Program PWSCF v.5.1.1 starts on 18Jun2016 at 5:35:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cu2HgI4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 129 67 18 4574 1700 250 Max 130 68 19 4578 1723 253 Sum 6219 3241 905 219643 82095 12089 bravais-lattice index = 14 lattice parameter (alat) = 14.1451 a.u. unit-cell volume = 1533.1129 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.145075 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.668810 celldm(5)= -0.668810 celldm(6)= 0.337620 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.337620 0.941282 0.000000 ) a(3) = ( -0.668810 -0.470641 0.575491 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.358681 0.868823 ) b(2) = ( 0.000000 1.062380 0.868823 ) b(3) = ( 0.000000 0.000000 1.737647 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) I 7.00 126.90450 I( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 255 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0000000 0.0000000 0.0234817), wk = 0.0039216 k( 3) = ( 0.0000000 0.0000000 0.0469634), wk = 0.0039216 k( 4) = ( 0.0000000 0.0000000 0.0704451), wk = 0.0039216 k( 5) = ( 0.0000000 0.0000000 0.0939268), wk = 0.0039216 k( 6) = ( 0.0000000 0.0000000 0.1174086), wk = 0.0039216 k( 7) = ( 0.0000000 0.0000000 0.1408903), wk = 0.0039216 k( 8) = ( 0.0000000 0.0000000 0.1643720), wk = 0.0039216 k( 9) = ( 0.0000000 0.0000000 0.1878537), wk = 0.0039216 k( 10) = ( 0.0000000 0.0000000 0.2113354), wk = 0.0039216 k( 11) = ( 0.0000000 0.0000000 0.2348171), wk = 0.0039216 k( 12) = ( 0.0000000 0.0000000 0.2582989), wk = 0.0039216 k( 13) = ( 0.0000000 0.0000000 0.2817806), wk = 0.0039216 k( 14) = ( 0.0000000 0.0000000 0.3052623), wk = 0.0039216 k( 15) = ( 0.0000000 0.0000000 0.3287440), wk = 0.0039216 k( 16) = ( 0.0000000 0.0000000 0.3522257), wk = 0.0039216 k( 17) = ( 0.0000000 0.0000000 0.3757074), wk = 0.0039216 k( 18) = ( 0.0000000 0.0000000 0.3991891), wk = 0.0039216 k( 19) = ( 0.0000000 0.0000000 0.4226708), wk = 0.0039216 k( 20) = ( 0.0000000 0.0000000 0.4461526), wk = 0.0039216 k( 21) = ( 0.0000000 0.0000000 0.4696343), wk = 0.0039216 k( 22) = ( 0.0000000 0.0000000 0.4931160), wk = 0.0039216 k( 23) = ( 0.0000000 0.0000000 0.5165977), wk = 0.0039216 k( 24) = ( 0.0000000 0.0000000 0.5400794), wk = 0.0039216 k( 25) = ( 0.0000000 0.0000000 0.5635611), wk = 0.0039216 k( 26) = ( 0.0000000 0.0000000 0.5870429), wk = 0.0039216 k( 27) = ( 0.0000000 0.0000000 0.6105246), wk = 0.0039216 k( 28) = ( 0.0000000 0.0000000 0.6340063), wk = 0.0039216 k( 29) = ( 0.0000000 0.0000000 0.6574880), wk = 0.0039216 k( 30) = ( 0.0000000 0.0000000 0.6809697), wk = 0.0039216 k( 31) = ( 0.0000000 0.0000000 0.7044514), wk = 0.0039216 k( 32) = ( 0.0000000 0.0000000 0.7279331), wk = 0.0039216 k( 33) = ( 0.0000000 0.0000000 0.7514148), wk = 0.0039216 k( 34) = ( 0.0000000 0.0000000 0.7748966), wk = 0.0039216 k( 35) = ( 0.0000000 0.0000000 0.7983783), wk = 0.0039216 k( 36) = ( 0.0000000 0.0000000 0.8218600), wk = 0.0039216 k( 37) = ( 0.0000000 0.0000000 0.8453417), wk = 0.0039216 k( 38) = ( 0.0000000 0.0000000 0.8688234), wk = 0.0039216 k( 39) = ( 0.0000000 0.0000000 0.8688234), wk = 0.0039216 k( 40) = ( -0.0123798 0.0175925 0.8688234), wk = 0.0039216 k( 41) = ( -0.0247596 0.0351850 0.8688234), wk = 0.0039216 k( 42) = ( -0.0371394 0.0527774 0.8688234), wk = 0.0039216 k( 43) = ( -0.0495193 0.0703699 0.8688234), wk = 0.0039216 k( 44) = ( -0.0618991 0.0879624 0.8688234), wk = 0.0039216 k( 45) = ( -0.0742789 0.1055549 0.8688234), wk = 0.0039216 k( 46) = ( -0.0866587 0.1231474 0.8688234), wk = 0.0039216 k( 47) = ( -0.0990385 0.1407398 0.8688234), wk = 0.0039216 k( 48) = ( -0.1114183 0.1583323 0.8688234), wk = 0.0039216 k( 49) = ( -0.1237981 0.1759248 0.8688234), wk = 0.0039216 k( 50) = ( -0.1237981 0.1759248 0.8688234), wk = 0.0039216 k( 51) = ( -0.1332032 0.1892899 0.8524808), wk = 0.0039216 k( 52) = ( -0.1426082 0.2026551 0.8361381), wk = 0.0039216 k( 53) = ( -0.1520133 0.2160202 0.8197955), wk = 0.0039216 k( 54) = ( -0.1614183 0.2293854 0.8034528), wk = 0.0039216 k( 55) = ( -0.1708234 0.2427506 0.7871102), wk = 0.0039216 k( 56) = ( -0.1802284 0.2561157 0.7707675), wk = 0.0039216 k( 57) = ( -0.1896335 0.2694809 0.7544249), wk = 0.0039216 k( 58) = ( -0.1990385 0.2828460 0.7380822), wk = 0.0039216 k( 59) = ( -0.2084436 0.2962112 0.7217396), wk = 0.0039216 k( 60) = ( -0.2178486 0.3095763 0.7053969), wk = 0.0039216 k( 61) = ( -0.2272537 0.3229415 0.6890543), wk = 0.0039216 k( 62) = ( -0.2366587 0.3363066 0.6727116), wk = 0.0039216 k( 63) = ( -0.2460637 0.3496718 0.6563690), wk = 0.0039216 k( 64) = ( -0.2554688 0.3630369 0.6400263), wk = 0.0039216 k( 65) = ( -0.2648738 0.3764021 0.6236837), wk = 0.0039216 k( 66) = ( -0.2742789 0.3897672 0.6073410), wk = 0.0039216 k( 67) = ( -0.2836839 0.4031324 0.5909984), wk = 0.0039216 k( 68) = ( -0.2930890 0.4164975 0.5746557), wk = 0.0039216 k( 69) = ( -0.3024940 0.4298627 0.5583131), wk = 0.0039216 k( 70) = ( -0.3118991 0.4432278 0.5419704), wk = 0.0039216 k( 71) = ( -0.3118991 0.4432278 0.5419704), wk = 0.0039216 k( 72) = ( -0.3024476 0.4297967 0.5255471), wk = 0.0039216 k( 73) = ( -0.2929961 0.4163655 0.5091237), wk = 0.0039216 k( 74) = ( -0.2835446 0.4029344 0.4927004), wk = 0.0039216 k( 75) = ( -0.2740931 0.3895033 0.4762770), wk = 0.0039216 k( 76) = ( -0.2646416 0.3760721 0.4598537), wk = 0.0039216 k( 77) = ( -0.2551902 0.3626410 0.4434304), wk = 0.0039216 k( 78) = ( -0.2457387 0.3492098 0.4270070), wk = 0.0039216 k( 79) = ( -0.2362872 0.3357787 0.4105837), wk = 0.0039216 k( 80) = ( -0.2268357 0.3223475 0.3941603), wk = 0.0039216 k( 81) = ( -0.2173842 0.3089164 0.3777370), wk = 0.0039216 k( 82) = ( -0.2079327 0.2954852 0.3613136), wk = 0.0039216 k( 83) = ( -0.1984812 0.2820541 0.3448903), wk = 0.0039216 k( 84) = ( -0.1890297 0.2686229 0.3284669), wk = 0.0039216 k( 85) = ( -0.1795782 0.2551918 0.3120436), wk = 0.0039216 k( 86) = ( -0.1701268 0.2417606 0.2956202), wk = 0.0039216 k( 87) = ( -0.1606753 0.2283295 0.2791969), wk = 0.0039216 k( 88) = ( -0.1512238 0.2148983 0.2627735), wk = 0.0039216 k( 89) = ( -0.1417723 0.2014672 0.2463502), wk = 0.0039216 k( 90) = ( -0.1323208 0.1880361 0.2299269), wk = 0.0039216 k( 91) = ( -0.1228693 0.1746049 0.2135035), wk = 0.0039216 k( 92) = ( -0.1134178 0.1611738 0.1970802), wk = 0.0039216 k( 93) = ( -0.1039664 0.1477426 0.1806568), wk = 0.0039216 k( 94) = ( -0.0945149 0.1343115 0.1642335), wk = 0.0039216 k( 95) = ( -0.0850634 0.1208803 0.1478101), wk = 0.0039216 k( 96) = ( -0.0756119 0.1074492 0.1313868), wk = 0.0039216 k( 97) = ( -0.0661604 0.0940180 0.1149634), wk = 0.0039216 k( 98) = ( -0.0567089 0.0805869 0.0985401), wk = 0.0039216 k( 99) = ( -0.0472574 0.0671557 0.0821167), wk = 0.0039216 k( 100) = ( -0.0378059 0.0537246 0.0656934), wk = 0.0039216 k( 101) = ( -0.0283545 0.0402934 0.0492700), wk = 0.0039216 k( 102) = ( -0.0189030 0.0268623 0.0328467), wk = 0.0039216 k( 103) = ( -0.0094515 0.0134312 0.0164234), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 106) = ( 0.0192308 0.0135327 0.0000000), wk = 0.0039216 k( 107) = ( 0.0384615 0.0270654 0.0000000), wk = 0.0039216 k( 108) = ( 0.0576923 0.0405980 0.0000000), wk = 0.0039216 k( 109) = ( 0.0769231 0.0541307 0.0000000), wk = 0.0039216 k( 110) = ( 0.0961538 0.0676634 0.0000000), wk = 0.0039216 k( 111) = ( 0.1153846 0.0811961 0.0000000), wk = 0.0039216 k( 112) = ( 0.1346154 0.0947287 0.0000000), wk = 0.0039216 k( 113) = ( 0.1538461 0.1082614 0.0000000), wk = 0.0039216 k( 114) = ( 0.1730769 0.1217941 0.0000000), wk = 0.0039216 k( 115) = ( 0.1923077 0.1353268 0.0000000), wk = 0.0039216 k( 116) = ( 0.2115385 0.1488594 0.0000000), wk = 0.0039216 k( 117) = ( 0.2307692 0.1623921 0.0000000), wk = 0.0039216 k( 118) = ( 0.2500000 0.1759248 0.0000000), wk = 0.0039216 k( 119) = ( 0.2692308 0.1894575 0.0000000), wk = 0.0039216 k( 120) = ( 0.2884615 0.2029901 0.0000000), wk = 0.0039216 k( 121) = ( 0.3076923 0.2165228 0.0000000), wk = 0.0039216 k( 122) = ( 0.3269231 0.2300555 0.0000000), wk = 0.0039216 k( 123) = ( 0.3461538 0.2435882 0.0000000), wk = 0.0039216 k( 124) = ( 0.3653846 0.2571209 0.0000000), wk = 0.0039216 k( 125) = ( 0.3846154 0.2706535 0.0000000), wk = 0.0039216 k( 126) = ( 0.4038462 0.2841862 0.0000000), wk = 0.0039216 k( 127) = ( 0.4230769 0.2977189 0.0000000), wk = 0.0039216 k( 128) = ( 0.4423077 0.3112516 0.0000000), wk = 0.0039216 k( 129) = ( 0.4615385 0.3247842 0.0000000), wk = 0.0039216 k( 130) = ( 0.4807692 0.3383169 0.0000000), wk = 0.0039216 k( 131) = ( 0.5000000 0.3518496 0.0000000), wk = 0.0039216 k( 132) = ( 0.5000000 0.3518496 0.0000000), wk = 0.0039216 k( 133) = ( 0.4905949 0.3652147 0.0163427), wk = 0.0039216 k( 134) = ( 0.4811899 0.3785799 0.0326853), wk = 0.0039216 k( 135) = ( 0.4717849 0.3919450 0.0490279), wk = 0.0039216 k( 136) = ( 0.4623798 0.4053102 0.0653706), wk = 0.0039216 k( 137) = ( 0.4529748 0.4186753 0.0817132), wk = 0.0039216 k( 138) = ( 0.4435697 0.4320405 0.0980559), wk = 0.0039216 k( 139) = ( 0.4341647 0.4454057 0.1143986), wk = 0.0039216 k( 140) = ( 0.4247596 0.4587708 0.1307412), wk = 0.0039216 k( 141) = ( 0.4153546 0.4721360 0.1470838), wk = 0.0039216 k( 142) = ( 0.4059495 0.4855011 0.1634265), wk = 0.0039216 k( 143) = ( 0.3965445 0.4988663 0.1797691), wk = 0.0039216 k( 144) = ( 0.3871394 0.5122314 0.1961118), wk = 0.0039216 k( 145) = ( 0.3777344 0.5255966 0.2124545), wk = 0.0039216 k( 146) = ( 0.3683293 0.5389617 0.2287971), wk = 0.0039216 k( 147) = ( 0.3589243 0.5523269 0.2451397), wk = 0.0039216 k( 148) = ( 0.3495193 0.5656920 0.2614824), wk = 0.0039216 k( 149) = ( 0.3401142 0.5790572 0.2778250), wk = 0.0039216 k( 150) = ( 0.3307092 0.5924223 0.2941677), wk = 0.0039216 k( 151) = ( 0.3213041 0.6057875 0.3105103), wk = 0.0039216 k( 152) = ( 0.3118991 0.6191526 0.3268530), wk = 0.0039216 k( 153) = ( 0.3118991 0.6191526 0.3268530), wk = 0.0039216 k( 154) = ( 0.2911058 0.6132885 0.3340236), wk = 0.0039216 k( 155) = ( 0.2703125 0.6074243 0.3411942), wk = 0.0039216 k( 156) = ( 0.2495192 0.6015602 0.3483647), wk = 0.0039216 k( 157) = ( 0.2287260 0.5956960 0.3555353), wk = 0.0039216 k( 158) = ( 0.2079327 0.5898318 0.3627059), wk = 0.0039216 k( 159) = ( 0.1871394 0.5839677 0.3698765), wk = 0.0039216 k( 160) = ( 0.1663462 0.5781035 0.3770471), wk = 0.0039216 k( 161) = ( 0.1455529 0.5722394 0.3842176), wk = 0.0039216 k( 162) = ( 0.1247596 0.5663752 0.3913882), wk = 0.0039216 k( 163) = ( 0.1039664 0.5605110 0.3985588), wk = 0.0039216 k( 164) = ( 0.0831731 0.5546469 0.4057294), wk = 0.0039216 k( 165) = ( 0.0623798 0.5487827 0.4129000), wk = 0.0039216 k( 166) = ( 0.0415865 0.5429186 0.4200705), wk = 0.0039216 k( 167) = ( 0.0207933 0.5370544 0.4272411), wk = 0.0039216 k( 168) = ( 0.0000000 0.5311902 0.4344117), wk = 0.0039216 k( 169) = ( 0.0000000 0.5311902 0.4344117), wk = 0.0039216 k( 170) = ( 0.0096154 0.5175262 0.4511198), wk = 0.0039216 k( 171) = ( 0.0192308 0.5038621 0.4678280), wk = 0.0039216 k( 172) = ( 0.0288462 0.4901981 0.4845361), wk = 0.0039216 k( 173) = ( 0.0384615 0.4765340 0.5012443), wk = 0.0039216 k( 174) = ( 0.0480769 0.4628700 0.5179524), wk = 0.0039216 k( 175) = ( 0.0576923 0.4492059 0.5346606), wk = 0.0039216 k( 176) = ( 0.0673077 0.4355419 0.5513687), wk = 0.0039216 k( 177) = ( 0.0769231 0.4218778 0.5680769), wk = 0.0039216 k( 178) = ( 0.0865385 0.4082137 0.5847850), wk = 0.0039216 k( 179) = ( 0.0961538 0.3945497 0.6014931), wk = 0.0039216 k( 180) = ( 0.1057692 0.3808856 0.6182013), wk = 0.0039216 k( 181) = ( 0.1153846 0.3672216 0.6349094), wk = 0.0039216 k( 182) = ( 0.1250000 0.3535575 0.6516176), wk = 0.0039216 k( 183) = ( 0.1346154 0.3398935 0.6683257), wk = 0.0039216 k( 184) = ( 0.1442308 0.3262294 0.6850339), wk = 0.0039216 k( 185) = ( 0.1538461 0.3125654 0.7017420), wk = 0.0039216 k( 186) = ( 0.1634615 0.2989013 0.7184501), wk = 0.0039216 k( 187) = ( 0.1730769 0.2852372 0.7351583), wk = 0.0039216 k( 188) = ( 0.1826923 0.2715732 0.7518664), wk = 0.0039216 k( 189) = ( 0.1923077 0.2579091 0.7685746), wk = 0.0039216 k( 190) = ( 0.2019231 0.2442451 0.7852827), wk = 0.0039216 k( 191) = ( 0.2115385 0.2305810 0.8019908), wk = 0.0039216 k( 192) = ( 0.2211539 0.2169170 0.8186990), wk = 0.0039216 k( 193) = ( 0.2307692 0.2032529 0.8354071), wk = 0.0039216 k( 194) = ( 0.2403846 0.1895888 0.8521153), wk = 0.0039216 k( 195) = ( 0.2500000 0.1759248 0.8688234), wk = 0.0039216 k( 196) = ( 0.2500000 0.1759248 0.8688234), wk = 0.0039216 k( 197) = ( 0.2656250 0.1869201 0.8553786), wk = 0.0039216 k( 198) = ( 0.2812500 0.1979154 0.8419337), wk = 0.0039216 k( 199) = ( 0.2968750 0.2089107 0.8284889), wk = 0.0039216 k( 200) = ( 0.3125000 0.2199060 0.8150441), wk = 0.0039216 k( 201) = ( 0.3281250 0.2309013 0.8015992), wk = 0.0039216 k( 202) = ( 0.3437500 0.2418966 0.7881544), wk = 0.0039216 k( 203) = ( 0.3593750 0.2528919 0.7747096), wk = 0.0039216 k( 204) = ( 0.3750000 0.2638872 0.7612647), wk = 0.0039216 k( 205) = ( 0.3906250 0.2748825 0.7478199), wk = 0.0039216 k( 206) = ( 0.4062500 0.2858778 0.7343750), wk = 0.0039216 k( 207) = ( 0.4218750 0.2968731 0.7209302), wk = 0.0039216 k( 208) = ( 0.4375000 0.3078684 0.7074853), wk = 0.0039216 k( 209) = ( 0.4531250 0.3188637 0.6940405), wk = 0.0039216 k( 210) = ( 0.4687500 0.3298590 0.6805957), wk = 0.0039216 k( 211) = ( 0.4843750 0.3408543 0.6671508), wk = 0.0039216 k( 212) = ( 0.5000000 0.3518496 0.6537060), wk = 0.0039216 k( 213) = ( 0.5000000 0.3518496 0.6537060), wk = 0.0039216 k( 214) = ( 0.5000000 0.3518496 0.6303594), wk = 0.0039216 k( 215) = ( 0.5000000 0.3518496 0.6070127), wk = 0.0039216 k( 216) = ( 0.5000000 0.3518496 0.5836661), wk = 0.0039216 k( 217) = ( 0.5000000 0.3518496 0.5603194), wk = 0.0039216 k( 218) = ( 0.5000000 0.3518496 0.5369728), wk = 0.0039216 k( 219) = ( 0.5000000 0.3518496 0.5136261), wk = 0.0039216 k( 220) = ( 0.5000000 0.3518496 0.4902795), wk = 0.0039216 k( 221) = ( 0.5000000 0.3518496 0.4669328), wk = 0.0039216 k( 222) = ( 0.5000000 0.3518496 0.4435862), wk = 0.0039216 k( 223) = ( 0.5000000 0.3518496 0.4202396), wk = 0.0039216 k( 224) = ( 0.5000000 0.3518496 0.3968929), wk = 0.0039216 k( 225) = ( 0.5000000 0.3518496 0.3735463), wk = 0.0039216 k( 226) = ( 0.5000000 0.3518496 0.3501996), wk = 0.0039216 k( 227) = ( 0.5000000 0.3518496 0.3268530), wk = 0.0039216 k( 228) = ( 0.5000000 0.3518496 0.3035063), wk = 0.0039216 k( 229) = ( 0.5000000 0.3518496 0.2801597), wk = 0.0039216 k( 230) = ( 0.5000000 0.3518496 0.2568131), wk = 0.0039216 k( 231) = ( 0.5000000 0.3518496 0.2334664), wk = 0.0039216 k( 232) = ( 0.5000000 0.3518496 0.2101198), wk = 0.0039216 k( 233) = ( 0.5000000 0.3518496 0.1867731), wk = 0.0039216 k( 234) = ( 0.5000000 0.3518496 0.1634265), wk = 0.0039216 k( 235) = ( 0.5000000 0.3518496 0.1400799), wk = 0.0039216 k( 236) = ( 0.5000000 0.3518496 0.1167332), wk = 0.0039216 k( 237) = ( 0.5000000 0.3518496 0.0933866), wk = 0.0039216 k( 238) = ( 0.5000000 0.3518496 0.0700399), wk = 0.0039216 k( 239) = ( 0.5000000 0.3518496 0.0466933), wk = 0.0039216 k( 240) = ( 0.5000000 0.3518496 0.0233466), wk = 0.0039216 k( 241) = ( 0.5000000 0.3518496 0.0000000), wk = 0.0039216 k( 242) = ( 0.0000000 0.0000000 0.8688234), wk = 0.0039216 k( 243) = ( 0.0192308 0.0135327 0.8688234), wk = 0.0039216 k( 244) = ( 0.0384615 0.0270654 0.8688234), wk = 0.0039216 k( 245) = ( 0.0576923 0.0405980 0.8688234), wk = 0.0039216 k( 246) = ( 0.0769231 0.0541307 0.8688234), wk = 0.0039216 k( 247) = ( 0.0961538 0.0676634 0.8688234), wk = 0.0039216 k( 248) = ( 0.1153846 0.0811961 0.8688234), wk = 0.0039216 k( 249) = ( 0.1346154 0.0947287 0.8688234), wk = 0.0039216 k( 250) = ( 0.1538461 0.1082614 0.8688234), wk = 0.0039216 k( 251) = ( 0.1730769 0.1217941 0.8688234), wk = 0.0039216 k( 252) = ( 0.1923077 0.1353268 0.8688234), wk = 0.0039216 k( 253) = ( 0.2115385 0.1488594 0.8688234), wk = 0.0039216 k( 254) = ( 0.2307692 0.1623921 0.8688234), wk = 0.0039216 k( 255) = ( 0.2500000 0.1759248 0.8688234), wk = 0.0039216 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0039216 k( 3) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0039216 k( 4) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0039216 k( 5) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0039216 k( 6) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0039216 k( 7) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0039216 k( 8) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0039216 k( 9) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0039216 k( 10) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0039216 k( 11) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0039216 k( 12) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0039216 k( 13) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0039216 k( 14) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0039216 k( 15) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0039216 k( 16) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0039216 k( 17) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0039216 k( 18) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0039216 k( 19) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0039216 k( 20) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0039216 k( 21) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0039216 k( 22) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0039216 k( 23) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0039216 k( 24) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0039216 k( 25) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0039216 k( 26) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0039216 k( 27) = ( 0.0000000 0.0000000 0.3513513), wk = 0.0039216 k( 28) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0039216 k( 29) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0039216 k( 30) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0039216 k( 31) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0039216 k( 32) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0039216 k( 33) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0039216 k( 34) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0039216 k( 35) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0039216 k( 36) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0039216 k( 37) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0039216 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 40) = ( -0.0123798 0.0123798 0.5000000), wk = 0.0039216 k( 41) = ( -0.0247596 0.0247596 0.5000000), wk = 0.0039216 k( 42) = ( -0.0371394 0.0371394 0.5000000), wk = 0.0039216 k( 43) = ( -0.0495193 0.0495192 0.5000000), wk = 0.0039216 k( 44) = ( -0.0618991 0.0618991 0.5000000), wk = 0.0039216 k( 45) = ( -0.0742789 0.0742789 0.5000000), wk = 0.0039216 k( 46) = ( -0.0866587 0.0866587 0.5000000), wk = 0.0039216 k( 47) = ( -0.0990385 0.0990385 0.5000000), wk = 0.0039216 k( 48) = ( -0.1114183 0.1114183 0.5000000), wk = 0.0039216 k( 49) = ( -0.1237981 0.1237981 0.5000000), wk = 0.0039216 k( 50) = ( -0.1237981 0.1237981 0.5000000), wk = 0.0039216 k( 51) = ( -0.1332032 0.1332032 0.4905949), wk = 0.0039216 k( 52) = ( -0.1426082 0.1426082 0.4811899), wk = 0.0039216 k( 53) = ( -0.1520133 0.1520133 0.4717849), wk = 0.0039216 k( 54) = ( -0.1614183 0.1614183 0.4623798), wk = 0.0039216 k( 55) = ( -0.1708234 0.1708234 0.4529748), wk = 0.0039216 k( 56) = ( -0.1802284 0.1802284 0.4435697), wk = 0.0039216 k( 57) = ( -0.1896335 0.1896335 0.4341647), wk = 0.0039216 k( 58) = ( -0.1990385 0.1990385 0.4247596), wk = 0.0039216 k( 59) = ( -0.2084436 0.2084436 0.4153546), wk = 0.0039216 k( 60) = ( -0.2178486 0.2178486 0.4059495), wk = 0.0039216 k( 61) = ( -0.2272537 0.2272536 0.3965445), wk = 0.0039216 k( 62) = ( -0.2366587 0.2366587 0.3871394), wk = 0.0039216 k( 63) = ( -0.2460637 0.2460637 0.3777344), wk = 0.0039216 k( 64) = ( -0.2554688 0.2554688 0.3683293), wk = 0.0039216 k( 65) = ( -0.2648738 0.2648738 0.3589243), wk = 0.0039216 k( 66) = ( -0.2742789 0.2742789 0.3495193), wk = 0.0039216 k( 67) = ( -0.2836839 0.2836839 0.3401142), wk = 0.0039216 k( 68) = ( -0.2930890 0.2930890 0.3307092), wk = 0.0039216 k( 69) = ( -0.3024940 0.3024940 0.3213041), wk = 0.0039216 k( 70) = ( -0.3118991 0.3118991 0.3118991), wk = 0.0039216 k( 71) = ( -0.3118991 0.3118991 0.3118991), wk = 0.0039216 k( 72) = ( -0.3024476 0.3024476 0.3024476), wk = 0.0039216 k( 73) = ( -0.2929961 0.2929961 0.2929961), wk = 0.0039216 k( 74) = ( -0.2835446 0.2835446 0.2835446), wk = 0.0039216 k( 75) = ( -0.2740931 0.2740931 0.2740931), wk = 0.0039216 k( 76) = ( -0.2646416 0.2646416 0.2646416), wk = 0.0039216 k( 77) = ( -0.2551902 0.2551901 0.2551902), wk = 0.0039216 k( 78) = ( -0.2457387 0.2457387 0.2457387), wk = 0.0039216 k( 79) = ( -0.2362872 0.2362872 0.2362872), wk = 0.0039216 k( 80) = ( -0.2268357 0.2268357 0.2268357), wk = 0.0039216 k( 81) = ( -0.2173842 0.2173842 0.2173842), wk = 0.0039216 k( 82) = ( -0.2079327 0.2079327 0.2079327), wk = 0.0039216 k( 83) = ( -0.1984812 0.1984812 0.1984812), wk = 0.0039216 k( 84) = ( -0.1890297 0.1890297 0.1890297), wk = 0.0039216 k( 85) = ( -0.1795782 0.1795782 0.1795782), wk = 0.0039216 k( 86) = ( -0.1701268 0.1701268 0.1701268), wk = 0.0039216 k( 87) = ( -0.1606753 0.1606753 0.1606753), wk = 0.0039216 k( 88) = ( -0.1512238 0.1512238 0.1512238), wk = 0.0039216 k( 89) = ( -0.1417723 0.1417723 0.1417723), wk = 0.0039216 k( 90) = ( -0.1323208 0.1323208 0.1323208), wk = 0.0039216 k( 91) = ( -0.1228693 0.1228693 0.1228693), wk = 0.0039216 k( 92) = ( -0.1134178 0.1134178 0.1134178), wk = 0.0039216 k( 93) = ( -0.1039664 0.1039664 0.1039664), wk = 0.0039216 k( 94) = ( -0.0945149 0.0945149 0.0945149), wk = 0.0039216 k( 95) = ( -0.0850634 0.0850634 0.0850634), wk = 0.0039216 k( 96) = ( -0.0756119 0.0756119 0.0756119), wk = 0.0039216 k( 97) = ( -0.0661604 0.0661604 0.0661604), wk = 0.0039216 k( 98) = ( -0.0567089 0.0567089 0.0567089), wk = 0.0039216 k( 99) = ( -0.0472574 0.0472574 0.0472574), wk = 0.0039216 k( 100) = ( -0.0378059 0.0378059 0.0378059), wk = 0.0039216 k( 101) = ( -0.0283545 0.0283545 0.0283545), wk = 0.0039216 k( 102) = ( -0.0189030 0.0189030 0.0189030), wk = 0.0039216 k( 103) = ( -0.0094515 0.0094515 0.0094515), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 106) = ( 0.0192308 0.0192308 -0.0192308), wk = 0.0039216 k( 107) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0039216 k( 108) = ( 0.0576923 0.0576923 -0.0576923), wk = 0.0039216 k( 109) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0039216 k( 110) = ( 0.0961538 0.0961538 -0.0961538), wk = 0.0039216 k( 111) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0039216 k( 112) = ( 0.1346154 0.1346154 -0.1346154), wk = 0.0039216 k( 113) = ( 0.1538461 0.1538461 -0.1538462), wk = 0.0039216 k( 114) = ( 0.1730769 0.1730769 -0.1730769), wk = 0.0039216 k( 115) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0039216 k( 116) = ( 0.2115385 0.2115385 -0.2115385), wk = 0.0039216 k( 117) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0039216 k( 118) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0039216 k( 119) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0039216 k( 120) = ( 0.2884615 0.2884615 -0.2884615), wk = 0.0039216 k( 121) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0039216 k( 122) = ( 0.3269231 0.3269231 -0.3269231), wk = 0.0039216 k( 123) = ( 0.3461538 0.3461538 -0.3461539), wk = 0.0039216 k( 124) = ( 0.3653846 0.3653846 -0.3653846), wk = 0.0039216 k( 125) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0039216 k( 126) = ( 0.4038462 0.4038462 -0.4038462), wk = 0.0039216 k( 127) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0039216 k( 128) = ( 0.4423077 0.4423077 -0.4423077), wk = 0.0039216 k( 129) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0039216 k( 130) = ( 0.4807692 0.4807692 -0.4807692), wk = 0.0039216 k( 131) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039216 k( 132) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039216 k( 133) = ( 0.4905949 0.5094051 -0.4905949), wk = 0.0039216 k( 134) = ( 0.4811899 0.5188101 -0.4811899), wk = 0.0039216 k( 135) = ( 0.4717849 0.5282151 -0.4717849), wk = 0.0039216 k( 136) = ( 0.4623798 0.5376202 -0.4623798), wk = 0.0039216 k( 137) = ( 0.4529748 0.5470252 -0.4529748), wk = 0.0039216 k( 138) = ( 0.4435697 0.5564303 -0.4435697), wk = 0.0039216 k( 139) = ( 0.4341647 0.5658353 -0.4341647), wk = 0.0039216 k( 140) = ( 0.4247596 0.5752404 -0.4247596), wk = 0.0039216 k( 141) = ( 0.4153546 0.5846454 -0.4153546), wk = 0.0039216 k( 142) = ( 0.4059495 0.5940505 -0.4059495), wk = 0.0039216 k( 143) = ( 0.3965445 0.6034555 -0.3965445), wk = 0.0039216 k( 144) = ( 0.3871394 0.6128606 -0.3871394), wk = 0.0039216 k( 145) = ( 0.3777344 0.6222656 -0.3777344), wk = 0.0039216 k( 146) = ( 0.3683293 0.6316707 -0.3683293), wk = 0.0039216 k( 147) = ( 0.3589243 0.6410757 -0.3589243), wk = 0.0039216 k( 148) = ( 0.3495193 0.6504808 -0.3495193), wk = 0.0039216 k( 149) = ( 0.3401142 0.6598858 -0.3401142), wk = 0.0039216 k( 150) = ( 0.3307092 0.6692908 -0.3307092), wk = 0.0039216 k( 151) = ( 0.3213041 0.6786959 -0.3213041), wk = 0.0039216 k( 152) = ( 0.3118991 0.6881009 -0.3118991), wk = 0.0039216 k( 153) = ( 0.3118991 0.6881009 -0.3118991), wk = 0.0039216 k( 154) = ( 0.2911058 0.6755609 -0.2911058), wk = 