Program PWSCF v.5.1.1 starts on 18Jul2015 at 1: 5:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BiI3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 108 108 29 3980 3980 568 Max 109 109 30 3983 3983 571 Sum 3475 3475 951 127389 127389 18237 bravais-lattice index = 14 lattice parameter (alat) = 15.9027 a.u. unit-cell volume = 2377.8167 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 216.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.902691 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.601689 celldm(5)= 0.601689 celldm(6)= 0.601689 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.601689 0.798730 0.000000 ) a(3) = ( 0.601689 0.300050 0.740230 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.753307 -0.507490 ) b(2) = ( 0.000000 1.251987 -0.507490 ) b(3) = ( 0.000000 0.000000 1.350932 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Bi 5.00 208.98040 Bi( 1.00) I 7.00 126.90450 I( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 187 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 2) = ( 0.0192308 -0.0144867 -0.0097594), wk = 0.0053476 k( 3) = ( 0.0384615 -0.0289734 -0.0195189), wk = 0.0053476 k( 4) = ( 0.0576923 -0.0434600 -0.0292783), wk = 0.0053476 k( 5) = ( 0.0769231 -0.0579467 -0.0390377), wk = 0.0053476 k( 6) = ( 0.0961538 -0.0724334 -0.0487971), wk = 0.0053476 k( 7) = ( 0.1153846 -0.0869201 -0.0585566), wk = 0.0053476 k( 8) = ( 0.1346154 -0.1014067 -0.0683160), wk = 0.0053476 k( 9) = ( 0.1538461 -0.1158934 -0.0780754), wk = 0.0053476 k( 10) = ( 0.1730769 -0.1303801 -0.0878348), wk = 0.0053476 k( 11) = ( 0.1923077 -0.1448668 -0.0975943), wk = 0.0053476 k( 12) = ( 0.2115385 -0.1593535 -0.1073537), wk = 0.0053476 k( 13) = ( 0.2307692 -0.1738401 -0.1171131), wk = 0.0053476 k( 14) = ( 0.2500000 -0.1883268 -0.1268725), wk = 0.0053476 k( 15) = ( 0.2692308 -0.2028135 -0.1366320), wk = 0.0053476 k( 16) = ( 0.2884615 -0.2173002 -0.1463914), wk = 0.0053476 k( 17) = ( 0.3076923 -0.2317869 -0.1561508), wk = 0.0053476 k( 18) = ( 0.3269231 -0.2462735 -0.1659102), wk = 0.0053476 k( 19) = ( 0.3461538 -0.2607602 -0.1756697), wk = 0.0053476 k( 20) = ( 0.3653846 -0.2752469 -0.1854291), wk = 0.0053476 k( 21) = ( 0.3846154 -0.2897336 -0.1951885), wk = 0.0053476 k( 22) = ( 0.4038462 -0.3042202 -0.2049479), wk = 0.0053476 k( 23) = ( 0.4230769 -0.3187069 -0.2147074), wk = 0.0053476 k( 24) = ( 0.4423077 -0.3331936 -0.2244668), wk = 0.0053476 k( 25) = ( 0.4615385 -0.3476803 -0.2342262), wk = 0.0053476 k( 26) = ( 0.4807692 -0.3621670 -0.2439856), wk = 0.0053476 k( 27) = ( 0.5000000 -0.3766536 -0.2537451), wk = 0.0053476 k( 28) = ( 0.5000000 -0.3766536 -0.2537451), wk = 0.0053476 k( 29) = ( 0.5000000 -0.3617007 -0.2759409), wk = 0.0053476 k( 30) = ( 0.5000000 -0.3467477 -0.2981368), wk = 0.0053476 k( 31) = ( 0.5000000 -0.3317948 -0.3203326), wk = 0.0053476 k( 32) = ( 0.5000000 -0.3168418 -0.3425285), wk = 0.0053476 k( 33) = ( 0.5000000 -0.3018889 -0.3647243), wk = 0.0053476 k( 34) = ( 0.5000000 -0.2869359 -0.3869201), wk = 0.0053476 k( 35) = ( 0.5000000 -0.2719829 -0.4091160), wk = 0.0053476 k( 36) = ( 0.5000000 -0.2570300 -0.4313119), wk = 0.0053476 k( 37) = ( 0.5000000 -0.2420770 -0.4535077), wk = 0.0053476 k( 38) = ( 0.5000000 -0.2271240 -0.4757035), wk = 0.0053476 k( 39) = ( 0.5000000 -0.2121711 -0.4978994), wk = 0.0053476 k( 40) = ( 0.5000000 -0.1972181 -0.5200952), wk = 0.0053476 k( 41) = ( 0.5000000 -0.1822652 -0.5422911), wk = 0.0053476 k( 42) = ( 0.5000000 -0.1673122 -0.5644869), wk = 0.0053476 k( 43) = ( 0.5000000 -0.1523593 -0.5866828), wk = 0.0053476 k( 44) = ( 0.5000000 -0.1374063 -0.6088786), wk = 0.0053476 k( 45) = ( 0.5000000 -0.1224533 -0.6310745), wk = 0.0053476 k( 46) = ( 0.5000000 -0.1075004 -0.6532703), wk = 0.0053476 k( 47) = ( 0.5000000 -0.0925474 -0.6754662), wk = 0.0053476 k( 48) = ( 0.7730758 0.0436300 -0.3395141), wk = 0.0053476 k( 49) = ( 0.7612029 0.0525739 -0.3174493), wk = 0.0053476 k( 50) = ( 0.7493300 0.0615178 -0.2953845), wk = 0.0053476 k( 51) = ( 0.7374572 0.0704617 -0.2733198), wk = 0.0053476 k( 52) = ( 0.7255843 0.0794056 -0.2512550), wk = 0.0053476 k( 53) = ( 0.7137115 0.0883495 -0.2291902), wk = 0.0053476 k( 54) = ( 0.7018386 0.0972934 -0.2071254), wk = 0.0053476 k( 55) = ( 0.6899658 0.1062374 -0.1850606), wk = 0.0053476 k( 56) = ( 0.6780929 0.1151813 -0.1629958), wk = 0.0053476 k( 57) = ( 0.6662200 0.1241252 -0.1409310), wk = 0.0053476 k( 58) = ( 0.6543472 0.1330691 -0.1188662), wk = 0.0053476 k( 59) = ( 0.6424743 0.1420130 -0.0968014), wk = 0.0053476 k( 60) = ( 0.6306015 0.1509569 -0.0747366), wk = 0.0053476 k( 61) = ( 0.6187286 0.1599008 -0.0526719), wk = 0.0053476 k( 62) = ( 0.6068557 0.1688447 -0.0306071), wk = 0.0053476 k( 63) = ( 0.5949829 0.1777886 -0.0085423), wk = 0.0053476 k( 64) = ( 0.5831100 0.1867326 0.0135225), wk = 0.0053476 k( 65) = ( 0.5712372 0.1956765 0.0355873), wk = 0.0053476 k( 66) = ( 0.5593643 0.2046204 0.0576521), wk = 0.0053476 k( 67) = ( 0.5474914 0.2135643 0.0797169), wk = 0.0053476 k( 68) = ( 0.5356186 0.2225082 0.1017817), wk = 0.0053476 k( 69) = ( 0.5237457 0.2314521 0.1238464), wk = 0.0053476 k( 70) = ( 0.5118729 0.2403960 0.1459112), wk = 0.0053476 k( 71) = ( 0.5000000 0.2493399 0.1679760), wk = 0.0053476 k( 72) = ( 0.5000000 0.2493399 0.1679760), wk = 0.0053476 k( 73) = ( 0.4772727 0.2380063 0.1603407), wk = 0.0053476 k( 74) = ( 0.4545455 0.2266727 0.1527055), wk = 0.0053476 k( 75) = ( 0.4318182 0.2153390 0.1450702), wk = 0.0053476 k( 76) = ( 0.4090909 0.2040054 0.1374349), wk = 0.0053476 k( 77) = ( 0.3863636 0.1926718 0.1297997), wk = 0.0053476 k( 78) = ( 0.3636364 0.1813381 0.1221644), wk = 0.0053476 k( 79) = ( 0.3409091 0.1700045 0.1145291), wk = 0.0053476 k( 80) = ( 0.3181818 0.1586709 0.1068938), wk = 0.0053476 k( 81) = ( 0.2954545 0.1473372 0.0992586), wk = 0.0053476 k( 82) = ( 0.2727273 0.1360036 0.0916233), wk = 0.0053476 k( 83) = ( 0.2500000 0.1246700 0.0839880), wk = 0.0053476 k( 84) = ( 0.2272727 0.1133363 0.0763527), wk = 0.0053476 k( 85) = ( 0.2045454 0.1020027 0.0687175), wk = 0.0053476 k( 86) = ( 0.1818182 0.0906691 0.0610822), wk = 0.0053476 k( 87) = ( 0.1590909 0.0793354 0.0534469), wk = 0.0053476 k( 88) = ( 0.1363636 0.0680018 0.0458116), wk = 0.0053476 k( 89) = ( 0.1136364 0.0566682 0.0381764), wk = 0.0053476 k( 90) = ( 0.0909091 0.0453345 0.0305411), wk = 0.0053476 k( 91) = ( 0.0681818 0.0340009 0.0229058), wk = 0.0053476 k( 92) = ( 0.0454546 0.0226673 0.0152705), wk = 0.0053476 k( 93) = ( 0.0227273 0.0113336 0.0076353), wk = 0.0053476 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 96) = ( 0.0117246 -0.0088322 -0.0217892), wk = 0.0053476 k( 97) = ( 0.0234492 -0.0176644 -0.0435785), wk = 0.0053476 k( 98) = ( 0.0351737 -0.0264966 -0.0653677), wk = 0.0053476 k( 99) = ( 0.0468983 -0.0353289 -0.0871569), wk = 0.0053476 k( 100) = ( 0.0586229 -0.0441611 -0.1089462), wk = 0.0053476 k( 101) = ( 0.0703475 -0.0529933 -0.1307354), wk = 0.0053476 k( 102) = ( 0.0820721 -0.0618255 -0.1525246), wk = 0.0053476 k( 103) = ( 0.0937967 -0.0706577 -0.1743139), wk = 0.0053476 k( 104) = ( 0.1055213 -0.0794899 -0.1961031), wk = 0.0053476 k( 105) = ( 0.1172458 -0.0883221 -0.2178923), wk = 0.0053476 k( 106) = ( 0.1289704 -0.0971544 -0.2396815), wk = 0.0053476 k( 107) = ( 0.1406950 -0.1059866 -0.2614708), wk = 0.0053476 k( 108) = ( 0.1524196 -0.1148188 -0.2832600), wk = 0.0053476 k( 109) = ( 0.1641442 -0.1236510 -0.3050492), wk = 0.0053476 k( 110) = ( 0.1758688 -0.1324832 -0.3268385), wk = 0.0053476 k( 111) = ( 0.1875933 -0.1413154 -0.3486277), wk = 0.0053476 k( 112) = ( 0.1993179 -0.1501477 -0.3704169), wk = 0.0053476 k( 113) = ( 0.2110425 -0.1589799 -0.3922062), wk = 0.0053476 k( 114) = ( 0.2227671 -0.1678121 -0.4139954), wk = 0.0053476 k( 115) = ( 0.2344917 -0.1766443 -0.4357846), wk = 0.0053476 k( 116) = ( 0.2462163 -0.1854765 -0.4575738), wk = 0.0053476 k( 117) = ( 0.2579409 -0.1943087 -0.4793631), wk = 0.0053476 k( 118) = ( 0.2696654 -0.2031409 -0.5011523), wk = 0.0053476 k( 119) = ( 0.2813900 -0.2119732 -0.5229415), wk = 0.0053476 k( 120) = ( 0.2931146 -0.2208054 -0.5447308), wk = 0.0053476 k( 121) = ( 0.3048392 -0.2296376 -0.5665200), wk = 0.0053476 k( 122) = ( 0.3165638 -0.2384698 -0.5883092), wk = 0.0053476 k( 123) = ( 0.3282884 -0.2473020 -0.6100985), wk = 0.0053476 k( 124) = ( 0.3400129 -0.2561342 -0.6318877), wk = 0.0053476 k( 125) = ( 0.3517375 -0.2649664 -0.6536769), wk = 0.0053476 k( 126) = ( 0.3634621 -0.2737987 -0.6754662), wk = 0.0053476 k( 127) = ( 0.6365379 -0.0244587 -0.5074901), wk = 0.0053476 k( 128) = ( 0.6251597 -0.0016422 -0.5074901), wk = 0.0053476 k( 129) = ( 0.6137816 0.0211744 -0.5074901), wk = 0.0053476 k( 130) = ( 0.6024034 0.0439909 -0.5074901), wk = 0.0053476 k( 131) = ( 0.5910253 0.0668075 -0.5074901), wk = 0.0053476 k( 132) = ( 0.5796471 0.0896241 -0.5074901), wk = 0.0053476 k( 133) = ( 0.5682689 0.1124406 -0.5074901), wk = 0.0053476 k( 134) = ( 0.5568908 0.1352572 -0.5074901), wk = 0.0053476 k( 135) = ( 0.5455126 0.1580737 -0.5074901), wk = 0.0053476 k( 136) = ( 0.5341345 0.1808903 -0.5074901), wk = 0.0053476 k( 137) = ( 0.5227563 0.2037068 -0.5074901), wk = 0.0053476 k( 138) = ( 0.5113782 0.2265234 -0.5074901), wk = 0.0053476 k( 139) = ( 0.5000000 0.2493399 -0.5074901), wk = 0.0053476 k( 140) = ( 0.5000000 0.2493399 -0.5074901), wk = 0.0053476 k( 141) = ( 0.5151709 0.2569054 -0.4888261), wk = 0.0053476 k( 142) = ( 0.5303417 0.2644708 -0.4701621), wk = 0.0053476 k( 143) = ( 0.5455126 0.2720362 -0.4514981), wk = 0.0053476 k( 144) = ( 0.5606835 0.2796016 -0.4328341), wk = 0.0053476 k( 145) = ( 0.5758544 0.2871670 -0.4141701), wk = 0.0053476 k( 146) = ( 0.5910253 0.2947324 -0.3955061), wk = 0.0053476 k( 147) = ( 0.6061961 0.3022978 -0.3768421), wk = 0.0053476 k( 148) = ( 0.6213670 0.3098632 -0.3581781), wk = 0.0053476 k( 149) = ( 0.6365379 0.3174286 -0.3395141), wk = 0.0053476 k( 150) = ( 0.6365379 0.3174286 -0.3395141), wk = 0.0053476 k( 151) = ( 0.6297110 0.3140242 -0.3141396), wk = 0.0053476 k( 152) = ( 0.6228841 0.3106198 -0.2887651), wk = 0.0053476 k( 153) = ( 0.6160572 0.3072153 -0.2633906), wk = 0.0053476 k( 154) = ( 0.6092303 0.3038109 -0.2380161), wk = 0.0053476 k( 155) = ( 0.6024034 0.3004065 -0.2126416), wk = 0.0053476 k( 156) = ( 0.5955765 0.2970020 -0.1872671), wk = 0.0053476 k( 157) = ( 0.5887496 0.2935976 -0.1618926), wk = 0.0053476 k( 158) = ( 0.5819227 0.2901932 -0.1365181), wk = 0.0053476 k( 159) = ( 0.5750958 0.2867887 -0.1111436), wk = 0.0053476 k( 160) = ( 0.5682689 0.2833843 -0.0857690), wk = 0.0053476 k( 161) = ( 0.5614421 0.2799799 -0.0603946), wk = 0.0053476 k( 162) = ( 0.5546151 0.2765754 -0.0350200), wk = 0.0053476 k( 163) = ( 0.5477883 0.2731710 -0.0096455), wk = 0.0053476 k( 164) = ( 0.5409614 0.2697666 0.0157290), wk = 0.0053476 k( 165) = ( 0.5341345 0.2663621 0.0411035), wk = 0.0053476 k( 166) = ( 0.5273076 0.2629577 0.0664780), wk = 0.0053476 k( 167) = ( 0.5204807 0.2595532 0.0918525), wk = 0.0053476 k( 168) = ( 0.5136538 0.2561488 0.1172270), wk = 0.0053476 k( 169) = ( 0.5068269 0.2527444 0.1426015), wk = 0.0053476 k( 170) = ( 0.5000000 0.2493399 0.1679760), wk = 0.0053476 k( 171) = ( 0.5000000 -0.3766536 -0.2537451), wk = 0.0053476 k( 172) = ( 0.5170672 -0.3610699 -0.2432466), wk = 0.0053476 k( 173) = ( 0.5341345 -0.3454862 -0.2327481), wk = 0.0053476 k( 174) = ( 0.5512017 -0.3299024 -0.2222496), wk = 0.0053476 k( 175) = ( 0.5682689 -0.3143187 -0.2117511), wk = 0.0053476 k( 176) = ( 0.5853362 -0.2987349 -0.2012526), wk = 0.0053476 k( 177) = ( 0.6024034 -0.2831512 -0.1907541), wk = 0.0053476 k( 178) = ( 0.6194707 -0.2675674 -0.1802556), wk = 0.0053476 k( 179) = ( 0.6365379 -0.2519837 -0.1697571), wk = 0.0053476 k( 180) = ( 0.6536051 -0.2363999 -0.1592586), wk = 0.0053476 k( 181) = ( 0.6706724 -0.2208162 -0.1487601), wk = 0.0053476 k( 182) = ( 0.6877396 -0.2052324 -0.1382616), wk = 0.0053476 k( 183) = ( 0.7048068 -0.1896487 -0.1277631), wk = 0.0053476 k( 184) = ( 0.7218741 -0.1740649 -0.1172646), wk = 0.0053476 k( 185) = ( 0.7389413 -0.1584812 -0.1067661), wk = 0.0053476 k( 186) = ( 0.7560085 -0.1428975 -0.0962676), wk = 0.0053476 k( 187) = ( 0.7730758 -0.1273137 -0.0857690), wk = 0.0053476 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 2) = ( 0.0192308 0.0000000 -0.0000000), wk = 0.0053476 k( 3) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0053476 k( 4) = ( 0.0576923 0.0000000 -0.0000000), wk = 0.0053476 k( 5) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0053476 k( 6) = ( 0.0961538 0.0000000 -0.0000000), wk = 0.0053476 k( 7) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0053476 k( 8) = ( 0.1346154 0.0000000 -0.0000000), wk = 0.0053476 k( 9) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0053476 k( 10) = ( 0.1730769 0.0000000 -0.0000000), wk = 0.0053476 k( 11) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0053476 k( 12) = ( 0.2115385 0.0000000 -0.0000000), wk = 0.0053476 k( 13) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0053476 k( 14) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0053476 k( 15) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0053476 k( 16) = ( 0.2884615 0.0000000 -0.0000000), wk = 0.0053476 k( 17) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0053476 k( 18) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0053476 k( 19) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0053476 k( 20) = ( 0.3653846 0.0000000 -0.0000000), wk = 0.0053476 k( 21) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0053476 k( 22) = ( 0.4038462 -0.0000000 -0.0000000), wk = 0.0053476 k( 23) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0053476 k( 24) = ( 0.4423077 0.0000000 -0.0000000), wk = 0.0053476 k( 25) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0053476 k( 26) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0053476 k( 27) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0053476 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0053476 k( 29) = ( 0.5000000 0.0119434 -0.0119434), wk = 0.0053476 k( 30) = ( 0.5000000 0.0238868 -0.0238868), wk = 0.0053476 k( 31) = ( 0.5000000 0.0358301 -0.0358301), wk = 0.0053476 k( 32) = ( 0.5000000 0.0477735 -0.0477735), wk = 0.0053476 k( 33) = ( 0.5000000 0.0597169 -0.0597169), wk = 0.0053476 k( 34) = ( 0.5000000 0.0716603 -0.0716603), wk = 0.0053476 k( 35) = ( 0.5000000 0.0836037 -0.0836037), wk = 0.0053476 k( 36) = ( 0.5000000 0.0955471 -0.0955471), wk = 0.0053476 k( 37) = ( 0.5000000 0.1074904 -0.1074904), wk = 0.0053476 k( 38) = ( 0.5000000 0.1194338 -0.1194338), wk = 0.0053476 k( 39) = ( 0.5000000 0.1313772 -0.1313772), wk = 0.0053476 k( 40) = ( 0.5000000 0.1433206 -0.1433206), wk = 0.0053476 k( 41) = ( 0.5000000 0.1552640 -0.1552640), wk = 0.0053476 k( 42) = ( 0.5000000 0.1672073 -0.1672073), wk = 0.0053476 k( 43) = ( 0.5000000 0.1791507 -0.1791507), wk = 0.0053476 k( 44) = ( 0.5000000 0.1910941 -0.1910941), wk = 0.0053476 k( 45) = ( 0.5000000 0.2030375 -0.2030375), wk = 0.0053476 k( 46) = ( 0.5000000 0.2149809 -0.2149809), wk = 0.0053476 k( 47) = ( 0.5000000 0.2269242 -0.2269242), wk = 0.0053476 k( 48) = ( 0.7730758 0.5000000 0.2269242), wk = 0.0053476 k( 49) = ( 0.7612029 0.5000000 0.2387971), wk = 0.0053476 k( 50) = ( 0.7493300 0.5000000 0.2506699), wk = 0.0053476 k( 51) = ( 0.7374572 0.5000000 0.2625428), wk = 0.0053476 k( 52) = ( 0.7255843 0.5000000 0.2744157), wk = 0.0053476 k( 53) = ( 0.7137115 0.5000000 0.2862885), wk = 0.0053476 k( 54) = ( 0.7018386 0.5000000 0.2981614), wk = 0.0053476 k( 55) = ( 0.6899658 0.5000000 0.3100343), wk = 0.0053476 k( 56) = ( 0.6780929 0.5000000 0.3219071), wk = 0.0053476 k( 57) = ( 0.6662200 0.5000000 0.3337800), wk = 0.0053476 k( 58) = ( 0.6543472 0.5000000 0.3456528), wk = 0.0053476 k( 59) = ( 0.6424743 0.5000000 0.3575257), wk = 0.0053476 k( 60) = ( 0.6306015 0.5000000 0.3693985), wk = 0.0053476 k( 61) = ( 0.6187286 0.5000000 0.3812714), wk = 0.0053476 k( 62) = ( 0.6068557 0.5000000 0.3931443), wk = 0.0053476 k( 63) = ( 0.5949829 0.5000000 0.4050171), wk = 0.0053476 k( 64) = ( 0.5831100 0.5000000 0.4168900), wk = 0.0053476 k( 65) = ( 0.5712372 0.5000000 0.4287628), wk = 0.0053476 k( 66) = ( 0.5593643 0.5000000 0.4406357), wk = 0.0053476 k( 67) = ( 0.5474914 0.5000000 0.4525086), wk = 0.0053476 k( 68) = ( 0.5356186 0.5000000 0.4643814), wk = 0.0053476 k( 69) = ( 0.5237457 0.5000000 0.4762543), wk = 0.0053476 k( 70) = ( 0.5118729 0.5000000 0.4881271), wk = 0.0053476 k( 71) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 72) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 73) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0053476 k( 74) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0053476 k( 75) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0053476 k( 76) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0053476 k( 77) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0053476 k( 78) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0053476 k( 79) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0053476 k( 80) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0053476 k( 81) = ( 0.2954545 0.2954546 0.2954546), wk = 0.0053476 k( 82) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0053476 k( 83) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0053476 k( 84) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0053476 k( 85) = ( 0.2045454 0.2045455 0.2045455), wk = 0.0053476 k( 86) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0053476 k( 87) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0053476 k( 88) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0053476 k( 89) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0053476 k( 90) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0053476 k( 91) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0053476 k( 92) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0053476 k( 93) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0053476 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 96) = ( 0.0117246 0.0000000 -0.0117246), wk = 0.0053476 k( 97) = ( 0.0234492 -0.0000000 -0.0234492), wk = 0.0053476 k( 98) = ( 0.0351737 0.0000000 -0.0351738), wk = 0.0053476 k( 99) = ( 0.0468983 -0.0000000 -0.0468983), wk = 0.0053476 k( 100) = ( 0.0586229 0.0000000 -0.0586229), wk = 0.0053476 k( 101) = ( 0.0703475 0.0000000 -0.0703475), wk = 0.0053476 k( 102) = ( 0.0820721 0.0000000 -0.0820721), wk = 0.0053476 k( 103) = ( 0.0937967 -0.0000000 -0.0937967), wk = 0.0053476 k( 104) = ( 0.1055213 0.0000000 -0.1055213), wk = 0.0053476 k( 105) = ( 0.1172458 0.0000000 -0.1172458), wk = 0.0053476 k( 106) = ( 0.1289704 0.0000000 -0.1289704), wk = 0.0053476 k( 107) = ( 0.1406950 0.0000000 -0.1406950), wk = 0.0053476 k( 108) = ( 0.1524196 0.0000000 -0.1524196), wk = 0.0053476 k( 109) = ( 0.1641442 0.0000000 -0.1641442), wk = 0.0053476 k( 110) = ( 0.1758688 0.0000000 -0.1758688), wk = 0.0053476 k( 111) = ( 0.1875933 -0.0000000 -0.1875934), wk = 0.0053476 k( 112) = ( 0.1993179 -0.0000000 -0.1993179), wk = 0.0053476 k( 113) = ( 0.2110425 0.0000000 -0.2110425), wk = 0.0053476 k( 114) = ( 0.2227671 0.0000000 -0.2227671), wk = 0.0053476 k( 115) = ( 0.2344917 0.0000000 -0.2344917), wk = 0.0053476 k( 116) = ( 0.2462163 0.0000000 -0.2462163), wk = 0.0053476 k( 117) = ( 0.2579409 0.0000000 -0.2579409), wk = 0.0053476 k( 118) = ( 0.2696654 0.0000000 -0.2696654), wk = 0.0053476 k( 119) = ( 0.2813900 0.0000000 -0.2813900), wk = 0.0053476 k( 120) = ( 0.2931146 0.0000000 -0.2931146), wk = 0.0053476 k( 121) = ( 0.3048392 0.0000000 -0.3048392), wk = 0.0053476 k( 122) = ( 0.3165638 0.0000000 -0.3165638), wk = 0.0053476 k( 123) = ( 0.3282884 0.0000000 -0.3282884), wk = 0.0053476 k( 124) = ( 0.3400129 0.0000000 -0.3400130), wk = 0.0053476 k( 125) = ( 0.3517375 0.0000000 -0.3517375), wk = 0.0053476 k( 126) = ( 0.3634621 0.0000000 -0.3634621), wk = 0.0053476 k( 127) = ( 0.6365379 0.3634621 -0.0000000), wk = 0.0053476 k( 128) = ( 0.6251597 0.3748403 -0.0000000), wk = 0.0053476 k( 129) = ( 0.6137816 0.3862184 -0.0000000), wk = 0.0053476 k( 130) = ( 0.6024034 0.3975966 -0.0000000), wk = 0.0053476 k( 131) = ( 0.5910253 0.4089747 -0.0000000), wk = 0.0053476 k( 132) = ( 0.5796471 0.4203529 -0.0000000), wk = 0.0053476 k( 133) = ( 0.5682689 0.4317311 -0.0000000), wk = 0.0053476 k( 134) = ( 0.5568908 0.4431092 0.0000000), wk = 0.0053476 k( 135) = ( 0.5455126 0.4544874 0.0000000), wk = 0.0053476 k( 136) = ( 0.5341345 0.4658655 -0.0000000), wk = 0.0053476 k( 137) = ( 0.5227563 0.4772437 -0.0000000), wk = 0.0053476 k( 138) = ( 0.5113782 0.4886218 -0.0000000), wk = 0.0053476 k( 139) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 140) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 141) = ( 0.5151709 0.5151709 0.0252138), wk = 0.0053476 k( 142) = ( 0.5303417 0.5303418 0.0504276), wk = 0.0053476 k( 143) = ( 0.5455126 0.5455126 0.0756414), wk = 0.0053476 k( 144) = ( 0.5606835 0.5606835 0.1008552), wk = 0.0053476 k( 145) = ( 0.5758544 0.5758544 0.1260690), wk = 0.0053476 k( 146) = ( 0.5910253 0.5910253 0.1512828), wk = 0.0053476 k( 147) = ( 0.6061961 0.6061961 0.1764966), wk = 0.0053476 k( 148) = ( 0.6213670 0.6213670 0.2017104), wk = 0.0053476 k( 149) = ( 0.6365379 0.6365379 0.2269242), wk = 0.0053476 k( 150) = ( 0.6365379 0.6365379 0.2269242), wk = 0.0053476 k( 151) = ( 0.6297110 0.6297110 0.2405780), wk = 0.0053476 k( 152) = ( 0.6228841 0.6228841 0.2542318), wk = 0.0053476 k( 153) = ( 0.6160572 0.6160572 0.2678856), wk = 0.0053476 k( 154) = ( 0.6092303 0.6092303 0.2815394), wk = 0.0053476 k( 155) = ( 0.6024034 0.6024034 0.2951932), wk = 0.0053476 k( 156) = ( 0.5955765 0.5955765 0.3088470), wk = 0.0053476 k( 157) = ( 0.5887496 0.5887496 0.3225008), wk = 0.0053476 k( 158) = ( 0.5819227 0.5819227 0.3361545), wk = 0.0053476 k( 159) = ( 0.5750958 0.5750958 0.3498083), wk = 0.0053476 k( 160) = ( 0.5682689 0.5682689 0.3634621), wk = 0.0053476 k( 161) = ( 0.5614421 0.5614421 0.3771159), wk = 0.0053476 k( 162) = ( 0.5546151 0.5546152 0.3907697), wk = 0.0053476 k( 163) = ( 0.5477883 0.5477883 0.4044235), wk = 0.0053476 k( 164) = ( 0.5409614 0.5409614 0.4180773), wk = 0.0053476 k( 165) = ( 0.5341345 0.5341345 0.4317311), wk = 0.0053476 k( 166) = ( 0.5273076 0.5273076 0.4453848), wk = 0.0053476 k( 167) = ( 0.5204807 0.5204807 0.4590386), wk = 0.0053476 k( 168) = ( 0.5136538 0.5136538 0.4726924), wk = 0.0053476 k( 169) = ( 0.5068269 0.5068269 0.4863462), wk = 0.0053476 k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 171) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0053476 k( 172) = ( 0.5170672 0.0227164 0.0227164), wk = 0.0053476 k( 173) = ( 0.5341345 0.0454328 0.0454328), wk = 0.0053476 k( 174) = ( 0.5512017 0.0681491 0.0681491), wk = 0.0053476 k( 175) = ( 0.5682689 0.0908655 0.0908655), wk = 0.0053476 k( 176) = ( 0.5853362 0.1135819 0.1135819), wk = 0.0053476 k( 177) = ( 0.6024034 0.1362983 0.1362983), wk = 0.0053476 k( 178) = ( 0.6194707 0.1590147 0.1590147), wk = 0.0053476 k( 179) = ( 0.6365379 0.1817311 0.1817311), wk = 0.0053476 k( 180) = ( 0.6536051 0.2044474 0.2044474), wk = 0.0053476 k( 181) = ( 0.6706724 0.2271638 0.2271638), wk = 0.0053476 k( 182) = ( 0.6877396 0.2498802 0.2498802), wk = 0.0053476 k( 183) = ( 0.7048068 0.2725966 0.2725966), wk = 0.0053476 k( 184) = ( 0.7218741 0.2953130 0.2953130), wk = 0.0053476 k( 185) = ( 0.7389413 0.3180294 0.3180293), wk = 0.0053476 k( 186) = ( 0.7560085 0.3407457 0.3407457), wk = 0.0053476 k( 187) = ( 0.7730758 0.3634621 0.3634621), wk = 0.0053476 Dense grid: 127389 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.96 Mb ( 1016, 62) NL pseudopotentials 0.99 Mb ( 508, 128) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.03 Mb ( 3980) G-vector shells 0.02 Mb ( 3024) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.84 Mb ( 1016, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.24 Mb ( 128, 2, 62) The potential is recalculated from file : ./BiI3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 7.5 secs Computing kpt #: 3 total cpu time spent up to now is 10.3 secs Computing kpt #: 4 total cpu time spent up to now is 13.1 secs Computing kpt #: 5 total cpu time spent up to now is 16.0 secs Computing kpt #: 6 total cpu time spent up to now is 18.9 secs Computing kpt #: 7 total cpu time spent up to now is 21.7 secs Computing kpt #: 8 total cpu time spent up to now is 24.6 secs Computing kpt #: 9 total cpu time spent up to now is 27.5 secs Computing kpt #: 10 total cpu time spent up to now is 30.4 secs Computing kpt #: 11 total cpu time spent up to now is 33.2 secs Computing kpt #: 12 total cpu time spent up to now is 36.2 secs Computing kpt #: 13 total cpu time spent up to now is 39.1 secs Computing kpt #: 14 total cpu time spent up to now is 42.0 secs Computing kpt #: 15 total cpu time spent up to now is 45.0 secs Computing kpt #: 16 total cpu time spent up to now is 47.9 secs Computing kpt #: 17 total cpu time spent up to now is 50.9 secs Computing kpt #: 18 total cpu time spent up to now is 56.2 secs Computing kpt #: 19 total cpu time spent up to now is 59.7 secs Computing kpt #: 20 total cpu time spent up to now is 62.6 secs Computing kpt #: 21 total cpu time spent up to now is 65.6 secs Computing kpt #: 22 total cpu time spent up to now is 68.6 secs Computing kpt #: 23 total cpu time spent up to now is 71.6 secs Computing kpt #: 24 total cpu time spent up to now is 74.6 secs Computing kpt #: 25 total cpu time spent up to now is 77.5 secs Computing kpt #: 26 total cpu time spent up to now is 80.5 secs Computing kpt #: 27 total cpu time spent up to now is 83.5 secs Computing kpt #: 28 total cpu time spent up to now is 86.4 secs Computing kpt #: 29 total cpu time spent up to now is 89.3 secs Computing kpt #: 30 total cpu time spent up to now is 92.3 secs Computing kpt #: 31 total cpu time spent up to now is 95.4 secs Computing kpt #: 32 total cpu time spent up to now is 98.4 secs Computing kpt #: 33 total cpu time spent up to now is 101.4 secs Computing kpt #: 34 total cpu time spent up to now is 104.4 secs Computing kpt #: 35 total cpu time spent up to now is 107.3 secs Computing kpt #: 36 total cpu time spent up to now is 110.3 secs Computing kpt #: 37 total cpu time spent up to now is 113.3 secs Computing kpt #: 38 total cpu time spent up to now is 116.2 secs Computing kpt #: 39 total cpu time spent up to now is 119.2 secs Computing kpt #: 40 total cpu time spent up to now is 122.1 secs Computing kpt #: 41 total cpu time spent up to now is 125.0 secs Computing kpt #: 42 total cpu time spent up to now is 128.0 secs Computing kpt #: 43 total cpu time spent up to now is 130.9 secs Computing kpt #: 44 total cpu time spent up to now is 133.8 secs Computing kpt #: 45 total cpu time spent up to now is 136.8 secs Computing kpt #: 46 total cpu time spent up to now is 139.7 secs Computing kpt #: 47 total cpu time spent up to now is 142.6 secs Computing kpt #: 48 total cpu time spent up to now is 145.5 secs Computing kpt #: 49 total cpu time spent up to now is 148.3 secs Computing kpt #: 50 total cpu time spent up to now is 151.3 secs Computing kpt #: 51 total cpu time spent up to now is 154.1 secs Computing kpt #: 52 total cpu time spent up to now is 157.0 secs Computing kpt #: 53 total cpu time spent up to now is 159.9 secs Computing kpt #: 54 total cpu time spent up to now is 162.8 secs Computing kpt #: 55 total cpu time spent up to now is 165.7 secs Computing kpt #: 56 total cpu time spent up to now is 168.6 secs Computing kpt #: 57 total cpu time spent up to now is 171.5 secs Computing kpt #: 58 total cpu time spent up to now is 174.4 secs Computing kpt #: 59 total cpu time spent up to now is 177.2 secs Computing kpt #: 60 total cpu time spent up to now is 180.1 secs Computing kpt #: 61 total cpu time spent up to now is 182.9 secs Computing kpt #: 62 total cpu time spent up to now is 185.7 secs Computing kpt #: 63 total cpu time spent up to now is 188.6 secs Computing kpt #: 64 total cpu time spent up to now is 191.4 secs Computing kpt #: 65 total cpu time spent up to now is 194.2 secs Computing kpt #: 66 total cpu time spent up to now is 197.0 secs Computing kpt #: 67 total cpu time spent up to now is 199.8 secs Computing kpt #: 68 total cpu time spent up to now is 202.6 secs Computing kpt #: 69 total cpu time spent up to now is 205.3 secs Computing kpt #: 70 total cpu time spent up to now is 208.0 secs Computing kpt #: 71 total cpu time spent up to now is 210.8 secs Computing kpt #: 72 total cpu time spent up to now is 213.5 secs Computing kpt #: 73 total cpu time spent up to now is 216.3 secs Computing kpt #: 74 total cpu time spent up to now is 219.0 secs Computing kpt #: 75 total cpu time spent up to now is 221.8 secs Computing kpt #: 76 total cpu time spent up to now is 224.5 secs Computing kpt #: 77 total cpu time spent up to now is 227.3 secs Computing kpt #: 78 total cpu time spent up to now is 230.0 secs Computing kpt #: 79 total cpu time spent up to now is 232.7 secs Computing kpt #: 80 total cpu time spent up to now is 235.5 secs Computing kpt #: 81 total cpu time spent up to now is 238.3 secs Computing kpt #: 82 total cpu time spent up to now is 241.0 secs Computing kpt #: 83 total cpu time spent up to now is 243.8 secs Computing kpt #: 84 total cpu time spent up to now is 246.6 secs Computing kpt #: 85 total cpu time spent up to now is 249.3 secs Computing kpt #: 86 total cpu time spent up to now is 252.1 secs Computing kpt #: 87 total cpu time spent up to now is 254.9 secs Computing kpt #: 88 total cpu time spent up to now is 257.7 secs Computing kpt #: 89 total cpu time spent up to now is 260.4 secs Computing kpt #: 90 total cpu time spent up to now is 263.2 secs Computing kpt #: 91 total cpu time spent up to now is 266.0 secs Computing kpt #: 92 total cpu time spent up to now is 268.8 secs Computing kpt #: 93 total cpu time spent up to now is 271.5 secs Computing kpt #: 94 total cpu time spent up to now is 274.3 secs Computing kpt #: 95 total cpu time spent up to now is 277.0 secs Computing kpt #: 96 total cpu time spent up to now is 279.8 secs Computing kpt #: 97 total cpu time spent up to now is 282.5 secs Computing kpt #: 98 total cpu time spent up to now is 285.3 secs Computing kpt #: 99 total cpu time spent up to now is 288.2 secs Computing kpt #: 100 total cpu time spent up to now is 291.0 secs Computing kpt #: 101 total cpu time spent up to now is 293.8 secs Computing kpt #: 102 total cpu time spent up to now is 296.7 secs Computing kpt #: 103 total cpu time spent up to now is 299.6 secs Computing kpt #: 104 total cpu time spent up to now is 302.5 secs Computing kpt #: 105 total cpu time spent up to now is 305.4 secs Computing kpt #: 106 total cpu time spent up to now is 308.3 secs Computing kpt #: 107 total cpu time spent up to now is 311.2 secs Computing kpt #: 108 total cpu time spent up to now is 314.1 secs Computing kpt #: 109 total cpu time spent up to now is 317.0 secs Computing kpt #: 110 total cpu time spent up to now is 319.9 secs Computing kpt #: 111 total cpu time spent up to now is 322.9 secs Computing kpt #: 112 total cpu time spent up to now is 325.8 secs Computing kpt #: 113 total cpu time spent up to now is 328.7 secs Computing kpt #: 114 total cpu time spent up to now is 331.7 secs Computing kpt #: 115 total cpu time spent up to now is 334.7 secs Computing kpt #: 116 total cpu time spent up to now is 337.6 secs Computing kpt #: 117 total cpu time spent up to now is 340.5 secs Computing kpt #: 118 total cpu time spent up to now is 343.5 secs Computing kpt #: 119 total cpu time spent up to now is 346.4 secs Computing kpt #: 120 total cpu time spent up to now is 349.4 secs Computing kpt #: 121 total cpu time spent up to now is 352.3 secs Computing kpt #: 122 total cpu time spent up to now is 357.4 secs Computing kpt #: 123 total cpu time spent up to now is 360.4 secs Computing kpt #: 124 total cpu time spent up to now is 363.3 secs Computing kpt #: 125 total cpu time spent up to now is 366.2 secs Computing kpt #: 126 total cpu time spent up to now is 369.1 secs Computing kpt #: 127 total cpu time spent up to now is 372.0 secs Computing kpt #: 128 total cpu time spent up to now is 374.9 secs Computing kpt #: 129 total cpu time spent up to now is 377.8 secs Computing kpt #: 130 total cpu time spent up to now is 380.7 secs Computing kpt #: 131 total cpu time spent up to now is 383.6 secs Computing kpt #: 132 total cpu time spent up to now is 386.5 secs Computing kpt #: 133 total cpu time spent up to now is 389.4 secs Computing kpt #: 134 total cpu time spent up to now is 392.2 secs Computing kpt #: 135 total cpu time spent up to now is 395.1 secs Computing kpt #: 136 total cpu time spent up to now is 398.0 secs Computing kpt #: 137 total cpu time spent up to now is 400.8 secs Computing kpt #: 138 total cpu time spent up to now is 403.7 secs Computing kpt #: 139 total cpu time spent up to now is 406.5 secs Computing kpt #: 140 total cpu time spent up to now is 409.3 secs Computing kpt #: 141 total cpu time spent up to now is 412.1 secs Computing kpt #: 142 total cpu time spent up to now is 415.0 secs Computing kpt #: 143 total cpu time spent up to now is 417.8 secs Computing kpt #: 144 total cpu time spent up to now is 420.7 secs Computing kpt #: 145 total cpu time spent up to now is 423.6 secs Computing kpt #: 146 total cpu time spent up to now is 426.5 secs Computing kpt #: 147 total cpu time spent up to now is 429.4 secs Computing kpt #: 