.3964 -6.1285 -6.1285 -5.7940 -5.7940 -5.7488 -5.7488 -5.2619 -5.2619 -5.2034 -5.2034 -4.7016 -4.7016 -4.0730 -4.0730 -2.8236 -2.8236 -1.3629 -1.3629 -0.8747 -0.8747 5.1720 5.1720 5.7912 5.7912 5.9583 5.9583 7.1774 7.1774 k = 0.2235-0.3473 0.2816 ( 12305 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0872 -14.0872 -13.5115 -13.5115 -13.2336 -13.2336 -12.8518 -12.8518 -6.7026 -6.7026 -6.3972 -6.3972 -6.1191 -6.1191 -5.8008 -5.8008 -5.7457 -5.7457 -5.2618 -5.2618 -5.2063 -5.2063 -4.7000 -4.7000 -4.0680 -4.0680 -2.8244 -2.8244 -1.3677 -1.3677 -0.8843 -0.8843 5.2235 5.2235 5.8270 5.8270 5.9070 5.9070 7.1465 7.1465 k = 0.2332-0.3624 0.2939 ( 12309 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0827 -14.0827 -13.5153 -13.5153 -13.2376 -13.2376 -12.8497 -12.8497 -6.7029 -6.7029 -6.3974 -6.3974 -6.1100 -6.1100 -5.8073 -5.8073 -5.7430 -5.7430 -5.2621 -5.2621 -5.2089 -5.2089 -4.6980 -4.6980 -4.0642 -4.0642 -2.8244 -2.8244 -1.3733 -1.3733 -0.8916 -0.8916 5.2735 5.2735 5.7875 5.7875 5.9354 5.9354 7.0921 7.0921 k = 0.2429-0.3775 0.3061 ( 12299 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0787 -14.0787 -13.5186 -13.5186 -13.2418 -13.2418 -12.8473 -12.8473 -6.7039 -6.7039 -6.3969 -6.3969 -6.1013 -6.1013 -5.8133 -5.8133 -5.7405 -5.7405 -5.2627 -5.2627 -5.2110 -5.2110 -4.6958 -4.6958 -4.0618 -4.0618 -2.8237 -2.8237 -1.3797 -1.3797 -0.8965 -0.8965 5.3218 5.3218 5.7221 5.7221 5.9937 5.9937 7.0364 7.0364 k = 0.2526-0.3926 0.3184 ( 12291 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0751 -14.0751 -13.5212 -13.5212 -13.2463 -13.2463 -12.8446 -12.8446 -6.7055 -6.7055 -6.3956 -6.3956 -6.0933 -6.0933 -5.8188 -5.8188 -5.7385 -5.7385 -5.2638 -5.2638 -5.2127 -5.2127 -4.6934 -4.6934 -4.0607 -4.0607 -2.8222 -2.8222 -1.3869 -1.3869 -0.8989 -0.8989 5.3682 5.3682 5.6556 5.6556 6.0573 6.0573 6.9799 6.9799 k = 0.2624-0.4077 0.3306 ( 12283 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0721 -14.0721 -13.5231 -13.5231 -13.2510 -13.2510 -12.8416 -12.8416 -6.7077 -6.7077 -6.3937 -6.3937 -6.0859 -6.0859 -5.8236 -5.8236 -5.7368 -5.7368 -5.2652 -5.2652 -5.2139 -5.2139 -4.6906 -4.6906 -4.0610 -4.0610 -2.8200 -2.8200 -1.3949 -1.3949 -0.8988 -0.8988 5.4124 5.4124 5.5907 5.5907 6.1231 6.1231 6.9230 6.9230 k = 0.2721-0.4228 0.3428 ( 12273 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0696 -14.0696 -13.5243 -13.5243 -13.2559 -13.2559 -12.8383 -12.8383 -6.7105 -6.7105 -6.3911 -6.3911 -6.0794 -6.0794 -5.8277 -5.8277 -5.7355 -5.7355 -5.2671 -5.2671 -5.2146 -5.2146 -4.6876 -4.6876 -4.0625 -4.0625 -2.8169 -2.8169 -1.4036 -1.4036 -0.8963 -0.8963 5.4545 5.4545 5.5282 5.5282 6.1903 6.1903 6.8663 6.8663 k = 0.2818-0.4379 0.3551 ( 12267 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0677 -14.0677 -13.5249 -13.5249 -13.2610 -13.2610 -12.8349 -12.8349 -6.7139 -6.7139 -6.3879 -6.3879 -6.0738 -6.0738 -5.8309 -5.8309 -5.7347 -5.7347 -5.2693 -5.2693 -5.2149 -5.2149 -4.6844 -4.6844 -4.0653 -4.0653 -2.8130 -2.8130 -1.4130 -1.4130 -0.8915 -0.8915 5.4683 5.4683 5.4941 5.4941 6.2585 6.2585 6.8100 6.8100 k = 0.2915-0.4530 0.3673 ( 12253 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0663 -14.0663 -13.5247 -13.5247 -13.2662 -13.2662 -12.8312 -12.8312 -6.7176 -6.7176 -6.3842 -6.3842 -6.0694 -6.0694 -5.8331 -5.8331 -5.7342 -5.7342 -5.2718 -5.2718 -5.2147 -5.2147 -4.6810 -4.6810 -4.0693 -4.0693 -2.8084 -2.8084 -1.4232 -1.4232 -0.8845 -0.8845 5.4113 5.4113 5.5313 5.5313 6.3271 6.3271 6.7546 6.7546 k = 0.3012-0.4681 0.3796 ( 12256 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0655 -14.0655 -13.5239 -13.5239 -13.2715 -13.2715 -12.8275 -12.8275 -6.7218 -6.7218 -6.3800 -6.3800 -6.0661 -6.0661 -5.8342 -5.8342 -5.7341 -5.7341 -5.2746 -5.2746 -5.2141 -5.2141 -4.6774 -4.6774 -4.0743 -4.0743 -2.8030 -2.8030 -1.4341 -1.4341 -0.8755 -0.8755 5.3571 5.3571 5.5658 5.5658 6.3958 6.3958 6.7003 6.7003 k = 0.3109-0.4832 0.3918 ( 12248 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0652 -14.0652 -13.5225 -13.5225 -13.2768 -13.2768 -12.8236 -12.8236 -6.7263 -6.7263 -6.3754 -6.3754 -6.0640 -6.0640 -5.8342 -5.8342 -5.7344 -5.7344 -5.2776 -5.2776 -5.2130 -5.2130 -4.6738 -4.6738 -4.0803 -4.0803 -2.7968 -2.7968 -1.4455 -1.4455 -0.8646 -0.8646 5.3058 5.3058 5.5977 5.5977 6.4639 6.4639 6.6476 6.6476 k = 0.3207-0.4983 0.4041 ( 12252 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0655 -14.0655 -13.5205 -13.5205 -13.2821 -13.2821 -12.8196 -12.8196 -6.7310 -6.7310 -6.3705 -6.3705 -6.0631 -6.0631 -5.8332 -5.8332 -5.7349 -5.7349 -5.2809 -5.2809 -5.2116 -5.2116 -4.6700 -4.6700 -4.0872 -4.0872 -2.7900 -2.7900 -1.4576 -1.4576 -0.8520 -0.8520 5.2576 5.2576 5.6268 5.6268 6.5305 6.5305 6.5967 6.5967 k = 0.3207-0.4983 0.4041 ( 12252 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0655 -14.0655 -13.5205 -13.5205 -13.2821 -13.2821 -12.8196 -12.8196 -6.7310 -6.7310 -6.3705 -6.3705 -6.0631 -6.0631 -5.8332 -5.8332 -5.7349 -5.7349 -5.2809 -5.2809 -5.2116 -5.2116 -4.6700 -4.6700 -4.0872 -4.0872 -2.7900 -2.7900 -1.4576 -1.4576 -0.8520 -0.8520 5.2576 5.2576 5.6268 5.6268 6.5305 6.5305 6.5967 6.5967 k = 0.3319-0.4814 0.3985 ( 12261 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0654 -14.0654 -13.5215 -13.5215 -13.2794 -13.2794 -12.8215 -12.8215 -6.7288 -6.7288 -6.3728 -6.3728 -6.0635 -6.0635 -5.8338 -5.8338 -5.7347 -5.7347 -5.2793 -5.2793 -5.2123 -5.2123 -4.6718 -4.6718 -4.0840 -4.0840 -2.7932 -2.7932 -1.4520 -1.4520 -0.8576 -0.8576 5.2784 5.2784 5.6142 5.6142 6.4881 6.4881 6.6330 6.6330 k = 0.3431-0.4645 0.3929 ( 12252 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0656 -14.0656 -13.5224 -13.5224 -13.2763 -13.2763 -12.8237 -12.8237 -6.7265 -6.7265 -6.3752 -6.3752 -6.0644 -6.0644 -5.8343 -5.8343 -5.7346 -5.7346 -5.2775 -5.2775 -5.2128 -5.2128 -4.6737 -4.6737 -4.0810 -4.0810 -2.7963 -2.7963 -1.4466 -1.4466 -0.8625 -0.8625 5.2982 5.2982 5.6019 5.6019 6.4389 6.4389 6.6785 6.6785 k = 0.3543-0.4476 0.3874 ( 12254 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0661 -14.0661 -13.5233 -13.5233 -13.2727 -13.2727 -12.8260 -12.8260 -6.7242 -6.7242 -6.3775 -6.3775 -6.0655 -6.0655 -5.8347 -5.8347 -5.7346 -5.7346 -5.2755 -5.2755 -5.2131 -5.2131 -4.6758 -4.6758 -4.0782 -4.0782 -2.7992 -2.7992 -1.4413 -1.4413 -0.8666 -0.8666 5.3173 5.3173 5.5901 5.5901 6.3891 6.3891 6.7265 6.7265 k = 0.3655-0.4306 0.3818 ( 12260 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0667 -14.0667 -13.5241 -13.5241 -13.2687 -13.2687 -12.8284 -12.8284 -6.7219 -6.7219 -6.3799 -6.3799 -6.0670 -6.0670 -5.8350 -5.8350 -5.7347 -5.7347 -5.2735 -5.2735 -5.2134 -5.2134 -4.6779 -4.6779 -4.0756 -4.0756 -2.8020 -2.8020 -1.4365 -1.4365 -0.8699 -0.8699 5.3357 5.3357 5.5789 5.5789 6.3399 6.3399 6.7759 6.7759 k = 0.3767-0.4137 0.3762 ( 12256 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0675 -14.0675 -13.5250 -13.5250 -13.2645 -13.2645 -12.8310 -12.8310 -6.7196 -6.7196 -6.3822 -6.3822 -6.0686 -6.0686 -5.8354 -5.8354 -5.7348 -5.7348 -5.2713 -5.2713 -5.2136 -5.2136 -4.6801 -4.6801 -4.0732 -4.0732 -2.8045 -2.8045 -1.4320 -1.4320 -0.8725 -0.8725 5.3533 5.3533 5.5686 5.5686 6.2920 6.2920 6.8258 6.8258 k = 0.3879-0.3968 0.3707 ( 12263 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0684 -14.0684 -13.5258 -13.5258 -13.2602 -13.2602 -12.8336 -12.8336 -6.7173 -6.7173 -6.3845 -6.3845 -6.0703 -6.0703 -5.8358 -5.8358 -5.7351 -5.7351 -5.2691 -5.2691 -5.2136 -5.2136 -4.6823 -4.6823 -4.0710 -4.0710 -2.8069 -2.8069 -1.4280 -1.4280 -0.8744 -0.8744 5.3701 5.3701 5.5594 5.5594 6.2457 6.2457 6.8756 6.8756 k = 0.3991-0.3799 0.3651 ( 12262 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0693 -14.0693 -13.5266 -13.5266 -13.2557 -13.2557 -12.8362 -12.8362 -6.7151 -6.7151 -6.3867 -6.3867 -6.0720 -6.0720 -5.8363 -5.8363 -5.7354 -5.7354 -5.2668 -5.2668 -5.2137 -5.2137 -4.6845 -4.6845 -4.0690 -4.0690 -2.8090 -2.8090 -1.4244 -1.4244 -0.8756 -0.8756 5.3862 5.3862 5.5514 5.5514 6.2013 6.2013 6.9246 6.9246 k = 0.4103-0.3630 0.3595 ( 12268 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0702 -14.0702 -13.5273 -13.5273 -13.2514 -13.2514 -12.8388 -12.8388 -6.7131 -6.7131 -6.3888 -6.3888 -6.0736 -6.0736 -5.8368 -5.8368 -5.7357 -5.7357 -5.2646 -5.2646 -5.2136 -5.2136 -4.6865 -4.6865 -4.0672 -4.0672 -2.8109 -2.8109 -1.4214 -1.4214 -0.8764 -0.8764 5.4012 5.4012 5.5449 5.5449 6.1592 6.1592 6.9719 6.9719 k = 0.4215-0.3461 0.3540 ( 12279 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0711 -14.0711 -13.5280 -13.5280 -13.2472 -13.2472 -12.8413 -12.8413 -6.7112 -6.7112 -6.3907 -6.3907 -6.0752 -6.0752 -5.8373 -5.8373 -5.7360 -5.7360 -5.2624 -5.2624 -5.2136 -5.2136 -4.6885 -4.6885 -4.0657 -4.0657 -2.8126 -2.8126 -1.4188 -1.4188 -0.8767 -0.8767 5.4149 5.4149 5.5401 5.5401 6.1198 6.1198 7.0164 7.0164 k = 0.4327-0.3291 0.3484 ( 12282 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0720 -14.0720 -13.5286 -13.5286 -13.2432 -13.2432 -12.8436 -12.8436 -6.7095 -6.7095 -6.3924 -6.3924 -6.0766 -6.0766 -5.8378 -5.8378 -5.7363 -5.7363 -5.2604 -5.2604 -5.2135 -5.2135 -4.6902 -4.6902 -4.0643 -4.0643 -2.8141 -2.8141 -1.4166 -1.4166 -0.8767 -0.8767 5.4269 5.4269 5.5373 5.5373 6.0836 6.0836 7.0537 7.0537 k = 0.4440-0.3122 0.3429 ( 12286 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0728 -14.0728 -13.5292 -13.5292 -13.2397 -13.2397 -12.8457 -12.8457 -6.7079 -6.7079 -6.3940 -6.3940 -6.0779 -6.0779 -5.8383 -5.8383 -5.7365 -5.7365 -5.2586 -5.2586 -5.2134 -5.2134 -4.6918 -4.6918 -4.0632 -4.0632 -2.8153 -2.8153 -1.4149 -1.4149 -0.8764 -0.8764 5.4367 5.4367 5.5367 5.5367 6.0512 6.0512 7.0720 7.0720 k = 0.4552-0.2953 0.3373 ( 12283 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0735 -14.0735 -13.5297 -13.5297 -13.2366 -13.2366 -12.8475 -12.8475 -6.7067 -6.7067 -6.3953 -6.3953 -6.0790 -6.0790 -5.8387 -5.8387 -5.7368 -5.7368 -5.2571 -5.2571 -5.2133 -5.2133 -4.6932 -4.6932 -4.0622 -4.0622 -2.8163 -2.8163 -1.4136 -1.4136 -0.8761 -0.8761 5.4441 5.4441 5.5381 5.5381 6.0230 6.0230 7.0817 7.0817 k = 0.4664-0.2784 0.3317 ( 12281 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0740 -14.0740 -13.5301 -13.5301 -13.2342 -13.2342 -12.8489 -12.8489 -6.7056 -6.7056 -6.3963 -6.3963 -6.0798 -6.0798 -5.8391 -5.8391 -5.7370 -5.7370 -5.2558 -5.2558 -5.2132 -5.2132 -4.6943 -4.6943 -4.0615 -4.0615 -2.8171 -2.8171 -1.4126 -1.4126 -0.8757 -0.8757 5.4492 5.4492 5.5408 5.5408 5.9999 5.9999 7.0887 7.0887 k = 0.4776-0.2615 0.3262 ( 12289 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0744 -14.0744 -13.5303 -13.5303 -13.2324 -13.2324 -12.8500 -12.8500 -6.7049 -6.7049 -6.3971 -6.3971 -6.0804 -6.0804 -5.8394 -5.8394 -5.7371 -5.7371 -5.2549 -5.2549 -5.2132 -5.2132 -4.6951 -4.6951 -4.0610 -4.0610 -2.8177 -2.8177 -1.4119 -1.4119 -0.8754 -0.8754 5.4522 5.4522 5.5440 5.5440 5.9827 5.9827 7.0936 7.0936 k = 0.4888-0.2445 0.3206 ( 12282 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0747 -14.0747 -13.5305 -13.5305 -13.2312 -13.2312 -12.8506 -12.8506 -6.7044 -6.7044 -6.3975 -6.3975 -6.0808 -6.0808 -5.8396 -5.8396 -5.7372 -5.7372 -5.2543 -5.2543 -5.2131 -5.2131 -4.6955 -4.6955 -4.0606 -4.0606 -2.8180 -2.8180 -1.4115 -1.4115 -0.8752 -0.8752 5.4539 5.4539 5.5464 5.5464 5.9720 5.9720 7.0965 7.0965 k = 0.5000-0.2276 0.3150 ( 12290 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0747 -14.0747 -13.5306 -13.5306 -13.2309 -13.2309 -12.8509 -12.8509 -6.7043 -6.7043 -6.3977 -6.3977 -6.0810 -6.0810 -5.8396 -5.8396 -5.7372 -5.7372 -5.2541 -5.2541 -5.2131 -5.2131 -4.6957 -4.6957 -4.0605 -4.0605 -2.8181 -2.8181 -1.4114 -1.4114 -0.8751 -0.8751 5.4544 5.4544 5.5474 5.5474 5.9683 5.9683 7.0975 7.0975 k = 0.5000-0.2276 0.3150 ( 12290 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0747 -14.0747 -13.5306 -13.5306 -13.2309 -13.2309 -12.8509 -12.8509 -6.7043 -6.7043 -6.3977 -6.3977 -6.0810 -6.0810 -5.8396 -5.8396 -5.7372 -5.7372 -5.2541 -5.2541 -5.2131 -5.2131 -4.6957 -4.6957 -4.0605 -4.0605 -2.8181 -2.8181 -1.4114 -1.4114 -0.8751 -0.8751 5.4544 5.4544 5.5474 5.5474 5.9683 5.9683 7.0975 7.0975 k = 0.4934-0.2174 0.3329 ( 12284 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.0742 -14.0742 -13.5302 -13.5302 -13.2308 -13.2308 -12.8513 -12.8513 -6.7049 -6.7049 -6.3994 -6.3994 -6.0807 -6.0807 -5.8546 -5.8546 -5.7228 -5.7228 -5.2529 -5.2529 -5.2152 -5.2152 -4.6962 -4.6962 -4.0584 -4.0584 -2.8175 -2.8175 -1.4110 -1.4110 -0.8751 -0.8751 5.4555 5.4555 5.5484 5.5484 5.9704 5.9704 7.0978 7.0978 k = 0.4868-0.2072 0.3507 ( 12282 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.0725 -14.0725 -13.5293 -13.5293 -13.2305 -13.2305 -12.8525 -12.8525 -6.7069 -6.7069 -6.4046 -6.4046 -6.0801 -6.0801 -5.8871 -5.8871 -5.6921 -5.6921 -5.2492 -5.2492 -5.2215 -5.2215 -4.6977 -4.6977 -4.0523 -4.0523 -2.8158 -2.8158 -1.4098 -1.4098 -0.8751 -0.8751 5.4591 5.4591 5.5515 5.5515 5.9766 5.9766 7.0987 7.0987 k = 0.4803-0.1970 