0.0039216 k( 155) = ( 0.2703125 0.6630208 -0.2703125), wk = 0.0039216 k( 156) = ( 0.2495192 0.6504808 -0.2495192), wk = 0.0039216 k( 157) = ( 0.2287260 0.6379407 -0.2287260), wk = 0.0039216 k( 158) = ( 0.2079327 0.6254006 -0.2079327), wk = 0.0039216 k( 159) = ( 0.1871394 0.6128606 -0.1871394), wk = 0.0039216 k( 160) = ( 0.1663462 0.6003205 -0.1663462), wk = 0.0039216 k( 161) = ( 0.1455529 0.5877804 -0.1455529), wk = 0.0039216 k( 162) = ( 0.1247596 0.5752404 -0.1247596), wk = 0.0039216 k( 163) = ( 0.1039664 0.5627003 -0.1039664), wk = 0.0039216 k( 164) = ( 0.0831731 0.5501603 -0.0831731), wk = 0.0039216 k( 165) = ( 0.0623798 0.5376202 -0.0623798), wk = 0.0039216 k( 166) = ( 0.0415865 0.5250801 -0.0415865), wk = 0.0039216 k( 167) = ( 0.0207933 0.5125401 -0.0207933), wk = 0.0039216 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 169) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 170) = ( 0.0096154 0.4903846 0.0096154), wk = 0.0039216 k( 171) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0039216 k( 172) = ( 0.0288462 0.4711538 0.0288461), wk = 0.0039216 k( 173) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0039216 k( 174) = ( 0.0480769 0.4519231 0.0480769), wk = 0.0039216 k( 175) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0039216 k( 176) = ( 0.0673077 0.4326923 0.0673077), wk = 0.0039216 k( 177) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0039216 k( 178) = ( 0.0865385 0.4134615 0.0865385), wk = 0.0039216 k( 179) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0039216 k( 180) = ( 0.1057692 0.3942308 0.1057692), wk = 0.0039216 k( 181) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0039216 k( 182) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0039216 k( 183) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0039216 k( 184) = ( 0.1442308 0.3557692 0.1442308), wk = 0.0039216 k( 185) = ( 0.1538461 0.3461538 0.1538462), wk = 0.0039216 k( 186) = ( 0.1634615 0.3365385 0.1634615), wk = 0.0039216 k( 187) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0039216 k( 188) = ( 0.1826923 0.3173077 0.1826923), wk = 0.0039216 k( 189) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0039216 k( 190) = ( 0.2019231 0.2980769 0.2019231), wk = 0.0039216 k( 191) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0039216 k( 192) = ( 0.2211539 0.2788462 0.2211538), wk = 0.0039216 k( 193) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0039216 k( 194) = ( 0.2403846 0.2596154 0.2403846), wk = 0.0039216 k( 195) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039216 k( 196) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039216 k( 197) = ( 0.2656250 0.2656250 0.2266376), wk = 0.0039216 k( 198) = ( 0.2812500 0.2812500 0.2032752), wk = 0.0039216 k( 199) = ( 0.2968750 0.2968750 0.1799128), wk = 0.0039216 k( 200) = ( 0.3125000 0.3125000 0.1565505), wk = 0.0039216 k( 201) = ( 0.3281250 0.3281250 0.1331881), wk = 0.0039216 k( 202) = ( 0.3437500 0.3437500 0.1098257), wk = 0.0039216 k( 203) = ( 0.3593750 0.3593750 0.0864633), wk = 0.0039216 k( 204) = ( 0.3750000 0.3750000 0.0631009), wk = 0.0039216 k( 205) = ( 0.3906250 0.3906250 0.0397385), wk = 0.0039216 k( 206) = ( 0.4062500 0.4062500 0.0163762), wk = 0.0039216 k( 207) = ( 0.4218750 0.4218750 -0.0069862), wk = 0.0039216 k( 208) = ( 0.4375000 0.4375000 -0.0303486), wk = 0.0039216 k( 209) = ( 0.4531250 0.4531250 -0.0537110), wk = 0.0039216 k( 210) = ( 0.4687500 0.4687500 -0.0770734), wk = 0.0039216 k( 211) = ( 0.4843750 0.4843750 -0.1004358), wk = 0.0039216 k( 212) = ( 0.5000000 0.5000000 -0.1237981), wk = 0.0039216 k( 213) = ( 0.5000000 0.5000000 -0.1237981), wk = 0.0039216 k( 214) = ( 0.5000000 0.5000000 -0.1372339), wk = 0.0039216 k( 215) = ( 0.5000000 0.5000000 -0.1506697), wk = 0.0039216 k( 216) = ( 0.5000000 0.5000000 -0.1641055), wk = 0.0039216 k( 217) = ( 0.5000000 0.5000000 -0.1775413), wk = 0.0039216 k( 218) = ( 0.5000000 0.5000000 -0.1909770), wk = 0.0039216 k( 219) = ( 0.5000000 0.5000000 -0.2044128), wk = 0.0039216 k( 220) = ( 0.5000000 0.5000000 -0.2178486), wk = 0.0039216 k( 221) = ( 0.5000000 0.5000000 -0.2312844), wk = 0.0039216 k( 222) = ( 0.5000000 0.5000000 -0.2447202), wk = 0.0039216 k( 223) = ( 0.5000000 0.5000000 -0.2581559), wk = 0.0039216 k( 224) = ( 0.5000000 0.5000000 -0.2715917), wk = 0.0039216 k( 225) = ( 0.5000000 0.5000000 -0.2850275), wk = 0.0039216 k( 226) = ( 0.5000000 0.5000000 -0.2984633), wk = 0.0039216 k( 227) = ( 0.5000000 0.5000000 -0.3118991), wk = 0.0039216 k( 228) = ( 0.5000000 0.5000000 -0.3253348), wk = 0.0039216 k( 229) = ( 0.5000000 0.5000000 -0.3387706), wk = 0.0039216 k( 230) = ( 0.5000000 0.5000000 -0.3522064), wk = 0.0039216 k( 231) = ( 0.5000000 0.5000000 -0.3656422), wk = 0.0039216 k( 232) = ( 0.5000000 0.5000000 -0.3790780), wk = 0.0039216 k( 233) = ( 0.5000000 0.5000000 -0.3925137), wk = 0.0039216 k( 234) = ( 0.5000000 0.5000000 -0.4059495), wk = 0.0039216 k( 235) = ( 0.5000000 0.5000000 -0.4193853), wk = 0.0039216 k( 236) = ( 0.5000000 0.5000000 -0.4328211), wk = 0.0039216 k( 237) = ( 0.5000000 0.5000000 -0.4462569), wk = 0.0039216 k( 238) = ( 0.5000000 0.5000000 -0.4596927), wk = 0.0039216 k( 239) = ( 0.5000000 0.5000000 -0.4731284), wk = 0.0039216 k( 240) = ( 0.5000000 0.5000000 -0.4865642), wk = 0.0039216 k( 241) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039216 k( 242) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 243) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0039216 k( 244) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0039216 k( 245) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0039216 k( 246) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0039216 k( 247) = ( 0.0961538 0.0961538 0.4038461), wk = 0.0039216 k( 248) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0039216 k( 249) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0039216 k( 250) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0039216 k( 251) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0039216 k( 252) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0039216 k( 253) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0039216 k( 254) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0039216 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039216 Dense grid: 219643 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 82095 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 432, 74) NL pseudopotentials 0.55 Mb ( 216, 166) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.03 Mb ( 4575) G-vector shells 0.02 Mb ( 2010) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.95 Mb ( 432, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.37 Mb ( 166, 2, 74) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Cu2HgI4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 62.1 secs Computing kpt #: 2 total cpu time spent up to now is 69.5 secs Computing kpt #: 3 total cpu time spent up to now is 77.0 secs Computing kpt #: 4 total cpu time spent up to now is 84.6 secs Computing kpt #: 5 total cpu time spent up to now is 92.1 secs Computing kpt #: 6 total cpu time spent up to now is 100.1 secs Computing kpt #: 7 total cpu time spent up to now is 108.1 secs Computing kpt #: 8 total cpu time spent up to now is 116.5 secs Computing kpt #: 9 total cpu time spent up to now is 125.2 secs Computing kpt #: 10 total cpu time spent up to now is 133.9 secs Computing kpt #: 11 total cpu time spent up to now is 142.5 secs Computing kpt #: 12 total cpu time spent up to now is 150.7 secs Computing kpt #: 13 total cpu time spent up to now is 159.2 secs Computing kpt #: 14 total cpu time spent up to now is 167.2 secs Computing kpt #: 15 total cpu time spent up to now is 175.6 secs Computing kpt #: 16 total cpu time spent up to now is 183.9 secs Computing kpt #: 17 total cpu time spent up to now is 192.3 secs Computing kpt #: 18 total cpu time spent up to now is 200.7 secs Computing kpt #: 19 total cpu time spent up to now is 209.1 secs Computing kpt #: 20 total cpu time spent up to now is 217.5 secs Computing kpt #: 21 total cpu time spent up to now is 225.8 secs Computing kpt #: 22 total cpu time spent up to now is 234.1 secs Computing kpt #: 23 total cpu time spent up to now is 242.2 secs Computing kpt #: 24 total cpu time spent up to now is 253.1 secs Computing kpt #: 25 total cpu time spent up to now is 263.4 secs Computing kpt #: 26 total cpu time spent up to now is 272.3 secs Computing kpt #: 27 total cpu time spent up to now is 280.8 secs Computing kpt #: 28 total cpu time spent up to now is 289.6 secs Computing kpt #: 29 total cpu time spent up to now is 298.4 secs Computing kpt #: 30 total cpu time spent up to now is 309.2 secs Computing kpt #: 31 total cpu time spent up to now is 321.3 secs Computing kpt #: 32 total cpu time spent up to now is 334.2 secs Computing kpt #: 33 total cpu time spent up to now is 346.6 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 359.3 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.9 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 384.6 secs Computing kpt #: 37 total cpu time spent up to now is 396.5 secs Computing kpt #: 38 total cpu time spent up to now is 407.3 secs Computing kpt #: 39 total cpu time spent up to now is 418.3 secs Computing kpt #: 40 total cpu time spent up to now is 430.5 secs Computing kpt #: 41 total cpu time spent up to now is 443.1 secs Computing kpt #: 42 total cpu time spent up to now is 454.2 secs Computing kpt #: 43 total cpu time spent up to now is 463.8 secs Computing kpt #: 44 total cpu time spent up to now is 472.5 secs Computing kpt #: 45 total cpu time spent up to now is 481.4 secs Computing kpt #: 46 total cpu time spent up to now is 490.0 secs Computing kpt #: 47 total cpu time spent up to now is 498.4 secs Computing kpt #: 48 total cpu time spent up to now is 506.8 secs Computing kpt #: 49 total cpu time spent up to now is 515.1 secs Computing kpt #: 50 total cpu time spent up to now is 523.3 secs Computing kpt #: 51 total cpu time spent up to now is 531.5 secs Computing kpt #: 52 total cpu time spent up to now is 539.7 secs Computing kpt #: 53 total cpu time spent up to now is 547.2 secs Computing kpt #: 54 total cpu time spent up to now is 558.1 secs Computing kpt #: 55 total cpu time spent up to now is 565.7 secs Computing kpt #: 56 total cpu time spent up to now is 574.0 secs Computing kpt #: 57 total cpu time spent up to now is 582.4 secs Computing kpt #: 58 total cpu time spent up to now is 591.0 secs Computing kpt #: 59 total cpu time spent up to now is 599.3 secs Computing kpt #: 60 total cpu time spent up to now is 607.7 secs Computing kpt #: 61 total cpu time spent up to now is 617.1 secs Computing kpt #: 62 total cpu time spent up to now is 627.6 secs Computing kpt #: 63 total cpu time spent up to now is 636.4 secs Computing kpt #: 64 total cpu time spent up to now is 645.2 secs Computing kpt #: 65 total cpu time spent up to now is 654.7 secs Computing kpt #: 66 total cpu time spent up to now is 663.9 secs Computing kpt #: 67 total cpu time spent up to now is 673.4 secs Computing kpt #: 68 total cpu time spent up to now is 682.4 secs Computing kpt #: 69 total cpu time spent up to now is 693.2 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 705.6 secs Computing kpt #: 71 total cpu time spent up to now is 715.0 secs Computing kpt #: 72 total cpu time spent up to now is 724.6 secs Computing kpt #: 73 total cpu time spent up to now is 734.8 secs Computing kpt #: 74 total cpu time spent up to now is 743.7 secs Computing kpt #: 75 total cpu time spent up to now is 752.5 secs Computing kpt #: 76 total cpu time spent up to now is 760.9 secs Computing kpt #: 77 total cpu time spent up to now is 769.6 secs Computing kpt #: 78 total cpu time spent up to now is 778.3 secs Computing kpt #: 79 total cpu time spent up to now is 787.0 secs Computing kpt #: 80 total cpu time spent up to now is 796.0 secs Computing kpt #: 81 total cpu time spent up to now is 804.7 secs Computing kpt #: 82 total cpu time spent up to now is 813.5 secs Computing kpt #: 83 total cpu time spent up to now is 822.5 secs Computing kpt #: 84 total cpu time spent up to now is 831.1 secs Computing kpt #: 85 total cpu time spent up to now is 839.8 secs Computing kpt #: 86 total cpu time spent up to now is 849.0 secs Computing kpt #: 87 total cpu time spent up to now is 860.8 secs Computing kpt #: 88 total cpu time spent up to now is 869.7 secs Computing kpt #: 89 total cpu time spent up to now is 878.4 secs Computing kpt #: 90 total cpu time spent up to now is 886.9 secs Computing kpt #: 91 total cpu time spent up to now is 895.8 secs Computing kpt #: 92 total cpu time spent up to now is 904.8 secs Computing kpt #: 93 total cpu time spent up to now is 914.2 secs Computing kpt #: 94 total cpu time spent up to now is 924.7 secs Computing kpt #: 95 total cpu time spent up to now is 936.6 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 949.2 secs Computing kpt #: 97 total cpu time spent up to now is 961.2 secs Computing kpt #: 98 total cpu time spent up to now is 969.9 secs Computing kpt #: 99 total cpu time spent up to now is 978.3 secs Computing kpt #: 100 total cpu time spent up to now is 986.4 secs Computing kpt #: 101 total cpu time spent up to now is 993.8 secs Computing kpt #: 102 total cpu time spent up to now is 1001.3 secs Computing kpt #: 103 total cpu time spent up to now is 1008.5 secs Computing kpt #: 104 total cpu time spent up to now is 1015.8 secs Computing kpt #: 105 total cpu time spent up to now is 1023.0 secs Computing kpt #: 106 total cpu time spent up to now is 1031.0 secs Computing kpt #: 107 total cpu time spent up to now is 1039.5 secs Computing kpt #: 108 total cpu time spent up to now is 1048.0 secs Computing kpt #: 109 total cpu time spent up to now is 1055.9 secs Computing kpt #: 110 total cpu time spent up to now is 1063.7 secs Computing kpt #: 111 total cpu time spent up to now is 1071.1 secs Computing kpt #: 112 total cpu time spent up to now is 1078.4 secs Computing kpt #: 113 total cpu time spent up to now is 1086.0 secs Computing kpt #: 114 total cpu time spent up to now is 1093.2 secs Computing kpt #: 115 total cpu time spent up to now is 1101.4 secs Computing kpt #: 116 total cpu time spent up to now is 1108.6 secs Computing kpt #: 117 total cpu time spent up to now is 1115.9 secs Computing kpt #: 118 total cpu time spent up to now is 1122.7 secs Computing kpt #: 119 total cpu time spent up to now is 1129.5 secs Computing kpt #: 120 total cpu time spent up to now is 1136.6 secs Computing kpt #: 121 total cpu time spent up to now is 1143.4 secs Computing kpt #: 122 total cpu time spent up to now is 1152.0 secs Computing kpt #: 123 total cpu time spent up to now is 1159.5 secs Computing kpt #: 124 total cpu time spent up to now is 1166.4 secs Computing kpt #: 125 total cpu time spent up to now is 1173.6 secs Computing kpt #: 126 total cpu time spent up to now is 1180.8 secs Computing kpt #: 127 total cpu time spent up to now is 1188.1 secs Computing kpt #: 128 total cpu time spent up to now is 1195.8 secs Computing kpt #: 129 total cpu time spent up to now is 1203.6 secs Computing kpt #: 130 total cpu time spent up to now is 1211.8 secs Computing kpt #: 131 total cpu time spent up to now is 1219.8 secs Computing kpt #: 132 total cpu time spent up to now is 1228.2 secs Computing kpt #: 133 total cpu time spent up to now is 1236.5 secs Computing kpt #: 134 total cpu time spent up to now is 1244.7 secs Computing kpt #: 135 total cpu time spent up to now is 1253.3 secs Computing kpt #: 136 total cpu time spent up to now is 1262.1 secs Computing kpt #: 137 total cpu time spent up to now is 1270.6 secs Computing kpt #: 138 total cpu time spent up to now is 1279.0 secs Computing kpt #: 139 total cpu time spent up to now is 1287.4 secs Computing kpt #: 140 total cpu time spent up to now is 1295.8 secs Computing kpt #: 141 total cpu time spent up to now is 1304.2 secs Computing kpt #: 142 total cpu time spent up to now is 1312.7 secs Computing kpt #: 143 total cpu time spent up to now is 1321.2 secs Computing kpt #: 144 total cpu time spent up to now is 1330.1 secs Computing kpt #: 145 total cpu time spent up to now is 1338.8 secs Computing kpt #: 146 total cpu time spent up to now is 1347.3 secs Computing kpt #: 147 total cpu time spent up to now is 1355.9 secs Computing kpt #: 148 total cpu time spent up to now is 1364.7 secs Computing kpt #: 149 total cpu time spent up to now is 1373.1 secs Computing kpt #: 150 total cpu time spent up to now is 1381.9 secs Computing kpt #: 151 total cpu time spent up to now is 1390.7 secs Computing kpt #: 152 total cpu time spent up to now is 1400.0 secs Computing kpt #: 153 total cpu time spent up to now is 1409.1 secs Computing kpt #: 154 total cpu time spent up to now is 1418.1 secs Computing kpt #: 155 total cpu time spent up to now is 1427.2 secs Computing kpt #: 156 total cpu time spent up to now is 1435.6 secs Computing kpt #: 157 total cpu time spent up to now is 1444.6 secs Computing kpt #: 158 total cpu time spent up to now is 1454.1 secs Computing kpt #: 159 total cpu time spent up to now is 1462.5 secs Computing kpt #: 160 total cpu time spent up to now is 1471.4 secs Computing kpt #: 161 total cpu time spent up to now is 1480.1 secs Computing kpt #: 162 total cpu time spent up to now is 1489.0 secs Computing kpt #: 163 total cpu time spent up to now is 1497.4 secs Computing kpt #: 164 total cpu time spent up to now is 1505.9 secs Computing kpt #: 165 total cpu time spent up to now is 1514.5 secs Computing kpt #: 166 total cpu time spent up to now is 1522.9 secs Computing kpt #: 167 total cpu time spent up to now is 1531.4 secs Computing kpt #: 168 total cpu time spent up to now is 1539.9 secs Computing kpt #: 169 total cpu time spent up to now is 1548.4 secs Computing kpt #: 170 total cpu time spent up to now is 1557.2 secs Computing kpt #: 171 total cpu time spent up to now is 1566.0 secs Computing kpt #: 172 total cpu time spent up to now is 1574.6 secs Computing kpt #: 173 total cpu time spent up to now is 1583.0 secs Computing kpt #: 174 total cpu time spent up to now is 1591.4 secs Computing kpt #: 175 total cpu time spent up to now is 1599.8 secs Computing kpt #: 176 total cpu time spent up to now is 1608.2 secs Computing kpt #: 177 total cpu time spent up to now is 1616.5 secs Computing kpt #: 178 total cpu time spent up to now is 1624.8 secs Computing kpt #: 179 total cpu time spent up to now is 1632.3 secs Computing kpt #: 180 total cpu time spent up to now is 1640.8 secs Computing kpt #: 181 total cpu time spent up to now is 1648.2 secs Computing kpt #: 182 total cpu time spent up to now is 1656.4 secs Computing kpt #: 183 total cpu time spent up to now is 1664.0 secs Computing kpt #: 184 total cpu time spent up to now is 1671.8 secs Computing kpt #: 185 total cpu time spent up to now is 1679.2 secs Computing kpt #: 186 total cpu time spent up to now is 1686.6 secs Computing kpt #: 187 total cpu time spent up to now is 1694.3 secs Computing kpt #: 188 total cpu time spent up to now is 1701.7 secs Computing kpt #: 189 total cpu time spent up to now is 1710.0 secs Computing kpt #: 190 total cpu time spent up to now is 1718.3 secs Computing kpt #: 191 total cpu time spent up to now is 1726.8 secs Computing kpt #: 192 total cpu time spent up to now is 1735.2 secs Computing kpt #: 193 total cpu time spent up to now is 1743.8 secs Computing kpt #: 194 total cpu time spent up to now is 1754.7 secs Computing kpt #: 195 total cpu time spent up to now is 1763.3 secs Computing kpt #: 196 total cpu time spent up to now is 1771.8 secs Computing kpt #: 197 total cpu time spent up to now is 1780.2 secs Computing kpt #: 198 total cpu time spent up to now is 1788.9 secs Computing kpt #: 199 total cpu time spent up to now is 1797.8 secs Computing kpt #: 200 total cpu time spent up to now is 1806.6 secs Computing kpt #: 201 total cpu time spent up to now is 1815.1 secs Computing kpt #: 202 total cpu time spent up to now is 1824.0 secs Computing kpt #: 203 total cpu time spent up to now is 1832.6 secs Computing kpt #: 204 total cpu time spent up to now is 1841.3 secs Computing kpt #: 205 total cpu time spent up to now is 1849.8 secs Computing kpt #: 206 total cpu time spent up to now is 1858.2 secs Computing kpt #: 207 total cpu time spent up to now is 1866.7 secs Computing kpt #: 208 total cpu time spent up to now is 1875.0 secs Computing kpt #: 209 total cpu time spent up to now is 1883.3 secs Computing kpt #: 210 total cpu time spent up to now is 1891.6 secs Computing kpt #: 211 total cpu time spent up to now is 1900.0 secs Computing kpt #: 212 total cpu time spent up to now is 1908.2 secs Computing kpt #: 213 total cpu time spent up to now is 1916.4 secs Computing kpt #: 214 total cpu time spent up to now is 1924.6 secs Computing kpt #: 215 total cpu time spent up to now is 1932.9 secs Computing kpt #: 216 total cpu time spent up to now is 1941.5 secs Computing kpt #: 217 total cpu time spent up to now is 1949.8 secs Computing kpt #: 218 total cpu time spent up to now is 1957.7 secs Computing kpt #: 219 total cpu time spent up to now is 1965.3 secs Computing kpt #: 220 total cpu time spent up to now is 1972.9 secs Computing kpt #: 221 total cpu time spent up to now is 1980.5 secs Computing kpt #: 222 total cpu time spent up to now is 1988.0 secs Computing kpt #: 223 total cpu time spent up to now is 1995.7 secs Computing kpt #: 224 total cpu time spent up to now is 2004.0 secs Computing kpt #: 225 total cpu time spent up to now is 2012.4 secs Computing kpt #: 226 total cpu time spent up to now is 2020.4 secs Computing kpt #: 227 total cpu time spent up to now is 2028.7 secs Computing kpt #: 228 total cpu time spent up to now is 2037.3 secs Computing kpt #: 229 total cpu time spent up to now is 2045.8 secs Computing kpt #: 230 total cpu time spent up to now is 2057.0 secs Computing kpt #: 231 total cpu time spent up to now is 2065.8 secs Computing kpt #: 232 total cpu time spent up to now is 2074.4 secs Computing kpt #: 233 total cpu time spent up to now is 2083.1 secs Computing kpt #: 234 total cpu time spent up to now is 2091.9 secs Computing kpt #: 235 total cpu time spent up to now is 2100.5 secs Computing kpt #: 236 total cpu time spent up to now is 2109.0 secs Computing kpt #: 237 total cpu time spent up to now is 2117.4 secs Computing kpt #: 238 total cpu time spent up to now is 2125.9 secs Computing kpt #: 239 total cpu time spent up to now is 2134.7 secs Computing kpt #: 240 total cpu time spent up to now is 2143.3 secs Computing kpt #: 241 total cpu time spent up to now is 2151.8 secs Computing kpt #: 242 total cpu time spent up to now is 2163.0 secs Computing kpt #: 243 total cpu time spent up to now is 2174.0 secs Computing kpt #: 244 total cpu time spent up to now is 2185.4 secs Computing kpt #: 245 total cpu time spent up to now is 2196.7 secs Computing kpt #: 246 total cpu time spent up to now is 2207.3 secs Computing kpt #: 247 total cpu time spent up to now is 2218.0 secs Computing kpt #: 248 total cpu time spent up to now is 2228.6 secs Computing kpt #: 249 total cpu time spent up to now is 2239.3 secs Computing kpt #: 250 total cpu time spent up to now is 2248.7 secs Computing kpt #: 251 total cpu time spent up to now is 2258.4 secs Computing kpt #: 252 total cpu time spent up to now is 2267.5 secs Computing kpt #: 253 total cpu time spent up to now is 2276.0 secs Computing kpt #: 254 total cpu time spent up to now is 2285.5 secs Computing kpt #: 255 total cpu time spent up to now is 2294.3 secs ethr = 1.61E-11, avg # of iterations = 51.9 total cpu time spent up to now is 2294.