148 total cpu time spent up to now is 432.3 secs Computing kpt #: 149 total cpu time spent up to now is 435.2 secs Computing kpt #: 150 total cpu time spent up to now is 438.1 secs Computing kpt #: 151 total cpu time spent up to now is 441.0 secs Computing kpt #: 152 total cpu time spent up to now is 443.9 secs Computing kpt #: 153 total cpu time spent up to now is 446.8 secs Computing kpt #: 154 total cpu time spent up to now is 449.7 secs Computing kpt #: 155 total cpu time spent up to now is 452.6 secs Computing kpt #: 156 total cpu time spent up to now is 455.5 secs Computing kpt #: 157 total cpu time spent up to now is 458.4 secs Computing kpt #: 158 total cpu time spent up to now is 461.3 secs Computing kpt #: 159 total cpu time spent up to now is 464.1 secs Computing kpt #: 160 total cpu time spent up to now is 466.9 secs Computing kpt #: 161 total cpu time spent up to now is 469.7 secs Computing kpt #: 162 total cpu time spent up to now is 472.6 secs Computing kpt #: 163 total cpu time spent up to now is 475.4 secs Computing kpt #: 164 total cpu time spent up to now is 478.2 secs Computing kpt #: 165 total cpu time spent up to now is 481.0 secs Computing kpt #: 166 total cpu time spent up to now is 483.7 secs Computing kpt #: 167 total cpu time spent up to now is 486.5 secs Computing kpt #: 168 total cpu time spent up to now is 489.3 secs Computing kpt #: 169 total cpu time spent up to now is 492.0 secs Computing kpt #: 170 total cpu time spent up to now is 494.8 secs Computing kpt #: 171 total cpu time spent up to now is 497.7 secs Computing kpt #: 172 total cpu time spent up to now is 500.6 secs Computing kpt #: 173 total cpu time spent up to now is 503.6 secs Computing kpt #: 174 total cpu time spent up to now is 506.6 secs Computing kpt #: 175 total cpu time spent up to now is 509.6 secs Computing kpt #: 176 total cpu time spent up to now is 512.6 secs Computing kpt #: 177 total cpu time spent up to now is 515.6 secs Computing kpt #: 178 total cpu time spent up to now is 518.6 secs Computing kpt #: 179 total cpu time spent up to now is 521.6 secs Computing kpt #: 180 total cpu time spent up to now is 524.5 secs Computing kpt #: 181 total cpu time spent up to now is 527.5 secs Computing kpt #: 182 total cpu time spent up to now is 530.4 secs Computing kpt #: 183 total cpu time spent up to now is 533.4 secs Computing kpt #: 184 total cpu time spent up to now is 536.4 secs Computing kpt #: 185 total cpu time spent up to now is 539.3 secs Computing kpt #: 186 total cpu time spent up to now is 542.2 secs Computing kpt #: 187 total cpu time spent up to now is 545.1 secs ethr = 1.92E-11, avg # of iterations = 23.4 total cpu time spent up to now is 545.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15919 PWs) bands (ev): -10.5255 -10.5255 -9.2262 -9.2262 -9.1060 -9.1060 -9.0801 -9.0801 -8.9900 -8.9900 -8.9824 -8.9824 -7.8615 -7.8615 -6.4603 -6.4603 -1.5543 -1.5543 -1.2293 -1.2293 -1.1388 -1.1388 -0.7699 -0.7699 -0.5809 -0.5809 -0.0443 -0.0443 0.2572 0.2572 1.1207 1.1207 1.1997 1.1997 1.2736 1.2736 1.3027 1.3027 1.4532 1.4532 1.4698 1.4698 1.9852 1.9852 2.0198 2.0198 2.1400 2.1400 2.1522 2.1522 2.2365 2.2365 3.8523 3.8523 4.9395 4.9395 5.3181 5.3181 5.6343 5.6343 6.0751 6.0751 k = 0.0192-0.0145-0.0098 ( 15920 PWs) bands (ev): -10.5247 -10.5247 -9.2260 -9.2260 -9.1075 -9.1075 -9.0816 -9.0816 -8.9899 -8.9899 -8.9824 -8.9824 -7.8589 -7.8589 -6.4608 -6.4608 -1.5538 -1.5538 -1.2288 -1.2288 -1.1401 -1.1401 -0.7689 -0.7689 -0.5795 -0.5795 -0.0441 -0.0441 0.2597 0.2597 1.1185 1.1185 1.1944 1.1944 1.2742 1.2742 1.3006 1.3006 1.4511 1.4511 1.4749 1.4749 1.9843 1.9843 2.0143 2.0143 2.1365 2.1365 2.1579 2.1579 2.2395 2.2395 3.8542 3.8542 4.9385 4.9385 5.3201 5.3201 5.6339 5.6339 6.0758 6.0758 k = 0.0385-0.0290-0.0195 ( 15925 PWs) bands (ev): -10.5224 -10.5224 -9.2252 -9.2252 -9.1128 -9.1128 -9.0856 -9.0856 -8.9898 -8.9898 -8.9824 -8.9824 -7.8512 -7.8512 -6.4622 -6.4622 -1.5524 -1.5524 -1.2272 -1.2272 -1.1435 -1.1435 -0.7663 -0.7663 -0.5752 -0.5752 -0.0435 -0.0435 0.2669 0.2669 1.1110 1.1110 1.1817 1.1817 1.2706 1.2706 1.2977 1.2977 1.4489 1.4489 1.4853 1.4853 1.9786 1.9786 2.0037 2.0037 2.1272 2.1272 2.1712 2.1712 2.2481 2.2481 3.8596 3.8596 4.9358 4.9358 5.3261 5.3261 5.6327 5.6327 6.0777 6.0777 k = 0.0577-0.0435-0.0293 ( 15939 PWs) bands (ev): -10.5185 -10.5185 -9.2241 -9.2241 -9.1229 -9.1229 -9.0903 -9.0903 -8.9896 -8.9896 -8.9825 -8.9825 -7.8385 -7.8385 -6.4645 -6.4645 -1.5501 -1.5501 -1.2250 -1.2250 -1.1484 -1.1484 -0.7626 -0.7626 -0.5678 -0.5678 -0.0425 -0.0425 0.2787 0.2787 1.0963 1.0963 1.1675 1.1675 1.2564 1.2564 1.2990 1.2990 1.4491 1.4491 1.4970 1.4970 1.9622 1.9622 1.9983 1.9983 2.1145 2.1145 2.1856 2.1856 2.2619 2.2619 3.8685 3.8685 4.9313 4.9313 5.3358 5.3358 5.6312 5.6312 6.0806 6.0806 k = 0.0769-0.0579-0.0390 ( 15948 PWs) bands (ev): -10.5132 -10.5132 -9.2224 -9.2224 -9.1386 -9.1386 -9.0947 -9.0947 -8.9897 -8.9897 -8.9827 -8.9827 -7.8212 -7.8212 -6.4678 -6.4678 -1.5472 -1.5472 -1.2226 -1.2226 -1.1532 -1.1532 -0.7589 -0.7589 -0.5571 -0.5571 -0.0410 -0.0410 0.2946 0.2946 1.0736 1.0736 1.1551 1.1551 1.2346 1.2346 1.3019 1.3019 1.4509 1.4509 1.5086 1.5086 1.9395 1.9395 1.9953 1.9953 2.1010 2.1010 2.1971 2.1971 2.2802 2.2802 3.8805 3.8805 4.9252 4.9252 5.3490 5.3490 5.6298 5.6298 6.0843 6.0843 k = 0.0962-0.0724-0.0488 ( 15943 PWs) bands (ev): -10.5063 -10.5063 -9.2204 -9.2204 -9.1591 -9.1591 -9.0987 -9.0987 -8.9903 -8.9903 -8.9829 -8.9829 -7.7998 -7.7998 -6.4720 -6.4720 -1.5438 -1.5438 -1.2213 -1.2213 -1.1561 -1.1561 -0.7561 -0.7561 -0.5429 -0.5429 -0.0389 -0.0389 0.3139 0.3139 1.0447 1.0447 1.1441 1.1441 1.2092 1.2092 1.3042 1.3042 1.4531 1.4531 1.5196 1.5196 1.9154 1.9154 1.9899 1.9899 2.0892 2.0892 2.2046 2.2046 2.3013 2.3013 3.8956 3.8956 4.9176 4.9176 5.3654 5.3654 5.6290 5.6290 6.0882 6.0882 k = 0.1154-0.0869-0.0586 ( 15952 PWs) bands (ev): -10.4979 -10.4979 -9.2182 -9.2182 -9.1834 -9.1834 -9.1026 -9.1026 -8.9913 -8.9913 -8.9831 -8.9831 -7.7747 -7.7747 -6.4772 -6.4772 -1.5401 -1.5401 -1.2221 -1.2221 -1.1550 -1.1550 -0.7548 -0.7548 -0.5255 -0.5255 -0.0361 -0.0361 0.3360 0.3360 1.0121 1.0121 1.1310 1.1310 1.1842 1.1842 1.3054 1.3054 1.4546 1.4546 1.5299 1.5299 1.8918 1.8918 1.9798 1.9798 2.0810 2.0810 2.2087 2.2087 2.3229 2.3229 3.9134 3.9134 4.9088 4.9088 5.3845 5.3845 5.6295 5.6295 6.0919 6.0919 k = 0.1346-0.1014-0.0683 ( 15952 PWs) bands (ev): -10.4881 -10.4881 -9.2187 -9.2187 -9.2079 -9.2079 -9.1065 -9.1065 -8.9930 -8.9930 -8.9832 -8.9832 -7.7464 -7.7464 -6.4834 -6.4834 -1.5364 -1.5364 -1.2252 -1.2252 -1.1488 -1.1488 -0.7553 -0.7553 -0.5054 -0.5054 -0.0328 -0.0328 0.3601 0.3601 0.9784 0.9784 1.1110 1.1110 1.1645 1.1645 1.3055 1.3055 1.4543 1.4543 1.5392 1.5392 1.8698 1.8698 1.9650 1.9650 2.0762 2.0762 2.2101 2.2101 2.3431 2.3431 3.9338 3.9338 4.8989 4.8989 5.4056 5.4056 5.6318 5.6318 6.0948 6.0948 k = 0.1538-0.1159-0.0781 ( 15964 PWs) bands (ev): -10.4768 -10.4768 -9.2437 -9.2437 -9.2102 -9.2102 -9.1105 -9.1105 -8.9951 -8.9951 -8.9835 -8.9835 -7.7153 -7.7153 -6.4907 -6.4907 -1.5331 -1.5331 -1.2298 -1.2298 -1.1378 -1.1378 -0.7574 -0.7574 -0.4834 -0.4834 -0.0289 -0.0289 0.3853 0.3853 0.9449 0.9449 1.0830 1.0830 1.1519 1.1519 1.3046 1.3046 1.4517 1.4517 1.5477 1.5477 1.8500 1.8500 1.9473 1.9473 2.0734 2.0734 2.2095 2.2095 2.3604 2.3604 3.9566 3.9566 4.8882 4.8882 5.4283 5.4283 5.6365 5.6365 6.0964 6.0964 k = 0.1731-0.1304-0.0878 ( 15967 PWs) bands (ev): -10.4641 -10.4641 -9.2762 -9.2762 -9.2069 -9.2069 -9.1145 -9.1145 -8.9977 -8.9977 -8.9839 -8.9839 -7.6821 -7.6821 -6.4989 -6.4989 -1.5304 -1.5304 -1.2342 -1.2342 -1.1230 -1.1230 -0.7610 -0.7610 -0.4605 -0.4605 -0.0245 -0.0245 0.4105 0.4105 0.9131 0.9131 1.0510 1.0510 1.1433 1.1433 1.3030 1.3030 1.4462 1.4462 1.5554 1.5554 1.8330 1.8330 1.9285 1.9285 2.0711 2.0711 2.2071 2.2071 2.3739 2.3739 3.9816 3.9816 4.8767 4.8767 5.4517 5.4517 5.6441 5.6441 6.0961 6.0961 k = 0.1923-0.1449-0.0976 ( 15957 PWs) bands (ev): -10.4500 -10.4500 -9.3108 -9.3108 -9.2031 -9.2031 -9.1184 -9.1184 -9.0006 -9.0006 -8.9845 -8.9845 -7.6471 -7.6471 -6.5081 -6.5081 -1.5286 -1.5286 -1.2374 -1.2374 -1.1052 -1.1052 -0.7659 -0.7659 -0.4376 -0.4376 -0.0195 -0.0195 0.4344 0.4344 0.8839 0.8839 1.0186 1.0186 1.1363 1.1363 1.3006 1.3006 1.4376 1.4376 1.5621 1.5621 1.8190 1.8190 1.9102 1.9102 2.0679 2.0679 2.2032 2.2032 2.3829 2.3829 4.0087 4.0087 4.8647 4.8647 5.4755 5.4755 5.6547 5.6547 6.0935 6.0935 k = 0.2115-0.1594-0.1074 ( 15950 PWs) bands (ev): -10.4346 -10.4346 -9.3468 -9.3468 -9.1990 -9.1990 -9.1223 -9.1223 -9.0037 -9.0037 -8.9854 -8.9854 -7.6108 -7.6108 -6.5184 -6.5184 -1.5280 -1.5280 -1.2384 -1.2384 -1.0849 -1.0849 -0.7718 -0.7718 -0.4158 -0.4158 -0.0138 -0.0138 0.4556 0.4556 0.8578 0.8578 0.9885 0.9885 1.1297 1.1297 1.2979 1.2979 1.4258 1.4258 1.5679 1.5679 1.8080 1.8080 1.8934 1.8934 2.0634 2.0634 2.1981 2.1981 2.3874 2.3874 4.0376 4.0376 4.8521 4.8521 5.4991 5.4991 5.6686 5.6686 6.0882 6.0882 k = 0.2308-0.1738-0.1171 ( 15951 PWs) bands (ev): -10.4180 -10.4180 -9.3839 -9.3839 -9.1947 -9.1947 -9.1260 -9.1260 -9.0070 -9.0070 -8.9866 -8.9866 -7.5735 -7.5735 -6.5297 -6.5297 -1.5286 -1.5286 -1.2367 -1.2367 -1.0626 -1.0626 -0.7784 -0.7784 -0.3962 -0.3962 -0.0074 -0.0074 0.4722 0.4722 0.8350 0.8350 0.9634 0.9634 1.1231 1.1231 1.2950 1.2950 1.4111 1.4111 1.5729 1.5729 1.7992 1.7992 1.8793 1.8793 2.0571 2.0571 2.1919 2.1919 2.3874 2.3874 4.0679 4.0679 4.8391 4.8391 5.5223 5.5223 5.6855 5.6855 6.0803 6.0803 k = 0.2500-0.1883-0.1269 ( 15958 PWs) bands (ev): -10.4001 -10.4001 -9.4216 -9.4216 -9.1903 -9.1903 -9.1293 -9.1293 -9.0104 -9.0104 -8.9882 -8.9882 -7.5357 -7.5357 -6.5420 -6.5420 -1.5304 -1.5304 -1.2321 -1.2321 -1.0390 -1.0390 -0.7854 -0.7854 -0.3798 -0.3798 0.0003 0.0003 0.4829 0.4829 0.8151 0.8151 0.9457 0.9457 1.1162 1.1162 1.2921 1.2921 1.3942 1.3942 1.5771 1.5771 1.7911 1.7911 1.8690 1.8690 2.0489 2.0489 2.1848 2.1848 2.3832 2.3832 4.0993 4.0993 4.8257 4.8257 5.5452 5.5452 5.7049 5.7049 6.0697 6.0697 k = 0.2692-0.2028-0.1366 ( 15949 PWs) bands (ev): -10.3811 -10.3811 -9.4598 -9.4598 -9.1860 -9.1860 -9.1322 -9.1322 -9.0138 -9.0138 -8.9901 -8.9901 -7.4976 -7.4976 -6.5552 -6.5552 -1.5335 -1.5335 -1.2244 -1.2244 -1.0145 -1.0145 -0.7927 -0.7927 -0.3675 -0.3675 0.0094 0.0094 0.4867 0.4867 0.7973 0.7973 0.9376 0.9376 1.1089 1.1089 1.2896 1.2896 1.3755 1.3755 1.5807 1.5807 1.7825 1.7825 1.8633 1.8633 2.0388 2.0388 2.1768 2.1768 2.3755 2.3755 4.1313 4.1313 4.8118 4.8118 5.5679 5.5679 5.7262 5.7262 6.0567 6.0567 k = 0.2885-0.2173-0.1464 ( 15952 PWs) bands (ev): -10.3610 -10.3610 -9.4980 -9.4980 -9.1821 -9.1821 -9.1345 -9.1345 -9.0171 -9.0171 -8.9924 -8.9924 -7.4597 -7.4597 -6.5693 -6.5693 -1.5375 -1.5375 -1.2138 -1.2138 -0.9898 -0.9898 -0.7998 -0.7998 -0.3601 -0.3601 0.0203 0.0203 0.4837 0.4837 0.7807 0.7807 0.9397 0.9397 1.1015 1.1015 1.2873 1.2873 1.3562 1.3562 1.5837 1.5837 1.7726 1.7726 1.8622 1.8622 2.0270 2.0270 2.1683 2.1683 2.3651 2.3651 4.1634 4.1634 4.7975 4.7975 5.5908 5.5908 5.7487 5.7487 6.0419 6.0419 k = 0.3077-0.2318-0.1562 ( 15959 PWs) bands (ev): -10.3401 -10.3401 -9.5361 -9.5361 -9.1786 -9.1786 -9.1360 -9.1360 -9.0203 -9.0203 -8.9949 -8.9949 -7.4223 -7.4223 -6.5841 -6.5841 -1.5421 -1.5421 -1.2006 -1.2006 -0.9657 -0.9657 -0.8063 -0.8063 -0.3577 -0.3577 0.0328 0.0328 0.4754 0.4754 0.7652 0.7652 0.9506 0.9506 1.0941 1.0941 1.2849 1.2849 1.3371 1.3371 1.5862 1.5862 1.7614 1.7614 1.8649 1.8649 2.0136 2.0136 2.1596 2.1596 2.3527 2.3527 4.1950 4.1950 4.7826 4.7826 5.6137 5.6137 5.7719 5.7719 6.0259 6.0259 k = 0.3269-0.2463-0.1659 ( 15955 PWs) bands (ev): -10.3185 -10.3185 -9.5735 -9.5735 -9.1759 -9.1759 -9.1365 -9.1365 -9.0233 -9.0233 -8.9978 -8.9978 -7.3858 -7.3858 -6.5995 -6.5995 -1.5473 -1.5473 -1.1850 -1.1850 -0.9430 -0.9430 -0.8119 -0.8119 -0.3601 -0.3601 0.0467 0.0467 0.4637 0.4637 0.7509 0.7509 0.9675 0.9675 1.0873 1.0873 1.2813 1.2813 1.3205 1.3205 1.5883 1.5883 1.7498 1.7498 1.8697 1.8697 1.9993 1.9993 2.1507 2.1507 2.3391 2.3391 4.2257 4.2257 4.7674 4.7674 5.6368 5.6368 5.7952 5.7952 6.0095 6.0095 k = 0.3462-0.2608-0.1757 ( 15951 PWs) bands (ev): -10.2964 -10.2964 -9.6101 -9.6101 -9.1741 -9.1741 -9.1358 -9.1358 -9.0260 -9.0260 -9.0009 -9.0009 -7.3506 -7.3506 -6.6154 -6.6154 -1.5525 -1.5525 -1.1676 -1.1676 -0.9228 -0.9228 -0.8161 -0.8161 -0.3668 -0.3668 0.0611 0.0611 0.4510 0.4510 0.7376 0.7376 0.9875 0.9875 1.0819 1.0819 1.2736 1.2736 1.3094 1.3094 1.5899 1.5899 1.7382 1.7382 1.8752 1.8752 1.9846 1.9846 2.1421 2.1421 2.3251 2.3251 4.2549 4.2549 4.7518 4.7518 5.6597 5.6597 5.8178 5.8178 5.9941 5.9941 k = 0.3654-0.2752-0.1854 ( 15936 PWs) bands (ev): -10.2740 -10.2740 -9.6455 -9.6455 -9.1732 -9.1732 -9.1341 -9.1341 -9.0284 -9.0284 -9.0042 -9.0042 -7.3171 -7.3171 -6.6313 -6.6313 -1.5577 -1.5577 -1.1489 -1.1489 -0.9061 -0.9061 -0.8183 -0.8183 -0.3765 -0.3765 0.0749 0.0749 0.4396 0.4396 0.7249 0.7249 1.0072 1.0072 1.0793 1.0793 1.2611 1.2611 1.3051 1.3051 1.5912 1.5912 1.7270 1.7270 1.8798 1.8798 1.9708 1.9708 2.1341 2.1341 2.3114 2.3114 4.2824 4.2824 4.7362 4.7362 5.6820 5.6820 5.8386 5.8386 5.9813 5.9813 k = 0.3846-0.2897-0.1952 ( 15936 PWs) bands (ev): -10.2519 -10.2519 -9.6790 -9.6790 -9.1731 -9.1731 -9.1316 -9.1316 -9.0304 -9.0304 -9.0076 -9.0076 -7.2859 -7.2859 -6.6471 -6.6471 -1.5625 -1.5625 -1.1296 -1.1296 -0.8933 -0.8933 -0.8185 -0.8185 -0.3880 -0.3880 0.0870 0.0870 0.4313 0.4313 0.7121 0.7121 1.0232 1.0232 1.0811 1.0811 1.2474 1.2474 1.3045 1.3045 1.5927 1.5927 1.7163 1.7163 1.8821 1.8821 1.9591 1.9591 2.1270 2.1270 2.2985 2.2985 4.3077 4.3077 4.7206 4.7206 5.7032 5.7032 5.8550 5.8550 5.9740 5.9740 k = 0.4038-0.3042-0.2049 ( 15935 PWs) bands (ev): -10.2305 -10.2305 -9.7102 -9.7102 -9.1734 -9.1734 -9.1288 -9.1288 -9.0321 -9.0321 -9.0110 -9.0110 -7.2576 -7.2576 -6.6621 -6.6621 -1.5669 -1.5669 -1.1106 -1.1106 -0.8842 -0.8842 -0.8174 -0.8174 -0.3999 -0.3999 0.0964 0.0964 0.4274 0.4274 0.6990 0.6990 1.0333 1.0333 1.0877 1.0877 1.2355 1.2355 1.3052 1.3052 1.5947 1.5947 1.7059 1.7059 1.8808 1.8808 1.9511 1.9511 2.1209 2.1209 2.2869 2.2869 4.3305 4.3305 4.7056 4.7056 5.7231 5.7231 5.8636 5.8636 5.9762 5.9762 k = 0.4231-0.3187-0.2147 ( 15937 PWs) bands (ev): -10.2105 -10.2105 -9.7383 -9.7383 -9.1739 -9.1739 -9.1259 -9.1259 -9.0332 -9.0332 -9.0142 -9.0142 -7.2328 -7.2328 -6.6759 -6.6759 -1.5707 -1.5707 -1.0929 -1.0929 -0.8773 -0.8773 -0.8168 -0.8168 -0.4109 -0.4109 0.1026 0.1026 0.4283 0.4283 0.6855 0.6855 1.0392 1.0392 1.0955 1.0955 1.2275 1.2275 1.3059 1.3059 1.5981 1.5981 1.6956 1.6956 1.8762 1.8762 1.9469 1.9469 2.1161 2.1161 2.2769 2.2769 4.3504 4.3504 4.6918 4.6918 5.7413 5.7413 5.8633 5.8633 5.9890 5.9890 k = 0.4423-0.3332-0.2245 ( 15939 PWs) bands (ev): -10.1929 -10.1929 -9.7622 -9.7622 -9.1744 -9.1744 -9.1233 -9.1233 -9.0339 -9.0339 -9.0172 -9.0172 -7.2123 -7.2123 -6.6877 -6.6877 -1.5737 -1.5737 -1.0775 -1.0775 -0.8710 -0.8710 -0.8180 -0.8180 -0.4201 -0.4201 0.1059 0.1059 0.4332 0.4332 0.6721 0.6721 1.0434 1.0434 1.1007 1.1007 1.2243 1.2243 1.3059 1.3059 1.6031 1.6031 1.6850 1.6850 1.8700 1.8700 1.9453 1.9453 2.1125 2.1125 2.2688 2.2688 4.3668 4.3668 4.6797 4.6797 5.7575 5.7575 5.8569 5.8569 6.0093 6.0093 k = 0.4615-0.3477-0.2342 ( 15932 PWs) bands (ev): -10.1789 -10.1789 -9.7807 -9.7807 -9.1748 -9.1748 -9.1213 -9.1213 -9.0342 -9.0342 -9.0197 -9.0197 -7.1968 -7.1968 -6.6968 -6.6968 -1.5759 -1.5759 -1.0655 -1.0655 -0.8646 -0.8646 -0.8215 -0.8215 -0.4269 -0.4269 0.1072 0.1072 0.4399 0.4399 0.6602 0.6602 1.0471 1.0471 1.1019 1.1019 1.2250 1.2250 1.3052 1.3052 1.6096 1.6096 1.6745 1.6745 1.8643 1.8643 1.9451 1.9451 2.1102 2.1102 2.2629 2.2629 4.3793 4.3793 4.6702 4.6702 5.7713 5.7713 5.8482 5.8482 6.0325 6.0325 k = 0.4808-0.3622-0.2440 ( 15935 PWs) bands (ev): -10.1698 -10.1698 -9.7926 -9.7926 -9.1751 -9.1751 -9.1200 -9.1200 -9.0342 -9.0342 -9.0213 -9.0213 -7.1872 -7.1872 -6.7027 -6.7027 -1.5773 -1.5773 -1.0580 -1.0580 -0.8585 -0.8585 -0.8262 -0.8262 -0.4309 -0.4309 0.1074 0.1074 0.4457 0.4457 0.6516 0.6516 1.0501 1.0501 1.1009 1.1009 1.2273 1.2273 1.3042 1.3042 1.6162 1.6162 1.6655 1.6655 1.8603 1.8603 1.9451 1.9451 2.1089 2.1089 2.2593 2.2593 4.3871 4.3871 4.6640 4.6640 5.7815 5.7815 5.8404 5.8404 6.0536 6.0536 k = 0.5000-0.3767-0.2537 ( 15938 PWs) bands (ev): -10.1667 -10.1667 -9.7967 -9.7967 -9.1753 -9.1753 -9.1195 -9.1195 -9.0342 -9.0342 -9.0219 -9.0219 -7.1840 -7.1840 -6.7047 -6.7047 -1.5778 -1.5778 -1.0554 -1.0554 -0.8555 -0.8555 -0.8287 -0.8287 -0.4322 -0.4322 0.1073 0.1073 0.4481 0.4481 0.6485 0.6485 1.0513 1.0513 1.1002 1.1002 1.2284 1.2284 1.3038 1.3038 1.6193 1.6193 1.6615 1.6615 1.8590 1.8590 1.9452 1.9452 2.1085 2.1085 2.2580 2.2580 4.3898 4.3898 4.6619 4.6619 5.7855 5.7855 5.8370 5.8370 6.0635 6.0635 k = 0.5000-0.3767-0.2537 ( 15938 PWs) bands (ev): -10.1667 -10.1667 -9.7967 -9.7967 -9.1753 -9.1753 -9.1195 -9.1195 -9.0342 -9.0342 -9.0219 -9.0219 -7.1840 -7.1840 -6.7047 -6.7047 -1.5778 -1.5778 -1.0554 -1.0554 -0.8555 -0.8555 -0.8287 -0.8287 -0.4322 -0.4322 0.1073 0.1073 0.4481 0.4481 0.6485 0.6485 1.0513 1.0513 1.1002 1.1002 1.2284 1.2284 1.3038 1.3038 1.6193 1.6193 1.6615 1.6615 1.8590 1.8590 1.9452 1.9452 2.1085 2.1085 2.2580 2.2580 4.3898 4.3898 4.6619 4.6619 5.7855 5.7855 5.8370 5.8370 6.0635 6.0635 k = 0.5000-0.3617-0.2759 ( 15926 PWs) bands (ev): -10.1657 -10.1657 -9.7974 -9.7974 -9.1765 -9.1765 -9.1192 -9.1192 -9.0374 -9.0374 -9.0186 -9.0186 -7.1822 -7.1822 -6.7058 -6.7058 -1.5758 -1.5758 -1.0577 -1.0577 -0.8672 -0.8672 -0.8161 -0.8161 -0.4317 -0.4317 0.1068 0.1068 0.4458 0.4458 0.6499 0.6499 1.0482 1.0482 1.1015 1.1015 1.2307 1.2307 1.3036 1.3036 1.6146 1.6146 1.6667 1.6667 1.8572 1.8572 1.9473 1.9473 2.1087 2.1087 2.2569 2.2569 4.3895 4.3895 4.6611 4.6611 5.7815 5.7815 5.8399 5.8399 6.0599 6.0599 k = 0.5000-0.3467-0.2981 ( 15930 PWs) bands (ev): -10.1628 -10.1628 -9.7997 -9.7997 -9.1802 -9.1802 -9.1182 -9.1182 -9.0432 -9.0432 -9.0126 -9.0126 -7.1768 -7.1768 -6.7092 -6.7092 -1.5700 -1.5700 -1.0643 -1.0643 -0.8858 -0.8858 -0.7949 -0.7949 -0.4302 -0.4302 0.1055 0.1055 0.4396 0.4396 0.6537 0.6537 1.0400 1.0400 1.1043 1.1043 1.2374 1.2374 1.3032 1.3032 1.6045 1.6045 1.6781 1.6781 1.8523 1.8523 1.9530 1.9530 2.1094 2.1094 2.2535 2.2535 4.3887 4.3887 4.6588 4.6588 5.7712 5.7712 5.8467 5.8467 6.0518 6.0518 k = 0.5000-0.3318-0.3203 ( 15934 PWs) bands (ev): -10.1580 -10.1580 -9.8035 -9.8035 -9.1861 -9.1861 -9.1167 -9.1167 -9.0492 -9.0492 -9.0061 -9.0061 -7.1680 -7.1680 -6.7149 -6.7149 -1.5603 -1.5603 -1.0747 -1.0747 -0.9050 -0.9050 -0.7717 -0.7717 -0.4282 -0.4282 0.1033 0.1033 0.4304 0.4304 0.6590 0.6590 1.0290 1.0290 1.1068 1.1068 1.2476 1.2476 1.3028 1.3028 1.5934 1.5934 1.6914 1.6914 1.8455 1.8455 1.9607 1.9607 2.1108 2.1108 2.2483 2.2483 4.3873 4.3873 4.6550 4.6550 5.7577 5.7577 5.8548 5.8548 6.0432 6.0432 k = 0.5000-0.3168-0.3425 ( 15942 PWs) bands (ev): -10.1513 -10.1513 -9.8090 -9.8090 -9.1936 -9.1936 -9.1147 -9.1147 -9.0550 -9.0550 -9.0000 -9.0000 -7.1558 -7.1558 -6.7229 -6.7229 -1.5469 -1.5469 -1.0882 -1.0882 -0.9240 -0.9240 -0.7476 -0.7476 -0.4264 -0.4264 0.1008 0.1008 0.4194 0.4194 0.6646 0.6646 1.0169 1.0169 1.1082 1.1082 1.2600 1.2600 1.3028 1.3028 1.5828 1.5828 1.7048 1.7048 1.8376 1.8376 1.9691 1.9691 2.1130 2.1130 2.2416 2.2416 4.3854 4.3854 4.6499 4.6499 5.7425 5.7425 5.8631 5.8631 6.0364 6.0364 k = 0.5000-0.3019-0.3647 ( 15936 PWs) bands (ev): -10.1426 -10.1426 -9.8161 -9.8161 -9.2022 -9.2022 -9.1124 -9.1124 -9.0606 -9.0606 -8.9943 -8.9943 -7.1404 -7.1404 -6.7331 -6.7331 -1.5298 -1.5298 -1.1040 -1.1040 -0.9430 -0.9430 -0.7229 -0.7229 -0.4254 -0.4254 0.0983 0.0983 0.4076 0.4076 0.6699 0.6699 1.0045 1.0045 1.1079 1.1079 1.2720 1.2720 1.3051 1.3051 1.5735 1.5735 1.7175 1.7175 1.8292 1.8292 1.9769 1.9769 2.1165 2.1165 2.2342 2.2342 4.3829 4.3829 4.6434 4.6434 5.7268 5.7268 5.8713 5.8713 6.0320 6.0320 k = 0.5000-0.2869-0.3869 ( 15928 PWs) bands (ev): -10.1321 -10.1321 -9.8251 -9.8251 -9.2116 -9.2116 -9.1099 -9.1099 -9.0660 -9.0660 -8.9892 -8.9892 -7.1220 -7.1220 -6.7454 -6.7454 -1.5092 -1.5092 -1.1214 -1.1214 -0.9620 -0.9620 -0.6980 -0.6980 -0.4262 -0.4262 0.0965 0.0965 0.3956 0.3956 0.6742 0.6742 0.9924 0.9924 1.1058 1.1058 1.2799 1.2799 1.3126 1.3126 1.5658 1.5658 1.7289 1.7289 1.8207 1.8207 1.9833 1.9833 2.1212 2.1212 2.2265 2.2265 4.3799 4.3799 4.6359 4.6359 5.7114 5.7114 5.8793 5.8793 6.0303 6.0303 k = 0.5000-0.2720-0.4091 ( 15916 PWs) bands (ev): -10.1197 -10.1197 -9.8358 -9.8358 -9.2211 -9.2211 -9.1071 -9.1071 -9.0714 -9.0714 -8.9848 -8.9848 -7.1010 -7.1010 -6.7600 -6.7600 -1.4852 -1.4852 -1.1398 -1.1398 -0.9809 -0.9809 -0.6732 -0.6732 -0.4295 -0.4295 0.0960 0.0960 0.3836 0.3836 0.6774 0.6774 0.9811 0.9811 1.1017 1.1017 1.2825 1.2825 1.3257 1.3257 1.5599 1.5599 1.7387 1.7387 1.8122 1.8122 1.9877 1.9877 2.1273 2.1273 2.2190 2.2190 4.3768 4.3768 4.6274 4.6274 5.6971 5.6971 5.8872 5.8872 6.0308 6.0308 k = 0.5000-0.2570-0.4313 ( 15934 PWs) bands (ev): -10.1054 -10.1054 -9.8484 -9.8484 -9.2303 -9.2303 -9.1042 -9.1042 -9.0766 -9.0766 -8.9810 -8.9810 -7.0775 -7.0775 -6.7767 -6.7767 -1.4580 -1.4580 -1.1586 -1.1586 -0.9996 -0.9996 -0.6485 -0.6485 -0.4357 -0.4357 0.0974 0.0974 0.3717 0.3717 0.6795 0.6795 0.9707 0.9707 1.0954 1.0954 1.2829 1.2829 1.3411 1.3411 1.5556 1.5556 1.7469 1.7469 1.8040 1.8040 1.9904 1.9904 2.1341 2.1341 2.2122 2.2122 4.3737 4.3737 4.6181 4.6181 5.6845 5.6845 5.8953 5.8953 6.0332 6.0332 k = 0.5000-0.2421-0.4535 ( 15936 PWs) bands (ev): -10.0893 -10.0893 -9.8629 -9.8629 -9.2389 -9.2389 -9.1016 -9.1016 -9.0815 -9.0815 -8.9778 -8.9778 -7.0519 -7.0519 -6.7954 -6.7954 -1.4280 -1.4280 -1.1774 -1.1774 -1.0180 -1.0180 -0.6244 -0.6244 -0.4452 -0.4452 0.1008 0.1008 0.3599 0.3599 0.6808 0.6808 0.9615 0.9615 1.0870 1.0870 1.2828 1.2828 1.3563 1.3563 1.5527 1.5527 1.7533 1.7533 1.7963 1.7963 1.9915 1.9915 2.1410 2.1410 2.2063 2.2063 4.3713 4.3713 4.6084 4.6084 5.6741 5.6741 5.9035 5.9035 6.0369 6.0369 k = 0.5000-0.2271-0.4757 ( 15926 PWs) bands (ev): -10.0714 -10.0714 -9.8793 -9.8793 -9.2465 -9.2465 -9.1003 -9.1003 -9.0852 -9.0852 -8.9752 -8.9752 -7.0244 -7.0244 -6.8162 -6.8162 -1.3956 -1.3956 -1.1958 -1.1958 -1.0359 -1.0359 -0.6011 -0.6011 -0.4577 -0.4577 0.1064 0.1064 0.3480 0.3480 0.6813 0.6813 0.9532 0.9532 1.0769 1.0769 1.2830 1.2830 1.3700 1.3700 1.5509 1.5509 1.7582 1.7582 1.7893 1.7893 1.9916 1.9916 2.1469 2.1469 2.2014 2.2014 4.3699 4.3699 4.5984 4.5984 5.6664 5.6664 5.9118 5.9118 6.0415 6.0415 k = 0.5000-0.2122-0.4979 ( 15926 PWs) bands (ev): -10.0518 -10.0518 -9.8976 -9.8976 -9.2529 -9.2529 -9.1024 -9.1024 -9.0857 -9.0857 -8.9730 -8.9730 -6.9954 -6.9954 -6.8390 -6.8390 -1.3618 -1.3618 -1.2129 -1.2129 -1.0531 -1.0531 -0.5795 -0.5795 -0.4724 -0.4724 0.1136 0.1136 0.3364 0.3364 0.6811 0.6811 0.9458 0.9458 1.0656 1.0656 1.2838 1.2838 1.3815 1.3815 1.5496 1.5496 1.7618 1.7618 1.7836 1.7836 1.9910 1.9910 2.1509 2.1509 2.1979 2.1979 4.3702 4.3702 4.5884 4.5884 5.6616 5.6616 5.9199 5.9199 6.0466 6.0466 k = 0.5000-0.1972-0.5201 ( 15922 PWs) bands (ev): -10.0304 -10.0304 -9.9175 -9.9175 -9.2580 -9.2580 -9.1077 -9.1077 -9.0832 -9.0832 -8.9713 -8.9713 -6.9652 -6.9652 -6.8635 -6.8635 -1.3285 -1.3285 -1.2273 -1.2273 -1.0692 -1.0692 -0.5618 -0.5618 -0.4865 -0.4865 0.1216 0.1216 0.3253 0.3253 0.6804 0.6804 0.9389 0.9389 1.0540 1.0540 1.2849 1.2849 1.3904 1.3904 1.5482 1.5482 1.7635 1.7635 1.7803 1.7803 1.9901 1.9901 2.1521 2.1521 2.1958 2.1958 4.3726 4.3726 4.5788 4.5788 5.6598 5.6598 5.9277 5.9277 6.0518 6.0518 k = 0.5000-0.1823-0.5423 ( 15934 PWs) bands (ev): -10.0073 -10.0073 -9.9389 -9.9389 -9.2617 -9.2617 -9.1147 -9.1147 -9.0793 -9.0793 -8.9699 -8.9699 -6.9346 -6.9346 -6.8894 -6.8894 -1.3022 -1.3022 -1.2332 -1.2332 -1.0835 -1.0835 -0.5547 -0.5547 -0.4930 -0.4930 0.1292 0.1292 0.3157 0.3157 0.6793 0.6793 0.9319 0.9319 1.0431 1.0431 1.2863 1.2863 1.3969 1.3969 1.5459 1.5459 1.7624 1.7624 1.7808 1.7808 1.9890 1.9890 2.1504 2.1504 2.1948 2.1948 4.3774 4.3774 4.5699 4.5699 5.6613 5.6613 5.9348 5.9348 6.0570 6.0570 k = 0.5000-0.1673-0.5645 ( 15940 PWs) bands (ev): -9.9832 -9.9832 -9.9613 -9.9613 -9.2639 -9.2639 -9.1227 -9.1227 -9.0748 -9.0748 -8.9688 -8.9688 -6.9222 -6.9222 -6.8982 -6.8982 -1.2953 -1.2953 -1.2197 -1.2197 -1.0948 -1.0948 -0.5650 -0.5650 -0.4844 -0.4844 0.1349 0.1349 0.3085 0.3085 0.6778 0.6778 0.9246 0.9246 1.0338 1.0338 1.2874 1.2874 1.4011 1.4011 1.5425 1.5425 1.7588 1.7588 1.7845 1.7845 1.9881 1.9881 2.1463 2.1463 2.1945 2.1945 4.3846 4.3846 4.5623 4.5623 5.6657 5.6657 5.9410 5.9410 6.0619 6.0619 k = 0.5000-0.1524-0.5867 ( 15948 PWs) bands (ev): -9.9870 -9.9870 -9.9551 -9.9551 -9.2647 -9.2647 -9.1313 -9.1313 -9.0700 -9.0700 -8.9678 -8.9678 -6.9502 -6.9502 -6.8678 -6.8678 -1.3038 -1.3038 -1.1948 -1.1948 -1.0992 -1.0992 -0.5858 -0.5858 -0.4671 -0.4671 0.1370 0.1370 0.3049 0.3049 0.6761 0.6761 0.9167 0.9167 1.0266 1.0266 1.2876 1.2876 1.4035 1.4035 1.5380 1.5380 1.7541 1.7541 1.7896 1.7896 1.9876 1.9876 2.1404 2.1404 2.1943 2.1943 4.3936 4.3936 4.5568 4.5568 5.6730 5.6730 5.9463 5.9463 6.0664 6.0664 k = 0.5000-0.1374-0.6089 ( 15944 PWs) bands (ev): -10.0118 -10.0118 -9.9275 -9.9275 -9.2641 -9.2641 -9.1406 -9.1406 -9.0649 -9.0649 -8.9670 -8.9670 -6.9817 -6.9817 -6.8353 -6.8353 -1.3170 -1.3170 -1.1777 -1.1777 -1.0890 -1.0890 -0.6109 -0.6109 -0.4469 -0.4469 0.1345 0.1345 0.3054 0.3054 0.6743 0.6743 0.9085 0.9085 1.0217 1.0217 1.2861 1.2861 1.4046 1.4046 1.5327 1.5327 1.7485 1.7485 1.7949 1.7949 1.9877 1.9877 2.1335 2.1335 2.1942 2.1942 4.4031 4.4031 4.5546 4.5546 5.6828 5.6828 5.9508 5.9508 6.0703 6.0703 k = 0.5000-0.1225-0.6311 ( 15928 PWs) bands (ev): -10.0376 -10.0376 -9.8980 -9.8980 -9.2622 -9.2622 -9.1503 -9.1503 -9.0596 -9.0596 -8.9664 -8.9664 -7.0150 -7.0150 -6.8027 -6.8027 -1.3310 -1.3310 -1.1751 -1.1751 -1.0613 -1.0613 -0.6380 -0.6380 -0.4255 -0.4255 0.1275 0.1275 0.3097 0.3097 0.6727 0.6727 0.9007 0.9007 1.0190 1.0190 1.2819 1.2819 1.4048 1.4048 1.5275 1.5275 1.7423 1.7423 1.7992 1.7992 1.9883 1.9883 2.1261 2.1261 2.1944 2.1944 4.4115 4.4115 4.5573 4.5573 5.6945 5.6945 5.9547 5.9547 6.0733 6.0733 k = 0.5000-0.1075-0.6533 ( 15934 PWs) bands (ev): -10.0640 -10.0640 -9.8671 -9.8671 -9.2593 -9.2593 -9.1604 -9.1604 -9.0542 -9.0542 -8.9658 -8.9658 -7.0499 -7.0499 -6.7702 -6.7702 -1.3451 -1.3451 -1.1804 -1.1804 -1.0247 -1.0247 -0.6660 -0.6660 -0.4035 -0.4035 0.1167 0.1167 0.3167 0.3167 0.6715 0.6715 0.8937 0.8937 1.0181 1.0181 1.2741 1.2741 1.4046 1.4046 1.5231 1.5231 1.7355 1.7355 1.8017 1.8017 1.9891 1.9891 2.1189 2.1189 2.1955 2.1955 4.4164 4.4164 4.5667 4.5667 5.7073 5.7073 5.9588 5.9588 6.0752 6.0752 k = 0.5000-0.0925-0.6755 ( 15920 PWs) bands (ev): -10.0908 -10.0908 -9.8347 -9.8347 -9.2553 -9.2553 -9.1708 -9.1708 -9.0488 -9.0488 -8.9654 -8.9654 -7.0862 -7.0862 -6.7381 -6.7381 -1.3587 -1.3587 -1.1878 -1.1878 -0.9857 -0.9857 -0.6943 -0.6943 -0.3810 -0.3810 0.1036 0.1036 0.3251 0.3251 0.6711 0.6711 0.8880 0.8880 1.0187 1.0187 1.2621 1.2621 1.4041 1.4041 1.5201 1.5201 1.7283 1.7283 1.8021 1.8021 1.9893 1.9893 2.1129 2.1129 2.1981 2.1981 4.4165 4.4165 4.5836 4.5836 5.7201 5.7201 5.9638 5.9638 6.0758 6.0758 k = 0.7731 0.0436-0.3395 ( 15920 PWs) bands (ev): -10.0908 -10.0908 -9.8347 -9.8347 -9.2553 -9.2553 -9.1708 -9.1708 -9.0488 -9.0488 -8.9654 -8.9654 -7.0862 -7.0862 -6.7381 -6.7381 -1.3587 -1.3587 -1.1878 -1.1878 -0.9857 -0.9857 -0.6943 -0.6943 -0.3810 -0.3810 0.1036 0.1036 0.3251 0.3251 0.6711 0.6711 0.8880 0.8880 1.0187 1.0187 1.2621 1.2621 1.4041 1.4041 1.5201 1.5201 1.7283 1.7283 1.8021 1.8021 1.9893 1.9893 2.1129 2.1129 2.1981 2.1981 4.4165 4.4165 4.5836 4.5836 5.7201 5.7201 5.9638 5.9638 6.0758 6.0758 k = 0.7612 0.0526-0.3174 ( 15912 PWs) bands (ev): -10.1174 -10.1174 -9.8012 -9.8012 -9.2505 -9.2505 -9.1812 -9.1812 -9.0433 -9.0433 -8.9650 -8.9650 -7.1236 -7.1236 -6.7068 -6.7068 -1.3715 -1.3715 -1.1954 -1.1954 -0.9477 -0.9477 -0.7222 -0.7222 -0.3583 -0.3583 0.0893 0.0893 0.3337 0.3337 0.6717 0.6717 0.8837 0.8837 1.0206 1.0206 1.2461 1.2461 1.4032 1.4032 1.5187 1.5187 1.7211 1.7211 1.8005 1.8005 1.9875 1.9875 2.1089 2.1089 2.2026 2.2026 4.4118 4.4118 4.6071 4.6071 5.7316 5.7316 5.9705 5.9705 6.0751 6.0751 k = 0.7493 0.0615-0.2954 ( 15912 PWs) bands (ev): -10.1440 -10.1440 -9.7665 -9.7665 -9.2453 -9.2453 -9.1915 -9.1915 -9.0378 -9.0378 -8.9647 -8.9647 -7.1621 -7.1621 -6.6762 -6.6762 -1.3837 -1.3837 -1.2022 -1.2022 -0.9127 -0.9127 -0.7489 -0.7489 -0.3356 -0.3356 0.0747 0.0747 0.3419 0.3419 0.6735 0.6735 0.8807 0.8807 1.0238 1.0238 1.2265 1.2265 1.4018 1.4018 1.5188 1.5188 1.7145 1.7145 1.7972 1.7972 1.9830 1.9830 2.1072 2.1072 2.2093 2.2093 4.4031 4.4031 4.6359 4.6359 5.7403 5.7403 5.9793 5.9793 6.0736 6.0736 k = 0.7375 0.0705-0.2733 ( 15914 PWs) bands (ev): -10.1704 -10.1704 -9.7307 -9.7307 -9.2402 -9.2402 -9.2011 -9.2011 -9.0323 -9.0323 -8.9644 -8.9644 -7.2017 -7.2017 -6.6464 -6.6464 -1.3951 -1.3951 -1.2080 -1.2080 -0.8838 -0.8838 -0.7721 -0.7721 -0.3135 -0.3135 0.0608 0.0608 0.3496 0.3496 0.6766 0.6766 0.8786 0.8786 1.0280 1.0280 1.2046 1.2046 1.3997 1.3997 1.5196 1.5196 1.7089 1.7089 1.7930 1.7930 1.9758 1.9758 2.1077 2.1077 2.2184 2.2184 4.3912 4.3912 4.6685 4.6685 5.7450 5.7450 5.9891 5.9891 6.0730 6.0730 k = 0.7256 0.0794-0.2513 ( 15900 PWs) bands (ev): -10.1962 -10.1962 -9.6939 -9.6939 -9.2366 -9.2366 -9.2086 -9.2086 -9.0269 -9.0269 -8.9643 -8.9643 -7.2423 -7.2423 -6.6177 -6.6177 -1.4057 -1.4057 -1.2125 -1.2125 -0.8678 -0.8678 -0.7856 -0.7856 -0.2927 -0.2927 0.0483 0.0483 0.3570 0.3570 0.6809 0.6809 0.8769 0.8769 1.0329 1.0329 1.1819 1.1819 1.3968 1.3968 1.5203 1.5203 1.7048 1.7048 1.7885 1.7885 1.9667 1.9667 2.1092 2.1092 2.2295 2.2295 4.3766 4.3766 4.7037 4.7037 5.7449 5.7449 5.9961 5.9961 6.0773 6.0773 k = 0.7137 0.0883-0.2292 ( 15902 PWs) bands (ev): -10.2215 -10.2215 -9.6562 -9.6562 -9.2380 -9.2380 -9.2105 -9.2105 -9.0216 -9.0216 -8.9643 -8.9643 -7.2837 -7.2837 -6.5901 -6.5901 -1.4155 -1.4155 -1.2155 -1.2155 -0.8726 -0.8726 -0.7815 -0.7815 -0.2745 -0.2745 0.0378 0.0378 0.3648 0.3648 0.6864 0.6864 0.8750 0.8750 1.0377 1.0377 1.1604 1.1604 1.3934 1.3934 1.5203 1.5203 1.7016 1.7016 1.7854 1.7854 1.9572 1.9572 2.1108 2.1108 2.2424 2.2424 4.3597 4.3597 4.7404 4.7404 5.7398 5.7398 5.9950 5.9950 6.0912 6.0912 k = 0.7018 0.0973-0.2071 ( 15912 PWs) bands (ev): -10.2461 -10.2461 -9.6177 -9.6177 -9.2449 -9.2449 -9.2065 -9.2065 -9.0165 -9.0165 -8.9643 -8.9643 -7.3257 -7.3257 -6.5636 -6.5636 -1.4245 -1.4245 -1.2169 -1.2169 -0.8916 -0.8916 -0.7666 -0.7666 -0.2605 -0.2605 0.0298 0.0298 0.3739 0.3739 0.6927 0.6927 0.8720 0.8720 1.0411 1.0411 1.1425 1.1425 1.3897 1.3897 1.5191 1.5191 1.6974 1.6974 1.7858 1.7858 1.9484 1.9484 2.1114 2.1114 2.2564 2.2564 4.3407 4.3407 4.7781 4.7781 5.7297 5.7297 5.9849 5.9849 6.1150 6.1150 k = 0.6900 0.1062-0.1851 ( 15912 PWs) bands (ev): -10.2698 -10.2698 -9.5786 -9.5786 -9.2540 -9.2540 -9.1997 -9.1997 -9.0115 -9.0115 -8.9645 -8.9645 -7.3682 -7.3682 -6.5385 -6.5385 -1.4326 -1.4326 -1.2167 -1.2167 -0.9151 -0.9151 -0.7503 -0.7503 -0.2520 -0.2520 0.0244 0.0244 0.3853 0.3853 0.6999 0.6999 0.8675 0.8675 1.0413 1.0413 1.1310 1.1310 1.3860 1.3860 1.5170 1.5170 1.6898 1.6898 1.7921 1.7921 1.9413 1.9413 2.1106 2.1106 2.2709 2.2709 4.3197 4.3197 4.8161 4.8161 5.7147 5.7147 5.9685 5.9685 6.1451 6.1451 k = 0.6781 0.1152-0.1630 ( 15910 PWs) bands (ev): -10.2926 -10.2926 -9.5391 -9.5391 -9.2637 -9.2637 -9.1919 -9.1919 -9.0067 -9.0067 -8.9648 -8.9648 -7.4110 -7.4110 -6.5146 -6.5146 -1.4400 -1.4400 -1.2149 -1.2149 -0.9395 -0.9395 -0.7357 -0.7357 -0.2498 -0.2498 0.0209 0.0209 0.3999 0.3999 0.7077 0.7077 0.8612 0.8612 1.0372 1.0372 1.1274 1.1274 1.3827 1.3827 1.5146 1.5146 1.6777 1.6777 1.8054 1.8054 1.9362 1.9362 2.1081 2.1081 2.2852 2.2852 4.2970 4.2970 4.8541 4.8541 5.6951 5.6951 5.9484 5.9484 6.1787 6.1787 k = 0.6662 0.1241-0.1409 ( 15920 PWs) bands (ev): -10.3143 -10.3143 -9.4993 -9.4993 -9.2734 -9.2734 -9.1835 -9.1835 -9.0021 -9.0021 -8.9652 -8.9652 -7.4539 -7.4539 -6.4922 -6.4922 -1.4467 -1.4467 -1.2114 -1.2114 -0.9635 -0.9635 -0.7237 -0.7237 -0.2540 -0.2540 0.0182 0.0182 0.4184 0.4184 0.7159 0.7159 0.8535 0.8535 1.0300 1.0300 1.1306 1.1306 1.3796 1.3796 1.5127 1.5127 1.6617 1.6617 1.8248 1.8248 1.9334 1.9334 2.1037 2.1037 2.2987 2.2987 4.2725 4.2725 4.8918 4.8918 5.6708 5.6708 5.9262 5.9262 6.2136 6.2136 k = 0.6543 0.1331-0.1189 ( 15920 PWs) bands (ev): -10.3348 -10.3348 -9.4594 -9.4594 -9.2829 -9.2829 -9.1750 -9.1750 -8.9979 -8.9979 -8.9658 -8.9658 -7.4967 -7.4967 -6.4712 -6.4712 -1.4527 -1.4527 -1.2062 -1.2062 -0.9864 -0.9864 -0.7145 -0.7145 -0.2637 -0.2637 0.0150 0.0150 0.4406 0.4406 0.7241 0.7241 0.8455 0.8455 1.0217 1.0217 1.1381 1.1381 1.3763 1.3763 1.5118 1.5118 1.6437 1.6437 1.8491 1.8491 1.9328 1.9328 2.0977 2.0977 2.3108 2.3108 4.2465 4.2465 4.9290 4.9290 5.6420 5.6420 5.9031 5.9031 6.2484 6.2484 k = 0.6425 0.1420-0.0968 ( 15920 PWs) bands (ev): -10.3541 -10.3541 -9.4198 -9.4198 -9.2920 -9.2920 -9.1664 -9.1664 -8.9939 -8.9939 -8.9665 -8.9665 -7.5390 -7.5390 -6.4518 -6.4518 -1.4580 -1.4580 -1.1995 -1.1995 -1.0077 -1.0077 -0.7079 -0.7079 -0.2782 -0.2782 0.0102 0.0102 0.4656 0.4656 0.7317 0.7317 0.8392 0.8392 1.0134 1.0134 1.1482 1.1482 1.3721 1.3721 1.5119 1.5119 1.6256 1.6256 1.8767 1.8767 1.9342 1.9342 2.0904 2.0904 2.3211 2.3211 4.2190 4.2190 4.9654 4.9654 5.6093 5.6093 5.8802 5.8802 6.2817 6.2817 k = 0.6306 0.1510-0.0747 ( 15930 PWs) bands (ev): -10.3721 -10.3721 -9.3807 -9.3807 -9.3006 -9.3006 -9.1580 -9.1580 -8.9903 -8.9903 -8.9673 -8.9673 -7.5806 -7.5806 -6.4338 -6.4338 -1.4629 -1.4629 -1.1913 -1.1913 -1.0272 -1.0272 -0.7037 -0.7037 -0.2963 -0.2963 0.0036 0.0036 0.4922 0.4922 0.7376 0.7376 0.8371 