Program PWSCF v.5.4.0 starts on 11Feb2017 at 15:13:48 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KBe2BO3F2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 193 72 20 8627 1947 291 Max 194 73 21 8631 1968 294 Sum 6983 2595 733 310677 70447 10517 bravais-lattice index = 14 lattice parameter (alat) = 12.7567 a.u. unit-cell volume = 715.6278 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 5 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.756739 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.784966 celldm(5)= 0.784966 celldm(6)= 0.784966 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.784966 0.619539 0.000000 ) a(3) = ( 0.784966 0.272452 0.556416 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.267016 -0.790353 ) b(2) = ( 0.000000 1.614103 -0.790353 ) b(3) = ( 0.000000 0.000000 1.797217 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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. # 4 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 5 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 1.00) Be 4.00 9.01220 Be( 1.00) B 3.00 10.81100 B( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0119048 -0.0150835 -0.0094090), wk = 0.0034843 k( 3) = ( 0.0238095 -0.0301670 -0.0188179), wk = 0.0034843 k( 4) = ( 0.0357143 -0.0452506 -0.0282269), wk = 0.0034843 k( 5) = ( 0.0476191 -0.0603341 -0.0376359), wk = 0.0034843 k( 6) = ( 0.0595238 -0.0754176 -0.0470448), wk = 0.0034843 k( 7) = ( 0.0714286 -0.0905012 -0.0564538), wk = 0.0034843 k( 8) = ( 0.0833333 -0.1055847 -0.0658628), wk = 0.0034843 k( 9) = ( 0.0952381 -0.1206682 -0.0752718), wk = 0.0034843 k( 10) = ( 0.1071429 -0.1357517 -0.0846807), wk = 0.0034843 k( 11) = ( 0.1190476 -0.1508353 -0.0940897), wk = 0.0034843 k( 12) = ( 0.1309524 -0.1659188 -0.1034987), wk = 0.0034843 k( 13) = ( 0.1428571 -0.1810023 -0.1129076), wk = 0.0034843 k( 14) = ( 0.1547619 -0.1960858 -0.1223166), wk = 0.0034843 k( 15) = ( 0.1666667 -0.2111694 -0.1317256), wk = 0.0034843 k( 16) = ( 0.1785714 -0.2262529 -0.1411345), wk = 0.0034843 k( 17) = ( 0.1904762 -0.2413364 -0.1505435), wk = 0.0034843 k( 18) = ( 0.2023810 -0.2564199 -0.1599525), wk = 0.0034843 k( 19) = ( 0.2142857 -0.2715035 -0.1693615), wk = 0.0034843 k( 20) = ( 0.2261905 -0.2865870 -0.1787704), wk = 0.0034843 k( 21) = ( 0.2380952 -0.3016705 -0.1881794), wk = 0.0034843 k( 22) = ( 0.2500000 -0.3167540 -0.1975884), wk = 0.0034843 k( 23) = ( 0.2619048 -0.3318376 -0.2069973), wk = 0.0034843 k( 24) = ( 0.2738095 -0.3469211 -0.2164063), wk = 0.0034843 k( 25) = ( 0.2857143 -0.3620046 -0.2258153), wk = 0.0034843 k( 26) = ( 0.2976190 -0.3770881 -0.2352242), wk = 0.0034843 k( 27) = ( 0.3095238 -0.3921717 -0.2446332), wk = 0.0034843 k( 28) = ( 0.3214286 -0.4072552 -0.2540422), wk = 0.0034843 k( 29) = ( 0.3333333 -0.4223387 -0.2634511), wk = 0.0034843 k( 30) = ( 0.3452381 -0.4374222 -0.2728601), wk = 0.0034843 k( 31) = ( 0.3571429 -0.4525058 -0.2822691), wk = 0.0034843 k( 32) = ( 0.3690476 -0.4675893 -0.2916781), wk = 0.0034843 k( 33) = ( 0.3809524 -0.4826728 -0.3010870), wk = 0.0034843 k( 34) = ( 0.3928571 -0.4977563 -0.3104960), wk = 0.0034843 k( 35) = ( 0.4047619 -0.5128399 -0.3199050), wk = 0.0034843 k( 36) = ( 0.4166667 -0.5279234 -0.3293139), wk = 0.0034843 k( 37) = ( 0.4285714 -0.5430069 -0.3387229), wk = 0.0034843 k( 38) = ( 0.4404762 -0.5580904 -0.3481319), wk = 0.0034843 k( 39) = ( 0.4523810 -0.5731740 -0.3575408), wk = 0.0034843 k( 40) = ( 0.4642857 -0.5882575 -0.3669498), wk = 0.0034843 k( 41) = ( 0.4761905 -0.6033410 -0.3763588), wk = 0.0034843 k( 42) = ( 0.4880952 -0.6184246 -0.3857678), wk = 0.0034843 k( 43) = ( 0.5000000 -0.6335081 -0.3951767), wk = 0.0034843 k( 44) = ( 0.5000000 -0.6335081 -0.3951767), wk = 0.0034843 k( 45) = ( 0.5000000 -0.6222925 -0.4131564), wk = 0.0034843 k( 46) = ( 0.5000000 -0.6110769 -0.4311361), wk = 0.0034843 k( 47) = ( 0.5000000 -0.5998613 -0.4491158), wk = 0.0034843 k( 48) = ( 0.5000000 -0.5886458 -0.4670956), wk = 0.0034843 k( 49) = ( 0.5000000 -0.5774302 -0.4850753), wk = 0.0034843 k( 50) = ( 0.5000000 -0.5662146 -0.5030549), wk = 0.0034843 k( 51) = ( 0.5000000 -0.5549990 -0.5210346), wk = 0.0034843 k( 52) = ( 0.5000000 -0.5437834 -0.5390144), wk = 0.0034843 k( 53) = ( 0.5000000 -0.5325679 -0.5569941), wk = 0.0034843 k( 54) = ( 0.5000000 -0.5213523 -0.5749738), wk = 0.0034843 k( 55) = ( 0.5000000 -0.5101367 -0.5929535), wk = 0.0034843 k( 56) = ( 0.5000000 -0.4989211 -0.6109332), wk = 0.0034843 k( 57) = ( 0.5000000 -0.4877055 -0.6289129), wk = 0.0034843 k( 58) = ( 0.5000000 -0.4764900 -0.6468926), wk = 0.0034843 k( 59) = ( 0.5000000 -0.4652744 -0.6648723), wk = 0.0034843 k( 60) = ( 0.5000000 -0.4540588 -0.6828520), wk = 0.0034843 k( 61) = ( 0.5000000 -0.4428432 -0.7008317), wk = 0.0034843 k( 62) = ( 0.5000000 -0.4316276 -0.7188114), wk = 0.0034843 k( 63) = ( 0.5000000 -0.4204121 -0.7367911), wk = 0.0034843 k( 64) = ( 0.5000000 -0.4091965 -0.7547708), wk = 0.0034843 k( 65) = ( 0.5000000 -0.3979809 -0.7727505), wk = 0.0034843 k( 66) = ( 0.5000000 -0.3867653 -0.7907302), wk = 0.0034843 k( 67) = ( 0.5000000 -0.3755497 -0.8087099), wk = 0.0034843 k( 68) = ( 0.5000000 -0.3643341 -0.8266896), wk = 0.0034843 k( 69) = ( 0.5000000 -0.3531186 -0.8446693), wk = 0.0034843 k( 70) = ( 0.5000000 -0.3419030 -0.8626490), wk = 0.0034843 k( 71) = ( 0.5000000 -0.3306874 -0.8806287), wk = 0.0034843 k( 72) = ( 0.5000000 -0.3194718 -0.8986084), wk = 0.0034843 k( 73) = ( 0.8054423 -0.2134567 -0.6820985), wk = 0.0034843 k( 74) = ( 0.7985004 -0.2046612 -0.6641359), wk = 0.0034843 k( 75) = ( 0.7915586 -0.1958658 -0.6461733), wk = 0.0034843 k( 76) = ( 0.7846167 -0.1870703 -0.6282107), wk = 0.0034843 k( 77) = ( 0.7776748 -0.1782748 -0.6102481), wk = 0.0034843 k( 78) = ( 0.7707329 -0.1694794 -0.5922856), wk = 0.0034843 k( 79) = ( 0.7637911 -0.1606839 -0.5743230), wk = 0.0034843 k( 80) = ( 0.7568492 -0.1518885 -0.5563604), wk = 0.0034843 k( 81) = ( 0.7499073 -0.1430930 -0.5383978), wk = 0.0034843 k( 82) = ( 0.7429655 -0.1342975 -0.5204353), wk = 0.0034843 k( 83) = ( 0.7360236 -0.1255021 -0.5024727), wk = 0.0034843 k( 84) = ( 0.7290817 -0.1167066 -0.4845101), wk = 0.0034843 k( 85) = ( 0.7221399 -0.1079111 -0.4665475), wk = 0.0034843 k( 86) = ( 0.7151980 -0.0991157 -0.4485849), wk = 0.0034843 k( 87) = ( 0.7082561 -0.0903202 -0.4306224), wk = 0.0034843 k( 88) = ( 0.7013143 -0.0815248 -0.4126598), wk = 0.0034843 k( 89) = ( 0.6943724 -0.0727293 -0.3946972), wk = 0.0034843 k( 90) = ( 0.6874305 -0.0639338 -0.3767346), wk = 0.0034843 k( 91) = ( 0.6804886 -0.0551384 -0.3587721), wk = 0.0034843 k( 92) = ( 0.6735468 -0.0463429 -0.3408095), wk = 0.0034843 k( 93) = ( 0.6666049 -0.0375474 -0.3228469), wk = 0.0034843 k( 94) = ( 0.6596630 -0.0287520 -0.3048843), wk = 0.0034843 k( 95) = ( 0.6527211 -0.0199565 -0.2869217), wk = 0.0034843 k( 96) = ( 0.6457793 -0.0111611 -0.2689592), wk = 0.0034843 k( 97) = ( 0.6388374 -0.0023656 -0.2509966), wk = 0.0034843 k( 98) = ( 0.6318955 0.0064299 -0.2330340), wk = 0.0034843 k( 99) = ( 0.6249537 0.0152253 -0.2150714), wk = 0.0034843 k( 100) = ( 0.6180118 0.0240208 -0.1971088), wk = 0.0034843 k( 101) = ( 0.6110699 0.0328163 -0.1791463), wk = 0.0034843 k( 102) = ( 0.6041281 0.0416117 -0.1611837), wk = 0.0034843 k( 103) = ( 0.5971862 0.0504072 -0.1432211), wk = 0.0034843 k( 104) = ( 0.5902443 0.0592026 -0.1252585), wk = 0.0034843 k( 105) = ( 0.5833025 0.0679981 -0.1072960), wk = 0.0034843 k( 106) = ( 0.5763606 0.0767936 -0.0893334), wk = 0.0034843 k( 107) = ( 0.5694187 0.0855890 -0.0713708), wk = 0.0034843 k( 108) = ( 0.5624768 0.0943845 -0.0534082), wk = 0.0034843 k( 109) = ( 0.5555350 0.1031800 -0.0354456), wk = 0.0034843 k( 110) = ( 0.5485931 0.1119754 -0.0174830), wk = 0.0034843 k( 111) = ( 0.5416512 0.1207709 0.0004795), wk = 0.0034843 k( 112) = ( 0.5347093 0.1295663 0.0184421), wk = 0.0034843 k( 113) = ( 0.5277675 0.1383618 0.0364047), wk = 0.0034843 k( 114) = ( 0.5208256 0.1471573 0.0543673), wk = 0.0034843 k( 115) = ( 0.5138837 0.1559527 0.0723298), wk = 0.0034843 k( 116) = ( 0.5069419 0.1647482 0.0902924), wk = 0.0034843 k( 117) = ( 0.5000000 0.1735436 0.1082550), wk = 0.0034843 k( 118) = ( 0.5000000 0.1735436 0.1082550), wk = 0.0034843 k( 119) = ( 0.4807692 0.1668689 0.1040913), wk = 0.0034843 k( 120) = ( 0.4615385 0.1601941 0.0999277), wk = 0.0034843 k( 121) = ( 0.4423077 0.1535194 0.0957640), wk = 0.0034843 k( 122) = ( 0.4230769 0.1468446 0.0916004), wk = 0.0034843 k( 123) = ( 0.4038462 0.1401699 0.0874367), wk = 0.0034843 k( 124) = ( 0.3846154 0.1334951 0.0832731), wk = 0.0034843 k( 125) = ( 0.3653846 0.1268204 0.0791094), wk = 0.0034843 k( 126) = ( 0.3461538 0.1201456 0.0749458), wk = 0.0034843 k( 127) = ( 0.3269231 0.1134708 0.0707821), wk = 0.0034843 k( 128) = ( 0.3076923 0.1067961 0.0666185), wk = 0.0034843 k( 129) = ( 0.2884615 0.1001213 0.0624548), wk = 0.0034843 k( 130) = ( 0.2692308 0.0934466 0.0582911), wk = 0.0034843 k( 131) = ( 0.2500000 0.0867718 0.0541275), wk = 0.0034843 k( 132) = ( 0.2307692 0.0800971 0.0499638), wk = 0.0034843 k( 133) = ( 0.2115385 0.0734223 0.0458002), wk = 0.0034843 k( 134) = ( 0.1923077 0.0667476 0.0416365), wk = 0.0034843 k( 135) = ( 0.1730769 0.0600728 0.0374729), wk = 0.0034843 k( 136) = ( 0.1538461 0.0533980 0.0333092), wk = 0.0034843 k( 137) = ( 0.1346154 0.0467233 0.0291456), wk = 0.0034843 k( 138) = ( 0.1153846 0.0400485 0.0249819), wk = 0.0034843 k( 139) = ( 0.0961538 0.0333738 0.0208183), wk = 0.0034843 k( 140) = ( 0.0769231 0.0266990 0.0166546), wk = 0.0034843 k( 141) = ( 0.0576923 0.0200243 0.0124910), wk = 0.0034843 k( 142) = ( 0.0384615 0.0133495 0.0083273), wk = 0.0034843 k( 143) = ( 0.0192308 0.0066748 0.0041637), wk = 0.0034843 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 146) = ( 0.0069456 -0.0088002 -0.0179722), wk = 0.0034843 k( 147) = ( 0.0138911 -0.0176003 -0.0359443), wk = 0.0034843 k( 148) = ( 0.0208367 -0.0264005 -0.0539165), wk = 0.0034843 k( 149) = ( 0.0277823 -0.0352006 -0.0718887), wk = 0.0034843 k( 150) = ( 0.0347279 -0.0440008 -0.0898608), wk = 0.0034843 k( 151) = ( 0.0416735 -0.0528009 -0.1078330), wk = 0.0034843 k( 152) = ( 0.0486190 -0.0616011 -0.1258052), wk = 0.0034843 k( 153) = ( 0.0555646 -0.0704013 -0.1437774), wk = 0.0034843 k( 154) = ( 0.0625102 -0.0792014 -0.1617495), wk = 0.0034843 k( 155) = ( 0.0694558 -0.0880016 -0.1797217), wk = 0.0034843 k( 156) = ( 0.0764014 -0.0968017 -0.1976939), wk = 0.0034843 k( 157) = ( 0.0833469 -0.1056019 -0.2156660), wk = 0.0034843 k( 158) = ( 0.0902925 -0.1144021 -0.2336382), wk = 0.0034843 k( 159) = ( 0.0972381 -0.1232022 -0.2516104), wk = 0.0034843 k( 160) = ( 0.1041837 -0.1320024 -0.2695825), wk = 0.0034843 k( 161) = ( 0.1111292 -0.1408025 -0.2875547), wk = 0.0034843 k( 162) = ( 0.1180748 -0.1496027 -0.3055269), wk = 0.0034843 k( 163) = ( 0.1250204 -0.1584028 -0.3234990), wk = 0.0034843 k( 164) = ( 0.1319660 -0.1672030 -0.3414712), wk = 0.0034843 k( 165) = ( 0.1389115 -0.1760032 -0.3594434), wk = 0.0034843 k( 166) = ( 0.1458571 -0.1848033 -0.3774156), wk = 0.0034843 k( 167) = ( 0.1528027 -0.1936035 -0.3953877), wk = 0.0034843 k( 168) = ( 0.1597483 -0.2024036 -0.4133599), wk = 0.0034843 k( 169) = ( 0.1666939 -0.2112038 -0.4313321), wk = 0.0034843 k( 170) = ( 0.1736394 -0.2200040 -0.4493042), wk = 0.0034843 k( 171) = ( 0.1805850 -0.2288041 -0.4672764), wk = 0.0034843 k( 172) = ( 0.1875306 -0.2376043 -0.4852486), wk = 0.0034843 k( 173) = ( 0.1944761 -0.2464044 -0.5032207), wk = 0.0034843 k( 174) = ( 0.2014217 -0.2552046 -0.5211929), wk = 0.0034843 k( 175) = ( 0.2083673 -0.2640047 -0.5391651), wk = 0.0034843 k( 176) = ( 0.2153129 -0.2728049 -0.5571372), wk = 0.0034843 k( 177) = ( 0.2222585 -0.2816051 -0.5751094), wk = 0.0034843 k( 178) = ( 0.2292040 -0.2904052 -0.5930816), wk = 0.0034843 k( 179) = ( 0.2361496 -0.2992054 -0.6110538), wk = 0.0034843 k( 180) = ( 0.2430952 -0.3080055 -0.6290259), wk = 0.0034843 k( 181) = ( 0.2500408 -0.3168057 -0.6469981), wk = 0.0034843 k( 182) = ( 0.2569863 -0.3256059 -0.6649703), wk = 0.0034843 k( 183) = ( 0.2639319 -0.3344060 -0.6829424), wk = 0.0034843 k( 184) = ( 0.2708775 -0.3432062 -0.7009146), wk = 0.0034843 k( 185) = ( 0.2778231 -0.3520063 -0.7188868), wk = 0.0034843 k( 186) = ( 0.2847687 -0.3608065 -0.7368589), wk = 0.0034843 k( 187) = ( 0.2917142 -0.3696066 -0.7548311), wk = 0.0034843 k( 188) = ( 0.2986598 -0.3784068 -0.7728033), wk = 0.0034843 k( 189) = ( 0.3056054 -0.3872070 -0.7907754), wk = 0.0034843 k( 190) = ( 0.3125510 -0.3960071 -0.8087476), wk = 0.0034843 k( 191) = ( 0.3194965 -0.4048073 -0.8267198), wk = 0.0034843 k( 192) = ( 0.3264421 -0.4136074 -0.8446919), wk = 0.0034843 k( 193) = ( 0.3333877 -0.4224076 -0.8626641), wk = 0.0034843 k( 194) = ( 0.3403333 -0.4312078 -0.8806363), wk = 0.0034843 k( 195) = ( 0.3472788 -0.4400079 -0.8986084), wk = 0.0034843 k( 196) = ( 0.6527211 -0.2664643 -0.7903535), wk = 0.0034843 k( 197) = ( 0.6457793 -0.2464639 -0.7903535), wk = 0.0034843 k( 198) = ( 0.6388374 -0.2264635 -0.7903535), wk = 0.0034843 k( 199) = ( 0.6318955 -0.2064632 -0.7903535), wk = 0.0034843 k( 200) = ( 0.6249537 -0.1864628 -0.7903535), wk = 0.0034843 k( 201) = ( 0.6180118 -0.1664625 -0.7903535), wk = 0.0034843 k( 202) = ( 0.6110699 -0.1464621 -0.7903535), wk = 0.0034843 k( 203) = ( 0.6041281 -0.1264617 -0.7903535), wk = 0.0034843 k( 204) = ( 0.5971862 -0.1064614 -0.7903535), wk = 0.0034843 k( 205) = ( 0.5902443 -0.0864610 -0.7903535), wk = 0.0034843 k( 206) = ( 0.5833025 -0.0664607 -0.7903535), wk = 0.0034843 k( 207) = ( 0.5763606 -0.0464603 -0.7903535), wk = 0.0034843 k( 208) = ( 0.5694187 -0.0264600 -0.7903535), wk = 0.0034843 k( 209) = ( 0.5624768 -0.0064596 -0.7903535), wk = 0.0034843 k( 210) = ( 0.5555350 0.0135408 -0.7903535), wk = 0.0034843 k( 211) = ( 0.5485931 0.0335411 -0.7903535), wk = 0.0034843 k( 212) = ( 0.5416512 0.0535415 -0.7903535), wk = 0.0034843 k( 213) = ( 0.5347093 0.0735419 -0.7903535), wk = 0.0034843 k( 214) = ( 0.5277675 0.0935422 -0.7903535), wk = 0.0034843 k( 215) = ( 0.5208256 0.1135426 -0.7903535), wk = 0.0034843 k( 216) = ( 0.5138837 0.1335429 -0.7903535), wk = 0.0034843 k( 217) = ( 0.5069419 0.1535433 -0.7903535), wk = 0.0034843 k( 218) = ( 0.5000000 0.1735436 -0.7903535), wk = 0.0034843 k( 219) = ( 0.5000000 0.1735436 -0.7903535), wk = 0.0034843 k( 220) = ( 0.5152721 0.1788444 -0.7795280), wk = 0.0034843 k( 221) = ( 0.5305442 0.1841452 -0.7687024), wk = 0.0034843 k( 222) = ( 0.5458163 0.1894459 -0.7578770), wk = 0.0034843 k( 223) = ( 0.5610885 0.1947467 -0.7470514), wk = 0.0034843 k( 224) = ( 0.5763606 0.2000474 -0.7362260), wk = 0.0034843 k( 225) = ( 0.5916327 0.2053482 -0.7254004), wk = 0.0034843 k( 226) = ( 0.6069048 0.2106489 -0.7145750), wk = 0.0034843 k( 227) = ( 0.6221769 0.2159497 -0.7037495), wk = 0.0034843 k( 228) = ( 0.6374490 0.2212505 -0.6929240), wk = 0.0034843 k( 229) = ( 0.6527211 0.2265512 -0.6820985), wk = 0.0034843 k( 230) = ( 0.6527211 0.2265512 -0.6820985), wk = 0.0034843 k( 231) = ( 0.6487022 0.2251563 -0.6612997), wk = 0.0034843 k( 232) = ( 0.6446832 0.2237613 -0.6405009), wk = 0.0034843 k( 233) = ( 0.6406642 0.2223664 -0.6197021), wk = 0.0034843 k( 234) = ( 0.6366452 0.2209715 -0.5989034), wk = 0.0034843 k( 235) = ( 0.6326263 0.2195765 -0.5781046), wk = 0.0034843 k( 236) = ( 0.6286073 0.2181816 -0.5573058), wk = 0.0034843 k( 237) = ( 0.6245883 0.2167867 -0.5365070), wk = 0.0034843 k( 238) = ( 0.6205693 0.2153917 -0.5157083), wk = 0.0034843 k( 239) = ( 0.6165504 0.2139968 -0.4949095), wk = 0.0034843 k( 240) = ( 0.6125314 0.2126019 -0.4741107), wk = 0.0034843 k( 241) = ( 0.6085124 0.2112069 -0.4533119), wk = 0.0034843 k( 242) = ( 0.6044934 0.2098120 -0.4325132), wk = 0.0034843 k( 243) = ( 0.6004744 0.2084170 -0.4117144), wk = 0.0034843 k( 244) = ( 0.5964555 0.2070221 -0.3909156), wk = 0.0034843 k( 245) = ( 0.5924365 0.2056272 -0.3701168), wk = 0.0034843 k( 246) = ( 0.5884175 0.2042322 -0.3493181), wk = 0.0034843 k( 247) = ( 0.5843985 0.2028373 -0.3285193), wk = 0.0034843 k( 248) = ( 0.5803795 0.2014424 -0.3077205), wk = 0.0034843 k( 249) = ( 0.5763606 0.2000474 -0.2869217), wk = 0.0034843 k( 250) = ( 0.5723416 0.1986525 -0.2661230), wk = 0.0034843 k( 251) = ( 0.5683226 0.1972576 -0.2453242), wk = 0.0034843 k( 252) = ( 0.5643036 0.1958626 -0.2245254), wk = 0.0034843 k( 253) = ( 0.5602847 0.1944677 -0.2037266), wk = 0.0034843 k( 254) = ( 0.5562657 0.1930728 -0.1829279), wk = 0.0034843 k( 255) = ( 0.5522467 0.1916778 -0.1621291), wk = 0.0034843 k( 256) = ( 0.5482277 0.1902829 -0.1413303), wk = 0.0034843 k( 257) = ( 0.5442088 0.1888879 -0.1205315), wk = 0.0034843 k( 258) = ( 0.5401898 0.1874930 -0.0997328), wk = 0.0034843 k( 259) = ( 0.5361708 0.1860981 -0.0789340), wk = 0.0034843 k( 260) = ( 0.5321518 0.1847031 -0.0581352), wk = 0.0034843 k( 261) = ( 0.5281328 0.1833082 -0.0373364), wk = 0.0034843 k( 262) = ( 0.5241139 0.1819133 -0.0165377), wk = 0.0034843 k( 263) = ( 0.5200949 0.1805183 0.0042611), wk = 0.0034843 k( 264) = ( 0.5160759 0.1791234 0.0250599), wk = 0.0034843 k( 265) = ( 0.5120569 0.1777285 0.0458587), wk = 0.0034843 k( 266) = ( 0.5080380 0.1763335 0.0666574), wk = 0.0034843 k( 267) = ( 0.5040190 0.1749386 0.0874562), wk = 0.0034843 k( 268) = ( 0.5000000 0.1735436 0.1082550), wk = 0.0034843 k( 269) = ( 0.5000000 -0.6335081 -0.3951767), wk = 0.0034843 k( 270) = ( 0.5169690 -0.6238668 -0.3891626), wk = 0.0034843 k( 271) = ( 0.5339380 -0.6142254 -0.3831484), wk = 0.0034843 k( 272) = ( 0.5509070 -0.6045841 -0.3771342), wk = 0.0034843 k( 273) = ( 0.5678761 -0.5949428 -0.3711201), wk = 0.0034843 k( 274) = ( 0.5848451 -0.5853015 -0.3651059), wk = 0.0034843 k( 275) = ( 0.6018141 -0.5756602 -0.3590917), wk = 0.0034843 k( 276) = ( 0.6187831 -0.5660189 -0.3530776), wk = 0.0034843 k( 277) = ( 0.6357521 -0.5563776 -0.3470634), wk = 0.0034843 k( 278) = ( 0.6527211 -0.5467363 -0.3410492), wk = 0.0034843 k( 279) = ( 0.6696902 -0.5370949 -0.3350351), wk = 0.0034843 k( 280) = ( 0.6866592 -0.5274536 -0.3290209), wk = 0.0034843 k( 281) = ( 0.7036282 -0.5178123 -0.3230067), wk = 0.0034843 k( 282) = ( 0.7205972 -0.5081710 -0.3169926), wk = 0.0034843 k( 283) = ( 0.7375662 -0.4985297 -0.3109784), wk = 0.0034843 k( 284) = ( 0.7545353 -0.4888884 -0.3049642), wk = 0.0034843 k( 285) = ( 0.7715043 -0.4792471 -0.2989501), wk = 0.0034843 k( 286) = ( 0.7884733 -0.4696057 -0.2929359), wk = 0.0034843 k( 287) = ( 0.8054423 -0.4599644 -0.2869217), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0034843 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0034843 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0034843 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0034843 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0034843 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0034843 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0034843 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0034843 k( 10) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0034843 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0034843 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0034843 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0034843 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0034843 k( 15) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034843 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0034843 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0034843 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0034843 k( 19) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0034843 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0034843 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0034843 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034843 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0034843 k( 24) = ( 0.2738095 0.0000000 0.0000000), wk = 0.0034843 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0034843 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0034843 k( 27) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0034843 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0034843 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034843 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0034843 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0034843 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0034843 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0034843 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0034843 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0034843 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0034843 k( 37) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0034843 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0034843 k( 39) = ( 0.4523810 -0.0000000 0.0000000), wk = 0.0034843 k( 40) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0034843 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0034843 k( 42) = ( 0.4880952 0.0000000 -0.0000000), wk = 0.0034843 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 45) = ( 0.5000000 0.0069485 -0.0069485), wk = 0.0034843 k( 46) = ( 0.5000000 0.0138970 -0.0138970), wk = 0.0034843 k( 47) = ( 0.5000000 0.0208455 -0.0208455), wk = 0.0034843 k( 48) = ( 0.5000000 0.0277940 -0.0277940), wk = 0.0034843 k( 49) = ( 0.5000000 0.0347425 -0.0347424), wk = 0.0034843 k( 50) = ( 0.5000000 0.0416909 -0.0416909), wk = 0.0034843 k( 51) = ( 0.5000000 0.0486394 -0.0486394), wk = 0.0034843 k( 52) = ( 0.5000000 0.0555879 -0.0555879), wk = 0.0034843 k( 53) = ( 0.5000000 0.0625364 -0.0625364), wk = 0.0034843 k( 54) = ( 0.5000000 0.0694849 -0.0694849), wk = 0.0034843 k( 55) = ( 0.5000000 0.0764334 -0.0764334), wk = 0.0034843 k( 56) = ( 0.5000000 0.0833819 -0.0833819), wk = 0.0034843 k( 57) = ( 0.5000000 0.0903304 -0.0903304), wk = 0.0034843 k( 58) = ( 0.5000000 0.0972789 -0.0972788), wk = 0.0034843 k( 59) = ( 0.5000000 0.1042273 -0.1042273), wk = 0.0034843 k( 60) = ( 0.5000000 0.1111758 -0.1111758), wk = 0.0034843 k( 61) = ( 0.5000000 0.1181243 -0.1181243), wk = 0.0034843 k( 62) = ( 0.5000000 0.1250728 -0.1250728), wk = 0.0034843 k( 63) = ( 0.5000000 0.1320213 -0.1320213), wk = 0.0034843 k( 64) = ( 0.5000000 0.1389698 -0.1389698), wk = 0.0034843 k( 65) = ( 0.5000000 0.1459183 -0.1459183), wk = 0.0034843 k( 66) = ( 0.5000000 0.1528668 -0.1528668), wk = 0.0034843 k( 67) = ( 0.5000000 0.1598153 -0.1598152), wk = 0.0034843 k( 68) = ( 0.5000000 0.1667637 -0.1667637), wk = 0.0034843 k( 69) = ( 0.5000000 0.1737122 -0.1737122), wk = 0.0034843 k( 70) = ( 0.5000000 0.1806607 -0.1806607), wk = 0.0034843 k( 71) = ( 0.5000000 0.1876092 -0.1876092), wk = 0.0034843 k( 72) = ( 0.5000000 0.1945577 -0.1945577), wk = 0.0034843 k( 73) = ( 0.8054423 0.5000000 0.1945577), wk = 0.0034843 k( 74) = ( 0.7985004 0.5000000 0.2014996), wk = 0.0034843 k( 75) = ( 0.7915586 0.5000000 0.2084414), wk = 0.0034843 k( 76) = ( 0.7846167 0.5000000 0.2153833), wk = 0.0034843 k( 77) = ( 0.7776748 0.5000000 0.2223252), wk = 0.0034843 k( 78) = ( 0.7707329 0.5000000 0.2292671), wk = 0.0034843 k( 79) = ( 0.7637911 0.5000000 0.2362089), wk = 0.0034843 k( 80) = ( 0.7568492 0.5000000 0.2431508), wk = 0.0034843 k( 81) = ( 0.7499073 0.5000000 0.2500927), wk = 0.0034843 k( 82) = ( 0.7429655 0.5000000 0.2570345), wk = 0.0034843 k( 83) = ( 0.7360236 0.5000000 0.2639764), wk = 0.0034843 k( 84) = ( 0.7290817 0.5000000 0.2709183), wk = 0.0034843 k( 85) = ( 0.7221399 0.5000000 0.2778601), wk = 0.0034843 k( 86) = ( 0.7151980 0.5000000 0.2848020), wk = 0.0034843 k( 87) = ( 0.7082561 0.5000000 0.2917439), wk = 0.0034843 k( 88) = ( 0.7013143 0.5000000 0.2986858), wk = 0.0034843 k( 89) = ( 0.6943724 0.5000000 0.3056276), wk = 0.0034843 k( 90) = ( 0.6874305 0.5000000 0.3125695), wk = 0.0034843 k( 91) = ( 0.6804886 0.5000000 0.3195114), wk = 0.0034843 k( 92) = ( 0.6735468 0.5000000 0.3264532), wk = 0.0034843 k( 93) = ( 0.6666049 0.5000000 0.3333951), wk = 0.0034843 k( 94) = ( 0.6596630 0.5000000 0.3403370), wk = 0.0034843 k( 95) = ( 0.6527211 0.5000000 0.3472788), wk = 0.0034843 k( 96) = ( 0.6457793 0.5000000 0.3542207), wk = 0.0034843 k( 97) = ( 0.6388374 0.5000000 0.3611626), wk = 0.0034843 k( 98) = ( 0.6318955 0.5000000 0.3681045), wk = 0.0034843 k( 99) = ( 0.6249537 0.5000000 0.3750463), wk = 0.0034843 k( 100) = ( 0.6180118 0.5000000 0.3819882), wk = 0.0034843 k( 101) = ( 0.6110699 0.5000000 0.3889301), wk = 0.0034843 k( 102) = ( 0.6041281 0.5000000 0.3958719), wk = 0.0034843 k( 103) = ( 0.5971862 0.5000000 0.4028138), wk = 0.0034843 k( 104) = ( 0.5902443 0.5000000 0.4097557), wk = 0.0034843 k( 105) = ( 0.5833025 0.5000000 0.4166976), wk = 0.0034843 k( 106) = ( 0.5763606 0.5000000 0.4236394), wk = 0.0034843 k( 107) = ( 0.5694187 0.5000000 0.4305813), wk = 0.0034843 k( 108) = ( 0.5624768 0.5000000 0.4375232), wk = 0.0034843 k( 109) = ( 0.5555350 0.5000000 0.4444650), wk = 0.0034843 k( 110) = ( 0.5485931 0.5000000 0.4514069), wk = 0.0034843 k( 111) = ( 0.5416512 0.5000000 0.4583488), wk = 0.0034843 k( 112) = ( 0.5347093 0.5000000 0.4652906), wk = 0.0034843 k( 113) = ( 0.5277675 0.5000000 0.4722325), wk = 0.0034843 k( 114) = ( 0.5208256 0.5000000 0.4791744), wk = 0.0034843 k( 115) = ( 0.5138837 0.5000000 0.4861163), wk = 0.0034843 k( 116) = ( 0.5069419 0.5000000 0.4930581), wk = 0.0034843 k( 117) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 118) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 119) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0034843 k( 120) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034843 k( 121) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0034843 k( 122) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034843 k( 123) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0034843 k( 124) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034843 k( 125) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0034843 k( 126) = ( 0.3461538 0.3461539 0.3461538), wk = 0.0034843 k( 127) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0034843 k( 128) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034843 k( 129) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0034843 k( 130) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034843 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 132) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034843 k( 133) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0034843 k( 134) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034843 k( 135) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0034843 k( 136) = ( 0.1538461 0.1538462 0.1538461), wk = 0.0034843 k( 137) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0034843 k( 138) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034843 k( 139) = ( 0.0961538 0.0961539 0.0961538), wk = 0.0034843 k( 140) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034843 k( 141) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0034843 k( 142) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034843 k( 143) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0034843 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 146) = ( 0.0069456 0.0000000 -0.0069456), wk = 0.0034843 k( 147) = ( 0.0138911 0.0000000 -0.0138911), wk = 0.0034843 k( 148) = ( 0.0208367 0.0000000 -0.0208367), wk = 0.0034843 k( 149) = ( 0.0277823 -0.0000000 -0.0277823), wk = 0.0034843 k( 150) = ( 0.0347279 0.0000000 -0.0347279), wk = 0.0034843 k( 151) = ( 0.0416735 0.0000000 -0.0416735), wk = 0.0034843 k( 152) = ( 0.0486190 0.0000000 -0.0486190), wk = 0.0034843 k( 153) = ( 0.0555646 -0.0000000 -0.0555646), wk = 0.0034843 k( 154) = ( 0.0625102 0.0000000 -0.0625102), wk = 0.0034843 k( 155) = ( 0.0694558 0.0000000 -0.0694558), wk = 0.0034843 k( 156) = ( 0.0764014 0.0000000 -0.0764013), wk = 0.0034843 k( 157) = ( 0.0833469 0.0000000 -0.0833469), wk = 0.0034843 k( 158) = ( 0.0902925 -0.0000000 -0.0902925), wk = 0.0034843 k( 159) = ( 0.0972381 0.0000000 -0.0972381), wk = 0.0034843 k( 160) = ( 0.1041837 0.0000000 -0.1041836), wk = 0.0034843 k( 161) = ( 0.1111292 0.0000000 -0.1111292), wk = 0.0034843 k( 162) = ( 0.1180748 0.0000000 -0.1180748), wk = 0.0034843 k( 163) = ( 0.1250204 0.0000000 -0.1250204), wk = 0.0034843 k( 164) = ( 0.1319660 0.0000000 -0.1319660), wk = 0.0034843 k( 165) = ( 0.1389115 0.0000000 -0.1389115), wk = 0.0034843 k( 166) = ( 0.1458571 0.0000000 -0.1458571), wk = 0.0034843 k( 167) = ( 0.1528027 0.0000000 -0.1528027), wk = 0.0034843 k( 168) = ( 0.1597483 0.0000000 -0.1597483), wk = 0.0034843 k( 169) = ( 0.1666939 -0.0000000 -0.1666938), wk = 0.0034843 k( 170) = ( 0.1736394 0.0000000 -0.1736394), wk = 0.0034843 k( 171) = ( 0.1805850 -0.0000000 -0.1805850), wk = 0.0034843 k( 172) = ( 0.1875306 0.0000000 -0.1875306), wk = 0.0034843 k( 173) = ( 0.1944761 -0.0000000 -0.1944761), wk = 0.0034843 k( 174) = ( 0.2014217 0.0000000 -0.2014217), wk = 0.0034843 k( 175) = ( 0.2083673 0.0000000 -0.2083673), wk = 0.0034843 k( 176) = ( 0.2153129 0.0000000 -0.2153129), wk = 0.0034843 k( 177) = ( 0.2222585 0.0000000 -0.2222585), wk = 0.0034843 k( 178) = ( 0.2292040 0.0000000 -0.2292040), wk = 0.0034843 k( 179) = ( 0.2361496 0.0000000 -0.2361496), wk = 0.0034843 k( 180) = ( 0.2430952 0.0000000 -0.2430952), wk = 0.0034843 k( 181) = ( 0.2500408 0.0000000 -0.2500408), wk = 0.0034843 k( 182) = ( 0.2569863 0.0000000 -0.2569863), wk = 0.0034843 k( 183) = ( 0.2639319 0.0000000 -0.2639319), wk = 0.0034843 k( 184) = ( 0.2708775 0.0000000 -0.2708775), wk = 0.0034843 k( 185) = ( 0.2778231 0.0000000 -0.2778231), wk = 0.0034843 k( 186) = ( 0.2847687 0.0000000 -0.2847687), wk = 0.0034843 k( 187) = ( 0.2917142 0.0000000 -0.2917142), wk = 0.0034843 k( 188) = ( 0.2986598 0.0000000 -0.2986598), wk = 0.0034843 k( 189) = ( 0.3056054 0.0000000 -0.3056054), wk = 0.0034843 k( 190) = ( 0.3125510 -0.0000000 -0.3125510), wk = 0.0034843 k( 191) = ( 0.3194965 0.0000000 -0.3194965), wk = 0.0034843 k( 192) = ( 0.3264421 0.0000000 -0.3264421), wk = 0.0034843 k( 193) = ( 0.3333877 0.0000000 -0.3333877), wk = 0.0034843 k( 194) = ( 0.3403333 -0.0000000 -0.3403333), wk = 0.0034843 k( 195) = ( 0.3472788 0.0000000 -0.3472788), wk = 0.0034843 k( 196) = ( 0.6527211 0.3472788 0.0000000), wk = 0.0034843 k( 197) = ( 0.6457793 0.3542207 0.0000000), wk = 0.0034843 k( 198) = ( 0.6388374 0.3611626 0.0000000), wk = 0.0034843 k( 199) = ( 0.6318955 0.3681045 0.0000000), wk = 0.0034843 k( 200) = ( 0.6249537 0.3750463 0.0000000), wk = 0.0034843 k( 201) = ( 0.6180118 0.3819882 0.0000000), wk = 0.0034843 k( 202) = ( 0.6110699 0.3889301 0.0000000), wk = 0.0034843 k( 203) = ( 0.6041281 0.3958719 0.0000000), wk = 0.0034843 k( 204) = ( 0.5971862 0.4028138 0.0000000), wk = 0.0034843 k( 205) = ( 0.5902443 0.4097557 0.0000000), wk = 0.0034843 k( 206) = ( 0.5833025 0.4166976 0.0000000), wk = 0.0034843 k( 207) = ( 0.5763606 0.4236394 0.0000000), wk = 0.0034843 k( 208) = ( 0.5694187 0.4305813 -0.0000000), wk = 0.0034843 k( 209) = ( 0.5624768 0.4375232 0.0000000), wk = 0.0034843 k( 210) = ( 0.5555350 0.4444650 0.0000000), wk = 0.0034843 k( 211) = ( 0.5485931 0.4514069 0.0000000), wk = 0.0034843 k( 212) = ( 0.5416512 0.4583488 -0.0000000), wk = 0.0034843 k( 213) = ( 0.5347093 0.4652906 0.0000000), wk = 0.0034843 k( 214) = ( 0.5277675 0.4722325 0.0000000), wk = 0.0034843 k( 215) = ( 0.5208256 0.4791744 0.0000000), wk = 0.0034843 k( 216) = ( 0.5138837 0.4861163 0.0000000), wk = 0.0034843 k( 217) = ( 0.5069419 0.4930581 0.0000000), wk = 0.0034843 k( 218) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 219) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 220) = ( 0.5152721 0.5152721 0.0194558), wk = 0.0034843 k( 221) = ( 0.5305442 0.5305442 0.0389115), wk = 0.0034843 k( 222) = ( 0.5458163 0.5458163 0.0583673), wk = 0.0034843 k( 223) = ( 0.5610885 0.5610885 0.0778231), wk = 0.0034843 k( 224) = ( 0.5763606 0.5763606 0.0972789), wk = 0.0034843 k( 225) = ( 0.5916327 0.5916327 0.1167346), wk = 0.0034843 k( 226) = ( 0.6069048 0.6069048 0.1361904), wk = 0.0034843 k( 227) = ( 0.6221769 0.6221769 0.1556462), wk = 0.0034843 k( 228) = ( 0.6374490 0.6374490 0.1751019), wk = 0.0034843 k( 229) = ( 0.6527211 0.6527211 0.1945577), wk = 0.0034843 k( 230) = ( 0.6527211 0.6527211 0.1945577), wk = 0.0034843 k( 231) = ( 0.6487022 0.6487022 0.2025956), wk = 0.0034843 k( 232) = ( 0.6446832 0.6446832 0.2106336), wk = 0.0034843 k( 233) = ( 0.6406642 0.6406642 0.2186716), wk = 0.0034843 k( 234) = ( 0.6366452 0.6366452 0.2267095), wk = 0.0034843 k( 235) = ( 0.6326263 0.6326263 0.2347475), wk = 0.0034843 k( 236) = ( 0.6286073 0.6286073 0.2427854), wk = 0.0034843 k( 237) = ( 0.6245883 0.6245883 0.2508234), wk = 0.0034843 k( 238) = ( 0.6205693 0.6205693 0.2588613), wk = 0.0034843 k( 239) = ( 0.6165504 0.6165504 0.2668993), wk = 0.0034843 k( 240) = ( 0.6125314 0.6125314 0.2749373), wk = 0.0034843 k( 241) = ( 0.6085124 0.6085124 0.2829752), wk = 0.0034843 k( 242) = ( 0.6044934 0.6044934 0.2910132), wk = 0.0034843 k( 243) = ( 0.6004744 0.6004744 0.2990511), wk = 0.0034843 k( 244) = ( 0.5964555 0.5964555 0.3070891), wk = 0.0034843 k( 245) = ( 0.5924365 0.5924365 0.3151270), wk = 0.0034843 k( 246) = ( 0.5884175 0.5884175 0.3231650), wk = 0.0034843 k( 247) = ( 0.5843985 0.5843985 0.3312029), wk = 0.0034843 k( 248) = ( 0.5803795 0.5803795 0.3392409), wk = 0.0034843 k( 249) = ( 0.5763606 0.5763606 0.3472789), wk = 0.0034843 k( 250) = ( 0.5723416 0.5723416 0.3553168), wk = 0.0034843 k( 251) = ( 0.5683226 0.5683226 0.3633548), wk = 0.0034843 k( 252) = ( 0.5643036 0.5643036 0.3713927), wk = 0.0034843 k( 253) = ( 0.5602847 0.5602847 0.3794307), wk = 0.0034843 k( 254) = ( 0.5562657 0.5562657 0.3874686), wk = 0.0034843 k( 255) = ( 0.5522467 0.5522467 0.3955066), wk = 0.0034843 k( 256) = ( 0.5482277 0.5482277 0.4035445), wk = 0.0034843 k( 257) = ( 0.5442088 0.5442088 0.4115825), wk = 0.0034843 k( 258) = ( 0.5401898 0.5401898 0.4196204), wk = 0.0034843 k( 259) = ( 0.5361708 0.5361708 0.4276584), wk = 0.0034843 k( 260) = ( 0.5321518 0.5321518 0.4356964), wk = 0.0034843 k( 261) = ( 0.5281328 0.5281328 0.4437343), wk = 0.0034843 k( 262) = ( 0.5241139 0.5241139 0.4517723), wk = 0.0034843 k( 263) = ( 0.5200949 0.5200949 0.4598102), wk = 0.0034843 k( 264) = ( 0.5160759 0.5160759 0.4678482), wk = 0.0034843 k( 265) = ( 0.5120569 0.5120569 0.4758861), wk = 0.0034843 k( 266) = ( 0.5080380 0.5080380 0.4839241), wk = 0.0034843 k( 267) = ( 0.5040190 0.5040190 0.4919620), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 269) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 270) = ( 0.5169690 0.0192933 0.0192933), wk = 0.0034843 k( 271) = ( 0.5339380 0.0385865 0.0385865), wk = 0.0034843 k( 272) = ( 0.5509070 0.0578798 0.0578798), wk = 0.0034843 k( 273) = ( 0.5678761 0.0771731 0.0771731), wk = 0.0034843 k( 274) = ( 0.5848451 0.0964664 0.0964664), wk = 0.0034843 k( 275) = ( 0.6018141 0.1157596 0.1157596), wk = 0.0034843 k( 276) = ( 0.6187831 0.1350529 0.1350529), wk = 0.0034843 k( 277) = ( 0.6357521 0.1543462 0.1543461), wk = 0.0034843 k( 278) = ( 0.6527211 0.1736394 0.1736394), wk = 0.0034843 k( 279) = ( 0.6696902 0.1929327 0.1929327), wk = 0.0034843 k( 280) = ( 0.6866592 0.2122260 0.2122260), wk = 0.0034843 k( 281) = ( 0.7036282 0.2315192 0.2315192), wk = 0.0034843 k( 282) = ( 0.7205972 0.2508125 0.2508125), wk = 0.0034843 k( 283) = ( 0.7375662 0.2701058 0.2701058), wk = 0.0034843 k( 284) = ( 0.7545353 0.2893990 0.2893990), wk = 0.0034843 k( 285) = ( 0.7715043 0.3086923 0.3086923), wk = 0.0034843 k( 286) = ( 0.7884733 0.3279856 0.3279856), wk = 0.0034843 k( 287) = ( 0.8054423 0.3472789 0.3472788), wk = 0.0034843 Dense grid: 310677 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 70447 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 496, 62) NL pseudopotentials 0.55 Mb ( 248, 146) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.07 Mb ( 8630) G-vector shells 0.05 Mb ( 6869) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.88 Mb ( 496, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.28 Mb ( 146, 2, 62) The potential is recalculated from file : ./KBe2BO3F2.save/charge-density.dat negative rho (up, down): 1.277E-04 0.000E+00 Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.5 secs Computing kpt #: 2 total cpu time spent up to now is 11.1 secs Computing kpt #: 3 total cpu time spent up to now is 13.6 secs Computing kpt #: 4 total cpu time spent up to now is 16.6 secs Computing kpt #: 5 total cpu time spent up to now is 19.5 secs Computing kpt #: 6 total cpu time spent up to now is 22.2 secs Computing kpt #: 7 total cpu time spent up to now is 24.7 secs Computing kpt #: 8 total cpu time spent up to now is 27.5 secs Computing kpt #: 9 total cpu time spent up to now is 30.2 secs Computing kpt #: 10 total cpu time spent up to now is 32.9 secs Computing kpt #: 11 total cpu time spent up to now is 35.6 secs Computing kpt #: 12 total cpu time spent up to now is 38.3 secs Computing kpt #: 13 total cpu time spent up to now is 41.1 secs Computing kpt #: 14 total cpu time spent up to now is 43.9 secs Computing kpt #: 15 total cpu time spent up to now is 46.6 secs Computing kpt #: 16 total cpu time spent up to now is 49.4 secs Computing kpt #: 17 total cpu time spent up to now is 52.5 secs Computing kpt #: 18 total cpu time spent up to now is 54.8 secs Computing kpt #: 19 total cpu time spent up to now is 57.1 secs Computing kpt #: 20 total cpu time spent up to now is 60.3 secs Computing kpt #: 21 total cpu time spent up to now is 62.6 secs Computing kpt #: 22 total cpu time spent up to now is 64.9 secs Computing kpt #: 23 total cpu time spent up to now is 67.2 secs Computing kpt #: 24 total cpu time spent up to now is 69.4 secs Computing kpt #: 25 total cpu time spent up to now is 71.8 secs Computing kpt #: 26 total cpu time spent up to now is 74.1 secs Computing kpt #: 27 total cpu time spent up to now is 76.5 secs Computing kpt #: 28 total cpu time spent up to now is 78.8 secs Computing kpt #: 29 total cpu time spent up to now is 81.1 secs Computing kpt #: 30 total cpu time spent up to now is 83.4 secs Computing kpt #: 31 total cpu time spent up to now is 85.7 secs Computing kpt #: 32 total cpu time spent up to now is 87.9 secs Computing kpt #: 33 total cpu time spent up to now is 90.1 secs Computing kpt #: 34 total cpu time spent up to now is 92.3 secs Computing kpt #: 35 total cpu time spent up to now is 94.6 secs Computing kpt #: 36 total cpu time spent up to now is 96.8 secs Computing kpt #: 37 total cpu time spent up to now is 99.0 secs Computing kpt #: 38 total cpu time spent up to now is 101.3 secs Computing kpt #: 39 total cpu time spent up to now is 103.6 secs Computing kpt #: 40 total cpu time spent up to now is 105.8 secs Computing kpt #: 41 total cpu time spent up to now is 107.9 secs Computing kpt #: 42 total cpu time spent up to now is 110.2 secs Computing kpt #: 43 total cpu time spent up to now is 112.5 secs Computing kpt #: 44 total cpu time spent up to now is 114.6 secs Computing kpt #: 