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10351 PWs) bands (ev): -8.3314 -8.3314 -7.6436 -7.6436 -7.6217 -7.6217 -7.6171 -7.6171 -2.7836 -2.7836 -2.7520 -2.7520 -1.1882 -1.1882 -1.1055 -1.1055 -1.0961 -1.0961 -0.5150 -0.5150 0.3063 0.3063 1.1597 1.1597 1.2692 1.2692 1.6180 1.6180 1.7632 1.7632 1.8307 1.8307 2.0857 2.0857 2.1239 2.1239 2.4933 2.4933 3.0161 3.0161 3.0783 3.0783 3.5433 3.5433 3.6512 3.6512 3.6732 3.6732 3.7027 3.7027 3.7934 3.7934 3.9114 3.9114 4.0949 4.0949 4.8471 4.8471 5.2923 5.2923 5.3102 5.3102 5.8141 5.8141 7.6871 7.6871 8.1991 8.1991 9.5595 9.5595 9.8647 9.8647 10.1977 10.1977 k = 0.0000 0.0000 0.0235 ( 10331 PWs) bands (ev): -8.3309 -8.3308 -7.6441 -7.6434 -7.6223 -7.6217 -7.6174 -7.6174 -2.7839 -2.7833 -2.7525 -2.7516 -1.1910 -1.1855 -1.1075 -1.1041 -1.0980 -1.0934 -0.5166 -0.5121 0.3001 0.3133 1.1565 1.1618 1.2650 1.2708 1.6096 1.6252 1.7513 1.7722 1.8295 1.8311 2.0818 2.0938 2.1184 2.1344 2.4891 2.4971 3.0100 3.0177 3.0748 3.0778 3.5343 3.5531 3.6486 3.6545 3.6717 3.6743 3.6973 3.7115 3.7864 3.8015 3.9067 3.9182 4.0949 4.0959 4.8443 4.8460 5.2804 5.2892 5.3048 5.3097 5.8179 5.8308 7.6865 7.6963 8.2011 8.2055 9.5446 9.5721 9.8467 9.8807 10.1769 10.2191 k = 0.0000 0.0000 0.0470 ( 10315 PWs) bands (ev): -8.3291 -8.3291 -7.6447 -7.6433 -7.6234 -7.6223 -7.6183 -7.6182 -2.7841 -2.7830 -2.7531 -2.7513 -1.1940 -1.1831 -1.1095 -1.1045 -1.0981 -1.0905 -0.5169 -0.5081 0.2946 0.3210 1.1518 1.1629 1.2585 1.2707 1.6006 1.6308 1.7363 1.7788 1.8281 1.8302 2.0823 2.1050 2.1184 2.1504 2.4844 2.5006 2.9978 3.0158 3.0666 3.0750 3.5264 3.5634 3.6465 3.6584 3.6695 3.6757 3.6957 3.7224 3.7813 3.8102 3.9041 3.9273 4.0958 4.0978 4.8376 4.8409 5.2539 5.2687 5.2973 5.3068 5.8411 5.8646 7.6943 7.7136 8.2117 8.2203 9.5277 9.5820 9.8271 9.8939 10.1572 10.2407 k = 0.0000 0.0000 0.0704 ( 10305 PWs) bands (ev): -8.3263 -8.3263 -7.6456 -7.6435 -7.6251 -7.6236 -7.6197 -7.6195 -2.7843 -2.7828 -2.7538 -2.7511 -1.1970 -1.1810 -1.1114 -1.1064 -1.0964 -1.0877 -0.5160 -0.5030 0.2897 0.3293 1.1445 1.1624 1.2505 1.2700 1.5917 1.6350 1.7182 1.7837 1.8268 1.8274 2.0855 2.1176 2.1250 2.1722 2.4794 2.5038 2.9782 3.0102 3.0543 3.0716 3.5196 3.5739 3.6446 3.6632 3.6677 3.6780 3.6969 3.7334 3.7796 3.8192 3.9034 3.9388 4.0976 4.1006 4.8270 4.8315 5.2173 5.2334 5.2892 5.3021 5.8794 5.9103 7.7099 7.7380 8.2317 8.2436 9.5095 9.5887 9.8067 9.9038 10.1392 10.2618 k = 0.0000 0.0000 0.0939 ( 10305 PWs) bands (ev): -8.3224 -8.3223 -7.6467 -7.6440 -7.6272 -7.6257 -7.6216 -7.6211 -2.7845 -2.7825 -2.7545 -2.7511 -1.2000 -1.1794 -1.1130 -1.1086 -1.0941 -1.0848 -0.5138 -0.4969 0.2854 0.3380 1.1337 1.1590 1.2429 1.2703 1.5839 1.6376 1.6967 1.7873 1.8227 1.8259 2.0897 2.1304 2.1390 2.1997 2.4739 2.5067 2.9510 2.9990 3.0407 3.0687 3.5140 3.5843 3.6430 3.6672 3.6688 3.6815 3.6996 3.7415 3.7836 3.8282 3.9048 3.9531 4.1005 4.1042 4.8122 4.8172 5.1758 5.1899 5.2794 5.2953 5.9278 5.9635 7.7323 7.7680 8.2618 8.2757 9.4903 9.5920 9.7856 9.9095 10.1232 10.2815 k = 0.0000 0.0000 0.1174 ( 10293 PWs) bands (ev): -8.3173 -8.3173 -7.6482 -7.6450 -7.6299 -7.6285 -7.6238 -7.6228 -2.7846 -2.7822 -2.7553 -2.7513 -1.2029 -1.1783 -1.1144 -1.1108 -1.0915 -1.0821 -0.5105 -0.4902 0.2815 0.3468 1.1189 1.1512 1.2377 1.2724 1.5780 1.6391 1.6718 1.7900 1.8166 1.8256 2.0945 2.1429 2.1594 2.2320 2.4679 2.5094 2.9168 2.9796 3.0293 3.0662 3.5096 3.5942 3.6418 3.6683 3.6751 3.6861 3.7031 3.7452 3.7949 3.8371 3.9086 3.9700 4.1043 4.1087 4.7929 4.7976 5.1334 5.1428 5.2677 5.2864 5.9824 6.0208 7.7599 7.8018 8.3030 8.3171 9.4704 9.5917 9.7644 9.9102 10.1099 10.2987 k = 0.0000 0.0000 0.1409 ( 10281 PWs) bands (ev): -8.3112 -8.3111 -7.6502 -7.6467 -7.6332 -7.6321 -7.6260 -7.6245 -2.7847 -2.7819 -2.7561 -2.7515 -1.2056 -1.1778 -1.1153 -1.1128 -1.0889 -1.0794 -0.5063 -0.4831 0.2778 0.3556 1.1004 1.1385 1.2362 1.2766 1.5750 1.6395 1.6434 1.7913 1.8109 1.8261 2.1001 2.1550 2.1840 2.2679 2.4617 2.5121 2.8767 2.9523 3.0209 3.0640 3.5063 3.6033 3.6412 3.6709 3.6821 3.6918 3.7071 3.7464 3.8109 3.8461 3.9154 3.9896 4.1092 4.1140 4.7689 4.7725 5.0924 5.0949 5.2541 5.2754 6.0403 6.0800 7.7916 7.8376 8.3560 8.3679 9.4502 9.5878 9.7431 9.9050 10.0996 10.3118 k = 0.0000 0.0000 0.1644 ( 10277 PWs) bands (ev): -8.3040 -8.3039 -7.6527 -7.6492 -7.6372 -7.6364 -7.6280 -7.6262 -2.7848 -2.7817 -2.7569 -2.7519 -1.2082 -1.1780 -1.1157 -1.1146 -1.0862 -1.0767 -0.5015 -0.4757 0.2741 0.3639 1.0789 1.1217 1.2381 1.2827 1.5754 1.6118 1.6387 1.7898 1.8083 1.8274 2.1065 2.1665 2.2111 2.3062 2.4553 2.5149 2.8320 2.9197 3.0141 3.0618 3.5041 3.6116 3.6415 3.6745 3.6892 3.6986 3.7115 3.7472 3.8289 3.8552 3.9260 4.0115 4.1150 4.1201 4.7399 4.7419 5.0482 5.0543 5.2389 5.2625 6.0997 6.1393 7.8258 7.8742 8.4209 8.4279 9.4300 9.5802 9.7220 9.8936 10.0924 10.3190 k = 0.0000 0.0000 0.1879 ( 10267 PWs) bands (ev): -8.2957 -8.2956 -7.6559 -7.6527 -7.6418 -7.6413 -7.6295 -7.6278 -2.7848 -2.7814 -2.7577 -2.7525 -1.2105 -1.1790 -1.1161 -1.1155 -1.0835 -1.0742 -0.4963 -0.4683 0.2702 0.3713 1.0553 1.1026 1.2427 1.2899 1.5720 1.5847 1.6365 1.7865 1.8095 1.8297 2.1136 2.1774 2.2386 2.3455 2.4495 2.5184 2.7838 2.8841 3.0079 3.0596 3.5030 3.6191 3.6428 3.6786 3.6961 3.7064 3.7165 3.7489 3.8471 3.8648 3.9411 4.0353 4.1218 4.1272 4.7062 4.7065 5.0038 5.0193 5.2222 5.2477 6.1592 6.1974 7.8617 7.9106 8.4965 8.4973 9.4099 9.5692 9.7009 9.8759 10.0879 10.3185 k = 0.0000 0.0000 0.2113 ( 10273 PWs) bands (ev): -8.2864 -8.2863 -7.6597 -7.6569 -7.6470 -7.6468 -7.6307 -7.6294 -2.7847 -2.7813 -2.7585 -2.7531 -1.2126 -1.1807 -1.1174 -1.1148 -1.0807 -1.0716 -0.4910 -0.4612 0.2659 0.3774 1.0305 1.0827 1.2492 1.2973 1.5365 1.5910 1.6327 1.7849 1.8127 1.8328 2.1213 2.1874 2.2642 2.3840 2.4452 2.5234 2.7332 2.8470 3.0019 3.0571 3.5027 3.6257 3.6450 3.6826 3.7023 3.7147 3.7225 3.7520 3.8646 3.8752 3.9612 4.0605 4.1295 4.1356 4.6674 4.6683 4.9618 4.9870 5.2043 5.2313 6.2175 6.2534 7.8986 7.9466 8.5721 8.5839 9.3900 9.5547 9.6798 9.8528 10.0856 10.3095 k = 0.0000 0.0000 0.2348 ( 10285 PWs) bands (ev): -8.2762 -8.2760 -7.6642 -7.6619 -7.6528 -7.6528 -7.6316 -7.6308 -2.7846 -2.7812 -2.7593 -2.7538 -1.2143 -1.1831 -1.1184 -1.1135 -1.0779 -1.0692 -0.4858 -0.4547 0.2610 0.3816 1.0052 1.0634 1.2575 1.3041 1.4955 1.6040 1.6271 1.7876 1.8169 1.8371 2.1292 2.1962 2.2851 2.4189 2.4443 2.5321 2.6814 2.8098 2.9961 3.0545 3.5032 3.6316 3.6481 3.6860 3.7079 3.7231 3.7297 3.7570 3.8815 3.8866 3.9860 4.0858 4.1383 4.1459 4.6260 4.6272 4.9219 4.9566 5.1854 5.2135 6.2739 6.3064 7.9362 7.9823 8.6528 8.6789 9.3704 9.5368 9.6587 9.8258 10.0852 10.2930 k = 0.0000 0.0000 0.2583 ( 10283 PWs) bands (ev): -8.2650 -8.2648 -7.6693 -7.6676 -7.6593 -7.6591 -7.6325 -7.6322 -2.7844 -2.7812 -2.7600 -2.7545 -1.2157 -1.1862 -1.1192 -1.1117 -1.0751 -1.0667 -0.4812 -0.4490 0.2553 0.3836 0.9800 1.0456 1.2676 1.3093 1.4520 1.6203 1.6208 1.7952 1.8220 1.8425 2.1371 2.2038 2.2979 2.4454 2.4496 2.5483 2.6300 2.7738 2.9903 3.0516 3.5046 3.6368 3.6519 3.6886 3.7127 3.7313 3.7385 3.7642 3.8982 3.8995 4.0148 4.1093 4.1482 4.1600 4.5835 4.5840 4.8835 4.9272 5.1656 5.1946 6.3276 6.3557 7.9743 8.0179 8.7356 8.7800 9.3508 9.5151 9.6378 9.7975 10.0865 10.2714 k = 0.0000 0.0000 0.2818 ( 10287 PWs) bands (ev): -8.2528 -8.2526 -7.6749 -7.6737 -7.6661 -7.6659 -7.6336 -7.6333 -2.7842 -2.7812 -2.7607 -2.7553 -1.2167 -1.1897 -1.1198 -1.1095 -1.0722 -1.0642 -0.4774 -0.4444 0.2486 0.3829 0.9554 1.0301 1.2798 1.3120 1.4065 1.6137 1.6401 1.8064 1.8289 1.8496 2.1448 2.2098 2.3010 2.4591 2.4622 2.5741 2.5817 2.7401 2.9846 3.0485 3.5067 3.6414 3.6562 3.6905 3.7167 3.7392 3.7489 3.7734 3.9140 3.9156 4.0464 4.1282 4.1592 4.1800 4.5399 4.5411 4.8459 4.8979 5.1453 5.1746 6.3779 6.4005 8.0130 8.0537 8.8169 8.8843 9.3305 9.4884 9.6176 9.7718 10.0899 10.2482 k = 0.0000 0.0000 0.3053 ( 10295 PWs) bands (ev): -8.2398 -8.2395 -7.6809 -7.6802 -7.6733 -7.6730 -7.6351 -7.6343 -2.7838 -2.7814 -2.7613 -2.7560 -1.2174 -1.1937 -1.1202 -1.1070 -1.0693 -1.0617 -0.4746 -0.4410 0.2409 0.3793 0.9317 1.0177 1.2942 1.3115 1.3595 1.6089 1.6605 1.8165 1.8415 1.8589 2.1518 2.2136 2.2958 2.4587 2.4805 2.5389 2.6094 2.7100 2.9790 3.0451 3.5095 3.6452 3.6604 3.6922 3.7200 3.7468 3.7607 3.7847 3.9305 3.9343 4.0796 4.1423 4.1718 4.2058 4.4957 4.4997 4.8084 4.8681 5.1246 5.1540 6.4241 6.4403 8.0524 8.0901 8.8921 8.9881 9.3086 9.4549 9.5998 9.7543 10.0960 10.2268 k = 0.0000 0.0000 0.3287 ( 10311 PWs) bands (ev): -8.2260 -8.2256 -7.6874 -7.6871 -7.6808 -7.6804 -7.6367 -7.6355 -2.7834 -2.7817 -2.7620 -2.7567 -1.2177 -1.1979 -1.1205 -1.1042 -1.0665 -1.0592 -0.4731 -0.4390 0.2321 0.3727 0.9089 1.0088 1.3070 1.3075 1.3156 1.6073 1.6798 1.8219 1.8616 1.8715 2.1577 2.2148 2.2861 2.4418 2.5009 2.5117 2.6478 2.6847 2.9734 3.0416 3.5130 3.6485 3.6638 3.6945 3.7228 3.7539 3.7738 3.7977 3.9492 3.9546 4.1129 4.1532 4.1866 4.2351 4.4523 4.4600 4.7707 4.8373 5.1035 5.1328 6.4656 6.4746 8.0926 8.1272 8.9563 9.0859 9.2847 9.4133 9.5874 9.7507 10.1053 10.2098 k = 0.0000 0.0000 0.3522 ( 10311 PWs) bands (ev): -8.2114 -8.2109 -7.6942 -7.6942 -7.6884 -7.6880 -7.6385 -7.6368 -2.7829 -2.7821 -2.7626 -2.7574 -1.2178 -1.2024 -1.1206 -1.1013 -1.0636 -1.0567 -0.4731 -0.4386 0.2221 0.3630 0.8872 1.0037 1.2619 1.3001 1.3314 1.6098 1.6958 1.8237 1.8863 1.8885 2.1616 2.2123 2.2761 2.4130 2.4991 2.5196 2.6661 2.6874 2.9681 3.0379 3.5173 3.6511 3.6655 3.6982 3.7253 3.7606 3.7883 3.8124 3.9703 3.9768 4.1443 4.1626 4.2051 4.2656 4.4103 4.4230 4.7325 4.8055 5.0821 5.1113 6.5020 6.5031 8.1337 8.1652 9.0047 9.1628 9.2664 9.3639 9.5848 9.7644 10.1185 10.1991 k = 0.0000 0.0000 0.3757 ( 10315 PWs) bands (ev): -8.1960 -8.1955 -7.7015 -7.7012 -7.6962 -7.6958 -7.6406 -7.6385 -2.7826 -2.7823 -2.7631 -2.7579 -1.2175 -1.2069 -1.1205 -1.0983 -1.0608 -1.0542 -0.4746 -0.4398 0.2112 0.3505 0.8665 1.0026 1.2131 1.2900 1.3532 1.6165 1.7061 1.8226 1.9107 1.9126 2.1626 2.2052 2.2701 2.3845 2.4921 2.5326 2.6567 2.7267 2.9628 3.0341 3.5223 3.6532 3.6650 3.7041 3.7275 3.7669 3.8040 3.8286 3.9939 4.0010 4.1709 4.1710 4.2294 4.2947 4.3703 4.3905 4.6939 4.7725 5.0606 5.0895 6.5255 6.5326 8.1756 8.2040 9.0332 9.1717 9.2933 9.3102 9.5969 9.7950 10.1359 10.1959 k = 0.0000 0.0000 0.3992 ( 10323 PWs) bands (ev): -8.1800 -8.1794 -7.7090 -7.7084 -7.7042 -7.7037 -7.6430 -7.6406 -2.7833 -2.7817 -2.7637 -2.7583 -1.2170 -1.2114 -1.1204 -1.0952 -1.0580 -1.0517 -0.4777 -0.4428 0.1993 0.3355 0.8466 1.0055 1.1645 1.2783 1.3771 1.6270 1.7094 1.8183 1.9379 1.9380 2.1607 2.1933 2.2711 2.3630 2.4863 2.5369 2.6586 2.7650 2.9578 3.0301 3.5280 3.6546 3.6627 3.7118 3.7294 3.7730 3.8209 3.8462 4.0200 4.0272 4.1784 4.1920 4.2593 4.3139 4.3334 4.3707 4.6549 4.7384 5.0389 5.0675 6.5416 6.5572 8.2184 8.2435 9.0375 9.1282 9.2596 9.3452 9.6258 9.8385 10.1578 10.2006 k = 0.0000 0.0000 0.4227 ( 10319 PWs) bands (ev): -8.1634 -8.1627 -7.7165 -7.7157 -7.7121 -7.7116 -7.6457 -7.6430 -2.7840 -2.7810 -2.7642 -2.7586 -1.2164 -1.2159 -1.1201 -1.0922 -1.0553 -1.0493 -0.4825 -0.4474 0.1866 0.3183 0.8273 1.0123 1.1169 1.2659 1.4024 1.6408 1.7057 1.8103 1.9607 1.9688 2.1575 2.1785 2.2802 2.3501 2.4804 2.5338 2.6700 2.8018 2.9530 3.0261 3.5345 3.6556 3.6591 3.7211 3.7310 3.7789 3.8390 3.8651 4.0486 4.0555 4.1850 4.2090 4.2828 4.3048 4.3096 4.3818 4.6159 4.7035 5.0170 5.0453 6.5512 6.5753 8.2618 8.2837 9.0124 9.0676 9.2222 9.3889 9.6677 9.8892 10.1843 10.2129 k = 0.0000 0.0000 0.4462 ( 10319 PWs) bands (ev): -8.1462 -8.1454 -7.7240 -7.7232 -7.7199 -7.7195 -7.6489 -7.6459 -2.7847 -2.7802 -2.7647 -2.7589 -1.2202 -1.2156 -1.1197 -1.0892 -1.0526 -1.0469 -0.4887 -0.4537 0.1732 0.2994 0.8084 1.0219 1.0715 1.2539 1.4280 1.6570 1.6957 1.7985 1.9794 2.0009 2.1555 2.1643 2.2962 2.3448 2.4738 2.5274 2.6867 2.8365 2.9485 3.0220 3.5416 3.6544 3.6561 3.7318 3.7321 3.7848 3.8583 3.8851 4.0798 4.0855 4.1900 4.2224 4.2617 4.2826 4.3366 4.4088 4.5772 4.6682 4.9950 5.0230 6.5544 6.5866 8.3056 8.3244 8.9583 8.9970 9.2024 9.4247 9.7141 9.9416 10.2153 10.2326 k = 0.0000 0.0000 0.4696 ( 10307 PWs) bands (ev): -8.1284 -8.1275 -7.7315 -7.7306 -7.7277 -7.7274 -7.6525 -7.6493 -2.7855 -2.7794 -2.7653 -2.7590 -1.2244 -1.2147 -1.1192 -1.0863 -1.0500 -1.0445 -0.4964 -0.4615 0.1594 0.2792 0.7898 1.0169 1.0460 1.2428 1.4522 1.6746 1.6813 1.7834 1.9938 2.0304 2.1553 2.1557 2.3168 2.3454 2.4664 2.5219 2.7054 2.8689 2.9442 3.0179 3.5493 3.6490 3.6562 3.7326 3.7441 3.7912 3.8788 3.9061 4.1134 4.1170 4.1924 4.2206 4.2489 4.2615 4.3731 4.4384 4.5393 4.6329 4.9728 5.0004 6.5513 6.5910 8.3497 8.3653 8.8850 8.9189 9.1952 9.4575 9.7578 9.9918 10.2507 10.2590 k = 0.0000 0.0000 0.4931 ( 10289 PWs) bands (ev): -8.1103 -8.1093 -7.7389 -7.7381 -7.7352 -7.7351 -7.6567 -7.6533 -2.7863 -2.7786 -2.7658 -2.7591 -1.2283 -1.2139 -1.1186 -1.0835 -1.0474 -1.0422 -0.5053 -0.4706 0.1453 0.2582 0.7714 0.9774 1.0602 1.2328 1.4719 1.6664 1.6925 1.7664 2.0050 2.0527 2.1557 2.1579 2.3380 2.3510 2.4584 2.5215 2.7243 2.8985 2.9402 3.0140 3.5574 3.6432 3.6559 3.7322 3.7580 3.7980 3.9002 3.9278 4.1482 4.1488 4.1899 4.1997 4.2463 4.2586 4.4103 4.4679 4.5028 4.5981 4.9503 4.9776 6.5421 6.5884 8.3937 8.4064 8.8009 8.8349 9.1953 9.4901 9.7950 10.0375 10.2904 10.2914 k = 0.0000 0.0000 0.5166 ( 10293 PWs) bands (ev): -8.0918 -8.0906 -7.7462 -7.7454 -7.7426 -7.7425 -7.6614 -7.6578 -2.7870 -2.7777 -2.7663 -2.7592 -1.2320 -1.2131 -1.1178 -1.0810 -1.0449 -1.0400 -0.5151 -0.4808 0.1312 0.2368 0.7533 0.9363 1.0814 1.2240 1.4820 1.6566 1.7072 1.7515 2.0143 2.0649 2.1612 2.1669 2.3542 2.3613 2.4502 2.5307 2.7426 2.9249 2.9365 3.0105 3.5657 3.6370 3.6553 3.7307 3.7738 3.8055 3.9225 3.9499 4.1615 4.1761 4.1903 4.1972 4.2398 4.2714 4.4466 4.4688 4.4964 4.5645 4.9277 4.9545 6.5271 6.5789 8.4371 8.4474 8.7110 8.7467 9.2002 9.5236 9.8249 10.0777 10.3294 10.3341 k = 0.0000 0.0000 0.5401 ( 10279 PWs) bands (ev): -8.0729 -8.0717 -7.7533 -7.7527 -7.7498 -7.7496 -7.6667 -7.6630 -2.7877 -2.7769 -2.7668 -2.7592 -1.2353 -1.2125 -1.1170 -1.0786 -1.0426 -1.0379 -0.5256 -0.4920 0.1171 0.2152 0.7355 0.8970 1.1060 1.2160 1.4773 1.6583 1.7087 1.7501 2.0228 2.0700 2.1648 2.1839 2.3609 2.3749 2.4433 2.5526 2.7596 2.9332 2.9474 3.0082 3.5739 3.6307 3.6545 3.7280 3.7916 3.8138 3.9452 3.9718 4.1456 4.1643 4.2229 4.2276 4.2438 4.2841 4.4360 4.4838 4.5213 4.5346 4.9049 4.9312 6.5067 6.5628 8.4787 8.4880 8.6190 8.6553 9.2091 9.5577 9.8483 10.1125 10.3724 10.3815 k = 0.0000 0.0000 0.5636 ( 10281 PWs) bands (ev): -8.0539 -8.0525 -7.7601 -7.7597 -7.7567 -7.7563 -7.6726 -7.6688 -2.7883 -2.7760 -2.7673 -2.7592 -1.2383 -1.2122 -1.1159 -1.0766 -1.0403 -1.0360 -0.5367 -0.5038 0.1034 0.1939 0.7182 0.8601 1.1335 1.2082 1.4581 1.6723 1.6966 1.7633 2.0312 2.0723 2.1683 2.2005 2.3581 2.3865 2.4432 2.5859 2.7751 2.9303 2.9642 3.0085 3.5818 3.6245 3.6534 3.7239 3.8115 3.8226 3.9678 3.9927 4.1294 4.1495 4.2345 4.2617 4.2752 4.2967 4.4090 4.5009 4.5186 4.5507 4.8820 4.9077 6.4814 6.5404 8.5002 8.5280 8.5446 8.5621 9.2217 9.5906 9.8677 10.1424 10.4198 10.4322 k = 0.0000 0.0000 0.5870 ( 10277 PWs) bands (ev): -8.0347 -8.0331 -7.7667 -7.7664 -7.7633 -7.7628 -7.6792 -7.6753 -2.7887 -2.7753 -2.7678 -2.7592 -1.2408 -1.2121 -1.1147 -1.0748 -1.0382 -1.0342 -0.5479 -0.5161 0.0902 0.1731 0.7017 0.8257 1.1633 1.2000 1.4294 1.6831 1.6942 1.7799 2.0397 2.0743 2.1715 2.2138 2.3486 2.3869 2.4583 2.6265 2.7889 2.9277 2.9729 3.0141 3.5891 3.6186 3.6521 3.7185 3.8319 3.8333 3.9893 4.0111 4.1185 4.1366 4.2374 4.2881 4.3132 4.3176 4.3896 4.4736 4.5523 4.5744 4.8591 4.8839 6.4518 6.5122 8.4211 8.4677 8.5676 8.5694 9.2374 9.6198 9.8864 10.1680 10.4710 10.4857 k = 0.0000 0.0000 0.6105 ( 10273 PWs) bands (ev): -8.0153 -8.0137 -7.7730 -7.7727 -7.7695 -7.7688 -7.6865 -7.6825 -2.7890 -2.7747 -2.7682 -2.7593 -1.2430 -1.2123 -1.1132 -1.0734 -1.0362 -1.0325 -0.5590 -0.5286 0.0776 0.1530 0.6862 0.7940 1.1910 1.1948 1.3963 1.6723 1.7200 1.7964 2.0482 2.0767 2.1742 2.2233 2.3350 2.3771 2.4860 2.6708 2.8009 2.9256 2.9742 3.0242 3.5953 3.6134 3.6508 3.7117 3.8411 3.8564 4.0075 4.0247 4.1158 4.1284 4.2392 4.2945 4.3375 4.3620 4.3857 4.4493 4.5845 4.5965 4.8363 4.8600 6.4185 6.4791 8.3280 8.3737 8.6060 8.6077 9.2556 9.6418 9.9084 10.1904 10.5253 10.5413 k = 0.0000 0.0000 0.6340 ( 10261 PWs) bands (ev): -7.9960 -7.9942 -7.7788 -7.7787 -7.7752 -7.7745 -7.6945 -7.6905 -2.7892 -2.7743 -2.7685 -2.7593 -1.2447 -1.2130 -1.1116 -1.0724 -1.0343 -1.0310 -0.5698 -0.5410 0.0658 0.1338 0.6718 0.7651 1.1807 1.2270 1.3625 1.6652 1.7471 1.8117 2.0568 2.0796 2.1764 2.2293 2.3193 2.3628 2.5190 2.7162 2.8111 2.9240 2.9719 3.0351 3.5992 3.6103 3.6493 3.7037 3.8500 3.8801 4.0198 4.0323 4.1229 4.1281 4.2406 4.2879 4.3535 4.4056 4.4061 4.4293 4.6150 4.6167 4.8139 4.8361 6.3825 6.4417 8.2360 8.2811 8.6432 8.6454 9.2758 9.6536 9.9372 10.2105 10.5817 10.5980 k = 0.0000 0.0000 0.6575 ( 10253 PWs) bands (ev): -7.9767 -7.9747 -7.7843 -7.7842 -7.7805 -7.7798 -7.7032 -7.6992 -2.7891 -2.7742 -2.7685 -2.7594 -1.2459 -1.2140 -1.1097 -1.0718 -1.0325 -1.0297 -0.5800 -0.5531 0.0550 0.1158 0.6589 0.7389 1.1693 1.2559 1.3335 1.6618 1.7741 1.8258 2.0652 2.0829 2.1777 2.2325 2.3029 2.3463 2.5539 2.7609 2.8192 2.9229 2.9681 3.0449 3.5985 3.6117 3.6477 3.6946 3.8578 3.9028 4.0248 4.0360 4.1377 4.1378 4.2417 4.2762 4.3637 4.4090 4.4386 4.4541 4.6348 4.6434 4.7922 4.8123 6.3446 6.4013 8.1471 8.1911 8.6790 8.6815 9.2971 9.6545 9.9738 10.2293 10.6391 10.6541 k = 0.0000 0.0000 0.6810 ( 10261 PWs) bands (ev): -7.9575 -7.9554 -7.7893 -7.7893 -7.7854 -7.7846 -7.7127 -7.7087 -2.7890 -2.7744 -2.7682 -2.7596 -1.2467 -1.2155 -1.1075 -1.0716 -1.0310 -1.0286 -0.5894 -0.5646 0.0453 0.0989 0.6475 0.7156 1.1570 1.2635 1.3279 1.6613 1.8002 1.8386 2.0731 2.0867 2.1777 2.2328 2.2870 2.3290 2.5887 2.8035 2.8254 2.9226 2.9636 3.0527 3.5955 3.6154 3.6461 3.6846 3.8643 3.9221 4.0255 4.0393 4.1550 4.1567 4.2431 4.2642 4.3731 4.3953 4.4739 4.4981 4.6508 4.6690 4.7719 4.7891 6.3059 6.3589 8.0627 8.1049 8.7129 8.7156 9.3188 9.6459 10.0169 10.2473 10.6959 10.7063 k = 0.0000 0.0000 0.7045 ( 10261 PWs) bands (ev): -7.9385 -7.9362 -7.7938 -7.7938 -7.7896 -7.7889 -7.7229 -7.7190 -2.7886 -2.7750 -2.7677 -2.7598 -1.2469 -1.2173 -1.1052 -1.0719 -1.0296 -1.0276 -0.5979 -0.5755 0.0369 0.0834 0.6377 0.6949 1.1446 1.2421 1.3541 1.6624 1.8248 1.8504 2.0806 2.0906 2.1759 2.2301 2.2729 2.3120 2.6224 2.8293 2.8430 2.9232 2.9588 3.0584 3.5927 3.6192 3.6442 3.6742 3.8693 3.9350 4.0276 4.0441 4.1758 4.1770 4.2453 4.2541 4.3820 4.3848 4.5083 4.5406 4.6647 4.6903 4.7549 4.7669 6.2676 6.3158 7.9843 8.0237 8.7447 8.7473 9.3401 9.6304 10.0641 10.2652 10.7478 10.7494 k = 0.0000 0.0000 0.7279 ( 10241 PWs) bands (ev): -7.9197 -7.9173 -7.7978 -7.7978 -7.7934 -7.7927 -7.7340 -7.7300 -2.7881 -2.7758 -2.7671 -2.7601 -1.2467 -1.2195 -1.1026 -1.0726 -1.0283 -1.0267 -0.6052 -0.5855 0.0297 0.0694 0.6297 0.6770 1.1326 1.2149 1.3890 1.6633 1.8474 1.8618 2.0874 2.0946 2.1716 2.2235 2.2620 2.2968 2.6543 2.8312 2.8777 2.9258 2.9540 3.0619 3.5906 3.6228 3.6419 3.6638 3.8731 3.9393 4.0345 4.0506 4.1965 4.1967 4.2473 4.2494 4.3778 4.3899 4.5402 4.5797 4.6764 4.7020 4.7465 4.7467 6.2309 6.2735 7.9131 7.9490 8.7738 8.7763 9.3606 9.6102 10.1129 10.2830 10.7692 10.7939 k = 0.0000 0.0000 0.7514 ( 10245 PWs) bands (ev): -7.9013 -7.8987 -7.8012 -7.8012 -7.7966 -7.7960 -7.7457 -7.7419 -2.7875 -2.7768 -2.7664 -2.7604 -1.2460 -1.2220 -1.0999 -1.0738 -1.0273 -1.0260 -0.6113 -0.5945 0.0240 0.0569 0.6235 0.6616 1.1219 1.1887 1.4257 1.6624 1.8677 1.8731 2.0936 2.0986 2.1644 2.2124 2.2551 2.2848 2.6839 2.8308 2.9032 2.9345 2.9492 3.0630 3.5895 3.6259 3.6386 3.6545 3.8763 3.9363 4.0451 4.0582 4.2133 4.2137 4.2454 4.2561 4.3746 4.3966 4.5684 4.6127 4.6859 4.6985 4.7307 4.7524 6.1971 6.2335 7.8506 7.8821 8.7999 8.8021 9.3800 9.5873 10.1610 10.3002 10.7749 10.8206 k = 0.0000 0.0000 0.7749 ( 10229 PWs) bands (ev): -7.8832 -7.8805 -7.8041 -7.8040 -7.7993 -7.7987 -7.7583 -7.7545 -2.7867 -2.7779 -2.7657 -2.7608 -1.2448 -1.2247 -1.0970 -1.0754 -1.0264 -1.0255 -0.6161 -0.6024 0.0198 0.0460 0.6190 0.6487 1.1132 1.1654 1.4623 1.6580 1.8845 1.8852 2.0993 2.1025 2.1552 2.1972 2.2519 2.2761 2.7110 2.8280 2.9142 2.9445 2.9544 3.0618 3.5897 3.6287 3.6331 3.6478 3.8793 3.9295 4.0564 4.0657 4.2235 4.2259 4.2509 4.2651 4.3754 4.4017 4.5918 4.6354 4.6893 4.6914 4.7246 4.7637 6.1676 6.1973 7.7980 7.8244 8.8223 8.8243 9.3985 9.5632 10.2064 10.3157 10.7755 10.8277 k = 0.0000 0.0000 0.7984 ( 10229 PWs) bands (ev): -7.8656 -7.8627 -7.8063 -7.8062 -7.8014 -7.8009 -7.7715 -7.7678 -2.7858 -2.7790 -2.7649 -2.7612 -1.2432 -1.2276 -1.0940 -1.0773 -1.0257 -1.0251 -0.6194 -0.6090 0.0172 0.0368 0.6163 0.6381 1.1070 1.1454 1.4979 1.6489 1.8958 1.8995 2.1051 2.1065 2.1454 2.1796 2.2515 2.2701 2.7353 2.8227 2.9187 2.9400 2.9775 3.0582 3.5910 3.6254 3.6311 3.6439 3.8826 3.9212 4.0662 4.0722 4.2283 4.2335 4.2616 4.2737 4.3800 4.4049 4.6092 4.6434 4.6822 4.6921 4.7329 4.7733 6.1438 6.1663 7.7565 7.7770 8.8406 8.8422 9.4164 9.5389 10.2472 10.3280 10.7764 10.8233 k = 0.0000 0.0000 0.8219 ( 10213 PWs) bands (ev): -7.8485 -7.8455 -7.8080 -7.8077 -7.8029 -7.8024 -7.7854 -7.7818 -2.7848 -2.7802 -2.7642 -2.7617 -1.2412 -1.2305 -1.0910 -1.0797 -1.0252 -1.0248 -0.6213 -0.6143 0.0162 0.0292 0.6153 0.6297 1.1040 1.1292 1.5318 1.6347 1.9060 1.9099 2.1106 2.1114 2.1362 2.1618 2.2529 2.2655 2.7569 2.8150 2.9219 2.9358 2.9986 3.0521 3.5937 3.6172 3.6334 3.6413 3.8866 3.9127 4.0734 4.0770 4.2319 4.2378 4.2718 4.2798 4.3871 4.4060 4.6199 4.6406 4.6803 4.6918 4.7483 4.7787 6.1269 6.1420 7.7271 7.7412 8.8543 8.8554 9.4342 9.5153 10.2817 10.3350 10.7797 10.8147 k = 0.0000 0.0000 0.8453 ( 10214 PWs) bands (ev): -7.8320 -7.8289 -7.8091 -7.8087 -7.8042 -7.8036 -7.7995 -7.7961 -2.7837 -2.7814 -2.7635 -2.7623 -1.2388 -1.2335 -1.0880 -1.0822 -1.0248 -1.0246 -0.6218 -0.6182 0.0169 0.0234 0.6161 0.6232 1.1044 1.1169 1.5632 1.6153 1.9135 1.9160 2.1151 2.1187 2.1291 2.1455 2.2553 2.2616 2.7756 2.8045 2.9250 2.9319 3.0166 3.0432 3.5977 3.6096 3.6354 3.6393 3.8916 3.9047 4.0780 4.0797 4.2354 4.2392 4.2791 4.2828 4.3947 4.4047 4.6254 4.6347 4.6829 4.6903 4.7630 4.7790 6.1178 6.1254 7.7107 7.7178 8.8628 8.8634 9.4526 9.4929 10.3084 10.3349 10.7860 10.8048 k = 0.0000 0.0000 0.8688 ( 10220 PWs) bands (ev): -7.8167 -7.8167 -7.8128 -7.8128 -7.8086 -7.8086 -7.8030 -7.8030 -2.7825 -2.7825 -2.7629 -2.7629 -1.2362 -1.2362 -1.0850 -1.0850 -1.0247 -1.0247 -0.6207 -0.6207 0.0193 0.0193 0.6188 0.6188 1.1087 1.1087 1.5913 1.5913 1.9172 1.9172 2.1197 2.1197 2.1323 2.1323 2.2582 2.2582 2.7914 2.7914 2.9283 2.9283 3.0314 3.0314 3.6030 3.6030 3.6373 3.6373 3.8976 3.8976 4.0801 4.0801 4.2381 4.2381 4.2827 4.2827 4.4008 4.4008 4.6295 4.6295 4.6870 4.6870 4.7737 4.7737 6.1173 6.1173 7.7075 7.7075 8.8659 8.8659 9.4720 9.4720 10.3263 10.3263 10.7948 10.7948 k = 0.0000 0.0000 0.8688 ( 10220 PWs) bands (ev): -7.8167 -7.8167 -7.8128 -7.8128 -7.8086 -7.8086 -7.8030 -7.8030 -2.7825 -2.7825 -2.7629 -2.7629 -1.2362 -1.2362 -1.0850 -1.0850 -1.0247 -1.0247 -0.6207 -0.6207 0.0193 0.0193 0.6188 0.6188 1.1087 1.1087 1.5913 1.5913 1.9172 1.9172 2.1197 2.1197 2.1323 2.1323 2.2582 2.2582 2.7914 2.7914 2.9283 2.9283 3.0314 3.0314 3.6030 3.6030 3.6373 3.6373 3.8976 3.8976 4.0801 4.0801 4.2381 4.2381 4.2827 4.2827 4.4008 4.4008 4.6295 4.6295 4.6870 4.6870 4.7737 4.7737 6.1173 6.1173 7.7075 7.7075 8.8659 8.8659 9.4720 9.4720 10.3263 10.3263 10.7948 10.7948 k =-0.0124 0.0176 0.8688 ( 10204 PWs) bands (ev): -7.8171 -7.8162 -7.8138 -7.8132 -7.8095 -7.8083 -7.8025 -7.8017 -2.7833 -2.7819 -2.7637 -2.7622 -1.2374 -1.2356 -1.0872 -1.0830 -1.0262 -1.0237 -0.6205 -0.6187 0.0209 0.0214 0.6184 0.6187 1.1090 1.1098 1.5912 1.5923 1.9159 1.9181 2.1146 2.1237 2.1318 2.1327 2.2532 2.2633 2.7879 2.7939 2.9246 2.9300 3.0295 3.0335 3.5996 3.6054 3.6299 3.6453 3.8959 3.8993 4.0794 4.0797 4.2365 4.2390 4.2751 4.2874 4.3980 4.4021 4.6265 4.6296 4.6850 4.6874 4.7722 4.7749 6.1193 6.1209 7.7059 7.7127 8.8637 8.8780 9.4696 9.4797 10.3157 10.3279 10.7811 10.7954 k =-0.0248 0.0352 0.8688 ( 10210 PWs) bands (ev): -7.8185 -7.8175 -7.8149 -7.8138 -7.8092 -7.8085 -7.8005 -7.7998 -2.7841 -2.7814 -2.7646 -2.7617 -1.2390 -1.2356 -1.0897 -1.0813 -1.0282 -1.0232 -0.6181 -0.6144 0.0263 0.0273 0.6176 0.6182 1.1107 1.1123 1.5919 1.5941 1.9144 1.9188 2.1085 2.1261 2.1316 2.1331 2.2480 2.2683 2.7833 2.7952 2.9189 2.9297 3.0278 3.0357 3.5949 3.6072 3.6234 3.6533 3.8941 3.9010 4.0777 4.0781 4.2334 4.2390 4.2649 4.2895 4.3935 4.4017 4.6200 4.6268 4.6815 4.6866 4.7710 4.7758 6.1271 6.1302 7.7077 7.7214 8.8714 8.8999 9.4725 9.4926 10.2967 10.3204 10.7559 10.7809 k =-0.0371 0.0528 0.8688 ( 10222 PWs) bands (ev): -7.8220 -7.8219 -7.8136 -7.8132 -7.8082 -7.8081 -7.7985 -7.7982 -2.7850 -2.7811 -2.7656 -2.7613 -1.2410 -1.2361 -1.0923 -1.0798 -1.0307 -1.0232 -0.6134 -0.6081 0.0355 0.0368 0.6164 0.6172 1.1138 1.1163 1.5934 1.5967 1.9127 1.9191 2.1015 2.1264 2.1324 2.1333 2.2428 2.2733 2.7776 2.7954 2.9114 2.9274 3.0263 3.0380 3.5887 3.6084 3.6183 3.6609 3.8924 3.9026 4.0750 4.0753 4.2281 4.2361 4.2547 4.2899 4.3872 4.4001 4.6098 4.6211 4.6768 4.6849 4.7702 4.7761 6.1402 6.1446 7.7131 7.7336 8.8885 8.9313 9.4803 9.5100 10.2697 10.3034 10.7205 10.7505 k =-0.0495 0.0704 0.8688 ( 10242 PWs) bands (ev): -7.8274 -7.8266 -7.8118 -7.8117 -7.8071 -7.8068 -7.7968 -7.7967 -2.7860 -2.7809 -2.7668 -2.7611 -1.2434 -1.2371 -1.0952 -1.0786 -1.0336 -1.0236 -0.6067 -0.6000 0.0484 0.0498 0.6147 0.6158 1.1182 1.1218 1.5958 1.6002 1.9108 1.9192 2.0936 2.1249 2.1336 2.1336 2.2373 2.2783 2.7710 2.7944 2.9023 2.9231 3.0252 3.0404 3.5814 3.6092 3.6142 3.6681 3.8906 3.9039 4.0711 4.0713 4.2197 4.2245 4.2508 4.2896 4.3791 4.3973 4.5959 4.6121 4.6717 4.6825 4.7701 4.7758 6.1582 6.1636 7.7221 7.7491 8.9143 8.9714 9.4924 9.5312 10.2354 10.2767 10.6760 10.7051 k =-0.0619 0.0880 0.8688 ( 10246 PWs) bands (ev): -7.8334 -7.8322 -7.8101 -7.8092 -7.8056 -7.8052 -7.7955 -7.7950 -2.7871 -2.7808 -2.7680 -2.7610 -1.2460 -1.2387 -1.0982 -1.0777 -1.0368 -1.0243 -0.5982 -0.5902 0.0652 0.0664 0.6125 0.6138 1.1238 1.1286 1.5989 1.6043 1.9088 1.9189 2.0849 2.1226 2.1340 2.1344 2.2317 2.2833 2.7634 2.7921 2.8918 2.9169 3.0243 3.0427 3.5737 3.6098 3.6110 3.6746 3.8887 3.9050 4.0659 4.0661 4.2063 4.2078 4.2517 4.2890 4.3695 4.3938 4.5787 4.5994 4.6670 4.6794 4.7708 4.7748 6.1806 6.1866 7.7346 7.7681 8.9478 9.0192 9.5080 9.5549 10.1950 10.2404 10.6239 10.6459 k =-0.0743 0.1056 0.8688 ( 10246 PWs) bands (ev): -7.8399 -7.8385 -7.8085 -7.8065 -7.8039 -7.8036 -7.7940 -7.7932 -2.7882 -2.7809 -2.7693 -2.7609 -1.2489 -1.2407 -1.1013 -1.0770 -1.0403 -1.0253 -0.5881 -0.5790 0.0857 0.0864 0.6098 0.6114 1.1307 1.1370 1.6026 1.6092 1.9067 1.9183 2.0755 2.1197 2.1345 2.1349 2.2259 2.2883 2.7549 2.7884 2.8803 2.9088 3.0239 3.0449 3.5661 3.6081 3.6101 3.6807 3.8866 3.9058 4.0589 4.0600 4.1853 4.1926 4.2543 4.2881 4.3586 4.3900 4.5588 4.5830 4.6629 4.6757 4.7723 4.7733 6.2066 6.2127 7.7507 7.7904 