0.8371 1.0056 1.0056 1.1599 1.1599 1.3661 1.3661 1.5113 1.5113 1.6103 1.6103 1.9060 1.9060 1.9379 1.9379 2.0825 2.0825 2.3292 2.3292 4.1903 4.1903 5.0009 5.0009 5.5734 5.5734 5.8580 5.8580 6.3128 6.3128 k = 0.6187 0.1599-0.0527 ( 15930 PWs) bands (ev): -10.3887 -10.3887 -9.3425 -9.3425 -9.3085 -9.3085 -9.1497 -9.1497 -8.9871 -8.9871 -8.9682 -8.9682 -7.6212 -7.6212 -6.4173 -6.4173 -1.4674 -1.4674 -1.1818 -1.1818 -1.0445 -1.0445 -0.7017 -0.7017 -0.3170 -0.3170 -0.0048 -0.0048 0.5182 0.5182 0.7413 0.7413 0.8413 0.8413 0.9986 0.9986 1.1724 1.1724 1.3581 1.3581 1.5067 1.5067 1.6017 1.6017 1.9310 1.9310 1.9485 1.9485 2.0747 2.0747 2.3347 2.3347 4.1605 4.1605 5.0353 5.0353 5.5353 5.5353 5.8368 5.8368 6.3409 6.3409 k = 0.6069 0.1688-0.0306 ( 15932 PWs) bands (ev): -10.4039 -10.4039 -9.3171 -9.3171 -9.3042 -9.3042 -9.1418 -9.1418 -8.9844 -8.9844 -8.9691 -8.9691 -7.6602 -7.6602 -6.4024 -6.4024 -1.4714 -1.4714 -1.1714 -1.1714 -1.0593 -1.0593 -0.7018 -0.7018 -0.3395 -0.3395 -0.0146 -0.0146 0.5418 0.5418 0.7433 0.7433 0.8526 0.8526 0.9927 0.9927 1.1851 1.1851 1.3479 1.3479 1.4957 1.4957 1.6014 1.6014 1.9405 1.9405 1.9756 1.9756 2.0687 2.0687 2.3375 2.3375 4.1300 4.1300 5.0685 5.0685 5.4963 5.4963 5.8168 5.8168 6.3659 6.3659 k = 0.5950 0.1778-0.0085 ( 15938 PWs) bands (ev): -10.4177 -10.4177 -9.3233 -9.3233 -9.2692 -9.2692 -9.1342 -9.1342 -8.9821 -8.9821 -8.9701 -8.9701 -7.6975 -7.6975 -6.3891 -6.3891 -1.4751 -1.4751 -1.1604 -1.1604 -1.0714 -1.0714 -0.7036 -0.7036 -0.3628 -0.3628 -0.0252 -0.0252 0.5611 0.5611 0.7452 0.7452 0.8700 0.8700 0.9884 0.9884 1.1972 1.1972 1.3358 1.3358 1.4800 1.4800 1.6076 1.6076 1.9451 1.9451 2.0060 2.0060 2.0667 2.0667 2.3375 2.3375 4.0992 4.0992 5.1002 5.1002 5.4575 5.4575 5.7982 5.7982 6.3876 6.3876 k = 0.5831 0.1867 0.0135 ( 15942 PWs) bands (ev): -10.4299 -10.4299 -9.3294 -9.3294 -9.2358 -9.2358 -9.1270 -9.1270 -8.9805 -8.9805 -8.9710 -8.9710 -7.7323 -7.7323 -6.3773 -6.3773 -1.4786 -1.4786 -1.1499 -1.1499 -1.0802 -1.0802 -0.7070 -0.7070 -0.3860 -0.3860 -0.0360 -0.0360 0.5752 0.5752 0.7482 0.7482 0.8923 0.8923 0.9862 0.9862 1.2075 1.2075 1.3222 1.3222 1.4627 1.4627 1.6162 1.6162 1.9475 1.9475 2.0329 2.0329 2.0726 2.0726 2.3347 2.3347 4.0687 4.0687 5.1301 5.1301 5.4204 5.4204 5.7808 5.7808 6.4062 6.4062 k = 0.5712 0.1957 0.0356 ( 15942 PWs) bands (ev): -10.4405 -10.4405 -9.3347 -9.3347 -9.2050 -9.2050 -9.1204 -9.1204 -8.9796 -8.9796 -8.9718 -8.9718 -7.7642 -7.7642 -6.3671 -6.3671 -1.4817 -1.4817 -1.1411 -1.1411 -1.0848 -1.0848 -0.7117 -0.7117 -0.4082 -0.4082 -0.0466 -0.0466 0.5841 0.5841 0.7524 0.7524 0.9180 0.9180 0.9864 0.9864 1.2148 1.2148 1.3076 1.3076 1.4467 1.4467 1.6246 1.6246 1.9476 1.9476 2.0521 2.0521 2.0904 2.0904 2.3291 2.3291 4.0392 4.0392 5.1578 5.1578 5.3859 5.3859 5.7648 5.7648 6.4220 6.4220 k = 0.5594 0.2046 0.0577 ( 15950 PWs) bands (ev): -10.4496 -10.4496 -9.3393 -9.3393 -9.1775 -9.1775 -9.1142 -9.1142 -8.9793 -8.9793 -8.9724 -8.9724 -7.7927 -7.7927 -6.3585 -6.3585 -1.4845 -1.4845 -1.1356 -1.1356 -1.0841 -1.0841 -0.7175 -0.7175 -0.4285 -0.4285 -0.0563 -0.0563 0.5889 0.5889 0.7571 0.7571 0.9458 0.9458 0.9893 0.9893 1.2178 1.2178 1.2921 1.2921 1.4339 1.4339 1.6313 1.6313 1.9457 1.9457 2.0673 2.0673 2.1149 2.1149 2.3212 2.3212 4.0116 4.0116 5.1830 5.1830 5.3549 5.3549 5.7505 5.7505 6.4350 6.4350 k = 0.5475 0.2136 0.0797 ( 15962 PWs) bands (ev): -10.4571 -10.4571 -9.3431 -9.3431 -9.1541 -9.1541 -9.1083 -9.1083 -8.9797 -8.9797 -8.9728 -8.9728 -7.8170 -7.8170 -6.3515 -6.3515 -1.4869 -1.4869 -1.1336 -1.1336 -1.0788 -1.0788 -0.7239 -0.7239 -0.4462 -0.4462 -0.0648 -0.0648 0.5909 0.5909 0.7614 0.7614 0.9737 0.9737 0.9949 0.9949 1.2159 1.2159 1.2764 1.2764 1.4255 1.4255 1.6356 1.6356 1.9427 1.9427 2.0832 2.0832 2.1391 2.1391 2.3115 2.3115 3.9869 3.9869 5.2052 5.2052 5.3282 5.3282 5.7380 5.7380 6.4455 6.4455 k = 0.5356 0.2225 0.1018 ( 15960 PWs) bands (ev): -10.4629 -10.4629 -9.3461 -9.3461 -9.1359 -9.1359 -9.1025 -9.1025 -8.9803 -8.9803 -8.9732 -8.9732 -7.8367 -7.8367 -6.3460 -6.3460 -1.4888 -1.4888 -1.1338 -1.1338 -1.0714 -1.0714 -0.7302 -0.7302 -0.4606 -0.4606 -0.0718 -0.0718 0.5913 0.5913 0.7649 0.7649 0.9951 0.9951 1.0074 1.0074 1.2096 1.2096 1.2611 1.2611 1.4214 1.4214 1.6378 1.6378 1.9395 1.9395 2.0996 2.0996 2.1599 2.1599 2.3007 2.3007 3.9662 3.9662 5.2241 5.2241 5.3060 5.3060 5.7276 5.7276 6.4536 6.4536 k = 0.5237 0.2315 0.1238 ( 15972 PWs) bands (ev): -10.4670 -10.4670 -9.3482 -9.3482 -9.1238 -9.1238 -9.0966 -9.0966 -8.9811 -8.9811 -8.9735 -8.9735 -7.8513 -7.8513 -6.3421 -6.3421 -1.4903 -1.4903 -1.1347 -1.1347 -1.0642 -1.0642 -0.7357 -0.7357 -0.4712 -0.4712 -0.0769 -0.0769 0.5910 0.5910 0.7672 0.7672 1.0036 1.0036 1.0297 1.0297 1.2003 1.2003 1.2480 1.2480 1.4203 1.4203 1.6384 1.6384 1.9369 1.9369 2.1146 2.1146 2.1757 2.1757 2.2905 2.2905 3.9505 3.9505 5.2397 5.2397 5.2884 5.2884 5.7199 5.7199 6.4594 6.4594 k = 0.5119 0.2404 0.1459 ( 15964 PWs) bands (ev): -10.4695 -10.4695 -9.3495 -9.3495 -9.1175 -9.1175 -9.0917 -9.0917 -8.9817 -8.9817 -8.9738 -8.9738 -7.8602 -7.8602 -6.3397 -6.3397 -1.4912 -1.4912 -1.1354 -1.1354 -1.0592 -1.0592 -0.7394 -0.7394 -0.4776 -0.4776 -0.0801 -0.0801 0.5907 0.5907 0.7686 0.7686 1.0084 1.0084 1.0476 1.0476 1.1914 1.1914 1.2391 1.2391 1.4206 1.4206 1.6383 1.6383 1.9352 1.9352 2.1256 2.1256 2.1856 2.1856 2.2828 2.2828 3.9407 3.9407 5.2523 5.2523 5.2747 5.2747 5.7150 5.7150 6.4628 6.4628 k = 0.5000 0.2493 0.1680 ( 15938 PWs) bands (ev): -10.4704 -10.4704 -9.3499 -9.3499 -9.1156 -9.1156 -9.0898 -9.0898 -8.9819 -8.9819 -8.9739 -8.9739 -7.8631 -7.8631 -6.3389 -6.3389 -1.4915 -1.4915 -1.1356 -1.1356 -1.0575 -1.0575 -0.7408 -0.7408 -0.4798 -0.4798 -0.0811 -0.0811 0.5905 0.5905 0.7690 0.7690 1.0101 1.0101 1.0546 1.0546 1.1875 1.1875 1.2359 1.2359 1.4208 1.4208 1.6382 1.6382 1.9346 1.9346 2.1297 2.1297 2.1889 2.1889 2.2798 2.2798 3.9373 3.9373 5.2628 5.2628 5.2639 5.2639 5.7134 5.7134 6.4639 6.4639 k = 0.5000 0.2493 0.1680 ( 15938 PWs) bands (ev): -10.4704 -10.4704 -9.3499 -9.3499 -9.1156 -9.1156 -9.0898 -9.0898 -8.9819 -8.9819 -8.9739 -8.9739 -7.8631 -7.8631 -6.3389 -6.3389 -1.4915 -1.4915 -1.1356 -1.1356 -1.0575 -1.0575 -0.7408 -0.7408 -0.4798 -0.4798 -0.0811 -0.0811 0.5905 0.5905 0.7690 0.7690 1.0101 1.0101 1.0546 1.0546 1.1875 1.1875 1.2359 1.2359 1.4208 1.4208 1.6382 1.6382 1.9346 1.9346 2.1297 2.1297 2.1889 2.1889 2.2798 2.2798 3.9373 3.9373 5.2628 5.2628 5.2639 5.2639 5.7134 5.7134 6.4639 6.4639 k = 0.4773 0.2380 0.1603 ( 15962 PWs) bands (ev): -10.4707 -10.4707 -9.3493 -9.3493 -9.1155 -9.1155 -9.0898 -9.0898 -8.9819 -8.9819 -8.9740 -8.9740 -7.8631 -7.8631 -6.3395 -6.3395 -1.4919 -1.4919 -1.1363 -1.1363 -1.0580 -1.0580 -0.7407 -0.7407 -0.4798 -0.4798 -0.0810 -0.0810 0.5874 0.5874 0.7718 0.7718 0.9971 0.9971 1.0695 1.0695 1.1863 1.1863 1.2379 1.2379 1.4213 1.4213 1.6401 1.6401 1.9350 1.9350 2.1297 2.1297 2.1888 2.1888 2.2807 2.2807 3.9364 3.9364 5.2522 5.2522 5.2729 5.2729 5.7119 5.7119 6.4628 6.4628 k = 0.4545 0.2267 0.1527 ( 15989 PWs) bands (ev): -10.4716 -10.4716 -9.3474 -9.3474 -9.1154 -9.1154 -9.0896 -9.0896 -8.9820 -8.9820 -8.9741 -8.9741 -7.8631 -7.8631 -6.3414 -6.3414 -1.4930 -1.4930 -1.1383 -1.1383 -1.0596 -1.0596 -0.7403 -0.7403 -0.4799 -0.4799 -0.0807 -0.0807 0.5788 0.5788 0.7796 0.7796 0.9757 0.9757 1.0971 1.0971 1.1836 1.1836 1.2434 1.2434 1.4227 1.4227 1.6456 1.6456 1.9362 1.9362 2.1297 2.1297 2.1884 2.1884 2.2831 2.2831 3.9335 3.9335 5.2396 5.2396 5.2809 5.2809 5.7076 5.7076 6.4592 6.4592 k = 0.4318 0.2153 0.1451 ( 15971 PWs) bands (ev): -10.4731 -10.4731 -9.3443 -9.3443 -9.1152 -9.1152 -9.0894 -9.0894 -8.9822 -8.9822 -8.9743 -8.9743 -7.8631 -7.8631 -6.3443 -6.3443 -1.4949 -1.4949 -1.1416 -1.1416 -1.0621 -1.0621 -0.7397 -0.7397 -0.4802 -0.4802 -0.0802 -0.0802 0.5661 0.5661 0.7908 0.7908 0.9552 0.9552 1.1276 1.1276 1.1807 1.1807 1.2510 1.2510 1.4251 1.4251 1.6543 1.6543 1.9385 1.9385 2.1297 2.1297 2.1879 2.1879 2.2870 2.2870 3.9290 3.9290 5.2255 5.2255 5.2873 5.2873 5.7007 5.7007 6.4533 6.4533 k = 0.4091 0.2040 0.1374 ( 15959 PWs) bands (ev): -10.4751 -10.4751 -9.3400 -9.3400 -9.1149 -9.1149 -9.0891 -9.0891 -8.9825 -8.9825 -8.9746 -8.9746 -7.8630 -7.8630 -6.3484 -6.3484 -1.4975 -1.4975 -1.1460 -1.1460 -1.0656 -1.0656 -0.7390 -0.7390 -0.4809 -0.4809 -0.0797 -0.0797 0.5508 0.5508 0.8041 0.8041 0.9378 0.9378 1.1589 1.1589 1.1787 1.1787 1.2597 1.2597 1.4288 1.4288 1.6656 1.6656 1.9420 1.9420 2.1297 2.1297 2.1871 2.1871 2.2919 2.2919 3.9228 3.9228 5.2102 5.2102 5.2923 5.2923 5.6915 5.6915 6.4450 6.4450 k = 0.3864 0.1927 0.1298 ( 15953 PWs) bands (ev): -10.4776 -10.4776 -9.3346 -9.3346 -9.1145 -9.1145 -9.0887 -9.0887 -8.9828 -8.9828 -8.9749 -8.9749 -7.8630 -7.8630 -6.3535 -6.3535 -1.5006 -1.5006 -1.1513 -1.1513 -1.0698 -1.0698 -0.7384 -0.7384 -0.4822 -0.4822 -0.0793 -0.0793 0.5342 0.5342 0.8185 0.8185 0.9241 0.9241 1.1781 1.1781 1.1902 1.1902 1.2689 1.2689 1.4339 1.4339 1.6790 1.6790 1.9470 1.9470 2.1297 2.1297 2.1862 2.1862 2.2973 2.2973 3.9153 3.9153 5.1938 5.1938 5.2959 5.2959 5.6804 5.6804 6.4343 6.4343 k = 0.3636 0.1813 0.1222 ( 15929 PWs) bands (ev): -10.4805 -10.4805 -9.3283 -9.3283 -9.1140 -9.1140 -9.0883 -9.0883 -8.9832 -8.9832 -8.9753 -8.9753 -7.8629 -7.8629 -6.3596 -6.3596 -1.5043 -1.5043 -1.1573 -1.1573 -1.0747 -1.0747 -0.7379 -0.7379 -0.4843 -0.4843 -0.0789 -0.0789 0.5167 0.5167 0.8337 0.8337 0.9148 0.9148 1.1791 1.1791 1.2206 1.2206 1.2784 1.2784 1.4406 1.4406 1.6938 1.6938 1.9536 1.9536 2.1296 2.1296 2.1851 2.1851 2.3028 2.3028 3.9068 3.9068 5.1765 5.1765 5.2984 5.2984 5.6682 5.6682 6.4213 6.4213 k = 0.3409 0.1700 0.1145 ( 15938 PWs) bands (ev): -10.4838 -10.4838 -9.3212 -9.3212 -9.1135 -9.1135 -9.0877 -9.0877 -8.9836 -8.9836 -8.9757 -8.9757 -7.8628 -7.8628 -6.3664 -6.3664 -1.5083 -1.5083 -1.1639 -1.1639 -1.0800 -1.0800 -0.7377 -0.7377 -0.4873 -0.4873 -0.0788 -0.0788 0.4987 0.4987 0.8495 0.8495 0.9101 0.9101 1.1819 1.1819 1.2495 1.2495 1.2877 1.2877 1.4490 1.4490 1.7092 1.7092 1.9619 1.9619 2.1295 2.1295 2.1839 2.1839 2.3079 2.3079 3.8976 3.8976 5.1584 5.1584 5.3000 5.3000 5.6552 5.6552 6.4059 6.4059 k = 0.3182 0.1587 0.1069 ( 15926 PWs) bands (ev): -10.4874 -10.4874 -9.3134 -9.3134 -9.1129 -9.1129 -9.0871 -9.0871 -8.9841 -8.9841 -8.9763 -8.9763 -7.8627 -7.8627 -6.3740 -6.3740 -1.5126 -1.5126 -1.1708 -1.1708 -1.0857 -1.0857 -0.7378 -0.7378 -0.4915 -0.4915 -0.0787 -0.0787 0.4804 0.4804 0.8663 0.8663 0.9101 0.9101 1.1863 1.1863 1.2764 1.2764 1.2967 1.2967 1.4591 1.4591 1.7248 1.7248 1.9719 1.9719 2.1292 2.1292 2.1826 2.1826 2.3121 2.3121 3.8881 3.8881 5.1398 5.1398 5.3008 5.3008 5.6423 5.6423 6.3882 6.3882 k = 0.2955 0.1473 0.0993 ( 15926 PWs) bands (ev): -10.4912 -10.4912 -9.3051 -9.3051 -9.1123 -9.1123 -9.0865 -9.0865 -8.9847 -8.9847 -8.9768 -8.9768 -7.8626 -7.8626 -6.3820 -6.3820 -1.5171 -1.5171 -1.1777 -1.1777 -1.0916 -1.0916 -0.7385 -0.7385 -0.4968 -0.4968 -0.0786 -0.0786 0.4616 0.4616 0.8844 0.8844 0.9148 0.9148 1.1920 1.1920 1.3008 1.3008 1.3051 1.3051 1.4708 1.4708 1.7402 1.7402 1.9833 1.9833 2.1289 2.1289 2.1812 2.1812 2.3149 2.3149 3.8787 3.8787 5.1209 5.1209 5.3012 5.3012 5.6301 5.6301 6.3682 6.3682 k = 0.2727 0.1360 0.0916 ( 15968 PWs) bands (ev): -10.4951 -10.4951 -9.2965 -9.2965 -9.1116 -9.1116 -9.0858 -9.0858 -8.9852 -8.9852 -8.9774 -8.9774 -7.8625 -7.8625 -6.3905 -6.3905 -1.5217 -1.5217 -1.1847 -1.1847 -1.0975 -1.0975 -0.7397 -0.7397 -0.5032 -0.5032 -0.0783 -0.0783 0.4424 0.4424 0.9040 0.9040 0.9243 0.9243 1.1990 1.1990 1.3128 1.3128 1.3221 1.3221 1.4836 1.4836 1.7555 1.7555 1.9957 1.9957 2.1286 2.1286 2.1797 2.1797 2.3159 2.3159 3.8700 3.8700 5.1017 5.1017 5.3013 5.3013 5.6191 5.6191 6.3460 6.3460 k = 0.2500 0.1247 0.0840 ( 15977 PWs) bands (ev): -10.4990 -10.4990 -9.2877 -9.2877 -9.1110 -9.1110 -9.0852 -9.0852 -8.9858 -8.9858 -8.9780 -8.9780 -7.8624 -7.8624 -6.3991 -6.3991 -1.5262 -1.5262 -1.1913 -1.1913 -1.1033 -1.1033 -0.7416 -0.7416 -0.5106 -0.5106 -0.0777 -0.0777 0.4227 0.4227 0.9252 0.9252 0.9381 0.9381 1.2070 1.2070 1.3198 1.3198 1.3399 1.3399 1.4969 1.4969 1.7706 1.7706 2.0086 2.0086 2.1283 2.1283 2.1781 2.1781 2.3150 2.3150 3.8622 3.8622 5.0825 5.0825 5.3015 5.3015 5.6099 5.6099 6.3218 6.3218 k = 0.2273 0.1133 0.0764 ( 15962 PWs) bands (ev): -10.5029 -10.5029 -9.2789 -9.2789 -9.1103 -9.1103 -9.0845 -9.0845 -8.9864 -8.9864 -8.9786 -8.9786 -7.8622 -7.8622 -6.4077 -6.4077 -1.5305 -1.5305 -1.1977 -1.1977 -1.1089 -1.1089 -0.7439 -0.7439 -0.5187 -0.5187 -0.0766 -0.0766 0.4025 0.4025 0.9480 0.9480 0.9559 0.9559 1.2158 1.2158 1.3261 1.3261 1.3540 1.3540 1.5098 1.5098 1.7859 1.7859 2.0214 2.0214 2.1282 2.1282 2.1763 2.1763 2.3118 2.3118 3.8556 3.8556 5.0634 5.0634 5.3020 5.3020 5.6030 5.6030 6.2958 6.2958 k = 0.2045 0.1020 0.0687 ( 15941 PWs) bands (ev): -10.5067 -10.5067 -9.2703 -9.2703 -9.1096 -9.1096 -9.0838 -9.0838 -8.9869 -8.9869 -8.9792 -8.9792 -7.8621 -7.8621 -6.4162 -6.4162 -1.5347 -1.5347 -1.2036 -1.2036 -1.1142 -1.1142 -0.7468 -0.7468 -0.5274 -0.5274 -0.0747 -0.0747 0.3822 0.3822 0.9719 0.9719 0.9773 0.9773 1.2253 1.2253 1.3322 1.3322 1.3639 1.3639 1.5214 1.5214 1.8018 1.8018 2.0336 2.0336 2.1282 2.1282 2.1744 2.1744 2.3063 2.3063 3.8506 3.8506 5.0446 5.0446 5.3028 5.3028 5.5987 5.5987 6.2683 6.2683 k = 0.1818 0.0907 0.0611 ( 15965 PWs) bands (ev): -10.5102 -10.5102 -9.2621 -9.2621 -9.1089 -9.1089 -9.0831 -9.0831 -8.9875 -8.9875 -8.9798 -8.9798 -7.8620 -7.8620 -6.4244 -6.4244 -1.5386 -1.5386 -1.2089 -1.2089 -1.1191 -1.1191 -0.7501 -0.7501 -0.5363 -0.5363 -0.0721 -0.0721 0.3618 0.3618 0.9964 0.9964 1.0018 1.0018 1.2350 1.2350 1.3386 1.3386 1.3696 1.3696 1.5307 1.5307 1.8187 1.8187 2.0444 2.0444 2.1284 2.1284 2.1722 2.1722 2.2987 2.2987 3.8472 3.8472 5.0263 5.0263 5.3041 5.3041 5.5971 5.5971 6.2397 6.2397 k = 0.1591 0.0793 0.0534 ( 15947 PWs) bands (ev): -10.5136 -10.5136 -9.2544 -9.2544 -9.1083 -9.1083 -9.0825 -9.0825 -8.9880 -8.9880 -8.9803 -8.9803 -7.8619 -7.8619 -6.4320 -6.4320 -1.5421 -1.5421 -1.2137 -1.2137 -1.1236 -1.1236 -0.7536 -0.7536 -0.5452 -0.5452 -0.0687 -0.0687 0.3419 0.3419 1.0208 1.0208 1.0287 1.0287 1.2446 1.2446 1.3458 1.3458 1.3709 1.3709 1.5366 1.5366 1.8371 1.8371 2.0533 2.0533 2.1290 2.1290 2.1698 2.1698 2.2893 2.2893 3.8454 3.8454 5.0088 5.0088 5.3058 5.3058 5.5983 5.5983 6.2107 6.2107 k = 0.1364 0.0680 0.0458 ( 15920 PWs) bands (ev): -10.5165 -10.5165 -9.2474 -9.2474 -9.1077 -9.1077 -9.0819 -9.0819 -8.9885 -8.9885 -8.9808 -8.9808 -7.8618 -7.8618 -6.4390 -6.4390 -1.5452 -1.5452 -1.2179 -1.2179 -1.1275 -1.1275 -0.7571 -0.7571 -0.5536 -0.5536 -0.0646 -0.0646 0.3228 0.3228 1.0442 1.0442 1.0574 1.0574 1.2534 1.2534 1.3548 1.3548 1.3680 1.3680 1.5384 1.5384 1.8572 1.8572 2.0594 2.0594 2.1300 2.1300 2.1672 2.1672 2.2787 2.2787 3.8450 3.8450 4.9924 4.9924 5.3080 5.3080 5.6019 5.6019 6.1819 6.1819 k = 0.1136 0.0567 0.0382 ( 15938 PWs) bands (ev): -10.5192 -10.5192 -9.2412 -9.2412 -9.1072 -9.1072 -9.0814 -9.0814 -8.9890 -8.9890 -8.9813 -8.9813 -7.8617 -7.8617 -6.4452 -6.4452 -1.5479 -1.5479 -1.2214 -1.2214 -1.1309 -1.1309 -0.7605 -0.7605 -0.5613 -0.5613 -0.0601 -0.0601 0.3050 0.3050 1.0657 1.0657 1.0871 1.0871 1.2608 1.2608 1.3609 1.3609 1.3663 1.3663 1.5356 1.5356 1.8790 1.8790 2.0621 2.0621 2.1314 2.1314 2.1643 2.1643 2.2676 2.2676 3.8458 3.8458 4.9775 4.9775 5.3103 5.3103 5.6076 5.6076 6.1542 6.1542 k = 0.0909 0.0453 0.0305 ( 15944 PWs) bands (ev): -10.5214 -10.5214 -9.2359 -9.2359 -9.1068 -9.1068 -9.0809 -9.0809 -8.9893 -8.9893 -8.9817 -8.9817 -7.8617 -7.8617 -6.4505 -6.4505 -1.5502 -1.5502 -1.2242 -1.2242 -1.1337 -1.1337 -0.7637 -0.7637 -0.5680 -0.5680 -0.0555 -0.0555 0.2891 0.2891 1.0845 1.0845 1.1169 1.1169 1.2663 1.2663 1.3502 1.3502 1.3809 1.3809 1.5283 1.5283 1.9024 1.9024 2.0606 2.0606 2.1332 2.1332 2.1613 2.1613 2.2572 2.2572 3.8473 3.8473 4.9646 4.9646 5.3127 5.3127 5.6145 5.6145 6.1288 6.1288 k = 0.0682 0.0340 0.0229 ( 15938 PWs) bands (ev): -10.5231 -10.5231 -9.2317 -9.2317 -9.1065 -9.1065 -9.0806 -9.0806 -8.9896 -8.9896 -8.9820 -8.9820 -7.8616 -7.8616 -6.4547 -6.4547 -1.5520 -1.5520 -1.2265 -1.2265 -1.1360 -1.1360 -0.7663 -0.7663 -0.5735 -0.5735 -0.0511 -0.0511 0.2758 0.2758 1.0999 1.0999 1.1457 1.1457 1.2700 1.2700 1.3367 1.3367 1.3983 1.3983 1.5166 1.5166 1.9268 1.9268 2.0542 2.0542 2.1352 2.1352 2.1583 2.1583 2.2483 2.2483 3.8491 3.8491 4.9539 4.9539 5.3149 5.3149 5.6218 5.6218 6.1069 6.1069 k = 0.0455 0.0227 0.0153 ( 15925 PWs) bands (ev): -10.5244 -10.5244 -9.2287 -9.2287 -9.1062 -9.1062 -9.0803 -9.0803 -8.9898 -8.9898 -8.9822 -8.9822 -7.8616 -7.8616 -6.4578 -6.4578 -1.5532 -1.5532 -1.2280 -1.2280 -1.1375 -1.1375 -0.7683 -0.7683 -0.5775 -0.5775 -0.0475 -0.0475 0.2657 0.2657 1.1113 1.1113 1.1718 1.1718 1.2722 1.2722 1.3217 1.3217 1.4180 1.4180 1.5013 1.5013 1.9511 1.9511 2.0432 2.0432 2.1374 2.1374 2.1554 2.1554 2.2417 2.2417 3.8508 3.8508 4.9460 4.9460 5.3166 5.3166 5.6282 