0.3685 ( 12292 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.0697 -14.0697 -13.5277 -13.5277 -13.2300 -13.2300 -12.8546 -12.8546 -6.7101 -6.7101 -6.4132 -6.4132 -6.0790 -6.0790 -5.9255 -5.9255 -5.6566 -5.6566 -5.2432 -5.2432 -5.2317 -5.2317 -4.7001 -4.7001 -4.0421 -4.0421 -2.8129 -2.8129 -1.4079 -1.4079 -0.8751 -0.8751 5.4648 5.4648 5.5567 5.5567 5.9868 5.9868 7.1002 7.1002 k = 0.4737-0.1867 0.3863 ( 12286 PWs) bands (ev): -98.4148 -98.4148 -98.3976 -98.3976 -14.0658 -14.0658 -13.5255 -13.5255 -13.2294 -13.2294 -12.8575 -12.8575 -6.7145 -6.7145 -6.4249 -6.4249 -6.0775 -6.0775 -5.9663 -5.9663 -5.6198 -5.6198 -5.2460 -5.2460 -5.2345 -5.2345 -4.7036 -4.7036 -4.0282 -4.0282 -2.8089 -2.8089 -1.4051 -1.4051 -0.8751 -0.8751 5.4728 5.4728 5.5639 5.5639 6.0012 6.0012 7.1026 7.1026 k = 0.4671-0.1765 0.4042 ( 12278 PWs) bands (ev): -98.4147 -98.4147 -98.3976 -98.3976 -14.0608 -14.0608 -13.5226 -13.5226 -13.2285 -13.2285 -12.8612 -12.8612 -6.7200 -6.7200 -6.4397 -6.4397 -6.0758 -6.0758 -6.0083 -6.0083 -5.5829 -5.5829 -5.2631 -5.2631 -5.2243 -5.2243 -4.7080 -4.7080 -4.0109 -4.0109 -2.8040 -2.8040 -1.4017 -1.4017 -0.8752 -0.8752 5.4827 5.4827 5.5731 5.5731 6.0195 6.0195 7.1060 7.1060 k = 0.4605-0.1663 0.4220 ( 12274 PWs) bands (ev): -98.4147 -98.4147 -98.3977 -98.3977 -14.0548 -14.0548 -13.5191 -13.5191 -13.2276 -13.2276 -12.8658 -12.8658 -6.7266 -6.7266 -6.4571 -6.4571 -6.0739 -6.0739 -6.0511 -6.0511 -5.5463 -5.5463 -5.2832 -5.2832 -5.2121 -5.2121 -4.7134 -4.7134 -3.9905 -3.9905 -2.7982 -2.7982 -1.3974 -1.3974 -0.8752 -0.8752 5.4945 5.4945 5.5843 5.5843 6.0419 6.0419 7.1105 7.1105 k = 0.4539-0.1561 0.4398 ( 12268 PWs) bands (ev): -98.4146 -98.4146 -98.3978 -98.3978 -14.0476 -14.0476 -13.5151 -13.5151 -13.2264 -13.2264 -12.8712 -12.8712 -6.7341 -6.7341 -6.4770 -6.4770 -6.0944 -6.0944 -6.0720 -6.0720 -5.5102 -5.5102 -5.3057 -5.3057 -5.1984 -5.1984 -4.7198 -4.7198 -3.9674 -3.9674 -2.7916 -2.7916 -1.3925 -1.3925 -0.8753 -0.8753 5.5078 5.5078 5.5975 5.5975 6.0682 6.0682 7.1154 7.1154 k = 0.4474-0.1458 0.4577 ( 12266 PWs) bands (ev): -98.4145 -98.4145 -98.3979 -98.3979 -14.0394 -14.0394 -13.5104 -13.5104 -13.2252 -13.2252 -12.8774 -12.8774 -6.7423 -6.7423 -6.4990 -6.4990 -6.1380 -6.1380 -6.0702 -6.0702 -5.4748 -5.4748 -5.3300 -5.3300 -5.1833 -5.1833 -4.7272 -4.7272 -3.9418 -3.9418 -2.7845 -2.7845 -1.3868 -1.3868 -0.8755 -0.8755 5.5225 5.5225 5.6126 5.6126 6.0983 6.0983 7.0945 7.0945 k = 0.4408-0.1356 0.4755 ( 12268 PWs) bands (ev): -98.4143 -98.4143 -98.3980 -98.3980 -14.0301 -14.0301 -13.5052 -13.5052 -13.2238 -13.2238 -12.8845 -12.8845 -6.7512 -6.7512 -6.5229 -6.5229 -6.1818 -6.1818 -6.0687 -6.0687 -5.4401 -5.4401 -5.3556 -5.3556 -5.1672 -5.1672 -4.7354 -4.7354 -3.9141 -3.9141 -2.7768 -2.7768 -1.3805 -1.3805 -0.8758 -0.8758 5.5383 5.5383 5.6297 5.6297 6.1321 6.1321 7.0728 7.0728 k = 0.4342-0.1254 0.4933 ( 12274 PWs) bands (ev): -98.4142 -98.4142 -98.3982 -98.3982 -14.0197 -14.0197 -13.4995 -13.4995 -13.2223 -13.2223 -12.8924 -12.8924 -6.7605 -6.7605 -6.5483 -6.5483 -6.2255 -6.2255 -6.0678 -6.0678 -5.4062 -5.4062 -5.3820 -5.3820 -5.1501 -5.1501 -4.7447 -4.7447 -3.8847 -3.8847 -2.7688 -2.7688 -1.3734 -1.3734 -0.8762 -0.8762 5.5550 5.5550 5.6486 5.6486 6.1695 6.1695 7.0508 7.0508 k = 0.4276-0.1152 0.5111 ( 12262 PWs) bands (ev): -98.4140 -98.4140 -98.3983 -98.3983 -14.0084 -14.0084 -13.4932 -13.4932 -13.2208 -13.2208 -12.9012 -12.9012 -6.7702 -6.7702 -6.5750 -6.5750 -6.2692 -6.2692 -6.0677 -6.0677 -5.4085 -5.4085 -5.3731 -5.3731 -5.1325 -5.1325 -4.7549 -4.7549 -3.8537 -3.8537 -2.7607 -2.7607 -1.3658 -1.3658 -0.8767 -0.8767 5.5721 5.5721 5.6695 5.6695 6.2102 6.2102 7.0292 7.0292 k = 0.4211-0.1049 0.5290 ( 12264 PWs) bands (ev): -98.4139 -98.4139 -98.3985 -98.3985 -13.9960 -13.9960 -13.4865 -13.4865 -13.2192 -13.2192 -12.9108 -12.9108 -6.7801 -6.7801 -6.6026 -6.6026 -6.3128 -6.3128 -6.0689 -6.0689 -5.4346 -5.4346 -5.3409 -5.3409 -5.1145 -5.1145 -4.7659 -4.7659 -3.8215 -3.8215 -2.7527 -2.7527 -1.3575 -1.3575 -0.8775 -0.8775 5.5896 5.5896 5.6921 5.6921 6.2541 6.2541 7.0084 7.0084 k = 0.4145-0.0947 0.5468 ( 12266 PWs) bands (ev): -98.4137 -98.4137 -98.3987 -98.3987 -13.9826 -13.9826 -13.4792 -13.4792 -13.2176 -13.2176 -12.9213 -12.9213 -6.7900 -6.7900 -6.6310 -6.6310 -6.3560 -6.3560 -6.0715 -6.0715 -5.4596 -5.4596 -5.3096 -5.3096 -5.0962 -5.0962 -4.7779 -4.7779 -3.7882 -3.7882 -2.7448 -2.7448 -1.3486 -1.3486 -0.8784 -0.8784 5.6072 5.6072 5.7167 5.7167 6.3008 6.3008 6.9889 6.9889 k = 0.4079-0.0845 0.5646 ( 12270 PWs) bands (ev): -98.4135 -98.4135 -98.3989 -98.3989 -13.9683 -13.9683 -13.4716 -13.4716 -13.2160 -13.2160 -12.9327 -12.9327 -6.7997 -6.7997 -6.6599 -6.6599 -6.3988 -6.3988 -6.0761 -6.0761 -5.4829 -5.4829 -5.2792 -5.2792 -5.0778 -5.0778 -4.7907 -4.7907 -3.7540 -3.7540 -2.7373 -2.7373 -1.3391 -1.3391 -0.8795 -0.8795 5.6246 5.6246 5.7431 5.7431 6.3501 6.3501 6.9711 6.9711 k = 0.4013-0.0743 0.5825 ( 12266 PWs) bands (ev): -98.4133 -98.4133 -98.3991 -98.3991 -13.9531 -13.9531 -13.4635 -13.4635 -13.2145 -13.2145 -12.9449 -12.9449 -6.8092 -6.8092 -6.6891 -6.6891 -6.4411 -6.4411 -6.0831 -6.0831 -5.5039 -5.5039 -5.2497 -5.2497 -5.0596 -5.0596 -4.8045 -4.8045 -3.7191 -3.7191 -2.7304 -2.7304 -1.3292 -1.3292 -0.8809 -0.8809 5.6418 5.6418 5.7714 5.7714 6.4015 6.4015 6.9552 6.9552 k = 0.3947-0.0640 0.6003 ( 12266 PWs) bands (ev): -98.4131 -98.4131 -98.3993 -98.3993 -13.9369 -13.9369 -13.4551 -13.4551 -13.2130 -13.2130 -12.9579 -12.9579 -6.8182 -6.8182 -6.7182 -6.7182 -6.4829 -6.4829 -6.0927 -6.0927 -5.5221 -5.5221 -5.2212 -5.2212 -5.0416 -5.0416 -4.8190 -4.8190 -3.6837 -3.6837 -2.7241 -2.7241 -1.3187 -1.3187 -0.8827 -0.8827 5.6586 5.6586 5.8015 5.8015 6.4546 6.4546 6.9415 6.9415 k = 0.3882-0.0538 0.6181 ( 12266 PWs) bands (ev): -98.4129 -98.4129 -98.3995 -98.3995 -13.9198 -13.9198 -13.4463 -13.4463 -13.2116 -13.2116 -12.9718 -12.9718 -6.8266 -6.8266 -6.7472 -6.7472 -6.5239 -6.5239 -6.1053 -6.1053 -5.5371 -5.5371 -5.1936 -5.1936 -5.0239 -5.0239 -4.8343 -4.8343 -3.6478 -3.6478 -2.7188 -2.7188 -1.3078 -1.3078 -0.8847 -0.8847 5.6750 5.6750 5.8335 5.8335 6.5090 6.5090 6.9301 6.9301 k = 0.3816-0.0436 0.6360 ( 12278 PWs) bands (ev): -98.4126 -98.4126 -98.3998 -98.3998 -13.9019 -13.9019 -13.4372 -13.4372 -13.2103 -13.2103 -12.9866 -12.9866 -6.8342 -6.8342 -6.7758 -6.7758 -6.5642 -6.5642 -6.1210 -6.1210 -5.5485 -5.5485 -5.1670 -5.1670 -5.0067 -5.0067 -4.8504 -4.8504 -3.6116 -3.6116 -2.7144 -2.7144 -1.2964 -1.2964 -0.8871 -0.8871 5.6909 5.6909 5.8675 5.8675 6.5640 6.5640 6.9210 6.9210 k = 0.3750-0.0334 0.6538 ( 12276 PWs) bands (ev): -98.4124 -98.4124 -98.4000 -98.4000 -13.8832 -13.8832 -13.4278 -13.4278 -13.2092 -13.2092 -13.0022 -13.0022 -6.8409 -6.8409 -6.8039 -6.8039 -6.6035 -6.6035 -6.1399 -6.1399 -5.5561 -5.5561 -5.1413 -5.1413 -4.9901 -4.9901 -4.8673 -4.8673 -3.5752 -3.5752 -2.7112 -2.7112 -1.2847 -1.2847 -0.8899 -0.8899 5.7065 5.7065 5.9034 5.9034 6.6191 6.6191 6.9142 6.9142 k = 0.3684-0.0232 0.6716 ( 12270 PWs) bands (ev): -98.4121 -98.4121 -98.4003 -98.4003 -13.8636 -13.8636 -13.4182 -13.4182 -13.2083 -13.2083 -13.0185 -13.0185 -6.8467 -6.8467 -6.8312 -6.8312 -6.6418 -6.6418 -6.1617 -6.1617 -5.5601 -5.5601 -5.1167 -5.1167 -4.9742 -4.9742 -4.8849 -4.8849 -3.5387 -3.5387 -2.7092 -2.7092 -1.2725 -1.2725 -0.8930 -0.8930 5.7219 5.7219 5.9413 5.9413 6.6735 6.6735 6.9096 6.9096 k = 0.3618-0.0129 0.6894 ( 12264 PWs) bands (ev): -98.4118 -98.4118 -98.4005 -98.4005 -13.8433 -13.8433 -13.4085 -13.4085 -13.2076 -13.2076 -13.0357 -13.0357 -6.8577 -6.8577 -6.8513 -6.8513 -6.6790 -6.6790 -6.1862 -6.1862 -5.5606 -5.5606 -5.0930 -5.0930 -4.9590 -4.9590 -4.9032 -4.9032 -3.5021 -3.5021 -2.7086 -2.7086 -1.2601 -1.2601 -0.8966 -0.8966 5.7371 5.7371 5.9812 5.9812 6.7262 6.7262 6.9070 6.9070 k = 0.3553-0.0027 0.7073 ( 12258 PWs) bands (ev): -98.4116 -98.4116 -98.4008 -98.4008 -13.8223 -13.8223 -13.3985 -13.3985 -13.2071 -13.2071 -13.0537 -13.0537 -6.8831 -6.8831 -6.8547 -6.8547 -6.7150 -6.7150 -6.2132 -6.2132 -5.5578 -5.5578 -5.0704 -5.0704 -4.9446 -4.9446 -4.9221 -4.9221 -3.4656 -3.4656 -2.7094 -2.7094 -1.2473 -1.2473 -0.9007 -0.9007 5.7525 5.7525 6.0231 6.0231 6.7756 6.7756 6.9067 6.9067 k = 0.3487 0.0075 0.7251 ( 12252 PWs) bands (ev): -98.4113 -98.4113 -98.4011 -98.4011 -13.8006 -13.8006 -13.3885 -13.3885 -13.2070 -13.2070 -13.0725 -13.0725 -6.9073 -6.9073 -6.8568 -6.8568 -6.7498 -6.7498 -6.2420 -6.2420 -5.5521 -5.5521 -5.0488 -5.0488 -4.9418 -4.9418 -4.9310 -4.9310 -3.4291 -3.4291 -2.7117 -2.7117 -1.2343 -1.2343 -0.9053 -0.9053 5.7684 5.7684 6.0672 6.0672 6.8185 6.8185 6.9102 6.9102 k = 0.3421 0.0177 0.7429 ( 12252 PWs) bands (ev): -98.4110 -98.4110 -98.4014 -98.4014 -13.7783 -13.7783 -13.3784 -13.3784 -13.2071 -13.2071 -13.0920 -13.0920 -6.9302 -6.9302 -6.8575 -6.8575 -6.7831 -6.7831 -6.2724 -6.2724 -5.5437 -5.5437 -5.0283 -5.0283 -4.9619 -4.9619 -4.9184 -4.9184 -3.3928 -3.3928 -2.7156 -2.7156 -1.2211 -1.2211 -0.9103 -0.9103 5.7848 5.7848 6.1133 6.1133 6.8470 6.8470 6.9233 6.9233 k = 0.3355 0.0280 0.7608 ( 12256 PWs) bands (ev): -98.4107 -98.4107 -98.4017 -98.4017 -13.7554 -13.7554 -13.3683 -13.3683 -13.2076 -13.2076 -13.1122 -13.1122 -6.9517 -6.9517 -6.8566 -6.8566 -6.8150 -6.8150 -6.3040 -6.3040 -5.5330 -5.5330 -5.0088 -5.0088 -4.9826 -4.9826 -4.9068 -4.9068 -3.3568 -3.3568 -2.7212 -2.7212 -1.2077 -1.2077 -0.9159 -0.9159 5.8023 5.8023 6.1615 6.1615 6.8541 6.8541 6.9502 6.9502 k = 0.3289 0.0382 0.7786 ( 12258 PWs) bands (ev): -98.4103 -98.4103 -98.4020 -98.4020 -13.7319 -13.7319 -13.3583 -13.3583 -13.2085 -13.2085 -13.1332 -13.1332 -6.9717 -6.9717 -6.8543 -6.8543 -6.8452 -6.8452 -6.3363 -6.3363 -5.5202 -5.5202 -5.0038 -5.0038 -4.9903 -4.9903 -4.8961 -4.8961 -3.3211 -3.3211 -2.7284 -2.7284 -1.1942 -1.1942 -0.9220 -0.9220 5.8209 5.8209 6.2117 6.2117 6.8445 6.8445 6.9830 6.9830 k = 0.3224 0.0484 0.7964 ( 12260 PWs) bands (ev): -98.4100 -98.4100 -98.4023 -98.4023 -13.7079 -13.7079 -13.3482 -13.3482 -13.2097 -13.2097 -13.1548 -13.1548 -6.9900 -6.9900 -6.8739 -6.8739 -6.8502 -6.8502 -6.3690 -6.3690 -5.5057 -5.5057 -5.0255 -5.0255 -4.9730 -4.9730 -4.8865 -4.8865 -3.2858 -3.2858 -2.7373 -2.7373 -1.1806 -1.1806 -0.9286 -0.9286 5.8411 5.8411 6.2641 6.2641 6.8217 6.8217 7.0146 7.0146 k = 0.3158 0.0586 0.8142 ( 12264 PWs) bands (ev): -98.4097 -98.4097 -98.4027 -98.4027 -13.6835 -13.6835 -13.3383 -13.3383 -13.2114 -13.2114 -13.1770 -13.1770 -7.0065 -7.0065 -6.9008 -6.9008 -6.8446 -6.8446 -6.4019 -6.4019 -5.4897 -5.4897 -5.0476 -5.0476 -4.9567 -4.9567 -4.8781 -4.8781 -3.2508 -3.2508 -2.7479 -2.7479 -1.1669 -1.1669 -0.9357 -0.9357 5.8631 5.8631 6.3185 6.3185 6.7866 6.7866 7.0423 7.0423 k = 0.3092 0.0689 0.8321 ( 12254 PWs) bands (ev): -98.4094 -98.4094 -98.4030 -98.4030 -13.6586 -13.6586 -13.3286 -13.3286 -13.2135 -13.2135 -13.1998 -13.1998 -7.0212 -7.0212 -6.9259 -6.9259 -6.8372 -6.8372 -6.4346 -6.4346 -5.4724 -5.4724 -5.0700 -5.0700 -4.9416 -4.9416 -4.8707 -4.8707 -3.2164 -3.2164 -2.7601 -2.7601 -1.1532 -1.1532 -0.9434 -0.9434 5.8870 5.8870 6.3750 6.3750 6.7405 6.7405 7.0653 7.0653 k = 0.3026 0.0791 0.8499 ( 12256 PWs) bands (ev): -98.4090 -98.4090 -98.4033 -98.4033 -13.6334 -13.6334 -13.3190 -13.3190 -13.2232 -13.2232 -13.2160 -13.2160 -7.0340 -7.0340 -6.9491 -6.9491 -6.8282 -6.8282 -6.4670 -6.4670 -5.4539 -5.4539 -5.0928 -5.0928 -4.9275 -4.9275 -4.8645 -4.8645 -3.1826 -3.1826 -2.7741 -2.7741 -1.1394 -1.1394 -0.9516 -0.9516 5.9132 5.9132 6.4334 6.4334 6.6862 6.6862 7.0838 7.0838 k = 0.2961 0.0893 0.8677 ( 12260 PWs) bands (ev): -98.4087 -98.4087 -98.4037 -98.4037 -13.6078 -13.6078 -13.3097 -13.3097 -13.2471 -13.2471 -13.2190 -13.2190 -7.0448 -7.0448 -6.9704 -6.9704 -6.8174 -6.8174 -6.4989 -6.4989 -5.4345 -5.4345 -5.1159 -5.1159 -4.9147 -4.9147 -4.8594 -4.8594 -3.1494 -3.1494 -2.7896 -2.7896 -1.1258 -1.1258 -0.9604 -0.9604 5.9419 5.9419 6.4937 6.4937 6.6271 6.6271 7.0989 7.0989 k = 0.2895 0.0995 0.8856 ( 12254 PWs) bands (ev): -98.4083 -98.4083 -98.4040 -98.4040 -13.5820 -13.5820 -13.3006 -13.3006 -13.2714 -13.2714 -13.2225 -13.2225 -7.0536 -7.0536 -6.9897 -6.9897 -6.8048 -6.8048 -6.5300 -6.5300 -5.4141 -5.4141 -5.1391 -5.1391 -4.9029 -4.9029 -4.8555 -4.8555 -3.1169 -3.1169 -2.8068 -2.8068 -1.1122 -1.1122 -0.9696 -0.9696 5.9731 5.9731 6.5559 6.5559 6.5658 6.5658 7.1120 7.1120 k = 0.2829 0.1098 0.9034 ( 12248 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5560 -13.5560 -13.2962 -13.2962 -13.2919 -13.2919 -13.2265 -13.2265 -7.0603 -7.0603 -7.0070 -7.0070 -6.7905 -6.7905 -6.5603 -6.5603 -5.3931 -5.3931 -5.1626 -5.1626 -4.8924 -4.8924 -4.8528 -4.8528 -3.0852 -3.0852 -2.8255 -2.8255 -1.0988 -1.0988 -0.9794 -0.9794 6.0071 6.0071 6.5041 6.5041 6.6197 6.6197 7.1242 7.1242 k = 0.2763 0.1200 0.9212 ( 12240 PWs) bands (ev): -98.4076 -98.4076 -98.4047 -98.4047 -13.5299 -13.5299 -13.3213 -13.3213 -13.2834 -13.2834 -13.2309 -13.2309 -7.0649 -7.0649 -7.0222 -7.0222 -6.7745 -6.7745 -6.5895 -6.5895 -5.3714 -5.3714 -5.1862 -5.1862 -4.8830 -4.8830 -4.8513 -4.8513 -3.0543 -3.0543 -2.8457 -2.8457 -1.0855 -1.0855 -0.9896 -0.9896 6.0439 6.0439 6.4433 6.4433 6.6852 6.6852 7.1358 7.1358 k = 0.2697 0.1302 0.9390 ( 12248 PWs) bands (ev): -98.4073 -98.4073 -98.4051 -98.4051 -13.5036 -13.5036 -13.3468 -13.3468 -13.2754 -13.2754 -13.2359 -13.2359 -7.0672 -7.0672 -7.0352 -7.0352 -6.7568 -6.7568 -6.6176 -6.6176 -5.3492 -5.3492 -5.2098 -5.2098 -4.8748 -4.8748 -4.8510 -4.8510 -3.0243 -3.0243 -2.8674 -2.8674 -1.0724 -1.0724 -1.0003 -1.0003 6.0837 6.0837 6.3841 6.3841 6.7521 6.7521 7.1470 7.1470 k = 0.2632 0.1404 0.9569 ( 12246 PWs) bands (ev): -98.4069 -98.4069 -98.4055 -98.4055 -13.4773 -13.4773 -13.3726 -13.3726 -13.2677 -13.2677 -13.2413 -13.2413 -7.0674 -7.0674 -7.0460 -7.0460 -6.7375 -6.7375 -6.6444 -6.6444 -5.3266 -5.3266 -5.2334 -5.2334 -4.8678 -4.8678 -4.8519 -4.8519 -2.9953 -2.9953 -2.8904 -2.8904 -1.0596 -1.0596 -1.0114 -1.0114 6.1265 6.1265 6.3271 6.3271 6.8202 6.8202 7.1008 7.1008 k = 0.2566 0.1507 0.9747 ( 12256 PWs) bands (ev): -98.4065 -98.4065 -98.4058 -98.4058 -13.4509 -13.4509 -13.3985 -13.3985 -13.2604 -13.2604 -13.2472 -13.2472 -7.0654 -7.0654 -7.0547 -7.0547 -6.7165 -6.7165 -6.6699 -6.6699 -5.3037 -5.3037 -5.2570 -5.2570 -4.8620 -4.8620 -4.8541 -4.8541 -2.9673 -2.9673 -2.9148 -2.9148 -1.0470 -1.0470 -1.0229 -1.0229 6.1723 6.1723 6.2727 6.2727 6.8895 6.8895 7.0301 7.0301 k = 0.2500 0.1609 0.9925 ( 12256 PWs) bands (ev): -98.4062 -98.4062 -98.4062 -98.4062 -13.4247 -13.4247 -13.4247 -13.4247 -13.2536 -13.2536 -13.2536 -13.2536 -7.0612 -7.0612 -7.0612 -7.0612 -6.6939 -6.6939 -6.6939 -6.6939 -5.2804 -5.2804 -5.2804 -5.2804 -4.8574 -4.8574 -4.8574 -4.8574 -2.9405 -2.9405 -2.9405 -2.9405 -1.0348 -1.0348 -1.0348 -1.0348 6.2210 6.2210 6.2210 6.2210 6.9595 6.9595 6.9596 6.9596 k = 0.1035-0.1609 0.9925 ( 12269 PWs) bands (ev): -98.4080 -98.4080 -98.4044 -98.4044 -13.5514 -13.5514 -13.3028 -13.3028 -13.2829 -13.2829 -13.2365 -13.2365 -7.0677 -7.0677 -6.9795 -6.9795 -6.7606 -6.7606 -6.5661 -6.5661 -5.3833 -5.3833 -5.1914 -5.1914 -4.9106 -4.9106 -4.8446 -4.8446 -3.0961 -3.0961 -2.8518 -2.8518 -1.1044 -1.1044 -0.9904 -0.9904 6.2229 6.2229 6.3414 6.3414 6.4316 6.4316 7.0944 7.0944 k = 0.1101-0.1711 0.9747 ( 12265 PWs) bands (ev): -98.4083 -98.4083 -98.4040 -98.4040 -13.5771 -13.5771 -13.2917 -13.2917 -13.2773 -13.2773 -13.2337 -13.2337 -7.0596 -7.0596 -6.9624 -6.9624 -6.7761 -6.7761 -6.5367 -6.5367 -5.4038 -5.4038 -5.1658 -5.1658 -4.9201 -4.9201 -4.8501 -4.8501 -3.1280 -3.1280 -2.8308 -2.8308 -1.1206 -1.1206 -0.9802 -0.9802 6.1914 6.1914 6.3043 6.3043 6.4783 6.4783 7.1025 7.1025 k = 0.1167-0.1813 0.9569 ( 12267 PWs) bands (ev): -98.4087 -98.4087 -98.4037 -98.4037 -13.6026 -13.6026 -13.3008 -13.3008 -13.2539 -13.2539 -13.2298 -13.2298 -7.0493 -7.0493 -6.9433 -6.9433 -6.7899 -6.7899 -6.5063 -6.5063 -5.4235 -5.4235 -5.1403 -5.1403 -4.9307 -4.9307 -4.8568 -4.8568 -3.1605 -3.1605 -2.8113 -2.8113 -1.1370 -1.1370 -0.9704 -0.9704 6.1623 6.1623 6.2622 6.2622 6.5306 6.5306 7.1006 7.1006 k = 0.1233-0.1916 0.9390 ( 12263 PWs) bands (ev): -98.4090 -98.4090 -98.4034 -98.4034 -13.6279 -13.6279 -13.3101 -13.3101 -13.2394 -13.2394 -13.2178 -13.2178 -7.0370 -7.0370 -6.9222 -6.9222 -6.8022 -6.8022 -6.4752 -6.4752 -5.4425 -5.4425 -5.1151 -5.1151 -4.9424 -4.9424 -4.8646 -4.8646 -3.1939 -3.1939 -2.7933 -2.7933 -1.1534 -1.1534 -0.9610 -0.9610 6.1358 6.1358 6.2196 6.2196 6.5837 6.5837 7.0896 7.0896 k = 0.1298-0.2018 0.9212 ( 12261 PWs) bands (ev): -98.4094 -98.4094 -98.4030 -98.4030 -13.6528 -13.6528 -13.3197 -13.3197 -13.2355 -13.2355 -13.1963 -13.1963 -7.0228 -7.0228 -6.8993 -6.8993 -6.8128 -6.8128 -6.4435 -6.4435 -5.4605 -5.4605 -5.0900 -5.0900 -4.9553 -4.9553 -4.8734 -4.8734 -3.2278 -3.2278 -2.7770 -2.7770 -1.1697 -1.1697 -0.9519 -0.9519 6.1115 6.1115 6.1774 6.1774 6.6361 6.6361 7.0560 7.0560 k = 0.1364-0.2120 0.9034 ( 12260 PWs) bands (ev): -98.4097 -98.4097 -98.4027 -98.4027 -13.6774 -13.6774 -13.3294 -13.3294 -13.2343 -13.2343 -13.1729 -13.1729 -7.0066 -7.0066 -6.8745 -6.8745 -6.8218 -6.8218 -6.4113 -6.4113 -5.4774 -5.4774 -5.0653 -5.0653 -4.9694 -4.9694 -4.8832 -4.8832 -3.2624 -3.2624 -2.7623 -2.7623 -1.1861 -1.1861 -0.9432 -0.9432 6.0893 6.0893 6.1356 6.1356 6.6869 6.6869 7.0221 7.0221 k = 0.1430-0.2222 0.8855 ( 12257 PWs) bands (ev): -98.4100 -98.4100 -98.4023 -98.4023 -13.7016 -13.7016 -13.3393 -13.3393 -13.2342 -13.2342 -13.1496 -13.1496 -6.9885 -6.9885 -6.8481 -6.8481 -6.8292 -6.8292 -6.3789 -6.3789 -5.4930 -5.4930 -5.0409 -5.0409 -4.9846 -4.9846 -4.8940 -4.8940 -3.2975 -3.2975 -2.7493 -2.7493 -1.2023 -1.2023 -0.9350 -0.9350 6.0691 6.0691 6.0943 6.0943 6.7353 6.7353 6.9866 6.9866 k = 0.1496-0.2325 0.8677 ( 12253 PWs) bands (ev): -98.4103 -98.4103 -98.4020 -98.4020 -13.7254 -13.7254 -13.3492 -13.3492 -13.2345 -13.2345 -13.1266 -13.1266 -6.9688 -6.9688 -6.8350 -6.8350 -6.8199 -6.8199 -6.3466 -6.3466 -5.5072 -5.5072 -5.0169 -5.0169 -5.0009 -5.0009 -4.9057 -4.9057 -3.3330 -3.3330 -2.7379 -2.7379 -1.2183 -1.2183 -0.9271 -0.9271 6.0504 6.0504 6.0535 6.0535 6.7805 6.7805 6.9500 6.9500 k = 0.1562-0.2427 0.8499 ( 12244 PWs) bands (ev): -98.4107 -98.4107 -98.4017 -98.4017 -13.7486 -13.7486 -13.3593 -13.3593 -13.2354 -13.2354 -13.1043 -13.1043 -6.9474 -6.9474 -6.8393 -6.8393 -6.7901 -6.7901 -6.3145 -6.3145 -5.5198 -5.5198 -5.0183 -5.0183 -4.9934 -4.9934 -4.9184 -4.9184 -3.3690 -3.3690 -2.7283 -2.7283 -1.2341 -1.2341 -0.9198 -0.9198 6.0130 6.0130 6.0332 6.0332 6.8219 6.8219 6.9129 6.9129 k = 0.1627-0.2529 0.8320 ( 12248 PWs) bands (ev): -98.4110 -98.4110 -98.4014 -98.4014 -13.7713 -13.7713 -13.3693 -13.3693 -13.2365 -13.2365 -13.0826 -13.0826 -6.9245 -6.9245 -6.8421 -6.8421 -6.7589 -6.7589 -6.2831 -6.2831 -5.5304 -5.5304 -5.0369 -5.0369 -4.9705 -4.9705 -4.9319 -4.9319 -3.4053 -3.4053 -2.7203 -2.7203 -1.2497 -1.2497 -0.9128 -0.9128 5.9727 5.9727 6.0170 6.0170 6.8582 6.8582 6.8763 6.8763 k = 0.1693-0.2631 0.8142 ( 12247 PWs) bands (ev): -98.4113 -98.4113 -98.4011 -98.4011 -13.7935 -13.7935 -13.3794 -13.3794 -13.2380 -13.2380 -13.0617 -13.0617 -6.9001 -6.9001 -6.8434 -6.8434 -6.7261 -6.7261 -6.2526 -6.2526 -5.5388 -5.5388 -5.0565 -5.0565 -4.9498 -4.9498 -4.9444 -4.9444 -3.4419 -3.4419 -2.7141 -2.7141 -1.2650 -1.2650 -0.9063 -0.9063 5.9325 5.9325 6.0014 6.0014 6.8387 6.8387 