45 total cpu time spent up to now is 116.8 secs Computing kpt #: 46 total cpu time spent up to now is 119.1 secs Computing kpt #: 47 total cpu time spent up to now is 121.4 secs Computing kpt #: 48 total cpu time spent up to now is 123.6 secs Computing kpt #: 49 total cpu time spent up to now is 125.9 secs Computing kpt #: 50 total cpu time spent up to now is 128.1 secs Computing kpt #: 51 total cpu time spent up to now is 130.3 secs Computing kpt #: 52 total cpu time spent up to now is 132.6 secs Computing kpt #: 53 total cpu time spent up to now is 134.8 secs Computing kpt #: 54 total cpu time spent up to now is 137.1 secs Computing kpt #: 55 total cpu time spent up to now is 139.3 secs Computing kpt #: 56 total cpu time spent up to now is 141.6 secs Computing kpt #: 57 total cpu time spent up to now is 144.0 secs Computing kpt #: 58 total cpu time spent up to now is 146.2 secs Computing kpt #: 59 total cpu time spent up to now is 148.4 secs Computing kpt #: 60 total cpu time spent up to now is 150.6 secs Computing kpt #: 61 total cpu time spent up to now is 152.8 secs Computing kpt #: 62 total cpu time spent up to now is 155.0 secs Computing kpt #: 63 total cpu time spent up to now is 157.2 secs Computing kpt #: 64 total cpu time spent up to now is 159.5 secs Computing kpt #: 65 total cpu time spent up to now is 161.7 secs Computing kpt #: 66 total cpu time spent up to now is 163.8 secs Computing kpt #: 67 total cpu time spent up to now is 165.9 secs Computing kpt #: 68 total cpu time spent up to now is 168.6 secs Computing kpt #: 69 total cpu time spent up to now is 170.7 secs Computing kpt #: 70 total cpu time spent up to now is 172.8 secs Computing kpt #: 71 total cpu time spent up to now is 174.9 secs Computing kpt #: 72 total cpu time spent up to now is 177.0 secs Computing kpt #: 73 total cpu time spent up to now is 179.1 secs Computing kpt #: 74 total cpu time spent up to now is 181.3 secs Computing kpt #: 75 total cpu time spent up to now is 183.4 secs Computing kpt #: 76 total cpu time spent up to now is 185.6 secs Computing kpt #: 77 total cpu time spent up to now is 187.7 secs Computing kpt #: 78 total cpu time spent up to now is 189.8 secs Computing kpt #: 79 total cpu time spent up to now is 192.0 secs Computing kpt #: 80 total cpu time spent up to now is 194.1 secs Computing kpt #: 81 total cpu time spent up to now is 196.2 secs Computing kpt #: 82 total cpu time spent up to now is 198.3 secs Computing kpt #: 83 total cpu time spent up to now is 200.5 secs Computing kpt #: 84 total cpu time spent up to now is 202.6 secs Computing kpt #: 85 total cpu time spent up to now is 204.7 secs Computing kpt #: 86 total cpu time spent up to now is 206.7 secs Computing kpt #: 87 total cpu time spent up to now is 208.8 secs Computing kpt #: 88 total cpu time spent up to now is 210.9 secs Computing kpt #: 89 total cpu time spent up to now is 213.1 secs Computing kpt #: 90 total cpu time spent up to now is 215.2 secs Computing kpt #: 91 total cpu time spent up to now is 217.3 secs Computing kpt #: 92 total cpu time spent up to now is 219.3 secs Computing kpt #: 93 total cpu time spent up to now is 221.4 secs Computing kpt #: 94 total cpu time spent up to now is 223.5 secs Computing kpt #: 95 total cpu time spent up to now is 225.6 secs Computing kpt #: 96 total cpu time spent up to now is 227.7 secs Computing kpt #: 97 total cpu time spent up to now is 229.7 secs Computing kpt #: 98 total cpu time spent up to now is 232.0 secs Computing kpt #: 99 total cpu time spent up to now is 234.2 secs Computing kpt #: 100 total cpu time spent up to now is 236.5 secs Computing kpt #: 101 total cpu time spent up to now is 238.8 secs Computing kpt #: 102 total cpu time spent up to now is 241.5 secs Computing kpt #: 103 total cpu time spent up to now is 244.3 secs Computing kpt #: 104 total cpu time spent up to now is 247.4 secs Computing kpt #: 105 total cpu time spent up to now is 250.1 secs Computing kpt #: 106 total cpu time spent up to now is 252.9 secs Computing kpt #: 107 total cpu time spent up to now is 255.5 secs Computing kpt #: 108 total cpu time spent up to now is 258.2 secs Computing kpt #: 109 total cpu time spent up to now is 260.8 secs Computing kpt #: 110 total cpu time spent up to now is 263.3 secs Computing kpt #: 111 total cpu time spent up to now is 265.9 secs Computing kpt #: 112 total cpu time spent up to now is 268.4 secs Computing kpt #: 113 total cpu time spent up to now is 270.9 secs Computing kpt #: 114 total cpu time spent up to now is 273.4 secs Computing kpt #: 115 total cpu time spent up to now is 275.9 secs Computing kpt #: 116 total cpu time spent up to now is 278.1 secs Computing kpt #: 117 total cpu time spent up to now is 280.4 secs Computing kpt #: 118 total cpu time spent up to now is 282.9 secs Computing kpt #: 119 total cpu time spent up to now is 285.2 secs Computing kpt #: 120 total cpu time spent up to now is 288.4 secs Computing kpt #: 121 total cpu time spent up to now is 290.9 secs Computing kpt #: 122 total cpu time spent up to now is 293.4 secs Computing kpt #: 123 total cpu time spent up to now is 295.9 secs Computing kpt #: 124 total cpu time spent up to now is 298.4 secs Computing kpt #: 125 total cpu time spent up to now is 301.1 secs Computing kpt #: 126 total cpu time spent up to now is 303.6 secs Computing kpt #: 127 total cpu time spent up to now is 305.8 secs Computing kpt #: 128 total cpu time spent up to now is 308.3 secs Computing kpt #: 129 total cpu time spent up to now is 310.5 secs Computing kpt #: 130 total cpu time spent up to now is 312.7 secs Computing kpt #: 131 total cpu time spent up to now is 315.0 secs Computing kpt #: 132 total cpu time spent up to now is 317.9 secs Computing kpt #: 133 total cpu time spent up to now is 320.1 secs Computing kpt #: 134 total cpu time spent up to now is 322.6 secs Computing kpt #: 135 total cpu time spent up to now is 324.8 secs Computing kpt #: 136 total cpu time spent up to now is 327.2 secs Computing kpt #: 137 total cpu time spent up to now is 329.5 secs Computing kpt #: 138 total cpu time spent up to now is 331.7 secs Computing kpt #: 139 total cpu time spent up to now is 334.1 secs Computing kpt #: 140 total cpu time spent up to now is 336.6 secs Computing kpt #: 141 total cpu time spent up to now is 339.1 secs Computing kpt #: 142 total cpu time spent up to now is 341.6 secs Computing kpt #: 143 total cpu time spent up to now is 344.3 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.2 secs Computing kpt #: 145 total cpu time spent up to now is 350.1 secs Computing kpt #: 146 total cpu time spent up to now is 352.7 secs Computing kpt #: 147 total cpu time spent up to now is 355.3 secs Computing kpt #: 148 total cpu time spent up to now is 357.8 secs Computing kpt #: 149 total cpu time spent up to now is 360.3 secs Computing kpt #: 150 total cpu time spent up to now is 363.0 secs Computing kpt #: 151 total cpu time spent up to now is 365.7 secs Computing kpt #: 152 total cpu time spent up to now is 368.5 secs Computing kpt #: 153 total cpu time spent up to now is 371.2 secs Computing kpt #: 154 total cpu time spent up to now is 373.8 secs Computing kpt #: 155 total cpu time spent up to now is 376.5 secs Computing kpt #: 156 total cpu time spent up to now is 379.1 secs Computing kpt #: 157 total cpu time spent up to now is 381.9 secs Computing kpt #: 158 total cpu time spent up to now is 384.7 secs Computing kpt #: 159 total cpu time spent up to now is 387.3 secs Computing kpt #: 160 total cpu time spent up to now is 390.0 secs Computing kpt #: 161 total cpu time spent up to now is 392.3 secs Computing kpt #: 162 total cpu time spent up to now is 394.5 secs Computing kpt #: 163 total cpu time spent up to now is 396.8 secs Computing kpt #: 164 total cpu time spent up to now is 399.1 secs Computing kpt #: 165 total cpu time spent up to now is 401.3 secs Computing kpt #: 166 total cpu time spent up to now is 403.9 secs Computing kpt #: 167 total cpu time spent up to now is 406.1 secs Computing kpt #: 168 total cpu time spent up to now is 408.2 secs Computing kpt #: 169 total cpu time spent up to now is 410.4 secs Computing kpt #: 170 total cpu time spent up to now is 412.6 secs Computing kpt #: 171 total cpu time spent up to now is 414.7 secs Computing kpt #: 172 total cpu time spent up to now is 416.9 secs Computing kpt #: 173 total cpu time spent up to now is 419.1 secs Computing kpt #: 174 total cpu time spent up to now is 421.3 secs Computing kpt #: 175 total cpu time spent up to now is 423.4 secs Computing kpt #: 176 total cpu time spent up to now is 425.6 secs Computing kpt #: 177 total cpu time spent up to now is 427.8 secs Computing kpt #: 178 total cpu time spent up to now is 430.0 secs Computing kpt #: 179 total cpu time spent up to now is 432.2 secs Computing kpt #: 180 total cpu time spent up to now is 434.5 secs Computing kpt #: 181 total cpu time spent up to now is 436.7 secs Computing kpt #: 182 total cpu time spent up to now is 438.9 secs Computing kpt #: 183 total cpu time spent up to now is 441.1 secs Computing kpt #: 184 total cpu time spent up to now is 443.4 secs Computing kpt #: 185 total cpu time spent up to now is 445.5 secs Computing kpt #: 186 total cpu time spent up to now is 447.7 secs Computing kpt #: 187 total cpu time spent up to now is 449.9 secs Computing kpt #: 188 total cpu time spent up to now is 452.1 secs Computing kpt #: 189 total cpu time spent up to now is 454.3 secs Computing kpt #: 190 total cpu time spent up to now is 456.5 secs Computing kpt #: 191 total cpu time spent up to now is 458.7 secs Computing kpt #: 192 total cpu time spent up to now is 460.8 secs Computing kpt #: 193 total cpu time spent up to now is 463.0 secs Computing kpt #: 194 total cpu time spent up to now is 465.2 secs Computing kpt #: 195 total cpu time spent up to now is 467.3 secs Computing kpt #: 196 total cpu time spent up to now is 469.4 secs Computing kpt #: 197 total cpu time spent up to now is 471.5 secs Computing kpt #: 198 total cpu time spent up to now is 473.6 secs Computing kpt #: 199 total cpu time spent up to now is 475.7 secs Computing kpt #: 200 total cpu time spent up to now is 477.8 secs Computing kpt #: 201 total cpu time spent up to now is 480.0 secs Computing kpt #: 202 total cpu time spent up to now is 482.2 secs Computing kpt #: 203 total cpu time spent up to now is 484.4 secs Computing kpt #: 204 total cpu time spent up to now is 486.7 secs Computing kpt #: 205 total cpu time spent up to now is 489.0 secs Computing kpt #: 206 total cpu time spent up to now is 491.3 secs Computing kpt #: 207 total cpu time spent up to now is 493.5 secs Computing kpt #: 208 total cpu time spent up to now is 495.7 secs Computing kpt #: 209 total cpu time spent up to now is 498.0 secs Computing kpt #: 210 total cpu time spent up to now is 500.2 secs Computing kpt #: 211 total cpu time spent up to now is 502.4 secs Computing kpt #: 212 total cpu time spent up to now is 504.6 secs Computing kpt #: 213 total cpu time spent up to now is 506.9 secs Computing kpt #: 214 total cpu time spent up to now is 509.2 secs Computing kpt #: 215 total cpu time spent up to now is 511.8 secs Computing kpt #: 216 total cpu time spent up to now is 514.1 secs Computing kpt #: 217 total cpu time spent up to now is 516.4 secs Computing kpt #: 218 total cpu time spent up to now is 518.7 secs Computing kpt #: 219 total cpu time spent up to now is 521.0 secs Computing kpt #: 220 total cpu time spent up to now is 523.4 secs Computing kpt #: 221 total cpu time spent up to now is 525.9 secs Computing kpt #: 222 total cpu time spent up to now is 528.1 secs Computing kpt #: 223 total cpu time spent up to now is 530.5 secs Computing kpt #: 224 total cpu time spent up to now is 532.7 secs Computing kpt #: 225 total cpu time spent up to now is 534.8 secs Computing kpt #: 226 total cpu time spent up to now is 537.0 secs Computing kpt #: 227 total cpu time spent up to now is 539.1 secs Computing kpt #: 228 total cpu time spent up to now is 541.3 secs Computing kpt #: 229 total cpu time spent up to now is 543.3 secs Computing kpt #: 230 total cpu time spent up to now is 545.4 secs Computing kpt #: 231 total cpu time spent up to now is 547.6 secs Computing kpt #: 232 total cpu time spent up to now is 549.7 secs Computing kpt #: 233 total cpu time spent up to now is 551.9 secs Computing kpt #: 234 total cpu time spent up to now is 554.0 secs Computing kpt #: 235 total cpu time spent up to now is 556.1 secs Computing kpt #: 236 total cpu time spent up to now is 558.3 secs Computing kpt #: 237 total cpu time spent up to now is 560.5 secs Computing kpt #: 238 total cpu time spent up to now is 562.6 secs Computing kpt #: 239 total cpu time spent up to now is 564.8 secs Computing kpt #: 240 total cpu time spent up to now is 566.9 secs Computing kpt #: 241 total cpu time spent up to now is 569.0 secs Computing kpt #: 242 total cpu time spent up to now is 571.1 secs Computing kpt #: 243 total cpu time spent up to now is 573.2 secs Computing kpt #: 244 total cpu time spent up to now is 575.3 secs Computing kpt #: 245 total cpu time spent up to now is 577.4 secs Computing kpt #: 246 total cpu time spent up to now is 579.7 secs Computing kpt #: 247 total cpu time spent up to now is 582.0 secs Computing kpt #: 248 total cpu time spent up to now is 584.2 secs Computing kpt #: 249 total cpu time spent up to now is 586.3 secs Computing kpt #: 250 total cpu time spent up to now is 589.0 secs Computing kpt #: 251 total cpu time spent up to now is 591.2 secs Computing kpt #: 252 total cpu time spent up to now is 593.9 secs Computing kpt #: 253 total cpu time spent up to now is 596.2 secs Computing kpt #: 254 total cpu time spent up to now is 598.9 secs Computing kpt #: 255 total cpu time spent up to now is 601.7 secs Computing kpt #: 256 total cpu time spent up to now is 604.9 secs Computing kpt #: 257 total cpu time spent up to now is 607.4 secs Computing kpt #: 258 total cpu time spent up to now is 610.1 secs Computing kpt #: 259 total cpu time spent up to now is 612.7 secs Computing kpt #: 260 total cpu time spent up to now is 615.4 secs Computing kpt #: 261 total cpu time spent up to now is 618.4 secs Computing kpt #: 262 total cpu time spent up to now is 620.9 secs Computing kpt #: 263 total cpu time spent up to now is 623.4 secs Computing kpt #: 264 total cpu time spent up to now is 626.0 secs Computing kpt #: 265 total cpu time spent up to now is 628.3 secs Computing kpt #: 266 total cpu time spent up to now is 630.8 secs Computing kpt #: 267 total cpu time spent up to now is 633.3 secs Computing kpt #: 268 total cpu time spent up to now is 635.6 secs Computing kpt #: 269 total cpu time spent up to now is 637.9 secs Computing kpt #: 270 total cpu time spent up to now is 640.1 secs Computing kpt #: 271 total cpu time spent up to now is 642.4 secs Computing kpt #: 272 total cpu time spent up to now is 644.6 secs Computing kpt #: 273 total cpu time spent up to now is 646.8 secs Computing kpt #: 274 total cpu time spent up to now is 649.0 secs Computing kpt #: 275 total cpu time spent up to now is 651.1 secs Computing kpt #: 276 total cpu time spent up to now is 653.3 secs Computing kpt #: 277 total cpu time spent up to now is 655.5 secs Computing kpt #: 278 total cpu time spent up to now is 657.7 secs Computing kpt #: 279 total cpu time spent up to now is 659.9 secs Computing kpt #: 280 total cpu time spent up to now is 662.1 secs Computing kpt #: 281 total cpu time spent up to now is 664.2 secs Computing kpt #: 282 total cpu time spent up to now is 666.3 secs Computing kpt #: 283 total cpu time spent up to now is 668.5 secs Computing kpt #: 284 total cpu time spent up to now is 670.7 secs Computing kpt #: 285 total cpu time spent up to now is 672.9 secs Computing kpt #: 286 total cpu time spent up to now is 675.1 secs Computing kpt #: 287 total cpu time spent up to now is 677.2 secs ethr = 1.92E-08, avg # of iterations = 33.6 total cpu time spent up to now is 677.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8745 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4953 -18.4953 -18.4014 -18.4014 -16.9513 -16.9513 -14.9909 -14.9909 -14.9907 -14.9907 -8.1447 -8.1447 -7.8922 -7.8922 -7.8210 -7.8210 -4.2285 -4.2285 -3.8232 -3.8232 -3.8114 -3.8114 -2.3834 -2.3834 -0.8463 -0.8463 -0.7002 -0.7002 -0.1422 -0.1422 -0.1201 -0.1201 0.1610 0.1610 0.3582 0.3582 0.3933 0.3933 1.2440 1.2440 1.2740 1.2740 1.8559 1.8559 1.8678 1.8678 8.1537 8.1537 10.0175 10.0175 12.0420 12.0420 12.6951 12.6952 12.7180 12.7206 k = 0.0119-0.0151-0.0094 ( 8761 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4953 -18.4953 -18.4014 -18.4014 -16.9509 -16.9509 -14.9914 -14.9914 -14.9911 -14.9911 -8.1448 -8.1447 -7.8923 -7.8923 -7.8211 -7.8210 -4.2306 -4.2305 -3.8216 -3.8214 -3.8091 -3.8089 -2.3831 -2.3831 -0.8468 -0.8465 -0.6987 -0.6986 -0.1449 -0.1409 -0.1227 -0.1189 0.1599 0.1626 0.3550 0.3620 0.3900 0.3971 1.2418 1.2442 1.2718 1.2742 1.8549 1.8554 1.8667 1.8672 8.1561 8.1561 10.0166 10.0166 12.0416 12.0418 12.6819 12.6822 12.6971 12.6974 k = 0.0238-0.0302-0.0188 ( 8767 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4773 -24.4773 -18.4952 -18.4952 -18.4015 -18.4015 -16.9495 -16.9495 -14.9931 -14.9931 -14.9920 -14.9920 -8.1449 -8.1448 -7.8924 -7.8924 -7.8212 -7.8212 -4.2367 -4.2365 -3.8196 -3.8192 -3.7994 -3.7989 -2.3821 -2.3820 -0.8479 -0.8473 -0.6939 -0.6938 -0.1490 -0.1413 -0.1264 -0.1191 0.1594 0.1647 0.3523 0.3664 0.3874 0.4014 1.2373 1.2422 1.2678 1.2727 1.8521 1.8531 1.8642 1.8652 8.1633 8.1633 10.0139 10.0140 12.0407 12.0411 12.6622 12.6626 12.7006 12.7012 k = 0.0357-0.0453-0.0282 ( 8765 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4772 -24.4772 -18.4950 -18.4950 -18.4016 -18.4016 -16.9473 -16.9473 -14.9960 -14.9960 -14.9935 -14.9935 -8.1451 -8.1450 -7.8927 -7.8926 -7.8215 -7.8214 -4.2460 -4.2457 -3.8190 -3.8185 -3.7811 -3.7805 -2.3803 -2.3803 -0.8497 -0.8487 -0.6860 -0.6858 -0.1549 -0.1444 -0.1300 -0.1206 0.1593 0.1671 0.3504 0.3711 0.3855 0.4063 1.2302 1.2373 1.2627 1.2699 1.8473 1.8487 1.8606 1.8620 8.1753 8.1753 10.0097 10.0098 12.0394 12.0400 12.6419 12.6422 12.7065 12.7073 k = 0.0476-0.0603-0.0376 ( 8772 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4771 -24.4771 -18.4948 -18.4948 -18.4017 -18.4017 -16.9442 -16.9442 -15.0001 -15.0000 -14.9955 -14.9955 -8.1454 -8.1453 -7.8930 -7.8929 -7.8219 -7.8218 -4.2575 -4.2572 -3.8190 -3.8183 -3.7560 -3.7552 -2.3779 -2.3778 -0.8522 -0.8509 -0.6750 -0.6747 -0.1626 -0.1510 -0.1328 -0.1231 0.1597 0.1697 0.3492 0.3758 0.3848 0.4116 1.2197 1.2283 1.2576 1.2663 1.8405 1.8420 1.8564 1.8579 8.1920 8.1920 10.0037 10.0039 12.0378 12.0385 12.6216 12.6220 12.7145 12.7156 k = 0.0595-0.0754-0.0470 ( 8772 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4769 -24.4769 -18.4945 -18.4945 -18.4019 -18.4019 -16.9402 -16.9402 -15.0053 -15.0053 -14.9981 -14.9981 -8.1458 -8.1456 -7.8934 -7.8933 -7.8223 -7.8222 -4.2704 -4.2701 -3.8192 -3.8184 -3.7253 -3.7244 -2.3747 -2.3747 -0.8553 -0.8537 -0.6610 -0.6606 -0.1725 -0.1606 -0.1352 -0.1262 0.1605 0.1725 0.3487 0.3787 0.3872 0.4175 1.2056 1.2147 1.2530 1.2624 1.8316 1.8332 1.8515 1.8532 8.2133 8.2134 9.9963 9.9965 12.0359 12.0369 12.6016 12.6019 12.7245 12.7259 k = 0.0714-0.0905-0.0565 ( 8772 