5.6282 6.0898 6.0898 k = 0.0227 0.0113 0.0076 ( 15907 PWs) bands (ev): -10.5252 -10.5252 -9.2268 -9.2268 -9.1060 -9.1060 -9.0801 -9.0801 -8.9900 -8.9900 -8.9824 -8.9824 -7.8616 -7.8616 -6.4597 -6.4597 -1.5540 -1.5540 -1.2290 -1.2290 -1.1385 -1.1385 -0.7695 -0.7695 -0.5800 -0.5800 -0.0451 -0.0451 0.2594 0.2594 1.1183 1.1183 1.1917 1.1917 1.2733 1.2733 1.3085 1.3085 1.4385 1.4385 1.4836 1.4836 1.9732 1.9732 2.0291 2.0291 2.1392 2.1392 2.1531 2.1531 2.2378 2.2378 3.8519 3.8519 4.9411 4.9411 5.3177 5.3177 5.6327 5.6327 6.0789 6.0789 k = 0.0000 0.0000 0.0000 ( 15919 PWs) bands (ev): -10.5255 -10.5255 -9.2262 -9.2262 -9.1060 -9.1060 -9.0801 -9.0801 -8.9900 -8.9900 -8.9824 -8.9824 -7.8615 -7.8615 -6.4603 -6.4603 -1.5543 -1.5543 -1.2293 -1.2293 -1.1388 -1.1388 -0.7699 -0.7699 -0.5809 -0.5809 -0.0443 -0.0443 0.2572 0.2572 1.1207 1.1207 1.1997 1.1997 1.2736 1.2736 1.3027 1.3027 1.4532 1.4532 1.4698 1.4698 1.9852 1.9852 2.0198 2.0198 2.1400 2.1400 2.1522 2.1522 2.2365 2.2365 3.8523 3.8523 4.9395 4.9395 5.3181 5.3181 5.6343 5.6343 6.0751 6.0751 k = 0.0000 0.0000 0.0000 ( 15919 PWs) bands (ev): -10.5255 -10.5255 -9.2262 -9.2262 -9.1060 -9.1060 -9.0801 -9.0801 -8.9900 -8.9900 -8.9824 -8.9824 -7.8615 -7.8615 -6.4603 -6.4603 -1.5543 -1.5543 -1.2293 -1.2293 -1.1388 -1.1388 -0.7699 -0.7699 -0.5809 -0.5809 -0.0443 -0.0443 0.2572 0.2572 1.1207 1.1207 1.1997 1.1997 1.2736 1.2736 1.3027 1.3027 1.4532 1.4532 1.4698 1.4698 1.9852 1.9852 2.0198 2.0198 2.1400 2.1400 2.1522 2.1522 2.2365 2.2365 3.8523 3.8523 4.9395 4.9395 5.3181 5.3181 5.6343 5.6343 6.0751 6.0751 k = 0.0117-0.0088-0.0218 ( 15921 PWs) bands (ev): -10.5246 -10.5246 -9.2259 -9.2259 -9.1077 -9.1077 -9.0818 -9.0818 -8.9899 -8.9899 -8.9824 -8.9824 -7.8586 -7.8586 -6.4609 -6.4609 -1.5538 -1.5538 -1.2287 -1.2287 -1.1402 -1.1402 -0.7689 -0.7689 -0.5794 -0.5794 -0.0440 -0.0440 0.2598 0.2598 1.1185 1.1185 1.1944 1.1944 1.2745 1.2745 1.2996 1.2996 1.4526 1.4526 1.4738 1.4738 1.9858 1.9858 2.0124 2.0124 2.1361 2.1361 2.1586 2.1586 2.2397 2.2397 3.8544 3.8544 4.9383 4.9383 5.3204 5.3204 5.6340 5.6340 6.0755 6.0755 k = 0.0234-0.0177-0.0436 ( 15923 PWs) bands (ev): -10.5221 -10.5221 -9.2249 -9.2249 -9.1135 -9.1135 -9.0862 -9.0862 -8.9898 -8.9898 -8.9825 -8.9825 -7.8500 -7.8500 -6.4626 -6.4626 -1.5522 -1.5522 -1.2271 -1.2271 -1.1442 -1.1442 -0.7660 -0.7660 -0.5748 -0.5748 -0.0432 -0.0432 0.2673 0.2673 1.1114 1.1114 1.1808 1.1808 1.2729 1.2729 1.2937 1.2937 1.4530 1.4530 1.4826 1.4826 1.9856 1.9856 1.9958 1.9958 2.1253 2.1253 2.1733 2.1733 2.2489 2.2489 3.8605 3.8605 4.9348 4.9348 5.3271 5.3271 5.6331 5.6331 6.0767 6.0767 k = 0.0352-0.0265-0.0654 ( 15945 PWs) bands (ev): -10.5180 -10.5180 -9.2233 -9.2233 -9.1248 -9.1248 -9.0915 -9.0915 -8.9896 -8.9896 -8.9827 -8.9827 -7.8359 -7.8359 -6.4655 -6.4655 -1.5498 -1.5498 -1.2246 -1.2246 -1.1498 -1.1498 -0.7623 -0.7623 -0.5669 -0.5669 -0.0419 -0.0419 0.2796 0.2796 1.0986 1.0986 1.1631 1.1631 1.2605 1.2605 1.2926 1.2926 1.4556 1.4556 1.4930 1.4930 1.9677 1.9677 1.9923 1.9923 2.1100 2.1100 2.1895 2.1895 2.2632 2.2632 3.8705 3.8705 4.9290 4.9290 5.3381 5.3381 5.6321 5.6321 6.0786 6.0786 k = 0.0469-0.0353-0.0872 ( 15951 PWs) bands (ev): -10.5121 -10.5121 -9.2211 -9.2211 -9.1418 -9.1418 -9.0965 -9.0965 -8.9897 -8.9897 -8.9830 -8.9830 -7.8167 -7.8167 -6.4695 -6.4695 -1.5466 -1.5466 -1.2221 -1.2221 -1.1554 -1.1554 -0.7589 -0.7589 -0.5553 -0.5553 -0.0401 -0.0401 0.2963 0.2963 1.0789 1.0789 1.1450 1.1450 1.2404 1.2404 1.2941 1.2941 1.4594 1.4594 1.5036 1.5036 1.9425 1.9425 1.9932 1.9932 2.0930 2.0930 2.2032 2.2032 2.2818 2.2818 3.8838 3.8838 4.9212 4.9212 5.3529 5.3529 5.6313 5.6313 6.0812 6.0812 k = 0.0586-0.0442-0.1089 ( 15941 PWs) bands (ev): -10.5047 -10.5047 -9.2184 -9.2184 -9.1638 -9.1638 -9.1015 -9.1015 -8.9903 -8.9903 -8.9834 -8.9834 -7.7930 -7.7930 -6.4747 -6.4747 -1.5426 -1.5426 -1.2208 -1.2208 -1.1586 -1.1586 -0.7568 -0.7568 -0.5398 -0.5398 -0.0381 -0.0381 0.3168 0.3168 1.0525 1.0525 1.1280 1.1280 1.2172 1.2172 1.2949 1.2949 1.4630 1.4630 1.5138 1.5138 1.9175 1.9175 1.9904 1.9904 2.0778 2.0778 2.2135 2.2135 2.3030 2.3030 3.9001 3.9001 4.9115 4.9115 5.3711 5.3711 5.6313 5.6313 6.0842 6.0842 k = 0.0703-0.0530-0.1307 ( 15949 PWs) bands (ev): -10.4956 -10.4956 -9.2155 -9.2155 -9.1896 -9.1896 -9.1066 -9.1066 -8.9914 -8.9914 -8.9837 -8.9837 -7.7652 -7.7652 -6.4811 -6.4811 -1.5382 -1.5382 -1.2226 -1.2226 -1.1569 -1.1569 -0.7566 -0.7566 -0.5209 -0.5209 -0.0358 -0.0358 0.3405 0.3405 1.0213 1.0213 1.1115 1.1115 1.1933 1.1933 1.2942 1.2942 1.4655 1.4655 1.5234 1.5234 1.8940 1.8940 1.9800 1.9800 2.0684 2.0684 2.2210 2.2210 2.3244 2.3244 3.9189 3.9189 4.9001 4.9001 5.3921 5.3921 5.6329 5.6329 6.0875 6.0875 k = 0.0821-0.0618-0.1525 ( 15945 PWs) bands (ev): -10.4849 -10.4849 -9.2220 -9.2220 -9.2088 -9.2088 -9.1120 -9.1120 -8.9933 -8.9933 -8.9839 -8.9839 -7.7340 -7.7340 -6.4886 -6.4886 -1.5333 -1.5333 -1.2278 -1.2278 -1.1489 -1.1489 -0.7586 -0.7586 -0.4992 -0.4992 -0.0337 -0.0337 0.3666 0.3666 0.9877 0.9877 1.0941 1.0941 1.1703 1.1703 1.2919 1.2919 1.4662 1.4662 1.5322 1.5322 1.8726 1.8726 1.9613 1.9613 2.0659 2.0659 2.2264 2.2264 2.3445 2.3445 3.9397 3.9397 4.8874 4.8874 5.4151 5.4151 5.6365 5.6365 6.0909 6.0909 k = 0.0938-0.0707-0.1743 ( 15951 PWs) bands (ev): -10.4727 -10.4727 -9.2527 -9.2527 -9.2059 -9.2059 -9.1178 -9.1178 -8.9958 -8.9958 -8.9840 -8.9840 -7.6999 -7.6999 -6.4974 -6.4974 -1.5281 -1.5281 -1.2352 -1.2352 -1.1353 -1.1353 -0.7628 -0.7628 -0.4756 -0.4756 -0.0320 -0.0320 0.3943 0.3943 0.9539 0.9539 1.0748 1.0748 1.1496 1.1496 1.2880 1.2880 1.4648 1.4648 1.5399 1.5399 1.8535 1.8535 1.9376 1.9376 2.0676 2.0676 2.2301 2.2301 2.3618 2.3618 3.9621 3.9621 4.8736 4.8736 5.4391 5.4391 5.6430 5.6430 6.0940 6.0940 k = 0.1055-0.0795-0.1961 ( 15955 PWs) bands (ev): -10.4589 -10.4589 -9.2868 -9.2868 -9.2015 -9.2015 -9.1239 -9.1239 -8.9990 -8.9990 -8.9840 -8.9840 -7.6634 -7.6634 -6.5074 -6.5074 -1.5227 -1.5227 -1.2435 -1.2435 -1.1170 -1.1170 -0.7688 -0.7688 -0.4511 -0.4511 -0.0308 -0.0308 0.4225 0.4225 0.9217 0.9217 1.0529 1.0529 1.1319 1.1319 1.2826 1.2826 1.4618 1.4618 1.5460 1.5460 1.8365 1.8365 1.9125 1.9125 2.0709 2.0709 2.2324 2.2324 2.3756 2.3756 3.9858 3.9858 4.8590 4.8590 5.4632 5.4632 5.6530 5.6530 6.0966 6.0966 k = 0.1172-0.0883-0.2179 ( 15963 PWs) bands (ev): -10.4436 -10.4436 -9.3227 -9.3227 -9.1968 -9.1968 -9.1300 -9.1300 -9.0027 -9.0027 -8.9840 -8.9840 -7.6249 -7.6249 -6.5186 -6.5186 -1.5170 -1.5170 -1.2516 -1.2516 -1.0949 -1.0949 -0.7766 -0.7766 -0.4269 -0.4269 -0.0305 -0.0305 0.4499 0.4499 0.8928 0.8928 1.0289 1.0289 1.1172 1.1172 1.2760 1.2760 1.4574 1.4574 1.5501 1.5501 1.8210 1.8210 1.8889 1.8889 2.0742 2.0742 2.2334 2.2334 2.3852 2.3852 4.0104 4.0104 4.8439 4.8439 5.4862 5.4862 5.6668 5.6668 6.0982 6.0982 k = 0.1290-0.0972-0.2397 ( 15961 PWs) bands (ev): -10.4269 -10.4269 -9.3598 -9.3598 -9.1921 -9.1921 -9.1361 -9.1361 -9.0069 -9.0069 -8.9840 -8.9840 -7.5849 -7.5849 -6.5310 -6.5310 -1.5110 -1.5110 -1.2589 -1.2589 -1.0694 -1.0694 -0.7858 -0.7858 -0.4038 -0.4038 -0.0310 -0.0310 0.4749 0.4749 0.8690 0.8690 1.0040 1.0040 1.1046 1.1046 1.2687 1.2687 1.4522 1.4522 1.5517 1.5517 1.8058 1.8058 1.8695 1.8695 2.0764 2.0764 2.2333 2.2333 2.3904 2.3904 4.0358 4.0358 4.8286 4.8286 5.5073 5.5073 5.6848 5.6848 6.0985 6.0985 k = 0.1407-0.1060-0.2615 ( 15963 PWs) bands (ev): -10.4087 -10.4087 -9.3978 -9.3978 -9.1881 -9.1881 -9.1415 -9.1415 -9.0116 -9.0116 -8.9839 -8.9839 -7.5438 -7.5438 -6.5447 -6.5447 -1.5047 -1.5047 -1.2651 -1.2651 -1.0411 -1.0411 -0.7964 -0.7964 -0.3831 -0.3831 -0.0323 -0.0323 0.4958 0.4958 0.8512 0.8512 0.9798 0.9798 1.0935 1.0935 1.2614 1.2614 1.4465 1.4465 1.5501 1.5501 1.7905 1.7905 1.8558 1.8558 2.0770 2.0770 2.2320 2.2320 2.3910 2.3910 4.0616 4.0616 4.8131 4.8131 5.5262 5.5262 5.7066 5.7066 6.0970 6.0970 k = 0.1524-0.1148-0.2833 ( 15971 PWs) bands (ev): -10.3892 -10.3892 -9.4363 -9.4363 -9.1854 -9.1854 -9.1455 -9.1455 -9.0166 -9.0166 -8.9839 -8.9839 -7.5019 -7.5019 -6.5596 -6.5596 -1.4978 -1.4978 -1.2700 -1.2700 -1.0104 -1.0104 -0.8081 -0.8081 -0.3656 -0.3656 -0.0337 -0.0337 0.5110 0.5110 0.8393 0.8393 0.9587 0.9587 1.0830 1.0830 1.2547 1.2547 1.4407 1.4407 1.5452 1.5452 1.7756 1.7756 1.8478 1.8478 2.0757 2.0757 2.2297 2.2297 2.3873 2.3873 4.0877 4.0877 4.7976 4.7976 5.5429 5.5429 5.7314 5.7314 6.0932 6.0932 k = 0.1641-0.1237-0.3050 ( 15979 PWs) bands (ev): -10.3684 -10.3684 -9.4751 -9.4751 -9.1852 -9.1852 -9.1470 -9.1470 -9.0220 -9.0220 -8.9838 -8.9838 -7.4594 -7.4594 -6.5758 -6.5758 -1.4903 -1.4903 -1.2733 -1.2733 -0.9780 -0.9780 -0.8207 -0.8207 -0.3523 -0.3523 -0.0348 -0.0348 0.5195 0.5195 0.8304 0.8304 0.9444 0.9444 1.0724 1.0724 1.2493 1.2493 1.4350 1.4350 1.5372 1.5372 1.7623 1.7623 1.8445 1.8445 2.0723 2.0723 2.2266 2.2266 2.3796 2.3796 4.1138 4.1138 4.7822 4.7822 5.5577 5.5577 5.7581 5.7581 6.0871 6.0871 k = 0.1759-0.1325-0.3268 ( 15969 PWs) bands (ev): -10.3463 -10.3463 -9.5139 -9.5139 -9.1881 -9.1881 -9.1454 -9.1454 -9.0276 -9.0276 -8.9836 -8.9836 -7.4167 -7.4167 -6.5932 -6.5932 -1.4822 -1.4822 -1.2751 -1.2751 -0.9453 -0.9453 -0.8331 -0.8331 -0.3441 -0.3441 -0.0345 -0.0345 0.5218 0.5218 0.8193 0.8193 0.9416 0.9416 1.0616 1.0616 1.2457 1.2457 1.4294 1.4294 1.5267 1.5267 1.7517 1.7517 1.8445 1.8445 2.0666 2.0666 2.2227 2.2227 2.3682 2.3682 4.1396 4.1396 4.7667 4.7667 5.5711 5.5711 5.7856 5.7856 6.0788 6.0788 k = 0.1876-0.1413-0.3486 ( 15953 PWs) bands (ev): -10.3231 -10.3231 -9.5525 -9.5525 -9.1934 -9.1934 -9.1415 -9.1415 -9.0335 -9.0335 -8.9834 -8.9834 -7.3739 -7.3739 -6.6117 -6.6117 -1.4732 -1.4732 -1.2753 -1.2753 -0.9162 -0.9162 -0.8423 -0.8423 -0.3413 -0.3413 -0.0321 -0.0321 0.5188 0.5188 0.8031 0.8031 0.9513 0.9513 1.0505 1.0505 1.2440 1.2440 1.4240 1.4240 1.5150 1.5150 1.7437 1.7437 1.8467 1.8467 2.0587 2.0587 2.2184 2.2184 2.3539 2.3539 4.1649 4.1649 4.7511 4.7511 5.5834 5.5834 5.8129 5.8129 6.0689 6.0689 k = 0.1993-0.1501-0.3704 ( 15953 PWs) bands (ev): -10.2988 -10.2988 -9.5908 -9.5908 -9.1999 -9.1999 -9.1362 -9.1362 -9.0396 -9.0396 -8.9831 -8.9831 -7.3313 -7.3313 -6.6315 -6.6315 -1.4633 -1.4633 -1.2739 -1.2739 -0.9023 -0.9023 -0.8367 -0.8367 -0.3441 -0.3441 -0.0269 -0.0269 0.5119 0.5119 0.7830 0.7830 0.9694 0.9694 1.0399 1.0399 1.2439 1.2439 1.4184 1.4184 1.5038 1.5038 1.7382 1.7382 1.8503 1.8503 2.0487 2.0487 2.2136 2.2136 2.3374 2.3374 4.1895 4.1895 4.7352 4.7352 5.5946 5.5946 5.8388 5.8388 6.0585 6.0585 k = 0.2110-0.1590-0.3922 ( 15947 PWs) bands (ev): -10.2735 -10.2735 -9.6285 -9.6285 -9.2071 -9.2071 -9.1304 -9.1304 -9.0460 -9.0460 -8.9826 -8.9826 -7.2890 -7.2890 -6.6524 -6.6524 -1.4526 -1.4526 -1.2710 -1.2710 -0.9100 -0.9100 -0.8108 -0.8108 -0.3518 -0.3518 -0.0189 -0.0189 0.5019 0.5019 0.7616 0.7616 0.9882 0.9882 1.0330 1.0330 1.2450 1.2450 1.4123 1.4123 1.4949 1.4949 1.7345 1.7345 1.8545 1.8545 2.0370 2.0370 2.2086 2.2086 2.3194 2.3194 4.2132 4.2132 4.7191 4.7191 5.6047 5.6047 5.8623 5.8623 6.0492 6.0492 k = 0.2228-0.1678-0.4140 ( 15947 PWs) bands (ev): -10.2474 -10.2474 -9.6655 -9.6655 -9.2145 -9.2145 -9.1244 -9.1244 -9.0524 -9.0524 -8.9819 -8.9819 -7.2472 -7.2472 -6.6744 -6.6744 -1.4408 -1.4408 -1.2665 -1.2665 -0.9272 -0.9272 -0.7770 -0.7770 -0.3637 -0.3637 -0.0080 -0.0080 0.4893 0.4893 0.7408 0.7408 0.9946 0.9946 1.0397 1.0397 1.2471 1.2471 1.4057 1.4057 1.4898 1.4898 1.7322 1.7322 1.8585 1.8585 2.0241 2.0241 2.2034 2.2034 2.3008 2.3008 4.2357 4.2357 4.7027 4.7027 5.6137 5.6137 5.8822 5.8822 6.0428 6.0428 k = 0.2345-0.1766-0.4358 ( 15923 PWs) bands (ev): -10.2205 -10.2205 -9.7017 -9.7017 -9.2220 -9.2220 -9.1184 -9.1184 -9.0589 -9.0589 -8.9810 -8.9810 -7.2061 -7.2061 -6.6974 -6.6974 -1.4281 -1.4281 -1.2606 -1.2606 -0.9481 -0.9481 -0.7416 -0.7416 -0.3787 -0.3787 0.0054 0.0054 0.4743 0.4743 0.7221 0.7221 0.9877 0.9877 1.0577 1.0577 1.2499 1.2499 1.3989 1.3989 1.4891 1.4891 1.7309 1.7309 1.8618 1.8618 2.0107 2.0107 2.1980 2.1980 2.2824 2.2824 4.2569 4.2569 4.6860 4.6860 5.6213 5.6213 5.8974 5.8974 6.0413 6.0413 k = 0.2462-0.1855-0.4576 ( 15937 PWs) bands (ev): -10.1929 -10.1929 -9.7370 -9.7370 -9.2292 -9.2292 -9.1127 -9.1127 -9.0655 -9.0655 -8.9800 -8.9800 -7.1658 -7.1658 -6.7214 -6.7214 -1.4145 -1.4145 -1.2534 -1.2534 -0.9709 -0.9709 -0.7066 -0.7066 -0.3956 -0.3956 0.0209 0.0209 0.4569 0.4569 0.7063 0.7063 0.9775 0.9775 1.0748 1.0748 1.2535 1.2535 1.3929 1.3929 1.4924 1.4924 1.7302 1.7302 1.8635 1.8635 1.9976 1.9976 2.1920 2.1920 2.2654 2.2654 4.2768 4.2768 4.6692 4.6692 5.6273 5.6273 5.9076 5.9076 6.0455 6.0455 k = 0.2579-0.1943-0.4794 ( 15933 PWs) bands (ev): -10.1648 -10.1648 -9.7712 -9.7712 -9.2361 -9.2361 -9.1074 -9.1074 -9.0721 -9.0721 -8.9786 -8.9786 -7.1265 -7.1265 -6.7462 -6.7462 -1.4000 -1.4000 -1.2451 -1.2451 -0.9949 -0.9949 -0.6731 -0.6731 -0.4137 -0.4137 0.0379 0.0379 0.4372 0.4372 0.6940 0.6940 0.9671 0.9671 1.0860 1.0860 1.2579 1.2579 1.3891 1.3891 1.4990 1.4990 1.7300 1.7300 1.8630 1.8630 1.9858 1.9858 2.1852 2.1852 2.2506 2.2506 4.2954 4.2954 4.6523 4.6523 5.6318 5.6318 5.9136 5.9136 6.0547 6.0547 k = 0.2697-0.2031-0.5012 ( 15951 PWs) bands (ev): -10.1364 -10.1364 -9.8043 -9.8043 -9.2426 -9.2426 -9.1027 -9.1027 -9.0785 -9.0785 -8.9771 -8.9771 -7.0881 -7.0881 -6.7718 -6.7718 -1.3847 -1.3847 -1.2359 -1.2359 -1.0194 -1.0194 -0.6420 -0.6420 -0.4321 -0.4321 0.0560 0.0560 0.4157 0.4157 0.6851 0.6851 0.9576 0.9576 1.0898 1.0898 1.2627 1.2627 1.3882 1.3882 1.5080 1.5080 1.7300 1.7300 1.8600 1.8600 1.9760 1.9760 2.1772 2.1772 2.2388 2.2388 4.3126 4.3126 4.6357 4.6357 5.6348 5.6348 5.9174 5.9174 6.0673 6.0673 k = 0.2814-0.2120-0.5229 ( 15945 PWs) bands (ev): -10.1078 -10.1078 -9.8362 -9.8362 -9.2485 -9.2485 -9.0988 -9.0988 -9.0845 -9.0845 -8.9754 -8.9754 -7.0510 -7.0510 -6.7979 -6.7979 -1.3687 -1.3687 -1.2263 -1.2263 -1.0436 -1.0436 -0.6139 -0.6139 -0.4498 -0.4498 0.0745 0.0745 0.3930 0.3930 0.6792 0.6792 0.9493 0.9493 1.0870 1.0870 1.2670 1.2670 1.3901 1.3901 1.5182 1.5182 1.7304 1.7304 1.8544 1.8544 1.9687 1.9687 2.1681 2.1681 2.2304 2.2304 4.3286 4.3286 4.6196 4.6196 5.6367 5.6367 5.9203 5.9203 6.0811 6.0811 k = 0.2931-0.2208-0.5447 ( 15933 PWs) bands (ev): -10.0792 -10.0792 -9.8668 -9.8668 -9.2537 -9.2537 -9.0973 -9.0973 -9.0886 -9.0886 -8.9735 -8.9735 -7.0152 -7.0152 -6.8246 -6.8246 -1.3523 -1.3523 -1.2170 -1.2170 -1.0662 -1.0662 -0.5902 -0.5902 -0.4656 -0.4656 0.0927 0.0927 0.3701 0.3701 0.6755 0.6755 0.9423 0.9423 1.0796 1.0796 1.2699 1.2699 1.3940 1.3940 1.5287 1.5287 1.7314 1.7314 1.8468 1.8468 1.9639 1.9639 2.1583 2.1583 2.2250 2.2250 4.3433 4.3433 4.6042 4.6042 5.6381 5.6381 5.9232 5.9232 6.0948 6.0948 k = 0.3048-0.2296-0.5665 ( 15926 PWs) bands (ev): -10.0507 -10.0507 -9.8959 -9.8959 -9.2580 -9.2580 -9.1008 -9.1008 -9.0882 -9.0882 -8.9716 -8.9716 -6.9808 -6.9808 -6.8515 -6.8515 -1.3357 -1.3357 -1.2095 -1.2095 -1.0855 -1.0855 -0.5731 -0.5731 -0.4773 -0.4773 0.1093 0.1093 0.3486 0.3486 0.6730 0.6730 0.9364 0.9364 1.0703 1.0703 1.2712 1.2712 1.3982 1.3982 1.5383 1.5383 1.7331 1.7331 1.8381 1.8381 1.9613 1.9613 2.1486 2.1486 2.2220 2.2220 4.3568 4.3568 4.5899 4.5899 5.6395 5.6395 5.9262 5.9262 6.1074 6.1074 k = 0.3166-0.2385-0.5883 ( 15928 PWs) bands (ev): -10.0227 -10.0227 -9.9237 -9.9237 -9.2615 -9.2615 -9.1063 -9.1063 -9.0861 -9.0861 -8.9698 -8.9698 -6.9481 -6.9481 -6.8783 -6.8783 -1.3196 -1.3196 -1.2058 -1.2058 -1.0986 -1.0986 -0.5659 -0.5659 -0.4814 -0.4814 0.1229 0.1229 0.3301 0.3301 0.6703 0.6703 0.9308 0.9308 1.0621 1.0621 1.2709 1.2709 1.4016 1.4016 1.5461 1.5461 1.7358 1.7358 1.8293 1.8293 1.9602 1.9602 2.1395 2.1395 2.2207 2.2207 4.3691 4.3691 4.5769 4.5769 5.6416 5.6416 5.9291 5.9291 6.1185 6.1185 k = 0.3283-0.2473-0.6101 ( 15928 PWs) bands (ev): -9.9955 -9.9955 -9.9497 -9.9497 -9.2640 -9.2640 -9.1122 -9.1122 -9.0839 -9.0839 -8.9682 -8.9682 -6.9201 -6.9201 -6.9019 -6.9019 -1.3052 -1.3052 -1.2073 -1.2073 -1.1028 -1.1028 -0.5698 -0.5698 -0.4769 -0.4769 0.1316 0.1316 0.3170 0.3170 0.6665 0.6665 0.9248 0.9248 1.0572 1.0572 1.2695 1.2695 1.4029 1.4029 1.5514 1.5514 1.7392 1.7392 1.8216 1.8216 1.9603 1.9603 2.1312 2.1312 2.2208 2.2208 4.3801 4.3801 4.5655 4.5655 5.6449 5.6449 5.9317 5.9317 6.1281 6.1281 k = 0.3400-0.2561-0.6319 ( 15928 PWs) bands (ev): -9.9772 -9.9772 -9.9661 -9.9661 -9.2654 -9.2654 -9.1179 -9.1179 -9.0819 -9.0819 -8.9668 -8.9668 -6.9345 -6.9345 -6.8844 -6.8844 -1.2950 -1.2950 -1.2114 -1.2114 -1.0980 -1.0980 -0.5811 -0.5811 -0.4675 -0.4675 0.1336 0.1336 0.3113 0.3113 0.6603 0.6603 0.9180 0.9180 1.0571 1.0571 1.2672 1.2672 1.4018 1.4018 1.5540 1.5540 1.7424 1.7424 1.8162 1.8162 1.9612 1.9612 2.1242 2.1242 2.2218 2.2218 4.3896 4.3896 4.5561 4.5561 5.6497 5.6497 5.9335 5.9335 6.1366 6.1366 k = 0.3517-0.2650-0.6537 ( 15926 PWs) bands (ev): -9.9985 -9.9985 -9.9424 -9.9424 -9.2657 -9.2657 -9.1235 -9.1235 -9.0802 -9.0802 -8.9659 -8.9659 -6.9603 -6.9603 -6.8569 -6.8569 -1.2931 -1.2931 -1.2115 -1.2115 -1.0870 -1.0870 -0.5959 -0.5959 -0.4570 -0.4570 0.1286 0.1286 0.3136 0.3136 0.6511 0.6511 0.9111 0.9111 1.0617 1.0617 1.2643 1.2643 1.3981 1.3981 1.5543 1.5543 1.7439 1.7439 1.8143 1.8143 1.9624 1.9624 2.1185 2.1185 2.2236 2.2236 4.3971 4.3971 4.5489 4.5489 5.6563 5.6563 5.9344 5.9344 6.1443 6.1443 k = 0.3635-0.2738-0.6755 ( 15916 PWs) bands (ev): -10.0200 -10.0200 -9.9183 -9.9183 -9.2647 -9.2647 -9.1289 -9.1289 -9.0787 -9.0787 -8.9655 -8.9655 -6.9859 -6.9859 -6.8307 -6.8307 -1.3010 -1.3010 -1.2035 -1.2035 -1.0723 -1.0723 -0.6120 -0.6120 -0.4476 -0.4476 0.1183 0.1183 0.3224 0.3224 0.6388 0.6388 0.9053 0.9053 1.0695 1.0695 1.2613 1.2613 1.3919 1.3919 1.5530 1.5530 1.7424 1.7424 1.8164 1.8164 1.9636 1.9636 2.1147 2.1147 2.2261 2.2261 4.4023 4.4023 4.5441 4.5441 5.6650 5.6650 5.9343 5.9343 6.1518 6.1518 k = 0.6365-0.0245-0.5075 ( 15916 PWs) bands (ev): -10.0200 -10.0200 -9.9183 -9.9183 -9.2647 -9.2647 -9.1289 -9.1289 -9.0787 -9.0787 -8.9655 -8.9655 -6.9859 -6.9859 -6.8307 -6.8307 -1.3010 -1.3010 -1.2035 -1.2035 -1.0723 -1.0723 -0.6120 -0.6120 -0.4476 -0.4476 0.1183 0.1183 0.3224 0.3224 0.6388 0.6388 0.9053 0.9053 1.0695 1.0695 1.2613 1.2613 1.3919 1.3919 1.5530 1.5530 1.7424 1.7424 1.8164 1.8164 1.9636 1.9636 2.1147 2.1147 2.2261 2.2261 4.4023 4.4023 4.5441 4.5441 5.6650 5.6650 5.9343 5.9343 6.1518 6.1518 k = 0.6252-0.0016-0.5075 ( 15924 PWs) bands (ev): -10.0393 -10.0393 -9.8962 -9.8962 -9.2626 -9.2626 -9.1339 -9.1339 -9.0774 -9.0774 -8.9657 -8.9657 -7.0099 -7.0099 -6.8070 -6.8070 -1.3146 -1.3146 -1.1899 -1.1899 -1.0560 -1.0560 -0.6283 -0.6283 -0.4403 -0.4403 0.1055 0.1055 0.3351 0.3351 0.6239 0.6239 0.9017 0.9017 1.0782 1.0782 1.2586 1.2586 1.3838 1.3838 1.5510 1.5510 1.7382 1.7382 1.8213 1.8213 1.9644 1.9644 2.1133 2.1133 2.2290 2.2290 4.4045 4.4045 4.5421 4.5421 5.6753 5.6753 5.9331 5.9331 6.1590 6.1590 k = 0.6138 0.0212-0.5075 ( 15920 PWs) bands (ev): -10.0570 -10.0570 -9.8757 -9.8757 -9.2595 -9.2595 -9.1385 -9.1385 -9.0761 -9.0761 -8.9666 -8.9666 -7.0329 -7.0329 -6.7851 -6.7851 -1.3305 -1.3305 -1.1736 -1.1736 -1.0387 -1.0387 -0.6445 -0.6445 -0.4352 -0.4352 0.0919 0.0919 0.3500 0.3500 0.6069 0.6069 0.9006 0.9006 1.0863 1.0863 1.2564 1.2564 1.3741 1.3741 1.5491 1.5491 1.7319 1.7319 1.8278 1.8278 1.9645 1.9645 2.1147 2.1147 2.2322 2.2322 4.4039 4.4039 4.5427 4.5427 5.6874 5.6874 5.9311 5.9311 6.1665 6.1665 k = 0.6024 0.0440-0.5075 ( 15918 PWs) bands (ev): -10.0732 -10.0732 -9.8569 -9.8569 -9.2553 -9.2553 -9.1429 -9.1429 -9.0748 -9.0748 -8.9681 -8.9681 -7.0546 -7.0546 -6.7650 -6.7650 -1.3469 -1.3469 -1.1559 -1.1559 -1.0210 -1.0210 -0.6606 -0.6606 -0.4324 -0.4324 0.0788 0.0788 0.3658 0.3658 0.5886 0.5886 0.9022 0.9022 1.0921 1.0921 1.2551 1.2551 1.3634 1.3634 1.5477 1.5477 1.7241 1.7241 1.8346 1.8346 1.9632 1.9632 2.1195 2.1195 2.2356 2.2356 4.4003 4.4003 4.5455 4.5455 5.7012 5.7012 5.9282 5.9282 6.1742 6.1742 k = 0.5910 0.0668-0.5075 ( 15918 PWs) bands (ev): -10.0877 -10.0877 -9.8399 -9.8399 -9.2502 -9.2502 -9.1470 -9.1470 -9.0734 -9.0734 -8.9704 -8.9704 -7.0747 -7.0747 -6.7469 -6.7469 -1.3626 -1.3626 -1.1377 -1.1377 -1.0035 -1.0035 -0.6762 -0.6762 -0.4319 -0.4319 0.0670 0.0670 0.3816 0.3816 0.5701 0.5701 0.9065 0.9065 1.0947 1.0947 1.2549 1.2549 1.3520 1.3520 1.5472 1.5472 1.7151 1.7151 1.8411 1.8411 1.9604 1.9604 2.1280 2.1280 2.2390 2.2390 4.3942 4.3942 4.5500 4.5500 5.7165 5.7165 5.9245 5.9245 6.1822 6.1822 k = 0.5796 0.0896-0.5075 ( 15926 PWs) bands (ev): -10.1006 -10.1006 -9.8250 -9.8250 -9.2444 -9.2444 -9.1507 -9.1507 -9.0719 -9.0719 -8.9733 -8.9733 -7.0931 -7.0931 -6.7308 -6.7308 -1.3772 -1.3772 -1.1196 -1.1196 -0.9868 -0.9868 -0.6910 -0.6910 -0.4335 -0.4335 0.0569 0.0569 0.3965 0.3965 0.5523 0.5523 0.9130 0.9130 1.0934 1.0934 1.2556 1.2556 1.3407 1.3407 1.5480 1.5480 1.7051 1.7051 1.8471 1.8471 1.9560 1.9560 2.1397 2.1397 2.2422 2.2422 4.3863 4.3863 4.5555 4.5555 5.7330 5.7330 5.9200 5.9200 6.1905 6.1905 k = 0.5683 0.1124-0.5075 ( 15944 PWs) bands (ev): -10.1117 -10.1117 -9.8121 -9.8121 -9.2383 -9.2383 -9.1541 -9.1541 -9.0703 -9.0703 -8.9767 -8.9767 -7.1095 -7.1095 -6.7168 -6.7168 -1.3903 -1.3903 -1.1020 -1.1020 -0.9714 -0.9714 -0.7048 -0.7048 -0.4368 -0.4368 0.0486 0.0486 0.4099 0.4099 0.5363 0.5363 0.9216 0.9216 1.0885 1.0885 1.2571 1.2571 1.3300 1.3300 1.5502 1.5502 1.6943 1.6943 1.8526 1.8526 1.9503 1.9503 2.1539 2.1539 2.2450 2.2450 4.3772 4.3772 4.5615 4.5615 5.7503 5.7503 5.9147 5.9147 6.1987 6.1987 k = 0.5569 0.1353-0.5075 ( 15944 PWs) bands (ev): -10.1212 -10.1212 -9.8012 -9.8012 -9.2320 -9.2320 -9.1572 -9.1572 -9.0685 -9.0685 -8.9806 -8.9806 -7.1237 -7.1237 -6.7048 -6.7048 -1.4016 -1.4016 -1.0853 -1.0853 -0.9578 -0.9578 -0.7172 -0.7172 -0.4413 -0.4413 0.0421 0.0421 0.4211 0.4211 0.5229 0.5229 0.9319 0.9319 1.0804 1.0804 1.2588 1.2588 1.3202 1.3202 1.5538 1.5538 1.6829 1.6829 1.8577 1.8577 1.9436 1.9436 2.1695 2.1695 2.2472 2.2472 4.3677 4.3677 4.5673 4.5673 5.7681 5.7681 5.9084 5.9084 6.2067 6.2067 k = 0.5455 0.1581-0.5075 ( 15924 PWs) bands (ev): -10.1290 -10.1290 -9.7923 -9.7923 -9.2261 -9.2261 -9.1599 -9.1599 -9.0665 -9.0665 -8.9845 -8.9845 -7.1356 -7.1356 -6.6949 -6.6949 -1.4111 -1.4111 -1.0699 -1.0699 -0.9467 -0.9467 -0.7277 -0.7277 -0.4464 -0.4464 0.0372 0.0372 0.4294 0.4294 0.5128 0.5128 0.9435 0.9435 1.0698 1.0698 1.2606 1.2606 1.3117 1.3117 1.5587 1.5587 1.6714 1.6714 1.8625 1.8625 1.9366 1.9366 2.1852 2.1852 2.2484 2.2484 4.3586 4.3586 4.5726 4.5726 5.7860 5.7860 5.9009 5.9009 6.2141 6.2141 k = 0.5341 0.1809-0.5075 ( 15924 PWs) bands (ev): -10.1351 -10.1351 -9.7855 -9.7855 -9.2208 -9.2208 -9.1621 -9.1621 -9.0646 -9.0646 -8.9883 -8.9883 -7.1450 -7.1450 -6.6872 -6.6872 -1.4185 -1.4185 -1.0567 -1.0567 -0.9383 -0.9383 -0.7360 -0.7360 -0.4514 -0.4514 0.0336 0.0336 0.4345 0.4345 0.5063 0.5063 0.9560 0.9560 1.0576 1.0576 1.2620 1.2620 1.3049 1.3049 1.5643 1.5643 1.6602 1.6602 1.8670 1.8670 1.9297 1.9297 2.2000 2.2000 2.2485 2.2485 4.3506 4.3506 4.5771 4.5771 5.8035 5.8035 5.8922 5.8922 6.2206 6.2206 k = 0.5228 0.2037-0.5075 ( 15924 PWs) bands (ev): -10.1394 -10.1394 -9.7806 -9.7806 -9.2166 -9.2166 -9.1639 -9.1639 -9.0629 -9.0629 -8.9914 -8.9914 -7.1519 -7.1519 -6.6817 -6.6817 -1.4239 -1.4239 -1.0463 -1.0463 -0.9327 -0.9327 -0.7420 -0.7420 -0.4556 -0.4556 0.0312 0.0312 0.4369 0.4369 0.5030 0.5030 0.9686 0.9686 1.0449 1.0449 1.2631 1.2631 1.2998 1.2998 1.5701 1.5701 1.6504 1.6504 1.8709 1.8709 1.9238 1.9238 2.2127 2.2127 2.2473 2.2473 4.3444 4.3444 4.5804 4.5804 5.8200 5.8200 5.8824 5.8824 6.2256 6.2256 k = 0.5114 0.2265-0.5075 ( 15920 PWs) bands (ev): -10.1420 -10.1420 -9.7777 -9.7777 -9.2139 -9.2139 -9.1651 -9.1651 -9.0617 -9.0617 -8.9936 -8.9936 -7.1560 -7.1560 -6.6784 -6.6784 -1.4271 -1.4271 -1.0395 -1.0395 -0.9297 -0.9297 -0.7455 -0.7455 -0.4584 -0.4584 0.0299 0.0299 0.4377 0.4377 0.5018 0.5018 0.9797 0.9797 1.0337 1.0337 1.2637 1.2637 1.2968 1.2968 1.5748 1.5748 1.6432 1.6432 1.8739 1.8739 1.9195 1.9195 2.2222 2.2222 2.2451 2.2451 4.3404 4.3404 4.5825 4.5825 5.8344 5.8344 5.8723 5.8723 6.2288 6.2288 k = 0.5000 0.2493-0.5075 ( 15906 PWs) bands (ev): -10.1429 -10.1429 -9.7767 -9.7767 -9.2129 -9.2129 -9.1655 -9.1655 -9.0613 -9.0613 -8.9944 -8.9944 -7.1574 -7.1574 -6.6773 -6.6773 -1.4282 -1.4282 -1.0372 -1.0372 -0.9288 -0.9288 -0.7466 -0.7466 -0.4594 -0.4594 0.0294 0.0294 0.4378 0.4378 0.5015 0.5015 0.9848 0.9848 1.0285 1.0285 1.2640 1.2640 1.2957 1.2957 1.5767 1.5767 1.6405 1.6405 1.8750 1.8750 1.9179 1.9179 2.2262 2.2262 2.2437 2.2437 4.3390 4.3390 4.5832 4.5832 5.8418 5.8418 5.8663 5.8663 6.2299 6.2299 k = 0.5000 0.2493-0.5075 ( 15906 PWs) bands (ev): -10.1429 -10.1429 -9.7767 -9.7767 -9.2129 -9.2129 -9.1655 -9.1655 -9.0613 -9.0613 -8.9944 -8.9944 -7.1574 -7.1574 -6.6773 -6.6773 -1.4282 -1.4282 -1.0372 -1.0372 -0.9288 -0.9288 -0.7466 -0.7466 -0.4594 -0.4594 0.0294 0.0294 0.4378 0.4378 0.5015 0.5015 0.9848 0.9848 1.0285 1.0285 1.2640 1.2640 1.2957 1.2957 1.5767 1.5767 1.6405 1.6405 1.8750 1.8750 1.9179 1.9179 2.2262 2.2262 2.2437 2.2437 4.3390 4.3390 4.5832 4.5832 5.8418 5.8418 5.8663 5.8663 6.2299 6.2299 k = 0.5152 0.2569-0.4888 ( 15908 PWs) bands (ev): -10.1435 -10.1435 -9.7759 -9.7759 -9.2128 -9.2128 -9.1663 -9.1663 -9.0604 -9.0604 -8.9944 -8.9944 -7.1586 -7.1586 -6.6764 -6.6764 -1.4288 -1.4288 -1.0396 -1.0396 -0.9259 -0.9259 -0.7480 -0.7480 -0.4576 -0.4576 0.0297 0.0297 0.4355 0.4355 0.5050 0.5050 0.9826 0.9826 1.0299 1.0299 1.2575 1.2575 1.3025 1.3025 1.5738 1.5738 1.6418 1.6418 1.8739 1.8739 1.9190 1.9190 2.2232 2.2232 2.2455 2.2455 4.3395 4.3395 4.5846 4.5846 5.8383 5.8383 5.8710 5.8710 6.2288 6.2288 k = 0.5303 0.2645-0.4702 ( 15913 PWs) bands (ev): -10.1454 -10.1454 -9.7736 -9.7736 -9.2125 -9.2125 -9.1685 -9.1685 -9.0578 -9.0578 -8.9945 -8.9945 -7.1621 -7.1621 -6.6738 -6.6738 -1.4305 -1.4305 -1.0461 -1.0461 -0.9182 -0.9182 -0.7518 -0.7518 -0.4522 -0.4522 0.0304 0.0304 0.4300 0.4300 0.5144 0.5144 0.9767 0.9767 1.0333 1.0333 1.2454 1.2454 1.3157 1.3157 1.5659 1.5659 1.6452 1.6452 1.8709 1.8709 1.9218 1.9218 2.2164 2.2164 2.2490 2.2490 4.3408 4.3408 4.5890 4.5890 5.8318 5.8318 5.8811 5.8811 6.2253 6.2253 k = 0.5455 0.2720-0.4515 ( 15913 PWs) bands (ev): -10.1486 -10.1486 -9.7696 -9.7696 -9.2120 -9.2120 -9.1719 -9.1719 -9.0539 -9.0539 -8.9948 -8.9948 -7.1679 -7.1679 -6.6695 -6.6695 -1.4332 -1.4332 -1.0551 -1.0551 -0.9073 -0.9073 -0.7578 -0.7578 -0.4437 -0.4437 0.0315 0.0315 0.4231 0.4231 0.5274 0.5274 0.9687 0.9687 1.0372 1.0372 1.2328 1.2328 1.3300 1.3300 1.5549 1.5549 1.6496 1.6496 1.8668 1.8668 1.9253 1.9253 2.2076 2.2076 2.2524 2.2524 4.3429 4.3429 4.5962 4.5962 5.8256 5.8256 5.8930 5.8930 6.2195 6.2195 k = 0.5607 0.2796-0.4328 ( 15916 PWs) bands (ev): -10.1529 -10.1529 -9.7642 -9.7642 -9.2114 -9.2114 -9.1759 -9.1759 -9.0490 -9.0490 -8.9951 -8.9951 -7.1757 -7.1757 -6.6638 -6.6638 -1.4368 -1.4368 -1.0652 -1.0652 -0.8951 -0.8951 -0.7653 -0.7653 -0.4325 -0.4325 0.0332 0.0332 0.4162 0.4162 0.5427 0.5427 0.9594 0.9594 1.0405 1.0405 1.2212 1.2212 1.3437 1.3437 1.5426 1.5426 1.6541 1.6541 1.8622 1.8622 1.9285 1.9285 2.1977 2.1977 2.2551 2.2551 4.3457 4.3457 4.6059 4.6059 5.8208 5.8208 5.9057 5.9057 6.2116 6.2116 k = 0.5759 0.2872-0.4142 ( 15911 PWs) bands (ev): -10.1583 -10.1583 -9.7574 -9.7574 -9.2108 -9.2108 -9.1801 -9.1801 -9.0434 -9.0434 -8.9954 -8.9954 -7.1855 -7.1855 -6.6568 -6.6568 -1.4414 -1.4414 -1.0755 -1.0755 -0.8830 -0.8830 -0.7734 -0.7734 -0.4192 -0.4192 0.0355 0.0355 0.4097 0.4097 0.5594 0.5594 0.9493 0.9493 1.0425 1.0425 1.2114 1.2114 1.3559 1.3559 1.5304 1.5304 1.6586 1.6586 1.8573 1.8573 1.9309 1.9309 2.1870 2.1870 2.2571 2.2571 4.3490 4.3490 4.6180 4.6180 5.8176 5.8176 5.9185 5.9185 6.2018 6.2018 k = 0.5910 0.2947-0.3955 ( 15910 PWs) bands (ev): -10.1648 -10.1648 -9.7492 -9.7492 -9.2107 -9.2107 -9.1840 -9.1840 -9.0375 -9.0375 -8.9958 -8.9958 -7.1970 -7.1970 -6.6488 -6.6488 -1.4466 -1.4466 -1.0855 -1.0855 -0.8728 -0.8728 -0.7807 -0.7807 -0.4044 -0.4044 0.0383 0.0383 0.4040 0.4040 0.5768 0.5768 0.9388 0.9388 1.0430 1.0430 1.2036 1.2036 1.3657 1.3657 1.5199 1.5199 1.6628 1.6628 1.8525 1.8525 1.9322 1.9322 2.1758 2.1758 2.2584 2.2584 4.3525 4.3525 4.6321 4.6321 5.8159 5.8159 5.9310 5.9310 6.1903 6.1903 k = 0.6062 0.3023-0.3768 ( 15930 PWs) bands (ev): -10.1723 -10.1723 -9.7397 -9.7397 -9.2112 -9.2112 -9.1867 -9.1867 -9.0316 -9.0316 -8.9961 -8.9961 -7.2099 -7.2099 -6.6400 -6.6400 -1.4525 -1.4525 -1.0949 -1.0949 -0.8662 -0.8662 -0.7855 -0.7855 -0.3887 -0.3887 0.0418 0.0418 0.3992 0.3992 0.5945 0.5945 0.9279 0.9279 1.0421 1.0421 1.1979 1.1979 1.3727 1.3727 1.5121 1.5121 1.6669 1.6669 1.8479 1.8479 1.9323 1.9323 2.1644 2.1644 2.2592 2.2592 4.3560 4.3560 4.6479 4.6479 5.8154 5.8154 5.9429 5.9429 6.1776 6.1776 k = 0.6214 0.3099-0.3582 ( 15935 PWs) bands (ev): -10.1807 -10.1807 -9.7290 -9.7290 -9.2128 -9.2128 -9.1880 -9.1880 -9.0260 -9.0260 -8.9963 -8.9963 -7.2241 -7.2241 -6.6306 -6.6306 -1.4589 -1.4589 -1.1035 -1.1035 -0.8651 -0.8651 -0.7862 -0.7862 -0.3727 -0.3727 0.0461 0.0461 0.3952 0.3952 0.6120 0.6120 0.9167 0.9167 1.0401 1.0401 1.1939 1.1939 1.3767 1.3767 1.5074 1.5074 1.6709 1.6709 1.8436 1.8436 1.9313 1.9313 2.1530 2.1530 2.2596 2.2596 4.3590 4.3590 4.6652 4.6652 5.8159 5.8159 5.9538 5.9538 6.1643 6.1643 k = 0.6365 0.3174-0.3395 ( 15937 PWs) bands (ev): -10.1899 -10.1899 -9.7172 -9.7172 -9.2153 -9.2153 -9.1877 -9.1877 -9.0208 -9.0208 -8.9963 -8.9963 -7.2393 -7.2393 -6.6209 -6.6209 -1.4655 -1.4655 -1.1113 -1.1113 -0.8696 -0.8696 -0.7824 -0.7824 -0.3571 -0.3571 0.0513 0.0513 0.3921 0.3921 0.6289 0.6289 0.9055 0.9055 1.0376 1.0376 1.1915 1.1915 1.3785 1.3785 1.5056 1.5056 1.6747 1.6747 1.8398 1.8398 1.9297 1.9297 2.1418 2.1418 2.2599 2.2599 4.3611 4.3611 4.6837 4.6837 5.8165 5.8165 5.9632 5.9632 6.1514 6.1514 k = 0.6365 0.3174-0.3395 ( 15937 PWs) bands (ev): -10.1899 -10.1899 -9.7172 -9.7172 -9.2153 -9.2153 -9.1877 -9.1877 -9.0208 -9.0208 -8.9963 -8.9963 -7.2393 -7.2393 -6.6209 -6.6209 -1.4655 -1.4655 -1.1113 -1.1113 -0.8696 -0.8696 -0.7824 -0.7824 -0.3571 -0.3571 0.0513 0.0513 0.3921 0.3921 0.6289 0.6289 0.9055 0.9055 1.0376 1.0376 1.1915 1.1915 1.3785 1.3785 1.5056 1.5056 1.6747 1.6747 1.8398 1.8398 1.9297 1.9297 2.1418 2.1418 2.2599 2.2599 4.3611 4.3611 4.6837 4.6837 5.8165 5.8165 5.9632 5.9632 6.1514 6.1514 k = 0.6297 0.3140-0.3141 ( 15928 PWs) bands (ev): -10.2097 -10.2097 -9.6869 -9.6869 -9.2237 -9.2237 -9.1871 -9.1871 -9.0155 -9.0155 -8.9940 -8.9940 -7.2704 -7.2704 -6.5993 -6.5993 -1.4639 -1.4639 -1.1299 -1.1299 -0.8837 -0.8837 -0.7682 -0.7682 -0.3318 -0.3318 0.0508 0.0508 0.3859 0.3859 0.6382 0.6382 0.8942 0.8942 1.0358 1.0358 1.1895 1.1895 1.3701 1.3701 1.5079 1.5079 1.6745 1.6745 1.8364 1.8364 1.9267 1.9267 2.1335 2.1335 2.2658 2.2658 4.3518 4.3518 4.7142 4.7142 5.8082 5.8082 5.9600 5.9600 6.1538 6.1538 k = 0.6229 0.3106-0.2888 ( 15922 PWs) bands (ev): -10.2308 -10.2308 -9.6534 -9.6534 -9.2333 -9.2333 -9.1847 -9.1847 -9.0107 -9.0107 -8.9915 -8.9915 -7.3046 -7.3046 -6.5769 -6.5769 -1.4624 -1.4624 -1.1468 -1.1468 -0.9011 -0.9011 -0.7537 -0.7537 -0.3085 -0.3085 0.0492 0.0492 0.3827 0.3827 0.6494 0.6494 0.8820 0.8820 1.0348 1.0348 1.1868 1.1868 1.3619 1.3619 1.5105 1.5105 1.6741 1.6741 1.8324 1.8324 1.9254 1.9254 2.1259 2.1259 2.2729 2.2729 4.3396 4.3396 4.7477 4.7477 5.7944 5.7944 5.9546 5.9546 6.1604 6.1604 k = 0.6161 0.3072-0.2634 ( 15928 PWs) bands (ev): -10.2526 -10.2526 -9.6175 -9.6175 -9.2434 -9.2434 -9.1813 -9.1813 -9.0064 -9.0064 -8.9886 -8.9886 -7.3413 -7.3413 -6.5542 -6.5542 -1.4611 -1.4611 -1.1614 -1.1614 -0.9200 -0.9200 -0.7405 -0.7405 -0.2892 -0.2892 0.0465 0.0465 0.3841 0.3841 0.6617 0.6617 0.8694 0.8694 1.0339 1.0339 1.1837 1.1837 1.3555 1.3555 1.5123 1.5123 1.6727 1.6727 1.8290 1.8290 1.9259 1.9259 2.1190 2.1190 2.2807 2.2807 4.3250 4.3250 4.7830 4.7830 5.7753 5.7753 5.9463 5.9463 6.1723 6.1723 k = 0.6092 0.3038-0.2380 ( 15922 PWs) bands (ev): -10.2744 -10.2744 -9.5799 -9.5799 -9.2536 -9.2536 -9.1772 -9.1772 -9.0024 -9.0024 -8.9856 -8.9856 -7.3798 -7.3798 -6.5317 -6.5317 -1.4603 -1.4603 -1.1733 -1.1733 -0.9397 -0.9397 -0.7292 -0.7292 -0.2753 -0.2753 0.0429 0.0429 0.3909 0.3909 0.6745 0.6745 0.8569 0.8569 1.0323 1.0323 1.1811 1.1811 1.3514 1.3514 1.5130 1.5130 1.6688 1.6688 1.8285 1.8285 1.9282 1.9282 2.1124 2.1124 2.2891 2.2891 4.3078 4.3078 4.8196 4.8196 5.7512 5.7512 5.9352 5.9352 6.1895 6.1895 k = 0.6024 0.3004-0.2126 ( 15915 PWs) bands (ev): -10.2959 -10.2959 -9.5411 -9.5411 -9.2638 -9.2638 -9.1725 -9.1725 -8.9989 -8.9989 -8.9827 -8.9827 -7.4197 -7.4197 -6.5098 -6.5098 -1.4601 -1.4601 -1.1819 -1.1819 -0.9595 -0.9595 -0.7198 -0.7198 -0.2679 -0.2679 0.0381 0.0381 0.4037 0.4037 0.6874 0.6874 0.8450 0.8450 1.0292 1.0292 1.1797 1.1797 1.3494 1.3494 1.5131 1.5131 1.6608 1.6608 1.8325 1.8325 1.9324 1.9324 2.1058 2.1058 2.2978 2.2978 4.2882 4.2882 4.8567 4.8567 5.7226 5.7226 5.9214 5.9214 6.2113 6.2113 k = 0.5956 0.2970-0.1873 ( 15926 PWs) bands (ev): -10.3167 -10.3167 -9.5015 -9.5015 -9.2737 -9.2737 -9.1673 -9.1673 -8.9957 -8.9957 -8.9800 -8.9800 -7.4604 -7.4604 -6.4888 -6.4888 -1.4607 -1.4607 -1.1872 -1.1872 -0.9791 -0.9791 -0.7123 -0.7123 -0.2672 -0.2672 0.0323 0.0323 0.4220 0.4220 0.7002 0.7002 0.8344 0.8344 1.0243 1.0243 1.1800 1.1800 1.3487 1.3487 1.5139 1.5139 1.6482 1.6482 1.8418 1.8418 1.9384 1.9384 2.0989 2.0989 2.3064 2.3064 4.2663 4.2663 4.8938 4.8938 5.6903 5.6903 5.9056 5.9056 6.2364 6.2364 k = 0.5887 0.2936-0.1619 ( 15933 PWs) bands (ev): -10.3366 -10.3366 -9.4616 -9.4616 -9.2832 -9.2832 -9.1618 -9.1618 -8.9927 -8.9927 -8.9776 -8.9776 -7.5016 -7.5016 -6.4688 -6.4688 -1.4619 -1.4619 -1.1892 -1.1892 -0.9981 -0.9981 -0.7067 -0.7067 -0.2730 -0.2730 0.0253 0.0253 0.4449 0.4449 0.7123 0.7123 0.8262 0.8262 1.0179 1.0179 1.1824 1.1824 1.3480 1.3480 1.5164 1.5164 1.6317 1.6317 1.8558 1.8558 1.9464 1.9464 2.0915 2.0915 2.3146 2.3146 