6.8778 6.8778 k = 0.1759-0.2734 0.7964 ( 12253 PWs) bands (ev): -98.4116 -98.4116 -98.4008 -98.4008 -13.8150 -13.8150 -13.3893 -13.3893 -13.2398 -13.2398 -13.0415 -13.0415 -6.8745 -6.8745 -6.8434 -6.8434 -6.6921 -6.6921 -6.2234 -6.2234 -5.5449 -5.5449 -5.0771 -5.0771 -4.9617 -4.9617 -4.9258 -4.9258 -3.4787 -3.4787 -2.7094 -2.7094 -1.2799 -1.2799 -0.9003 -0.9003 5.8924 5.8924 5.9861 5.9861 6.8032 6.8032 6.8428 6.8428 k = 0.1825-0.2836 0.7785 ( 12246 PWs) bands (ev): -98.4118 -98.4118 -98.4005 -98.4005 -13.8358 -13.8358 -13.3992 -13.3992 -13.2418 -13.2418 -13.0220 -13.0220 -6.8479 -6.8479 -6.8421 -6.8421 -6.6568 -6.6568 -6.1959 -6.1959 -5.5481 -5.5481 -5.0988 -5.0988 -4.9775 -4.9775 -4.9047 -4.9047 -3.5156 -3.5156 -2.7063 -2.7063 -1.2944 -1.2944 -0.8947 -0.8947 5.8521 5.8521 5.9707 5.9707 6.7691 6.7691 6.8092 6.8092 k = 0.1891-0.2938 0.7607 ( 12246 PWs) bands (ev): -98.4121 -98.4121 -98.4003 -98.4003 -13.8559 -13.8559 -13.4089 -13.4089 -13.2441 -13.2441 -13.0034 -13.0034 -6.8398 -6.8398 -6.8199 -6.8199 -6.6203 -6.6203 -6.1705 -6.1705 -5.5484 -5.5484 -5.1216 -5.1216 -4.9939 -4.9939 -4.8843 -4.8843 -3.5527 -3.5527 -2.7048 -2.7048 -1.3084 -1.3084 -0.8895 -0.8895 5.8118 5.8118 5.9548 5.9548 6.7370 6.7370 6.7778 6.7778 k = 0.1956-0.3040 0.7429 ( 12245 PWs) bands (ev): -98.4124 -98.4124 -98.4000 -98.4000 -13.8753 -13.8753 -13.4184 -13.4184 -13.2464 -13.2464 -12.9856 -12.9856 -6.8363 -6.8363 -6.7913 -6.7913 -6.5828 -6.5828 -6.1475 -6.1475 -5.5454 -5.5454 -5.1454 -5.1454 -5.0110 -5.0110 -4.8646 -4.8646 -3.5897 -3.5897 -2.7046 -2.7046 -1.3221 -1.3221 -0.8847 -0.8847 5.7715 5.7715 5.9382 5.9382 6.7071 6.7071 6.7489 6.7489 k = 0.2022-0.3143 0.7251 ( 12242 PWs) bands (ev): -98.4126 -98.4126 -98.3998 -98.3998 -13.8939 -13.8939 -13.4277 -13.4277 -13.2489 -13.2489 -12.9687 -12.9687 -6.8318 -6.8318 -6.7620 -6.7620 -6.5442 -6.5442 -6.1271 -6.1271 -5.5389 -5.5389 -5.1701 -5.1701 -5.0286 -5.0286 -4.8456 -4.8456 -3.6267 -3.6267 -2.7058 -2.7058 -1.3352 -1.3352 -0.8804 -0.8804 5.7311 5.7311 5.9206 5.9206 6.6799 6.6799 6.7229 6.7229 k = 0.2088-0.3245 0.7072 ( 12252 PWs) bands (ev): -98.4129 -98.4129 -98.3995 -98.3995 -13.9117 -13.9117 -13.4368 -13.4368 -13.2515 -13.2515 -12.9527 -12.9527 -6.8264 -6.8264 -6.7322 -6.7322 -6.5049 -6.5049 -6.1097 -6.1097 -5.5291 -5.5291 -5.1958 -5.1958 -5.0466 -5.0466 -4.8275 -4.8275 -3.6634 -3.6634 -2.7082 -2.7082 -1.3477 -1.3477 -0.8765 -0.8765 5.6908 5.6908 5.9019 5.9019 6.6554 6.6554 6.7001 6.7001 k = 0.2154-0.3347 0.6894 ( 12262 PWs) bands (ev): -98.4131 -98.4131 -98.3993 -98.3993 -13.9286 -13.9286 -13.4455 -13.4455 -13.2542 -13.2542 -12.9375 -12.9375 -6.8203 -6.8203 -6.7020 -6.7020 -6.4647 -6.4647 -6.0952 -6.0952 -5.5158 -5.5158 -5.2223 -5.2223 -5.0650 -5.0650 -4.8102 -4.8102 -3.6999 -3.6999 -2.7117 -2.7117 -1.3597 -1.3597 -0.8730 -0.8730 5.6508 5.6508 5.8820 5.8820 6.6336 6.6336 6.6804 6.6804 k = 0.2220-0.3449 0.6716 ( 12256 PWs) bands (ev): -98.4133 -98.4133 -98.3991 -98.3991 -13.9446 -13.9446 -13.4539 -13.4539 -13.2569 -13.2569 -12.9232 -12.9232 -6.8136 -6.8136 -6.6717 -6.6717 -6.4238 -6.4238 -6.0835 -6.0835 -5.4996 -5.4996 -5.2497 -5.2497 -5.0837 -5.0837 -4.7938 -4.7938 -3.7360 -3.7360 -2.7162 -2.7162 -1.3711 -1.3711 -0.8698 -0.8698 5.6113 5.6113 5.8611 5.8611 6.6147 6.6147 6.6638 6.6638 k = 0.2285-0.3552 0.6537 ( 12264 PWs) bands (ev): -98.4135 -98.4135 -98.3989 -98.3989 -13.9598 -13.9598 -13.4619 -13.4619 -13.2596 -13.2596 -12.9099 -12.9099 -6.8064 -6.8064 -6.6415 -6.6415 -6.3824 -6.3824 -6.0744 -6.0744 -5.4808 -5.4808 -5.2778 -5.2778 -5.1024 -5.1024 -4.7783 -4.7783 -3.7716 -3.7716 -2.7214 -2.7214 -1.3819 -1.3819 -0.8670 -0.8670 5.5724 5.5724 5.8393 5.8393 6.5985 6.5985 6.6500 6.6500 k = 0.2351-0.3654 0.6359 ( 12266 PWs) bands (ev): -98.4137 -98.4137 -98.3987 -98.3987 -13.9740 -13.9740 -13.4695 -13.4695 -13.2622 -13.2622 -12.8974 -12.8974 -6.7989 -6.7989 -6.6116 -6.6116 -6.3405 -6.3405 -6.0677 -6.0677 -5.4603 -5.4603 -5.3061 -5.3061 -5.1212 -5.1212 -4.7637 -4.7637 -3.8066 -3.8066 -2.7273 -2.7273 -1.3920 -1.3920 -0.8644 -0.8644 5.5346 5.5346 5.8169 5.8169 6.5848 6.5848 6.6387 6.6387 k = 0.2417-0.3756 0.6181 ( 12275 PWs) bands (ev): -98.4139 -98.4139 -98.3985 -98.3985 -13.9873 -13.9873 -13.4767 -13.4767 -13.2648 -13.2648 -12.8859 -12.8859 -6.7912 -6.7912 -6.5822 -6.5822 -6.2982 -6.2982 -6.0630 -6.0630 -5.4396 -5.4396 -5.3338 -5.3338 -5.1398 -5.1398 -4.7502 -4.7502 -3.8406 -3.8406 -2.7337 -2.7337 -1.4015 -1.4015 -0.8622 -0.8622 5.4981 5.4981 5.7943 5.7943 6.5734 6.5734 6.6297 6.6297 k = 0.2483-0.3858 0.6002 ( 12273 PWs) bands (ev): -98.4140 -98.4140 -98.3983 -98.3983 -13.9996 -13.9996 -13.4834 -13.4834 -13.2673 -13.2673 -12.8753 -12.8753 -6.7835 -6.7835 -6.5536 -6.5536 -6.2557 -6.2557 -6.0599 -6.0599 -5.4233 -5.4233 -5.3568 -5.3568 -5.1582 -5.1582 -4.7376 -4.7376 -3.8737 -3.8737 -2.7403 -2.7403 -1.4102 -1.4102 -0.8603 -0.8603 5.4632 5.4632 5.7719 5.7719 6.5640 6.5640 6.6224 6.6224 k = 0.2549-0.3961 0.5824 ( 12262 PWs) bands (ev): -98.4142 -98.4142 -98.3982 -98.3982 -14.0108 -14.0108 -13.4896 -13.4896 -13.2696 -13.2696 -12.8656 -12.8656 -6.7758 -6.7758 -6.5260 -6.5260 -6.2130 -6.2130 -6.0581 -6.0581 -5.4257 -5.4257 -5.3613 -5.3613 -5.1760 -5.1760 -4.7260 -4.7260 -3.9055 -3.9055 -2.7471 -2.7471 -1.4183 -1.4183 -0.8586 -0.8586 5.4302 5.4302 5.7500 5.7500 6.5563 6.5563 6.6167 6.6167 k = 0.2614-0.4063 0.5646 ( 12254 PWs) bands (ev): -98.4143 -98.4143 -98.3980 -98.3980 -14.0211 -14.0211 -13.4953 -13.4953 -13.2718 -13.2718 -12.8568 -12.8568 -6.7684 -6.7684 -6.4998 -6.4998 -6.1703 -6.1703 -6.0571 -6.0571 -5.4492 -5.4492 -5.3455 -5.3455 -5.1932 -5.1932 -4.7155 -4.7155 -3.9358 -3.9358 -2.7539 -2.7539 -1.4257 -1.4257 -0.8572 -0.8572 5.3994 5.3994 5.7290 5.7290 6.5502 6.5502 6.6121 6.6121 k = 0.2680-0.4165 0.5467 ( 12264 PWs) bands (ev): -98.4145 -98.4145 -98.3979 -98.3979 -14.0303 -14.0303 -13.5005 -13.5005 -13.2739 -13.2739 -12.8490 -12.8490 -6.7614 -6.7614 -6.4751 -6.4751 -6.1279 -6.1279 -6.0567 -6.0567 -5.4800 -5.4800 -5.3238 -5.3238 -5.2095 -5.2095 -4.7060 -4.7060 -3.9643 -3.9643 -2.7605 -2.7605 -1.4323 -1.4323 -0.8560 -0.8560 5.3711 5.3711 5.7092 5.7092 6.5453 6.5453 6.6084 6.6084 k = 0.2746-0.4267 0.5289 ( 12262 PWs) bands (ev): -98.4146 -98.4146 -98.3978 -98.3978 -14.0385 -14.0385 -13.5051 -13.5051 -13.2757 -13.2757 -12.8421 -12.8421 -6.7548 -6.7548 -6.4524 -6.4524 -6.0868 -6.0868 -6.0555 -6.0555 -5.5133 -5.5133 -5.3014 -5.3014 -5.2247 -5.2247 -4.6976 -4.6976 -3.9906 -3.9906 -2.7667 -2.7667 -1.4382 -1.4382 -0.8550 -0.8550 5.3454 5.3454 5.6910 5.6910 6.5413 6.5413 6.6054 6.6054 k = 0.2812-0.4370 0.5111 ( 12257 PWs) bands (ev): -98.4147 -98.4147 -98.3977 -98.3977 -14.0456 -14.0456 -13.5091 -13.5091 -13.2774 -13.2774 -12.8361 -12.8361 -6.7488 -6.7488 -6.4319 -6.4319 -6.0628 -6.0628 -6.0379 -6.0379 -5.5480 -5.5480 -5.2801 -5.2801 -5.2386 -5.2386 -4.6903 -4.6903 -4.0146 -4.0146 -2.7725 -2.7725 -1.4433 -1.4433 -0.8541 -0.8541 5.3227 5.3227 5.6747 5.6747 6.5382 6.5382 6.6030 6.6030 k = 0.2878-0.4472 0.4932 ( 12251 PWs) bands (ev): -98.4147 -98.4147 -98.3976 -98.3976 -14.0517 -14.0517 -13.5126 -13.5126 -13.2788 -13.2788 -12.8311 -12.8311 -6.7436 -6.7436 -6.4139 -6.4139 -6.0612 -6.0612 -5.9983 -5.9983 -5.5835 -5.5835 -5.2608 -5.2608 -5.2507 -5.2507 -4.6841 -4.6841 -4.0357 -4.0357 -2.7776 -2.7776 -1.4476 -1.4476 -0.8534 -0.8534 5.3032 5.3032 5.6605 5.6605 6.5357 6.5357 6.6011 6.6011 k = 0.2943-0.4574 0.4754 ( 12253 PWs) bands (ev): -98.4148 -98.4148 -98.3976 -98.3976 -14.0566 -14.0566 -13.5154 -13.5154 -13.2800 -13.2800 -12.8269 -12.8269 -6.7392 -6.7392 -6.3987 -6.3987 -6.0616 -6.0616 -5.9576 -5.9576 -5.6195 -5.6195 -5.2614 -5.2614 -5.2437 -5.2437 -4.6791 -4.6791 -4.0536 -4.0536 -2.7819 -2.7819 -1.4512 -1.4512 -0.8529 -0.8529 5.2870 5.2870 5.6486 5.6486 6.5338 6.5338 6.5995 6.5995 k = 0.3009-0.4676 0.4576 ( 12247 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.0605 -14.0605 -13.5176 -13.5176 -13.2809 -13.2809 -12.8237 -12.8237 -6.7357 -6.7357 -6.3866 -6.3866 -6.0622 -6.0622 -5.9177 -5.9177 -5.6555 -5.6555 -5.2697 -5.2697 -5.2300 -5.2300 -4.6751 -4.6751 -4.0681 -4.0681 -2.7854 -2.7854 -1.4540 -1.4540 -0.8525 -0.8525 5.2742 5.2742 5.6392 5.6392 6.5323 6.5323 6.5983 6.5983 k = 0.3075-0.4779 0.4397 ( 12256 PWs) bands (ev): -98.4149 -98.4149 -98.3975 -98.3975 -14.0633 -14.0633 -13.5192 -13.5192 -13.2816 -13.2816 -12.8214 -12.8214 -6.7331 -6.7331 -6.3777 -6.3777 -6.0627 -6.0627 -5.8801 -5.8801 -5.6903 -5.6903 -5.2759 -5.2759 -5.2199 -5.2199 -4.6723 -4.6723 -4.0786 -4.0786 -2.7879 -2.7879 -1.4560 -1.4560 -0.8522 -0.8522 5.2650 5.2650 5.6323 5.6323 6.5313 6.5313 6.5974 6.5974 k = 0.3141-0.4881 0.4219 ( 12262 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0649 -14.0649 -13.5201 -13.5201 -13.2820 -13.2820 -12.8201 -12.8201 -6.7316 -6.7316 -6.3723 -6.3723 -6.0630 -6.0630 -5.8481 -5.8481 -5.7206 -5.7206 -5.2796 -5.2796 -5.2137 -5.2137 -4.6706 -4.6706 -4.0850 -4.0850 -2.7895 -2.7895 -1.4572 -1.4572 -0.8520 -0.8520 5.2594 5.2594 5.6282 5.6282 6.5307 6.5307 6.5969 6.5969 k = 0.3207-0.4983 0.4041 ( 12252 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0655 -14.0655 -13.5205 -13.5205 -13.2821 -13.2821 -12.8196 -12.8196 -6.7310 -6.7310 -6.3705 -6.3705 -6.0631 -6.0631 -5.8332 -5.8332 -5.7349 -5.7349 -5.2809 -5.2809 -5.2116 -5.2116 -4.6700 -4.6700 -4.0872 -4.0872 -2.7900 -2.7900 -1.4576 -1.4576 -0.8520 -0.8520 5.2576 5.2576 5.6268 5.6268 6.5305 6.5305 6.5967 6.5967 k = 0.6793 0.0431 0.2260 ( 12252 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0655 -14.0655 -13.5205 -13.5205 -13.2821 -13.2821 -12.8196 -12.8196 -6.7310 -6.7310 -6.3705 -6.3705 -6.0631 -6.0631 -5.8332 -5.8332 -5.7349 -5.7349 -5.2809 -5.2809 -5.2116 -5.2116 -4.6700 -4.6700 -4.0872 -4.0872 -2.7900 -2.7900 -1.4576 -1.4576 -0.8520 -0.8520 5.2576 5.2576 5.6268 5.6268 6.5305 6.5305 6.5967 6.5967 k = 0.6699 0.0577 0.2141 ( 12244 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0661 -14.0661 -13.5180 -13.5180 -13.2873 -13.2873 -12.8157 -12.8157 -6.7358 -6.7358 -6.3656 -6.3656 -6.0633 -6.0633 -5.8313 -5.8313 -5.7358 -5.7358 -5.2842 -5.2842 -5.2099 -5.2099 -4.6663 -4.6663 -4.0946 -4.0946 -2.7828 -2.7828 -1.4697 -1.4697 -0.8383 -0.8383 5.2136 5.2136 5.6524 5.6524 6.5495 6.5495 6.5921 6.5921 k = 0.6605 0.0724 0.2022 ( 12248 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0671 -14.0671 -13.5152 -13.5152 -13.2923 -13.2923 -12.8118 -12.8118 -6.7406 -6.7406 -6.3605 -6.3605 -6.0645 -6.0645 -5.8285 -5.8285 -5.7369 -5.7369 -5.2876 -5.2876 -5.2079 -5.2079 -4.6626 -4.6626 -4.1025 -4.1025 -2.7750 -2.7750 -1.4822 -1.4822 -0.8236 -0.8236 5.1725 5.1725 5.6753 5.6753 6.5046 6.5046 6.6465 6.6465 k = 0.6510 0.0871 0.1903 ( 12254 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0685 -14.0685 -13.5120 -13.5120 -13.2973 -13.2973 -12.8080 -12.8080 -6.7455 -6.7455 -6.3553 -6.3553 -6.0665 -6.0665 -5.8250 -5.8250 -5.7383 -5.7383 -5.2912 -5.2912 -5.2057 -5.2057 -4.6589 -4.6589 -4.1108 -4.1108 -2.7668 -2.7668 -1.4951 -1.4951 -0.8079 -0.8079 5.1343 5.1343 5.6954 5.6954 6.4625 6.4625 6.6822 6.6822 k = 0.6416 0.1017 0.1784 ( 12254 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0701 -14.0701 -13.5085 -13.5085 -13.3021 -13.3021 -12.8042 -12.8042 -6.7504 -6.7504 -6.3501 -6.3501 -6.0692 -6.0692 -5.8209 -5.8209 -5.7397 -5.7397 -5.2947 -5.2947 -5.2033 -5.2033 -4.6552 -4.6552 -4.1194 -4.1194 -2.7582 -2.7582 -1.5081 -1.5081 -0.7915 -0.7915 5.0989 5.0989 5.7126 5.7126 6.4236 6.4236 6.6833 6.6833 k = 0.6321 0.1164 0.1665 ( 12248 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0719 -14.0719 -13.5048 -13.5048 -13.3068 -13.3068 -12.8005 -12.8005 -6.7552 -6.7552 -6.3450 -6.3450 -6.0725 -6.0725 -5.8164 -5.8164 -5.7414 -5.7414 -5.2983 -5.2983 -5.2008 -5.2008 -4.6517 -4.6517 -4.1282 -4.1282 -2.7493 -2.7493 -1.5213 -1.5213 -0.7747 -0.7747 5.0664 5.0664 5.7268 5.7268 6.3881 6.3881 6.6591 6.6591 k = 0.6227 0.1311 0.1546 ( 12254 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0739 -14.0739 -13.5009 -13.5009 -13.3112 -13.3112 -12.7969 -12.7969 -6.7598 -6.7598 -6.3400 -6.3400 -6.0762 -6.0762 -5.8116 -5.8116 -5.7431 -5.7431 -5.3018 -5.3018 -5.1982 -5.1982 -4.6482 -4.6482 -4.1370 -4.1370 -2.7401 -2.7401 -1.5344 -1.5344 -0.7577 -0.7577 5.0366 5.0366 5.7380 5.7380 6.3564 6.3564 6.6258 6.6258 k = 0.6133 0.1457 0.1427 ( 12250 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0760 -14.0760 -13.4971 -13.4971 -13.3155 -13.3155 -12.7935 -12.7935 -6.7643 -6.7643 -6.3351 -6.3351 -6.0801 -6.0801 -5.8067 -5.8067 -5.7449 -5.7449 -5.3052 -5.3052 -5.1955 -5.1955 -4.6449 -4.6449 -4.1457 -4.1457 -2.7309 -2.7309 -1.5474 -1.5474 -0.7408 -0.7408 5.0095 5.0095 5.7462 5.7462 6.3287 6.3287 6.5901 6.5901 k = 0.6038 0.1604 0.1308 ( 12246 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0781 -14.0781 -13.4932 -13.4932 -13.3195 -13.3195 -12.7902 -12.7902 -6.7686 -6.7686 -6.3305 -6.3305 -6.0841 -6.0841 -5.8017 -5.8017 -5.7467 -5.7467 -5.3084 -5.3084 -5.1929 -5.1929 -4.6418 -4.6418 -4.1542 -4.1542 -2.7218 -2.7218 -1.5601 -1.5601 -0.7241 -0.7241 4.9851 4.9851 5.7514 5.7514 6.3051 6.3051 6.5544 6.5544 k = 0.5944 0.1751 0.1189 ( 12254 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0802 -14.0802 -13.4894 -13.4894 -13.3232 -13.3232 -12.7872 -12.7872 -6.7726 -6.7726 -6.3261 -6.3261 -6.0882 -6.0882 -5.7969 -5.7969 -5.7484 -5.7484 -5.3116 -5.3116 -5.1903 -5.1903 -4.6389 -4.6389 -4.1623 -4.1623 -2.7127 -2.7127 -1.5724 -1.5724 -0.7080 -0.7080 4.9632 4.9632 5.7538 5.7538 6.2856 6.2856 6.5197 6.5197 k = 0.5849 0.1897 0.1070 ( 12260 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0822 -14.0822 -13.4858 -13.4858 -13.3266 -13.3266 -12.7844 -12.7844 -6.7763 -6.7763 -6.3220 -6.3220 -6.0921 -6.0921 -5.7922 -5.7922 -5.7501 -5.7501 -5.3145 -5.3145 -5.1879 -5.1879 -4.6362 -4.6362 -4.1700 -4.1700 -2.7040 -2.7040 -1.5841 -1.5841 -0.6927 -0.6927 4.9438 4.9438 5.7537 5.7537 6.2701 6.2701 6.4869 6.4869 k = 0.5755 0.2044 0.0952 ( 12252 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0842 -14.0842 -13.4824 -13.4824 -13.3298 -13.3298 -12.7818 -12.7818 -6.7797 -6.7797 -6.3183 -6.3183 -6.0959 -6.0959 -5.7878 -5.7878 -5.7517 -5.7517 -5.3172 -5.3172 -5.1855 -5.1855 -4.6337 -4.6337 -4.1771 -4.1771 -2.6957 -2.6957 -1.5951 -1.5951 -0.6784 -0.6784 4.9268 4.9268 5.7515 5.7515 6.2582 6.2582 6.4563 6.4563 k = 0.5661 0.2191 0.0833 ( 12246 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0860 -14.0860 -13.4792 -13.4792 -13.3326 -13.3326 -12.7794 -12.7794 -6.7828 -6.7828 -6.3149 -6.3149 -6.0994 -6.0994 -5.7838 -5.7838 -5.7532 -5.7532 -5.3197 -5.3197 -5.1834 -5.1834 -4.6315 -4.6315 -4.1836 -4.1836 -2.6879 -2.6879 -1.6053 -1.6053 -0.6652 -0.6652 4.9121 4.9121 5.7478 5.7478 6.2496 6.2496 6.4284 6.4284 k = 0.5566 0.2337 0.0714 ( 12248 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0877 -14.0877 -13.4764 -13.4764 -13.3350 -13.3350 -12.7774 -12.7774 -6.7855 -6.7855 -6.3119 -6.3119 -6.1026 -6.1026 -5.7802 -5.7802 -5.7546 -5.7546 -5.3218 -5.3218 -5.1815 -5.1815 -4.6296 -4.6296 -4.1895 -4.1895 -2.6809 -2.6809 -1.6145 -1.6145 -0.6534 -0.6534 4.8996 4.8996 5.7431 5.7431 6.2436 6.2436 6.4036 6.4036 k = 0.5472 0.2484 0.0595 ( 12222 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0891 -14.0891 -13.4740 -13.4740 -13.3371 -13.3371 -12.7756 -12.7756 -6.7878 -6.7878 -6.3093 -6.3093 -6.1054 -6.1054 -5.7770 -5.7770 -5.7558 -5.7558 -5.3237 -5.3237 -5.1798 -5.1798 -4.6279 -4.6279 -4.1945 -4.1945 -2.6746 -2.6746 -1.6226 -1.6226 -0.6432 -0.6432 4.8892 4.8892 5.7380 5.7380 6.2397 6.2397 6.3821 6.3821 k = 0.5378 0.2631 0.0476 ( 12222 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0904 -14.0904 -13.4719 -13.4719 -13.3388 -13.3388 -12.7742 -12.7742 -6.7897 -6.7897 -6.3072 -6.3072 -6.1077 -6.1077 -5.7744 -5.7744 -5.7568 -5.7568 -5.3253 -5.3253 -5.1784 -5.1784 -4.6265 -4.6265 -4.1987 -4.1987 -2.6694 -2.6694 -1.6294 -1.6294 -0.6346 -0.6346 4.8808 4.8808 5.7331 5.7331 6.2373 6.2373 6.3642 6.3642 k = 0.5283 0.2777 0.0357 ( 12216 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0913 -14.0913 -13.4702 -13.4702 -13.3402 -13.3402 -12.7730 -12.7730 -6.7912 -6.7912 -6.3055 -6.3055 -6.1096 -6.1096 -5.7723 -5.7723 -5.7576 -5.7576 -5.3265 -5.3265 -5.1773 -5.1773 -4.6254 -4.6254 -4.2020 -4.2020 -2.6651 -2.6651 -1.6348 -1.6348 -0.6277 -0.6277 4.8744 4.8744 5.7287 5.7287 6.2361 6.2361 6.3501 6.3501 k = 0.5189 0.2924 0.0238 ( 12218 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0920 -14.0920 -13.4690 -13.4690 -13.3412 -13.3412 -12.7722 -12.7722 -6.7923 -6.7923 -6.3043 -6.3043 -6.1109 -6.1109 -5.7708 -5.7708 -5.7581 -5.7581 -5.3274 -5.3274 -5.1764 -5.1764 -4.6246 -4.6246 -4.2044 -4.2044 -2.6620 -2.6620 -1.6387 -1.6387 -0.6228 -0.6228 4.8699 4.8699 5.7254 5.7254 6.2355 6.2355 6.3399 6.3399 k = 0.5094 0.3071 0.0119 ( 12214 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0925 -14.0925 -13.4683 -13.4683 -13.3418 -13.3418 -12.7717 -12.7717 -6.7930 -6.7930 -6.3036 -6.3036 -6.1118 -6.1118 -5.7699 -5.7699 -5.7585 -5.7585 -5.3279 -5.3279 -5.1760 -5.1760 -4.6242 -4.6242 -4.2059 -4.2059 -2.6601 -2.6601 -1.6411 -1.6411 -0.6198 -0.6198 4.8672 4.8672 5.7232 5.7232 6.2352 6.2352 6.3337 6.3337 k = 0.5000 0.3217 0.0000 ( 12212 PWs) bands (ev): -98.4149 -98.4149 -98.3974 -98.3974 -14.0926 -14.0926 -13.4681 -13.4681 -13.3420 -13.3420 -12.7715 -12.7715 -6.7932 -6.7932 -6.3033 -6.3033 -6.1120 -6.1120 -5.7696 -5.7696 -5.7586 -5.7586 -5.3281 -5.3281 -5.1758 -5.1758 -4.6240 -4.6240 -4.2063 -4.2063 -2.6595 -2.6595 -1.6419 -1.6419 -0.6188 -0.6188 4.8663 4.8663 5.7225 5.7225 6.2352 6.2352 6.3316 6.3316 Writing output data file BexH3Cx2.save init_run : 0.89s CPU 1.11s WALL ( 1 calls) electrons : 504.77s CPU 510.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.16s CPU 0.24s WALL ( 1 calls) Called by electrons: c_bands : 504.77s CPU 510.93s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.06s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.05s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.14s WALL ( 339 calls) cegterg : 444.88s CPU 448.53s WALL ( 481 calls) Called by sum_band: Called by *egterg: h_psi : 408.80s CPU 412.20s WALL ( 8413 calls) s_psi : 4.76s CPU 4.89s WALL ( 8413 calls) g_psi : 0.64s CPU 0.66s WALL ( 7593 calls) cdiaghg : 45.82s CPU 46.24s WALL ( 7932 calls) cegterg:over : 13.79s CPU 13.74s WALL ( 7593 calls) cegterg:upda : 15.14s CPU 15.12s WALL ( 7593 calls) cegterg:last : 6.60s CPU 6.67s WALL ( 1405 calls) cdiaghg:chol : 2.85s CPU 2.76s WALL ( 7932 calls) cdiaghg:inve : 1.53s CPU 1.51s WALL ( 7932 calls) cdiaghg:para : 2.81s CPU 2.76s WALL ( 15864 calls) Called by h_psi: h_psi:vloc : 393.06s CPU 396.57s WALL ( 8413 calls) h_psi:vnl : 14.98s CPU 14.91s WALL ( 8413 calls) add_vuspsi : 5.36s CPU 5.32s WALL ( 8413 calls) General routines calbec : 9.57s CPU 9.57s WALL ( 8413 calls) fft : 0.07s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 335.44s CPU 337.80s WALL ( 782016 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.33s CPU 0.49s WALL ( 678 calls) Parallel routines fft_scatter : 85.68s CPU 87.14s WALL ( 782039 calls) PWSCF : 8m53.59s CPU 9m39.68s WALL This run was terminated on: 16:35:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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