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4767 -24.4767 -18.4942 -18.4942 -18.4021 -18.4021 -16.9353 -16.9353 -15.0117 -15.0116 -15.0012 -15.0012 -8.1463 -8.1461 -7.8940 -7.8937 -7.8229 -7.8228 -4.2840 -4.2836 -3.8193 -3.8183 -3.6902 -3.6892 -2.3708 -2.3708 -0.8591 -0.8573 -0.6440 -0.6436 -0.1845 -0.1727 -0.1376 -0.1297 0.1615 0.1752 0.3490 0.3795 0.3929 0.4239 1.1876 1.1967 1.2485 1.2582 1.8210 1.8226 1.8461 1.8477 8.2393 8.2393 9.9875 9.9878 12.0341 12.0352 12.5818 12.5821 12.7364 12.7379 k = 0.0833-0.1056-0.0659 ( 8771 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4764 -24.4764 -18.4938 -18.4938 -18.4024 -18.4024 -16.9295 -16.9295 -15.0192 -15.0191 -15.0048 -15.0048 -8.1468 -8.1466 -7.8945 -7.8943 -7.8235 -7.8234 -4.2976 -4.2971 -3.8192 -3.8181 -3.6513 -3.6502 -2.3662 -2.3662 -0.8637 -0.8616 -0.6243 -0.6238 -0.1988 -0.1868 -0.1406 -0.1334 0.1625 0.1778 0.3501 0.3801 0.4003 0.4310 1.1657 1.1746 1.2439 1.2537 1.8090 1.8105 1.8398 1.8414 8.2696 8.2696 9.9774 9.9777 12.0324 12.0336 12.5622 12.5626 12.7497 12.7515 k = 0.0952-0.1207-0.0753 ( 8773 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4761 -24.4761 -18.4933 -18.4933 -18.4027 -18.4027 -16.9229 -16.9229 -15.0278 -15.0277 -15.0089 -15.0088 -8.1474 -8.1471 -7.8952 -7.8949 -7.8242 -7.8241 -4.3109 -4.3103 -3.8188 -3.8175 -3.6093 -3.6081 -2.3609 -2.3608 -0.8691 -0.8667 -0.6019 -0.6013 -0.2150 -0.2029 -0.1441 -0.1372 0.1635 0.1800 0.3519 0.3809 0.4088 0.4387 1.1400 1.1487 1.2390 1.2488 1.7959 1.7974 1.8327 1.8343 8.3043 8.3043 9.9663 9.9666 12.0310 12.0323 12.5430 12.5433 12.7643 12.7663 k = 0.1071-0.1358-0.0847 ( 8781 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4758 -24.4758 -18.4927 -18.4927 -18.4030 -18.4030 -16.9154 -16.9154 -15.0375 -15.0375 -15.0134 -15.0134 -8.1481 -8.1478 -7.8959 -7.8956 -7.8250 -7.8249 -4.3234 -4.3228 -3.8178 -3.8163 -3.5645 -3.5633 -2.3548 -2.3548 -0.8753 -0.8727 -0.5771 -0.5764 -0.2331 -0.2209 -0.1482 -0.1412 0.1644 0.1819 0.3544 0.3822 0.4183 0.4473 1.1106 1.1192 1.2335 1.2435 1.7821 1.7836 1.8247 1.8263 8.3432 8.3432 9.9541 9.9545 12.0301 12.0315 12.5240 12.5244 12.7800 12.7821 k = 0.1190-0.1508-0.0941 ( 8788 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4754 -24.4754 -18.4921 -18.4921 -18.4034 -18.4034 -16.9071 -16.9071 -15.0484 -15.0483 -15.0184 -15.0183 -8.1488 -8.1485 -7.8968 -7.8964 -7.8259 -7.8258 -4.3352 -4.3345 -3.8161 -3.8144 -3.5175 -3.5162 -2.3480 -2.3479 -0.8824 -0.8795 -0.5501 -0.5492 -0.2528 -0.2406 -0.1529 -0.1455 0.1650 0.1834 0.3575 0.3839 0.4288 0.4566 1.0776 1.0862 1.2275 1.2378 1.7678 1.7693 1.8159 1.8174 8.3861 8.3861 9.9412 9.9416 12.0298 12.0313 12.5054 12.5057 12.7964 12.7986 k = 0.1310-0.1659-0.1035 ( 8780 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4750 -24.4750 -18.4915 -18.4915 -18.4038 -18.4038 -16.8980 -16.8980 -15.0603 -15.0602 -15.0237 -15.0236 -8.1496 -8.1493 -7.8976 -7.8973 -7.8269 -7.8267 -4.3460 -4.3452 -3.8135 -3.8117 -3.4685 -3.4671 -2.3405 -2.3404 -0.8905 -0.8874 -0.5211 -0.5200 -0.2740 -0.2619 -0.1581 -0.1502 0.1654 0.1843 0.3610 0.3859 0.4401 0.4669 1.0414 1.0500 1.2209 1.2315 1.7534 1.7548 1.8061 1.8076 8.4329 8.4329 9.9276 9.9280 12.0302 12.0318 12.4871 12.4874 12.8132 12.8156 k = 0.1429-0.1810-0.1129 ( 8777 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4746 -24.4746 -18.4908 -18.4908 -18.4043 -18.4043 -16.8880 -16.8880 -15.0733 -15.0732 -15.0294 -15.0293 -8.1504 -8.1501 -7.8986 -7.8982 -7.8279 -7.8277 -4.3558 -4.3550 -3.8098 -3.8078 -3.4178 -3.4164 -2.3322 -2.3321 -0.8995 -0.8962 -0.4905 -0.4890 -0.2963 -0.2846 -0.1637 -0.1554 0.1655 0.1849 0.3648 0.3883 0.4524 0.4780 1.0021 1.0108 1.2138 1.2248 1.7390 1.7404 1.7955 1.7970 8.4834 8.4834 9.9136 9.9140 12.0315 12.0332 12.4692 12.4695 12.8302 12.8327 k = 0.1548-0.1961-0.1223 ( 8777 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4741 -24.4741 -18.4900 -18.4900 -18.4048 -18.4048 -16.8773 -16.8773 -15.0873 -15.0872 -15.0353 -15.0353 -8.1513 -8.1510 -7.8995 -7.8992 -7.8289 -7.8288 -4.3647 -4.3638 -3.8047 -3.8027 -3.3656 -3.3641 -2.3231 -2.3230 -0.9096 -0.9061 -0.4590 -0.4568 -0.3194 -0.3085 -0.1699 -0.1612 0.1655 0.1851 0.3687 0.3909 0.4655 0.4899 0.9603 0.9691 1.2061 1.2174 1.7247 1.7260 1.7841 1.7855 8.5374 8.5375 9.8992 9.8997 12.0337 12.0354 12.4517 12.4520 12.8470 12.8496 k = 0.1667-0.2112-0.1317 ( 8775 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4736 -24.4736 -18.4892 -18.4892 -18.4054 -18.4054 -16.8657 -16.8657 -15.1022 -15.1022 -15.0416 -15.0415 -8.1523 -8.1519 -7.9006 -7.9002 -7.8300 -7.8299 -4.3727 -4.3717 -3.7982 -3.7960 -3.3121 -3.3106 -2.3134 -2.3133 -0.9208 -0.9171 -0.4283 -0.4243 -0.3418 -0.3330 -0.1767 -0.1677 0.1653 0.1851 0.3728 0.3937 0.4793 0.5027 0.9163 0.9254 1.1978 1.2096 1.7107 1.7119 1.7719 1.7733 8.5949 8.5949 9.8846 9.8851 12.0368 12.0386 12.4346 12.4349 12.8634 12.8661 k = 0.1786-0.2263-0.1411 ( 8778 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4731 -24.4731 -18.4883 -18.4883 -18.4060 -18.4060 -16.8534 -16.8534 -15.1182 -15.1181 -15.0480 -15.0480 -8.1533 -8.1529 -7.9017 -7.9013 -7.8311 -7.8310 -4.3799 -4.3789 -3.7899 -3.7876 -3.2577 -3.2561 -2.3029 -2.3028 -0.9331 -0.9293 -0.4069 -0.3960 -0.3555 -0.3537 -0.1840 -0.1749 0.1653 0.1851 0.3767 0.3966 0.4936 0.5161 0.8708 0.8802 1.1890 1.2013 1.6969 1.6980 1.7591 1.7605 8.6556 8.6556 9.8699 9.8704 12.0409 12.0427 12.4181 12.4184 12.8789 12.8817 k = 0.1905-0.2413-0.1505 ( 8784 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4726 -24.4726 -18.4873 -18.4873 -18.4067 -18.4067 -16.8404 -16.8404 -15.1350 -15.1349 -15.0547 -15.0546 -8.1543 -8.1539 -7.9028 -7.9024 -7.8323 -7.8322 -4.3864 -4.3853 -3.7797 -3.7773 -3.2023 -3.2008 -2.2917 -2.2916 -0.9466 -0.9426 -0.4154 -0.3993 -0.3440 -0.3399 -0.1920 -0.1829 0.1655 0.1853 0.3805 0.3996 0.5081 0.5300 0.8244 0.8341 1.1799 1.1926 1.6832 1.6843 1.7457 1.7473 8.7193 8.7193 9.8553 9.8558 12.0458 12.0477 12.4020 12.4023 12.8932 12.8962 k = 0.2024-0.2564-0.1600 ( 8788 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4721 -24.4721 -18.4863 -18.4863 -18.4075 -18.4075 -16.8267 -16.8267 -15.1527 -15.1526 -15.0615 -15.0614 -8.1553 -8.1549 -7.9039 -7.9035 -7.8335 -7.8334 -4.3923 -4.3911 -3.7673 -3.7648 -3.1463 -3.1448 -2.2798 -2.2797 -0.9613 -0.9572 -0.4405 -0.4254 -0.3129 -0.3094 -0.2007 -0.1917 0.1664 0.1860 0.3839 0.4025 0.5225 0.5441 0.7781 0.7881 1.1703 1.1836 1.6696 1.6708 1.7319 1.7338 8.7859 8.7860 9.8408 9.8414 12.0516 12.0535 12.3866 12.3869 12.9059 12.9090 k = 0.2143-0.2715-0.1694 ( 8792 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4715 -24.4715 -18.4853 -18.4853 -18.4082 -18.4082 -16.8124 -16.8123 -15.1712 -15.1712 -15.0684 -15.0683 -8.1564 -8.1560 -7.9051 -7.9047 -7.8347 -7.8346 -4.3977 -4.3965 -3.7526 -3.7500 -3.0899 -3.0883 -2.2673 -2.2672 -0.9772 -0.9730 -0.4698 -0.4556 -0.2801 -0.2768 -0.2102 -0.2014 0.1683 0.1877 0.3870 0.4052 0.5363 0.5579 0.7331 0.7433 1.1605 1.1743 1.6556 1.6573 1.7179 1.7204 8.8552 8.8553 9.8266 9.8272 12.0580 12.0599 12.3718 12.3721 12.9166 12.9198 k = 0.2262-0.2866-0.1788 ( 8797 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4710 -24.4710 -18.4842 -18.4842 -18.4090 -18.4090 -16.7974 -16.7973 -15.1905 -15.1904 -15.0753 -15.0752 -8.1575 -8.1571 -7.9063 -7.9059 -7.8359 -7.8359 -4.4028 -4.4015 -3.7354 -3.7327 -3.0331 -3.0316 -2.2542 -2.2540 -0.9943 -0.9900 -0.5016 -0.4879 -0.2487 -0.2450 -0.2202 -0.2119 0.1718 0.1909 0.3894 0.4075 0.5481 0.5704 0.6912 0.7012 1.1505 1.1648 1.6413 1.6436 1.7041 1.7072 8.9271 8.9272 9.8127 9.8133 12.0649 12.0668 12.3577 12.3579 12.9249 12.9282 k = 0.2381-0.3017-0.1882 ( 8799 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4704 -24.4704 -18.4831 -18.4831 -18.4099 -18.4099 -16.7818 -16.7818 -15.2104 -15.2104 -15.0823 -15.0822 -8.1586 -8.1582 -7.9075 -7.9071 -7.8371 -7.8371 -4.4076 -4.4063 -3.7156 -3.7129 -2.9763 -2.9747 -2.2405 -2.2403 -1.0127 -1.0083 -0.5353 -0.5220 -0.2326 -0.2244 -0.2174 -0.2150 0.1776 0.1963 0.3910 0.4092 0.5550 0.5788 0.6562 0.6656 1.1405 1.1552 1.6263 1.6294 1.6908 1.6947 9.0013 9.0014 9.7992 9.7998 12.0720 12.0740 12.3443 12.3445 12.9307 12.9340 k = 0.2500-0.3168-0.1976 ( 8801 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4698 -24.4698 -18.4819 -18.4819 -18.4108 -18.4108 -16.7656 -16.7656 -15.2310 -15.2309 -15.0892 -15.0892 -8.1597 -8.1593 -7.9087 -7.9083 -7.8384 -7.8383 -4.4122 -4.4109 -3.6931 -3.6904 -2.9196 -2.9180 -2.2263 -2.2260 -1.0324 -1.0279 -0.5710 -0.5580 -0.2437 -0.2360 -0.1929 -0.1891 0.1862 0.2045 0.3914 0.4098 0.5505 0.5755 0.6357 0.6449 1.1305 1.1458 1.6104 1.6144 1.6784 1.6829 9.0778 9.0779 9.7862 9.7868 12.0790 12.0809 12.3317 12.3319 12.9339 12.9371 k = 0.2619-0.3318-0.2070 ( 8797 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4692 -24.4692 -18.4807 -18.4807 -18.4118 -18.4118 -16.7490 -16.7490 -15.2521 -15.2520 -15.0962 -15.0961 -8.1608 -8.1604 -7.9099 -7.9095 -7.8396 -7.8396 -4.4167 -4.4154 -3.6679 -3.6651 -2.8632 -2.8617 -2.2115 -2.2113 -1.0533 -1.0486 -0.6086 -0.5958 -0.2561 -0.2489 -0.1720 -0.1673 0.1982 0.2161 0.3899 0.4083 0.5329 0.5567 0.6328 0.6440 1.1207 1.1364 1.5936 1.5983 1.6670 1.6721 9.1564 9.1565 9.7737 9.7743 12.0852 12.0872 12.3200 12.3203 12.9346 12.9377 k = 0.2738-0.3469-0.2164 ( 8796 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4687 -24.4687 -18.4795 -18.4795 -18.4128 -18.4128 -16.7320 -16.7320 -15.2736 -15.2736 -15.1030 -15.1029 -8.1619 -8.1615 -7.9112 -7.9107 -7.8408 -7.8408 -4.4211 -4.4199 -3.6399 -3.6371 -2.8074 -2.8059 -2.1964 -2.1961 -1.0754 -1.0706 -0.6484 -0.6357 -0.2691 -0.2624 -0.1562 -0.1508 0.2138 0.2313 0.3858 0.4034 0.5121 0.5339 0.6397 0.6527 1.1113 1.1275 1.5759 1.5813 1.6568 1.6623 9.2369 9.2370 9.7618 9.7623 12.0902 12.0922 12.3095 12.3097 12.9330 12.9360 k = 0.2857-0.3620-0.2258 ( 8803 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4681 -24.4681 -18.4783 -18.4783 -18.4138 -18.4138 -16.7146 -16.7146 -15.2955 -15.2955 -15.1096 -15.1096 -8.1630 -8.1627 -7.9123 -7.9119 -7.8420 -7.8419 -4.4255 -4.4243 -3.6091 -3.6064 -2.7523 -2.7508 -2.1809 -2.1806 -1.0987 -1.0937 -0.6902 -0.6777 -0.2825 -0.2762 -0.1458 -0.1397 0.2323 0.2497 0.3787 0.3942 0.4963 0.5149 0.6499 0.6641 1.1024 1.1189 1.5574 1.5633 1.6477 1.6535 9.3193 9.3194 9.7504 9.7510 12.0931 12.0950 12.3003 12.3005 12.9293 12.9321 k = 0.2976-0.3771-0.2352 ( 8811 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4676 -24.4676 -18.4770 -18.4770 -18.4149 -18.4149 -16.6970 -16.6969 -15.3177 -15.3176 -15.1162 -15.1161 -8.1641 -8.1637 -7.9135 -7.9131 -7.8431 -7.8431 -4.4299 -4.4287 -3.5757 -3.5730 -2.6984 -2.6969 -2.1651 -2.1647 -1.1233 -1.1181 -0.7339 -0.7215 -0.2961 -0.2901 -0.1408 -0.1340 0.2521 0.2696 0.3695 0.3826 0.4880 0.5023 0.6609 0.6759 1.0941 1.1110 1.5381 1.5446 1.6397 1.6455 9.4032 9.4033 9.7397 9.7403 12.0927 12.0946 12.2927 12.2930 12.9235 12.9260 k = 0.3095-0.3922-0.2446 ( 8821 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4670 -24.4670 -18.4757 -18.4757 -18.4160 -18.4160 -16.6791 -16.6791 -15.3399 -15.3399 -15.1225 -15.1224 -8.1651 -8.1648 -7.9147 -7.9143 -7.8443 -7.8442 -4.4343 -4.4331 -3.5397 -3.5371 -2.6457 -2.6443 -2.1491 -2.1487 -1.1492 -1.1437 -0.7795 -0.7671 -0.3095 -0.3038 -0.1404 -0.1332 0.2698 0.2870 0.3620 0.3737 0.4860 0.4957 0.6716 0.6874 1.0866 1.1038 1.5184 1.5252 1.6326 1.6384 9.4887 9.4888 9.7296 9.7302 12.0879 12.0898 12.2871 12.2874 12.9152 12.9171 k = 0.3214-0.4073-0.2540 ( 8815 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4665 -24.4665 -18.4744 -18.4744 -18.4171 -18.4171 -16.6611 -16.6611 -15.3622 -15.3622 -15.1286 -15.1285 -8.1662 -8.1658 -7.9158 -7.9154 -7.8454 -7.8453 -4.4386 -4.4375 -3.5013 -3.4987 -2.5948 -2.5934 -2.1329 -2.1324 -1.1763 -1.1705 -0.8263 -0.8141 -0.3227 -0.3171 -0.1441 -0.1365 0.2797 0.2935 0.3651 0.3745 0.4883 0.4939 0.6817 0.6982 1.0800 1.0975 1.4982 1.5055 1.6263 1.6321 9.5754 9.5756 9.7203 9.7209 12.0775 12.0792 12.2836 12.2839 12.9023 12.9032 k = 0.3333-0.4223-0.2635 ( 8821 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4660 -24.4660 -18.4731 -18.4731 -18.4182 -18.4182 -16.6431 -16.6431 -15.3844 -15.3843 -15.1345 -15.1344 -8.1671 -8.1668 -7.9169 -7.9165 -7.8464 -7.8463 -4.4428 -4.4418 -3.4606 -3.4581 -2.5459 -2.5446 -2.1166 -2.1161 -1.2046 -1.1985 -0.8740 -0.8618 -0.3352 -0.3298 -0.1511 -0.1432 0.2788 0.2870 0.3816 0.3875 0.4939 0.4961 0.6908 0.7080 1.0746 1.0923 1.4779 1.4855 1.6208 1.6263 9.6626 9.6629 9.7125 9.7130 12.0602 12.0617 12.2823 12.2826 12.8748 12.8762 k = 0.3452-0.4374-0.2729 ( 8819 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4655 -24.4655 -18.4718 -18.4718 -18.4193 -18.4193 -16.6253 -16.6253 -15.4063 -15.4062 -15.1400 -15.1400 -8.1681 -8.1678 -7.9179 -7.9176 -7.8474 -7.8473 -4.4470 -4.4460 -3.4179 -3.4155 -2.4994 -2.4982 -2.1003 -2.0997 -1.2343 -1.2278 -0.9219 -0.9097 -0.3470 -0.3417 -0.1606 -0.1526 0.2709 0.2752 0.4040 0.4075 0.5009 0.5033 0.6988 0.7167 1.0706 1.0884 1.4575 1.4655 1.6158 1.6212 9.7014 9.7018 9.7551 9.7552 12.0349 12.0363 12.2827 12.2829 12.8252 12.8272 k = 0.3571-0.4525-0.2823 ( 8814 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4651 -24.4651 -18.4705 -18.4705 -18.4205 -18.4205 -16.6077 -16.6076 -15.4278 -15.4277 -15.1453 -15.1452 -8.1690 -8.1687 -7.9189 -7.9186 -7.8483 -7.8482 -4.4510 -4.4501 -3.3735 -3.3711 -2.4559 -2.4547 -2.0842 -2.0835 -1.2651 -1.2583 -0.9690 -0.9570 -0.3578 -0.3527 -0.1720 -0.1641 0.2602 0.2629 0.4263 0.4288 0.5094 0.5158 0.7056 0.7242 1.0680 1.0858 1.4371 1.4455 1.6115 1.6165 9.6947 9.6952 9.8445 9.8447 12.0009 12.0021 12.2843 12.2846 12.7704 12.7722 k = 0.3690-0.4676-0.2917 ( 8819 PWs) bands (ev): -94.3089 -94.3089 -94.3085 -94.3085 -24.4646 -24.4646 -18.4692 -18.4692 -18.4216 -18.4216 -16.5904 -16.5904 -15.4487 -15.4486 -15.1502 -15.1502 -8.1698 -8.1696 -7.9198 -7.9195 -7.8492 -7.8491 -4.4549 -4.4541 -3.3277 -3.3254 -2.4158 -2.4146 -2.0682 -2.0674 -1.2970 -1.2899 -1.0148 -1.0030 -0.3676 -0.3625 -0.1849 -0.1771 0.2490 0.2518 0.4452 0.4484 0.5215 0.5321 0.7112 0.7306 1.0670 1.0847 1.4168 1.4256 1.6076 1.6123 9.6880 9.6884 9.9356 9.9358 11.9578 11.9588 12.2867 12.2869 12.7202 12.7220 k = 0.3810-0.4827-0.3011 ( 8813 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4642 -24.4642 -18.4680 -18.4680 -18.4227 -18.4227 -16.5737 -16.5737 -15.4688 -15.4687 -15.1548 -15.1548 -8.1706 -8.1704 -7.9206 -7.9204 -7.8500 -7.8499 -4.4586 -4.4578 -3.2809 -3.2788 -2.3796 -2.3785 -2.0525 -2.0517 -1.3295 -1.3221 -1.0583 -1.0468 -0.3762 -0.3712 -0.1986 -0.1911 0.2385 0.2419 0.4601 0.4647 0.5372 0.5515 0.7156 0.7357 1.0679 1.0854 1.3967 1.4059 1.6041 1.6085 9.6819 9.6822 10.0275 10.0277 11.9055 11.9063 12.2892 12.2895 12.6777 12.6794 k = 0.3929-0.4978-0.3105 ( 8807 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4639 -24.4639 -18.4668 -18.4668 -18.4238 -18.4238 -16.5578 -16.5578 -15.4880 -15.4879 -15.1590 -15.1590 -8.1713 -8.1711 -7.9214 -7.9212 -7.8508 -7.8507 -4.4621 -4.4614 -3.2336 -3.2316 -2.3480 -2.3469 -2.0374 -2.0364 -1.3619 -1.3545 -1.0990 -1.0879 -0.3836 -0.3788 -0.2129 -0.2057 0.2294 0.2331 0.4720 0.4773 0.5553 0.5724 0.7189 0.7396 1.0707 1.0879 1.3768 1.3864 1.6011 1.6052 9.6763 9.6766 10.1199 10.1201 11.8446 11.8453 12.2917 12.2921 12.6433 12.6451 k = 0.4048-0.5128-0.3199 ( 8805 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4635 -24.4635 -18.4656 -18.4656 -18.4248 -18.4248 -16.5427 -16.5427 -15.5059 -15.5059 -15.1628 -15.1628 -8.1720 -8.1718 -7.9221 -7.9219 -7.8514 -7.8513 -4.4652 -4.4646 -3.1864 -3.1846 -2.3213 -2.3203 -2.0230 -2.0220 -1.3935 -1.3860 -1.1365 -1.1260 -0.3897 -0.3851 -0.2272 -0.2204 0.2215 0.2254 0.4817 0.4872 0.5740 0.5931 0.7211 0.7423 1.0756 1.0924 1.3573 1.3672 1.5985 1.6022 9.6713 9.6716 10.2127 10.2129 11.7762 11.7768 12.2939 12.2943 12.6166 12.6184 k = 0.4167-0.5279-0.3293 ( 8811 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4632 -24.4632 -18.4646 -18.4646 -18.4258 -18.4258 -16.5287 -16.5287 -15.5225 -15.5225 -15.1662 -15.1662 -8.1726 -8.1724 -7.9228 -7.9226 -7.8520 -7.8519 -4.4681 -4.4676 -3.1402 -3.1385 -2.3000 -2.2990 -2.0097 -2.0087 -1.4229 -1.4156 -1.1705 -1.1607 -0.3947 -0.3902 -0.2413 -0.2349 0.2150 0.2188 0.4900 0.4953 0.5920 0.6123 0.7225 0.7440 1.0824 1.0987 1.3381 1.3484 1.5963 1.5995 9.6670 9.6672 10.3054 10.3056 11.7019 11.7024 12.2958 12.2961 12.5967 12.5985 k = 0.4286-0.5430-0.3387 ( 8807 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4630 -24.4630 -18.4636 -18.4636 -18.4267 -18.4267 -16.5161 -16.5161 -15.5375 -15.5375 -15.1692 -15.1692 -8.1731 -8.1729 -7.9233 -7.9232 -7.8525 -7.8525 -4.4707 -4.4702 -3.0957 -3.0942 -2.2842 -2.2833 -1.9979 -1.9968 -1.4491 -1.4420 -1.2008 -1.1919 -0.3984 -0.3943 -0.2546 -0.2488 0.2096 0.2131 0.4973 0.5022 0.6084 0.6293 0.7233 0.7447 1.0912 1.1068 1.3194 1.3299 1.5945 1.5973 9.6632 9.6635 10.3976 10.3978 11.6232 11.6236 12.2972 12.2975 12.5824 12.5840 k = 0.4405-0.5581-0.3481 ( 8813 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4627 -24.4627 -18.4627 -18.4627 -18.4275 -18.4275 -16.5049 -16.5049 -15.5507 -15.5506 -15.1717 -15.1717 -8.1735 -8.1734 -7.9238 -7.9237 -7.8530 -7.8529 -4.4729 -4.4725 -3.0541 -3.0528 -2.2737 -2.2729 -1.9878 -1.9867 -1.4709 -1.4644 -1.2274 -1.2194 -0.4010 -0.3972 -0.2669 -0.2617 0.2053 0.2084 0.5037 0.5080 0.6227 0.6433 0.7238 0.7444 1.1016 1.1164 1.3014 1.3119 1.5929 1.5953 9.6601 9.6603 10.4885 10.4888 11.5419 11.5423 12.2984 12.2986 12.5725 12.5740 k = 0.4524-0.5732-0.3575 ( 8814 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4625 -24.4625 -18.4619 -18.4619 -18.4282 -18.4282 -16.4954 -16.4954 -15.5618 -15.5618 -15.1738 -15.1738 -8.1739 -8.1738 -7.9242 -7.9241 -7.8534 -7.8533 -4.4747 -4.4744 -3.0167 -3.0156 -2.2680 -2.2672 -1.9796 -1.9786 -1.4878 -1.4820 -1.2499 -1.2431 -0.4026 -0.3993 -0.2776 -0.2733 0.2019 0.2046 0.5092 0.5128 0.6349 0.6541 0.7246 0.7435 1.1133 1.1271 1.2842 1.2945 1.5917 1.5937 9.6575 9.6577 10.5771 10.5773 11.4602 11.4605 12.2992 12.2994 12.5659 12.5672 k = 0.4643-0.5883-0.3669 ( 8816 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4624 -24.4624 -18.4613 -18.4613 -18.4288 -18.4288 -16.4878 -16.4878 -15.5706 -15.5706 -15.1755 -15.1755 -8.1742 -8.1741 -7.9245 -7.9244 -7.8536 -7.8536 -4.4761 -4.4759 -2.9850 -2.9842 -2.2658 -2.2653 -1.9734 -1.9726 -1.4997 -1.4949 -1.2680 -1.2627 -0.4034 -0.4007 -0.2865 -0.2830 0.1995 0.2016 0.5137 0.5166 0.6449 0.6612 0.7259 0.7418 1.1256 1.1379 1.2685 1.2782 1.5909 1.5923 9.6555 9.6556 10.6610 10.6612 11.3810 11.3812 12.2998 12.2999 12.5618 12.5628 k = 0.4762-0.6033-0.3764 ( 8818 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4608 -18.4608 -18.4292 -18.4292 -16.4823 -16.4823 -15.5771 -15.5771 -15.1766 -15.1766 -8.1743 -8.1743 -7.9247 -7.9247 -7.8538 -7.8538 -4.4771 -4.4770 -2.9607 -2.9602 -2.2659 -2.2655 -1.9691 -1.9686 -1.5069 -1.5035 -1.2813 -1.2776 -0.4035 -0.4016 -0.2930 -0.2905 0.1980 0.1994 0.5172 0.5192 0.6530 0.6649 0.7280 0.7395 1.1377 1.1475 1.2556 1.2636 1.5903 1.5913 9.6541 9.6542 10.7357 10.7359 11.3093 11.3095 12.3002 12.3003 12.5594 12.5601 k = 0.4881-0.6184-0.3858 ( 8824 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4606 -18.4606 -18.4295 -18.4295 -16.4789 -16.4789 -15.5811 -15.5810 -15.1773 -15.1773 -8.1745 -8.1744 -7.9249 -7.9248 -7.8540 -7.8540 -4.4777 -4.4776 -2.9454 -2.9451 -2.2667 -2.2665 -1.9665 -1.9663 -1.5104 -1.5086 -1.2891 -1.2872 -0.4032 -0.4023 -0.2968 -0.2955 0.1972 0.1979 0.5196 0.5206 0.6591 0.6654 0.7308 0.7368 1.1480 1.1537 1.2473 1.2521 1.5901 1.5906 9.6533 9.6533 10.7918 10.7919 11.2549 11.2550 12.3004 12.3005 