8.9875 9.0734 9.5254 9.5795 10.1502 10.1950 10.5659 10.5746 k =-0.0867 0.1231 0.8688 ( 10238 PWs) bands (ev): -7.8470 -7.8453 -7.8075 -7.8046 -7.8020 -7.8008 -7.7917 -7.7910 -2.7893 -2.7813 -2.7706 -2.7609 -1.2519 -1.2432 -1.1046 -1.0766 -1.0439 -1.0264 -0.5767 -0.5669 0.1098 0.1098 0.6066 0.6084 1.1387 1.1467 1.6070 1.6146 1.9046 1.9175 2.0654 2.1162 2.1349 2.1353 2.2199 2.2932 2.7458 2.7830 2.8681 2.8989 3.0238 3.0471 3.5589 3.6054 3.6102 3.6861 3.8843 3.9062 4.0504 4.0524 4.1631 4.1748 4.2575 4.2864 4.3468 4.3865 4.5370 4.5633 4.6594 4.6714 4.7713 4.7744 6.2355 6.2413 7.7703 7.8159 9.0318 9.1325 9.5427 9.6024 10.1034 10.1415 10.4932 10.5046 k =-0.0990 0.1407 0.8688 ( 10248 PWs) bands (ev): -7.8545 -7.8526 -7.8076 -7.8048 -7.7983 -7.7973 -7.7887 -7.7882 -2.7905 -2.7818 -2.7719 -2.7610 -1.2549 -1.2461 -1.1081 -1.0766 -1.0476 -1.0275 -0.5642 -0.5540 0.1363 0.1374 0.6028 0.6048 1.1477 1.1578 1.6119 1.6204 1.9026 1.9165 2.0549 2.1121 2.1346 2.1364 2.2136 2.2980 2.7362 2.7757 2.8559 2.8872 3.0243 3.0493 3.5525 3.6028 3.6102 3.6911 3.8816 3.9061 4.0402 4.0435 4.1406 4.1551 4.2603 4.2829 4.3348 4.3840 4.5140 4.5409 4.6563 4.6665 4.7691 4.7770 6.2665 6.2713 7.7933 7.8446 9.0787 9.1942 9.5569 9.6206 10.0581 10.0814 10.4039 10.4430 k =-0.1114 0.1583 0.8688 ( 10256 PWs) bands (ev): -7.8624 -7.8604 -7.8085 -7.8062 -7.7940 -7.7931 -7.7849 -7.7847 -2.7918 -2.7826 -2.7732 -2.7611 -1.2578 -1.2494 -1.1117 -1.0768 -1.0513 -1.0286 -0.5510 -0.5407 0.1659 0.1685 0.5984 0.6006 1.1577 1.1702 1.6171 1.6266 1.9008 1.9154 2.0439 2.1075 2.1342 2.1379 2.2071 2.3026 2.7263 2.7660 2.8444 2.8739 3.0252 3.0515 3.5471 3.6001 3.6100 3.6957 3.8785 3.9054 4.0281 4.0329 4.1186 4.1344 4.2611 4.2770 4.3245 4.3830 4.4906 4.5165 4.6532 4.6612 4.7667 4.7798 6.2988 6.3022 7.8197 7.8763 9.1255 9.2561 9.5641 9.6298 10.0165 10.0187 10.3088 10.3848 k =-0.1238 0.1759 0.8688 ( 10256 PWs) bands (ev): -7.8708 -7.8686 -7.8103 -7.8084 -7.7891 -7.7885 -7.7806 -7.7804 -2.7930 -2.7837 -2.7745 -2.7611 -1.2607 -1.2529 -1.1155 -1.0774 -1.0549 -1.0297 -0.5373 -0.5273 0.1985 0.2028 0.5933 0.5957 1.1686 1.1839 1.6227 1.6330 1.8993 1.9144 2.0327 2.1025 2.1339 2.1398 2.2003 2.3069 2.7163 2.7539 2.8340 2.8591 3.0267 3.0537 3.5427 3.5974 3.6097 3.7000 3.8747 3.9040 4.0143 4.0207 4.0978 4.1136 4.2576 4.2680 4.3182 4.3838 4.4675 4.4907 4.6502 4.6556 4.7642 4.7827 6.3318 6.3331 7.8491 7.9108 9.1691 9.3149 9.5602 9.6259 9.9481 9.9900 10.2098 10.3344 k =-0.1238 0.1759 0.8688 ( 10256 PWs) bands (ev): -7.8708 -7.8686 -7.8103 -7.8084 -7.7891 -7.7885 -7.7806 -7.7804 -2.7930 -2.7837 -2.7745 -2.7611 -1.2607 -1.2529 -1.1155 -1.0774 -1.0549 -1.0297 -0.5373 -0.5273 0.1985 0.2028 0.5933 0.5957 1.1686 1.1839 1.6227 1.6330 1.8993 1.9144 2.0327 2.1025 2.1339 2.1398 2.2003 2.3069 2.7163 2.7539 2.8340 2.8591 3.0267 3.0537 3.5427 3.5974 3.6097 3.7000 3.8747 3.9040 4.0143 4.0207 4.0978 4.1136 4.2576 4.2680 4.3182 4.3838 4.4675 4.4907 4.6502 4.6556 4.7642 4.7827 6.3318 6.3331 7.8491 7.9108 9.1691 9.3149 9.5602 9.6259 9.9481 9.9900 10.2098 10.3344 k =-0.1332 0.1893 0.8525 ( 10243 PWs) bands (ev): -7.8772 -7.8749 -7.8129 -7.8109 -7.7913 -7.7896 -7.7722 -7.7696 -2.7940 -2.7846 -2.7754 -2.7611 -1.2632 -1.2552 -1.1185 -1.0781 -1.0575 -1.0305 -0.5266 -0.5167 0.2246 0.2322 0.5887 0.5929 1.1771 1.1968 1.6142 1.6488 1.8969 1.9126 2.0239 2.0974 2.1334 2.1445 2.1951 2.3103 2.7071 2.7439 2.8267 2.8471 3.0258 3.0564 3.5401 3.5946 3.6104 3.7031 3.8711 3.9030 4.0001 4.0120 4.0831 4.0972 4.2487 4.2612 4.3164 4.3848 4.4510 4.4712 4.6425 4.6554 4.7607 4.7848 6.3556 6.3609 7.8763 7.9419 9.1973 9.3539 9.5436 9.6154 9.8934 9.9760 10.1322 10.3081 k =-0.1426 0.2027 0.8361 ( 10241 PWs) bands (ev): -7.8834 -7.8811 -7.8164 -7.8142 -7.7952 -7.7938 -7.7597 -7.7566 -2.7950 -2.7855 -2.7764 -2.7610 -1.2664 -1.2565 -1.1217 -1.0793 -1.0599 -1.0311 -0.5155 -0.5052 0.2521 0.2644 0.5845 0.5913 1.1862 1.2130 1.6009 1.6658 1.8917 1.9092 2.0147 2.0912 2.1333 2.1526 2.1900 2.3143 2.6952 2.7340 2.8190 2.8350 3.0214 3.0599 3.5381 3.5911 3.6123 3.7062 3.8668 3.9020 3.9828 4.0038 4.0695 4.0801 4.2356 4.2533 4.3164 4.3847 4.4360 4.4527 4.6321 4.6562 4.7557 4.7857 6.3816 6.3922 7.9106 7.9804 9.2186 9.3843 9.5133 9.5970 9.8372 9.9694 10.0552 10.2962 k =-0.1520 0.2160 0.8198 ( 10240 PWs) bands (ev): -7.8895 -7.8871 -7.8205 -7.8181 -7.7987 -7.7977 -7.7469 -7.7437 -2.7960 -2.7864 -2.7774 -2.7609 -1.2700 -1.2572 -1.1249 -1.0810 -1.0618 -1.0318 -0.5043 -0.4930 0.2816 0.2990 0.5812 0.5904 1.1962 1.2313 1.5866 1.6801 1.8838 1.9042 2.0052 2.0849 2.1339 2.1614 2.1859 2.3191 2.6817 2.7240 2.8097 2.8238 3.0149 3.0628 3.5369 3.5875 3.6148 3.7091 3.8619 3.9001 3.9649 3.9957 4.0564 4.0630 4.2212 4.2430 4.3170 4.3828 4.4230 4.4349 4.6212 4.6557 4.7504 4.7850 6.4098 6.4258 7.9517 8.0258 9.2314 9.4001 9.4788 9.5671 9.7817 9.9639 9.9900 10.2955 k =-0.1614 0.2294 0.8035 ( 10243 PWs) bands (ev): -7.8954 -7.8929 -7.8250 -7.8223 -7.8020 -7.8012 -7.7345 -7.7311 -2.7971 -2.7874 -2.7784 -2.7608 -1.2737 -1.2575 -1.1281 -1.0834 -1.0633 -1.0323 -0.4930 -0.4802 0.3127 0.3354 0.5789 0.5903 1.2072 1.2511 1.5717 1.6915 1.8734 1.8979 1.9951 2.0787 2.1349 2.1665 2.1866 2.3247 2.6674 2.7136 2.7976 2.8147 3.0071 3.0646 3.5364 3.5839 3.6174 3.7118 3.8565 3.8959 3.9478 3.9886 4.0425 4.0469 4.2068 4.2316 4.3170 4.3781 4.4127 4.4177 4.6105 4.6537 4.7459 4.7830 6.4397 6.4611 7.9989 8.0778 9.2327 9.3854 9.4567 9.5307 9.7288 9.9072 9.9899 10.3028 k =-0.1708 0.2428 0.7871 ( 10249 PWs) bands (ev): -7.9010 -7.8985 -7.8295 -7.8268 -7.8048 -7.8042 -7.7225 -7.7190 -2.7981 -2.7885 -2.7794 -2.7606 -1.2772 -1.2575 -1.1312 -1.0864 -1.0645 -1.0327 -0.4816 -0.4669 0.3453 0.3735 0.5777 0.5909 1.2189 1.2721 1.5567 1.7001 1.8610 1.8905 1.9846 2.0727 2.1358 2.1645 2.1950 2.3311 2.6529 2.7030 2.7833 2.8068 2.9981 3.0649 3.5366 3.5803 3.6199 3.7143 3.8505 3.8881 3.9332 3.9838 4.0264 4.0326 4.1930 4.2200 4.3153 4.3700 4.4013 4.4054 4.6005 4.6500 4.7427 4.7800 6.4708 6.4973 8.0517 8.1356 9.2183 9.3435 9.4382 9.5043 9.6792 9.8445 10.0078 10.3151 k =-0.1802 0.2561 0.7708 ( 10244 PWs) bands (ev): -7.9064 -7.9038 -7.8341 -7.8314 -7.8074 -7.8068 -7.7109 -7.7073 -2.7991 -2.7895 -2.7804 -2.7605 -1.2807 -1.2573 -1.1342 -1.0897 -1.0654 -1.0331 -0.4703 -0.4533 0.3792 0.4126 0.5779 0.5922 1.2310 1.2937 1.5417 1.7059 1.8467 1.8823 1.9735 2.0668 2.1358 2.1601 2.2066 2.3383 2.6386 2.6922 2.7680 2.7994 2.9881 3.0638 3.5375 3.5765 3.6222 3.7164 3.8440 3.8769 3.9216 3.9822 4.0089 4.0189 4.1806 4.2093 4.3116 4.3587 4.3859 4.4001 4.5914 4.6448 4.7408 4.7764 6.5025 6.5341 8.1095 8.1987 9.1847 9.2922 9.4082 9.4964 9.6330 9.7867 10.0303 10.3300 k =-0.1896 0.2695 0.7544 ( 10241 PWs) bands (ev): -7.9115 -7.9089 -7.8386 -7.8359 -7.8097 -7.8092 -7.6999 -7.6963 -2.8000 -2.7906 -2.7813 -2.7602 -1.2839 -1.2570 -1.1371 -1.0934 -1.0662 -1.0333 -0.4591 -0.4396 0.4141 0.4523 0.5799 0.5945 1.2431 1.3153 1.5272 1.7095 1.8310 1.8735 1.9618 2.0610 2.1337 2.1563 2.2189 2.3463 2.6248 2.6814 2.7523 2.7919 2.9773 3.0611 3.5390 3.5726 3.6241 3.7178 3.8368 3.8641 3.9125 3.9835 3.9907 4.0051 4.1699 4.1998 4.3058 4.3449 4.3719 4.3953 4.5839 4.6386 4.7401 4.7726 6.5344 6.5707 8.1716 8.2663 9.1353 9.2336 9.3823 9.4931 9.5903 9.7336 10.0549 10.3458 k =-0.1990 0.2828 0.7381 ( 10241 PWs) bands (ev): -7.9163 -7.9137 -7.8429 -7.8403 -7.8119 -7.8113 -7.6896 -7.6858 -2.8009 -2.7917 -2.7822 -2.7600 -1.2869 -1.2565 -1.1398 -1.0972 -1.0669 -1.0335 -0.4481 -0.4259 0.4494 0.4907 0.5848 0.5978 1.2546 1.3361 1.5137 1.7111 1.8139 1.8643 1.9495 2.0554 2.1290 2.1543 2.2311 2.3546 2.6117 2.6709 2.7365 2.7841 2.9658 3.0569 3.5412 3.5685 3.6255 3.7183 3.8287 3.8521 3.9052 3.9718 3.9873 3.9917 4.1612 4.1916 4.2980 4.3297 4.3593 4.3899 4.5781 4.6318 4.7398 4.7692 6.5658 6.6067 8.2371 8.3376 9.0782 9.1689 9.3642 9.4871 9.5520 9.6850 10.0802 10.3612 k =-0.2084 0.2962 0.7217 ( 10257 PWs) bands (ev): -7.9209 -7.9181 -7.8470 -7.8446 -7.8138 -7.8132 -7.6799 -7.6760 -2.8017 -2.7927 -2.7831 -2.7598 -1.2897 -1.2560 -1.1423 -1.1011 -1.0676 -1.0336 -0.4374 -0.4125 0.4847 0.5242 0.5944 0.6041 1.2650 1.3550 1.5020 1.7114 1.7960 1.8550 1.9367 2.0500 2.1224 2.1535 2.2428 2.3632 2.5995 2.6608 2.7213 2.7760 2.9540 3.0514 3.5437 3.5644 3.6263 3.7176 3.8197 3.8427 3.8990 3.9528 3.9791 3.9929 4.1544 4.1843 4.2885 4.3143 4.3475 4.3836 4.5740 4.6248 4.7393 4.7667 6.5963 6.6415 8.3049 8.4116 9.0194 9.1022 9.3506 9.4745 9.5209 9.6408 10.1048 10.3752 k =-0.2178 0.3096 0.7054 ( 10268 PWs) bands (ev): -7.9250 -7.9223 -7.8509 -7.8486 -7.8156 -7.8150 -7.6709 -7.6670 -2.8024 -2.7938 -2.7839 -2.7596 -1.2922 -1.2553 -1.1446 -1.1050 -1.0682 -1.0337 -0.4272 -0.3995 0.5188 0.5469 0.6040 0.6240 1.2739 1.3702 1.4936 1.7105 1.7778 1.8458 1.9234 2.0447 2.1149 2.1531 2.2535 2.3717 2.5881 2.6512 2.7070 2.7676 2.9419 3.0446 3.5459 3.5608 3.6265 3.7156 3.8106 3.8363 3.8930 3.9340 3.9685 3.9996 4.1495 4.1774 4.2771 4.3006 4.3359 4.3764 4.5717 4.6181 4.7380 4.7657 6.6254 6.6748 8.3737 8.4870 8.9629 9.0374 9.3390 9.4520 9.5005 9.6008 10.1279 10.3874 k =-0.2273 0.3229 0.6891 ( 10272 PWs) bands (ev): -7.9289 -7.9261 -7.8544 -7.8523 -7.8172 -7.8166 -7.6626 -7.6587 -2.8030 -2.7948 -2.7847 -2.7593 -1.2945 -1.2545 -1.1467 -1.1089 -1.0687 -1.0338 -0.4175 -0.3871 0.5484 0.5608 0.6129 0.6589 1.2807 1.3792 1.4905 1.7086 1.7604 1.8369 1.9096 2.0398 2.1072 2.1527 2.2630 2.3799 2.5773 2.6425 2.6940 2.7589 2.9300 3.0368 3.5464 3.5594 3.6260 3.7123 3.8023 3.8321 3.8865 3.9160 3.9608 4.0072 4.1461 4.1704 4.2635 4.2904 4.3240 4.3685 4.5708 4.6119 4.7356 4.7661 6.6529 6.7060 8.4418 8.5616 8.9116 8.9778 9.3282 9.4239 9.4872 9.5650 10.1486 10.3974 k =-0.2367 0.3363 0.6727 ( 10280 PWs) bands (ev): -7.9324 -7.9295 -7.8577 -7.8558 -7.8186 -7.8180 -7.6551 -7.6511 -2.8035 -2.7957 -2.7854 -2.7591 -1.2965 -1.2537 -1.1485 -1.1126 -1.0693 -1.0338 -0.4084 -0.3754 0.5622 0.5786 0.6272 0.6999 1.2846 1.3805 1.4937 1.7049 1.7452 1.8285 1.8957 2.0353 2.0997 2.1521 2.2709 2.3876 2.5670 2.6350 2.6827 2.7499 2.9185 3.0284 3.5439 3.5613 3.6248 3.7083 3.7953 3.8294 3.8792 3.8994 3.9564 4.0153 4.1440 4.1627 4.2486 4.2837 4.3118 4.3604 4.5710 4.6063 4.7325 4.7676 6.6782 6.7348 8.5061 8.6313 8.8683 8.9283 9.3179 9.3957 9.4764 9.5335 10.1662 10.4053 k =-0.2461 0.3497 0.6564 ( 10280 PWs) bands (ev): -7.9354 -7.9326 -7.8605 -7.8588 -7.8199 -7.8193 -7.6484 -7.6444 -2.8039 -2.7966 -2.7861 -2.7589 -1.2983 -1.2529 -1.1500 -1.1162 -1.0698 -1.0338 -0.4001 -0.3646 0.5676 0.5929 0.6498 0.7430 1.2853 1.3752 1.5021 1.6983 1.7346 1.8207 1.8818 2.0313 2.0926 2.1514 2.2774 2.3944 2.5570 2.6291 2.6731 2.7408 2.9077 3.0195 3.5398 3.5653 3.6228 3.7042 3.7892 3.8277 3.8711 3.8848 3.9554 4.0238 4.1428 4.1542 4.2339 4.2799 4.2992 4.3522 4.5720 4.6013 4.7292 4.7696 6.7012 6.7609 8.5615 8.6862 8.8371 8.8995 9.3078 9.3699 9.4663 9.5065 10.1800 10.4109 k =-0.2555 0.3630 0.6400 ( 10290 PWs) bands (ev): -7.9382 -7.9353 -7.8631 -7.8616 -7.8211 -7.8204 -7.6426 -7.6385 -2.8043 -2.7975 -2.7866 -2.7587 -1.2999 -1.2521 -1.1513 -1.1195 -1.0702 -1.0339 -0.3927 -0.3549 0.5713 0.6013 0.6771 0.7862 1.2822 1.3658 1.5128 1.6889 1.7291 1.8139 1.8683 2.0279 2.0862 2.1506 2.2823 2.4004 2.5472 2.6250 2.6653 2.7318 2.8980 3.0106 3.5354 3.5700 3.6201 3.7008 3.7833 3.8266 3.8626 3.8729 3.9570 4.0324 4.1419 4.1453 4.2202 4.2783 4.2867 4.3444 4.5733 4.5971 4.7260 4.7718 6.7215 6.7839 8.5995 8.7086 8.8254 8.9079 9.2981 9.3477 9.4564 9.4841 10.1892 10.4118 k =-0.2649 0.3764 0.6237 ( 10291 PWs) bands (ev): -7.9405 -7.9376 -7.8652 -7.8639 -7.8220 -7.8214 -7.6376 -7.6335 -2.8046 -2.7982 -2.7871 -2.7586 -1.3012 -1.2514 -1.1523 -1.1225 -1.0706 -1.0339 -0.3861 -0.3464 0.5742 0.6067 0.7043 0.8284 1.2753 1.3547 1.5233 1.6793 1.7270 1.8084 1.8554 2.0253 2.0804 2.1497 2.2858 2.4055 2.5377 2.6230 2.6589 2.7232 2.8894 3.0021 3.5313 3.5749 3.6169 3.6983 3.7773 3.8259 3.8541 3.8642 3.9605 4.0409 4.1348 4.1421 4.2087 4.2738 4.2789 4.3372 4.5748 4.5935 4.7231 4.7739 6.7390 6.8038 8.6142 8.6972 8.8411 8.9502 9.2884 9.3303 9.4466 9.4665 10.1928 10.3907 k =-0.2743 0.3898 0.6073 ( 10281 PWs) bands (ev): -7.9424 -7.9394 -7.8669 -7.8659 -7.8228 -7.8222 -7.6335 -7.6293 -2.8047 -2.7988 -2.7876 -2.7584 -1.3022 -1.2507 -1.1531 -1.1251 -1.0710 -1.0339 -0.3807 -0.3393 0.5765 0.6108 0.7292 0.8681 1.2647 1.3436 1.5321 1.6716 1.7262 1.8044 1.8435 2.0234 2.0754 2.1489 2.2883 2.4095 2.5289 2.6229 2.6537 2.7154 2.8823 2.9944 3.5276 3.5798 3.6134 3.6970 3.7712 3.8254 3.8463 3.8581 3.9651 4.0492 4.1252 4.1410 4.1999 4.2621 4.2799 4.3308 4.5763 4.5906 4.7206 4.7758 6.7535 6.8202 8.6121 8.6731 8.8751 9.0037 9.2789 9.3187 9.4369 9.4536 10.1899 10.3564 k =-0.2837 0.4031 0.5910 ( 10279 PWs) bands (ev): -7.9439 -7.9409 -7.8683 -7.8674 -7.8234 -7.8228 -7.6303 -7.6261 -2.8049 -2.7994 -2.7879 -2.7583 -1.3030 -1.2502 -1.1536 -1.1273 -1.0712 -1.0339 -0.3763 -0.3336 0.5783 0.6137 0.7502 0.9039 1.2515 1.3339 1.5385 1.6666 1.7258 1.8023 1.8330 2.0222 2.0712 2.1482 2.2899 2.4125 2.5212 2.6243 2.6492 2.7087 2.8766 2.9879 3.5247 3.5845 3.6098 3.6965 3.7652 3.8251 3.8399 3.8542 3.9700 4.0569 4.1162 4.1392 4.1945 4.2514 4.2817 4.3254 4.5776 4.5884 4.7186 4.7774 6.7648 6.8331 8.6039 8.6491 8.9129 9.0538 9.2699 9.3132 9.4285 9.4442 10.1802 10.3256 k =-0.2931 0.4165 0.5747 ( 10281 PWs) bands (ev): -7.9449 -7.9420 -7.8692 -7.8686 -7.8239 -7.8232 -7.6280 -7.6238 -2.8049 -2.7998 -2.7881 -2.7582 -1.3036 -1.2498 -1.1540 -1.1289 -1.0714 -1.0339 -0.3732 -0.3294 0.5797 0.6159 0.7662 0.9334 1.2381 1.3262 1.5426 1.6640 1.7253 1.8023 1.8239 2.0216 2.0680 2.1477 2.2909 2.4145 2.5153 2.6266 2.6453 2.7036 2.8725 2.9830 3.5225 3.5887 3.6064 3.6967 3.7602 3.8252 3.8350 3.8518 3.9744 4.0636 4.1084 4.1368 4.1922 4.2423 4.2835 4.3212 4.5786 4.5867 4.7171 4.7785 6.7729 6.8424 8.5963 8.6295 8.9453 9.0930 9.2624 9.3128 9.4224 9.4375 10.1661 10.3029 k =-0.3025 0.4299 0.5583 ( 10282 PWs) bands (ev): -7.9456 -7.9426 -7.8697 -7.8693 -7.8241 -7.8235 -7.6266 -7.6224 -2.8050 -2.8000 -2.7883 -2.7582 -1.3039 -1.2495 -1.1541 -1.1299 -1.0715 -1.0340 -0.3713 -0.3269 0.5805 0.6171 0.7762 0.9533 1.2276 1.3214 1.5448 1.6630 1.7249 1.8041 1.8167 2.0214 2.0660 2.1474 2.2914 2.4157 2.5115 2.6293 2.6420 2.7004 2.8700 2.9799 3.5211 3.5922 3.6034 3.6971 3.7567 3.8256 3.8316 3.8505 3.9774 4.0685 4.1028 4.1347 4.1919 4.2360 4.2849 4.3185 4.5793 4.5857 4.7162 4.7792 6.7778 6.8480 8.5917 8.6166 8.9668 9.1172 9.2575 9.3149 9.4190 9.4331 10.1536 10.2893 k =-0.3119 0.4432 0.5420 ( 10278 PWs) bands (ev): -7.9458 -7.9428 -7.8699 -7.8695 -7.8242 -7.8236 -7.6261 -7.6219 -2.8050 -2.8001 -2.7883 -2.7582 -1.3040 -1.2494 -1.1542 -1.1302 -1.0715 -1.0340 -0.3706 -0.3261 0.5808 0.6175 0.7796 0.9605 1.2236 1.3197 1.5455 1.6627 1.7247 1.8060 1.8130 2.0214 2.0653 2.1473 2.2915 2.4161 2.5102 2.6307 2.6405 2.6993 2.8692 2.9789 3.5207 3.5937 3.6020 3.6973 3.7555 3.8260 3.8303 3.8501 3.9785 4.0704 4.1007 4.1338 4.1921 4.2337 4.2854 4.3176 4.5795 4.5854 4.7159 4.7795 6.7795 6.8498 8.5903 8.6120 8.9743 9.1253 9.2558 9.3162 9.4179 9.4316 10.1486 10.2847 k =-0.3119 0.4432 0.5420 ( 10278 PWs) bands (ev): -7.9458 -7.9428 -7.8699 -7.8695 -7.8242 -7.8236 -7.6261 -7.6219 -2.8050 -2.8001 -2.7883 -2.7582 -1.3040 -1.2494 -1.1542 -1.1302 -1.0715 -1.0340 -0.3706 -0.3261 0.5808 0.6175 0.7796 0.9605 1.2236 1.3197 1.5455 1.6627 1.7247 1.8060 1.8130 2.0214 2.0653 2.1473 2.2915 2.4161 2.5102 2.6307 2.6405 2.6993 2.8692 2.9789 3.5207 3.5937 3.6020 3.6973 3.7555 3.8260 3.8303 3.8501 3.9785 4.0704 4.1007 4.1338 4.1921 4.2337 4.2854 4.3176 4.5795 4.5854 4.7159 4.7795 6.7795 6.8498 8.5903 8.6120 8.9743 9.1253 9.2558 9.3162 9.4179 9.4316 10.1486 10.2847 k =-0.3024 0.4298 0.5255 ( 10262 PWs) bands (ev): -7.9335 -7.9305 -7.8868 -7.8864 -7.8190 -7.8183 -7.6265 -7.6222 -2.8031 -2.7984 -2.7888 -2.7586 -1.3008 -1.2495 -1.1479 -1.1296 -1.0705 -1.0349 -0.3624 -0.3171 0.6069 0.6517 0.7410 0.9247 1.2107 1.2898 1.5489 1.6569 1.7002 1.8069 1.8071 2.0193 2.0628 2.1329 2.2928 2.4304 2.4890 2.6307 2.6543 2.6733 2.8493 2.9613 3.5251 3.5863 3.6029 3.6946 3.7640 3.8327 3.8339 3.8558 4.0003 4.0904 4.1008 4.1570 4.2151 4.2158 4.2784 4.3412 4.5728 4.5837 4.7015 4.7666 6.8056 6.8706 8.6233 8.6502 8.9977 9.1438 9.2877 9.3971 9.4733 9.5050 10.2140 10.3449 k =-0.2930 0.4164 0.5091 ( 10272 PWs) bands (ev): -7.9211 -7.9178 -7.9059 -7.9054 -7.8117 -7.8109 -7.6269 -7.6226 -2.8014 -2.7967 -2.7890 -2.7591 -1.2972 -1.2495 -1.1417 -1.1290 -1.0697 -1.0359 -0.3553 -0.3095 0.6326 0.6870 0.7040 0.8896 1.1982 1.2600 1.5526 1.6513 1.6762 1.8028 1.8083 2.0164 2.0601 2.1173 2.2952 2.4398 2.4762 2.6317 2.6467 2.6710 2.8297 2.9435 3.5298 3.5791 3.6042 3.6917 3.7719 3.8371 3.8391 3.8606 4.0164 4.0945 4.1110 4.1805 4.2037 4.2347 4.2863 4.3665 4.5634 4.5797 4.6850 4.7514 6.8297 6.8886 8.6560 8.6885 9.0201 9.1587 9.3115 9.4628 9.5209 9.5905 10.2562 10.3686 k =-0.2835 0.4029 0.4927 ( 10266 PWs) bands (ev): -7.9260 -7.9260 -7.9077 -7.9049 -7.8035 -7.8027 -7.6273 -7.6229 -2.7998 -2.7950 -2.7888 -2.7596 -1.2932 -1.2493 -1.1358 -1.1283 -1.0692 -1.0370 -0.3495 -0.3032 0.6523 0.6740 0.7233 0.8552 1.1864 1.2310 1.5551 1.6461 1.6540 1.7998 1.8100 2.0110 2.0578 2.1030 2.2986 2.4380 2.4782 2.6243 2.6338 2.6858 2.8101 2.9253 3.5348 3.5721 3.6056 3.6887 3.7791 3.8398 3.8451 3.8645 4.0234 4.0824 4.1327 4.2029 4.2042 4.2481 4.3095 4.3932 4.5513 4.5732 4.6664 4.7340 6.8514 6.9036 8.6879 8.7264 9.0418 9.1710 9.3264 9.4966 9.5874 9.6720 10.2746 10.3634 k =-0.2741 0.3895 0.4763 ( 10274 PWs) bands (ev): -7.9465 -7.9463 -7.8947 -7.8918 -7.7949 -7.7941 -7.6277 -7.6233 -2.7985 -2.7933 -2.7881 -2.7602 -1.2890 -1.2490 -1.1301 -1.1275 -1.0690 -1.0382 -0.3451 -0.2985 0.6286 0.6884 0.7604 0.8221 1.1757 1.2033 1.5536 1.6359 1.6415 1.7976 1.8118 2.0000 2.0567 2.0940 2.3031 2.4300 2.4893 2.6033 2.6370 2.7011 2.7907 2.9066 3.5399 3.5654 3.6073 3.6855 3.7856 3.8422 3.8508 3.8673 4.0202 4.0664 4.1558 4.2136 4.2274 4.2621 4.3409 4.4212 4.5363 4.5642 4.6460 4.7142 6.8704 6.9152 8.7188 8.7636 9.0631 9.1814 9.3319 9.5094 9.6583 9.7469 10.2749 10.3427 k =-0.2646 0.3761 0.4599 ( 10265 PWs) bands (ev): -7.9672 -7.9670 -7.8815 -7.8786 -7.7860 -7.7852 -7.6281 -7.6237 -2.7975 -2.7916 -2.7871 -2.7607 -1.2844 -1.2485 -1.1265 -1.1248 -1.0690 -1.0394 -0.3420 -0.2953 0.5957 0.7129 0.7851 0.8032 1.1663 1.1772 1.5445 1.6250 1.6374 1.7957 1.8137 1.9819 2.0573 2.0932 2.3086 2.4221 2.5023 2.5839 2.6416 2.7167 2.7712 2.8876 3.5451 3.5590 3.6092 3.6824 3.7912 3.8441 3.8562 3.8690 4.0092 4.0482 4.1794 4.2341 4.2485 4.2806 4.3761 4.4501 4.5186 4.5527 4.6241 4.6923 6.8863 6.9233 8.7484 8.8000 9.0842 9.1903 9.3280 9.5088 9.7227 9.8123 10.2638 10.3151 k =-0.2552 0.3626 0.4434 ( 10261 PWs) bands (ev): -7.9880 -7.9878 -7.8682 -7.8652 -7.7770 -7.7762 -7.6285 -7.6242 -2.7967 -2.7900 -2.7856 -2.7612 -1.2796 -1.2478 -1.1256 -1.1197 -1.0694 -1.0406 -0.3404 -0.2937 0.5637 0.7372 0.7564 0.8396 1.1531 1.1589 1.5270 1.6219 1.6340 1.7937 1.8152 1.9579 2.0606 2.1003 2.3152 2.4154 2.5151 2.5659 2.6478 2.7324 2.7517 2.8680 3.5493 3.5540 3.6112 3.6792 3.7961 3.8456 3.8612 3.8692 3.9941 4.0292 4.2028 4.2616 4.2672 4.3045 4.4137 4.4787 4.4981 4.5388 4.6019 4.6682 6.8987 6.9274 8.7764 8.8351 9.1046 9.1982 9.3154 9.4967 9.7753 9.8644 10.2470 10.2847 k =-0.2457 0.3492 0.4270 ( 10261 PWs) bands (ev): -8.0087 -8.0085 -7.8547 -7.8518 -7.7679 -7.7671 -7.6289 -7.6246 -2.7960 -2.7884 -2.7839 -2.7617 -1.2745 -1.2470 -1.1245 -1.1151 -1.0701 -1.0419 -0.3404 -0.2937 0.5332 0.7262 0.7608 0.8794 1.1314 1.1536 1.5039 1.6236 1.6311 1.7913 1.8160 1.9307 2.0673 2.1138 2.3227 2.4097 2.5270 2.5490 2.6558 2.7322 2.7481 2.8478 3.5458 3.5571 3.6134 3.6761 3.8000 3.8465 3.8658 3.8679 3.9772 4.0103 4.2260 4.2846 4.2938 4.3322 4.4527 4.4752 4.5025 4.5235 4.5832 4.6423 6.9072 6.9273 8.8026 8.8686 9.1221 9.2050 9.2970 9.4747 9.8119 9.8982 10.2284 10.2540 k =-0.2363 0.3358 0.4106 ( 10267 PWs) bands (ev): -8.0293 -8.0291 -7.8412 -7.8384 -7.7589 -7.7580 -7.6293 -7.6251 -2.7953 -2.7868 -2.7821 -2.7622 -1.2692 -1.2461 -1.1234 -1.1108 -1.0712 -1.0433 -0.3419 -0.2953 0.5043 0.6970 0.7834 0.9200 1.1123 1.1507 1.4779 1.6272 1.6287 1.7882 1.8159 1.9024 2.0776 2.1324 2.3314 2.4045 2.5331 2.5377 2.6658 2.7127 2.7639 2.8271 3.5402 3.5626 3.6156 3.6730 3.8029 3.8468 3.8649 3.8700 3.9604 3.9922 4.2489 4.3018 4.3288 4.3624 4.4494 4.4933 4.5005 4.5144 4.5819 4.6146 6.9114 6.9229 8.8269 8.9000 9.1309 9.2095 9.2799 9.4456 9.8285 9.9071 10.2112 10.2244 k =-0.2268 0.3223 0.3942 ( 10273 PWs) bands (ev): -8.0497 -8.0495 -7.8278 -7.8250 -7.7498 -7.7489 -7.6297 -7.6257 -2.7947 -2.7854 -2.7802 -2.7625 -1.2637 -1.2450 -1.1222 -1.1070 -1.0726 -1.0446 -0.3448 -0.2984 0.4772 0.6691 0.8049 0.9609 1.0962 1.1505 1.4507 1.6266 1.6311 1.7839 1.8148 1.8748 2.0919 2.1553 2.3412 2.3995 2.5179 2.5472 2.6770 2.6937 2.7791 2.8062 3.5348 3.5682 3.6180 3.6700 3.8048 3.8464 3.8599 3.8736 3.9445 3.9753 4.2718 4.3193 4.3657 4.3942 4.4217 4.4808 4.4970 4.5343 4.5857 4.6049 6.9109 6.9137 8.8490 8.9284 9.1203 9.2093 9.2760 9.4141 9.8224 9.8856 10.1969 10.1977 k =-0.2174 0.3089 0.3777 ( 10273 PWs) bands (ev): -8.0697 -8.0696 -7.8144 -7.8117 -7.7408 -7.7399 -7.6302 -7.6262 -2.7940 -2.7841 -2.7783 -2.7628 -1.2581 -1.2438 -1.1210 -1.1036 -1.0742 -1.0460 -0.3493 -0.3030 0.4519 0.6424 0.8251 1.0014 1.0840 1.1530 1.4231 1.6247 1.6349 1.7779 1.8128 1.8493 2.1096 2.1815 2.3521 2.3941 2.5034 2.5555 2.6715 2.6934 2.7807 2.7983 3.5295 3.5740 3.6204 3.6671 3.8056 3.8449 3.8529 3.8766 3.9304 3.9600 4.2941 4.3373 4.3920 4.4033 4.4274 4.4583 4.4722 4.5535 4.5784 4.6378 6.8998 6.9053 8.8674 8.9519 9.0877 9.1995 9.2910 9.3883 9.7933 9.8337 10.1724 10.1872 k =-0.2079 0.2955 0.3613 ( 10287 PWs) bands (ev): -8.0895 -8.0893 -7.8011 -7.7986 -7.7320 -7.7311 -7.6306 -7.6267 -2.7933 -2.7830 -2.7764 -2.7629 -1.2523 -1.2425 -1.1199 -1.1006 -1.0762 -1.0474 -0.3551 -0.3090 0.4284 0.6169 0.8443 1.0374 1.0795 1.1579 1.3955 1.6228 1.6380 1.7694 1.8102 1.8279 2.1302 2.2105 2.3645 2.3882 2.4894 2.5628 2.6522 2.7086 2.7589 2.8129 3.5246 3.5797 3.6229 3.6644 3.8051 3.8403 3.8460 3.8784 3.9181 3.9468 4.3150 4.3543 4.3619 4.4322 4.4351 4.4549 4.4615 4.5236 4.6204 4.6742 6.8808 6.8944 8.8778 8.9665 9.0447 9.1775 9.3189 9.3762 9.7436 9.7582 10.1511 10.1777 k =-0.1985 0.2821 0.3449 ( 10291 PWs) bands (ev): -8.1088 -8.1086 -7.7880 -7.7856 -7.7232 -7.7224 -7.6309 -7.6273 -2.7924 -2.7821 -2.7746 -2.7628 -1.2465 -1.2411 -1.1187 -1.0980 -1.0783 -1.0488 -0.3621 -0.3163 0.4068 0.5928 0.8627 1.0512 1.1003 1.1650 1.3685 1.6205 1.6403 1.7580 1.8073 1.8119 2.1526 2.2413 2.3784 2.3815 2.4760 2.5694 2.6328 2.7257 2.7351 2.8287 3.5199 3.5854 3.6254 3.6618 3.8033 3.8299 3.8421 3.8790 3.9076 3.9362 4.3271 4.3309 4.3741 4.4045 4.4238 4.4858 4.4908 4.4991 4.6637 4.7123 6.8568 6.8780 8.8680 8.9631 9.0106 9.1521 9.3540 9.3791 9.6677 9.6784 10.1333 10.1685 k =-0.1890 0.2686 0.3285 ( 10293 PWs) bands (ev): -8.1276 -8.1274 -7.7751 -7.7729 -7.7147 -7.7138 -7.6313 -7.6279 -2.7916 -2.7815 -2.7729 -2.7626 -1.2406 -1.2395 -1.1177 -1.0959 -1.0807 -1.0502 -0.3703 -0.3248 0.3871 0.5700 0.8804 1.0500 1.1391 1.1738 1.3425 1.6173 1.6420 1.7447 1.8013 1.8044 2.1756 2.2728 2.3738 2.3938 2.4635 2.5747 2.6149 2.7105 2.7439 2.8445 3.5155 3.5910 3.6278 3.6593 3.8001 3.8172 3.8381 3.8778 3.8983 3.9285 4.2931 4.3341 4.3742 4.3893 4.4189 4.4657 4.5252 4.5330 4.7073 4.7516 6.8278 6.8558 8.8247 8.9311 9.0023 9.1384 9.3920 9.3939 9.5691 9.6046 10.1192 10.1602 k =-0.1796 0.2552 0.3120 ( 10297 PWs) bands (ev): -8.1458 -8.1456 -7.7625 -7.7605 -7.7064 -7.7055 -7.6317 -7.6284 -2.7907 -2.7811 -2.7712 -2.7620 -1.2378 -1.2347 -1.1168 -1.0942 -1.0832 -1.0517 -0.3795 -0.3343 0.3693 0.5484 0.8978 1.0485 1.1809 1.1838 1.3177 1.6128 1.6428 1.7322 1.7944 1.8019 2.1977 2.3037 2.3649 2.4100 2.4535 2.5743 2.6041 2.6851 2.7631 2.8604 3.5115 3.5966 3.6302 3.6570 3.7956 3.8037 3.8332 3.8749 3.8897 3.9237 4.2582 4.3205 4.3436 4.3918 4.4307 4.4523 4.5654 4.5695 4.7511 4.7917 6.7937 6.8280 8.7577 8.8723 9.0118 9.1374 9.4080 9.4369 9.4680 9.5319 10.1090 10.1537 k =-0.1701 0.2418 0.2956 ( 10305 PWs) bands (ev): -8.1634 -8.1633 -7.7502 -7.7484 -7.6983 -7.6974 -7.6320 -7.6290 -2.7897 -2.7810 -2.7696 -2.7613 -1.2360 -1.2288 -1.1160 -1.0928 -1.0858 -1.0532 -0.3895 -0.3446 0.3533 0.5281 0.9153 1.0489 1.1943 1.2227 1.2949 1.6066 1.6431 1.7228 1.7897 1.7999 2.2172 2.3317 2.3553 2.4209 2.4524 2.5626 2.6076 2.6593 2.7828 2.8762 3.5078 3.6020 3.6324 3.6549 3.7899 3.7899 3.8273 3.8706 3.8812 3.9211 4.2229 4.2973 4.3136 4.3726 4.4523 4.4618 4.6059 4.6066 4.7948 4.8321 6.7548 6.7944 8.6799 8.7976 9.0261 9.1362 9.3686 9.4075 9.4830 9.4866 10.1029 10.1493 k =-0.1607 0.2283 0.2792 ( 10297 PWs) bands (ev): -8.1804 -8.1803 -7.7383 -7.7367 -7.6904 -7.6896 -7.6323 -7.6296 -2.7888 -2.7810 -2.7682 -2.7605 -1.2341 -1.2229 -1.1155 -1.0919 -1.0884 -1.0547 -0.4001 -0.3556 0.3391 0.5090 0.9331 1.0515 1.2047 1.2583 1.2800 1.5988 1.6428 1.7174 1.7864 1.7986 2.2327 2.3409 2.3583 2.4188 2.4681 2.5468 2.6201 2.6340 2.8030 2.8919 3.5046 3.6073 3.6345 3.6529 3.7761 3.7832 3.8203 3.8656 3.8726 3.9199 4.1875 4.2699 4.2852 4.3444 4.4782 4.4820 4.6441 4.6465 4.8382 4.8727 6.7113 6.7554 8.5973 8.7146 9.0352 9.1189 9.2794 9.3760 9.4950 9.5306 10.1011 10.1470 k =-0.1512 0.2149 0.2628 ( 10291 PWs) bands (ev): -8.1967 -8.1966 -7.7267 -7.7254 -7.6829 -7.6821 -7.6325 -7.6301 -2.7878 -2.7813 -2.7668 -2.7595 -1.2320 -1.2171 -1.1152 -1.0912 -1.0910 -1.0563 -0.4112 -0.3672 0.3266 0.4911 0.9513 1.0562 1.2146 1.2496 