4.2422 4.2422 4.9307 4.9307 5.6548 5.6548 5.8883 5.8883 6.2636 6.2636 k = 0.5819 0.2902-0.1365 ( 15930 PWs) bands (ev): -10.3554 -10.3554 -9.4217 -9.4217 -9.2923 -9.2923 -9.1559 -9.1559 -8.9899 -8.9899 -8.9756 -8.9756 -7.5427 -7.5427 -6.4500 -6.4500 -1.4639 -1.4639 -1.1879 -1.1879 -1.0162 -1.0162 -0.7028 -0.7028 -0.2845 -0.2845 0.0170 0.0170 0.4706 0.4706 0.7232 0.7232 0.8216 0.8216 1.0106 1.0106 1.1868 1.1868 1.3459 1.3459 1.5209 1.5209 1.6134 1.6134 1.8728 1.8728 1.9565 1.9565 2.0836 2.0836 2.3220 2.3220 4.2161 4.2161 4.9669 4.9669 5.6168 5.6168 5.8701 5.8701 6.2914 6.2914 k = 0.5751 0.2868-0.1111 ( 15935 PWs) bands (ev): -10.3731 -10.3731 -9.3822 -9.3822 -9.3009 -9.3009 -9.1498 -9.1498 -8.9873 -8.9873 -8.9741 -8.9741 -7.5835 -7.5835 -6.4325 -6.4325 -1.4664 -1.4664 -1.1837 -1.1837 -1.0331 -1.0331 -0.7005 -0.7005 -0.3004 -0.3004 0.0077 0.0077 0.4973 0.4973 0.7317 0.7317 0.8227 0.8227 1.0030 1.0030 1.1928 1.1928 1.3417 1.3417 1.5249 1.5249 1.5969 1.5969 1.8910 1.8910 1.9692 1.9692 2.0755 2.0755 2.3281 2.3281 4.1883 4.1883 5.0023 5.0023 5.5772 5.5772 5.8514 5.8514 6.3186 6.3186 k = 0.5683 0.2834-0.0858 ( 15923 PWs) bands (ev): -10.3895 -10.3895 -9.3436 -9.3436 -9.3087 -9.3087 -9.1436 -9.1436 -8.9850 -8.9850 -8.9730 -8.9730 -7.6234 -7.6234 -6.4164 -6.4164 -1.4693 -1.4693 -1.1770 -1.1770 -1.0484 -1.0484 -0.6999 -0.6999 -0.3197 -0.3197 -0.0027 -0.0027 0.5228 0.5228 0.7373 0.7373 0.8308 0.8308 0.9959 0.9959 1.1999 1.1999 1.3355 1.3355 1.5221 1.5221 1.5887 1.5887 1.9087 1.9087 1.9850 1.9850 2.0681 2.0681 2.3327 2.3327 4.1591 4.1591 5.0366 5.0366 5.5367 5.5367 5.8327 5.8327 6.3443 6.3443 k = 0.5614 0.2800-0.0604 ( 15935 PWs) bands (ev): -10.4045 -10.4045 -9.3176 -9.3176 -9.3047 -9.3047 -9.1374 -9.1374 -8.9830 -8.9830 -8.9723 -8.9723 -7.6620 -7.6620 -6.4018 -6.4018 -1.4725 -1.4725 -1.1685 -1.1685 -1.0618 -1.0618 -0.7008 -0.7008 -0.3413 -0.3413 -0.0137 -0.0137 0.5454 0.5454 0.7407 0.7407 0.8458 0.8458 0.9901 0.9901 1.2075 1.2075 1.3277 1.3277 1.5085 1.5085 1.5925 1.5925 1.9240 1.9240 2.0038 2.0038 2.0627 2.0627 2.3352 2.3352 4.1289 4.1289 5.0697 5.0697 5.4963 5.4963 5.8144 5.8144 6.3678 6.3678 k = 0.5546 0.2766-0.0350 ( 15941 PWs) bands (ev): -10.4181 -10.4181 -9.3235 -9.3235 -9.2695 -9.2695 -9.1312 -9.1312 -8.9814 -8.9814 -8.9720 -8.9720 -7.6988 -7.6988 -6.3886 -6.3886 -1.4757 -1.4757 -1.1587 -1.1587 -1.0729 -1.0729 -0.7031 -0.7031 -0.3640 -0.3640 -0.0249 -0.0249 0.5635 0.5635 0.7438 0.7438 0.8663 0.8663 0.9860 0.9860 1.2147 1.2147 1.3187 1.3187 1.4888 1.4888 1.6027 1.6027 1.9358 1.9358 2.0238 2.0238 2.0625 2.0625 2.3353 2.3353 4.0983 4.0983 5.1012 5.1012 5.4569 5.4569 5.7967 5.7967 6.3887 6.3887 k = 0.5478 0.2732-0.0096 ( 15943 PWs) bands (ev): -10.4302 -10.4302 -9.3295 -9.3295 -9.2359 -9.2359 -9.1251 -9.1251 -8.9802 -8.9802 -8.9721 -8.9721 -7.7333 -7.7333 -6.3770 -6.3770 -1.4788 -1.4788 -1.1490 -1.1490 -1.0810 -1.0810 -0.7068 -0.7068 -0.3868 -0.3868 -0.0361 -0.0361 0.5765 0.5765 0.7476 0.7476 0.8909 0.8909 0.9841 0.9841 1.2204 1.2204 1.3090 1.3090 1.4681 1.4681 1.6139 1.6139 1.9432 1.9432 2.0407 2.0407 2.0723 2.0723 2.3329 2.3329 4.0679 4.0679 5.1309 5.1309 5.4196 5.4196 5.7799 5.7799 6.4069 6.4069 k = 0.5410 0.2698 0.0157 ( 15949 PWs) bands (ev): -10.4408 -10.4408 -9.3348 -9.3348 -9.2049 -9.2049 -9.1192 -9.1192 -8.9795 -8.9795 -8.9722 -8.9722 -7.7650 -7.7650 -6.3669 -6.3669 -1.4818 -1.4818 -1.1406 -1.1406 -1.0850 -1.0850 -0.7117 -0.7117 -0.4088 -0.4088 -0.0467 -0.0467 0.5847 0.5847 0.7522 0.7522 0.9180 0.9180 0.9848 0.9848 1.2233 1.2233 1.2985 1.2985 1.4496 1.4496 1.6238 1.6238 1.9459 1.9459 2.0536 2.0536 2.0927 2.0927 2.3279 2.3279 4.0385 4.0385 5.1584 5.1584 5.3851 5.3851 5.7643 5.7643 6.4224 6.4224 k = 0.5341 0.2664 0.0411 ( 15960 PWs) bands (ev): -10.4498 -10.4498 -9.3394 -9.3394 -9.1773 -9.1773 -9.1135 -9.1135 -8.9794 -8.9794 -8.9725 -8.9725 -7.7932 -7.7932 -6.3584 -6.3584 -1.4845 -1.4845 -1.1354 -1.1354 -1.0841 -1.0841 -0.7176 -0.7176 -0.4289 -0.4289 -0.0564 -0.0564 0.5891 0.5891 0.7571 0.7571 0.9466 0.9466 0.9881 0.9881 1.2225 1.2225 1.2871 1.2871 1.4351 1.4351 1.6310 1.6310 1.9451 1.9451 2.0674 2.0674 2.1168 2.1168 2.3205 2.3205 4.0111 4.0111 5.1835 5.1835 5.3543 5.3543 5.7502 5.7502 6.4353 6.4353 k = 0.5273 0.2630 0.0665 ( 15963 PWs) bands (ev): -10.4572 -10.4572 -9.3432 -9.3432 -9.1539 -9.1539 -9.1080 -9.1080 -8.9797 -8.9797 -8.9728 -8.9728 -7.8174 -7.8174 -6.3514 -6.3514 -1.4869 -1.4869 -1.1336 -1.1336 -1.0787 -1.0787 -0.7240 -0.7240 -0.4465 -0.4465 -0.0649 -0.0649 0.5909 0.5909 0.7615 0.7615 0.9748 0.9748 0.9940 0.9940 1.2178 1.2178 1.2742 1.2742 1.4259 1.4259 1.6355 1.6355 1.9425 1.9425 2.0833 2.0833 2.1400 2.1400 2.3111 2.3111 3.9865 3.9865 5.2055 5.2055 5.3278 5.3278 5.7378 5.7378 6.4457 6.4457 k = 0.5205 0.2596 0.0919 ( 15966 PWs) bands (ev): -10.4629 -10.4629 -9.3461 -9.3461 -9.1358 -9.1358 -9.1023 -9.1023 -8.9804 -8.9804 -8.9732 -8.9732 -7.8370 -7.8370 -6.3459 -6.3459 -1.4888 -1.4888 -1.1338 -1.1338 -1.0713 -1.0713 -0.7303 -0.7303 -0.4607 -0.4607 -0.0718 -0.0718 0.5913 0.5913 0.7649 0.7649 0.9956 0.9956 1.0072 1.0072 1.2100 1.2100 1.2605 1.2605 1.4215 1.4215 1.6378 1.6378 1.9394 1.9394 2.0997 2.0997 2.1603 2.1603 2.3005 2.3005 3.9659 3.9659 5.2243 5.2243 5.3058 5.3058 5.7275 5.7275 6.4537 6.4537 k = 0.5137 0.2561 0.1172 ( 15969 PWs) bands (ev): -10.4671 -10.4671 -9.3482 -9.3482 -9.1237 -9.1237 -9.0965 -9.0965 -8.9811 -8.9811 -8.9735 -8.9735 -7.8514 -7.8514 -6.3420 -6.3420 -1.4903 -1.4903 -1.1347 -1.1347 -1.0642 -1.0642 -0.7357 -0.7357 -0.4712 -0.4712 -0.0769 -0.0769 0.5910 0.5910 0.7672 0.7672 1.0036 1.0036 1.0299 1.0299 1.2003 1.2003 1.2478 1.2478 1.4203 1.4203 1.6384 1.6384 1.9368 1.9368 2.1147 2.1147 2.1758 2.1758 2.2904 2.2904 3.9504 3.9504 5.2398 5.2398 5.2883 5.2883 5.7198 5.7198 6.4594 6.4594 k = 0.5068 0.2527 0.1426 ( 15967 PWs) bands (ev): -10.4696 -10.4696 -9.3495 -9.3495 -9.1175 -9.1175 -9.0917 -9.0917 -8.9817 -8.9817 -8.9738 -8.9738 -7.8602 -7.8602 -6.3397 -6.3397 -1.4912 -1.4912 -1.1354 -1.1354 -1.0592 -1.0592 -0.7395 -0.7395 -0.4776 -0.4776 -0.0801 -0.0801 0.5907 0.5907 0.7686 0.7686 1.0084 1.0084 1.0477 1.0477 1.1914 1.1914 1.2390 1.2390 1.4206 1.4206 1.6383 1.6383 1.9352 1.9352 2.1256 2.1256 2.1856 2.1856 2.2827 2.2827 3.9406 3.9406 5.2524 5.2524 5.2746 5.2746 5.7150 5.7150 6.4628 6.4628 k = 0.5000 0.2493 0.1680 ( 15938 PWs) bands (ev): -10.4704 -10.4704 -9.3499 -9.3499 -9.1156 -9.1156 -9.0898 -9.0898 -8.9819 -8.9819 -8.9739 -8.9739 -7.8631 -7.8631 -6.3389 -6.3389 -1.4915 -1.4915 -1.1356 -1.1356 -1.0575 -1.0575 -0.7408 -0.7408 -0.4798 -0.4798 -0.0811 -0.0811 0.5905 0.5905 0.7690 0.7690 1.0101 1.0101 1.0546 1.0546 1.1875 1.1875 1.2359 1.2359 1.4208 1.4208 1.6382 1.6382 1.9346 1.9346 2.1297 2.1297 2.1889 2.1889 2.2798 2.2798 3.9373 3.9373 5.2628 5.2628 5.2639 5.2639 5.7134 5.7134 6.4639 6.4639 k = 0.5000-0.3767-0.2537 ( 15938 PWs) bands (ev): -10.1667 -10.1667 -9.7967 -9.7967 -9.1753 -9.1753 -9.1195 -9.1195 -9.0342 -9.0342 -9.0219 -9.0219 -7.1840 -7.1840 -6.7047 -6.7047 -1.5778 -1.5778 -1.0554 -1.0554 -0.8555 -0.8555 -0.8287 -0.8287 -0.4322 -0.4322 0.1073 0.1073 0.4481 0.4481 0.6485 0.6485 1.0513 1.0513 1.1002 1.1002 1.2284 1.2284 1.3038 1.3038 1.6193 1.6193 1.6615 1.6615 1.8590 1.8590 1.9452 1.9452 2.1085 2.1085 2.2580 2.2580 4.3898 4.3898 4.6619 4.6619 5.7855 5.7855 5.8370 5.8370 6.0635 6.0635 k = 0.5171-0.3611-0.2432 ( 15939 PWs) bands (ev): -10.1667 -10.1667 -9.7964 -9.7964 -9.1755 -9.1755 -9.1203 -9.1203 -9.0341 -9.0341 -9.0216 -9.0216 -7.1842 -7.1842 -6.7042 -6.7042 -1.5772 -1.5772 -1.0553 -1.0553 -0.8563 -0.8563 -0.8281 -0.8281 -0.4319 -0.4319 0.1073 0.1073 0.4475 0.4475 0.6493 0.6493 1.0480 1.0480 1.1001 1.1001 1.2291 1.2291 1.3045 1.3045 1.6141 1.6141 1.6667 1.6667 1.8591 1.8591 1.9446 1.9446 2.1079 2.1079 2.2577 2.2577 4.3900 4.3900 4.6621 4.6621 5.7863 5.7863 5.8393 5.8393 6.0627 6.0627 k = 0.5341-0.3455-0.2327 ( 15933 PWs) bands (ev): -10.1667 -10.1667 -9.7954 -9.7954 -9.1761 -9.1761 -9.1226 -9.1226 -9.0336 -9.0336 -9.0204 -9.0204 -7.1850 -7.1850 -6.7027 -6.7027 -1.5754 -1.5754 -1.0550 -1.0550 -0.8583 -0.8583 -0.8266 -0.8266 -0.4307 -0.4307 0.1071 0.1071 0.4461 0.4461 0.6519 0.6519 1.0391 1.0391 1.0992 1.0992 1.2310 1.2310 1.3067 1.3067 1.6029 1.6029 1.6776 1.6776 1.8597 1.8597 1.9429 1.9429 2.1065 2.1065 2.2568 2.2568 4.3908 4.3908 4.6629 4.6629 5.7888 5.7888 5.8460 5.8460 6.0605 6.0605 k = 0.5512-0.3299-0.2222 ( 15934 PWs) bands (ev): -10.1668 -10.1668 -9.7938 -9.7938 -9.1770 -9.1770 -9.1263 -9.1263 -9.0328 -9.0328 -9.0188 -9.0188 -7.1862 -7.1862 -6.7002 -6.7002 -1.5724 -1.5724 -1.0547 -1.0547 -0.8609 -0.8609 -0.8246 -0.8246 -0.4289 -0.4289 0.1066 0.1066 0.4438 0.4438 0.6558 0.6558 1.0262 1.0262 1.0966 1.0966 1.2335 1.2335 1.3105 1.3105 1.5901 1.5901 1.6895 1.6895 1.8608 1.8608 1.9400 1.9400 2.1043 2.1043 2.2554 2.2554 4.3920 4.3920 4.6641 4.6641 5.7929 5.7929 5.8566 5.8566 6.0573 6.0573 k = 0.5683-0.3143-0.2118 ( 15927 PWs) bands (ev): -10.1670 -10.1670 -9.7916 -9.7916 -9.1784 -9.1784 -9.1311 -9.1311 -9.0317 -9.0317 -9.0167 -9.0167 -7.1879 -7.1879 -6.6969 -6.6969 -1.5683 -1.5683 -1.0546 -1.0546 -0.8636 -0.8636 -0.8226 -0.8226 -0.4262 -0.4262 0.1058 0.1058 0.4410 0.4410 0.6607 0.6607 1.0108 1.0108 1.0921 1.0921 1.2356 1.2356 1.3159 1.3159 1.5773 1.5773 1.7002 1.7002 1.8629 1.8629 1.9358 1.9358 2.1019 2.1019 2.2536 2.2536 4.3934 4.3934 4.6656 4.6656 5.7987 5.7987 5.8707 5.8707 6.0535 6.0535 k = 0.5853-0.2987-0.2013 ( 15935 PWs) bands (ev): -10.1672 -10.1672 -9.7887 -9.7887 -9.1801 -9.1801 -9.1367 -9.1367 -9.0304 -9.0304 -9.0145 -9.0145 -7.1900 -7.1900 -6.6927 -6.6927 -1.5632 -1.5632 -1.0549 -1.0549 -0.8658 -0.8658 -0.8208 -0.8208 -0.4226 -0.4226 0.1045 0.1045 0.4378 0.4378 0.6662 0.6662 0.9941 0.9941 1.0859 1.0859 1.2365 1.2365 1.3228 1.3228 1.5653 1.5653 1.7087 1.7087 1.8661 1.8661 1.9307 1.9307 2.0995 2.0995 2.2516 2.2516 4.3948 4.3948 4.6672 4.6672 5.8057 5.8057 5.8877 5.8877 6.0500 6.0500 k = 0.6024-0.2832-0.1908 ( 15928 PWs) bands (ev): -10.1676 -10.1676 -9.7852 -9.7852 -9.1821 -9.1821 -9.1429 -9.1429 -9.0288 -9.0288 -9.0123 -9.0123 -7.1926 -7.1926 -6.6877 -6.6877 -1.5570 -1.5570 -1.0558 -1.0558 -0.8673 -0.8673 -0.8193 -0.8193 -0.4183 -0.4183 0.1025 0.1025 0.4345 0.4345 0.6717 0.6717 0.9767 0.9767 1.0786 1.0786 1.2359 1.2359 1.3310 1.3310 1.5543 1.5543 1.7143 1.7143 1.8699 1.8699 1.9251 1.9251 2.0978 2.0978 2.2496 2.2496 4.3960 4.3960 4.6690 4.6690 5.8134 5.8134 5.9066 5.9066 6.0474 6.0474 k = 0.6195-0.2676-0.1803 ( 15933 PWs) bands (ev): -10.1682 -10.1682 -9.7810 -9.7810 -9.1844 -9.1844 -9.1493 -9.1493 -9.0272 -9.0272 -9.0102 -9.0102 -7.1956 -7.1956 -6.6821 -6.6821 -1.5499 -1.5499 -1.0576 -1.0576 -0.8680 -0.8680 -0.8178 -0.8178 -0.4132 -0.4132 0.0997 0.0997 0.4309 0.4309 0.6767 0.6767 0.9595 0.9595 1.0708 1.0708 1.2335 1.2335 1.3400 1.3400 1.5444 1.5444 1.7168 1.7168 1.8733 1.8733 1.9198 1.9198 2.0972 2.0972 2.2478 2.2478 4.3967 4.3967 4.6707 4.6707 5.8211 5.8211 5.9264 5.9264 6.0466 6.0466 k = 0.6365-0.2520-0.1698 ( 15931 PWs) bands (ev): -10.1690 -10.1690 -9.7763 -9.7763 -9.1870 -9.1870 -9.1558 -9.1558 -9.0255 -9.0255 -9.0083 -9.0083 -7.1990 -7.1990 -6.6760 -6.6760 -1.5419 -1.5419 -1.0604 -1.0604 -0.8679 -0.8679 -0.8163 -0.8163 -0.4074 -0.4074 0.0962 0.0962 0.4273 0.4273 0.6805 0.6805 0.9431 0.9431 1.0631 1.0631 1.2296 1.2296 1.3494 1.3494 1.5356 1.5356 1.7166 1.7166 1.8743 1.8743 1.9167 1.9167 2.0980 2.0980 2.2463 2.2463 4.3967 4.3967 4.6723 4.6723 5.8279 5.8279 5.9459 5.9459 6.0483 6.0483 k = 0.6536-0.2364-0.1593 ( 15931 PWs) bands (ev): -10.1701 -10.1701 -9.7709 -9.7709 -9.1900 -9.1900 -9.1620 -9.1620 -9.0239 -9.0239 -9.0065 -9.0065 -7.2028 -7.2028 -6.6694 -6.6694 -1.5332 -1.5332 -1.0642 -1.0642 -0.8672 -0.8672 -0.8143 -0.8143 -0.4011 -0.4011 0.0919 0.0919 0.4234 0.4234 0.6826 0.6826 0.9285 0.9285 1.0561 1.0561 1.2243 1.2243 1.3586 1.3586 1.5281 1.5281 1.7141 1.7141 1.8715 1.8715 1.9169 1.9169 2.1004 2.1004 2.2455 2.2455 4.3959 4.3959 4.6738 4.6738 5.8330 5.8330 5.9634 5.9634 6.0529 6.0529 k = 0.6707-0.2208-0.1488 ( 15935 PWs) bands (ev): -10.1715 -10.1715 -9.7649 -9.7649 -9.1933 -9.1933 -9.1677 -9.1677 -9.0224 -9.0224 -9.0049 -9.0049 -7.2070 -7.2070 -6.6626 -6.6626 -1.5240 -1.5240 -1.0691 -1.0691 -0.8664 -0.8664 -0.8117 -0.8117 -0.3943 -0.3943 0.0870 0.0870 0.4192 0.4192 0.6823 0.6823 0.9163 0.9163 1.0499 1.0499 1.2181 1.2181 1.3672 1.3672 1.5215 1.5215 1.7098 1.7098 1.8654 1.8654 1.9196 1.9196 2.1045 2.1045 2.2453 2.2453 4.3941 4.3941 4.6750 4.6750 5.8358 5.8358 5.9772 5.9772 6.0606 6.0606 k = 0.6877-0.2052-0.1383 ( 15937 PWs) bands (ev): -10.1733 -10.1733 -9.7584 -9.7584 -9.1969 -9.1969 -9.1728 -9.1728 -9.0212 -9.0212 -9.0034 -9.0034 -7.2115 -7.2115 -6.6555 -6.6555 -1.5143 -1.5143 -1.0750 -1.0750 -0.8658 -0.8658 -0.8082 -0.8082 -0.3873 -0.3873 0.0815 0.0815 0.4146 0.4146 0.6792 0.6792 0.9072 0.9072 1.0449 1.0449 1.2115 1.2115 1.3749 1.3749 1.5158 1.5158 1.7043 1.7043 1.8580 1.8580 1.9230 1.9230 2.1099 2.1099 2.2459 2.2459 4.3912 4.3912 4.6762 4.6762 5.8362 5.8362 5.9861 5.9861 6.0717 6.0717 k = 0.7048-0.1896-0.1278 ( 15938 PWs) bands (ev): -10.1755 -10.1755 -9.7512 -9.7512 -9.2007 -9.2007 -9.1772 -9.1772 -9.0203 -9.0203 -9.0020 -9.0020 -7.2163 -7.2163 -6.6483 -6.6483 -1.5043 -1.5043 -1.0815 -1.0815 -0.8656 -0.8656 -0.8038 -0.8038 -0.3803 -0.3803 0.0757 0.0757 0.4097 0.4097 0.6731 0.6731 0.9016 0.9016 1.0412 1.0412 1.2050 1.2050 1.3811 1.3811 1.5111 1.5111 1.6982 1.6982 1.8509 1.8509 1.9261 1.9261 2.1162 2.1162 2.2473 2.2473 4.3872 4.3872 4.6773 4.6773 5.8345 5.8345 5.9894 5.9894 6.0857 6.0857 k = 0.7219-0.1741-0.1173 ( 15949 PWs) bands (ev): -10.1783 -10.1783 -9.7435 -9.7435 -9.2047 -9.2047 -9.1808 -9.1808 -9.0198 -9.0198 -9.0006 -9.0006 -7.2215 -7.2215 -6.6412 -6.6412 -1.4943 -1.4943 -1.0886 -1.0886 -0.8660 -0.8660 -0.7986 -0.7986 -0.3736 -0.3736 0.0696 0.0696 0.4047 0.4047 0.6642 0.6642 0.8993 0.8993 1.0387 1.0387 1.1992 1.1992 1.3852 1.3852 1.5073 1.5073 1.6918 1.6918 1.8451 1.8451 1.9284 1.9284 2.1229 2.1229 2.2495 2.2495 4.3821 4.3821 4.6784 4.6784 5.8312 5.8312 5.9877 5.9877 6.1018 6.1018 k = 0.7389-0.1585-0.1068 ( 15947 PWs) bands (ev): -10.1816 -10.1816 -9.7352 -9.7352 -9.2085 -9.2085 -9.1837 -9.1837 -9.0197 -9.0197 -8.9992 -8.9992 -7.2271 -7.2271 -6.6342 -6.6342 -1.4843 -1.4843 -1.0961 -1.0961 -0.8668 -0.8668 -0.7931 -0.7931 -0.3673 -0.3673 0.0635 0.0635 0.3999 0.3999 0.6533 0.6533 0.8997 0.8997 1.0374 1.0374 1.1947 1.1947 1.3865 1.3865 1.5049 1.5049 1.6855 1.6855 1.8410 1.8410 1.9298 1.9298 2.1297 2.1297 2.2525 2.2525 4.3760 4.3760 4.6798 4.6798 5.8268 5.8268 5.9821 5.9821 6.1189 6.1189 k = 0.7560-0.1429-0.0963 ( 15944 PWs) bands (ev): -10.1854 -10.1854 -9.7265 -9.7265 -9.2121 -9.2121 -9.1860 -9.1860 -9.0201 -9.0201 -8.9977 -8.9977 -7.2330 -7.2330 -6.6274 -6.6274 -1.4746 -1.4746 -1.1037 -1.1037 -0.8680 -0.8680 -0.7875 -0.7875 -0.3618 -0.3618 0.0574 0.0574 0.3955 0.3955 0.6412 0.6412 0.9020 0.9020 1.0371 1.0371 1.1919 1.1919 1.3843 1.3843 1.5043 1.5043 1.6798 1.6798 1.8392 1.8392 1.9302 1.9302 2.1360 2.1360 2.2560 2.2560 4.3690 4.3690 4.6815 4.6815 5.8218 5.8218 5.9737 5.9737 6.1358 6.1358 k = 0.7731-0.1273-0.0858 ( 15937 PWs) bands (ev): -10.1899 -10.1899 -9.7172 -9.7172 -9.2153 -9.2153 -9.1877 -9.1877 -9.0208 -9.0208 -8.9963 -8.9963 -7.2393 -7.2393 -6.6209 -6.6209 -1.4655 -1.4655 -1.1113 -1.1113 -0.8696 -0.8696 -0.7824 -0.7824 -0.3571 -0.3571 0.0513 0.0513 0.3921 0.3921 0.6289 0.6289 0.9055 0.9055 1.0376 1.0376 1.1915 1.1915 1.3785 1.3785 1.5056 1.5056 1.6747 1.6747 1.8398 1.8398 1.9297 1.9297 2.1418 2.1418 2.2599 2.2599 4.3611 4.3611 4.6837 4.6837 5.8165 5.8165 5.9632 5.9632 6.1514 6.1514 Writing output data file BiI3.save init_run : 0.33s CPU 0.83s WALL ( 1 calls) electrons : 539.24s CPU 543.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 539.24s CPU 543.29s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 187 calls) cegterg : 506.11s CPU 509.66s WALL ( 374 calls) Called by sum_band: Called by *egterg: h_psi : 407.24s CPU 410.51s WALL ( 4928 calls) g_psi : 1.01s CPU 1.04s WALL ( 4367 calls) cdiaghg : 58.40s CPU 57.05s WALL ( 4554 calls) cegterg:over : 29.96s CPU 28.99s WALL ( 4367 calls) cegterg:upda : 18.34s CPU 19.87s WALL ( 4367 calls) cegterg:last : 10.17s CPU 10.59s WALL ( 950 calls) Called by h_psi: h_psi:vloc : 381.49s CPU 384.13s WALL ( 4928 calls) h_psi:vnl : 25.44s CPU 25.65s WALL ( 4928 calls) add_vuspsi : 10.66s CPU 11.72s WALL ( 4928 calls) General routines calbec : 14.77s CPU 13.91s WALL ( 4928 calls) fft : 0.02s CPU 0.04s WALL ( 13 calls) fftw : 365.99s CPU 366.91s WALL ( 714072 calls) davcio : 0.05s CPU 0.24s WALL ( 374 calls) Parallel routines fft_scatter : 190.71s CPU 176.09s WALL ( 714085 calls) PWSCF : 9m33.56s CPU 9m53.18s WALL This run was terminated on: 1:15:33 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=