12.5583 12.5586 k = 0.5000-0.6335-0.3952 ( 8822 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4605 -18.4605 -18.4296 -18.4296 -16.4778 -16.4778 -15.5824 -15.5824 -15.1776 -15.1776 -8.1745 -8.1745 -7.9249 -7.9249 -7.8540 -7.8540 -4.4779 -4.4779 -2.9400 -2.9400 -2.2671 -2.2671 -1.9656 -1.9656 -1.5109 -1.5109 -1.2911 -1.2911 -0.4028 -0.4028 -0.2976 -0.2976 0.1972 0.1972 0.5207 0.5207 0.6633 0.6633 0.7338 0.7338 1.1540 1.1540 1.2460 1.2460 1.5902 1.5902 9.6530 9.6530 10.8138 10.8138 11.2335 11.2335 12.3005 12.3005 12.5581 12.5581 k = 0.5000-0.6335-0.3952 ( 8822 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4605 -18.4605 -18.4296 -18.4296 -16.4778 -16.4778 -15.5824 -15.5824 -15.1776 -15.1776 -8.1745 -8.1745 -7.9249 -7.9249 -7.8540 -7.8540 -4.4779 -4.4779 -2.9400 -2.9400 -2.2671 -2.2671 -1.9656 -1.9656 -1.5109 -1.5109 -1.2911 -1.2911 -0.4028 -0.4028 -0.2976 -0.2976 0.1972 0.1972 0.5207 0.5207 0.6633 0.6633 0.7338 0.7338 1.1540 1.1540 1.2460 1.2460 1.5902 1.5902 9.6530 9.6530 10.8138 10.8138 11.2335 11.2335 12.3005 12.3005 12.5581 12.5581 k = 0.5000-0.6223-0.4132 ( 8818 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4604 -18.4604 -18.4296 -18.4296 -16.4775 -16.4775 -15.5821 -15.5821 -15.1783 -15.1783 -8.1745 -8.1745 -7.9249 -7.9249 -7.8540 -7.8540 -4.4759 -4.4759 -2.9411 -2.9410 -2.2696 -2.2696 -1.9657 -1.9653 -1.5094 -1.5084 -1.2910 -1.2908 -0.4046 -0.4037 -0.2982 -0.2979 0.1975 0.1977 0.5203 0.5206 0.6637 0.6643 0.7336 0.7336 1.1548 1.1550 1.2466 1.2467 1.5897 1.5897 9.6535 9.6535 10.8136 10.8136 11.2343 11.2343 12.3011 12.3012 12.5587 12.5588 k = 0.5000-0.6111-0.4311 ( 8822 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4603 -18.4603 -18.4297 -18.4297 -16.4767 -16.4767 -15.5813 -15.5813 -15.1804 -15.1804 -8.1745 -8.1745 -7.9250 -7.9249 -7.8541 -7.8541 -4.4701 -4.4701 -2.9444 -2.9443 -2.2772 -2.2771 -1.9655 -1.9648 -1.5042 -1.5022 -1.2904 -1.2899 -0.4091 -0.4073 -0.2996 -0.2991 0.1986 0.1992 0.5192 0.5200 0.6654 0.6665 0.7329 0.7330 1.1574 1.1577 1.2484 1.2487 1.5881 1.5883 9.6548 9.6549 10.8127 10.8127 11.2365 11.2366 12.3031 12.3033 12.5608 12.5608 k = 0.5000-0.5999-0.4491 ( 8824 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4621 -24.4621 -18.4601 -18.4601 -18.4299 -18.4299 -16.4755 -16.4755 -15.5800 -15.5800 -15.1839 -15.1839 -8.1745 -8.1744 -7.9250 -7.9249 -7.8543 -7.8543 -4.4603 -4.4603 -2.9498 -2.9496 -2.2897 -2.2894 -1.9648 -1.9638 -1.4955 -1.4926 -1.2893 -1.2885 -0.4162 -0.4134 -0.3019 -0.3011 0.2005 0.2013 0.5176 0.5188 0.6683 0.6699 0.7316 0.7319 1.1617 1.1621 1.2515 1.2519 1.5856 1.5858 9.6571 9.6571 10.8113 10.8113 11.2403 11.2404 12.3064 12.3066 12.5641 12.5643 k = 0.5000-0.5886-0.4671 ( 8822 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4621 -24.4621 -18.4599 -18.4599 -18.4302 -18.4302 -16.4737 -16.4737 -15.5782 -15.5782 -15.1888 -15.1888 -8.1746 -8.1744 -7.9251 -7.9249 -7.8546 -7.8546 -4.4468 -4.4467 -2.9572 -2.9570 -2.3069 -2.3065 -1.9632 -1.9621 -1.4839 -1.4801 -1.2877 -1.2867 -0.4256 -0.4219 -0.3050 -0.3040 0.2031 0.2042 0.5156 0.5170 0.6724 0.6746 0.7299 0.7303 1.1676 1.1681 1.2559 1.2564 1.5820 1.5824 9.6602 9.6603 10.8094 10.8095 11.2456 11.2457 12.3111 12.3113 12.5689 12.5691 k = 0.5000-0.5774-0.4851 ( 8816 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4620 -24.4620 -18.4595 -18.4595 -18.4305 -18.4305 -16.4714 -16.4714 -15.5758 -15.5758 -15.1950 -15.1950 -8.1746 -8.1744 -7.9251 -7.9250 -7.8549 -7.8549 -4.4294 -4.4294 -2.9666 -2.9663 -2.3284 -2.3279 -1.9607 -1.9595 -1.4699 -1.4654 -1.2856 -1.2844 -0.4370 -0.4324 -0.3091 -0.3079 0.2064 0.2076 0.5131 0.5148 0.6776 0.6803 0.7278 0.7284 1.1750 1.1757 1.2614 1.2620 1.5775 1.5780 9.6642 9.6642 10.8070 10.8071 11.2523 11.2524 12.3170 12.3173 12.5750 12.5752 k = 0.5000-0.5662-0.5031 ( 8816 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4620 -24.4620 -18.4592 -18.4592 -18.4309 -18.4309 -16.4687 -16.4687 -15.5729 -15.5729 -15.2024 -15.2024 -8.1746 -8.1744 -7.9252 -7.9250 -7.8552 -7.8552 -4.4084 -4.4084 -2.9779 -2.9776 -2.3539 -2.3533 -1.9568 -1.9556 -1.4542 -1.4490 -1.2831 -1.2816 -0.4501 -0.4447 -0.3141 -0.3127 0.2101 0.2114 0.5104 0.5123 0.6835 0.6869 0.7252 0.7263 1.1838 1.1846 1.2679 1.2686 1.5721 1.5727 9.6689 9.6690 10.8042 10.8043 11.2604 11.2606 12.3242 12.3246 12.5824 12.5827 k = 0.5000-0.5550-0.5210 ( 8814 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4619 -24.4619 -18.4587 -18.4587 -18.4313 -18.4313 -16.4655 -16.4655 -15.5696 -15.5696 -15.2111 -15.2111 -8.1746 -8.1744 -7.9253 -7.9251 -7.8557 -7.8556 -4.3839 -4.3838 -2.9909 -2.9905 -2.3829 -2.3822 -1.9517 -1.9505 -1.4374 -1.4315 -1.2802 -1.2784 -0.4645 -0.4584 -0.3201 -0.3184 0.2142 0.2156 0.5073 0.5094 0.6899 0.6942 0.7224 0.7242 1.1937 1.1948 1.2755 1.2764 1.5658 1.5666 9.6743 9.6744 10.8010 10.8010 11.2699 11.2701 12.3327 12.3331 12.5911 12.5914 k = 0.5000-0.5438-0.5390 ( 8816 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4618 -24.4618 -18.4582 -18.4582 -18.4318 -18.4318 -16.4619 -16.4619 -15.5657 -15.5657 -15.2210 -15.2210 -8.1747 -8.1744 -7.9254 -7.9251 -7.8561 -7.8561 -4.3559 -4.3558 -3.0055 -3.0050 -2.4150 -2.4142 -1.9453 -1.9441 -1.4200 -1.4135 -1.2769 -1.2749 -0.4800 -0.4731 -0.3272 -0.3253 0.2185 0.2200 0.5041 0.5063 0.6958 0.7012 0.7202 0.7229 1.2047 1.2060 1.2841 1.2850 1.5587 1.5596 9.6804 9.6805 10.7974 10.7975 11.2806 11.2808 12.3423 12.3429 12.6010 12.6014 k = 0.5000-0.5326-0.5570 ( 8812 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4617 -24.4617 -18.4576 -18.4576 -18.4324 -18.4324 -16.4580 -16.4580 -15.5613 -15.5613 -15.2319 -15.2319 -8.1747 -8.1744 -7.9255 -7.9252 -7.8566 -7.8566 -4.3247 -4.3246 -3.0214 -3.0209 -2.4497 -2.4488 -1.9375 -1.9364 -1.4024 -1.3954 -1.2732 -1.2709 -0.4960 -0.4885 -0.3353 -0.3331 0.2231 0.2246 0.5008 0.5030 0.6991 0.7047 0.7214 0.7243 1.2166 1.2181 1.2935 1.2945 1.5508 1.5519 9.6871 9.6872 10.7936 10.7936 11.2925 11.2928 12.3532 12.3538 12.6121 12.6126 k = 0.5000-0.5214-0.5750 ( 8810 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4616 -24.4616 -18.4569 -18.4569 -18.4330 -18.4330 -16.4537 -16.4537 -15.5564 -15.5564 -15.2439 -15.2438 -8.1747 -8.1744 -7.9256 -7.9253 -7.8572 -7.8571 -4.2904 -4.2903 -3.0385 -3.0379 -2.4865 -2.4856 -1.9286 -1.9276 -1.3852 -1.3777 -1.2693 -1.2667 -0.5122 -0.5041 -0.3445 -0.3421 0.2278 0.2293 0.4975 0.4997 0.6984 0.7025 0.7284 0.7297 1.2291 1.2308 1.3037 1.3048 1.5421 1.5435 9.6943 9.6944 10.7895 10.7895 11.3056 11.3059 12.3652 12.3659 12.6243 12.6248 k = 0.5000-0.5101-0.5930 ( 8808 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4614 -24.4614 -18.4562 -18.4562 -18.4337 -18.4337 -16.4492 -16.4492 -15.5510 -15.5510 -15.2567 -15.2567 -8.1748 -8.1744 -7.9257 -7.9253 -7.8577 -7.8577 -4.2534 -4.2533 -3.0564 -3.0558 -2.5252 -2.5242 -1.9186 -1.9177 -1.3687 -1.3607 -1.2651 -1.2622 -0.5282 -0.5195 -0.3548 -0.3522 0.2326 0.2341 0.4942 0.4964 0.6947 0.6975 0.7380 0.7380 1.2420 1.2440 1.3146 1.3157 1.5327 1.5344 9.7019 9.7021 10.7852 10.7852 11.3197 11.3200 12.3783 12.3790 12.6374 12.6381 k = 0.5000-0.4989-0.6109 ( 8806 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4613 -24.4613 -18.4555 -18.4555 -18.4344 -18.4344 -16.4444 -16.4444 -15.5452 -15.5452 -15.2703 -15.2703 -8.1748 -8.1744 -7.9259 -7.9254 -7.8583 -7.8582 -4.2139 -4.2138 -3.0748 -3.0742 -2.5653 -2.5643 -1.9077 -1.9069 -1.3532 -1.3448 -1.2607 -1.2575 -0.5436 -0.5344 -0.3662 -0.3634 0.2376 0.2390 0.4911 0.4933 0.6892 0.6912 0.7478 0.7485 1.2552 1.2575 1.3260 1.3272 1.5227 1.5247 9.7098 9.7100 10.7807 10.7808 11.3347 11.3350 12.3924 12.3932 12.6514 12.6522 k = 0.5000-0.4877-0.6289 ( 8812 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4612 -24.4612 -18.4547 -18.4547 -18.4351 -18.4351 -16.4395 -16.4395 -15.5389 -15.5388 -15.2845 -15.2845 -8.1749 -8.1744 -7.9260 -7.9255 -7.8588 -7.8588 -4.1723 -4.1722 -3.0934 -3.0927 -2.6067 -2.6057 -1.8960 -1.8952 -1.3389 -1.3301 -1.2561 -1.2527 -0.5581 -0.5484 -0.3788 -0.3757 0.2426 0.2440 0.4881 0.4902 0.6825 0.6840 0.7583 0.7594 1.2685 1.2711 1.3380 1.3392 1.5122 1.5145 9.7180 9.7182 10.7761 10.7762 11.3506 11.3509 12.4074 12.4083 12.6658 12.6670 k = 0.5000-0.4765-0.6469 ( 8822 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4611 -24.4611 -18.4539 -18.4539 -18.4359 -18.4359 -16.4345 -16.4345 -15.5321 -15.5321 -15.2993 -15.2993 -8.1749 -8.1744 -7.9261 -7.9256 -7.8594 -7.8594 -4.1291 -4.1290 -3.1117 -3.1109 -2.6490 -2.6480 -1.8836 -1.8829 -1.3261 -1.3170 -1.2515 -1.2478 -0.5713 -0.5612 -0.3924 -0.3891 0.2478 0.2492 0.4853 0.4873 0.6750 0.6760 0.7690 0.7703 1.2816 1.2846 1.3503 1.3516 1.5011 1.5038 9.7262 9.7265 10.7715 10.7715 11.3673 11.3676 12.4232 12.4242 12.6723 12.6782 k = 0.5000-0.4653-0.6649 ( 8826 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4610 -24.4610 -18.4530 -18.4530 -18.4368 -18.4368 -16.4294 -16.4294 -15.5248 -15.5248 -15.3145 -15.3145 -8.1749 -8.1744 -7.9262 -7.9256 -7.8600 -7.8599 -4.0850 -4.0848 -3.1290 -3.1282 -2.6920 -2.6909 -1.8707 -1.8702 -1.3150 -1.3056 -1.2469 -1.2429 -0.5829 -0.5725 -0.4072 -0.4036 0.2532 0.2545 0.4827 0.4846 0.6667 0.6674 0.7796 0.7812 1.2945 1.2978 1.3630 1.3643 1.4896 1.4927 9.7346 9.7348 10.7667 10.7667 11.3845 11.3849 12.4397 12.4408 12.6602 12.6654 k = 0.5000-0.4541-0.6829 ( 8818 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4608 -24.4608 -18.4522 -18.4522 -18.4376 -18.4376 -16.4245 -16.4245 -15.5172 -15.5172 -15.3300 -15.3300 -8.1750 -8.1744 -7.9263 -7.9257 -7.8605 -7.8604 -4.0406 -4.0404 -3.1447 -3.1438 -2.7354 -2.7344 -1.8576 -1.8571 -1.3055 -1.2959 -1.2425 -1.2382 -0.5926 -0.5820 -0.4229 -0.4190 0.2588 0.2600 0.4804 0.4822 0.6577 0.6581 0.7901 0.7917 1.3070 1.3107 1.3758 1.3771 1.4778 1.4814 9.7429 9.7431 10.7618 10.7619 11.4023 11.4027 12.4567 12.4579 12.6470 12.6521 k = 0.5000-0.4428-0.7008 ( 8822 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4607 -24.4607 -18.4513 -18.4513 -18.4385 -18.4385 -16.4197 -16.4197 -15.5091 -15.5091 -15.3456 -15.3455 -8.1750 -8.1744 -7.9264 -7.9257 -7.8610 -7.8609 -3.9968 -3.9967 -3.1578 -3.1569 -2.7792 -2.7783 -1.8443 -1.8439 -1.2978 -1.2880 -1.2383 -1.2337 -0.6003 -0.5895 -0.4396 -0.4354 0.2647 0.2658 0.4783 0.4800 0.6481 0.6482 0.8000 0.8016 1.3190 1.3230 1.3888 1.3901 1.4656 1.4697 9.7510 9.7513 10.7569 10.7569 11.4205 11.4208 12.4740 12.4752 12.6335 12.6385 k = 0.5000-0.4316-0.7188 ( 8820 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4606 -24.4606 -18.4503 -18.4503 -18.4394 -18.4394 -16.4151 -16.4151 -15.5006 -15.5006 -15.3611 -15.3610 -8.1750 -8.1743 -7.9265 -7.9258 -7.8614 -7.8614 -3.9550 -3.9548 -3.1672 -3.1663 -2.8232 -2.8222 -1.8312 -1.8309 -1.2916 -1.2817 -1.2346 -1.2296 -0.6059 -0.5949 -0.4570 -0.4524 0.2708 0.2720 0.4764 0.4779 0.6379 0.6381 0.8094 0.8109 1.3304 1.3347 1.4018 1.4031 1.4533 1.4579 9.7589 9.7592 10.7518 10.7518 11.4389 11.4393 12.4912 12.4925 12.6200 12.6249 k = 0.5000-0.4204-0.7368 ( 8816 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4605 -24.4605 -18.4494 -18.4494 -18.4403 -18.4403 -16.4110 -16.4110 -15.4917 -15.4916 -15.3763 -15.3763 -8.1751 -8.1743 -7.9266 -7.9258 -7.8618 -7.8617 -3.9163 -3.9162 -3.1716 -3.1707 -2.8672 -2.8662 -1.8185 -1.8182 -1.2869 -1.2770 -1.2313 -1.2260 -0.6091 -0.5981 -0.4750 -0.4701 0.2773 0.2784 0.4746 0.4760 0.6272 0.6276 0.8179 0.8193 1.3410 1.3455 1.4144 1.4157 1.4412 1.4463 9.7666 9.7669 10.7465 10.7465 11.4574 11.4578 12.5080 12.5094 12.6066 12.6113 k = 0.5000-0.4092-0.7548 ( 8820 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4605 -24.4605 -18.4485 -18.4485 -18.4412 -18.4412 -16.4073 -16.4073 -15.4824 -15.4824 -15.3912 -15.3912 -8.1751 -8.1743 -7.9266 -7.9258 -7.8621 -7.8621 -3.8825 -3.8824 -3.1695 -3.1686 -2.9110 -2.9101 -1.8065 -1.8063 -1.2834 -1.2735 -1.2288 -1.2231 -0.6102 -0.5991 -0.4934 -0.4882 0.2842 0.2853 0.4729 0.4741 0.6163 0.6169 0.8255 0.8267 1.3507 1.3553 1.4228 1.4252 1.4333 1.4376 9.7739 9.7742 10.7409 10.7409 11.4759 11.4763 12.5240 12.5254 12.5934 12.5979 k = 0.5000-0.3980-0.7728 ( 8824 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4604 -24.4604 -18.4475 -18.4475 -18.4421 -18.4421 -16.4042 -16.4042 -15.4727 -15.4727 -15.4055 -15.4055 -8.1751 -8.1742 -7.9267 -7.9258 -7.8624 -7.8623 -3.8550 -3.8548 -3.1596 -3.1587 -2.9546 -2.9537 -1.7955 -1.7953 -1.2807 -1.2708 -1.2271 -1.2210 -0.6090 -0.5980 -0.5119 -0.5065 0.2915 0.2925 0.4711 0.4722 0.6053 0.6062 0.8319 0.8329 1.3594 1.3635 1.4147 1.4191 1.4425 1.4446 9.7808 9.7811 10.7351 10.7351 11.4941 11.4945 12.5386 12.5399 12.5806 12.5848 k = 0.5000-0.3868-0.7907 ( 8822 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4466 -18.4466 -18.4430 -18.4430 -16.4019 -16.4019 -15.4627 -15.4627 -15.4190 -15.4190 -8.1751 -8.1742 -7.9267 -7.9258 -7.8626 -7.8625 -3.8349 -3.8348 -3.1408 -3.1398 -2.9978 -2.9969 -1.7857 -1.7856 -1.2784 -1.2687 -1.2266 -1.2201 -0.6058 -0.5949 -0.5304 -0.5245 0.2992 0.3002 0.4690 0.4701 0.5944 0.5956 0.8372 0.8379 1.3664 1.3685 1.4054 1.4084 1.4548 1.4566 9.7872 9.7875 10.7289 10.7289 11.5119 11.5123 12.5512 12.5521 12.5686 12.5721 k = 0.5000-0.3755-0.8087 ( 8818 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4457 -18.4457 -18.4439 -18.4439 -16.4005 -16.4005 -15.4523 -15.4523 -15.4315 -15.4315 -8.1750 -8.1741 -7.9267 -7.9257 -7.8627 -7.8627 -3.8230 -3.8229 -3.1126 -3.1116 -3.0404 -3.0397 -1.7776 -1.7775 -1.2761 -1.2665 -1.2273 -1.2204 -0.6008 -0.5899 -0.5483 -0.5421 0.3073 0.3083 0.4665 0.4675 0.5841 0.5854 0.8411 0.8415 1.3667 1.3695 1.4001 1.4017 1.4672 1.4690 9.7931 9.7934 10.7221 10.7221 11.5289 11.5293 12.5541 12.5590 12.5623 12.5647 k = 0.5000-0.3643-0.8267 ( 8814 PWs) bands (ev): -94.3087 -94.3087 -94.3087 -94.3087 -24.4603 -24.4603 -18.4449 -18.4449 -18.4448 -18.4448 -16.4000 -16.4000 -15.4429 -15.4429 -15.4416 -15.4416 -8.1749 -8.1740 -7.9266 -7.9256 -7.8627 -7.8627 -3.8190 -3.8190 -3.0842 -3.0829 -3.0737 -3.0734 -1.7714 -1.7713 -1.2733 -1.2639 -1.2295 -1.2223 -0.5941 -0.5834 -0.5652 -0.5587 0.3158 0.3168 0.4633 0.4642 0.5744 0.5760 0.8437 0.8438 1.3573 1.3650 1.3984 1.4045 1.4794 1.4812 9.7985 9.7988 10.7148 10.7148 11.5449 11.5453 12.5438 12.5482 12.5687 12.5708 k = 0.5000-0.3531-0.8447 ( 8814 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4457 -18.4457 -18.4439 -18.4439 -16.4006 -16.4006 -15.4531 -15.4531 -15.4307 -15.4307 -8.1748 -8.1738 -7.9265 -7.9254 -7.8627 -7.8627 -3.8223 -3.8222 -3.1245 -3.1236 -3.0297 -3.0289 -1.7674 -1.7674 -1.2697 -1.2603 -1.2335 -1.2259 -0.5877 -0.5792 -0.5782 -0.5714 0.3247 0.3256 0.4591 0.4599 0.5660 0.5676 0.8445 0.8448 1.3439 1.3538 1.4024 1.4103 1.4913 1.4931 9.8033 9.8036 10.7067 10.7067 11.5595 11.5598 12.5335 12.5375 12.5724 12.5742 k = 0.5000-0.3419-0.8626 ( 8816 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4465 -18.4465 -18.4431 -18.4431 -16.4025 -16.4025 -15.4618 -15.4617 -15.4194 -15.4194 -8.1747 -8.1737 -7.9264 -7.9253 -7.8625 -7.8625 -3.8316 -3.8315 -3.1652 -3.1644 -2.9778 -2.9770 -1.7659 -1.7659 -1.2649 -1.2555 -1.2391 -1.2314 -0.5967 -0.5894 -0.5747 -0.5646 0.3338 0.3347 0.4537 0.4544 0.5589 0.5607 0.8438 0.8445 1.3287 1.3397 1.4084 1.4169 1.5028 1.5047 9.8076 9.8079 10.6979 10.6979 11.5722 11.5726 12.5238 12.5275 12.5726 12.5744 k = 0.5000-0.3307-0.8806 ( 8820 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4604 -24.4604 -18.4473 -18.4473 -18.4423 -18.4423 -16.4056 -16.4056 -15.4689 -15.4688 -15.4079 -15.4079 -8.1745 -8.1735 -7.9262 -7.9250 -7.8623 -7.8623 -3.8458 -3.8456 -3.2051 -3.2043 -2.9208 -2.9200 -1.7669 -1.7668 -1.2591 -1.2496 -1.2460 -1.2384 -0.6086 -0.6014 -0.5642 -0.5540 0.3432 0.3439 0.4468 0.4476 0.5535 0.5554 0.8417 0.8427 1.3124 1.3240 1.4150 1.4239 1.5140 1.5159 9.8114 9.8117 10.6881 10.6881 11.5825 11.5829 12.5149 12.5183 12.5697 12.5713 k = 0.5000-0.3195-0.8986 ( 8820 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4605 -24.4605 -18.4481 -18.4481 -18.4415 -18.4415 -16.4101 -16.4101 -15.4743 -15.4742 -15.3961 -15.3961 -8.1743 -8.1732 -7.9260 -7.9248 -7.8620 -7.8620 -3.8638 -3.8636 -3.2441 -3.2434 -2.8603 -2.8594 -1.7705 -1.7704 -1.2593 -1.2498 -1.2471 -1.2393 -0.6186 -0.6112 -0.5523 -0.5421 0.3526 0.3532 0.4387 0.4394 0.5499 0.5518 0.8382 0.8395 1.2951 1.3073 1.4218 1.4309 1.5247 1.5267 9.8146 9.8149 10.6773 10.6773 11.5900 11.5904 12.5069 12.5100 12.5642 12.5656 k = 0.8054-0.2135-0.6821 ( 8820 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4605 -24.4605 -18.4481 -18.4481 -18.4415 -18.4415 -16.4101 -16.4101 -15.4742 -15.4742 -15.3962 -15.3962 -8.1743 -8.1732 -7.9260 -7.9248 -7.8620 -7.8620 -3.8638 -3.8636 -3.2441 -3.2434 -2.8602 -2.8594 -1.7705 -1.7704 -1.2593 -1.2498 -1.2471 -1.2393 -0.6186 -0.6113 -0.5523 -0.5421 0.3526 0.3532 0.4387 0.4394 0.5499 0.5518 0.8382 0.8395 1.2951 1.3073 1.4219 1.4309 1.5247 1.5266 9.8146 9.8149 10.6773 10.6773 11.5900 11.5904 12.5069 12.5100 12.5642 12.5656 k = 0.7985-0.2047-0.6641 ( 8826 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4606 -24.4606 -18.4488 -18.4488 -18.4408 -18.4408 -16.4160 -16.4160 -15.4778 -15.4778 -15.3842 -15.3842 -8.1741 -8.1729 -7.9257 -7.9244 -7.8616 -7.8616 -3.8847 -3.8844 -3.2821 -3.2814 -2.7977 -2.7968 -1.7766 -1.7765 -1.2695 -1.2604 -1.2381 -1.2299 -0.6260 -0.6186 -0.5395 -0.5294 0.3618 0.3622 0.4294 0.4302 0.5479 0.5498 0.8335 0.8350 1.2771 1.2898 1.4289 1.4380 1.5349 1.5370 9.8173 9.8176 10.6654 10.6654 11.5939 11.5942 12.4998 12.5026 12.5568 12.5581 k = 0.7916-0.1959-0.6462 ( 8828 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4607 -24.4607 -18.4495 -18.4495 -18.4401 -18.4401 -16.4234 -16.4234 -15.4796 -15.4796 -15.3720 -15.3720 -8.1738 -8.1726 -7.9254 -7.9241 -7.8612 -7.8612 -3.9076 -3.9073 -3.3191 -3.3184 -2.7344 -2.7335 -1.7851 -1.7850 -1.2819 -1.2729 -1.2263 -1.2180 -0.6307 -0.6234 -0.5259 -0.5159 0.3706 0.3708 0.4194 0.4203 0.5473 0.5492 0.8277 0.8293 1.2585 1.2714 1.4360 1.4451 1.5447 1.5468 9.8196 9.8199 10.6523 10.6523 11.5936 11.5939 12.4934 12.4960 12.5486 12.5497 k = 0.7846-0.1871-0.6282 ( 8818 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4609 -24.4609 -18.4502 -18.4502 -18.4395 -18.4395 -16.4321 -16.4321 -15.4795 -15.4795 -15.3597 -15.3597 -8.1734 -8.1722 -7.9250 -7.9236 -7.8606 -7.8606 -3.9320 -3.9316 -3.3550 -3.3544 -2.6718 -2.6710 -1.7959 -1.7958 -1.2951 -1.2862 -1.2126 -1.2044 -0.6327 -0.6254 -0.5117 -0.5016 0.3783 0.3785 0.4094 0.4101 0.5478 0.5498 0.8209 0.8226 1.2393 1.2524 1.4433 1.4523 1.5540 1.5562 9.8215 9.8218 10.6379 10.6380 11.5885 11.5888 12.4877 12.4901 12.5405 12.5415 k = 0.7777-0.1783-0.6102 ( 8818 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4611 -24.4611 -18.4508 -18.4508 -18.4390 -18.4390 -16.4422 -16.4422 -15.4776 -15.4776 -15.3472 -15.3472 -8.1730 -8.1718 -7.9245 -7.9231 -7.8600 -7.8600 -3.9573 -3.9569 -3.3898 -3.3891 -2.6115 -2.6106 -1.8086 -1.8084 -1.3082 -1.2993 -1.1974 -1.1891 -0.6319 -0.6248 -0.4969 -0.4868 0.3833 0.3843 0.4007 0.4011 0.5494 0.5513 0.8133 0.8150 1.2198 1.2329 1.4507 1.4596 1.5628 1.5650 9.8230 9.8233 10.6223 10.6223 11.5779 11.5782 12.4827 12.4848 12.5336 12.5345 k = 0.7707-0.1695-0.5923 ( 8810 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4613 -24.4613 -18.4513 -18.4513 -18.4385 -18.4385 -16.4537 -16.4537 -15.4739 -15.4739 -15.3345 -15.3345 -8.1726 -8.1713 -7.9240 -7.9226 -7.8593 -7.8593 -3.9832 -3.9828 -3.4233 -3.4227 -2.5548 -2.5539 -1.8230 -1.8229 -1.3200 -1.3112 -1.1807 -1.1724 -0.6285 -0.6215 -0.4816 -0.4715 0.3811 0.3829 0.3979 0.3980 0.5516 0.5536 0.8054 0.8067 1.2001 1.2132 1.4583 1.4670 1.5711 1.5734 9.8242 9.8244 10.6053 10.6053 11.5615 11.5618 12.4781 