1.3110 1.5900 1.6421 1.7161 1.7843 1.7980 2.2428 2.3288 2.3737 2.4130 2.4900 2.5325 2.6113 2.6385 2.8232 2.9074 3.5017 3.6124 3.6363 3.6512 3.7627 3.7757 3.8123 3.8602 3.8637 3.9192 4.1524 4.2404 4.2590 4.3146 4.5059 4.5062 4.6821 4.6873 4.8812 4.9131 6.6634 6.7111 8.5125 8.6277 9.0220 9.0735 9.2170 9.3580 9.5223 9.5795 10.1042 10.1462 k =-0.1418 0.2015 0.2464 ( 10287 PWs) bands (ev): -8.2122 -8.2121 -7.7157 -7.7146 -7.6757 -7.6750 -7.6326 -7.6306 -2.7869 -2.7816 -2.7655 -2.7585 -1.2299 -1.2114 -1.1153 -1.0933 -1.0909 -1.0580 -0.4224 -0.3792 0.3158 0.4742 0.9702 1.0629 1.2234 1.2328 1.3516 1.5811 1.6411 1.7184 1.7830 1.7982 2.2467 2.3145 2.3799 2.4084 2.5062 2.5221 2.5984 2.6627 2.8435 2.9226 3.4993 3.6174 3.6377 3.6499 3.7498 3.7677 3.8033 3.8544 3.8546 3.9186 4.1180 4.2101 4.2352 4.2850 4.5318 4.5354 4.7204 4.7282 4.9234 4.9531 6.6115 6.6620 8.4274 8.5392 8.9695 9.0047 9.1985 9.3630 9.5536 9.6286 10.1127 10.1460 k =-0.1323 0.1880 0.2299 ( 10285 PWs) bands (ev): -8.2269 -8.2268 -7.7051 -7.7044 -7.6688 -7.6681 -7.6327 -7.6311 -2.7860 -2.7820 -2.7643 -2.7574 -1.2276 -1.2059 -1.1158 -1.0953 -1.0909 -1.0598 -0.4337 -0.3914 0.3065 0.4583 0.9897 1.0713 1.2178 1.2310 1.3919 1.5729 1.6401 1.7234 1.7826 1.7990 2.2444 2.2988 2.3755 2.4061 2.5035 2.5163 2.6074 2.6922 2.8636 2.9376 3.4974 3.6221 3.6383 3.6491 3.7373 3.7594 3.7938 3.8445 3.8487 3.9175 4.0846 4.1800 4.2135 4.2567 4.5590 4.5655 4.7591 4.7693 4.9647 4.9923 6.5561 6.6085 8.3432 8.4507 8.8919 8.9247 9.2102 9.3818 9.5851 9.6771 10.1273 10.1449 k =-0.1229 0.1746 0.2135 ( 10281 PWs) bands (ev): -8.2408 -8.2407 -7.6951 -7.6949 -7.6623 -7.6617 -7.6327 -7.6315 -2.7852 -2.7824 -2.7631 -2.7564 -1.2252 -1.2006 -1.1166 -1.0970 -1.0911 -1.0616 -0.4449 -0.4037 0.2988 0.4433 1.0098 1.0811 1.2054 1.2371 1.4312 1.5660 1.6391 1.7305 1.7829 1.8006 2.2366 2.2818 2.3622 2.4050 2.4849 2.5140 2.6352 2.7260 2.8833 2.9522 3.4960 3.6267 3.6378 3.6491 3.7253 3.7509 3.7838 3.8342 3.8425 3.9157 4.0526 4.1504 4.1942 4.2301 4.5872 4.5960 4.7982 4.8106 5.0048 5.0305 6.4975 6.5510 8.2610 8.3637 8.8076 8.8413 9.2339 9.4073 9.6149 9.7236 10.1415 10.1487 k =-0.1134 0.1612 0.1971 ( 10283 PWs) bands (ev): -8.2538 -8.2537 -7.6860 -7.6858 -7.6562 -7.6557 -7.6326 -7.6318 -2.7844 -2.7828 -2.7621 -2.7554 -1.2227 -1.1956 -1.1177 -1.0983 -1.0916 -1.0636 -0.4557 -0.4160 0.2926 0.4291 1.0303 1.0917 1.1959 1.2419 1.4692 1.5607 1.6384 1.7389 1.7840 1.8027 2.2245 2.2638 2.3429 2.4020 2.4632 2.5136 2.6710 2.7627 2.9025 2.9664 3.4952 3.6310 3.6362 3.6498 3.7137 3.7424 3.7738 3.8236 3.8357 3.9128 4.0225 4.1218 4.1770 4.2057 4.6159 4.6266 4.8377 4.8523 5.0435 5.0674 6.4362 6.4903 8.1816 8.2789 8.7240 8.7585 9.2624 9.4361 9.6417 9.7669 10.1353 10.1771 k =-0.1040 0.1477 0.1807 ( 10285 PWs) bands (ev): -8.2659 -8.2658 -7.6778 -7.6771 -7.6505 -7.6501 -7.6323 -7.6320 -2.7838 -2.7832 -2.7610 -2.7544 -1.2201 -1.1910 -1.1189 -1.0993 -1.0923 -1.0657 -0.4661 -0.4280 0.2877 0.4156 1.0509 1.1025 1.1897 1.2455 1.5055 1.5572 1.6380 1.7480 1.7858 1.8052 2.2094 2.2451 2.3198 2.3904 2.4485 2.5138 2.7098 2.8009 2.9212 2.9800 3.4949 3.6336 3.6351 3.6510 3.7025 3.7340 3.7641 3.8128 3.8283 3.9085 3.9948 4.0945 4.1621 4.1837 4.6449 4.6568 4.8778 4.8946 5.0805 5.1026 6.3728 6.4267 8.1059 8.1974 8.6439 8.6785 9.2928 9.4661 9.6648 9.8057 10.1274 10.2122 k =-0.0945 0.1343 0.1642 ( 10287 PWs) bands (ev): -8.2770 -8.2769 -7.6705 -7.6692 -7.6452 -7.6450 -7.6320 -7.6318 -2.7836 -2.7833 -2.7600 -2.7536 -1.2175 -1.1869 -1.1200 -1.1001 -1.0932 -1.0679 -0.4758 -0.4397 0.2842 0.4028 1.0713 1.1126 1.1873 1.2482 1.5400 1.5557 1.6379 1.7571 1.7886 1.8082 2.1925 2.2259 2.2945 2.3674 2.4448 2.5138 2.7497 2.8394 2.9391 2.9929 3.4953 3.6301 3.6389 3.6524 3.6917 3.7255 3.7549 3.8023 3.8200 3.9024 3.9703 4.0685 4.1491 4.1643 4.6737 4.6862 4.9187 4.9375 5.1155 5.1360 6.3078 6.3610 8.0347 8.1199 8.5688 8.6026 9.3238 9.4957 9.6842 9.8391 10.1190 10.2528 k =-0.0851 0.1209 0.1478 ( 10287 PWs) bands (ev): -8.2872 -8.2871 -7.6641 -7.6621 -7.6405 -7.6403 -7.6317 -7.6310 -2.7839 -2.7829 -2.7590 -2.7529 -1.2147 -1.1836 -1.1208 -1.1006 -1.0941 -1.0702 -0.4847 -0.4510 0.2818 0.3906 1.0910 1.1213 1.1893 1.2503 1.5560 1.5725 1.6381 1.7653 1.7926 1.8114 2.1745 2.2067 2.2680 2.3383 2.4473 2.5136 2.7896 2.8769 2.9564 3.0052 3.4964 3.6256 3.6425 3.6538 3.6817 3.7172 3.7463 3.7925 3.8108 3.8939 3.9498 4.0442 4.1381 4.1476 4.7018 4.7144 4.9604 4.9813 5.1484 5.1670 6.2419 6.2939 7.9686 8.0470 8.4994 8.5318 9.3545 9.5236 9.7007 9.8667 10.1115 10.2959 k =-0.0756 0.1074 0.1314 ( 10285 PWs) bands (ev): -8.2963 -8.2963 -7.6587 -7.6561 -7.6368 -7.6360 -7.6308 -7.6299 -2.7841 -2.7826 -2.7581 -2.7523 -1.2119 -1.1810 -1.1210 -1.1010 -1.0952 -1.0727 -0.4927 -0.4617 0.2807 0.3790 1.1093 1.1280 1.1955 1.2523 1.5582 1.6026 1.6387 1.7719 1.7979 1.8148 2.1564 2.1879 2.2412 2.3071 2.4520 2.5129 2.8285 2.9122 2.9731 3.0167 3.4982 3.6200 3.6459 3.6552 3.6727 3.7091 3.7381 3.7841 3.8004 3.8828 3.9339 4.0216 4.1286 4.1337 4.7287 4.7408 5.0031 5.0258 5.1788 5.1956 6.1756 6.2260 7.9082 7.9794 8.4364 8.4666 9.3844 9.5482 9.7157 9.8880 10.1061 10.3354 k =-0.0662 0.0940 0.1150 ( 10283 PWs) bands (ev): -8.3045 -8.3044 -7.6544 -7.6512 -7.6340 -7.6321 -7.6289 -7.6284 -2.7843 -2.7825 -2.7571 -2.7518 -1.2089 -1.1793 -1.1206 -1.1013 -1.0964 -1.0753 -0.4997 -0.4716 0.2806 0.3679 1.1256 1.1331 1.2049 1.2545 1.5621 1.6295 1.6404 1.7768 1.8041 1.8183 2.1387 2.1701 2.2146 2.2759 2.4575 2.5118 2.8658 2.9438 2.9898 3.0273 3.5007 3.6129 3.6490 3.6561 3.6658 3.7011 3.7299 3.7778 3.7888 3.8699 3.9225 4.0009 4.1207 4.1223 4.7538 4.7651 5.0468 5.0710 5.2065 5.2215 6.1100 6.1582 7.8542 7.9177 8.3801 8.4077 9.4129 9.5682 9.7308 9.9031 10.1040 10.3408 k =-0.0567 0.0806 0.0985 ( 10295 PWs) bands (ev): -8.3116 -8.3115 -7.6511 -7.6476 -7.6317 -7.6290 -7.6263 -7.6263 -2.7844 -2.7824 -2.7562 -2.7514 -1.2060 -1.1786 -1.1195 -1.1014 -1.0976 -1.0781 -0.5056 -0.4809 0.2816 0.3574 1.1373 1.1392 1.2162 1.2572 1.5676 1.6381 1.6577 1.7801 1.8105 1.8218 2.1223 2.1538 2.1890 2.2456 2.4632 2.5103 2.9007 2.9697 3.0076 3.0372 3.5041 3.6046 3.6519 3.6547 3.6630 3.6934 3.7216 3.7739 3.7760 3.8564 3.9143 3.9820 4.1133 4.1140 4.7767 4.7867 5.0911 5.1163 5.2313 5.2443 6.0459 6.0914 7.8069 7.8624 8.3310 8.3555 9.4398 9.5822 9.7474 9.9118 10.1064 10.3234 k =-0.0473 0.0672 0.0821 ( 10285 PWs) bands (ev): -8.3176 -8.3176 -7.6486 -7.6453 -7.6294 -7.6266 -7.6239 -7.6237 -2.7844 -2.7825 -2.7554 -2.7512 -1.2030 -1.1787 -1.1177 -1.1014 -1.0988 -1.0811 -0.5103 -0.4892 0.2835 0.3474 1.1413 1.1496 1.2281 1.2605 1.5745 1.6383 1.6807 1.7821 1.8163 1.8250 2.1078 2.1396 2.1648 2.2171 2.4690 2.5084 2.9323 2.9886 3.0267 3.0462 3.5083 3.5950 3.6513 3.6544 3.6642 3.6862 3.7135 3.7625 3.7726 3.8435 3.9087 3.9652 4.1064 4.1085 4.7968 4.8054 5.1356 5.1611 5.2529 5.2639 5.9846 6.0268 7.7670 7.8139 8.2893 8.3103 9.4648 9.5899 9.7659 9.9144 10.1135 10.3038 k =-0.0378 0.0537 0.0657 ( 10311 PWs) bands (ev): -8.3226 -8.3225 -7.6468 -7.6441 -7.6271 -7.6248 -7.6216 -7.6215 -2.7844 -2.7826 -2.7546 -2.7511 -1.1999 -1.1796 -1.1154 -1.1011 -1.1000 -1.0841 -0.5138 -0.4966 0.2864 0.3379 1.1453 1.1567 1.2397 1.2643 1.5826 1.6371 1.7018 1.7827 1.8211 1.8277 2.0959 2.1281 2.1429 2.1911 2.4745 2.5061 2.9598 3.0015 3.0453 3.0546 3.5134 3.5847 3.6486 3.6565 3.6668 3.6797 3.7062 3.7486 3.7734 3.8315 3.9052 3.9504 4.1014 4.1040 4.8139 4.8209 5.1792 5.2038 5.2711 5.2801 5.9281 5.9658 7.7347 7.7727 8.2553 8.2725 9.4878 9.5917 9.7861 9.9117 10.1249 10.2832 k =-0.0284 0.0403 0.0493 ( 10317 PWs) bands (ev): -8.3264 -8.3264 -7.6456 -7.6435 -7.6251 -7.6233 -7.6197 -7.6196 -2.7843 -2.7828 -2.7538 -2.7511 -1.1969 -1.1812 -1.1127 -1.1013 -1.1006 -1.0872 -0.5160 -0.5029 0.2901 0.3291 1.1493 1.1607 1.2500 1.2677 1.5915 1.6347 1.7207 1.7815 1.8248 1.8297 2.0872 2.1189 2.1249 2.1682 2.4797 2.5035 2.9823 3.0102 3.0607 3.0625 3.5194 3.5740 3.6473 3.6575 3.6698 3.6747 3.7002 3.7351 3.7762 3.8205 3.9037 3.9375 4.0979 4.1004 4.8276 4.8329 5.2201 5.2421 5.2860 5.2929 5.8788 5.9106 7.7104 7.7392 8.2291 8.2422 9.5088 9.5888 9.8069 9.9046 10.1400 10.2620 k =-0.0189 0.0269 0.0328 ( 10321 PWs) bands (ev): -8.3292 -8.3292 -7.6447 -7.6433 -7.6234 -7.6222 -7.6182 -7.6182 -2.7841 -2.7831 -2.7531 -2.7513 -1.1939 -1.1832 -1.1100 -1.1025 -1.0997 -1.0904 -0.5170 -0.5081 0.2947 0.3208 1.1531 1.1622 1.2586 1.2701 1.6007 1.6307 1.7373 1.7781 1.8275 1.8309 2.0824 2.1059 2.1180 2.1491 2.4846 2.5005 2.9991 3.0156 3.0696 3.0716 3.5264 3.5633 3.6474 3.6568 3.6721 3.6726 3.6968 3.7225 3.7806 3.8105 3.9043 3.9268 4.0958 4.0977 4.8378 4.8413 5.2554 5.2722 5.2973 5.3024 5.8406 5.8642 7.6942 7.7136 8.2110 8.2198 9.5278 9.5820 9.8274 9.8940 10.1576 10.2405 k =-0.0095 0.0134 0.0164 ( 10329 PWs) bands (ev): -8.3309 -8.3309 -7.6441 -7.6434 -7.6223 -7.6217 -7.6174 -7.6174 -2.7839 -2.7833 -2.7525 -2.7516 -1.1910 -1.1856 -1.1076 -1.1039 -1.0982 -1.0934 -0.5166 -0.5122 0.3002 0.3132 1.1567 1.1616 1.2651 1.2708 1.6097 1.6251 1.7515 1.7720 1.8294 1.8312 2.0818 2.0938 2.1185 2.1342 2.4891 2.4971 3.0102 3.0176 3.0753 3.0774 3.5344 3.5530 3.6488 3.6543 3.6721 3.6739 3.6975 3.7114 3.7864 3.8015 3.9068 3.9181 4.0949 4.0959 4.8443 4.8461 5.2808 5.2895 5.3055 5.3088 5.8177 5.8306 7.6865 7.6962 8.2010 8.2054 9.5447 9.5720 9.8468 9.8805 10.1771 10.2189 k = 0.0000 0.0000 0.0000 ( 10351 PWs) bands (ev): -8.3314 -8.3314 -7.6436 -7.6436 -7.6217 -7.6217 -7.6171 -7.6171 -2.7836 -2.7836 -2.7520 -2.7520 -1.1882 -1.1882 -1.1055 -1.1055 -1.0961 -1.0961 -0.5150 -0.5150 0.3063 0.3063 1.1597 1.1597 1.2692 1.2692 1.6180 1.6180 1.7632 1.7632 1.8307 1.8307 2.0857 2.0857 2.1239 2.1239 2.4933 2.4933 3.0161 3.0161 3.0783 3.0783 3.5433 3.5433 3.6512 3.6512 3.6732 3.6732 3.7027 3.7027 3.7934 3.7934 3.9114 3.9114 4.0949 4.0949 4.8471 4.8471 5.2923 5.2923 5.3102 5.3102 5.8141 5.8141 7.6871 7.6871 8.1991 8.1991 9.5595 9.5595 9.8647 9.8647 10.1977 10.1977 k = 0.0000 0.0000 0.0000 ( 10351 PWs) bands (ev): -8.3314 -8.3314 -7.6436 -7.6436 -7.6217 -7.6217 -7.6171 -7.6171 -2.7836 -2.7836 -2.7520 -2.7520 -1.1882 -1.1882 -1.1055 -1.1055 -1.0961 -1.0961 -0.5150 -0.5150 0.3063 0.3063 1.1597 1.1597 1.2692 1.2692 1.6180 1.6180 1.7632 1.7632 1.8307 1.8307 2.0857 2.0857 2.1239 2.1239 2.4933 2.4933 3.0161 3.0161 3.0783 3.0783 3.5433 3.5433 3.6512 3.6512 3.6732 3.6732 3.7027 3.7027 3.7934 3.7934 3.9114 3.9114 4.0949 4.0949 4.8471 4.8471 5.2923 5.2923 5.3102 5.3102 5.8141 5.8141 7.6871 7.6871 8.1991 8.1991 9.5595 9.5595 9.8647 9.8647 10.1977 10.1977 k = 0.0192 0.0135 0.0000 ( 10347 PWs) bands (ev): -8.3309 -8.3309 -7.6443 -7.6443 -7.6217 -7.6217 -7.6171 -7.6171 -2.7838 -2.7838 -2.7520 -2.7520 -1.1890 -1.1890 -1.1060 -1.1060 -1.0952 -1.0952 -0.5152 -0.5152 0.3062 0.3062 1.1564 1.1564 1.2745 1.2745 1.6193 1.6193 1.7635 1.7635 1.8305 1.8305 2.0864 2.0864 2.1250 2.1250 2.4920 2.4920 3.0163 3.0163 3.0790 3.0790 3.5434 3.5434 3.6510 3.6510 3.6735 3.6735 3.7030 3.7030 3.7935 3.7935 3.9117 3.9117 4.0942 4.0942 4.8456 4.8456 5.2895 5.2895 5.3034 5.3034 5.8224 5.8224 7.6890 7.6890 8.2007 8.2007 9.5518 9.5518 9.8560 9.8560 10.1841 10.1841 k = 0.0385 0.0271 0.0000 ( 10319 PWs) bands (ev): -8.3293 -8.3293 -7.6463 -7.6463 -7.6217 -7.6217 -7.6171 -7.6171 -2.7844 -2.7844 -2.7520 -2.7520 -1.1913 -1.1913 -1.1072 -1.1072 -1.0929 -1.0929 -0.5159 -0.5159 0.3056 0.3056 1.1483 1.1483 1.2887 1.2887 1.6231 1.6231 1.7647 1.7647 1.8298 1.8298 2.0885 2.0885 2.1283 2.1283 2.4880 2.4880 3.0171 3.0171 3.0812 3.0812 3.5438 3.5438 3.6503 3.6503 3.6741 3.6741 3.7038 3.7038 3.7937 3.7937 3.9127 3.9127 4.0920 4.0920 4.8412 4.8412 5.2754 5.2754 5.2906 5.2906 5.8454 5.8454 7.6947 7.6947 8.2053 8.2053 9.5291 9.5291 9.8302 9.8302 10.1458 10.1458 k = 0.0577 0.0406 0.0000 ( 10323 PWs) bands (ev): -8.3266 -8.3266 -7.6496 -7.6496 -7.6218 -7.6218 -7.6171 -7.6171 -2.7853 -2.7853 -2.7519 -2.7519 -1.1948 -1.1948 -1.1090 -1.1090 -1.0896 -1.0896 -0.5169 -0.5169 0.3047 0.3047 1.1383 1.1383 1.3086 1.3086 1.6296 1.6296 1.7667 1.7667 1.8286 1.8286 2.0922 2.0922 2.1336 2.1336 2.4815 2.4815 3.0183 3.0183 3.0848 3.0848 3.5445 3.5445 3.6493 3.6493 3.6750 3.6750 3.7052 3.7052 3.7940 3.7940 3.9142 3.9142 4.0884 4.0884 4.8339 4.8339 5.2450 5.2450 5.2804 5.2804 5.8795 5.8795 7.7043 7.7043 8.2129 8.2129 9.4923 9.4923 9.7884 9.7884 10.0879 10.0879 k = 0.0769 0.0541 0.0000 ( 10299 PWs) bands (ev): -8.3229 -8.3229 -7.6542 -7.6542 -7.6218 -7.6218 -7.6172 -7.6172 -2.7865 -2.7865 -2.7519 -2.7519 -1.1994 -1.1994 -1.1111 -1.1111 -1.0856 -1.0856 -0.5183 -0.5183 0.3036 0.3036 1.1287 1.1287 1.3318 1.3318 1.6385 1.6385 1.7695 1.7695 1.8271 1.8271 2.0976 2.0976 2.1409 2.1409 2.4724 2.4724 3.0200 3.0200 3.0898 3.0898 3.5455 3.5455 3.6480 3.6480 3.6762 3.6762 3.7070 3.7070 3.7945 3.7945 3.9163 3.9163 4.0834 4.0834 4.8238 4.8238 5.2068 5.2068 5.2683 5.2683 5.9205 5.9205 7.7178 7.7178 8.2234 8.2234 9.4431 9.4431 9.7323 9.7323 10.0156 10.0156 k = 0.0962 0.0677 0.0000 ( 10303 PWs) bands (ev): -8.3181 -8.3181 -7.6602 -7.6602 -7.6218 -7.6218 -7.6173 -7.6173 -2.7880 -2.7880 -2.7519 -2.7519 -1.2047 -1.2047 -1.1136 -1.1136 -1.0814 -1.0814 -0.5200 -0.5200 0.3021 0.3021 1.1205 1.1205 1.3567 1.3567 1.6498 1.6498 1.7733 1.7733 1.8254 1.8254 2.1046 2.1046 2.1498 2.1498 2.4609 2.4609 3.0222 3.0222 3.0962 3.0962 3.5467 3.5467 3.6465 3.6465 3.6774 3.6774 3.7093 3.7093 3.7952 3.7952 3.9189 3.9189 4.0770 4.0770 4.8108 4.8108 5.1651 5.1651 5.2535 5.2535 5.9651 5.9651 7.7355 7.7355 8.2369 8.2369 9.3834 9.3834 9.6641 9.6641 9.9334 9.9334 k = 0.1154 0.0812 0.0000 ( 10299 PWs) bands (ev): -8.3123 -8.3123 -7.6673 -7.6673 -7.6219 -7.6219 -7.6174 -7.6174 -2.7898 -2.7898 -2.7520 -2.7520 -1.2105 -1.2105 -1.1164 -1.1164 -1.0770 -1.0770 -0.5219 -0.5219 0.3004 0.3004 1.1144 1.1144 1.3823 1.3823 1.6632 1.6632 1.7781 1.7781 1.8236 1.8236 2.1134 2.1134 2.1602 2.1602 2.4470 2.4470 3.0248 3.0248 3.1039 3.1039 3.5481 3.5481 3.6450 3.6450 3.6787 3.6787 3.7120 3.7120 3.7959 3.7959 3.9219 3.9219 4.0692 4.0692 4.7952 4.7952 5.1223 5.1223 5.2360 5.2360 6.0108 6.0108 7.7575 7.7575 8.2532 8.2532 9.3154 9.3154 9.5864 9.5864 9.8445 9.8445 k = 0.1346 0.0947 0.0000 ( 10303 PWs) bands (ev): -8.3055 -8.3055 -7.6757 -7.6757 -7.6219 -7.6219 -7.6175 -7.6175 -2.7918 -2.7918 -2.7521 -2.7521 -1.2166 -1.2166 -1.1196 -1.1196 -1.0727 -1.0727 -0.5240 -0.5240 0.2984 0.2984 1.1107 1.1107 1.4078 1.4078 1.6782 1.6782 1.7839 1.7839 1.8223 1.8223 2.1241 2.1241 2.1719 2.1719 2.4309 2.4309 3.0278 3.0278 3.1129 3.1129 3.5498 3.5498 3.6433 3.6433 3.6799 3.6799 3.7152 3.7152 3.7968 3.7968 3.9251 3.9251 4.0603 4.0603 4.7770 4.7770 5.0799 5.0799 5.2159 5.2159 6.0559 6.0559 7.7839 7.7839 8.2721 8.2721 9.2413 9.2413 9.5018 9.5018 9.7513 9.7513 k = 0.1538 0.1083 0.0000 ( 10275 PWs) bands (ev): -8.2977 -8.2977 -7.6853 -7.6853 -7.6220 -7.6220 -7.6176 -7.6176 -2.7939 -2.7939 -2.7523 -2.7523 -1.2229 -1.2229 -1.1231 -1.1231 -1.0685 -1.0685 -0.5262 -0.5262 0.2963 0.2963 1.1096 1.1096 1.4326 1.4326 1.6939 1.6939 1.7902 1.7902 1.8225 1.8225 2.1367 2.1367 2.1847 2.1847 2.4129 2.4129 3.0312 3.0312 3.1230 3.1230 3.5516 3.5516 3.6415 3.6415 3.6810 3.6810 3.7186 3.7186 3.7979 3.7979 3.9285 3.9285 4.0503 4.0503 4.7565 4.7565 5.0391 5.0391 5.1934 5.1934 6.0990 6.0990 7.8148 7.8148 8.2935 8.2935 9.1632 9.1632 9.4127 9.4127 9.6557 9.6557 k = 0.1731 0.1218 0.0000 ( 10291 PWs) bands (ev): -8.2889 -8.2889 -7.6960 -7.6960 -7.6220 -7.6220 -7.6178 -7.6178 -2.7962 -2.7962 -2.7526 -2.7526 -1.2293 -1.2293 -1.1269 -1.1269 -1.0647 -1.0647 -0.5284 -0.5284 0.2941 0.2941 1.1111 1.1111 1.4564 1.4564 1.7092 1.7092 1.7953 1.7953 1.8268 1.8268 2.1513 2.1513 2.1984 2.1984 2.3931 2.3931 3.0349 3.0349 3.1343 3.1343 3.5536 3.5536 3.6397 3.6397 3.6819 3.6819 3.7223 3.7223 3.7991 3.7991 3.9316 3.9316 4.0397 4.0397 4.7340 4.7340 5.0004 5.0004 5.1689 5.1689 6.1392 6.1392 7.8502 7.8502 8.3172 8.3172 9.0828 9.0828 9.3212 9.3212 9.5592 9.5592 k = 0.1923 0.1353 0.0000 ( 10283 PWs) bands (ev): -8.2792 -8.2792 -7.7077 -7.7077 -7.6221 -7.6221 -7.6179 -7.6179 -2.7985 -2.7985 -2.7529 -2.7529 -1.2355 -1.2355 -1.1308 -1.1308 -1.0613 -1.0613 -0.5306 -0.5306 0.2918 0.2918 1.1153 1.1153 1.4789 1.4789 1.7227 1.7227 1.7975 1.7975 1.8377 1.8377 2.1677 2.1677 2.2128 2.2128 2.3721 2.3721 3.0390 3.0390 3.1465 3.1465 3.5557 3.5557 3.6377 3.6377 3.6825 3.6825 3.7261 3.7261 3.8004 3.8004 3.9338 3.9338 4.0290 4.0290 4.7100 4.7100 4.9643 4.9643 5.1427 5.1427 6.1757 6.1757 7.8898 7.8898 8.3430 8.3430 9.0020 9.0020 9.2290 9.2290 9.4631 9.4631 k = 0.2115 0.1489 0.0000 ( 10267 PWs) bands (ev): -8.2686 -8.2686 -7.7204 -7.7204 -7.6221 -7.6221 -7.6181 -7.6181 -2.8009 -2.8009 -2.7534 -2.7534 -1.2417 -1.2417 -1.1349 -1.1349 -1.0584 -1.0584 -0.5327 -0.5327 0.2895 0.2895 1.1221 1.1221 1.4998 1.4998 1.7334 1.7334 1.7977 1.7977 1.8546 1.8546 2.1858 2.1858 2.2275 2.2275 2.3506 2.3506 3.0434 3.0434 3.1596 3.1596 3.5580 3.5580 3.6356 3.6356 3.6828 3.6828 3.7301 3.7301 3.8019 3.8019 3.9344 3.9344 4.0191 4.0191 4.6851 4.6851 4.9307 4.9307 5.1151 5.1151 6.2082 6.2082 7.9335 7.9335 8.3703 8.3703 8.9223 8.9223 9.1376 9.1376 9.3685 9.3685 k = 0.2308 0.1624 0.0000 ( 10255 PWs) bands (ev): -8.2572 -8.2572 -7.7341 -7.7341 -7.6221 -7.6221 -7.6183 -7.6183 -2.8033 -2.8033 -2.7538 -2.7538 -1.2476 -1.2476 -1.1391 -1.1391 -1.0560 -1.0560 -0.5346 -0.5346 0.2872 0.2872 1.1314 1.1314 1.5193 1.5193 1.7406 1.7406 1.7977 1.7977 1.8755 1.8755 2.2049 2.2049 2.2416 2.2416 2.3302 2.3302 3.0481 3.0481 3.1734 3.1734 3.5603 3.5603 3.6334 3.6334 3.6827 3.6827 3.7342 3.7342 3.8035 3.8035 3.9320 3.9320 4.0113 4.0113 4.6597 4.6597 4.8998 4.8998 5.0865 5.0865 6.2365 6.2365 7.9808 7.9808 8.3986 8.3986 8.8455 8.8455 9.0482 9.0482 9.2764 9.2764 k = 0.2500 0.1759 0.0000 ( 10271 PWs) bands (ev): -8.2450 -8.2450 -7.7485 -7.7485 -7.6222 -7.6222 -7.6185 -7.6185 -2.8057 -2.8057 -2.7544 -2.7544 -1.2533 -1.2533 -1.1432 -1.1432 -1.0540 -1.0540 -0.5363 -0.5363 0.2849 0.2849 1.1432 1.1432 1.5371 1.5371 1.7440 1.7440 1.7991 1.7991 1.8982 1.8982 2.2228 2.2228 2.2527 2.2527 2.3159 2.3159 3.0531 3.0531 3.1878 3.1878 3.5625 3.5625 3.6308 3.6308 3.6820 3.6820 3.7383 3.7383 3.8052 3.8052 3.9257 3.9257 4.0070 4.0070 4.6344 4.6344 4.8712 4.8712 5.0571 5.0571 6.2604 6.2604 8.0312 8.0312 8.4264 8.4264 8.7737 8.7737 8.9616 8.9616 9.1874 9.1874 k = 0.2692 0.1895 0.0000 ( 10279 PWs) bands (ev): -8.2320 -8.2320 -7.7637 -7.7637 -7.6222 -7.6222 -7.6187 -7.6187 -2.8080 -2.8080 -2.7549 -2.7549 -1.2588 -1.2588 -1.1474 -1.1474 -1.0526 -1.0526 -0.5378 -0.5378 0.2827 0.2827 1.1572 1.1572 1.5533 1.5533 1.7437 1.7437 1.8023 1.8023 1.9214 1.9214 2.2307 2.2307 2.2604 2.2604 2.3170 2.3170 3.0582 3.0582 3.2025 3.2025 3.5648 3.5648 3.6279 3.6279 3.6807 3.6807 3.7423 3.7423 3.8070 3.8070 3.9155 3.9155 4.0062 4.0062 4.6099 4.6099 4.8450 4.8450 5.0275 5.0275 6.2802 6.2802 8.0837 8.0837 8.4509 8.4509 8.7104 8.7104 8.8788 8.8788 9.1024 9.1024 k = 0.2885 0.2030 0.0000 ( 10291 PWs) bands (ev): -8.2183 -8.2183 -7.7796 -7.7796 -7.6222 -7.6222 -7.6188 -7.6188 -2.8102 -2.8102 -2.7555 -2.7555 -1.2639 -1.2639 -1.1514 -1.1514 -1.0516 -1.0516 -0.5391 -0.5391 0.2806 0.2806 1.1734 1.1734 1.5678 1.5678 1.7405 1.7405 1.8074 1.8074 1.9435 1.9435 2.2185 2.2185 2.2740 2.2740 2.3343 2.3343 3.0635 3.0635 3.2175 3.2175 3.5669 3.5669 3.6243 3.6243 3.6786 3.6786 3.7463 3.7463 3.8087 3.8087 3.9025 3.9025 4.0082 4.0082 4.5864 4.5864 4.8210 4.8210 4.9980 4.9980 6.2961 6.2961 8.1377 8.1377 8.4653 8.4653 8.6630 8.6630 8.8004 8.8004 9.0218 9.0218 k = 0.3077 0.2165 0.0000 ( 10295 PWs) bands (ev): -8.2041 -8.2041 -7.7960 -7.7960 -7.6222 -7.6222 -7.6190 -7.6190 -2.8124 -2.8124 -2.7561 -2.7561 -1.2687 -1.2687 -1.1553 -1.1553 -1.0510 -1.0510 -0.5401 -0.5401 0.2787 0.2787 1.1915 1.1915 1.5804 1.5804 1.7353 1.7353 1.8138 1.8138 1.9636 1.9636 2.1975 2.1975 2.2896 2.2896 2.3604 2.3604 3.0689 3.0689 3.2324 3.2324 3.5688 3.5688 3.6200 3.6200 3.6758 3.6758 3.7501 3.7501 3.8105 3.8105 3.8881 3.8881 4.0121 4.0121 4.5643 4.5643 4.7992 4.7992 4.9690 4.9690 6.3085 6.3085 8.1916 8.1916 8.4591 8.4591 8.6428 8.6428 8.7270 8.7270 8.9464 8.9464 k = 0.3269 0.2301 0.0000 ( 10299 PWs) bands (ev): -8.1893 -8.1893 -7.8128 -7.8128 -7.6223 -7.6223 -7.6192 -7.6192 -2.8144 -2.8144 -2.7567 -2.7567 -1.2731 -1.2731 -1.1589 -1.1589 -1.0507 -1.0507 -0.5409 -0.5409 0.2768 0.2768 1.2113 1.2113 1.5908 1.5908 1.7289 1.7289 1.8212 1.8212 1.9806 1.9806 2.1749 2.1749 2.3044 2.3044 2.3912 2.3912 3.0744 3.0744 3.2470 3.2470 3.5705 3.5705 3.6146 3.6146 3.6724 3.6724 3.7538 3.7538 3.8123 3.8123 3.8735 3.8735 4.0169 4.0169 4.5440 4.5440 4.7794 4.7794 4.9408 4.9408 6.3179 6.3179 8.2433 8.2433 8.4324 8.4324 8.6485 8.6485 8.6620 8.6620 8.8766 8.8766 k = 0.3462 0.2436 0.0000 ( 10279 PWs) bands (ev): -8.1741 -8.1741 -7.8298 -7.8298 -7.6223 -7.6223 -7.6194 -7.6194 -2.8162 -2.8162 -2.7573 -2.7573 -1.2770 -1.2770 -1.1624 -1.1624 -1.0507 -1.0507 -0.5415 -0.5415 0.2751 0.2751 1.2325 1.2325 1.5986 1.5986 1.7220 1.7220 1.8294 1.8294 1.9936 1.9936 2.1536 2.1536 2.3180 2.3180 2.4242 2.4242 3.0798 3.0798 3.2611 3.2611 3.5716 3.5716 3.6080 3.6080 3.6686 3.6686 3.7574 3.7574 3.8139 3.8139 3.8598 3.8598 4.0222 4.0222 4.5256 4.5256 4.7618 4.7618 4.9140 4.9140 6.3246 6.3246 8.2861 8.2861 8.4035 8.4035 8.5962 8.5962 8.6770 8.6770 8.8129 8.8129 k = 0.3654 0.2571 0.0000 ( 10271 PWs) bands (ev): -8.1587 -8.1587 -7.8470 -7.8470 -7.6223 -7.6223 -7.6195 -7.6195 -2.8179 -2.8179 -2.7579 -2.7579 -1.2806 -1.2806 -1.1655 -1.1655 -1.0509 -1.0509 -0.5420 -0.5420 0.2736 0.2736 1.2548 1.2548 1.6031 1.6031 1.7156 1.7156 1.8383 1.8383 2.0012 2.0012 2.1355 2.1355 2.3301 2.3301 2.4579 2.4579 3.0851 3.0851 3.2744 3.2744 3.5719 3.5719 3.6004 3.6004 3.6648 3.6648 3.7607 3.7607 3.8155 3.8155 3.8475 3.8475 4.0275 4.0275 4.5092 4.5092 4.7463 4.7463 4.8888 4.8888 6.3291 6.3291 8.2982 8.2982 8.4029 8.4029 8.5407 8.5407 8.7078 8.7078 8.7557 8.7557 k = 0.3846 0.2707 0.0000 ( 10243 PWs) bands (ev): -8.1433 -8.1433 -7.8639 -7.8639 -7.6223 -7.6223 -7.6197 -7.6197 -2.8194 -2.8194 -2.7584 -2.7584 -1.2837 -1.2837 -1.1682 -1.1682 -1.0513 -1.0513 -0.5423 -0.5423 0.2723 0.2723 1.2776 1.2776 1.6037 1.6037 1.7104 1.7104 1.8478 1.8478 2.0023 2.0023 2.1226 2.1226 2.3409 2.3409 2.4909 2.4909 3.0903 3.0903 3.2866 3.2866 3.5701 3.5701 3.5928 3.5928 3.6613 3.6613 3.7637 3.7637 3.8168 3.8168 3.8370 3.8370 4.0326 4.0326 4.4950 4.4950 4.7330 4.7330 4.8658 4.8658 6.3320 6.3320 8.2760 8.2760 8.4373 8.4373 8.4919 8.4919 8.7052 8.7052 8.7407 8.7407 k = 0.4038 0.2842 0.0000 ( 10235 PWs) bands (ev): -8.1282 -8.1282 -7.8805 -7.8805 -7.6223 -7.6223 -7.6198 -7.6198 -2.8206 -2.8206 -2.7588 -2.7588 -1.2864 -1.2864 -1.1707 -1.1707 -1.0517 -1.0517 -0.5425 -0.5425 0.2712 0.2712 1.3005 1.3005 1.6003 1.6003 1.7069 1.7069 1.8580 1.8580 1.9964 1.9964 2.1156 2.1156 2.3502 2.3502 2.5219 2.5219 3.0951 3.0951 3.2974 3.2974 3.5646 3.5646 3.5877 3.5877 3.6583 3.6583 3.7665 3.7665 3.8178 3.8178 3.8286 3.8286 4.0373 4.0373 4.4828 4.4828 4.7218 4.7218 4.8453 4.8453 6.3337 6.3337 8.2464 8.2464 8.4496 8.4496 8.4813 8.4813 8.6622 8.6622 8.7726 8.7726 k = 0.4231 0.2977 0.0000 ( 10223 PWs) bands (ev): -8.1137 -8.1137 -7.8961 -7.8961 -7.6222 -7.6222 -7.6199 -7.6199 -2.8217 -2.8217 -2.7592 -2.7592 -1.2886 -1.2886 -1.1727 -1.1727 -1.0522 -1.0522 -0.5426 -0.5426 0.2702 0.2702 1.3227 1.3227 1.5933 1.5933 1.7052 1.7052 1.8689 1.8689 1.9851 1.9851 2.1133 2.1133 2.3579 2.3579 2.5495 2.5495 3.0995 3.0995 3.3065 3.3065 3.5557 3.5557 3.5855 3.5855 3.6560 3.6560 3.7689 3.7689 3.8178 3.8178 3.8229 3.8229 4.0413 4.0413 4.4729 4.4729 4.7128 4.7128 4.8278 4.8278 6.3345 6.3345 8.2191 8.2191 8.4150 8.4150 8.5239 8.5239 8.6269 8.6269 8.8024 8.8024 k = 0.4423 0.3113 0.0000 ( 10227 PWs) bands (ev): -8.1006 -8.1006 -7.9101 -7.9101 -7.6222 -7.6222 -7.6200 -7.6200 -2.8225 -2.8225 -2.7595 -2.7595 -1.2903 -1.2903 -1.1743 -1.1743 -1.0526 -1.0526 -0.5427 -0.5427 0.2695 0.2695 1.3430 1.3430 1.5841 1.5841 1.7047 1.7047 1.8804 1.8804 1.9709 1.9709 2.1136 2.1136 2.3640 2.3640 2.5726 2.5726 3.1033 3.1033 3.3137 3.3137 3.5460 3.5460 3.5848 3.5848 3.6542 3.6542 3.7709 3.7709 3.8150 3.8150 3.8213 3.8213 4.0446 4.0446 4.4652 4.4652 4.7060 4.7060 4.8136 4.8136 6.3347 6.3347 8.1968 8.1968 8.3878 8.3878 8.5607 8.5607 8.6011 8.6011 8.8288 8.8288 k = 0.4615 0.3248 0.0000 ( 10239 PWs) bands (ev): -8.0897 -8.0897 -7.9216 -7.9216 -7.6222 -7.6222 -7.6201 -7.6201 -2.8232 -2.8232 -2.7597 -2.7597 -1.2916 -1.2916 -1.1754 -1.1754 -1.0529 -1.0529 -0.5427 -0.5427 0.2690 0.2690 1.3599 1.3599 1.5747 1.5747 1.7049 1.7049 1.8924 1.8924 1.9558 1.9558 2.1147 2.1147 2.3684 2.3684 2.5900 2.5900 3.1062 3.1062 3.3188 3.3188 3.5377 3.5377 3.5846 3.5846 3.6530 3.6530 3.7725 3.7725 3.8119 3.8119 3.8214 3.8214 4.0470 4.0470 4.4596 4.4596 4.7012 4.7012 4.8032 4.8032 6.3347 6.3347 8.1805 8.1805 8.3682 8.3682 8.5719 8.5719 8.6015 8.6015 8.8507 8.8507 k = 0.4808 0.3383 0.0000 ( 10264 PWs) bands (ev): -8.0824 -8.0824 -7.9294 -7.9294 -7.6222 -7.6222 -7.6201 -7.6201 -2.8235 -2.8235 -2.7599 -2.7599 -1.2923 -1.2923 -1.1761 -1.1761 -1.0531 -1.0531 -0.5427 -0.5427 0.2687 0.2687 1.3714 1.3714 1.5675 1.5675 1.7053 1.7053 1.9043 1.9043 1.9416 1.9416 2.1158 2.1158 2.3710 2.3710 2.6009 2.6009 3.1081 3.1081 3.3220 3.3220 3.5322 3.5322 3.5846 3.5846 3.6523 3.6523 3.7735 3.7735 3.8098 3.8098 3.8216 3.8216 4.0485 4.0485 4.4563 4.4563 4.6984 4.6984 4.7967 4.7967 6.3346 6.3346 8.1705 8.1705 8.3564 8.3564 8.5627 8.5627 8.6197 8.6197 8.8665 8.8665 k = 0.5000 0.3518 0.0000 ( 10288 PWs) bands (ev): -8.0797 -8.0797 -7.9322 -7.9322 -7.6222 -7.6222 -7.6202 -7.6202 -2.8236 -2.8236 -2.7599 -2.7599 -1.2926 -1.2926 -1.1763 -1.1763 -1.0532 -1.0532 -0.5427 -0.5427 0.2686 0.2686 1.3756 1.3756 1.5647 1.5647 1.7054 1.7054 1.9113 1.9113 1.9338 1.9338 2.1162 2.1162 2.3719 2.3719 2.6046 2.6046 3.1087 3.1087 3.3230 3.3230 3.5303 3.5303 3.5846 3.5846 3.6520 3.6520 3.7738 3.7738 3.8092 3.8092 3.8217 3.8217 4.0490 4.0490 4.4552 4.4552 4.6974 4.6974 4.7946 4.7946 6.3346 6.3346 8.1672 8.1672 8.3525 8.3525 8.5590 8.5590 8.6268 8.6268 8.8726 8.8726 k = 0.5000 0.3518 0.0000 ( 10288 PWs) bands (ev): -8.0797 -8.0797 -7.9322 -7.9322 -7.6222 -7.6222 -7.6202 -7.6202 -2.8236 -2.8236 -2.7599 -2.7599 -1.2926 -1.2926 -1.1763 -1.1763 -1.0532 -1.0532 -0.5427 -0.5427 0.2686 0.2686 1.3756 1.3756 1.5647 1.5647 1.7054 1.7054 1.9113 1.9113 1.9338 1.9338 2.1162 2.1162 2.3719 2.3719 2.6046 2.6046 3.1087 3.1087 3.3230 3.3230 3.5303 3.5303 3.5846 3.5846 3.6520 3.6520 3.7738 3.7738 3.8092 3.8092 3.8217 3.8217 4.0490 4.0490 4.4552 4.4552 4.6974 4.6974 4.7946 4.7946 6.3346 6.3346 8.1672 8.1672 8.3525 8.3525 8.5590 8.5590 8.6268 8.6268 8.8726 8.8726 k = 0.4906 0.3652 0.0163 ( 10276 PWs) bands (ev): -8.0794 -8.0792 -7.9320 -7.9319 -7.6227 -7.6225 -7.6205 -7.6204 -2.8240 -2.8232 -2.7610 -2.7590 -1.2961 -1.2888 -1.1805 -1.1721 -1.0565 -1.0500 -0.5436 -0.5402 0.2692 0.2697 1.3716 1.3776 1.5444 1.5809 1.7041 1.7063 1.9057 1.9147 1.9160 1.9563 2.1143 2.1168 2.3708 2.3714 2.5981 2.6101 3.0995 3.1148 3.3131 3.3251 3.5289 3.5357 3.5732 3.5973 3.6517 3.6543 3.7669 3.7796 3.8035 3.8129 3.8140 3.8346 4.0443 4.0545 4.4551 4.4568 4.6958 4.6976 4.7898 4.7975 6.3314 6.3420 8.1619 8.1760 8.3528 8.3546 8.5589 8.5662 8.6177 8.6401 8.8737 8.8801 k = 0.4812 0.3786 0.0327 ( 10268 PWs) bands (ev): -8.0784 -8.0780 -7.9311 -7.9311 -7.6244 -7.6242 -7.6211 -7.6207 -2.8242 -2.8226 -2.7621 -2.7582 -1.2993 -1.2849 -1.1846 -1.1680 -1.0599 -1.0469 -0.5428 -0.5360 0.2716 0.2726 1.3655 1.3778 1.5209 1.5917 1.7023 1.7067 1.8893 1.9122 1.9184 1.9797 2.1115 2.1160 2.3682 2.3690 2.5910 2.6148 3.0873 3.1178 3.2968 3.3193 3.5311 3.5441 3.5641 3.6109 3.6532 3.6585 3.7592 3.7827 3.7955 3.8139 3.8177 3.8492 4.0405 4.0608 4.4565 4.4598 4.6924 4.6960 4.7836 4.7988 6.3326 6.3535 8.1604 8.1877 8.3561 8.3590 8.5655 8.5803 8.6131 8.6570 8.8832 8.8961 k = 0.4718 0.3919 0.0490 ( 10260 PWs) bands (ev): -8.0766 -8.0761 -7.9298 -7.9297 -7.6277 -7.6275 -7.6214 -7.6207 -2.8243 -2.8219 -2.7634 -2.7575 -1.3023 -1.2807 -1.1885 -1.1638 -1.0632 -1.0441 -0.5403 -0.5302 0.2758 0.2772 1.3570 1.3760 1.4954 1.5964 1.7001 1.7068 1.8718 1.9133 1.9223 2.0034 2.1078 2.1135 2.3644 2.3647 2.5834 2.6185 3.0720 3.1176 3.2757 3.3067 3.5333 3.5541 3.5601 3.6253 3.6563 3.6647 3.7509 3.7783 3.7943 3.8172 3.8243 3.8645 4.0376 4.0678 4.4593 4.4643 4.6866 4.6922 4.7766 4.7989 6.3381 6.3689 8.1631 8.2014 8.3633 8.3661 8.5784 8.6010 8.6133 8.6771 8.9012 8.9205 k = 0.4624 0.4053 0.0654 ( 10258 PWs) bands (ev): -8.0741 -8.0734 -7.9279 -7.9277 -7.6324 -7.6323 -7.6217 -7.6207 -2.8243 -2.8211 -2.7648 -2.7569 -1.3050 -1.2764 -1.1922 -1.1598 -1.0665 -1.0415 -0.5362 -0.5229 0.2818 0.2836 1.3455 1.3722 1.4692 1.5947 1.6974 1.7066 1.8565 1.9166 1.9260 2.0265 2.1038 2.1094 2.3588 2.3596 2.5757 2.6214 3.0539 3.1141 3.2513 3.2889 3.5309 3.5643 3.5644 3.6403 3.6608 3.6724 3.7421 3.7707 3.7972 3.8227 3.8325 3.8802 4.0356 4.0756 4.4635 4.4699 4.6776 4.6857 4.7701 4.7984 6.3477 6.3879 8.1699 8.2164 8.3757 8.3764 8.5967 8.6185 8.6277 8.6998 8.9275 8.9531 k = 0.4530 0.4187 0.0817 ( 10258 PWs) bands (ev): -8.0709 -8.0699 -7.9255 -7.9253 -7.6386 -7.6384 -7.6219 -7.6206 -2.8241 -2.8202 -2.7663 -2.7565 -1.3075 -1.2719 -1.1956 -1.1559 -1.0695 -1.0392 -0.5307 -0.5143 0.2897 0.2916 1.3302 1.3662 1.4436 1.5873 1.6939 1.7061 1.8436 1.9213 1.9293 2.0481 2.1003 2.1034 2.3512 2.3542 2.5683 2.6236 3.0328 3.1073 3.2249 3.2677 3.5253 3.5739 3.5745 3.6554 3.6666 3.6815 3.7330 3.7641 3.8007 3.8300 3.8423 3.8960 4.0347 4.0841 4.4690 4.4766 4.6647 4.6757 4.7651 4.7982 6.3612 6.4100 8.1807 8.2317 8.3909 8.3943 8.6183 8.6302 8.6599 8.7247 8.9618 8.9938 k = 0.4436 0.4320 0.0981 ( 10258 PWs) bands (ev): -8.0669 -8.0658 -7.9225 -7.9223 -7.6460 -7.6459 -7.6222 -7.6205 -2.8237 -2.8193 -2.7678 -2.7561 -1.3096 -1.2675 -1.1986 -1.1523 -1.0722 -1.0372 -0.5237 -0.5044 0.2993 0.3013 1.3102 1.3576 1.4199 1.5754 1.6889 1.7055 1.8333 1.9267 1.9317 2.0649 2.0960 2.1001 2.3426 2.3484 2.5617 2.6251 3.0087 3.0970 3.1974 3.2445 3.5194 3.5822 3.5869 3.6684 3.6753 3.6916 3.7236 3.7597 3.8040 3.8389 3.8536 3.9118 4.0350 4.0933 4.4755 4.4842 4.6476 4.6622 4.7619 4.7987 6.3784 6.4349 8.1952 8.2471 8.4102 8.4200 8.6371 8.6537 8.6969 8.7514 9.0039 9.0424 k = 0.4342 0.4454 0.1144 ( 10252 PWs) bands (ev): -8.0622 -8.0609 -7.9191 -7.9188 -7.6548 -7.6546 -7.6224 -7.6205 -2.8233 -2.8182 -2.7695 -2.7559 -1.3115 -1.2631 -1.2010 -1.1488 -1.0747 -1.0354 -0.5154 -0.4934 0.3108 0.3126 1.2850 1.3461 1.3992 1.5608 1.6818 1.7047 1.8252 1.9317 1.9330 2.0707 2.0874 2.1096 2.3334 2.3423 2.5562 2.6261 2.9817 3.0829 3.1696 3.2206 3.5142 3.5890 3.6000 3.6762 3.6895 3.7024 3.7142 3.7579 3.8071 3.8494 3.8665 3.9276 4.0365 4.1033 4.4829 4.4922 4.6267 4.6452 4.7604 4.8001 6.3987 6.4621 8.2130 8.2625 8.4352 8.4527 8.6556 8.6860 8.7383 8.7797 9.0536 9.0986 k = 0.4248 0.4588 0.1307 ( 10246 PWs) bands (ev): -8.0568 -8.0554 -7.9151 -7.9148 -7.6647 -7.6645 -7.6226 -7.6205 -2.8226 -2.8171 -2.7712 -2.7557 -1.3130 -1.2590 -1.2028 -1.1457 -1.0767 -1.0340 -0.5061 -0.4814 0.3241 0.3256 1.2550 1.3315 1.3813 1.5449 1.6724 1.7037 1.8191 1.9326 1.9350 2.0678 2.0785 2.1260 2.3244 2.3363 2.5522 2.6266 2.9519 3.0649 3.1421 3.1970 3.5098 3.5942 3.6132 3.6824 3.7043 3.7050 3.7139 3.7592 3.8100 3.8614 3.8808 3.9431 4.0392 4.1140 4.4907 4.5000 4.6030 4.6255 4.7602 4.8023 6.4220 6.4912 8.2335 8.2785 8.4665 8.4921 8.6769 8.7230 8.7833 8.8095 9.1105 9.1621 k = 0.4154 0.4721 0.1471 ( 10250 PWs) bands (ev): -8.0508 -8.0491 -7.9107 -7.9103 -7.6759 -7.6757 -7.6228 -7.6205 -2.8218 -2.8160 -2.7729 -2.7556 -1.3143 -1.2552 -1.2037 -1.1428 -1.0783 -1.0328 -0.4958 -0.4687 0.3393 0.3401 1.2212 1.3133 1.3657 1.5290 1.6607 1.7026 1.8147 1.9301 1.9350 2.0623 2.0706 2.1432 2.3165 2.3302 2.5501 2.6267 2.9194 3.0429 3.1153 3.1745 3.5064 3.5978 3.6262 3.6879 3.6951 3.7202 3.7250 3.7637 3.8127 3.8747 3.8965 3.9584 4.0434 4.1255 4.4980 4.5068 4.5778 4.6044 4.7608 4.8050 6.4476 6.5219 8.2563 8.2955 8.5046 8.5376 8.7014 8.7636 8.8304 8.8418 9.1744 9.2326 k = 0.4059 0.4855 0.1634 ( 10260 PWs) bands (ev): -8.0441 -8.0423 -7.9058 -7.9054 -7.6881 -7.6879 -7.6231 -7.6205 -2.8209 -2.8147 -2.7746 -2.7556 -1.3152 -1.2522 -1.2035 -1.1404 -1.0793 -1.0320 -0.4847 -0.4553 0.3561 0.3563 1.1845 1.2915 1.3515 1.5139 1.6468 1.7012 1.8115 1.9254 1.9305 2.0563 2.0649 2.1588 2.3108 2.3243 2.5500 2.6264 2.8845 3.0171 3.0894 3.1535 3.5040 3.6000 3.6385 3.6863 3.6927 3.7346 3.7361 3.7716 3.8156 3.8892 3.9137 3.9733 4.0489 4.1378 4.5024 4.5100 4.5542 4.5844 4.7616 4.8077 6.4753 6.5536 8.2812 8.3139 8.5496 8.5882 8.7291 8.8075 8.8692 8.8862 9.2447 9.3096 k = 0.3965 0.4989 0.1798 ( 10278 PWs) bands (ev): -8.0367 -8.0347 -7.9005 -7.9001 -7.7014 -7.7012 -7.6233 -7.6205 -2.8198 -2.8135 -2.7764 -2.7557 -1.3158 -1.2499 -1.2020 -1.1382 -1.0799 -1.0313 -0.4731 -0.4415 0.3736 0.3751 1.1459 1.2663 1.3382 1.4998 1.6311 1.6994 1.8092 1.9181 1.9208 2.0505 2.0619 2.1715 2.3083 2.3186 2.5519 2.6258 2.8477 2.9880 3.0644 3.1339 3.5025 3.6012 3.6490 3.6790 3.6968 3.7470 3.7481 3.7824 3.8188 3.9048 3.9321 3.9880 4.0558 4.1509 4.4949 4.5051 4.5411 4.5707 4.7623 4.8102 6.5046 6.5859 8.3079 8.3340 8.6015 8.6425 8.7607 8.8541 8.9022 8.9397 9.3212 9.3928 k = 0.3871 0.5122 0.1961 ( 10282 PWs) bands (ev): -8.0287 -8.0266 -7.8948 -7.8943 -7.7157 -7.7154 -7.6236 -7.6206 -2.8186 -2.8121 -2.7781 -2.7558 -1.3160 -1.2484 -1.1993 -1.1365 -1.0800 -1.0309 -0.4610 -0.4275 0.3925 0.3956 1.1061 1.2381 1.3254 1.4866 1.6142 1.6974 1.8075 1.9064 1.9083 2.0453 2.0615 2.1804 2.3100 2.3132 2.5559 2.6247 2.8096 2.9566 3.0403 3.1154 3.5018 3.6017 3.6537 3.6774 3.7000 3.7576 3.7609 3.7951 3.8231 3.9212 3.9518 4.0025 4.0642 4.1649 4.4718 4.4884 4.5427 4.5669 4.7625 4.8122 6.5350 6.6186 8.3362 8.3561 8.6599 8.6978 8.7978 8.9030 8.9349 8.9957 9.4034 9.4817 k = 0.3777 0.5256 0.2125 ( 10280 PWs) bands (ev): -8.0201 -8.0179 -7.8887 -7.8882 -7.7308 -7.7306 -7.6239 -7.6206 -2.8172 -2.8108 -2.7797 -2.7560 -1.3158 -1.2477 -1.1955 -1.1351 -1.0797 -1.0307 -0.4487 -0.4133 0.4126 0.4179 1.0653 1.2073 1.3128 1.4737 1.5969 1.6949 1.8063 1.8884 1.8965 2.0408 2.0626 2.1853 2.3081 2.3161 2.5618 2.6232 2.7708 2.9236 3.0170 3.0978 3.5020 3.6016 3.6498 3.6843 3.7023 3.7677 3.7730 3.8073 3.8304 3.9383 3.9726 4.0169 4.0740 4.1798 4.4425 4.4639 4.5496 4.5695 4.7618 4.8134 6.5663 6.6511 8.3661 8.3801 8.7242 8.7498 8.8438 8.9536 8.9676 9.0532 9.4908 9.5758 k = 0.3683 0.5390 0.2288 ( 10284 PWs) bands (ev): -8.0110 -8.0086 -7.8824 -7.8818 -7.7468 -7.7465 -7.6242 -7.6207 -2.8158 -2.8093 -2.7813 -2.7562 -1.3153 -1.2475 -1.1908 -1.1340 -1.0790 -1.0307 -0.4364 -0.3992 0.4340 0.4418 1.0241 1.1745 1.3003 1.4599 1.5803 1.6919 1.8054 1.8679 1.8831 2.0370 2.0646 2.1867 2.3035 2.3260 2.5695 2.6209 2.7323 2.8898 2.9944 3.0806 3.5030 3.6013 3.6423 3.6946 3.7037 3.7773 3.7846 3.8161 3.8434 3.9560 3.9945 4.0312 4.0851 4.1956 4.4115 4.4359 4.5576 4.5742 4.7602 4.8135 6.5980 6.6833 8.3976 8.4060 8.7936 8.7944 8.9014 9.0000 9.0057 9.1116 9.5827 9.6746 k = 0.3589 0.5523 0.2451 ( 10272 PWs) bands (ev): -8.0013 -7.9988 -7.8758 -7.8753 -7.7633 -7.7631 -7.6244 -7.6209 -2.8142 -2.8079 -2.7828 -2.7564 -1.3144 -1.2477 -1.1854 -1.1331 -1.0779 -1.0309 -0.4242 -0.3854 0.4565 0.4674 0.9826 1.1403 1.2878 1.4440 1.5658 1.6883 1.8046 1.8459 1.8691 2.0337 2.0665 2.1854 2.2995 2.3387 2.5787 2.6171 2.6955 2.8558 2.9724 3.0637 3.5046 3.6010 3.6340 3.7043 3.7055 3.7866 3.7955 3.8219 3.8615 3.9743 4.0173 4.0455 4.0977 4.2123 4.3800 4.4068 4.5654 4.5789 4.7572 4.8122 6.6298 6.7147 8.4305 8.4336 8.8321 8.8669 8.9687 9.0324 9.0592 9.1701 9.6782 9.7773 k = 0.3495 0.5657 0.2615 ( 10276 PWs) bands (ev): -7.9911 -7.9884 -7.8692 -7.8687 -7.7803 -7.7800 -7.6248 -7.6210 -2.8124 -2.8064 -2.7842 -2.7567 -1.3131 -1.2480 -1.1795 -1.1324 -1.0767 -1.0313 -0.4123 -0.3721 0.4800 0.4945 0.9412 1.1050 1.2752 1.4250 1.5547 1.6842 1.8036 1.8234 1.8552 2.0307 2.0679 2.1819 2.2962 2.3532 2.5892 2.6091 2.6639 2.8222 2.9510 3.0468 3.5068 3.6008 3.6257 3.7040 3.7162 3.7953 3.8054 3.8268 3.8826 3.9929 4.0406 4.0596 4.1119 4.2299 4.3490 4.3778 4.5723 4.5826 4.7526 4.8094 6.6613 6.7450 8.4628 8.4649 8.8652 8.9417 9.0403 9.0659 9.1153 9.2277 9.7763 9.8830 k = 0.3401 0.5791 0.2778 ( 10278 PWs) bands (ev): -7.9804 -7.9777 -7.8631 -7.8625 -7.7973 -7.7969 -7.6251 -7.6212 -2.8107 -2.8049 -2.7855 -2.7570 -1.3114 -1.2485 -1.1733 -1.1318 -1.0754 -1.0318 -0.4008 -0.3593 0.5043 0.5232 0.9000 1.0690 1.2625 1.4024 1.5475 1.6795 1.7957 1.8072 1.8422 2.0280 2.0686 2.1764 2.2937 2.3687 2.5913 2.6008 2.6438 2.7893 2.9300 3.0300 3.5096 3.6007 3.6174 3.7031 3.7267 3.8036 3.8138 3.8320 3.9056 4.0119 4.0642 4.0732 4.1282 4.2480 4.3194 4.3499 4.5781 4.5849 4.7464 4.8049 6.6924 6.7740 8.4934 8.5004 8.8955 9.0124 9.1051 9.1092 9.1775 9.2837 9.8754 9.9902 k = 0.3307 0.5924 0.2942 ( 10282 PWs) bands (ev): -7.9692 -7.9664 -7.8585 -7.8579 -7.8129 -7.8125 -7.6254 -7.6214 -2.8088 -2.8033 -2.7867 -2.7574 -1.3094 -1.2489 -1.1670 -1.1313 -1.0740 -1.0324 -0.3899 -0.3473 0.5293 0.5533 0.8592 1.0328 1.2496 1.3768 1.5440 1.6742 1.7733 1.8054 1.8306 2.0256 2.0684 2.1690 2.2920 2.3846 2.5646 2.6133 2.6353 2.7577 2.9094 3.0132 3.5129 3.6009 3.6093 3.7016 3.7368 3.8115 3.8206 3.8378 3.9298 4.0312 4.0852 4.0879 4.1469 4.2635 4.2948 4.3241 4.5824 4.5853 4.7382 4.7985 6.7226 6.8013 8.5251 8.5369 8.9235 9.0667 9.1607 9.1681 9.2502 9.3370 9.9732 10.0965 k = 0.3213 0.6058 0.3105 ( 10274 PWs) bands (ev): -7.9577 -7.9548 -7.8593 -7.8588 -7.8234 -7.8229 -7.6258 -7.6217 -2.8069 -2.8017 -2.7876 -2.7578 -1.3069 -1.2492 -1.1606 -1.1307 -1.0727 -1.0331 -0.3798 -0.3361 0.5548 0.5848 0.8190 0.9965 1.2366 1.3489 1.5436 1.6686 1.7492 1.8054 1.8208 2.0234 2.0672 2.1594 2.2913 2.4006 2.5362 2.6266 2.6319 2.7276 2.8891 2.9961 3.5166 3.6013 3.6014 3.6996 3.7464 3.8189 3.8260 3.8440 3.9544 4.0507 4.0950 4.1108 4.1684 4.2553 4.2973 4.3018 4.5836 4.5849 4.7281 4.7901 6.7518 6.8266 8.5575 8.5742 8.9497 9.1013 9.2162 9.2347 9.3320 9.3865 10.0661 10.1975 k = 0.3119 0.6192 0.3269 ( 10278 PWs) bands (ev): -7.9458 -7.9428 -7.8699 -7.8695 -7.8242 -7.8236 -7.6261 -7.6219 -2.8050 -2.8001 -2.7883 -2.7582 -1.3040 -1.2494 -1.1542 -1.1302 -1.0715 -1.0340 -0.3706 -0.3261 0.5808 0.6175 0.7796 0.9605 1.2236 1.3197 1.5455 1.6627 1.7247 1.8060 1.8130 2.0214 2.0653 2.1473 2.2915 2.4161 2.5102 2.6307 2.6405 2.6993 2.8692 2.9789 3.5207 3.5937 3.6020 3.6973 3.7555 3.8260 3.8303 3.8501 3.9785 4.0704 4.1007 4.1338 4.1921 4.2337 4.2854 4.3176 4.5795 4.5854 4.7159 4.7795 6.7795 6.8498 8.5903 8.6120 8.9743 9.1253 9.2558 9.3162 9.4179 9.4316 10.1486 10.2847 k = 0.3119 0.6192 0.3269 ( 10278 PWs) bands (ev): -7.9458 -7.9428 -7.8699 -7.8695 -7.8242 -7.8236 -7.6261 -7.6219 -2.8050 -2.8001 -2.7883 -2.7582 -1.3040 -1.2494 -1.1542 -1.1302 -1.0715 -1.0340 -0.3706 -0.3261 0.5808 0.6175 0.7796 0.9605 1.2236 1.3197 1.5455 1.6627 1.7247 1.8060 1.8130 2.0214 2.0653 2.1473 2.2915 2.4161 2.5102 2.6307 2.6405 2.6993 2.8692 2.9789 3.5207 3.5937 3.6020 3.6973 3.7555 3.8260 3.8303 3.8501 3.9785 4.0704 4.1007 4.1338 4.1921 4.2337 4.2854 4.3176 4.5795 4.5854 4.7159 4.7795 6.7795 6.8498 8.5903 8.6120 8.9743 9.1253 9.2558 9.3162 9.4179 9.4316 10.1486 10.2847 k = 0.2911 0.6133 0.3340 ( 10272 PWs) bands (ev): -7.9418 -7.9389 -7.8766 -7.8760 -7.8212 -7.8205 -7.6264 -7.6222 -2.8042 -2.7993 -2.7885 -2.7584 -1.3026 -1.2495 -1.1513 -1.1298 -1.0711 -1.0345 -0.3669 -0.3221 0.5916 0.6325 0.7630 0.9452 1.2172 1.3053 1.5467 1.6555 1.7189 1.7974 1.8183 2.0200 2.0643 2.1424 2.2927 2.4226 2.5004 2.6301 2.6468 2.6874 2.8605 2.9712 3.5226 3.5905 3.6024 3.6958 3.7590 3.8281 3.8322 3.8526 3.9889 4.0788 4.1026 4.1438 4.2027 4.2256 4.2813 4.3280 4.5713 4.5845 4.7127 4.7765 6.7914 6.8593 8.6068 8.6309 8.9840 9.1332 9.2639 9.3518 9.4380 9.4789 10.1782 10.3156 k = 0.2703 0.6074 0.3412 ( 10288 PWs) bands (ev): -7.9403 -7.9374 -7.8835 -7.8825 -7.8152 -7.8143 -7.6271 -7.6228 -2.8035 -2.7985 -2.7883 -2.7586 -1.3009 -1.2497 -1.1480 -1.1289 -1.0707 -1.0352 -0.3632 -0.3187 0.6011 0.6481 0.7475 0.9310 1.2087 1.2887 1.5474 1.6411 1.7208 1.7872 1.8245 2.0168 2.0645 2.1393 2.2954 2.4285 2.4922 2.6290 2.6532 2.6759 2.8519 2.9632 3.5246 3.5874 3.6028 3.6938 3.7617 3.8284 3.8345 3.8545 3.9995 4.0856 4.1064 4.1537 4.2127 4.2204 4.2796 4.3398 4.5566 4.5785 4.7133 4.7767 6.8038 6.8687 8.6273 8.6541 8.9926 9.1393 9.2658 9.3741 9.4698 9.5382 10.2027 10.3427 k = 0.2495 0.6016 0.3484 ( 10274 PWs) bands (ev): -7.9406 -7.9377 -7.8904 -7.8892 -7.8070 -7.8057 -7.6280 -7.6237 -2.8030 -2.7978 -2.7877 -2.7588 -1.2989 -1.2499 -1.1444 -1.1276 -1.0705 -1.0362 -0.3596 -0.3159 0.6096 0.6640 0.7332 0.9179 1.1976 1.2704 1.5470 1.6243 1.7252 1.7801 1.8282 2.0110 2.0674 2.1380 2.2994 2.4331 2.4865 2.6276 2.6577 2.6673 2.8431 2.9549 3.5269 3.5845 3.6032 3.6913 3.7634 3.8272 3.8371 3.8560 4.0104 4.0899 4.1131 4.1634 4.2145 4.2259 4.2801 4.3529 4.5384 4.5676 4.7157 4.7786 6.8166 6.8780 8.6517 8.6814 9.0013 9.1443 9.2677 9.3832 9.5164 9.5986 10.2227 10.3666 k = 0.2287 0.5957 0.3555 ( 10278 PWs) bands (ev): -7.9421 -7.9393 -7.8972 -7.8958 -7.7971 -7.7955 -7.6294 -7.6251 -2.8025 -2.7974 -2.7867 -2.7591 -1.2968 -1.2503 -1.1406 -1.1258 -1.0703 -1.0375 -0.3560 -0.3135 0.6170 0.6801 0.7205 0.9063 1.1835 1.2512 1.5452 1.6081 1.7283 1.7779 1.8293 2.0027 2.0732 2.1380 2.3044 2.4355 2.4842 2.6258 2.6518 2.6703 2.8343 2.9462 3.5292 3.5819 3.6037 3.6884 3.7644 3.8247 3.8396 3.8568 4.0212 4.0923 4.1219 4.1725 4.2131 4.2374 4.2825 4.3674 4.5182 4.5533 4.7175 4.7803 6.8300 6.8874 8.6796 8.7127 9.0112 9.1489 9.2712 9.3877 9.5678 9.6585 10.2370 10.3858 k = 0.2079 0.5898 0.3627 ( 10277 PWs) bands (ev): -7.9443 -7.9415 -7.9039 -7.9023 -7.7863 -7.7844 -7.6311 -7.6268 -2.8020 -2.7971 -2.7853 -2.7594 -1.2945 -1.2508 -1.1366 -1.1236 -1.0703 -1.0391 -0.3526 -0.3118 0.6235 0.6951 0.7106 0.8961 1.1665 1.2317 1.5418 1.5933 1.7291 1.7810 1.8280 1.9929 2.0814 2.1389 2.3103 2.4349 2.4861 2.6235 2.6433 2.6776 2.8252 2.9371 3.5317 3.5794 3.6043 3.6849 3.7647 3.8211 3.8420 3.8571 4.0318 4.0940 4.1314 4.1806 4.2137 4.2502 4.2865 4.3835 4.4971 4.5374 4.7172 4.7805 6.8438 6.8968 8.7105 8.7475 9.0230 9.1534 9.2770 9.3910 9.6198 9.7173 10.2428 10.3974 k = 0.1871 0.5840 0.3699 ( 10273 PWs) bands (ev): -7.9467 -7.9439 -7.9102 -7.9085 -7.7750 -7.7728 -7.6333 -7.6290 -2.8016 -2.7970 -2.7837 -2.7597 -1.2921 -1.2516 -1.1324 -1.1211 -1.0704 -1.0409 -0.3492 -0.3106 0.6291 0.6961 0.7161 0.8874 1.1471 1.2118 1.5372 1.5804 1.7287 1.7876 1.8249 1.9825 2.0910 2.1405 2.3167 2.4319 2.4913 2.6198 2.6368 2.6856 2.8160 2.9275 3.5343 3.5772 3.6051 3.6810 3.7647 3.8167 3.8440 3.8569 4.0421 4.0957 4.1408 4.1874 4.2163 4.2638 4.2924 4.4011 4.4758 4.5207 4.7139 4.7784 6.8580 6.9062 8.7437 8.7854 9.0374 9.1578 9.2853 9.3946 9.6705 9.7743 10.2378 10.3679 k = 0.1663 0.5781 0.3770 ( 10257 PWs) bands (ev): -7.9490 -7.9464 -7.9162 -7.9144 -7.7636 -7.7612 -7.6360 -7.6317 -2.8012 -2.7970 -2.7818 -2.7601 -1.2895 -1.2526 -1.1281 -1.1183 -1.0706 -1.0431 -0.3458 -0.3099 0.6339 0.6882 0.7318 0.8802 1.1264 1.1918 1.5319 1.5689 1.7284 1.7948 1.8215 1.9719 2.1011 2.1425 2.3235 2.4274 2.4989 2.6144 2.6334 2.6938 2.8068 2.9174 3.5371 3.5751 3.6061 3.6766 3.7645 3.8116 3.8457 3.8565 4.0519 4.0975 4.1497 4.1928 4.2207 4.2767 4.3015 4.4200 4.4548 4.5045 4.7071 4.7733 6.8723 6.9154 8.7786 8.8255 9.0548 9.1620 9.2958 9.3988 9.7192 9.8293 10.2228 10.3314 k = 0.1456 0.5722 0.3842 ( 10262 PWs) bands (ev): -7.9512 -7.9487 -7.9217 -7.9199 -7.7523 -7.7497 -7.6391 -7.6348 -2.8008 -2.7970 -2.7799 -2.7606 -1.2869 -1.2538 -1.1237 -1.1153 -1.0710 -1.0455 -0.3425 -0.3097 0.6381 0.6810 0.7479 0.8744 1.1054 1.1714 1.5267 1.5588 1.7290 1.7980 1.8219 1.9614 2.1112 2.1448 2.3306 2.4223 2.5078 2.6078 2.6327 2.7018 2.7980 2.9067 3.5399 3.5731 3.6075 3.6718 3.7644 3.8062 3.8469 3.8558 4.0610 4.0993 4.1579 4.1970 4.2265 4.2868 4.3154 4.4306 4.4437 4.4897 4.6966 4.7649 6.8864 6.9243 8.8144 8.8665 9.0752 9.1658 9.3078 9.4041 9.7655 9.8819 10.2013 10.2952 k = 0.1248 0.5664 0.3914 ( 10260 PWs) bands (ev): -7.9532 -7.9508 -7.9267 -7.9249 -7.7414 -7.7385 -7.6426 -7.6385 -2.8004 -2.7972 -2.7779 -2.7612 -1.2842 -1.2552 -1.1195 -1.1122 -1.0714 -1.0482 -0.3392 -0.3101 0.6416 0.6749 0.7639 0.8698 1.0856 1.1508 1.5220 1.5498 1.7305 1.7945 1.8286 1.9513 2.1206 2.1471 2.3379 2.4168 2.5173 2.6010 2.6341 2.7087 2.7905 2.8955 3.5428 3.5712 3.6093 3.6666 3.7644 3.8007 3.8478 3.8549 4.0694 4.1012 4.1653 4.2002 4.2334 4.2944 4.3327 4.4123 4.4608 4.4801 4.6826 4.7533 6.9000 6.9326 8.8504 8.9066 9.0983 9.1689 9.3203 9.4108 9.8092 9.9313 10.1775 10.2611 k = 0.1040 0.5605 0.3986 ( 10262 PWs) bands (ev): -7.9547 -7.9525 -7.9311 -7.9294 -7.7309 -7.7279 -7.6466 -7.6426 -2.8001 -2.7973 -2.7759 -2.7619 -1.2814 -1.2569 -1.1154 -1.1091 -1.0717 -1.0512 -0.3359 -0.3109 0.6445 0.6698 0.7792 0.8661 1.0681 1.1303 1.5181 1.5418 1.7328 1.7877 1.8383 1.9413 2.1291 2.1494 2.3452 2.4111 2.5269 2.5944 2.6373 2.7131 2.7855 2.8838 3.5456 3.5693 3.6116 3.6610 3.7648 3.7952 3.8484 3.8541 4.0770 4.1028 4.1719 4.2023 4.2413 4.3009 4.3496 4.3936 4.4629 4.4923 4.6655 4.7385 6.9127 6.9399 8.8857 8.9438 9.1234 9.1714 9.3324 9.4186 9.8502 9.9759 10.1555 10.2311 k = 0.0832 0.5546 0.4057 ( 10275 PWs) bands (ev): -7.9558 -7.9539 -7.9348 -7.9333 -7.7210 -7.7180 -7.6510 -7.6471 -2.7997 -2.7975 -2.7740 -2.7627 -1.2786 -1.2587 -1.1116 -1.1062 -1.0719 -1.0543 -0.3327 -0.3122 0.6471 0.6656 0.7938 0.8628 1.0540 1.1104 1.5154 1.5348 1.7358 1.7801 1.8490 1.9315 2.1364 2.1513 2.3524 2.4053 2.5360 2.5882 2.6424 2.7134 2.7848 2.8715 3.5485 3.5674 3.6145 3.6552 3.7655 3.7900 3.8488 3.8532 4.0838 4.1040 4.1780 4.2034 4.2502 4.3068 4.3614 4.3772 4.4622 4.5153 4.6458 4.7208 6.9242 6.9459 8.9193 8.9756 9.1485 9.1740 9.3443 9.4262 9.8884 10.0107 10.1422 10.2074 k = 0.0624 0.5488 0.4129 ( 10269 PWs) bands (ev): -7.9566 -7.9549 -7.9378 -7.9365 -7.7119 -7.7090 -7.6555 -7.6520 -2.7994 -2.7978 -2.7721 -2.7636 -1.2759 -1.2608 -1.1083 -1.1037 -1.0717 -1.0576 -0.3295 -0.3139 0.6493 0.6622 0.8073 0.8591 1.0445 1.0915 1.5138 1.5287 1.7393 1.7725 1.8599 1.9217 2.1424 2.1527 2.3596 2.3993 2.5445 2.5823 2.6494 2.7089 2.7892 2.8589 3.5513 3.5655 3.6179 3.6492 3.7666 3.7851 3.8492 3.8524 4.0896 4.1046 4.1835 4.2033 4.2601 4.3113 4.3581 4.3710 4.4706 4.5389 4.6249 4.7005 6.9341 6.9504 8.9501 8.9997 9.1704 9.1772 9.3573 9.4312 9.9234 10.0268 10.1459 10.1946 k = 0.0416 0.5429 0.4201 ( 10264 PWs) bands (ev): -7.9569 -7.9557 -7.9400 -7.9390 -7.7040 -7.7015 -7.6599 -7.6569 -2.7991 -2.7980 -2.7704 -2.7647 -1.2731 -1.2630 -1.1054 -1.1020 -1.0709 -1.0610 -0.3265 -0.3159 0.6513 0.6594 0.8196 0.8544 1.0403 1.0743 1.5134 1.5236 1.7433 1.7654 1.8707 1.9119 2.1470 2.1535 2.3667 2.3931 2.5521 2.5766 2.6582 2.7006 2.7975 2.8460 3.5540 3.5634 3.6220 3.6433 3.7683 3.7806 3.8495 3.8516 4.0945 4.1045 4.1885 4.2021 4.2709 4.3118 4.3500 4.3678 4.4881 4.5577 4.6076 4.6783 6.9422 6.9531 8.9769 9.0143 9.1816 9.1857 9.3731 9.4309 9.9541 10.0242 10.1595 10.2027 k = 0.0208 0.5371 0.4272 ( 10260 PWs) bands (ev): -7.9570 -7.9563 -7.9412 -7.9406 -7.6979 -7.6962 -7.6631 -7.6612 -2.7988 -2.7983 -2.7687 -2.7659 -1.2705 -1.2654 -1.1032 -1.1014 -1.0693 -1.0642 -0.3235 -0.3182 0.6531 0.6571 0.8307 0.8482 1.0418 1.0596 1.5142 1.5194 1.7479 1.7589 1.8813 1.9019 2.1503 2.1535 2.3736 2.3868 2.5590 2.5709 2.6683 2.6903 2.8082 2.8330 3.5565 3.5613 3.6267 3.6374 3.7706 3.7767 3.8499 3.8509 4.0985 4.1034 4.1929 4.1998 4.2825 4.3054 4.3495 4.3615 4.5106 4.5554 4.6104 4.6547 6.9482 6.9536 8.9982 9.0184 9.1872 9.1924 9.3915 9.4236 9.9792 10.0131 10.1728 10.2172 k = 0.0000 0.5312 0.4344 ( 10254 PWs) bands (ev): -7.9568 -7.9568 -7.9414 -7.9414 -7.6949 -7.6949 -7.6637 -7.6637 -2.7985 -2.7985 -2.7672 -2.7672 -1.2679 -1.2679 -1.1018 -1.1018 -1.0670 -1.0670 -0.3207 -0.3207 0.6550 0.6550 0.8402 0.8402 1.0485 1.0485 1.5162 1.5162 1.7531 1.7531 1.8917 1.8917 2.1525 2.1525 2.3803 2.3803 2.5652 2.5652 2.6793 2.6793 2.8203 2.8203 3.5590 3.5590 3.6319 3.6319 3.7734 3.7734 3.8504 3.8504 4.1015 4.1015 4.1967 4.1967 4.2945 4.2945 4.3546 4.3546 4.5347 4.5347 4.6309 4.6309 6.9521 6.9521 9.0126 9.0126 9.1918 9.1918 9.4097 9.4097 9.9984 9.9984 10.1946 10.1946 k = 0.0000 0.5312 0.4344 ( 10254 PWs) bands (ev): -7.9568 -7.9568 -7.9414 -7.9414 -7.6949 -7.6949 -7.6637 -7.6637 -2.7985 -2.7985 -2.7672 -2.7672 -1.2679 -1.2679 -1.1018 -1.1018 -1.0670 -1.0670 -0.3207 -0.3207 0.6550 0.6550 0.8402 0.8402 1.0485 1.0485 1.5162 1.5162 1.7531 1.7531 1.8917 1.8917 2.1525 2.1525 2.3803 2.3803 2.5652 2.5652 2.6793 2.6793 2.8203 2.8203 3.5590 3.5590 3.6319 3.6319 3.7734 3.7734 3.8504 3.8504 4.1015 4.1015 4.1967 4.1967 4.2945 4.2945 4.3546 4.3546 4.5347 4.5347 4.6309 4.6309 6.9521 6.9521 9.0126 9.0126 9.1918 9.1918 9.4097 9.4097 9.9984 9.9984 10.1946 10.1946 k = 0.0096 0.5175 0.4511 ( 10264 PWs) bands (ev): -7.9566 -7.9564 -7.9412 -7.9411 -7.6951 -7.6951 -7.6640 -7.6639 -2.7992 -2.7978 -2.7673 -2.7671 -1.2698 -1.2657 -1.1023 -1.1012 -1.0676 -1.0663 -0.3235 -0.3204 0.6479 0.6573 0.8246 0.8432 1.0366 1.0736 1.5097 1.5245 1.7470 1.7566 1.8908 1.8957 2.1506 2.1526 2.3725 2.3890 2.5603 2.5698 2.6789 2.6831 2.8191 2.8238 3.5583 3.5592 3.6321 3.6336 3.7736 3.7745 3.8506 3.8508 4.0983 4.1043 4.1890 4.2015 4.2956 4.2973 4.3539 4.3590 4.5344 4.5350 4.6301 4.6308 6.9460 6.9525 8.9691 9.0459 9.1437 9.2384 9.3983 9.4256 9.9871 9.9975 10.1809 10.2100 k = 0.0192 0.5039 0.4678 ( 10274 PWs) bands (ev): -7.9558 -7.9555 -7.9404 -7.9404 -7.6957 -7.6956 -7.6649 -7.6646 -2.7997 -2.7969 -2.7673 -2.7670 -1.2715 -1.2634 -1.1026 -1.1005 -1.0679 -1.0653 -0.3286 -0.3225 0.6360 0.6547 0.8018 0.8306 1.0409 1.1064 1.5049 1.5338 1.7393 1.7572 1.8933 1.9020 2.1475 2.1507 2.3665 2.3980 2.5555 2.5741 2.6819 2.6902 2.8207 2.8293 3.5573 3.5591 3.6340 3.6375 3.7751 3.7769 3.8515 3.8520 4.0949 4.1065 4.1794 4.2028 4.3006 4.3034 4.3569 4.3667 4.5341 4.5353 4.6285 4.6298 6.9345 6.9474 8.9213 9.0463 9.1184 9.2704 9.3986 9.4446 9.9673 9.9852 10.1685 10.2230 k = 0.0288 0.4902 0.4845 ( 10276 PWs) bands (ev): -7.9546 -7.9541 -7.9392 -7.9391 -7.6967 -7.6966 -7.6663 -7.6659 -2.8001 -2.7960 -2.7673 -2.7668 -1.2730 -1.2609 -1.1028 -1.0998 -1.0679 -1.0642 -0.3360 -0.3269 0.6200 0.6475 0.7754 0.8059 1.0578 1.1429 1.5017 1.5434 1.7313 1.7555 1.8991 1.9101 2.1437 2.1468 2.3624 2.4068 2.5508 2.5777 2.6883 2.7003 2.8251 2.8365 3.5559 3.5588 3.6373 3.6434 3.7781 3.7805 3.8531 3.8541 4.0914 4.1079 4.1693 4.2013 4.3086 4.3122 4.3638 4.3771 4.5339 4.5359 4.6261 4.6279 6.9176 6.9368 8.8716 9.0028 9.1256 9.2747 9.4202 9.4672 9.9443 9.9665 10.1557 10.2291 k = 0.0385 0.4765 0.5012 ( 10284 PWs) bands (ev): -7.9528 -7.9522 -7.9375 -7.9374 -7.6981 -7.6980 -7.6682 -7.6676 -2.8004 -2.7950 -2.7673 -2.7666 -1.2742 -1.2583 -1.1028 -1.0990 -1.0677 -1.0629 -0.3455 -0.3336 0.6003 0.6361 0.7473 0.7744 1.0815 1.1805 1.4996 1.5518 1.7248 1.7525 1.9075 1.9194 2.1397 2.1414 2.3605 2.4148 2.5466 2.5804 2.6977 2.7132 2.8322 2.8448 3.5545 3.5586 