12.4799 12.5288 12.5296 k = 0.7638-0.1607-0.5743 ( 8800 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4616 -24.4616 -18.4518 -18.4518 -18.4381 -18.4381 -16.4664 -16.4664 -15.4684 -15.4684 -15.3218 -15.3218 -8.1720 -8.1707 -7.9234 -7.9220 -7.8586 -7.8586 -4.0094 -4.0090 -3.4556 -3.4550 -2.5034 -2.5025 -1.8389 -1.8388 -1.3292 -1.3206 -1.1627 -1.1544 -0.6225 -0.6157 -0.4659 -0.4558 0.3729 0.3747 0.3997 0.4002 0.5545 0.5565 0.7972 0.7981 1.1804 1.1933 1.4660 1.4746 1.5789 1.5812 9.8251 9.8254 10.5869 10.5870 11.5390 11.5393 12.4739 12.4754 12.5267 12.5273 k = 0.7568-0.1519-0.5564 ( 8800 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4619 -24.4619 -18.4522 -18.4522 -18.4378 -18.4377 -16.4802 -16.4802 -15.4612 -15.4612 -15.3090 -15.3089 -8.1714 -8.1701 -7.9227 -7.9213 -7.8577 -7.8577 -4.0356 -4.0352 -3.4866 -3.4860 -2.4589 -2.4582 -1.8560 -1.8559 -1.3343 -1.3259 -1.1438 -1.1354 -0.6142 -0.6075 -0.4500 -0.4398 0.3639 0.3657 0.4006 0.4017 0.5579 0.5599 0.7893 0.7896 1.1611 1.1737 1.4739 1.4822 1.5862 1.5885 9.8259 9.8261 10.5672 10.5673 11.5104 11.5107 12.4698 12.4711 12.5277 12.5282 k = 0.7499-0.1431-0.5384 ( 8804 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4526 -18.4526 -18.4375 -18.4375 -16.4951 -16.4951 -15.4525 -15.4525 -15.2961 -15.2960 -8.1708 -8.1695 -7.9220 -7.9205 -7.8568 -7.8568 -4.0616 -4.0611 -3.5162 -3.5157 -2.4231 -2.4225 -1.8742 -1.8741 -1.3340 -1.3258 -1.1239 -1.1155 -0.6037 -0.5972 -0.4338 -0.4235 0.3554 0.3573 0.3989 0.4006 0.5617 0.5637 0.7814 0.7819 1.1423 1.1545 1.4820 1.4901 1.5931 1.5954 9.8265 9.8267 10.5461 10.5462 11.4759 11.4761 12.4657 12.4668 12.5319 12.5324 k = 0.7430-0.1343-0.5204 ( 8804 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4625 -24.4625 -18.4529 -18.4529 -18.4373 -18.4373 -16.5109 -16.5109 -15.4423 -15.4423 -15.2831 -15.2831 -8.1701 -8.1687 -7.9212 -7.9197 -7.8559 -7.8559 -4.0872 -4.0867 -3.5445 -3.5440 -2.3973 -2.3968 -1.8932 -1.8931 -1.3269 -1.3189 -1.1032 -1.0947 -0.5912 -0.5849 -0.4175 -0.4071 0.3480 0.3499 0.3938 0.3961 0.5658 0.5679 0.7740 0.7755 1.1244 1.1360 1.4904 1.4982 1.5994 1.6018 9.8271 9.8273 10.5237 10.5239 11.4359 11.4361 12.4615 12.4625 12.5394 12.5398 k = 0.7360-0.1255-0.5025 ( 8806 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4629 -24.4629 -18.4532 -18.4532 -18.4372 -18.4371 -16.5275 -16.5275 -15.4308 -15.4308 -15.2702 -15.2702 -8.1693 -8.1680 -7.9203 -7.9189 -7.8549 -7.8549 -4.1122 -4.1117 -3.5715 -3.5709 -2.3825 -2.3821 -1.9129 -1.9128 -1.3124 -1.3047 -1.0819 -1.0733 -0.5770 -0.5708 -0.4011 -0.3906 0.3418 0.3438 0.3848 0.3876 0.5703 0.5724 0.7678 0.7703 1.1076 1.1186 1.4989 1.5065 1.6053 1.6077 9.8276 9.8278 10.5001 10.5003 11.3910 11.3913 12.4572 12.4580 12.5499 12.5502 k = 0.7291-0.1167-0.4845 ( 8810 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4633 -24.4633 -18.4534 -18.4534 -18.4371 -18.4371 -16.5447 -16.5447 -15.4180 -15.4180 -15.2572 -15.2572 -8.1685 -8.1671 -7.9194 -7.9179 -7.8538 -7.8538 -4.1365 -4.1360 -3.5969 -3.5964 -2.3789 -2.3787 -1.9331 -1.9331 -1.2903 -1.2829 -1.0600 -1.0513 -0.5612 -0.5551 -0.3849 -0.3742 0.3371 0.3394 0.3718 0.3748 0.5750 0.5771 0.7629 0.7665 1.0922 1.1024 1.5077 1.5150 1.6108 1.6132 9.8282 9.8284 10.4754 10.4755 11.3419 11.3421 12.4527 12.4534 12.5629 12.5633 k = 0.7221-0.1079-0.4665 ( 8804 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4637 -24.4637 -18.4536 -18.4536 -18.4371 -18.4371 -16.5625 -16.5625 -15.4042 -15.4042 -15.2444 -15.2443 -8.1676 -8.1662 -7.9184 -7.9169 -7.8527 -7.8527 -4.1600 -4.1594 -3.6210 -3.6205 -2.3863 -2.3862 -1.9537 -1.9537 -1.2612 -1.2541 -1.0376 -1.0287 -0.5440 -0.5379 -0.3688 -0.3579 0.3332 0.3366 0.3553 0.3578 0.5800 0.5820 0.7596 0.7642 1.0784 1.0877 1.5168 1.5239 1.6159 1.6183 9.8289 9.8291 10.4495 10.4497 11.2892 11.2894 12.4481 12.4488 12.5782 12.5785 k = 0.7152-0.0991-0.4486 ( 8808 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4642 -24.4642 -18.4537 -18.4537 -18.4372 -18.4372 -16.5807 -16.5807 -15.3894 -15.3894 -15.2315 -15.2315 -8.1666 -8.1653 -7.9174 -7.9159 -7.8516 -7.8515 -4.1825 -4.1820 -3.6436 -3.6431 -2.4038 -2.4035 -1.9746 -1.9745 -1.2263 -1.2194 -1.0147 -1.0057 -0.5257 -0.5196 -0.3529 -0.3420 0.3240 0.3304 0.3417 0.3420 0.5852 0.5872 0.7576 0.7632 1.0662 1.0747 1.5263 1.5331 1.6207 1.6231 9.8298 9.8299 10.4226 10.4228 11.2335 11.2338 12.4436 12.4441 12.5951 12.5954 k = 0.7083-0.0903-0.4306 ( 8814 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4646 -24.4646 -18.4537 -18.4537 -18.4374 -18.4374 -16.5991 -16.5991 -15.3738 -15.3738 -15.2188 -15.2188 -8.1656 -8.1643 -7.9163 -7.9148 -7.8504 -7.8504 -4.2040 -4.2034 -3.6648 -3.6642 -2.4301 -2.4296 -1.9956 -1.9956 -1.1869 -1.1802 -0.9914 -0.9823 -0.5065 -0.5004 -0.3375 -0.3264 0.3007 0.3067 0.3412 0.3415 0.5907 0.5926 0.7568 0.7631 1.0559 1.0635 1.5361 1.5427 1.6252 1.6276 9.8308 9.8309 10.3947 10.3949 11.1757 11.1759 12.4391 12.4396 12.6134 12.6137 k = 0.7013-0.0815-0.4127 ( 8810 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4651 -24.4651 -18.4537 -18.4537 -18.4377 -18.4377 -16.6178 -16.6178 -15.3575 -15.3575 -15.2062 -15.2062 -8.1646 -8.1632 -7.9152 -7.9137 -7.8492 -7.8491 -4.2244 -4.2238 -3.6844 -3.6839 -2.4639 -2.4632 -2.0166 -2.0166 -1.1446 -1.1381 -0.9677 -0.9585 -0.4867 -0.4805 -0.3226 -0.3113 0.2708 0.2765 0.3459 0.3466 0.5964 0.5982 0.7568 0.7638 1.0474 1.0542 1.5464 1.5527 1.6294 1.6318 9.8320 9.8321 10.3660 10.3663 11.1162 11.1164 12.4349 12.4354 12.6325 12.6328 k = 0.6944-0.0727-0.3947 ( 8816 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4656 -24.4656 -18.4536 -18.4536 -18.4380 -18.4380 -16.6365 -16.6365 -15.3405 -15.3405 -15.1937 -15.1937 -8.1635 -8.1621 -7.9140 -7.9125 -7.8479 -7.8479 -4.2436 -4.2429 -3.7027 -3.7022 -2.5038 -2.5030 -2.0377 -2.0377 -1.1007 -1.0943 -0.9437 -0.9343 -0.4665 -0.4602 -0.3084 -0.2970 0.2371 0.2426 0.3542 0.3552 0.6026 0.6042 0.7573 0.7648 1.0408 1.0468 1.5571 1.5632 1.6335 1.6358 9.8334 9.8334 10.3367 10.3369 11.0556 11.0559 12.4312 12.4317 12.6522 12.6526 k = 0.6874-0.0639-0.3767 ( 8812 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4662 -24.4662 -18.4535 -18.4535 -18.4384 -18.4384 -16.6552 -16.6552 -15.3232 -15.3231 -15.1814 -15.1814 -8.1623 -8.1610 -7.9128 -7.9113 -7.8466 -7.8466 -4.2614 -4.2608 -3.7195 -3.7190 -2.5488 -2.5479 -2.0587 -2.0586 -1.0565 -1.0502 -0.9193 -0.9097 -0.4464 -0.4400 -0.2950 -0.2834 0.2004 0.2057 0.3658 0.3671 0.6092 0.6106 0.7578 0.7657 1.0361 1.0413 1.5683 1.5741 1.6374 1.6398 9.8349 9.8350 10.3067 10.3069 10.9946 10.9949 12.4282 12.4286 12.6721 12.6725 k = 0.6805-0.0551-0.3588 ( 8812 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4667 -24.4667 -18.4533 -18.4533 -18.4388 -18.4388 -16.6737 -16.6737 -15.3054 -15.3054 -15.1693 -15.1693 -8.1612 -8.1598 -7.9115 -7.9100 -7.8453 -7.8453 -4.2779 -4.2773 -3.7348 -3.7343 -2.5978 -2.5968 -2.0795 -2.0794 -1.0131 -1.0068 -0.8946 -0.8848 -0.4267 -0.4202 -0.2826 -0.2709 0.1613 0.1665 0.3808 0.3824 0.6165 0.6176 0.7581 0.7664 1.0332 1.0377 1.5800 1.5855 1.6414 1.6436 9.8367 9.8367 10.2762 10.2764 10.9335 10.9338 12.4259 12.4263 12.6919 12.6924 k = 0.6735-0.0463-0.3408 ( 8804 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4673 -24.4673 -18.4531 -18.4531 -18.4393 -18.4393 -16.6921 -16.6921 -15.2874 -15.2874 -15.1574 -15.1574 -8.1600 -8.1586 -7.9102 -7.9087 -7.8440 -7.8440 -4.2930 -4.2924 -3.7487 -3.7482 -2.6500 -2.6489 -2.1000 -2.1000 -0.9711 -0.9647 -0.8695 -0.8596 -0.4077 -0.4011 -0.2714 -0.2597 0.1205 0.1256 0.3990 0.4009 0.6247 0.6254 0.7580 0.7664 1.0320 1.0359 1.5922 1.5975 1.6453 1.6475 9.8386 9.8386 10.2453 10.2455 10.8728 10.8731 12.4246 12.4250 12.7115 12.7121 k = 0.6666-0.0375-0.3228 ( 8808 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4678 -24.4678 -18.4529 -18.4529 -18.4399 -18.4399 -16.7102 -16.7102 -15.2693 -15.2692 -15.1457 -15.1457 -8.1587 -8.1574 -7.9089 -7.9074 -7.8427 -7.8427 -4.3067 -4.3060 -3.7612 -3.7608 -2.7046 -2.7035 -2.1202 -2.1202 -0.9310 -0.9247 -0.8441 -0.8341 -0.3899 -0.3832 -0.2617 -0.2500 0.0785 0.0836 0.4198 0.4222 0.6343 0.6344 0.7572 0.7658 1.0324 1.0357 1.6049 1.6099 1.6494 1.6516 9.8405 9.8406 10.2142 10.2144 10.8130 10.8133 12.4243 12.4248 12.7306 12.7313 k = 0.6597-0.0288-0.3049 ( 8818 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4684 -24.4684 -18.4526 -18.4526 -18.4405 -18.4405 -16.7280 -16.7279 -15.2510 -15.2510 -15.1343 -15.1343 -8.1575 -8.1562 -7.9076 -7.9061 -7.8414 -7.8413 -4.3188 -4.3181 -3.7724 -3.7720 -2.7612 -2.7600 -2.1401 -2.1401 -0.8933 -0.8869 -0.8185 -0.8082 -0.3734 -0.3666 -0.2539 -0.2424 0.0363 0.0416 0.4425 0.4456 0.6452 0.6458 0.7556 0.7642 1.0342 1.0371 1.6180 1.6228 1.6538 1.6558 9.8424 9.8425 10.1829 10.1831 10.7545 10.7548 12.4253 12.4258 12.7490 12.7498 k = 0.6527-0.0200-0.2869 ( 8818 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4690 -24.4690 -18.4523 -18.4523 -18.4412 -18.4412 -16.7453 -16.7453 -15.2329 -15.2329 -15.1232 -15.1232 -8.1562 -8.1550 -7.9062 -7.9048 -7.8400 -7.8400 -4.3293 -4.3286 -3.7822 -3.7818 -2.8191 -2.8180 -2.1596 -2.1595 -0.8580 -0.8515 -0.7925 -0.7820 -0.3585 -0.3516 -0.2487 -0.2377 -0.0054 0.0004 0.4660 0.4699 0.6586 0.6601 0.7531 0.7618 1.0374 1.0398 1.6316 1.6361 1.6585 1.6603 9.8443 9.8443 10.1516 10.1518 10.6976 10.6980 12.4275 12.4280 12.7667 12.7676 k = 0.6458-0.0112-0.2690 ( 8806 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4696 -24.4696 -18.4519 -18.4519 -18.4419 -18.4419 -16.7622 -16.7622 -15.2149 -15.2149 -15.1124 -15.1124 -8.1549 -8.1537 -7.9049 -7.9035 -7.8387 -7.8387 -4.3382 -4.3375 -3.7908 -3.7904 -2.8780 -2.8768 -2.1785 -2.1785 -0.8252 -0.8187 -0.7663 -0.7556 -0.3453 -0.3384 -0.2471 -0.2370 -0.0450 -0.0382 0.4889 0.4937 0.6756 0.6779 0.7498 0.7586 1.0417 1.0438 1.6455 1.6496 1.6637 1.6654 9.8458 9.8458 10.1204 10.1206 10.6429 10.6432 12.4311 12.4316 12.7834 12.7844 k = 0.6388-0.0024-0.2510 ( 8804 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4702 -24.4702 -18.4515 -18.4515 -18.4427 -18.4427 -16.7785 -16.7785 -15.1971 -15.1971 -15.1019 -15.1019 -8.1537 -8.1525 -7.9035 -7.9022 -7.8374 -7.8374 -4.3454 -4.3447 -3.7981 -3.7977 -2.9375 -2.9363 -2.1970 -2.1969 -0.7948 -0.7884 -0.7399 -0.7290 -0.3337 -0.3268 -0.2509 -0.2425 -0.0803 -0.0719 0.5097 0.5153 0.6970 0.6999 0.7456 0.7546 1.0470 1.0488 1.6595 1.6629 1.6700 1.6711 9.8469 9.8469 10.0894 10.0897 10.5905 10.5909 12.4361 12.4366 12.7990 12.8003 k = 0.6319 0.0064-0.2330 ( 8804 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4707 -24.4707 -18.4511 -18.4511 -18.4435 -18.4435 -16.7943 -16.7943 -15.1796 -15.1796 -15.0918 -15.0918 -8.1524 -8.1513 -7.9022 -7.9009 -7.8361 -7.8361 -4.3510 -4.3503 -3.8043 -3.8039 -2.9971 -2.9959 -2.2149 -2.2148 -0.7668 -0.7604 -0.7135 -0.7022 -0.3239 -0.3168 -0.2626 -0.2566 -0.1088 -0.0981 0.5274 0.5337 0.7226 0.7250 0.7411 0.7512 1.0531 1.0547 1.6726 1.6733 1.6785 1.6800 9.8473 9.8473 10.0589 10.0591 10.5410 10.5414 12.4425 12.4429 12.8134 12.8150 k = 0.6250 0.0152-0.2151 ( 8810 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4713 -24.4713 -18.4507 -18.4507 -18.4443 -18.4443 -16.8095 -16.8095 -15.1625 -15.1625 -15.0821 -15.0821 -8.1512 -8.1501 -7.9009 -7.8996 -7.8348 -7.8348 -4.3548 -4.3541 -3.8094 -3.8090 -3.0568 -3.0556 -2.2321 -2.2321 -0.7410 -0.7347 -0.6869 -0.6752 -0.3158 -0.3084 -0.2835 -0.2801 -0.1284 -0.1153 0.5419 0.5484 0.7325 0.7377 0.7562 0.7638 1.0600 1.0613 1.6810 1.6819 1.6906 1.6937 9.8469 9.8469 10.0288 10.0290 10.4948 10.4952 12.4502 12.4506 12.8262 12.8282 k = 0.6180 0.0240-0.1971 ( 8806 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4719 -24.4719 -18.4503 -18.4503 -18.4451 -18.4451 -16.8240 -16.8240 -15.1459 -15.1459 -15.0728 -15.0728 -8.1500 -8.1489 -7.8996 -7.8984 -7.8335 -7.8335 -4.3570 -4.3562 -3.8134 -3.8131 -3.1161 -3.1149 -2.2487 -2.2487 -0.7172 -0.7112 -0.6603 -0.6482 -0.3174 -0.3117 -0.3043 -0.3011 -0.1401 -0.1252 0.5532 0.5598 0.7261 0.7328 0.7902 0.7964 1.0675 1.0686 1.6888 1.6899 1.7048 1.7080 9.8453 9.8453 9.9993 9.9995 10.4521 10.4525 12.4592 12.4597 12.8367 12.8394 k = 0.6111 0.0328-0.1791 ( 8808 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4724 -24.4724 -18.4499 -18.4499 -18.4459 -18.4459 -16.8379 -16.8379 -15.1298 -15.1298 -15.0639 -15.0639 -8.1488 -8.1478 -7.8983 -7.8972 -7.8323 -7.8323 -4.3573 -4.3566 -3.8165 -3.8162 -3.1748 -3.1736 -2.2646 -2.2646 -0.6954 -0.6896 -0.6337 -0.6211 -0.3498 -0.3476 -0.3008 -0.2952 -0.1466 -0.1305 0.5620 0.5684 0.7185 0.7253 0.8268 0.8327 1.0755 1.0764 1.6975 1.6984 1.7193 1.7223 9.8423 9.8424 9.9705 9.9708 10.4135 10.4139 12.4695 12.4699 12.8429 12.8465 k = 0.6041 0.0416-0.1612 ( 8806 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4729 -24.4729 -18.4494 -18.4494 -18.4467 -18.4467 -16.8510 -16.8510 -15.1143 -15.1143 -15.0554 -15.0554 -8.1477 -8.1467 -7.8971 -7.8960 -7.8311 -7.8311 -4.3559 -4.3552 -3.8187 -3.8184 -3.2327 -3.2316 -2.2798 -2.2797 -0.6754 -0.6699 -0.6071 -0.5941 -0.3870 -0.3858 -0.2961 -0.2902 -0.1504 -0.1335 0.5689 0.5750 0.7101 0.7169 0.8644 0.8700 1.0838 1.0845 1.7070 1.7078 1.7338 1.7365 9.8378 9.8378 9.9427 9.9429 10.3791 10.3794 12.4809 12.4813 12.8403 12.8441 k = 0.5972 0.0504-0.1432 ( 8804 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4734 -24.4734 -18.4490 -18.4490 -18.4475 -18.4475 -16.8634 -16.8634 -15.0995 -15.0995 -15.0474 -15.0474 -8.1466 -8.1456 -7.8959 -7.8949 -7.8299 -7.8299 -4.3528 -4.3521 -3.8202 -3.8198 -3.2896 -3.2885 -2.2941 -2.2941 -0.6571 -0.6519 -0.5807 -0.5673 -0.4249 -0.4244 -0.2919 -0.2860 -0.1531 -0.1355 0.5742 0.5800 0.7012 0.7078 0.9017 0.9070 1.0923 1.0929 1.7175 1.7181 1.7479 1.7505 9.8315 9.8315 9.9159 9.9161 10.3491 10.3495 12.4933 12.4937 12.8274 12.8300 k = 0.5902 0.0592-0.1253 ( 8808 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4739 -24.4739 -18.4486 -18.4486 -18.4483 -18.4483 -16.8750 -16.8750 -15.0854 -15.0854 -15.0399 -15.0398 -8.1455 -8.1446 -7.8948 -7.8938 -7.8288 -7.8288 -4.3480 -4.3473 -3.8209 -3.8206 -3.3453 -3.3442 -2.3077 -2.3076 -0.6405 -0.6356 -0.5547 -0.5413 -0.4625 -0.4620 -0.2884 -0.2826 -0.1555 -0.1375 0.5784 0.5838 0.6919 0.6982 0.9377 0.9429 1.1010 1.1014 1.7288 1.7293 1.7617 1.7640 9.8234 9.8235 9.8902 9.8904 10.3237 10.3241 12.5065 12.5069 12.8092 12.8108 k = 0.5833 0.0680-0.1073 ( 8802 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4744 -24.4744 -18.4491 -18.4491 -18.4482 -18.4482 -16.8859 -16.8859 -15.0721 -15.0721 -15.0328 -15.0328 -8.1445 -8.1437 -7.8937 -7.8928 -7.8277 -7.8277 -4.3415 -4.3408 -3.8211 -3.8208 -3.3995 -3.3984 -2.3203 -2.3203 -0.6254 -0.6208 -0.5298 -0.5204 -0.4983 -0.4931 -0.2855 -0.2797 -0.1581 -0.1396 0.5816 0.5865 0.6823 0.6883 0.9719 0.9768 1.1096 1.1099 1.7411 1.7414 1.7750 1.7771 9.8136 9.8137 9.8657 9.8659 10.3027 10.3031 12.5204 12.5208 12.7894 12.7905 k = 0.5764 0.0768-0.0893 ( 8806 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4748 -24.4748 -18.4498 -18.4498 -18.4478 -18.4478 -16.8959 -16.8959 -15.0597 -15.0597 -15.0263 -15.0263 -8.1436 -8.1428 -7.8927 -7.8918 -7.8267 -7.8267 -4.3335 -4.3327 -3.8207 -3.8204 -3.4520 -3.4510 -2.3321 -2.3321 -0.6118 -0.6075 -0.5390 -0.5371 -0.5008 -0.4833 -0.2830 -0.2772 -0.1612 -0.1424 0.5841 0.5885 0.6727 0.6783 1.0035 1.0083 1.1182 1.1183 1.7540 1.7542 1.7877 1.7896 9.8024 9.8024 9.8427 9.8429 10.2860 10.2863 12.5348 12.5351 12.7695 12.7702 k = 0.5694 0.0856-0.0714 ( 8810 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4752 -24.4752 -18.4505 -18.4505 -18.4474 -18.4474 -16.9051 -16.9051 -15.0481 -15.0481 -15.0202 -15.0202 -8.1427 -8.1420 -7.8917 -7.8910 -7.8258 -7.8258 -4.3239 -4.3232 -3.8200 -3.8197 -3.5027 -3.5016 -2.3430 -2.3430 -0.5997 -0.5957 -0.5708 -0.5694 -0.4765 -0.4588 -0.2809 -0.2752 -0.1650 -0.1459 0.5859 0.5898 0.6632 0.6684 1.0324 1.0369 1.1265 1.1266 1.7674 1.7674 1.7997 1.8013 9.7901 9.7901 9.8212 9.8213 10.2730 10.2734 12.5493 12.5496 12.7500 12.7506 k = 0.5625 0.0944-0.0534 ( 8798 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4756 -24.4756 -18.4512 -18.4512 -18.4471 -18.4471 -16.9135 -16.9135 -15.0376 -15.0376 -15.0148 -15.0147 -8.1419 -8.1412 -7.8909 -7.8902 -7.8249 -7.8249 -4.3129 -4.3122 -3.8189 -3.8187 -3.5511 -3.5501 -2.3529 -2.3529 -0.6014 -0.6009 -0.5881 -0.5849 -0.4520 -0.4338 -0.2792 -0.2734 -0.1695 -0.1503 0.5872 0.5904 0.6542 0.6588 1.0581 1.0624 1.1345 1.1347 1.7809 1.7810 1.8109 1.8123 9.7771 9.7771 9.8013 9.8015 10.2634 10.2637 12.5637 12.5640 12.7315 12.7319 k = 0.5555 0.1032-0.0354 ( 8796 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4759 -24.4759 -18.4518 -18.4518 -18.4468 -18.4468 -16.9210 -16.9210 -15.0280 -15.0280 -15.0098 -15.0098 -8.1411 -8.1406 -7.8901 -7.8894 -7.8241 -7.8241 -4.3008 -4.3001 -3.8177 -3.8175 -3.5971 -3.5961 -2.3619 -2.3618 -0.6295 -0.6289 -0.5788 -0.5757 -0.4280 -0.4092 -0.2777 -0.2718 -0.1749 -0.1556 0.5879 0.5904 0.6458 0.6497 1.0806 1.0846 1.1422 1.1425 1.7943 1.7945 1.8213 1.8225 9.7640 9.7640 9.7832 9.7833 10.2565 10.2568 12.5778 12.5781 12.7142 12.7145 k = 0.5486 0.1120-0.0175 ( 8794 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4762 -24.4762 -18.4523 -18.4523 -18.4465 -18.4465 -16.9277 -16.9277 -15.0194 -15.0194 -15.0054 -15.0054 -8.1405 -8.1400 -7.8893 -7.8888 -7.8234 -7.8234 -4.2877 -4.2871 -3.8164 -3.8162 -3.6402 -3.6393 -2.3698 -2.3698 -0.6549 -0.6545 -0.5704 -0.5677 -0.4048 -0.3852 -0.2765 -0.2704 -0.1813 -0.1619 0.5880 0.5899 0.6383 0.6415 1.0998 1.1035 1.1495 1.1499 1.8071 1.8074 1.8308 1.8317 9.7513 9.7513 9.7669 9.7670 10.2519 10.2521 12.5913 12.5915 12.6983 12.6986 k = 0.5417 0.1208 0.0005 ( 8794 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4765 -24.4765 -18.4528 -18.4528 -18.4462 -18.4462 -16.9335 -16.9335 -15.0119 -15.0119 -15.0016 -15.0016 -8.1399 -8.1394 -7.8887 -7.8882 -7.8228 -7.8228 -4.2741 -4.2735 -3.8150 -3.8149 -3.6800 -3.6792 -2.3768 -2.3767 -0.6774 -0.6770 -0.5632 -0.5608 -0.3825 -0.3620 -0.2756 -0.2692 -0.1886 -0.1693 0.5876 0.5887 0.6319 0.6342 1.1157 1.1190 1.1566 1.1570 1.8191 1.8195 1.8393 1.8400 9.7393 9.7394 9.7526 9.7527 10.2489 10.2491 12.6037 12.6039 12.6842 12.6844 k = 0.5347 0.1296 0.0184 ( 8794 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4767 -24.4767 -18.4532 -18.4532 -18.4460 -18.4460 -16.9384 -16.9384 -15.0056 -15.0056 -14.9983 -14.9983 -8.1394 -8.1390 -7.8882 -7.8877 -7.8223 -7.8223 -4.2604 -4.2598 -3.8138 -3.8136 -3.7159 -3.7152 -2.3827 -2.3826 -0.6967 -0.6964 -0.5571 -0.5551 -0.3613 -0.3399 -0.2750 -0.2679 -0.1968 -0.1779 0.5867 0.5871 0.6267 0.6282 1.1285 1.1312 1.1632 1.1636 1.8297 1.8302 1.8468 1.8473 9.7286 9.7286 9.7403 9.7404 10.2472 10.2474 12.6149 12.6151 12.6719 12.6720 k = 0.5278 0.1384 0.0364 ( 8790 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4769 -24.4769 -18.4536 -18.4536 -18.4458 -18.4458 -16.9424 -16.9424 -15.0003 -15.0003 -14.9957 -14.9957 -8.1389 -8.1386 -7.8877 -7.8874 -7.8218 -7.8218 -4.2472 -4.2467 -3.8128 -3.8126 -3.7472 -3.7466 -2.3875 -2.3875 -0.7127 -0.7125 -0.5522 -0.5506 -0.3414 -0.3190 -0.2745 -0.2666 -0.2059 -0.1877 0.5852 0.5854 0.6227 0.6236 1.1382 1.1403 1.1693 1.1696 1.8387 1.8392 1.8534 1.8537 9.7194 9.7194 9.7301 9.7302 10.2463 10.2464 12.6245 12.6247 12.6616 12.6617 k = 0.5208 0.1472 0.0544 ( 8780 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4771 -24.4771 -18.4539 -18.4539 -18.4456 -18.4456 -16.9455 -16.9455 -14.9962 -14.9962 -14.9936 -14.9936 -8.1386 -8.1384 -7.8873 -7.8871 -7.8215 -7.8215 -4.2354 -4.2350 -3.8121 -3.8120 -3.7729 -3.7724 -2.3913 -2.3913 -0.7252 -0.7251 -0.5483 -0.5471 -0.3231 -0.2997 -0.2742 -0.2651 -0.2156 -0.1986 