3.6416 3.6509 3.7824 3.7854 3.8557 3.8573 4.0880 4.1084 4.1596 4.1981 4.3184 4.3231 4.3741 4.3894 4.5339 4.5368 4.6232 4.6251 6.8957 6.9211 8.8215 8.9487 9.1311 9.2555 9.4564 9.4939 9.9230 9.9462 10.1421 10.2292 k = 0.0481 0.4629 0.5180 ( 10276 PWs) bands (ev): -7.9505 -7.9497 -7.9353 -7.9352 -7.6998 -7.6997 -7.6706 -7.6699 -2.8005 -2.7939 -2.7672 -2.7664 -1.2751 -1.2556 -1.1026 -1.0982 -1.0672 -1.0615 -0.3568 -0.3424 0.5779 0.6210 0.7184 0.7398 1.1079 1.2173 1.4981 1.5576 1.7217 1.7496 1.9179 1.9297 2.1348 2.1359 2.3604 2.4221 2.5430 2.5820 2.7098 2.7284 2.8420 2.8540 3.5530 3.5584 3.6465 3.6599 3.7879 3.7914 3.8595 3.8617 4.0847 4.1076 4.1513 4.1943 4.3289 4.3359 4.3872 4.4028 4.5345 4.5383 4.6200 4.6215 6.8692 6.9004 8.7720 8.8933 9.1250 9.2230 9.4943 9.5241 9.9069 9.9285 10.1283 10.2252 k = 0.0577 0.4492 0.5347 ( 10276 PWs) bands (ev): -7.9476 -7.9468 -7.9326 -7.9325 -7.7020 -7.7018 -7.6735 -7.6727 -2.8005 -2.7928 -2.7670 -2.7662 -1.2756 -1.2528 -1.1022 -1.0973 -1.0665 -1.0601 -0.3698 -0.3531 0.5534 0.6028 0.6891 0.7040 1.1345 1.2516 1.4969 1.5600 1.7236 1.7481 1.9298 1.9408 2.1280 2.1325 2.3619 2.4287 2.5401 2.5826 2.7241 2.7454 2.8537 2.8638 3.5519 3.5584 3.6517 3.6695 3.7945 3.7988 3.8647 3.8678 4.0817 4.1055 4.1448 4.1906 4.3395 4.3504 4.4025 4.4165 4.5360 4.5404 4.6166 4.6171 6.8384 6.8753 8.7237 8.8386 9.1065 9.1818 9.5269 9.5560 9.8987 9.9159 10.1156 10.2187 k = 0.0673 0.4355 0.5514 ( 10270 PWs) bands (ev): -7.9443 -7.9433 -7.9295 -7.9293 -7.7045 -7.7043 -7.6770 -7.6760 -2.8004 -2.7916 -2.7668 -2.7660 -1.2759 -1.2501 -1.1016 -1.0964 -1.0655 -1.0586 -0.3842 -0.3655 0.5277 0.5823 0.6595 0.6682 1.1591 1.2815 1.4958 1.5597 1.7307 1.7491 1.9425 1.9526 2.1213 2.1297 2.3646 2.4347 2.5381 2.5822 2.7402 2.7637 2.8669 2.8738 3.5510 3.5586 3.6568 3.6792 3.8019 3.8077 3.8718 3.8757 4.0791 4.1023 4.1404 4.1874 4.3495 4.3660 4.4194 4.4297 4.5390 4.5431 4.6121 4.6137 6.8039 6.8461 8.6772 8.7853 9.0766 9.1338 9.5505 9.5875 9.8998 9.9097 10.1059 10.2106 k = 0.0769 0.4219 0.5681 ( 10274 PWs) bands (ev): -7.9405 -7.9393 -7.9260 -7.9257 -7.7074 -7.7072 -7.6809 -7.6798 -2.8002 -2.7904 -2.7666 -2.7657 -1.2759 -1.2473 -1.1007 -1.0956 -1.0643 -1.0571 -0.3997 -0.3793 0.5015 0.5599 0.6298 0.6328 1.1802 1.3041 1.4955 1.5598 1.7422 1.7532 1.9559 1.9649 2.1153 2.1277 2.3682 2.4402 2.5370 2.5811 2.7576 2.7827 2.8810 2.8840 3.5507 3.5589 3.6617 3.6882 3.8099 3.8185 3.8811 3.8855 4.0769 4.0983 4.1381 4.1850 4.3586 4.3821 4.4375 4.4417 4.5440 4.5462 4.6066 4.6118 6.7662 6.8133 8.6329 8.7339 9.0371 9.0804 9.5634 9.6169 9.9101 9.9102 10.1011 10.2024 k = 0.0865 0.4082 0.5848 ( 10268 PWs) bands (ev): -7.9362 -7.9349 -7.9220 -7.9217 -7.7107 -7.7104 -7.6852 -7.6840 -2.7998 -2.7891 -2.7664 -2.7655 -1.2756 -1.2447 -1.0996 -1.0946 -1.0629 -1.0556 -0.4160 -0.3943 0.4753 0.5363 0.5983 0.6002 1.1960 1.3169 1.4970 1.5641 1.7566 1.7604 1.9695 1.9778 2.1102 2.1264 2.3725 2.4455 2.5369 2.5796 2.7759 2.8020 2.8940 2.8953 3.5509 3.5595 3.6662 3.6957 3.8183 3.8315 3.8926 3.8972 4.0753 4.0943 4.1375 4.1834 4.3662 4.3976 4.4527 4.4566 4.5489 4.5512 4.6013 4.6120 6.7260 6.7775 8.5910 8.6846 8.9899 9.0229 9.5660 9.6428 9.9164 9.9272 10.1031 10.1955 k = 0.0962 0.3945 0.6015 ( 10254 PWs) bands (ev): -7.9314 -7.9300 -7.9176 -7.9173 -7.7143 -7.7141 -7.6900 -7.6887 -2.7993 -2.7879 -2.7661 -2.7653 -1.2749 -1.2421 -1.0984 -1.0936 -1.0614 -1.0541 -0.4329 -0.4101 0.4496 0.5120 0.5648 0.5708 1.2053 1.3183 1.5018 1.5750 1.7704 1.7723 1.9832 1.9911 2.1062 2.1258 2.3774 2.4505 2.5376 2.5780 2.7947 2.8211 2.9038 2.9093 3.5516 3.5602 3.6699 3.7011 3.8270 3.8468 3.9065 3.9106 4.0745 4.0907 4.1388 4.1827 4.3722 4.4107 4.4635 4.4765 4.5503 4.5596 4.5971 4.6150 6.6837 6.7391 8.5516 8.6376 8.9371 8.9625 9.5601 9.6644 9.9266 9.9484 10.1131 10.1916 k = 0.1058 0.3809 0.6182 ( 10254 PWs) bands (ev): -7.9262 -7.9247 -7.9128 -7.9124 -7.7183 -7.7180 -7.6953 -7.6938 -2.7987 -2.7866 -2.7658 -2.7651 -1.2740 -1.2398 -1.0969 -1.0925 -1.0598 -1.0527 -0.4500 -0.4265 0.4247 0.4876 0.5327 0.5418 1.2073 1.3091 1.5106 1.5926 1.7827 1.7882 1.9969 2.0048 2.1034 2.1258 2.3829 2.4554 2.5392 2.5764 2.8134 2.8398 2.9132 2.9226 3.5529 3.5611 3.6728 3.7043 3.8362 3.8644 3.9222 3.9253 4.0746 4.0878 4.1421 4.1829 4.3767 4.4198 4.4758 4.4968 4.5502 4.5664 4.5966 4.6210 6.6401 6.6988 8.5148 8.5931 8.8803 8.9003 9.5481 9.6812 9.9390 9.9716 10.1309 10.1923 k = 0.1154 0.3672 0.6349 ( 10262 PWs) bands (ev): -7.9206 -7.9189 -7.9076 -7.9072 -7.7226 -7.7223 -7.7010 -7.6994 -2.7980 -2.7854 -2.7655 -2.7650 -1.2728 -1.2376 -1.0952 -1.0913 -1.0583 -1.0514 -0.4672 -0.4433 0.4009 0.4634 0.5020 0.5136 1.2024 1.2921 1.5236 1.6149 1.7965 1.8037 2.0102 2.0186 2.1018 2.1265 2.3890 2.4601 2.5415 2.5750 2.8319 2.8576 2.9222 2.9349 3.5548 3.5622 3.6748 3.7053 3.8458 3.8836 3.9395 3.9408 4.0759 4.0858 4.1477 4.1838 4.3801 4.4243 4.4896 4.5162 4.5498 4.5683 4.6031 4.6296 6.5958 6.6570 8.4806 8.5511 8.8211 8.8373 9.5320 9.6928 9.9523 9.9960 10.1552 10.1986 k = 0.1250 0.3536 0.6516 ( 10260 PWs) bands (ev): -7.9146 -7.9128 -7.9021 -7.9017 -7.7273 -7.7270 -7.7070 -7.7054 -2.7971 -2.7843 -2.7651 -2.7648 -1.2713 -1.2356 -1.0933 -1.0900 -1.0567 -1.0502 -0.4841 -0.4601 0.3785 0.4396 0.4730 0.4862 1.1918 1.2699 1.5403 1.6395 1.8114 1.8183 2.0232 2.0322 2.1013 2.1277 2.3957 2.4647 2.5444 2.5741 2.8496 2.8745 2.9307 2.9458 3.5573 3.5636 3.6757 3.7044 3.8559 3.9035 3.9566 3.9579 4.0784 4.0852 4.1559 4.1854 4.3829 4.4253 4.5031 4.5292 4.5549 4.5677 4.6148 4.6397 6.5513 6.6143 8.4490 8.5118 8.7609 8.7746 9.5136 9.6986 9.9664 10.0218 10.1836 10.2107 k = 0.1346 0.3399 0.6683 ( 10256 PWs) bands (ev): -7.9082 -7.9063 -7.8963 -7.8958 -7.7323 -7.7320 -7.7135 -7.7117 -2.7962 -2.7832 -2.7648 -2.7647 -1.2695 -1.2339 -1.0913 -1.0886 -1.0552 -1.0492 -0.5005 -0.4768 0.3575 0.4163 0.4460 0.4601 1.1770 1.2447 1.5594 1.6646 1.8268 1.8318 2.0356 2.0453 2.1020 2.1293 2.4029 2.4690 2.5479 2.5738 2.8664 2.8902 2.9387 2.9553 3.5602 3.5653 3.6756 3.7018 3.8662 3.9231 3.9720 3.9769 4.0823 4.0864 4.1669 4.1876 4.3857 4.4243 4.5131 4.5304 4.5691 4.5708 4.6284 4.6503 6.5074 6.5713 8.4199 8.4751 8.7009 8.7129 9.4945 9.6980 9.9821 10.0497 10.2142 10.2282 k = 0.1442 0.3262 0.6850 ( 10248 PWs) bands (ev): -7.9014 -7.8994 -7.8901 -7.8897 -7.7376 -7.7373 -7.7202 -7.7184 -2.7952 -2.7822 -2.7646 -2.7645 -1.2675 -1.2325 -1.0891 -1.0871 -1.0539 -1.0484 -0.5163 -0.4931 0.3381 0.3936 0.4215 0.4355 1.1594 1.2181 1.5800 1.6887 1.8421 1.8442 2.0474 2.0574 2.1039 2.1312 2.4106 2.4730 2.5519 2.5742 2.8820 2.9047 2.9462 2.9633 3.5636 3.5673 3.6745 3.6979 3.8764 3.9409 3.9863 3.9961 4.0875 4.0904 4.1804 4.1902 4.3893 4.4222 4.5172 4.5269 4.5755 4.5905 4.6425 4.6606 6.4646 6.5285 8.3932 8.4412 8.6420 8.6530 9.4757 9.6909 10.0003 10.0795 10.2454 10.2503 k = 0.1538 0.3126 0.7017 ( 10256 PWs) bands (ev): -7.8944 -7.8922 -7.8837 -7.8832 -7.7432 -7.7428 -7.7274 -7.7255 -2.7941 -2.7813 -2.7646 -2.7642 -1.2653 -1.2314 -1.0868 -1.0854 -1.0526 -1.0477 -0.5311 -0.5088 0.3203 0.3715 0.3995 0.4125 1.1404 1.1912 1.6011 1.7110 1.8557 1.8569 2.0584 2.0681 2.1071 2.1334 2.4187 2.4765 2.5563 2.5753 2.8961 2.9179 2.9532 2.9697 3.5675 3.5697 3.6725 3.6928 3.8864 3.9560 3.9986 4.0154 4.0938 4.0984 4.1932 4.1957 4.3941 4.4201 4.5163 4.5224 4.5856 4.6098 4.6563 4.6704 6.4235 6.4865 8.3687 8.4102 8.5852 8.5957 9.4582 9.6779 10.0217 10.1112 10.2763 10.2764 k = 0.1635 0.2989 0.7185 ( 10260 PWs) bands (ev): -7.8870 -7.8847 -7.8771 -7.8765 -7.7490 -7.7487 -7.7348 -7.7328 -2.7929 -2.7806 -2.7645 -2.7639 -1.2630 -1.2307 -1.0845 -1.0837 -1.0516 -1.0473 -0.5449 -0.5238 0.3041 0.3501 0.3803 0.3914 1.1210 1.1648 1.6223 1.7306 1.8663 1.8709 2.0684 2.0772 2.1116 2.1359 2.4270 2.4795 2.5610 2.5771 2.9088 2.9298 2.9596 2.9747 3.5717 3.5726 3.6695 3.6869 3.8959 3.9675 4.0084 4.0346 4.1005 4.1111 4.1967 4.2118 4.4005 4.4188 4.5129 4.5178 4.5966 4.6273 4.6696 4.6795 6.3849 6.4458 8.3464 8.3820 8.5311 8.5417 9.4429 9.6597 10.0467 10.1440 10.3058 10.3068 k = 0.1731 0.2852 0.7352 ( 10268 PWs) bands (ev): -7.8793 -7.8769 -7.8702 -7.8696 -7.7552 -7.7549 -7.7424 -7.7405 -2.7917 -2.7800 -2.7644 -2.7637 -1.2604 -1.2303 -1.0822 -1.0819 -1.0507 -1.0470 -0.5574 -0.5378 0.2896 0.3299 0.3635 0.3724 1.1020 1.1396 1.6428 1.7470 1.8763 1.8838 2.0774 2.0844 2.1171 2.1384 2.4353 2.4820 2.5659 2.5795 2.9200 2.9404 2.9655 2.9782 3.5758 3.5762 3.6659 3.6803 3.9045 3.9753 4.0162 4.0535 4.1069 4.1276 4.2011 4.2269 4.4088 4.4193 4.5087 4.5133 4.6067 4.6419 4.6820 4.6882 6.3491 6.4069 8.3263 8.3569 8.4805 8.4916 9.4302 9.6377 10.0752 10.1772 10.3372 10.3378 k = 0.1827 0.2716 0.7519 ( 10260 PWs) bands (ev): -7.8714 -7.8689 -7.8632 -7.8625 -7.7615 -7.7613 -7.7504 -7.7484 -2.7904 -2.7796 -2.7643 -2.7635 -1.2578 -1.2302 -1.0800 -1.0799 -1.0501 -1.0470 -0.5685 -0.5507 0.2768 0.3113 0.3491 0.3557 1.0841 1.1160 1.6626 1.7600 1.8859 1.8953 2.0854 2.0901 2.1233 2.1410 2.4435 2.4840 2.5708 2.5823 2.9297 2.9498 2.9708 2.9805 3.5796 3.5811 3.6616 3.6732 3.9124 3.9793 4.0233 4.0716 4.1125 4.1464 4.2066 4.2396 4.4189 4.4227 4.5046 4.5093 4.6150 4.6523 4.6934 4.6968 6.3169 6.3705 8.3082 8.3348 8.4341 8.4458 9.4206 9.6131 10.1070 10.2096 10.3682 10.3717 k = 0.1923 0.2579 0.7686 ( 10258 PWs) bands (ev): -7.8633 -7.8607 -7.8559 -7.8553 -7.7681 -7.7679 -7.7585 -7.7565 -2.7892 -2.7794 -2.7642 -2.7633 -1.2551 -1.2305 -1.0781 -1.0777 -1.0496 -1.0471 -0.5782 -0.5624 0.2657 0.2944 0.3367 0.3413 1.0678 1.0945 1.6812 1.7694 1.8950 1.9054 2.0921 2.0948 2.1294 2.1435 2.4512 2.4853 2.5757 2.5854 2.9381 2.9579 2.9754 2.9816 3.5838 3.5862 3.6567 3.6657 3.9196 3.9801 4.0305 4.0875 4.1177 4.1653 4.2134 4.2485 4.4295 4.4304 4.5010 4.5057 4.6212 4.6582 4.7035 4.7057 6.2886 6.3370 8.2923 8.3158 8.3922 8.4050 9.4143 9.5870 10.1415 10.2404 10.4003 10.4067 k = 0.2019 0.2442 0.7853 ( 10252 PWs) bands (ev): -7.8550 -7.8523 -7.8486 -7.8479 -7.7749 -7.7748 -7.7668 -7.7648 -2.7879 -2.7794 -2.7641 -2.7632 -1.2523 -1.2312 -1.0763 -1.0756 -1.0494 -1.0475 -0.5863 -0.5727 0.2564 0.2795 0.3265 0.3293 1.0536 1.0755 1.6985 1.7753 1.9036 1.9139 2.0976 2.0987 2.1351 2.1459 2.4583 2.4862 2.5803 2.5884 2.9454 2.9649 2.9793 2.9817 3.5886 3.5916 3.6514 3.6580 3.9262 3.9784 4.0382 4.0980 4.1256 4.1824 4.2213 4.2535 4.4395 4.4427 4.4982 4.5026 4.6254 4.6599 4.7122 4.7141 6.2648 6.3070 8.2786 8.3001 8.3555 8.3695 9.4114 9.5606 10.1780 10.2686 10.4335 10.4415 k = 0.2115 0.2306 0.8020 ( 10256 PWs) bands (ev): -7.8466 -7.8438 -7.8412 -7.8403 -7.7819 -7.7818 -7.7752 -7.7733 -2.7867 -2.7796 -2.7639 -2.7631 -1.2495 -1.2322 -1.0746 -1.0738 -1.0493 -1.0479 -0.5927 -0.5816 0.2489 0.2668 0.3181 0.3196 1.0419 1.0591 1.7145 1.7779 1.9114 1.9206 2.1019 2.1020 2.1401 2.1480 2.4647 2.4865 2.5846 2.5911 2.9516 2.9705 2.9811 2.9823 3.5938 3.5972 3.6457 3.6502 3.9324 3.9751 4.0462 4.1005 4.1383 4.1960 4.2298 4.2552 4.4516 4.4552 4.4962 4.5001 4.6280 4.6582 4.7194 4.7214 6.2458 6.2808 8.2674 8.2876 8.3244 8.3397 9.4121 9.5347 10.2152 10.2933 10.4672 10.4748 k = 0.2212 0.2169 0.8187 ( 10260 PWs) bands (ev): -7.8381 -7.8353 -7.8336 -7.8327 -7.7891 -7.7890 -7.7837 -7.7819 -2.7854 -2.7800 -2.7638 -2.7631 -1.2468 -1.2336 -1.0730 -1.0723 -1.0493 -1.0484 -0.5974 -0.5889 0.2434 0.2565 0.3116 0.3123 1.0329 1.0457 1.7289 1.7776 1.9181 1.9256 2.1046 2.1052 2.1442 2.1497 2.4703 2.4862 2.5884 2.5933 2.9571 2.9745 2.9803 2.9843 3.5996 3.6030 3.6398 3.6423 3.9383 3.9708 4.0544 4.0979 4.1530 4.2042 4.2381 4.2553 4.4642 4.4669 4.4947 4.4978 4.6298 4.6542 4.7251 4.7270 6.2319 6.2588 8.2590 8.2784 8.2993 8.3157 9.4163 9.5101 10.2514 10.3135 10.4995 10.5051 k = 0.2308 0.2033 0.8354 ( 10272 PWs) bands (ev): -7.8296 -7.8269 -7.8258 -7.8250 -7.7965 -7.7963 -7.7922 -7.7905 -2.7843 -2.7806 -2.7636 -2.7631 -1.2442 -1.2352 -1.0717 -1.0712 -1.0494 -1.0488 -0.6004 -0.5947 0.2399 0.2484 0.3070 0.3072 1.0269 1.0353 1.7417 1.7747 1.9235 1.9287 2.1066 2.1073 2.1473 2.1508 2.4750 2.4854 2.5914 2.5947 2.9619 2.9752 2.9812 2.9855 3.6058 3.6089 3.6337 3.6345 3.9440 3.9659 4.0627 4.0929 4.1677 4.2059 4.2453 4.2554 4.4754 4.4770 4.4935 4.4957 4.6315 4.6488 4.7293 4.7309 6.2232 6.2415 8.2537 8.2715 8.2814 8.2974 9.4241 9.4875 10.2842 10.3274 10.5279 10.5306 k = 0.2404 0.1896 0.8521 ( 10266 PWs) bands (ev): -7.8213 -7.8192 -7.8175 -7.8172 -7.8039 -7.8035 -7.8006 -7.7992 -2.7832 -2.7813 -2.7634 -2.7632 -1.2416 -1.2371 -1.0709 -1.0705 -1.0495 -1.0492 -0.6016 -0.5987 0.2386 0.2428 0.3042 0.3042 1.0241 1.0283 1.7528 1.7695 1.9273 1.9301 2.1080 2.1084 2.1495 2.1512 2.4788 2.4839 2.5937 2.5953 2.9662 2.9730 2.9833 2.9857 3.6125 3.6150 3.6269 3.6275 3.9496 3.9606 4.0709 4.0863 4.1812 4.2015 4.2508 4.2554 4.4841 4.4846 4.4921 4.4933 4.6340 4.6431 4.7320 4.7329 6.2198 6.2291 8.2523 8.2627 8.2751 8.2847 9.4352 9.4672 10.3104 10.3325 10.5486 10.5490 k = 0.2500 0.1759 0.8688 ( 10280 PWs) bands (ev): -7.8146 -7.8146 -7.8106 -7.8106 -7.8095 -7.8095 -7.8065 -7.8065 -2.7822 -2.7822 -2.7633 -2.7633 -1.2393 -1.2393 -1.0704 -1.0704 -1.0494 -1.0494 -0.6010 -0.6010 0.2395 0.2395 0.3032 0.3032 1.0245 1.0245 1.7621 1.7621 1.9296 1.9296 2.1086 2.1086 2.1508 2.1508 2.4818 2.4818 2.5950 2.5950 2.9699 2.9699 2.9849 2.9849 3.6193 3.6193 3.6214 3.6214 3.9552 3.9552 4.0789 4.0789 4.1928 4.1928 4.2541 4.2541 4.4894 4.4894 4.4898 4.4898 4.6379 4.6379 4.7332 4.7332 6.2218 6.2218 8.2552 8.2552 8.2773 8.2773 9.4497 9.4497 10.3270 10.3270 10.5563 10.5563 k = 0.2500 0.1759 0.8688 ( 10280 PWs) bands (ev): -7.8146 -7.8146 -7.8106 -7.8106 -7.8095 -7.8095 -7.8065 -7.8065 -2.7822 -2.7822 -2.7633 -2.7633 -1.2393 -1.2393 -1.0704 -1.0704 -1.0494 -1.0494 -0.6010 -0.6010 0.2395 0.2395 0.3032 0.3032 1.0245 1.0245 1.7621 1.7621 1.9296 1.9296 2.1086 2.1086 2.1508 2.1508 2.4818 2.4818 2.5950 2.5950 2.9699 2.9699 2.9849 2.9849 3.6193 3.6193 3.6214 3.6214 3.9552 3.9552 4.0789 4.0789 4.1928 4.1928 4.2541 4.2541 4.4894 4.4894 4.4898 4.4898 4.6379 4.6379 4.7332 4.7332 6.2218 6.2218 8.2552 8.2552 8.2773 8.2773 9.4497 9.4497 10.3270 10.3270 10.5563 10.5563 k = 0.2656 0.1869 0.8554 ( 10267 PWs) bands (ev): -7.8183 -7.8164 -7.8125 -7.8123 -7.8087 -7.8087 -7.8037 -7.8019 -2.7827 -2.7817 -2.7634 -2.7632 -1.2405 -1.2381 -1.0712 -1.0704 -1.0492 -1.0488 -0.6017 -0.6001 0.2296 0.2308 0.3135 0.3144 1.0247 1.0269 1.7559 1.7642 1.9287 1.9297 2.1079 2.1084 2.1514 2.1525 2.4715 2.4765 2.5998 2.6030 2.9668 2.9697 2.9856 2.9872 3.6151 3.6194 3.6198 3.6273 3.9512 3.9569 4.0759 4.0843 4.1868 4.1968 4.2531 4.2555 4.4719 4.4758 4.5036 4.5077 4.6357 4.6406 4.7328 4.7336 6.2191 6.2243 8.2069 8.2125 8.3218 8.3281 9.4419 9.4590 10.3197 10.3288 10.5551 10.5569 k = 0.2812 0.1979 0.8419 ( 10265 PWs) bands (ev): -7.8234 -7.8215 -7.8127 -7.8126 -7.8087 -7.8086 -7.7984 -7.7965 -2.7833 -2.7813 -2.7636 -2.7630 -1.2417 -1.2370 -1.0729 -1.0707 -1.0483 -1.0476 -0.6021 -0.5990 0.2113 0.2125 0.3354 0.3381 1.0277 1.0316 1.7468 1.7611 1.9278 1.9290 2.1056 2.1082 2.1541 2.1563 2.4488 2.4603 2.6129 2.6211 2.9624 2.9658 2.9880 2.9919 3.6102 3.6179 3.6193 3.6343 3.9459 3.9558 4.0756 4.0913 4.1810 4.1971 4.2527 4.2570 4.4547 4.4612 4.5189 4.5263 4.6338 4.6431 4.7322 4.7344 6.2162 6.2262 8.1503 8.1615 8.3786 8.3917 9.4372 9.4690 10.3105 10.3220 10.5508 10.5564 k = 0.2969 0.2089 0.8285 ( 10261 PWs) bands (ev): -7.8284 -7.8268 -7.8126 -7.8125 -7.8086 -7.8085 -7.7936 -7.7917 -2.7839 -2.7810 -2.7639 -2.7628 -1.2428 -1.2362 -1.0754 -1.0711 -1.0468 -1.0460 -0.6022 -0.5976 0.1921 0.1930 0.3613 0.3655 1.0331 1.0383 1.7353 1.7533 1.9270 1.9277 2.1021 2.1082 2.1584 2.1614 2.4201 2.4378 2.6299 2.6427 2.9574 2.9597 2.9911 2.9976 3.6051 3.6165 3.6187 3.6414 3.9394 3.9527 4.0774 4.0985 4.1759 4.1942 4.2526 4.2586 4.4382 4.4464 4.5351 4.5449 4.6317 4.6448 4.7319 4.7362 6.2133 6.2276 8.0954 8.1124 8.4381 8.4584 9.4356 9.4800 10.2997 10.3088 10.5430 10.5527 k = 0.3125 0.2199 0.8150 ( 10260 PWs) bands (ev): -7.8331 -7.8317 -7.8121 -7.8121 -7.8083 -7.8081 -7.7897 -7.7879 -2.7845 -2.7807 -2.7643 -2.7625 -1.2439 -1.2357 -1.0784 -1.0716 -1.0450 -1.0444 -0.6017 -0.5958 0.1745 0.1749 0.3886 0.3942 1.0407 1.0469 1.7221 1.7418 1.9262 1.9264 2.0977 2.1083 2.1636 2.1672 2.3889 2.4124 2.6477 2.6645 2.9521 2.9522 2.9945 3.0037 3.5998 3.6151 3.6181 3.6483 3.9324 3.9482 4.0804 4.1039 4.1728 4.1895 4.2519 4.2602 4.4227 4.4319 4.5518 4.5624 4.6291 4.6452 4.7325 4.7392 6.2107 6.2285 8.0436 8.0660 8.4996 8.5274 9.4375 9.4921 10.2875 10.2910 10.5320 10.5454 k = 0.3281 0.2309 0.8016 ( 10258 PWs) bands (ev): -7.8373 -7.8362 -7.8116 -7.8115 -7.8078 -7.8076 -7.7867 -7.7849 -2.7851 -2.7806 -2.7648 -2.7622 -1.2449 -1.2355 -1.0815 -1.0722 -1.0431 -1.0428 -0.6006 -0.5936 0.1591 0.1592 0.4165 0.4230 1.0501 1.0571 1.7076 1.7274 1.9245 1.9258 2.0928 2.1084 2.1692 2.1728 2.3569 2.3866 2.6647 2.6852 2.9436 2.9465 2.9981 3.0098 3.5944 3.6138 3.6174 3.6549 3.9253 3.9430 4.0833 4.1056 4.1724 4.1844 4.2504 4.2620 4.4081 4.4181 4.5681 4.5773 4.6265 4.6437 4.7347 4.7438 6.2087 6.2291 7.9957 8.0233 8.5625 8.5982 9.4427 9.5055 10.2702 10.2742 10.5186 10.5351 k = 0.3438 0.2419 0.7882 ( 10258 PWs) bands (ev): -7.8412 -7.8403 -7.8108 -7.8106 -7.8070 -7.8068 -7.7845 -7.7829 -2.7858 -2.7805 -2.7654 -2.7619 -1.2460 -1.2357 -1.0848 -1.0728 -1.0421 -1.0404 -0.5989 -0.5908 0.1463 0.1466 0.4441 0.4514 1.0611 1.0685 1.6928 1.7113 1.9227 1.9252 2.0877 2.1085 2.1749 2.1777 2.3253 2.3619 2.6802 2.7041 2.9340 2.9406 3.0016 3.0158 3.5889 3.6125 3.6168 3.6611 3.9182 3.9376 4.0850 4.1030 4.1745 4.1799 4.2480 4.2643 4.3946 4.4054 4.5828 4.5866 4.6261 4.6405 4.7385 4.7497 6.2080 6.2299 7.9525 7.9847 8.6262 8.6702 9.4511 9.5201 10.2473 10.2597 10.5033 10.5223 k = 0.3594 0.2529 0.7747 ( 10264 PWs) bands (ev): -7.8446 -7.8440 -7.8098 -7.8095 -7.8061 -7.8059 -7.7833 -7.7818 -2.7864 -2.7805 -2.7662 -2.7616 -1.2471 -1.2362 -1.0882 -1.0735 -1.0416 -1.0381 -0.5963 -0.5874 0.1365 0.1370 0.4709 0.4785 1.0730 1.0807 1.6782 1.6945 1.9207 1.9246 2.0824 2.1085 2.1802 2.1808 2.2948 2.3398 2.6937 2.7208 2.9236 2.9343 3.0051 3.0216 3.5834 3.6111 3.6160 3.6669 3.9116 3.9322 4.0846 4.0971 4.1764 4.1773 4.2452 4.2673 4.3821 4.3941 4.5871 4.5940 4.6305 4.6367 4.7439 4.7566 6.2089 6.2313 7.9145 7.9509 8.6901 8.7428 9.4624 9.5357 10.2228 10.2439 10.4869 10.5074 k = 0.3750 0.2639 0.7613 ( 10259 PWs) bands (ev): -7.8475 -7.8473 -7.8087 -7.8082 -7.8049 -7.8048 -7.7829 -7.7815 -2.7871 -2.7805 -2.7669 -2.7614 -1.2483 -1.2371 -1.0915 -1.0740 -1.0416 -1.0358 -0.5928 -0.5832 0.1300 0.1306 0.4964 0.5041 1.0856 1.0935 1.6645 1.6779 1.9183 1.9238 2.0771 2.1083 2.1813 2.1846 2.2664 2.3218 2.7050 2.7353 2.9127 2.9276 3.0084 3.0270 3.5778 3.6098 3.6153 3.6722 3.9055 3.9271 4.0817 4.0892 4.1736 4.1788 4.2431 4.2713 4.3706 4.3846 4.5804 4.5984 4.6352 4.6382 4.7502 4.7638 6.2121 6.2339 7.8823 7.9223 8.7539 8.8156 9.4762 9.5521 10.1972 10.2264 10.4701 10.4907 k = 0.3906 0.2749 0.7478 ( 10252 PWs) bands (ev): -7.8502 -7.8501 -7.8074 -7.8066 -7.8036 -7.8035 -7.7833 -7.7820 -2.7878 -2.7807 -2.7678 -2.7612 -1.2495 -1.2384 -1.0949 -1.0745 -1.0421 -1.0338 -0.5884 -0.5784 0.1269 0.1275 0.5200 0.5274 1.0984 1.1065 1.6524 1.6624 1.9158 1.9228 2.0719 2.1081 2.1785 2.1873 2.2412 2.3088 2.7140 2.7473 2.9013 2.9205 3.0116 3.0321 3.5724 3.6084 3.6145 3.6769 3.8999 3.9225 4.0766 4.0802 4.1702 4.1777 4.2426 4.2759 4.3600 4.3771 4.5699 4.5942 4.6381 4.6458 4.7565 4.7705 6.2180 6.2383 7.8561 7.8994 8.8169 8.8881 9.4920 9.5687 10.1705 10.2065 10.4533 10.4720 k = 0.4062 0.2859 0.7344 ( 10254 PWs) bands (ev): -7.8528 -7.8524 -7.8061 -7.8049 -7.8023 -7.8022 -7.7843 -7.7830 -2.7885 -2.7809 -2.7688 -2.7611 -1.2508 -1.2399 -1.0982 -1.0750 -1.0431 -1.0321 -0.5831 -0.5727 0.1274 0.1277 0.5412 0.5479 1.1109 1.1194 1.6423 1.6486 1.9130 1.9217 2.0668 2.1078 2.1725 2.1861 2.2218 2.3011 2.7207 2.7568 2.8897 2.9128 3.0146 3.0367 3.5671 3.6070 3.6137 3.6812 3.8950 3.9183 4.0698 4.0707 4.1647 4.1740 4.2445 4.2802 4.3504 4.3723 4.5573 4.5841 4.6430 4.6521 4.7622 4.7759 6.2270 6.2448 7.8363 7.8824 8.8786 8.9596 9.5089 9.5851 10.1427 10.1833 10.4372 10.4511 k = 0.4219 0.2969 0.7209 ( 10258 PWs) bands (ev): -7.8551 -7.8544 -7.8051 -7.8031 -7.8012 -7.8005 -7.7855 -7.7843 -2.7892 -2.7811 -2.7697 -2.7610 -1.2523 -1.2418 -1.1014 -1.0754 -1.0445 -1.0307 -0.5769 -0.5664 0.1313 0.1313 0.5594 0.5653 1.1229 1.1318 1.6347 1.6372 1.9100 1.9205 2.0618 2.1075 2.1643 2.1775 2.2120 2.2978 2.7251 2.7636 2.8782 2.9048 3.0173 3.0408 3.5620 3.6055 3.6128 3.6850 3.8905 3.9147 4.0611 4.0620 4.1569 4.1678 4.2483 4.2831 4.3419 4.3704 4.5432 4.5709 4.6474 4.6567 4.7663 4.7796 6.2390 6.2539 7.8229 7.8716 8.9383 9.0296 9.5258 9.6004 10.1140 10.1555 10.4220 10.4269 k = 0.4375 0.3079 0.7075 ( 10256 PWs) bands (ev): -7.8574 -7.8563 -7.8046 -7.8021 -7.7998 -7.7987 -7.7864 -7.7854 -2.7900 -2.7815 -2.7707 -2.7610 -1.2538 -1.2438 -1.1045 -1.0758 -1.0462 -1.0298 -0.5700 -0.5594 0.1382 0.1388 0.5742 0.5791 1.1339 1.1436 1.6286 1.6297 1.9072 1.9191 2.0568 2.1072 2.1553 2.1646 2.2091 2.2975 2.7273 2.7676 2.8672 2.8963 3.0198 3.0444 3.5572 3.6040 3.6120 3.6885 3.8866 3.9116 4.0515 4.0538 4.1469 4.1595 4.2531 4.2839 4.3344 4.3713 4.5283 4.5561 4.6505 4.6597 4.7686 4.7815 6.2539 6.2656 7.8159 7.8671 8.9953 9.0971 9.5415 9.6137 10.0848 10.1223 10.3983 10.4077 k = 0.4531 0.3189 0.6940 ( 10256 PWs) bands (ev): -7.8598 -7.8584 -7.8051 -7.8026 -7.7976 -7.7966 -7.7864 -7.7856 -2.7907 -2.7819 -2.7717 -2.7610 -1.2555 -1.2460 -1.1074 -1.0762 -1.0482 -1.0292 -0.5624 -0.5518 0.1484 0.1498 0.5852 0.5891 1.1440 1.1547 1.6229 1.6273 1.9045 1.9177 2.0516 2.1070 2.1468 2.1528 2.2079 2.2991 2.7273 2.7686 2.8570 2.8874 3.0220 3.0474 3.5528 3.6024 3.6112 3.6917 3.8832 3.9090 4.0420 4.0455 4.1355 4.1496 4.2575 4.2823 4.3283 4.3743 4.5129 4.5403 4.6523 4.6610 4.7690 4.7820 6.2714 6.2798 7.8153 7.8689 9.0484 9.1613 9.5542 9.6240 10.0561 10.0835 10.3634 10.3936 k = 0.4688 0.3299 0.6806 ( 10254 PWs) bands (ev): -7.8626 -7.8608 -7.8067 -7.8043 -7.7950 -7.7941 -7.7852 -7.7848 -2.7915 -2.7824 -2.7727 -2.7610 -1.2572 -1.2483 -1.1103 -1.0766 -1.0504 -1.0290 -0.5543 -0.5439 0.1620 0.1642 0.5920 0.5951 1.1531 1.1651 1.6202 1.6274 1.9022 1.9164 2.0459 2.1064 2.1399 2.1445 2.2064 2.3015 2.7255 2.7664 2.8481 2.8782 3.0239 3.0500 3.5488 3.6008 3.6106 3.6946 3.8801 3.9069 4.0327 4.0371 4.1232 4.1384 4.2602 4.2789 4.3237 4.3782 4.4974 4.5239 4.6526 4.6607 4.7679 4.7817 6.2907 6.2962 7.8209 7.8770 9.0965 9.2207 9.5623 9.6300 10.0294 10.0398 10.3206 10.3781 k = 0.4844 0.3409 0.6672 ( 10258 PWs) bands (ev): -7.8661 -7.8641 -7.8086 -7.8065 -7.7922 -7.7914 -7.7831 -7.7830 -2.7922 -2.7830 -2.7736 -2.7611 -1.2589 -1.2506 -1.1130 -1.0770 -1.0527 -1.0292 -0.5459 -0.5356 0.1787 0.1819 0.5947 0.5972 1.1612 1.1748 1.6202 1.6295 1.9005 1.9152 2.0396 2.1051 2.1355 2.1402 2.2040 2.3042 2.7217 2.7613 2.8405 2.8687 3.0254 3.0521 3.5454 3.5991 3.6100 3.6973 3.8773 3.9053 4.0234 4.0288 4.1105 4.1263 4.2603 4.2741 4.3205 4.3817 4.4822 4.5072 4.6518 4.6587 4.7660 4.7817 6.3111 6.3141 7.8323 7.8911 9.1376 9.2730 9.5643 9.6307 9.9935 10.0069 10.2692 10.3592 k = 0.5000 0.3518 0.6537 ( 10256 PWs) bands (ev): -7.8708 -7.8686 -7.8103 -7.8084 -7.7891 -7.7884 -7.7806 -7.7804 -2.7930 -2.7837 -2.7745 -2.7611 -1.2607 -1.2529 -1.1155 -1.0774 -1.0549 -1.0297 -0.5373 -0.5273 0.1985 0.2028 0.5933 0.5957 1.1686 1.1839 1.6227 1.6331 1.8993 1.9144 2.0327 2.1025 2.1339 2.1398 2.2003 2.3069 2.7163 2.7539 2.8340 2.8590 3.0267 3.0537 3.5427 3.5974 3.6096 3.7000 3.8747 3.9040 4.0143 4.0207 4.0978 4.1136 4.2576 4.2681 4.3182 4.3838 4.4675 4.4907 4.6502 4.6556 4.7642 4.7827 6.3318 6.3331 7.8491 7.9108 9.1691 9.3149 9.5602 9.6259 9.9481 9.9900 10.2098 10.3344 k = 0.5000 0.3518 0.6537 ( 10256 PWs) bands (ev): -7.8708 -7.8686 -7.8103 -7.8084 -7.7891 -7.7884 -7.7806 -7.7804 -2.7930 -2.7837 -2.7745 -2.7611 -1.2607 -1.2529 -1.1155 -1.0774 -1.0549 -1.0297 -0.5373 -0.5273 0.1985 0.2028 0.5933 0.5957 1.1686 1.1839 1.6227 1.6331 1.8993 1.9144 2.0327 2.1025 2.1339 2.1398 2.2003 2.3069 2.7163 2.7539 2.8340 2.8590 3.0267 3.0537 3.5427 3.5974 3.6096 3.7000 3.8747 3.9040 4.0143 4.0207 4.0978 4.1136 4.2576 4.2681 4.3182 4.3838 4.4675 4.4907 4.6502 4.6556 4.7642 4.7827 6.3318 6.3331 7.8491 7.9108 9.1691 9.3149 9.5602 9.6259 9.9481 9.9900 10.2098 10.3344 k = 0.5000 0.3518 0.6304 ( 10244 PWs) bands (ev): -7.8802 -7.8779 -7.8130 -7.8114 -7.7834 -7.7828 -7.7755 -7.7751 -2.7943 -2.7851 -2.7758 -2.7611 -1.2635 -1.2571 -1.1198 -1.0783 -1.0587 -1.0307 -0.5223 -0.5130 0.2370 0.2435 0.5870 0.5896 1.1813 1.2001 1.6288 1.6400 1.8981 1.9135 2.0203 2.0964 2.1338 2.1425 2.1928 2.3110 2.7058 2.7379 2.8244 2.8415 3.0290 3.0562 3.5392 3.5942 3.6092 3.7045 3.8698 3.9014 3.9975 4.0056 4.0769 4.0913 4.2470 4.2550 4.3178 4.3865 4.4438 4.4617 4.6465 4.6491 4.7615 4.7859 6.3659 6.3676 7.8844 7.9512 9.2086 9.3702 9.5412 9.6039 9.8709 9.9741 10.1000 10.2928 k = 0.5000 0.3518 0.6070 ( 10240 PWs) bands (ev): -7.8900 -7.8876 -7.8164 -7.8151 -7.7772 -7.7767 -7.7698 -7.7692 -2.7956 -2.7868 -2.7771 -2.7610 -1.2660 -1.2614 -1.1243 -1.0796 -1.0624 -1.0316 -0.5074 -0.4992 0.2785 0.2875 0.5799 0.5828 1.1948 1.2176 1.6350 1.6468 1.8975 1.9130 2.0080 2.0900 2.1341 2.1456 2.1852 2.3144 2.6960 2.7196 2.8167 2.8228 3.0320 3.0588 3.5370 3.5910 3.6086 3.7087 3.8641 3.8972 3.9797 3.9892 4.0578 4.0697 4.2308 4.2387 4.3227 4.3895 4.4229 4.4323 4.6423 4.6425 4.7589 4.7889 6.3973 6.4026 7.9228 7.9943 9.2339 9.4083 9.5099 9.5674 9.7901 9.9659 9.9969 10.2658 k = 0.5000 0.3518 0.5837 ( 10236 PWs) bands (ev): -7.9000 -7.8975 -7.8204 -7.8194 -7.7705 -7.7702 -7.7637 -7.7628 -2.7969 -2.7887 -2.7783 -2.7609 -1.2681 -1.2659 -1.1291 -1.0812 -1.0657 -1.0322 -0.4931 -0.4863 0.3228 0.3343 0.5722 0.5753 1.2088 1.2363 1.6410 1.6532 1.8977 1.9132 1.9957 2.0831 2.1351 2.1491 2.1776 2.3168 2.6874 2.6996 2.8033 2.8107 3.0356 3.0617 3.5361 3.5876 3.6080 3.7129 3.8576 3.8908 3.9620 3.9721 4.0401 4.0489 4.2117 4.2199 4.3301 4.3864 4.4035 4.4113 4.6353 4.6379 4.7565 4.7915 6.4266 6.4360 7.9639 8.0396 9.2377 9.4109 9.4753 9.5345 9.7057 9.8731 9.9889 10.2492 k = 0.5000 0.3518 0.5603 ( 10252 PWs) bands (ev): -7.9103 -7.9078 -7.8249 -7.8241 -7.7635 -7.7633 -7.7571 -7.7561 -2.7982 -2.7908 -2.7793 -2.7606 -1.2704 -1.2698 -1.1341 -1.0832 -1.0688 -1.0326 -0.4795 -0.4746 0.3694 0.3832 0.5638 0.5676 1.2233 1.2560 1.6466 1.6590 1.8986 1.9142 1.9838 2.0760 2.1369 2.1523 2.1711 2.3180 2.6786 2.6804 2.7834 2.8065 3.0400 3.0648 3.5363 3.5842 3.6074 3.7170 3.8502 3.8812 3.9459 3.9549 4.0233 4.0287 4.1911 4.1993 4.3364 4.3718 4.3779 4.4139 4.6282 4.6328 4.7542 4.7938 6.4532 6.4674 8.0072 8.0868 9.2152 9.3649 9.4450 9.5187 9.6211 9.7640 10.0029 10.2352 k = 0.5000 0.3518 0.5370 ( 10246 PWs) bands (ev): -7.9207 -7.9181 -7.8298 -7.8292 -7.7562 -7.7560 -7.7502 -7.7491 -2.7994 -2.7930 -2.7802 -2.7604 -1.2749 -1.2711 -1.1393 -1.0855 -1.0716 -1.0329 -0.4671 -0.4643 0.4173 0.4329 0.5556 0.5606 1.2380 1.2765 1.6517 1.6641 1.9005 1.9162 1.9724 2.0688 2.1398 2.1522 2.1685 2.3177 2.6573 2.6755 2.7635 2.8039 3.0451 3.0683 3.5374 3.5809 3.6067 3.7209 3.8421 3.8679 3.9327 3.9383 4.0070 4.0088 4.1700 4.1778 4.3294 4.3545 4.3673 4.4216 4.6209 4.6271 4.7521 4.7958 6.4768 6.4962 8.0521 8.1353 9.1693 9.2922 9.4186 9.4854 9.5544 9.6572 10.0169 10.2157 k = 0.5000 0.3518 0.5136 ( 10252 PWs) bands (ev): -7.9312 -7.9286 -7.8352 -7.8347 -7.7486 -7.7485 -7.7430 -7.7418 -2.8006 -2.7954 -2.7810 -2.7601 -1.2794 -1.2718 -1.1448 -1.0880 -1.0741 -1.0330 -0.4562 -0.4556 0.4639 0.4782 0.5499 0.5591 1.2527 1.2976 1.6563 1.6683 1.9032 1.9191 1.9617 2.0617 2.1438 2.1467 2.1720 2.3157 2.6363 2.6733 2.7441 2.8032 3.0508 3.0722 3.5390 3.5782 3.6060 3.7246 3.8337 3.8513 3.9223 3.9223 3.9890 3.9906 4.1492 4.1559 4.3058 4.3374 4.3747 4.4309 4.6135 4.6208 4.7502 4.7973 6.4970 6.5219 8.0981 8.1846 9.1088 9.2098 9.3886 9.4079 9.5212 9.5555 10.0262 10.1852 k = 0.5000 0.3518 0.4903 ( 10256 PWs) bands (ev): -7.9418 -7.9392 -7.8408 -7.8404 -7.7408 -7.7407 -7.7355 -7.7342 -2.8018 -2.7978 -2.7816 -2.7597 -1.2837 -1.2721 -1.1504 -1.0909 -1.0762 -1.0330 -0.4488 -0.4468 0.4967 0.5024 0.5589 0.5796 1.2674 1.3190 1.6603 1.6717 1.9067 1.9220 1.9527 2.0548 2.1389 2.1491 2.1787 2.3119 2.6160 2.6740 2.7256 2.8046 3.0572 3.0765 3.5405 3.5765 3.6053 3.7280 3.8252 3.8327 3.9071 3.9139 3.9691 3.9740 4.1292 4.1344 4.2786 4.3208 4.3871 4.4412 4.6060 4.6141 4.7484 4.7984 6.5134 6.5441 8.1447 8.2340 9.0411 9.1240 9.3174 9.3465 9.4638 9.4901 10.0274 10.1423 k = 0.5000 0.3518 0.4669 ( 10246 PWs) bands (ev): -7.9524 -7.9498 -7.8467 -7.8464 -7.7328 -7.7327 -7.7279 -7.7265 -2.8029 -2.8003 -2.7819 -2.7593 -1.2879 -1.2719 -1.1561 -1.0939 -1.0781 -1.0329 -0.4438 -0.4392 0.4999 0.5010 0.5983 0.6262 1.2817 1.3406 1.6638 1.6743 1.9108 1.9226 1.9479 2.0483 2.1303 2.1555 2.1868 2.3062 2.5970 2.6780 2.7084 2.8082 3.0643 3.0811 3.5411 3.5766 3.6045 3.7308 3.8135 3.8171 3.8925 3.9065 3.9492 3.9569 4.1103 4.1137 4.2510 4.3046 4.4013 4.4521 4.5984 4.6069 4.7468 4.7991 6.5259 6.5626 8.1910 8.2830 8.9706 9.0376 9.2257 9.2842 9.3891 9.4514 10.0181 10.0884 k = 0.5000 0.3518 0.4436 ( 10230 PWs) bands (ev): -7.9628 -7.9602 -7.8527 -7.8526 -7.7248 -7.7246 -7.7201 -7.7187 -2.8041 -2.8027 -2.7821 -2.7589 -1.2918 -1.2713 -1.1620 -1.0972 -1.0796 -1.0327 -0.4408 -0.4336 0.4903 0.4906 0.6508 0.6819 1.2955 1.3619 1.6667 1.6765 1.9152 1.9178 1.9501 2.0425 2.1215 2.1632 2.1961 2.2988 2.5795 2.6852 2.6929 2.8143 3.0721 3.0862 3.5400 3.5791 3.6038 3.7327 3.7942 3.8098 3.8785 3.8994 3.9291 3.9394 4.0929 4.0940 4.2235 4.2887 4.4166 4.4635 4.5909 4.5994 4.7454 4.7995 6.5345 6.5771 8.2366 8.3309 8.9001 8.9522 9.1358 9.2043 9.3293 9.4056 9.9962 10.0262 k = 0.5000 0.3518 0.4202 ( 10238 PWs) bands (ev): -7.9731 -7.9706 -7.8589 -7.8589 -7.7167 -7.7164 -7.7122 -7.7109 -2.8052 -2.8052 -2.7820 -2.7585 -1.2955 -1.2702 -1.1679 -1.1006 -1.0809 -1.0324 -0.4398 -0.4300 0.4772 0.4772 0.7071 0.7404 1.3087 1.3828 1.6691 1.6783 1.9097 1.9197 1.9571 2.0377 2.1124 2.1718 2.2064 2.2898 2.5640 2.6786 2.6965 2.8231 3.0806 3.0917 3.5375 3.5839 3.6029 3.7334 3.7756 3.8036 3.8649 3.8923 3.9090 3.9213 4.0754 4.0770 4.1963 4.2729 4.4329 4.4753 4.5836 4.5915 4.7441 4.7995 6.5390 6.5874 8.2808 8.3772 8.8310 8.8687 9.0490 9.1185 9.2745 9.3540 9.9579 9.9614 k = 0.5000 0.3518 0.3969 ( 10242 PWs) bands (ev): -7.9833 -7.9808 -7.8652 -7.8651 -7.7086 -7.7082 -7.7043 -7.7030 -2.8075 -2.8064 -2.7817 -2.7581 -1.2988 -1.2688 -1.1738 -1.1042 -1.0819 -1.0322 -0.4407 -0.4285 0.4623 0.4626 0.7650 0.7999 1.3212 1.4031 1.6713 1.6800 1.9006 1.9237 1.9665 2.0342 2.1031 2.1811 2.2175 2.2797 2.5506 2.6667 2.7108 2.8347 3.0899 3.0977 3.5340 3.5904 3.6020 3.7327 3.7578 3.7988 3.8520 3.8837 3.8902 3.9028 4.0582 4.0628 4.1697 4.2572 4.4500 4.4873 4.5766 4.5833 4.7429 4.7993 6.5395 6.5934 8.3230 8.4211 8.7645 8.7881 8.9661 9.0334 9.2194 9.2982 9.8854 9.9147 k = 0.5000 0.3518 0.3735 ( 10240 PWs) bands (ev): -7.9931 -7.9907 -7.8715 -7.8714 -7.7005 -7.7001 -7.6964 -7.6953 -2.8098 -2.8076 -2.7811 -2.7577 -1.3018 -1.2671 -1.1795 -1.1080 -1.0825 -1.0320 -0.4435 -0.4289 0.4464 0.4471 0.8234 0.8595 1.3329 1.4225 1.6732 1.6818 1.8912 1.9269 1.9771 2.0321 2.0936 2.1904 2.2293 2.2693 2.5397 2.6567 2.7285 2.8493 3.0998 3.1040 3.5300 3.5982 3.6010 3.7306 3.7410 3.7952 3.8398 3.8669 3.8796 3.8840 4.0421 4.0498 4.1438 4.2415 4.4680 4.4989 4.5704 4.5748 4.7419 4.7988 6.5361 6.5951 8.3625 8.4621 8.7013 8.7112 8.8877 8.9514 9.1631 9.2398 9.8100 9.8581 k = 0.5000 0.3518 0.3502 ( 10230 PWs) bands (ev): -8.0027 -8.0003 -7.8777 -7.8775 -7.6926 -7.6920 -7.6886 -7.6876 -2.8119 -2.8088 -2.7804 -2.7573 -1.3045 -1.2652 -1.1851 -1.1119 -1.0829 -1.0318 -0.4479 -0.4313 0.4301 0.4311 0.8820 0.9184 1.3437 1.4410 1.6749 1.6838 1.8820 1.9291 1.9883 2.0317 2.0839 2.1981 2.2416 2.2603 2.5313 2.6486 2.7494 2.8667 3.1106 3.1107 3.5260 3.5998 3.6067 3.7253 3.7271 3.7920 3.8289 3.8470 3.8651 3.8719 4.0271 4.0378 4.1190 4.2257 4.4868 4.5093 4.5659 4.5663 4.7410 4.7981 6.5291 6.5926 8.3985 8.4991 8.6391 8.6424 8.8143 8.8738 9.1059 9.1798 9.7327 9.7939 k = 0.5000 0.3518 0.3269 ( 10240 PWs) bands (ev): -8.0118 -8.0096 -7.8838 -7.8836 -7.6848 -7.6842 -7.6810 -7.6801 -2.8139 -2.8101 -2.7794 -2.7569 -1.3067 -1.2633 -1.1903 -1.1159 -1.0830 -1.0317 -0.4539 -0.4355 0.4135 0.4149 0.9403 0.9760 1.3536 1.4585 1.6767 1.6861 1.8732 1.9299 1.9995 2.0330 2.0744 2.2010 2.2543 2.2557 2.5256 2.6422 2.7731 2.8871 3.1178 3.1222 3.5222 3.5983 3.6155 3.7109 3.7227 3.7880 3.8200 3.8271 3.8464 3.8643 4.0130 4.0257 4.0960 4.2100 4.5061 4.5165 4.5578 4.5651 4.7403 4.7974 6.5188 6.5859 8.4294 8.5253 8.5787 8.5891 8.7463 8.8014 9.0484 9.1193 9.6545 9.7244 k = 0.5000 0.3518 0.3035 ( 10252 PWs) bands (ev): -8.0206 -8.0184 -7.8897 -7.8895 -7.6773 -7.6765 -7.6736 -7.6728 -2.8157 -2.8113 -2.7783 -2.7566 -1.3086 -1.2615 -1.1951 -1.1201 -1.0828 -1.0317 -0.4611 -0.4413 0.3968 0.3986 0.9977 1.0316 1.3626 1.4753 1.6784 1.6886 1.8648 1.9295 2.0098 2.0359 2.0655 2.1961 2.2586 2.2671 2.5225 2.6375 2.7994 2.9101 3.1254 3.1348 3.5189 3.5966 3.6241 3.6981 3.7176 3.7821 3.8076 3.8133 3.8287 3.8567 3.9997 4.0125 4.0759 4.1942 4.5184 4.5250 4.5502 4.5700 4.7399 4.7966 6.5055 6.5754 8.4508 8.4941 8.5458 8.5769 8.6838 8.7347 8.9913 9.0591 9.5760 9.6516 k = 0.5000 0.3518 0.2802 ( 10264 PWs) bands (ev): -8.0289 -8.0268 -7.8954 -7.8952 -7.6700 -7.6692 -7.6665 -7.6659 -2.8174 -2.8125 -2.7770 -2.7564 -1.3100 -1.2600 -1.1991 -1.1243 -1.0823 -1.0319 -0.4694 -0.4486 0.3805 0.3825 1.0539 1.0845 1.3708 1.4914 1.6803 1.6913 1.8572 1.9279 2.0170 2.0402 2.0592 2.1850 2.2674 2.2798 2.5219 2.6340 2.8277 2.9354 3.1334 3.1482 3.5163 3.5944 3.6315 3.6873 3.7121 3.7740 3.7886 3.8050 3.8162 3.8492 3.9867 3.9969 4.0601 4.1787 4.5155 4.5340 4.5530 4.5800 4.7397 4.7958 6.4897 6.5614 8.4381 8.4480 8.5264 8.6009 8.6274 8.6745 8.9353 9.0000 9.4980 9.5769 k = 0.5000 0.3518 0.2568 ( 10272 PWs) bands (ev): -8.0367 -8.0348 -7.9009 -7.9006 -7.6631 -7.6622 -7.6597 -7.6592 -2.8189 -2.8137 -2.7756 -2.7561 -1.3109 -1.2591 -1.2022 -1.1286 -1.0814 -1.0322 -0.4784 -0.4569 0.3645 0.3669 1.1085 1.1341 1.3783 1.5073 1.6822 1.6940 1.8503 1.9254 2.0177 2.0455 2.0588 2.1705 2.2790 2.2923 2.5236 2.6316 2.8575 2.9626 3.1420 3.1628 3.5146 3.5916 3.6361 3.6801 3.7062 3.7642 3.7706 3.7912 3.8125 3.8418 3.9740 3.9784 4.0488 4.1634 4.5099 4.5275 4.5715 4.5929 4.7399 4.7951 6.4719 6.5441 8.3851 8.4188 8.5312 8.5752 8.6230 8.6251 8.8810 8.9426 9.4208 9.5005 k = 0.5000 0.3518 0.2335 ( 10264 PWs) bands (ev): -8.0439 -8.0421 -7.9060 -7.9057 -7.6566 -7.6556 -7.6533 -7.6530 -2.8202 -2.8149 -2.7741 -2.7560 -1.3114 -1.2591 -1.2041 -1.1329 -1.0803 -1.0327 -0.4878 -0.4662 0.3493 0.3518 1.1610 1.1795 1.3853 1.5231 1.6842 1.6965 1.8446 1.9224 2.0113 2.0513 2.0647 2.1544 2.2917 2.3044 2.5274 2.6300 2.8883 2.9908 3.1514 3.1784 3.5139 3.5881 3.6354 3.6782 3.6998 3.7526 3.7540 3.7785 3.8112 3.8347 3.9580 3.9614 4.0414 4.1485 4.5031 4.5188 4.5922 4.6070 4.7406 4.7946 6.4527 6.5243 8.3372 8.3834 8.5300 8.5304 8.5896 8.6449 8.8291 8.8874 9.3449 9.4169 k = 0.5000 0.3518 0.2101 ( 10262 PWs) bands (ev): -8.0506 -8.0489 -7.9107 -7.9104 -7.6506 -7.6495 -7.6474 -7.6472 -2.8213 -2.8161 -2.7726 -2.7559 -1.3114 -1.2602 -1.2046 -1.1373 -1.0788 -1.0335 -0.4973 -0.4760 0.3349 0.3375 1.2108 1.2202 1.3921 1.5389 1.6863 1.6989 1.8403 1.9191 2.0011 2.0572 2.0733 2.1376 2.3046 2.3159 2.5330 2.6288 2.9192 3.0192 3.1620 3.1952 3.5145 3.5838 3.6295 3.6807 3.6926 3.7392 3.7395 3.7695 3.8102 3.8279 3.9369 3.9485 4.0367 4.1343 4.4958 4.5099 4.6127 4.6215 4.7420 4.7944 6.4328 6.5024 8.2949 8.3491 8.4902 8.5048 8.5861 8.6612 8.7803 8.8351 9.2701 9.3219 k = 0.5000 0.3518 0.1868 ( 10268 PWs) bands (ev): -8.0566 -8.0551 -7.9150 -7.9148 -7.6450 -7.6439 -7.6419 -7.6418 -2.8223 -2.8172 -2.7710 -2.7559 -1.3110 -1.2622 -1.2039 -1.1417 -1.0769 -1.0345 -0.5066 -0.4861 0.3216 0.3243 1.2555 1.2570 1.3993 1.5548 1.6886 1.7008 1.8378 1.9157 1.9895 2.0621 2.0824 2.1210 2.3170 2.3267 2.5400 2.6279 2.9497 3.0462 3.1743 3.2132 3.5163 3.5784 3.6207 3.6835 3.6844 3.7246 3.7291 3.7645 3.8091 3.8215 3.9161 3.9353 4.0339 4.1208 4.4885 4.5010 4.6323 4.6357 4.7442 4.7945 6.4129 6.4791 8.2586 8.3176 8.4561 8.4715 8.5937 8.6736 8.7350 8.7861 9.1963 9.2296 k = 0.5000 0.3518 0.1634 ( 10262 PWs) bands (ev): -8.0620 -8.0607 -7.9190 -7.9187 -7.6399 -7.6388 -7.6370 -7.6369 -2.8230 -2.8183 -2.7694 -2.7560 -1.3101 -1.2651 -1.2021 -1.1461 -1.0748 -1.0357 -0.5154 -0.4961 0.3095 0.3121 1.2855 1.2984 1.4080 1.5699 1.6909 1.7025 1.8377 1.9125 1.9774 2.0637 2.0910 2.1069 2.3287 2.3367 2.5479 2.6269 2.9788 3.0703 3.1894 3.2322 3.5195 3.5720 3.6104 3.6749 3.6823 3.7099 3.7252 3.7629 3.8074 3.8159 3.8964 3.9216 4.0326 4.1083 4.4813 4.4924 4.6491 4.6502 4.7476 4.7950 6.3937 6.4552 8.2282 8.2891 8.4273 8.4410 8.6012 8.6816 8.6939 8.7413 9.1240 9.1456 k = 0.5000 0.3518 0.1401 ( 10262 PWs) bands (ev): -8.0667 -8.0656 -7.9224 -7.9222 -7.6354 -7.6344 -7.6327 -7.6326 -2.8236 -2.8193 -2.7678 -2.7562 -1.3088 -1.2686 -1.1995 -1.1505 -1.0723 -1.0373 -0.5234 -0.5058 0.2987 0.3012 1.3100 1.3322 1.4206 1.5833 1.6933 1.7038 1.8406 1.9097 1.9653 2.0574 2.0987 2.0997 2.3394 2.3456 2.5565 2.6257 3.0060 3.0898 3.2077 3.2520 3.5240 3.5645 3.5993 3.6641 3.6766 3.6961 3.7282 3.7642 3.8052 3.8110 3.8781 3.9075 4.0323 4.0967 4.4746 4.4843 4.6613 4.6656 4.7525 4.7959 6.3759 6.4315 8.2036 8.2636 8.4038 8.4152 8.6064 8.6575 8.6817 8.7040 9.0554 9.0721 k = 0.5000 0.3518 0.1167 ( 10260 PWs) bands (ev): -8.0707 -8.0698 -7.9254 -7.9252 -7.6316 -7.6306 -7.6290 -7.6288 -2.8240 -2.8202 -2.7663 -2.7565 -1.3070 -1.2725 -1.1963 -1.1548 -1.0695 -1.0393 -0.5303 -0.5149 0.2895 0.2917 1.3296 1.3556 1.4398 1.5934 1.6957 1.7049 1.8470 1.9074 1.9536 2.0425 2.1000 2.1051 2.3488 2.3535 2.5654 2.6240 3.0307 3.1039 3.2292 3.2718 3.5298 3.5561 3.5876 3.6519 3.6692 3.6838 3.7347 3.7680 3.8026 3.8072 3.8617 3.8930 4.0331 4.0862 4.4685 4.4768 4.6719 4.6778 4.7590 4.7970 6.3602 6.4087 8.1848 8.2408 8.3853 8.3946 8.6087 8.6266 8.6578 8.6904 8.9943 9.0103 k = 0.5000 0.3518 0.0934 ( 10264 PWs) bands (ev): -8.0740 -8.0732 -7.9278 -7.9277 -7.6283 -7.6275 -7.6259 -7.6257 -2.8242 -2.8211 -2.7648 -2.7570 -1.3048 -1.2766 -1.1926 -1.1592 -1.0665 -1.0415 -0.5360 -0.5231 0.2818 0.2837 1.3450 1.3687 1.4652 1.5987 1.6980 1.7058 1.8575 1.9059 1.9428 2.0230 2.1035 2.1102 2.3568 2.3601 2.5742 2.6217 3.0525 3.1128 3.2525 3.2907 3.5365 3.5473 3.5759 3.6387 3.6624 3.6734 3.7426 3.7738 3.7995 3.8045 3.8473 3.8782 4.0347 4.0768 4.4634 4.4701 4.6807 4.6867 4.7669 4.7981 6.3474 6.3876 8.1716 8.2207 8.3714 8.3787 8.5988 8.6115 8.6273 8.6828 8.9443 8.9607 k = 0.5000 0.3518 0.0700 ( 10268 PWs) bands (ev): -8.0766 -8.0760 -7.9297 -7.9296 -7.6258 -7.6251 -7.6234 -7.6233 -2.8243 -2.8219 -2.7634 -2.7575 -1.3023 -1.2807 -1.1887 -1.1635 -1.0633 -1.0441 -0.5401 -0.5302 0.2759 0.2774 1.3566 1.3751 1.4929 1.5985 1.7002 1.7064 1.8720 1.9055 1.9331 2.0016 2.1076 2.1139 2.3631 2.3654 2.5827 2.6187 3.0713 3.1172 3.2756 3.3072 3.5389 3.5426 3.5662 3.6249 3.6570 3.6650 3.7509 3.7802 3.7971 3.8033 3.8349 3.8633 4.0371 4.0684 4.4593 4.4644 4.6875 4.6926 4.7752 4.7989 6.3381 6.3691 8.1636 8.2031 8.3617 8.3672 8.5795 8.6010 8.6112 8.6710 8.9078 8.9232 k = 0.5000 0.3518 0.0467 ( 10276 PWs) bands (ev): -8.0784 -8.0780 -7.9311 -7.9310 -7.6239 -7.6234 -7.6216 -7.6215 -2.8242 -2.8226 -2.7622 -2.7582 -1.2994 -1.2848 -1.1847 -1.1678 -1.0600 -1.0469 -0.5427 -0.5359 0.2716 0.2727 1.3653 1.3776 1.5198 1.5925 1.7023 1.7066 1.8897 1.9062 1.9249 1.9791 2.1114 2.1161 2.3678 2.3692 2.5907 2.6149 3.0869 3.1178 3.2965 3.3194 3.5323 3.5422 3.5650 3.6110 3.6534 3.6586 3.7591 3.7829 3.7992 3.8036 3.8248 3.8487 4.0403 4.0611 4.4565 4.4599 4.6925 4.6960 4.7831 4.7989 6.3326 6.3537 8.1605 8.1882 8.3557 8.3594 8.5659 8.5805 8.6128 8.6558 8.8849 8.8967 k = 0.5000 0.3518 0.0233 ( 10276 PWs) bands (ev): -8.0794 -8.0792 -7.9319 -7.9319 -7.6227 -7.6225 -7.6205 -7.6205 -2.8240 -2.8232 -2.7610 -2.7590 -1.2961 -1.2888 -1.1805 -1.1721 -1.0566 -1.0500 -0.5436 -0.5401 0.2692 0.2697 1.3715 1.3776 1.5441 1.5811 1.7041 1.7063 1.9082 1.9087 1.9196 1.9563 2.1143 2.1168 2.3707 2.3714 2.5981 2.6102 3.0994 3.1149 3.3130 3.3251 3.5291 3.5356 3.5732 3.5974 3.6517 3.6543 3.7668 3.7796 3.8057 3.8075 3.8174 3.8345 4.0443 4.0546 4.4551 4.4568 4.6958 4.6976 4.7897 4.7976 6.3314 6.3421 8.1618 8.1761 8.3528 8.3547 8.5589 8.5663 8.6177 8.6401 8.8738 8.8802 k = 0.5000 0.3518 0.0000 ( 10288 PWs) bands (ev): -8.0797 -8.0797 -7.9322 -7.9322 -7.6222 -7.6222 -7.6202 -7.6202 -2.8236 -2.8236 -2.7599 -2.7599 -1.2926 -1.2926 -1.1763 -1.1763 -1.0532 -1.0532 -0.5427 -0.5427 0.2686 0.2686 1.3756 1.3756 1.5647 1.5647 1.7054 1.7054 1.9113 1.9113 1.9338 1.9338 2.1162 2.1162 2.3719 2.3719 2.6046 2.6046 3.1087 3.1087 3.3230 3.3230 3.5303 3.5303 3.5846 3.5846 3.6520 3.6520 3.7738 3.7738 3.8092 3.8092 3.8217 3.8217 4.0490 4.0490 4.4552 4.4552 4.6974 4.6974 4.7946 4.7946 6.3346 6.3346 8.1672 8.1672 8.3525 8.3525 8.5590 8.5590 8.6268 8.6268 8.8726 8.8726 k = 0.0000 0.0000 0.8688 ( 10220 PWs) bands (ev): -7.8167 -7.8167 -7.8128 -7.8128 -7.8086 -7.8086 -7.8030 -7.8030 -2.7825 -2.7825 -2.7629 -2.7629 -1.2362 -1.2362 -1.0850 -1.0850 -1.0247 -1.0247 -0.6207 -0.6207 0.0193 0.0193 0.6188 0.6188 1.1087 1.1087 1.5913 1.5913 1.9172 1.9172 2.1197 2.1197 2.1323 2.1323 2.2582 2.2582 2.7914 2.7914 2.9283 2.9283 3.0314 3.0314 3.6030 3.6030 3.6373 3.6373 3.8976 3.8976 4.0801 4.0801 4.2381 4.2381 4.2827 4.2827 4.4008 4.4008 4.6295 4.6295 4.6870 4.6870 4.7737 4.7737 6.1173 6.1173 7.7075 7.7075 8.8659 8.8659 9.4720 9.4720 10.3263 10.3263 10.7948 10.7948 k = 0.0192 0.0135 0.8688 ( 10206 PWs) bands (ev): -7.8167 -7.8167 -7.8127 -7.8127 -7.8086 -7.8086 -7.8031 -7.8031 -2.7825 -2.7825 -2.7629 -2.7629 -1.2363 -1.2363 -1.0849 -1.0849 -1.0249 -1.0249 -0.6205 -0.6205 0.0209 0.0209 0.6154 0.6154 1.1075 1.1075 1.5936 1.5936 1.9174 1.9174 2.1163 2.1163 2.1384 2.1384 2.2578 2.2578 2.7900 2.7900 2.9286 2.9286 3.0310 3.0310 3.6032 3.6032 3.6372 3.6372 3.8981 3.8981 4.0808 4.0808 4.2372 4.2372 4.2824 4.2824 4.4007 4.4007 4.6293 4.6293 4.6862 4.6862 4.7725 4.7725 6.1188 6.1188 7.7116 7.7116 8.8612 8.8612 9.4717 9.4717 10.3250 10.3250 10.7907 10.7907 k = 0.0385 0.0271 0.8688 ( 10226 PWs) bands (ev): -7.8166 -7.8166 -7.8127 -7.8127 -7.8086 -7.8086 -7.8032 -7.8032 -2.7825 -2.7825 -2.7629 -2.7629 -1.2364 -1.2364 -1.0845 -1.0845 -1.0258 -1.0258 -0.6196 -0.6196 0.0259 0.0259 0.6056 0.6056 1.1039 1.1039 1.6005 1.6005 1.9182 1.9182 2.1118 2.1118 2.1509 2.1509 2.2566 2.2566 2.7856 2.7856 2.9297 2.9297 3.0298 3.0298 3.6035 3.6035 3.6369 3.6369 3.8996 3.8996 4.0829 4.0829 4.2344 4.2344 4.2815 4.2815 4.4004 4.4004 4.6285 4.6285 4.6836 4.6836 4.7694 4.7694 6.1235 6.1235 7.7238 7.7238 8.8475 8.8475 9.4708 9.4708 10.3215 10.3215 10.7791 10.7791 k = 0.0577 0.0406 0.8688 ( 10234 PWs) bands (ev): -7.8165 -7.8165 -7.8125 -7.8125 -7.8087 -7.8087 -7.8033 -7.8033 -2.7825 -2.7825 -2.7629 -2.7629 -1.2366 -1.2366 -1.0838 -1.0838 -1.0272 -1.0272 -0.6183 -0.6183 0.0341 0.0341 0.5897 0.5897 1.0981 1.0981 1.6117 1.6117 1.9193 1.9193 2.1085 2.1085 2.1663 2.1663 2.2556 2.2556 2.7784 2.7784 2.9315 2.9315 3.0277 3.0277 3.6041 3.6041 3.6363 3.6363 3.9020 3.9020 4.0861 4.0861 4.2297 4.2297 4.2800 4.2800 4.4002 4.4002 4.6270 4.6270 4.6792 4.6792 4.7646 4.7646 6.1308 6.1308 7.7440 7.7440 8.8248 8.8248 9.4694 9.4694 10.3166 10.3166 10.7616 10.7616 k = 0.0769 0.0541 0.8688 ( 10234 PWs) bands (ev): -7.8163 -7.8163 -7.8123 -7.8123 -7.8089 -7.8089 -7.8036 -7.8036 -2.7825 -2.7825 -2.7630 -2.7630 -1.2369 -1.2369 -1.0829 -1.0829 -1.0290 -1.0290 -0.6165 -0.6165 0.0455 0.0455 0.5686 0.5686 1.0904 1.0904 1.6264 1.6264 1.9206 1.9206 2.1062 2.1062 2.1820 2.1820 2.2570 2.2570 2.7683 2.7683 2.9338 2.9338 3.0249 3.0249 3.6049 3.6049 3.6355 3.6355 3.9055 3.9055 4.0902 4.0902 4.2233 4.2233 4.2779 4.2779 4.4008 4.4008 4.6247 4.6247 4.6729 4.6729 4.7590 4.7590 6.1404 6.1404 7.7717 7.7717 8.7937 8.7937 9.4674 9.4674 10.3115 10.3115 10.7397 10.7397 k = 0.0962 0.0677 0.8688 ( 10224 PWs) bands (ev): -7.8161 -7.8161 -7.8121 -7.8121 -7.8091 -7.8091 -7.8038 -7.8038 -2.7824 -2.7824 -2.7630 -2.7630 -1.2372 -1.2372 -1.0818 -1.0818 -1.0312 -1.0312 -0.6144 -0.6144 0.0600 0.0600 0.5432 0.5432 1.0813 1.0813 1.6440 1.6440 1.9220 1.9220 2.1048 2.1048 2.1931 2.1931 2.2654 2.2654 2.7553 2.7553 2.9368 2.9368 3.0215 3.0215 3.6060 3.6060 3.6345 3.6345 3.9099 3.9099 4.0947 4.0947 4.2155 4.2155 4.2755 4.2755 4.4025 4.4025 4.6209 4.6209 4.6651 4.6651 4.7532 4.7532 6.1518 6.1518 7.8065 7.8065 8.7546 8.7546 9.4651 9.4651 10.3073 10.3073 10.7149 10.7149 k = 0.1154 0.0812 0.8688 ( 10240 PWs) bands (ev): -7.8159 -7.8159 -7.8118 -7.8118 -7.8092 -7.8092 -7.8042 -7.8042 -2.7824 -2.7824 -2.7631 -2.7631 -1.2376 -1.2376 -1.0804 -1.0804 -1.0338 -1.0338 -0.6121 -0.6121 0.0773 0.0773 0.5143 0.5143 1.0713 1.0713 1.6635 1.6635 1.9234 1.9234 2.1040 2.1040 2.1959 2.1959 2.2843 2.2843 2.7394 2.7394 2.9404 2.9404 3.0174 3.0174 3.6073 3.6073 3.6332 3.6332 3.9152 3.9152 4.0988 4.0988 4.2069 4.2069 4.2726 4.2726 4.4058 4.4058 4.6145 4.6145 4.6568 4.6568 4.7480 4.7480 6.1641 6.1641 7.8479 7.8479 8.7085 8.7085 9.4626 9.4626 10.3048 10.3048 10.6885 10.6885 k = 0.1346 0.0947 0.8688 ( 10240 PWs) bands (ev): -7.8157 -7.8157 -7.8114 -7.8114 -7.8095 -7.8095 -7.8045 -7.8045 -2.7824 -2.7824 -2.7631 -2.7631 -1.2380 -1.2380 -1.0789 -1.0789 -1.0366 -1.0366 -0.6097 -0.6097 0.0975 0.0975 0.4828 0.4828 1.0610 1.0610 1.6839 1.6839 1.9247 1.9247 2.1038 2.1038 2.1918 2.1918 2.3117 2.3117 2.7208 2.7208 2.9444 2.9444 3.0128 3.0128 3.6087 3.6087 3.6318 3.6318 3.9214 3.9214 4.1015 4.1015 4.1988 4.1988 4.2695 4.2695 4.4111 4.4111 4.6040 4.6040 4.6497 4.6497 4.7435 4.7435 6.1767 6.1767 7.8953 7.8953 8.6561 8.6561 9.4599 9.4599 10.3046 10.3046 10.6616 10.6616 k = 0.1538 0.1083 0.8688 ( 10254 PWs) bands (ev): -7.8154 -7.8154 -7.8111 -7.8111 -7.8097 -7.8097 -7.8050 -7.8050 -2.7823 -2.7823 -2.7632 -2.7632 -1.2383 -1.2383 -1.0772 -1.0772 -1.0395 -1.0395 -0.6074 -0.6074 0.1201 0.1201 0.4496 0.4496 1.0512 1.0512 1.7041 1.7041 1.9260 1.9260 2.1040 2.1040 2.1842 2.1842 2.3437 2.3437 2.6997 2.6997 2.9488 2.9488 3.0078 3.0078 3.6104 3.6104 3.6302 3.6302 3.9282 3.9282 4.1016 4.1016 4.1926 4.1926 4.2662 4.2662 4.4185 4.4185 4.5892 4.5892 4.6448 4.6448 4.7400 4.7400 6.1888 6.1888 7.9481 7.9481 8.5984 8.5984 9.4573 9.4573 10.3066 10.3066 10.6352 10.6352 k = 0.1731 0.1218 0.8688 ( 10264 PWs) bands (ev): -7.8152 -7.8152 -7.8108 -7.8108 -7.8098 -7.8098 -7.8054 -7.8054 -2.7823 -2.7823 -2.7632 -2.7632 -1.2386 -1.2386 -1.0754 -1.0754 -1.0423 -1.0423 -0.6053 -0.6053 0.1450 0.1450 0.4155 0.4155 1.0423 1.0423 1.7228 1.7228 1.9271 1.9271 2.1047 2.1047 2.1753 2.1753 2.3779 2.3779 2.6763 2.6763 2.9535 2.9535 3.0025 3.0025 3.6122 3.6122 3.6285 3.6285 3.9355 3.9355 4.0984 4.0984 4.1895 4.1895 4.2628 4.2628 4.4283 4.4283 4.5710 4.5710 4.6417 4.6417 4.7374 4.7374 6.1998 6.1998 8.0054 8.0054 8.5365 8.5365 9.4548 9.4548 10.3107 10.3107 10.6106 10.6106 k = 0.1923 0.1353 0.8688 ( 10268 PWs) bands (ev): -7.8149 -7.8149 -7.8105 -7.8105 -7.8099 -7.8099 -7.8058 -7.8058 -2.7822 -2.7822 -2.7632 -2.7632 -1.2389 -1.2389 -1.0736 -1.0736 -1.0450 -1.0450 -0.6035 -0.6035 0.1717 0.1717 0.3812 0.3812 1.0348 1.0348 1.7390 1.7390 1.9281 1.9281 2.1057 2.1057 2.1662 2.1662 2.4122 2.4122 2.6513 2.6513 2.9585 2.9585 2.9970 2.9970 3.6141 3.6141 3.6266 3.6266 3.9427 3.9427 4.0926 4.0926 4.1892 4.1892 4.2596 4.2596 4.4404 4.4404 4.5509 4.5509 4.6398 4.6398 4.7355 4.7355 6.2090 6.2090 8.0666 8.0666 8.4714 8.4714 9.4527 9.4527 10.3160 10.3160 10.5889 10.5889 k = 0.2115 0.1489 0.8688 ( 10260 PWs) bands (ev): -7.8147 -7.8147 -7.8105 -7.8105 -7.8097 -7.8097 -7.8061 -7.8061 -2.7822 -2.7822 -2.7633 -2.7633 -1.2391 -1.2391 -1.0720 -1.0720 -1.0473 -1.0473 -0.6022 -0.6022 0.1994 0.1994 0.3479 0.3479 1.0292 1.0292 1.7515 1.7515 1.9288 1.9288 2.1070 2.1070 2.1583 2.1583 2.4446 2.4446 2.6261 2.6261 2.9635 2.9635 2.9917 2.9917 3.6161 3.6161 3.6247 3.6247 3.9490 3.9490 4.0860 4.0860 4.1906 4.1906 4.2568 4.2568 4.4548 4.4548 4.5301 4.5301 4.6387 4.6387 4.7342 4.7342 6.2160 6.2160 8.1309 8.1309 8.4041 8.4041 9.4511 9.4511 10.3214 10.3214 10.5716 10.5716 k = 0.2308 0.1624 0.8688 ( 10268 PWs) bands (ev): -7.8146 -7.8146 -7.8106 -7.8106 -7.8095 -7.8095 -7.8064 -7.8064 -2.7822 -2.7822 -2.7633 -2.7633 -1.2392 -1.2392 -1.0709 -1.0709 -1.0488 -1.0488 -0.6013 -0.6013 0.2256 0.2256 0.3183 0.3183 1.0257 1.0257 1.7594 1.7594 1.9294 1.9294 2.1081 2.1081 2.1528 2.1528 2.4707 2.4707 2.6046 2.6046 2.9678 2.9678 2.9871 2.9871 3.6180 3.6180 3.6227 3.6227 3.9535 3.9535 4.0808 4.0808 4.1921 4.1921 4.2548 4.2548 4.4713 4.4713 4.5094 4.5094 4.6381 4.6381 4.7334 4.7334 6.2204 6.2204 8.1972 8.1972 8.3360 8.3360 9.4500 9.4500 10.3255 10.3255 10.5603 10.5603 k = 0.2500 0.1759 0.8688 ( 10280 PWs) bands (ev): -7.8146 -7.8146 -7.8106 -7.8106 -7.8095 -7.8095 -7.8065 -7.8065 -2.7822 -2.7822 -2.7633 -2.7633 -1.2393 -1.2393 -1.0704 -1.0704 -1.0494 -1.0494 -0.6010 -0.6010 0.2395 0.2395 0.3032 0.3032 1.0245 1.0245 1.7621 1.7621 1.9296 1.9296 2.1086 2.1086 2.1508 2.1508 2.4818 2.4818 2.5950 2.5950 2.9699 2.9699 2.9849 2.9849 3.6193 3.6193 3.6214 3.6214 3.9552 3.9552 4.0789 4.0789 4.1928 4.1928 4.2541 4.2541 4.4894 4.4894 4.4898 4.4898 4.6379 4.6379 4.7332 4.7332 6.2218 6.2218 8.2552 8.2552 8.2773 8.2773 9.4497 9.4497 10.3270 10.3270 10.5563 10.5563 Writing output data file Cu2HgI4.save init_run : 4.11s CPU 12.47s WALL ( 1 calls) electrons : 2219.94s CPU 2242.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.74s WALL ( 1 calls) Called by electrons: c_bands : 2219.87s CPU 2242.16s WALL ( 1 calls) v_of_rho : 0.12s CPU 1.10s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.11s CPU 0.70s WALL ( 1 calls) newd : 0.71s CPU 0.93s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.52s WALL ( 255 calls) cegterg : 2127.99s CPU 2147.26s WALL ( 799 calls) Called by sum_band: Called by *egterg: h_psi : 1103.28s CPU 1116.89s WALL ( 14289 calls) s_psi : 67.69s CPU 67.98s WALL ( 14289 calls) g_psi : 2.63s CPU 2.57s WALL ( 13235 calls) cdiaghg : 635.55s CPU 633.25s WALL ( 13490 calls) cegterg:over : 180.85s CPU 178.43s WALL ( 13235 calls) cegterg:upda : 68.02s CPU 71.76s WALL ( 13235 calls) cegterg:last : 52.40s CPU 53.19s WALL ( 2180 calls) Called by h_psi: h_psi:vloc : 941.22s CPU 951.66s WALL ( 14289 calls) h_psi:vnl : 160.16s CPU 162.20s WALL ( 14289 calls) add_vuspsi : 60.87s CPU 65.22s WALL ( 14289 calls) General routines calbec : 99.23s CPU 96.85s WALL ( 14289 calls) fft : 0.30s CPU 1.22s WALL ( 19 calls) ffts : 0.03s CPU 0.10s WALL ( 4 calls) fftw : 852.67s CPU 859.34s WALL ( 1935952 calls) interpolate : 0.07s CPU 0.14s WALL ( 4 calls) davcio : 0.03s CPU 2.49s WALL ( 510 calls) Parallel routines fft_scatter : 402.67s CPU 404.81s WALL ( 1935975 calls) PWSCF : 38m39.75s CPU 41m46.91s WALL This run was terminated on: 6:17: 7 18Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=