0.5834 0.5838 0.6199 0.6203 1.1453 1.1469 1.1745 1.1746 1.8456 1.8461 1.8589 1.8591 9.7120 9.7120 9.7222 9.7222 10.2460 10.2461 12.6323 12.6324 12.6535 12.6535 k = 0.5139 0.1560 0.0723 ( 8774 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4772 -24.4772 -18.4541 -18.4541 -18.4455 -18.4455 -16.9478 -16.9478 -14.9932 -14.9932 -14.9921 -14.9921 -8.1383 -8.1382 -7.8870 -7.8869 -7.8212 -7.8212 -4.2258 -4.2256 -3.8123 -3.8122 -3.7917 -3.7913 -2.3940 -2.3940 -0.7343 -0.7342 -0.5454 -0.5446 -0.3070 -0.2844 -0.2724 -0.2630 -0.2255 -0.2104 0.5818 0.5822 0.6180 0.6181 1.1501 1.1511 1.1785 1.1785 1.8505 1.8509 1.8632 1.8632 9.7066 9.7066 9.7165 9.7165 10.2459 10.2460 12.6381 12.6382 12.6476 12.6476 k = 0.5069 0.1647 0.0903 ( 8772 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4772 -24.4772 -18.4542 -18.4542 -18.4455 -18.4455 -16.9491 -16.9491 -14.9915 -14.9915 -14.9912 -14.9912 -8.1382 -8.1381 -7.8869 -7.8868 -7.8211 -7.8211 -4.2196 -4.2194 -3.8141 -3.8140 -3.8017 -3.8015 -2.3956 -2.3956 -0.7397 -0.7397 -0.5437 -0.5433 -0.2939 -0.2811 -0.2631 -0.2601 -0.2335 -0.2228 0.5809 0.5811 0.6169 0.6169 1.1530 1.1535 1.1810 1.1810 1.8534 1.8536 1.8659 1.8659 9.7032 9.7032 9.7130 9.7130 10.2459 10.2459 12.6416 12.6416 12.6440 12.6440 k = 0.5000 0.1735 0.1083 ( 8782 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4542 -18.4542 -18.4455 -18.4455 -16.9496 -16.9496 -14.9910 -14.9910 -14.9908 -14.9908 -8.1381 -8.1381 -7.8868 -7.8868 -7.8210 -7.8210 -4.2174 -4.2174 -3.8157 -3.8157 -3.8040 -3.8040 -2.3962 -2.3962 -0.7415 -0.7415 -0.5430 -0.5430 -0.2852 -0.2852 -0.2576 -0.2576 -0.2332 -0.2332 0.5806 0.5806 0.6166 0.6166 1.1541 1.1541 1.1818 1.1818 1.8544 1.8544 1.8668 1.8668 9.7021 9.7021 9.7119 9.7119 10.2459 10.2459 12.6427 12.6427 12.6430 12.6430 k = 0.5000 0.1735 0.1083 ( 8782 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4542 -18.4542 -18.4455 -18.4455 -16.9496 -16.9496 -14.9910 -14.9910 -14.9908 -14.9908 -8.1381 -8.1381 -7.8868 -7.8868 -7.8210 -7.8210 -4.2174 -4.2174 -3.8157 -3.8157 -3.8040 -3.8040 -2.3962 -2.3962 -0.7415 -0.7415 -0.5430 -0.5430 -0.2852 -0.2852 -0.2576 -0.2576 -0.2332 -0.2332 0.5806 0.5806 0.6166 0.6166 1.1541 1.1541 1.1818 1.1818 1.8544 1.8544 1.8668 1.8668 9.7021 9.7021 9.7119 9.7119 10.2459 10.2459 12.6427 12.6427 12.6430 12.6430 k = 0.4808 0.1669 0.1041 ( 8770 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4550 -18.4550 -18.4446 -18.4446 -16.9496 -16.9496 -14.9910 -14.9910 -14.9908 -14.9908 -8.1381 -8.1381 -7.8868 -7.8868 -7.8211 -7.8210 -4.2174 -4.2174 -3.8159 -3.8155 -3.8043 -3.8038 -2.3961 -2.3961 -0.7416 -0.7415 -0.5453 -0.5451 -0.2889 -0.2802 -0.2622 -0.2520 -0.2312 -0.2300 0.5642 0.5958 0.5997 0.6322 1.1453 1.1632 1.1727 1.1913 1.8534 1.8555 1.8657 1.8680 9.6196 9.6197 9.7864 9.7864 10.2559 10.2560 12.6223 12.6225 12.6640 12.6643 k = 0.4615 0.1602 0.0999 ( 8770 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4569 -18.4569 -18.4427 -18.4427 -16.9496 -16.9496 -14.9910 -14.9910 -14.9908 -14.9908 -8.1382 -8.1381 -7.8869 -7.8868 -7.8211 -7.8209 -4.2175 -4.2175 -3.8162 -3.8154 -3.8045 -3.8037 -2.3960 -2.3960 -0.7416 -0.7414 -0.5518 -0.5514 -0.2916 -0.2737 -0.2659 -0.2456 -0.2243 -0.2222 0.5468 0.5819 0.6095 0.6463 1.1372 1.1642 1.1724 1.2009 1.8524 1.8566 1.8647 1.8691 9.5281 9.5282 9.8531 9.8531 10.2868 10.2869 12.6030 12.6031 12.6858 12.6862 k = 0.4423 0.1535 0.0958 ( 8770 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4593 -18.4593 -18.4403 -18.4403 -16.9496 -16.9496 -14.9910 -14.9910 -14.9908 -14.9908 -8.1384 -8.1382 -7.8870 -7.8869 -7.8212 -7.8209 -4.2177 -4.2177 -3.8166 -3.8153 -3.8049 -3.8036 -2.3957 -2.3957 -0.7417 -0.7414 -0.5618 -0.5612 -0.2935 -0.2686 -0.2660 -0.2383 -0.2127 -0.2103 0.5285 0.5633 0.6214 0.6587 1.1298 1.1565 1.1817 1.2105 1.8514 1.8577 1.8636 1.8702 9.4348 9.4349 9.9042 9.9042 10.3392 10.3394 12.5850 12.5851 12.7079 12.7084 k = 0.4231 0.1468 0.0916 ( 8779 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4618 -18.4617 -18.4377 -18.4377 -16.9497 -16.9497 -14.9910 -14.9910 -14.9908 -14.9908 -8.1385 -8.1384 -7.8872 -7.8870 -7.8212 -7.8208 -4.2180 -4.2180 -3.8170 -3.8153 -3.8053 -3.8036 -2.3954 -2.3954 -0.7419 -0.7415 -0.5744 -0.5736 -0.2947 -0.2704 -0.2574 -0.2302 -0.1973 -0.1950 0.5097 0.5441 0.6313 0.6690 1.1235 1.1498 1.1909 1.2199 1.8505 1.8587 1.8627 1.8713 9.3413 9.3414 9.9398 9.9399 10.4112 10.4115 12.5686 12.5686 12.7299 12.7305 k = 0.4038 0.1402 0.0874 ( 8779 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4643 -18.4643 -18.4351 -18.4351 -16.9497 -16.9497 -14.9910 -14.9910 -14.9908 -14.9907 -8.1388 -8.1385 -7.8874 -7.8871 -7.8213 -7.8208 -4.2184 -4.2184 -3.8174 -3.8154 -3.8057 -3.8037 -2.3950 -2.3950 -0.7422 -0.7417 -0.5887 -0.5878 -0.2950 -0.2713 -0.2479 -0.2213 -0.1791 -0.1770 0.4905 0.5246 0.6389 0.6770 1.1184 1.1444 1.1998 1.2291 1.8496 1.8597 1.8618 1.8723 9.2487 9.2488 9.9633 9.9634 10.4985 10.4987 12.5538 12.5539 12.7515 12.7521 k = 0.3846 0.1335 0.0833 ( 8767 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4668 -18.4668 -18.4325 -18.4325 -16.9498 -16.9498 -14.9910 -14.9909 -14.9908 -14.9907 -8.1390 -8.1388 -7.8876 -7.8873 -7.8213 -7.8207 -4.2188 -4.2188 -3.8178 -3.8155 -3.8061 -3.8038 -2.3945 -2.3945 -0.7427 -0.7421 -0.6040 -0.6029 -0.2946 -0.2711 -0.2379 -0.2118 -0.1587 -0.1568 0.4711 0.5049 0.6439 0.6825 1.1148 1.1406 1.2084 1.2379 1.8489 1.8606 1.8609 1.8733 9.1578 9.1579 9.9786 9.9787 10.5961 10.5963 12.5409 12.5410 12.7723 12.7729 k = 0.3654 0.1268 0.0791 ( 8773 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4692 -18.4692 -18.4299 -18.4299 -16.9499 -16.9499 -14.9910 -14.9909 -14.9908 -14.9907 -8.1393 -8.1390 -7.8879 -7.8875 -7.8214 -7.8207 -4.2193 -4.2193 -3.8183 -3.8156 -3.8066 -3.8039 -2.3940 -2.3939 -0.7436 -0.7428 -0.6196 -0.6184 -0.2933 -0.2701 -0.2272 -0.2016 -0.1369 -0.1352 0.4516 0.4853 0.6463 0.6851 1.1129 1.1385 1.2166 1.2462 1.8482 1.8602 1.8615 1.8742 9.0691 9.0692 9.9888 9.9888 10.7004 10.7007 12.5299 12.5300 12.7918 12.7923 k = 0.3462 0.1201 0.0749 ( 8767 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4717 -18.4717 -18.4274 -18.4274 -16.9500 -16.9500 -14.9910 -14.9909 -14.9908 -14.9907 -8.1396 -8.1393 -7.8882 -7.8878 -7.8214 -7.8206 -4.2198 -4.2198 -3.8188 -3.8159 -3.8071 -3.8041 -2.3933 -2.3933 -0.7449 -0.7440 -0.6348 -0.6335 -0.2911 -0.2681 -0.2162 -0.1909 -0.1142 -0.1127 0.4323 0.4658 0.6460 0.6849 1.1127 1.1382 1.2243 1.2541 1.8476 1.8596 1.8623 1.8750 8.9831 8.9832 9.9957 9.9957 10.8089 10.8091 12.5210 12.5211 12.7969 12.7982 k = 0.3269 0.1135 0.0708 ( 8761 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4773 -24.4773 -18.4740 -18.4740 -18.4249 -18.4249 -16.9500 -16.9500 -14.9910 -14.9909 -14.9908 -14.9907 -8.1400 -8.1397 -7.8885 -7.8880 -7.8214 -7.8206 -4.2204 -4.2204 -3.8193 -3.8162 -3.8076 -3.8044 -2.3927 -2.3926 -0.7470 -0.7459 -0.6493 -0.6478 -0.2881 -0.2652 -0.2048 -0.1797 -0.0910 -0.0896 0.4133 0.4466 0.6428 0.6818 1.1142 1.1397 1.2314 1.2614 1.8472 1.8591 1.8630 1.8757 8.9001 8.9002 10.0005 10.0005 10.9198 10.9200 12.5141 12.5143 12.7658 12.7667 k = 0.3077 0.1068 0.0666 ( 8761 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4773 -24.4773 -18.4763 -18.4763 -18.4225 -18.4225 -16.9501 -16.9501 -14.9910 -14.9909 -14.9908 -14.9907 -8.1404 -8.1400 -7.8888 -7.8883 -7.8215 -7.8206 -4.2210 -4.2210 -3.8198 -3.8165 -3.8081 -3.8047 -2.3919 -2.3919 -0.7501 -0.7488 -0.6624 -0.6608 -0.2842 -0.2615 -0.1931 -0.1683 -0.0677 -0.0663 0.3948 0.4281 0.6368 0.6759 1.1174 1.1430 1.2379 1.2680 1.8468 1.8586 1.8636 1.8762 8.8203 8.8204 10.0040 10.0040 11.0318 11.0320 12.5094 12.5097 12.7338 12.7346 k = 0.2885 0.1001 0.0625 ( 8761 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4773 -24.4773 -18.4784 -18.4784 -18.4201 -18.4201 -16.9502 -16.9502 -14.9910 -14.9909 -14.9908 -14.9907 -8.1408 -8.1404 -7.8891 -7.8886 -7.8215 -7.8206 -4.2216 -4.2216 -3.8203 -3.8169 -3.8086 -3.8051 -2.3912 -2.3911 -0.7544 -0.7531 -0.6736 -0.6719 -0.2795 -0.2568 -0.1813 -0.1568 -0.0444 -0.0432 0.3770 0.4103 0.6283 0.6672 1.1221 1.1479 1.2438 1.2740 1.8466 1.8584 1.8640 1.8767 8.7442 8.7443 10.0065 10.0066 11.1438 11.1441 12.5070 12.5073 12.7021 12.7030 k = 0.2692 0.0934 0.0583 ( 8758 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4773 -24.4773 -18.4805 -18.4805 -18.4179 -18.4179 -16.9503 -16.9503 -14.9910 -14.9909 -14.9908 -14.9907 -8.1412 -8.1408 -7.8895 -7.8889 -7.8215 -7.8205 -4.2223 -4.2223 -3.8208 -3.8173 -3.8090 -3.8055 -2.3904 -2.3904 -0.7603 -0.7589 -0.6826 -0.6809 -0.2739 -0.2514 -0.1696 -0.1453 -0.0216 -0.0205 0.3602 0.3935 0.6175 0.6562 1.1282 1.1543 1.2491 1.2794 1.8465 1.8582 1.8643 1.8770 8.6719 8.6720 10.0085 10.0085 11.2548 11.2550 12.5067 12.5070 12.6717 12.6726 k = 0.2500 0.0868 0.0541 ( 8767 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4773 -24.4773 -18.4824 -18.4824 -18.4158 -18.4158 -16.9505 -16.9505 -14.9910 -14.9909 -14.9908 -14.9907 -8.1416 -8.1412 -7.8898 -7.8893 -7.8215 -7.8205 -4.2230 -4.2230 -3.8212 -3.8177 -3.8095 -3.8059 -2.3897 -2.3896 -0.7675 -0.7662 -0.6893 -0.6876 -0.2676 -0.2451 -0.1582 -0.1341 0.0006 0.0017 0.3446 0.3779 0.6045 0.6429 1.1354 1.1618 1.2536 1.2840 1.8465 1.8582 1.8645 1.8771 8.6036 8.6036 10.0100 10.0100 11.3637 11.3639 12.5086 12.5089 12.6434 12.6442 k = 0.2308 0.0801 0.0500 ( 8779 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4843 -18.4843 -18.4138 -18.4138 -16.9506 -16.9506 -14.9910 -14.9909 -14.9908 -14.9907 -8.1420 -8.1416 -7.8901 -7.8896 -7.8215 -7.8205 -4.2236 -4.2236 -3.8217 -3.8182 -3.8099 -3.8064 -2.3889 -2.3888 -0.7759 -0.7747 -0.6940 -0.6924 -0.2606 -0.2381 -0.1474 -0.1235 0.0219 0.0230 0.3305 0.3639 0.5896 0.6278 1.1435 1.1702 1.2574 1.2879 1.8466 1.8582 1.8646 1.8772 8.5395 8.5395 10.0112 10.0112 11.4694 11.4695 12.5126 12.5130 12.6182 12.6191 k = 0.2115 0.0734 0.0458 ( 8779 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4860 -18.4860 -18.4119 -18.4119 -16.9507 -16.9507 -14.9910 -14.9909 -14.9908 -14.9907 -8.1423 -8.1420 -7.8904 -7.8899 -7.8215 -7.8206 -4.2243 -4.2243 -3.8221 -3.8187 -3.8103 -3.8069 -2.3882 -2.3881 -0.7849 -0.7839 -0.6970 -0.6957 -0.2528 -0.2304 -0.1374 -0.1138 0.0423 0.0433 0.3181 0.3517 0.5732 0.6111 1.1523 1.1793 1.2605 1.2910 1.8468 1.8585 1.8645 1.8770 8.4797 8.4798 10.0123 10.0123 11.5703 11.5704 12.5188 12.5192 12.5972 12.5981 k = 0.1923 0.0667 0.0416 ( 8773 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4875 -18.4875 -18.4101 -18.4101 -16.9508 -16.9508 -14.9910 -14.9909 -14.9908 -14.9907 -8.1427 -8.1424 -7.8907 -7.8902 -7.8215 -7.8206 -4.2249 -4.2249 -3.8224 -3.8191 -3.8107 -3.8073 -2.3874 -2.3874 -0.7941 -0.7932 -0.6989 -0.6977 -0.2444 -0.2220 -0.1285 -0.1051 0.0615 0.0625 0.3079 0.3416 0.5554 0.5930 1.1614 1.1888 1.2629 1.2934 1.8472 1.8588 1.8642 1.8767 8.4246 8.4247 10.0131 10.0132 11.6648 11.6649 12.5270 12.5275 12.5816 12.5825 k = 0.1731 0.0601 0.0375 ( 8791 PWs) bands (ev): -94.3091 -94.3091 -94.3082 -94.3082 -24.4774 -24.4774 -18.4890 -18.4890 -18.4085 -18.4085 -16.9509 -16.9509 -14.9910 -14.9909 -14.9908 -14.9907 -8.1431 -8.1428 -7.8910 -7.8906 -7.8214 -7.8206 -4.2256 -4.2256 -3.8228 -3.8196 -3.8110 -3.8078 -2.3868 -2.3867 -0.8031 -0.8023 -0.7001 -0.6990 -0.2353 -0.2130 -0.1211 -0.0980 0.0794 0.0803 0.3001 0.3340 0.5366 0.5738 1.1708 1.1985 1.2645 1.2950 1.8477 1.8593 1.8639 1.8763 8.3742 8.3743 10.0139 10.0139 11.7511 11.7512 12.5372 12.5377 12.5729 12.5738 k = 0.1538 0.0534 0.0333 ( 8782 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4903 -18.4903 -18.4071 -18.4071 -16.9509 -16.9509 -14.9910 -14.9909 -14.9908 -14.9907 -8.1434 -8.1431 -7.8913 -7.8909 -7.8214 -7.8206 -4.2261 -4.2261 -3.8230 -3.8201 -3.8113 -3.8083 -2.3861 -2.3861 -0.8116 -0.8110 -0.7007 -0.6998 -0.2258 -0.2034 -0.1154 -0.0926 0.0957 0.0966 0.2950 0.3291 0.5169 0.5539 1.1803 1.2084 1.2653 1.2958 1.8483 1.8599 1.8634 1.8757 8.3287 8.3288 10.0146 10.0146 11.8271 11.8271 12.5493 12.5497 12.5722 12.5732 k = 0.1346 0.0467 0.0291 ( 8785 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4915 -18.4915 -18.4058 -18.4058 -16.9510 -16.9510 -14.9910 -14.9909 -14.9908 -14.9907 -8.1437 -8.1434 -7.8915 -7.8911 -7.8214 -7.8207 -4.2266 -4.2266 -3.8233 -3.8206 -3.8115 -3.8088 -2.3855 -2.3855 -0.8194 -0.8189 -0.7009 -0.7002 -0.2157 -0.1935 -0.1118 -0.0892 0.1105 0.1112 0.2929 0.3272 0.4967 0.5334 1.1897 1.2181 1.2653 1.2959 1.8490 1.8606 1.8627 1.8750 8.2882 8.2883 10.0152 10.0152 11.8909 11.8909 12.5631 12.5636 12.5805 12.5814 k = 0.1154 0.0400 0.0250 ( 8779 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4925 -18.4925 -18.4046 -18.4046 -16.9511 -16.9511 -14.9910 -14.9909 -14.9907 -14.9907 -8.1440 -8.1437 -7.8917 -7.8914 -7.8213 -7.8207 -4.2271 -4.2271 -3.8234 -3.8211 -3.8116 -3.8093 -2.3850 -2.3850 -0.8264 -0.8259 -0.7010 -0.7004 -0.2053 -0.1831 -0.1103 -0.0879 0.1236 0.1242 0.2939 0.3283 0.4761 0.5125 1.1989 1.2275 1.2646 1.2951 1.8498 1.8614 1.8620 1.8742 8.2529 8.2529 10.0158 10.0158 11.9416 11.9417 12.5786 12.5790 12.5975 12.5983 k = 0.0962 0.0334 0.0208 ( 8770 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4933 -18.4933 -18.4037 -18.4037 -16.9512 -16.9512 -14.9909 -14.9909 -14.9907 -14.9907 -8.1442 -8.1440 -7.8919 -7.8916 -7.8213 -7.8207 -4.2275 -4.2275 -3.8235 -3.8215 -3.8117 -3.8097 -2.3845 -2.3845 -0.8324 -0.8320 -0.7009 -0.7004 -0.1947 -0.1725 -0.1111 -0.0888 0.1348 0.1353 0.2980 0.3326 0.4554 0.4915 1.2077 1.2366 1.2631 1.2936 1.8507 1.8611 1.8623 1.8733 8.2228 8.2228 10.0163 10.0163 11.9795 11.9796 12.5955 12.5959 12.6214 12.6222 k = 0.0769 0.0267 0.0167 ( 8769 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4941 -18.4941 -18.4029 -18.4029 -16.9512 -16.9512 -14.9909 -14.9909 -14.9907 -14.9907 -8.1444 -8.1442 -7.8920 -7.8918 -7.8212 -7.8208 -4.2279 -4.2279 -3.8236 -3.8220 -3.8118 -3.8101 -2.3842 -2.3841 -0.8374 -0.8371 -0.7007 -0.7004 -0.1838 -0.1617 -0.1140 -0.0918 0.1441 0.1445 0.3052 0.3398 0.4348 0.4706 1.2161 1.2453 1.2608 1.2912 1.8516 1.8602 1.8633 1.8723 8.1980 8.1980 10.0167 10.0167 12.0061 12.0062 12.6137 12.6141 12.6492 12.6498 k = 0.0577 0.0200 0.0125 ( 8745 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4946 -18.4946 -18.4022 -18.4022 -16.9513 -16.9513 -14.9909 -14.9909 -14.9907 -14.9907 -8.1446 -8.1444 -7.8921 -7.8920 -7.8212 -7.8208 -4.2281 -4.2281 -3.8236 -3.8223 -3.8118 -3.8105 -2.3839 -2.3838 -0.8413 -0.8411 -0.7006 -0.7003 -0.1730 -0.1509 -0.1188 -0.0967 0.1514 0.1517 0.3151 0.3498 0.4145 0.4501 1.2240 1.2534 1.2577 1.2881 1.8527 1.8592 1.8643 1.8712 8.1786 8.1787 10.0170 10.0170 12.0237 12.0237 12.6330 12.6333 12.6767 12.6771 k = 0.0385 0.0133 0.0083 ( 8745 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4950 -18.4950 -18.4018 -18.4018 -16.9513 -16.9513 -14.9909 -14.9909 -14.9907 -14.9907 -8.1447 -8.1446 -7.8922 -7.8921 -7.8211 -7.8209 -4.2283 -4.2283 -3.8235 -3.8227 -3.8117 -3.8108 -2.3836 -2.3836 -0.8441 -0.8440 -0.7004 -0.7002 -0.1623 -0.1402 -0.1253 -0.1032 0.1567 0.1569 0.3274 0.3623 0.3948 0.4302 1.2313 1.2539 1.2609 1.2841 1.8537 1.8582 1.8655 1.8701 8.1648 8.1648 10.0173 10.0173 12.0345 12.0345 12.6531 12.6534 12.6998 12.7001 k = 0.0192 0.0067 0.0042 ( 8757 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4952 -18.4952 -18.4015 -18.4015 -16.9513 -16.9513 -14.9909 -14.9909 -14.9907 -14.9907 -8.1447 -8.1447 -7.8922 -7.8922 -7.8211 -7.8209 -4.2285 -4.2285 -3.8234 -3.8230 -3.8116 -3.8111 -2.3835 -2.3835 -0.8458 -0.8457 -0.7003 -0.7002 -0.1520 -0.1332 -0.1299 -0.1111 0.1599 0.1600 0.3419 0.3759 0.3769 0.4112 1.2380 1.2493 1.2678 1.2794 1.8548 1.8571 1.8666 1.8689 8.1565 8.1565 10.0174 10.0174 12.0402 12.0402 12.6739 12.6741 12.7149 12.7153 k = 0.0000 0.0000 0.0000 ( 8745 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4953 -18.4953 -18.4014 -18.4014 -16.9513 -16.9513 -14.9909 -14.9909 -14.9907 -14.9907 -8.1447 -8.1447 -7.8922 -7.8922 -7.8210 -7.8210 -4.2285 -4.2285 -3.8232 -3.8232 -3.8114 -3.8114 -2.3834 -2.3834 -0.8463 -0.8463 -0.7002 -0.7002 -0.1422 -0.1422 -0.1201 -0.1201 0.1610 0.1610 0.3582 0.3582 0.3933 0.3933 1.2440 1.2440 1.2740 1.2740 1.8559 1.8559 1.8678 1.8678 8.1537 8.1537 10.0175 10.0175 12.0420 12.0420 12.6951 12.6952 12.7035 12.7206 k = 0.0000 0.0000 0.0000 ( 8745 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4953 -18.4953 -18.4014 -18.4014 -16.9513 -16.9513 -14.9909 -14.9909 -14.9907 -14.9907 -8.1447 -8.1447 -7.8922 -7.8922 -7.8210 -7.8210 -4.2285 -4.2285 -3.8232 -3.8232 -3.8114 -3.8114 -2.3834 -2.3834 -0.8463 -0.8463 -0.7002 -0.7002 -0.1422 -0.1422 -0.1201 -0.1201 0.1610 0.1610 0.3582 0.3582 0.3933 0.3933 1.2440 1.2440 1.2740 1.2740 1.8559 1.8559 1.8678 1.8678 8.1537 8.1537 10.0175 10.0175 12.0420 12.0420 12.6950 12.6951 12.7206 12.7206 k = 0.0069-0.0088-0.0180 ( 8761 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4774 -24.4774 -18.4953 -18.4953 -18.4014 -18.4014 -16.9509 -16.9509 -14.9914 -14.9914 -14.9911 -14.9911 -8.1448 -8.1447 -7.8923 -7.8923 -7.8211 -7.8211 -4.2307 -4.2306 -3.8215 -3.8215 -3.8090 -3.8089 -2.3831 -2.3831 -0.8468 -0.8465 -0.6986 -0.6986 -0.1434 -0.1423 -0.1208 -0.1208 0.1600 0.1627 0.3581 0.3588 0.3935 0.3935 1.2427 1.2433 1.2730 1.2730 1.8550 1.8552 1.8669 1.8669 8.1560 8.1560 10.0166 10.0166 12.0417 12.0419 12.6828 12.6831 12.6963 12.6965 k = 0.0139-0.0176-0.0359 ( 8768 PWs) bands (ev): -94.3090 -94.3090 -94.3082 -94.3082 -24.4773 -24.4773 -18.4952 -18.4952 -18.4015 -18.4015 -16.9495 -16.9495 -14.9932 -14.9932 -14.9920 -14.9920 -8.1449 -8.1449 -7.8925 -7.8924 -7.8212 -7.8212 -4.2369 -4.2367 -3.8195 -3.8194 -3.7990 -3.7987 -2.3820 -2.3820 -0.8481 -0.8474 -0.6938 -0.6936 -0.1465 -0.1438 -0.1231 -0.1225 0.1596 0.1649 0.3585 0.3600 0.3943 0.3943 1.2392 1.2403 1.2702 1.2703 1.8523 1.8527 1.8646 1.8646 8.1630 8.1630 10.0139 10.0140 12.0410 12.0414 12.6635 12.6639 12.6998 12.7003 k = 0.0208-0.0264-0.0539 ( 8770 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4772 -24.4772 -18.4951 -18.4951 -18.4016 -18.4016 -16.9472 -16.9472 -14.9961 -14.9961 -14.9935 -14.9935 -8.1452 -8.1451 -7.8927 -7.8926 -7.8215 -7.8215 -4.2463 -4.2460 -3.8189 -3.8188 -3.7802 -3.7798 -2.3802 -2.3802 -0.8500 -0.8490 -0.6857 -0.6855 -0.1517 -0.1471 -0.1263 -0.1247 0.1597 0.1675 0.3594 0.3616 0.3956 0.3956 1.2330 1.2344 1.2660 1.2664 1.8476 1.8480 1.8611 1.8613 8.1747 8.1747 10.0095 10.0096 12.0400 12.0406 12.6438 12.6441 12.7058 12.7065 k = 0.0278-0.0352-0.0719 ( 8764 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4771 -24.4771 -18.4949 -18.4949 -18.4017 -18.4017 -16.9440 -16.9440 -15.0002 -15.0002 -14.9956 -14.9956 -8.1455 -8.1453 -7.8931 -7.8929 -7.8218 -7.8218 -4.2580 -4.2577 -3.8189 -3.8188 -3.7545 -3.7540 -2.3777 -2.3777 -0.8526 -0.8514 -0.6744 -0.6742 -0.1594 -0.1527 -0.1301 -0.1270 0.1603 0.1704 0.3607 0.3636 0.3976 0.3977 1.2233 1.2249 1.2613 1.2621 1.8407 1.8411 1.8569 1.8572 8.1909 8.1909 10.0035 10.0037 12.0387 12.0395 12.6243 12.6247 12.7140 12.7149 k = 0.0347-0.0440-0.0899 ( 8760 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4769 -24.4769 -18.4946 -18.4946 -18.4018 -18.4018 -16.9399 -16.9399 -15.0055 -15.0055 -14.9983 -14.9983 -8.1459 -8.1457 -7.8935 -7.8933 -7.8223 -7.8223 -4.2711 -4.2708 -3.8192 -3.8191 -3.7231 -3.7226 -2.3745 -2.3745 -0.8560 -0.8544 -0.6601 -0.6597 -0.1697 -0.1611 -0.1336 -0.1292 0.1613 0.1733 0.3622 0.3659 0.4005 0.4006 1.2097 1.2112 1.2564 1.2578 1.8317 1.8320 1.8520 1.8525 8.2116 8.2117 9.9960 9.9962 12.0372 12.0381 12.6053 12.6056 12.7242 12.7253 k = 0.0417-0.0528-0.1078 ( 8766 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4766 -24.4766 -18.4943 -18.4943 -18.4020 -18.4020 -16.9350 -16.9350 -15.0119 -15.0119 -15.0016 -15.0015 -8.1463 -8.1461 -7.8940 -7.8938 -7.8229 -7.8229 -4.2847 -4.2843 -3.8197 -3.8195 -3.6871 -3.6865 -2.3705 -2.3705 -0.8601 -0.8582 -0.6428 -0.6423 -0.1823 -0.1724 -0.1369 -0.1314 0.1625 0.1762 0.3640 0.3684 0.4044 0.4044 1.1918 1.1932 1.2515 1.2535 1.8208 1.8211 1.8466 1.8472 8.2368 8.2369 9.9871 9.9873 12.0355 12.0367 12.5866 12.5869 12.7362 12.7375 k = 0.0486-0.0616-0.1258 ( 8770 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4764 -24.4764 -18.4939 -18.4939 -18.4022 -18.4022 -16.9291 -16.9291 -15.0194 -15.0194 -15.0054 -15.0054 -8.1469 -8.1467 -7.8946 -7.8944 -7.8235 -7.8235 -4.2983 -4.2979 -3.8200 -3.8198 -3.6472 -3.6466 -2.3658 -2.3658 -0.8649 -0.8628 -0.6226 -0.6221 -0.1970 -0.1861 -0.1401 -0.1338 0.1636 0.1788 0.3659 0.3707 0.4095 0.4096 1.1699 1.1711 1.2465 1.2491 1.8084 1.8087 1.8404 1.8412 8.2664 8.2664 9.9769 9.9772 12.0339 12.0352 12.5684 12.5687 12.7499 12.7513 k = 0.0556-0.0704-0.1438 ( 8768 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4761 -24.4761 -18.4935 -18.4935 -18.4024 -18.4024 -16.9223 -16.9223 -15.0280 -15.0280 -15.0098 -15.0098 -8.1475 -8.1473 -7.8953 -7.8950 -7.8242 -7.8242 -4.3112 -4.3108 -3.8203 -3.8201 -3.6040 -3.6033 -2.3604 -2.3604 -0.8705 -0.8681 -0.5998 -0.5992 -0.2135 -0.2021 -0.1435 -0.1365 0.1647 0.1810 0.3677 0.3729 0.4159 0.4162 1.1439 1.1450 1.2413 1.2445 1.7949 1.7952 1.8336 1.8346 8.3001 8.3001 9.9656 9.9660 12.0323 12.0337 12.5507 12.5510 12.7647 12.7663 k = 0.0625-0.0792-0.1617 ( 8772 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4757 -24.4757 -18.4930 -18.4930 -18.4027 -18.4027 -16.9147 -16.9147 -15.0376 -15.0376 -15.0147 -15.0147 -8.1482 -8.1479 -7.8961 -7.8958 -7.8251 -7.8251 -4.3233 -4.3229 -3.8205 -3.8202 -3.5579 -3.5572 -2.3543 -2.3542 -0.8769 -0.8742 -0.5746 -0.5738 -0.2316 -0.2199 -0.1473 -0.1397 0.1655 0.1827 0.3695 0.3749 0.4237 0.4242 1.1140 1.1151 1.2358 1.2395 1.7806 1.7808 1.8260 1.8271 8.3379 8.3380 9.9535 9.9538 12.0308 12.0323 12.5334 12.5337 12.7806 12.7823 k = 0.0695-0.0880-0.1797 ( 8782 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4753 -24.4753 -18.4925 -18.4925 -18.4030 -18.4030 -16.9062 -16.9062 -15.0482 -15.0482 -15.0203 -15.0203 -8.1490 -8.1487 -7.8969 -7.8966 -7.8259 -7.8259 -4.3341 -4.3337 -3.8204 -3.8201 -3.5093 -3.5085 -2.3474 -2.3473 -0.8841 -0.8812 -0.5471 -0.5461 -0.2513 -0.2395 -0.1516 -0.1435 0.1660 0.1839 0.3710 0.3767 0.4329 0.4337 1.0805 1.0815 1.2300 1.2342 1.7658 1.7660 1.8177 1.8190 8.3797 8.3798 9.9405 9.9410 12.0296 12.0312 12.5167 12.5169 12.7970 12.7988 k = 0.0764-0.0968-0.1977 ( 8782 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4749 -24.4749 -18.4919 -18.4919 -18.4033 -18.4033 -16.8969 -16.8969 -15.0598 -15.0598 -15.0263 -15.0263 -8.1498 -8.1495 -7.8978 -7.8975 -7.8269 -7.8269 -4.3436 -4.3432 -3.8199 -3.8196 -3.4585 -3.4577 -2.3398 -2.3397 -0.8921 -0.8890 -0.5176 -0.5164 -0.2721 -0.2605 -0.1565 -0.1479 0.1661 0.1845 0.3725 0.3782 0.4436 0.4445 1.0435 1.0444 1.2239 1.2285 1.7508 1.7509 1.8088 1.8102 8.4253 8.4254 9.9271 9.9275 12.0285 12.0302 12.5005 12.5008 12.8137 12.8155 k = 0.0833-0.1056-0.2157 ( 8776 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4745 -24.4745 -18.4913 -18.4913 -18.4037 -18.4037 -16.8867 -16.8867 -15.0722 -15.0722 -15.0329 -15.0329 -8.1507 -8.1503 -7.8988 -7.8984 -7.8279 -7.8279 -4.3516 -4.3512 -3.8190 -3.8187 -3.4058 -3.4050 -2.3314 -2.3313 -0.9010 -0.8976 -0.4867 -0.4850 -0.2940 -0.2829 -0.1622 -0.1532 0.1659 0.1846 0.3737 0.3796 0.4555 0.4567 1.0034 1.0042 1.2175 1.2224 1.7357 1.7358 1.7991 1.8007 8.4746 8.4746 9.9132 9.9137 12.0277 12.0294 12.4850 12.4852 12.8302 12.8321 k = 0.0903-0.1144-0.2336 ( 8774 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4740 -24.4740 -18.4906 -18.4906 -18.4041 -18.4041 -16.8757 -16.8757 -15.0855 -15.0855 -15.0399 -15.0399 -8.1516 -8.1512 -7.8998 -7.8994 -7.8290 -7.8290 -4.3580 -4.3575 -3.8176 -3.8173 -3.3514 -3.3505 -2.3223 -2.3222 -0.9108 -0.9072 -0.4551 -0.4525 -0.3162 -0.3062 -0.1688 -0.1594 0.1655 0.1842 0.3748 0.3808 0.4687 0.4700 0.9606 0.9613 1.2109 1.2160 1.7207 1.7207 1.7889 1.7906 8.5273 8.5273 9.8992 9.8997 12.0270 12.0288 12.4701 12.4704 12.8462 12.8481 k = 0.0972-0.1232-0.2516 ( 8770 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4735 -24.4735 -18.4899 -18.4899 -18.4046 -18.4046 -16.8640 -16.8640 -15.0997 -15.0997 -15.0475 -15.0475 -8.1526 -8.1522 -7.9009 -7.9004 -7.8302 -7.8302 -4.3627 -4.3622 -3.8157 -3.8154 -3.2955 -3.2947 -2.3124 -2.3123 -0.9215 -0.9178 -0.4249 -0.4199 -0.3370 -0.3295 -0.1765 -0.1668 0.1649 0.1836 0.3757 0.3818 0.4829 0.4843 0.9155 0.9161 1.2040 1.2094 1.7058 1.7058 1.7780 1.7799 8.5834 8.5834 9.8850 9.8856 12.0266 12.0284 12.4561 12.4563 12.8611 12.8630 k = 0.1042-0.1320-0.2696 ( 8784 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4730 -24.4730 -18.4891 -18.4891 -18.4051 -18.4051 -16.8514 -16.8514 -15.1145 -15.1145 -15.0555 -15.0555 -8.1537 -8.1532 -7.9020 -7.9015 -7.8313 -7.8313 -4.3656 -4.3652 -3.8131 -3.8127 -3.2385 -3.2376 -2.3018 -2.3017 -0.9333 -0.9294 -0.4050 -0.3928 -0.3478 -0.3477 -0.1856 -0.1756 0.1643 0.1828 0.3764 0.3825 0.4981 0.4996 0.8689 0.8694 1.1970 1.2026 1.6912 1.6913 1.7666 1.7686 8.6425 8.6426 9.8710 9.8716 12.0263 12.0282 12.4428 12.4430 12.8745 12.8763 k = 0.1111-0.1408-0.2876 ( 8784 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4725 -24.4725 -18.4883 -18.4883 -18.4056 -18.4056 -16.8381 -16.8381 -15.1300 -15.1300 -15.0640 -15.0640 -8.1547 -8.1542 -7.9032 -7.9027 -7.8326 -7.8326 -4.3669 -4.3665 -3.8097 -3.8094 -3.1804 -3.1795 -2.2905 -2.2904 -0.9461 -0.9420 -0.4126 -0.3962 -0.3362 -0.3314 -0.1961 -0.1859 0.1640 0.1822 0.3767 0.3830 0.5141 0.5157 0.8214 0.8217 1.1899 1.1957 1.6769 1.6771 1.7547 1.7567 8.7047 8.7047 9.8573 9.8578 12.0260 12.0279 12.4305 12.4307 12.8859 12.8877 k = 0.1181-0.1496-0.3055 ( 8802 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4720 -24.4720 -18.4874 -18.4874 -18.4062 -18.4062 -16.8241 -16.8241 -15.1462 -15.1462 -15.0730 -15.0730 -8.1558 -8.1553 -7.9044 -7.9038 -7.8338 -7.8338 -4.3664 -4.3660 -3.8056 -3.8052 -3.1215 -3.1206 -2.2784 -2.2783 -0.9601 -0.9559 -0.4352 -0.4203 -0.3052 -0.3013 -0.2085 -0.1980 0.1643 0.1821 0.3766 0.3830 0.5308 0.5325 0.7738 0.7739 1.1828 1.1888 1.6629 1.6632 1.7423 1.7444 8.7696 8.7697 9.8439 9.8445 12.0256 12.0275 12.4192 12.4194 12.8948 12.8966 k = 0.1250-0.1584-0.3235 ( 8814 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4714 -24.4714 -18.4865 -18.4865 -18.4068 -18.4068 -16.8095 -16.8095 -15.1628 -15.1628 -15.0823 -15.0823 -8.1569 -8.1564 -7.9056 -7.9050 -7.8351 -7.8351 -4.3641 -4.3637 -3.8005 -3.8001 -3.0620 -3.0611 -2.2656 -2.2655 -0.9754 -0.9710 -0.4619 -0.4480 -0.2723 -0.2687 -0.2227 -0.2122 0.1657 0.1829 0.3758 0.3824 0.5480 0.5497 0.7269 0.7271 1.1759 1.1820 1.6493 1.6496 1.7294 1.7317 8.8372 8.8372 9.8309 9.8316 12.0249 12.0268 12.4089 12.4091 12.9008 12.9025 k = 0.1320-0.1672-0.3415 ( 8814 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4708 -24.4708 -18.4856 -18.4856 -18.4075 -18.4075 -16.7941 -16.7941 -15.1800 -15.1800 -15.0921 -15.0921 -8.1580 -8.1575 -7.9068 -7.9062 -7.8364 -7.8364 -4.3601 -4.3597 -3.7945 -3.7941 -3.0023 -3.0013 -2.2521 -2.2520 -0.9921 -0.9875 -0.4903 -0.4772 -0.2436 -0.2371 -0.2362 -0.2285 0.1689 0.1854 0.3741 0.3809 0.5656 0.5673 0.6817 0.6823 1.1692 1.1755 1.6360 1.6364 1.7162 1.7186 8.9071 8.9072 9.8186 9.8193 12.0238 12.0257 12.3997 12.3999 12.9034 12.9050 k = 0.1389-0.1760-0.3594 ( 8816 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4703 -24.4703 -18.4846 -18.4846 -18.4082 -18.4082 -16.7782 -16.7782 -15.1975 -15.1975 -15.1022 -15.1022 -8.1592 -8.1586 -7.9081 -7.9074 -7.8377 -7.8377 -4.3544 -4.3540 -3.7875 -3.7871 -2.9425 -2.9415 -2.2379 -2.2377 -1.0102 -1.0055 -0.5198 -0.5073 -0.2589 -0.2478 -0.2106 -0.2072 0.1745 0.1902 0.3711 0.3783 0.5833 0.5849 0.6397 0.6406 1.1629 1.1693 1.6230 1.6235 1.7026 1.7051 8.9793 8.9794 9.8070 9.8076 12.0220 12.0239 12.3917 12.3918 12.9024 12.9039 k = 0.1459-0.1848-0.3774 ( 8814 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4697 -24.4697 -18.4836 -18.4836 -18.4090 -18.4090 -16.7617 -16.7617 -15.2153 -15.2153 -15.1127 -15.1127 -8.1603 -8.1597 -7.9093 -7.9086 -7.8390 -7.8390 -4.3470 -4.3466 -3.7794 -3.7789 -2.8830 -2.8820 -2.2230 -2.2228 -1.0301 -1.0252 -0.5499 -0.5379 -0.2803 -0.2693 -0.1851 -0.1812 0.1833 0.1981 0.3665 0.3740 0.5960 0.5978 0.6063 0.6083 1.1572 1.1637 1.6104 1.6110 1.6886 1.6913 9.0535 9.0536 9.7961 9.7968 12.0193 12.0212 12.3849 12.3850 12.8975 12.8988 k = 0.1528-0.1936-0.3954 ( 8818 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4691 -24.4691 -18.4825 -18.4825 -18.4098 -18.4098 -16.7446 -16.7446 -15.2334 -15.2334 -15.1235 -15.1235 -8.1614 -8.1608 -7.9106 -7.9098 -7.8404 -7.8404 -4.3379 -4.3375 -3.7701 -3.7697 -2.8240 -2.8230 -2.2074 -2.2072 -1.0517 -1.0467 -0.5806 -0.5691 -0.3044 -0.2934 -0.1643 -0.1597 0.1961 0.2099 0.3597 0.3677 0.5669 0.5696 0.6197 0.6222 1.1521 1.1587 1.5981 1.5987 1.6744 1.6772 9.1296 9.1297 9.7861 9.7867 12.0154 12.0173 12.3793 12.3795 12.8887 12.8900 k = 0.1597-0.2024-0.4134 ( 8812 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4685 -24.4685 -18.4814 -18.4814 -18.4107 -18.4107 -16.7272 -16.7272 -15.2515 -15.2515 -15.1347 -15.1347 -8.1626 -8.1619 -7.9118 -7.9110 -7.8417 -7.8417 -4.3272 -4.3268 -3.7597 -3.7593 -2.7660 -2.7651 -2.1912 -2.1910 -1.0753 -1.0701 -0.6117 -0.6007 -0.3309 -0.3200 -0.1490 -0.1437 0.2133 0.2261 0.3506 0.3589 0.5400 0.5431 0.6372 0.6397 1.1478 1.1546 1.5860 1.5868 1.6600 1.6630 9.2073 9.2074 9.7769 9.7776 12.0099 12.0118 12.3751 12.3752 12.8764 12.8775 k = 0.1667-0.2112-0.4313 ( 8820 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4679 -24.4679 -18.4803 -18.4803 -18.4116 -18.4116 -16.7093 -16.7093 -15.2698 -15.2698 -15.1461 -15.1461 -8.1636 -8.1629 -7.9130 -7.9122 -7.8430 -7.8430 -4.3149 -4.3145 -3.7481 -3.7476 -2.7095 -2.7085 -2.1743 -2.1741 -1.1010 -1.0956 -0.6430 -0.6325 -0.3593 -0.3485 -0.1395 -0.1335 0.2348 0.2467 0.3393 0.3477 0.5192 0.5227 0.6544 0.6570 1.1445 1.1515 1.5743 1.5751 1.6455 1.6486 9.2865 9.2865 9.7686 9.7693 12.0025 12.0043 12.3721 12.3722 12.8609 12.8618 k = 0.1736-0.2200-0.4493 ( 8822 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4674 -24.4674 -18.4791 -18.4791 -18.4125 -18.4125 -16.6910 -16.6910 -15.2879 -15.2879 -15.1578 -15.1578 -8.1647 -8.1640 -7.9142 -7.9134 -7.8444 -7.8443 -4.3011 -4.3007 -3.7351 -3.7347 -2.6548 -2.6539 -2.1569 -2.1566 -1.1287 -1.1231 -0.6746 -0.6644 -0.3893 -0.3786 -0.1353 -0.1288 0.2599 0.2713 0.3265 0.3349 0.5042 0.5077 0.6712 0.6738 1.1424 1.1495 1.5629 1.5638 1.6309 1.6342 9.3668 9.3669 9.7613 9.7620 11.9928 11.9946 12.3705 12.3706 12.8429 12.8437 k = 0.1806-0.2288-0.4673 ( 8824 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4668 -24.4668 -18.4779 -18.4779 -18.4135 -18.4135 -16.6726 -16.6726 -15.3060 -15.3059 -15.1697 -15.1697 -8.1658 -8.1650 -7.9153 -7.9145 -7.8457 -7.8456 -4.2858 -4.2854 -3.7209 -3.7204 -2.6026 -2.6018 -2.1389 -2.1386 -1.1586 -1.1527 -0.7062 -0.6965 -0.4201 -0.4096 -0.1361 -0.1291 0.2872 0.2981 0.3140 0.3221 0.4940 0.4974 0.6873 0.6900 1.1416 1.1489 1.5517 1.5527 1.6162 1.6198 9.4482 9.4483 9.7550 9.7557 11.9805 11.9822 12.3702 12.3703 12.8234 12.8240 k = 0.1875-0.2376-0.4852 ( 8824 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4662 -24.4662 -18.4767 -18.4767 -18.4146 -18.4146 -16.6539 -16.6539 -15.3237 -15.3237 -15.1819 -15.1819 -8.1667 -8.1660 -7.9165 -7.9156 -7.8469 -7.8469 -4.2690 -4.2687 -3.7054 -3.7049 -2.5536 -2.5529 -2.1203 -2.1201 -1.1902 -1.1842 -0.7378 -0.7284 -0.4509 -0.4405 -0.1411 -0.1338 0.2988 0.3023 0.3237 0.3301 0.4873 0.4906 0.7027 0.7055 1.1421 1.1498 1.5409 1.5420 1.6016 1.6055 9.5304 9.5305 9.7497 9.7503 11.9652 11.9668 12.3712 12.3713 12.8031 12.8036 k = 0.1945-0.2464-0.5032 ( 8826 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4657 -24.4657 -18.4754 -18.4754 -18.4157 -18.4157 -16.6351 -16.6351 -15.3411 -15.3411 -15.1942 -15.1942 -8.1677 -8.1669 -7.9175 -7.9167 -7.8482 -7.8482 -4.2510 -4.2506 -3.6885 -3.6879 -2.5086 -2.5080 -2.1014 -2.1011 -1.2232 -1.2170 -0.7693 -0.7603 -0.4810 -0.4708 -0.1495 -0.1421 0.2870 0.2925 0.3522 0.3608 0.4831 0.4862 0.7173 0.7203 1.1442 1.1522 1.5304 1.5315 1.5872 1.5913 9.6132 9.6133 9.7453 9.7460 11.9466 11.9481 12.3735 12.3736 12.7829 12.7833 k = 0.2014-0.2552-0.5212 ( 8830 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4652 -24.4652 -18.4741 -18.4741 -18.4168 -18.4168 -16.6163 -16.6163 -15.3580 -15.3580 -15.2068 -15.2067 -8.1686 -8.1678 -7.9186 -7.9177 -7.8494 -7.8494 -4.2316 -4.2312 -3.6702 -3.6696 -2.4687 -2.4682 -2.0820 -2.0817 -1.2569 -1.2504 -0.8006 -0.7919 -0.5097 -0.4996 -0.1608 -0.1534 0.2764 0.2818 0.3830 0.3921 0.4808 0.4836 0.7311 0.7342 1.1480 1.1563 1.5202 1.5214 1.5730 1.5774 9.6962 9.6963 9.7419 9.7426 11.9245 11.9260 12.3771 12.3772 12.7637 12.7640 k = 0.2084-0.2640-0.5392 ( 8844 PWs) bands (ev): -94.3089 -94.3089 -94.3085 -94.3085 -24.4647 -24.4647 -18.4727 -18.4727 -18.4180 -18.4180 -16.5976 -16.5976 -15.3743 -15.3743 -15.2194 -15.2194 -8.1695 -8.1686 -7.9196 -7.9186 -7.8506 -7.8506 -4.2110 -4.2107 -3.6505 -3.6500 -2.4349 -2.4345 -2.0622 -2.0619 -1.2903 -1.2835 -0.8316 -0.8232 -0.5364 -0.5264 -0.1745 -0.1672 0.2674 0.2726 0.4133 0.4227 0.4797 0.4822 0.7440 0.7472 1.1533 1.1621 1.5102 1.5116 1.5591 1.5639 9.7394 9.7400 9.7794 9.7794 11.8991 11.9005 12.3820 12.3820 12.7462 12.7463 k = 0.2153-0.2728-0.5571 ( 8842 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4642 -24.4642 -18.4714 -18.4714 -18.4192 -18.4192 -16.5791 -16.5791 -15.3899 -15.3899 -15.2322 -15.2322 -8.1703 -8.1694 -7.9205 -7.9196 -7.8518 -7.8518 -4.1892 -4.1889 -3.6295 -3.6289 -2.4085 -2.4083 -2.0422 -2.0419 -1.3220 -1.3149 -0.8622 -0.8541 -0.5606 -0.5508 -0.1901 -0.1830 0.2602 0.2651 0.4416 0.4515 0.4801 0.4821 0.7561 0.7594 1.1604 1.1695 1.5007 1.5021 1.5457 1.5508 9.7379 9.7385 9.8622 9.8623 11.8703 11.8716 12.3880 12.3881 12.7307 12.7308 k = 0.2223-0.2816-0.5751 ( 8838 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4638 -24.4638 -18.4699 -18.4699 -18.4205 -18.4205 -16.5609 -16.5609 -15.4047 -15.4047 -15.2450 -15.2450 -8.1710 -8.1701 -7.9214 -7.9204 -7.8529 -7.8529 -4.1664 -4.1661 -3.6070 -3.6064 -2.3909 -2.3908 -2.0219 -2.0216 -1.3507 -1.3432 -0.8922 -0.8844 -0.5822 -0.5725 -0.2075 -0.2005 0.2546 0.2592 0.4645 0.4739 0.4845 0.4871 0.7675 0.7709 1.1690 1.1787 1.4914 1.4929 1.5328 1.5383 9.7372 9.7378 9.9445 9.9446 11.8386 11.8398 12.3952 12.3952 12.7176 12.7176 k = 0.2292-0.2904-0.5931 ( 8842 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4633 -24.4633 -18.4685 -18.4685 -18.4218 -18.4218 -16.5431 -16.5431 -15.4185 -15.4185 -15.2580 -15.2579 -8.1717 -8.1708 -7.9222 -7.9212 -7.8540 -7.8540 -4.1427 -4.1424 -3.5832 -3.5826 -2.3835 -2.3832 -2.0016 -2.0013 -1.3748 -1.3670 -0.9217 -0.9141 -0.6010 -0.5913 -0.2262 -0.2194 0.2506 0.2550 0.4732 0.4784 0.5010 0.5078 0.7782 0.7816 1.1793 1.1894 1.4825 1.4841 1.5206 1.5265 9.7374 9.7380 10.0259 10.0260 11.8043 11.8055 12.4034 12.4034 12.7068 12.7069 k = 0.2361-0.2992-0.6111 ( 8840 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4629 -24.4629 -18.4670 -18.4670 -18.4232 -18.4232 -16.5259 -16.5259 -15.4312 -15.4311 -15.2709 -15.2709 -8.1723 -8.1714 -7.9229 -7.9219 -7.8551 -7.8550 -4.1181 -4.1178 -3.5580 -3.5574 -2.3870 -2.3865 -1.9812 -1.9809 -1.3931 -1.3850 -0.9505 -0.9431 -0.6169 -0.6072 -0.2461 -0.2395 0.2481 0.2523 0.4751 0.4791 0.5219 0.5298 0.7883 0.7917 1.1910 1.2015 1.4739 1.4756 1.5091 1.5155 9.7383 9.7389 10.1060 10.1061 11.7682 11.7692 12.4125 12.4126 12.6983 12.6985 k = 0.2431-0.3080-0.6290 ( 8834 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4626 -24.4626 -18.4656 -18.4656 -18.4246 -18.4246 -16.5093 -16.5093 -15.4426 -15.4426 -15.2839 -15.2839 -8.1729 -8.1719 -7.9236 -7.9226 -7.8561 -7.8560 -4.0928 -4.0925 -3.5314 -3.5307 -2.4017 -2.4011 -1.9609 -1.9606 -1.4049 -1.3965 -0.9784 -0.9713 -0.6299 -0.6202 -0.2670 -0.2607 0.2471 0.2510 0.4758 0.4793 0.5410 0.5494 0.7977 0.8010 1.2040 1.2150 1.4656 1.4674 1.4984 1.5052 9.7400 9.7406 10.1843 10.1845 11.7309 11.7318 12.4224 12.4225 12.6920 12.6922 k = 0.2500-0.3168-0.6470 ( 8826 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4640 -18.4640 -18.4260 -18.4260 -16.4936 -16.4936 -15.4527 -15.4527 -15.2969 -15.2968 -8.1733 -8.1724 -7.9242 -7.9232 -7.8570 -7.8570 -4.0669 -4.0666 -3.5034 -3.5028 -2.4275 -2.4267 -1.9408 -1.9405 -1.4102 -1.4015 -1.0055 -0.9985 -0.6401 -0.6304 -0.2887 -0.2826 0.2473 0.2510 0.4761 0.4793 0.5575 0.5660 0.8064 0.8096 1.2183 1.2295 1.4577 1.4596 1.4886 1.4959 9.7424 9.7430 10.2605 10.2606 11.6932 11.6941 12.4329 12.4331 12.6875 12.6877 k = 0.2570-0.3256-0.6650 ( 8816 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4619 -24.4619 -18.4625 -18.4625 -18.4275 -18.4275 -16.4788 -16.4788 -15.4614 -15.4613 -15.3098 -15.3098 -8.1738 -8.1728 -7.9247 -7.9237 -7.8579 -7.8578 -4.0406 -4.0403 -3.4741 -3.4735 -2.4633 -2.4624 -1.9211 -1.9207 -1.4094 -1.4005 -1.0315 -1.0247 -0.6477 -0.6379 -0.3112 -0.3053 0.2487 0.2522 0.4762 0.4792 0.5711 0.5795 0.8143 0.8174 1.2336 1.2451 1.4501 1.4522 1.4798 1.4875 9.7454 9.7460 10.3337 10.3339 11.6560 11.6568 12.4439 12.4441 12.6845 12.6847 k = 0.2639-0.3344-0.6829 ( 8814 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4616 -24.4616 -18.4609 -18.4609 -18.4290 -18.4290 -16.4650 -16.4650 -15.4684 -15.4684 -15.3227 -15.3226 -8.1741 -8.1732 -7.9252 -7.9242 -7.8587 -7.8586 -4.0140 -4.0138 -3.4436 -3.4429 -2.5078 -2.5069 -1.9018 -1.9014 -1.4035 -1.3945 -1.0563 -1.0497 -0.6527 -0.6428 -0.3341 -0.3284 0.2512 0.2545 0.4761 0.4789 0.5820 0.5901 0.8213 0.8242 1.2498 1.2613 1.4429 1.4451 1.4720 1.4801 9.7490 9.7495 10.4034 10.4036 11.6202 11.6210 12.4551 12.4554 12.6825 12.6828 k = 0.2709-0.3432-0.7009 ( 8818 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4613 -24.4613 -18.4594 -18.4593 -18.4305 -18.4305 -16.4524 -16.4524 -15.4738 -15.4738 -15.3354 -15.3354 -8.1744 -8.1735 -7.9256 -7.9246 -7.8594 -7.8594 -3.9875 -3.9872 -3.4117 -3.4110 -2.5593 -2.5584 -1.8832 -1.8828 -1.3937 -1.3846 -1.0800 -1.0735 -0.6553 -0.6454 -0.3574 -0.3518 0.2548 0.2579 0.4758 0.4784 0.5901 0.5979 0.8273 0.8300 1.2666 1.2780 1.4360 1.4384 1.4653 1.4735 9.7530 9.7535 10.4687 10.4689 11.5869 11.5877 12.4661 12.4666 12.6814 12.6817 k = 0.2778-0.3520-0.7189 ( 8826 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4611 -24.4611 -18.4578 -18.4578 -18.4321 -18.4321 -16.4411 -16.4411 -15.4774 -15.4774 -15.3481 -15.3481 -8.1747 -8.1737 -7.9260 -7.9249 -7.8601 -7.8601 -3.9611 -3.9609 -3.3786 -3.3779 -2.6162 -2.6153 -1.8653 -1.8650 -1.3813 -1.3721 -1.1022 -1.0958 -0.6557 -0.6457 -0.3809 -0.3755 0.2593 0.2622 0.4754 0.4777 0.5956 0.6030 0.8323 0.8347 1.2837 1.2949 1.4295 1.4320 1.4596 1.4680 9.7574 9.7579 10.5287 10.5288 11.5572 11.5579 12.4767 12.4775 12.6807 12.6810 k = 0.2848-0.3608-0.7369 ( 8826 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4609 -24.4609 -18.4561 -18.4561 -18.4336 -18.4336 -16.4311 -16.4311 -15.4792 -15.4791 -15.3607 -15.3606 -8.1749 -8.1739 -7.9262 -7.9252 -7.8607 -7.8607 -3.9354 -3.9352 -3.3443 -3.3436 -2.6768 -2.6759 -1.8484 -1.8481 -1.3674 -1.3581 -1.1230 -1.1167 -0.6540 -0.6439 -0.4045 -0.3992 0.2647 0.2674 0.4749 0.4770 0.5988 0.6057 0.8362 0.8383 1.3009 1.3115 1.4234 1.4259 1.4551 1.4634 9.7621 9.7626 10.5822 10.5823 11.5322 11.5329 12.4864 12.4875 12.6801 12.6804 k = 0.2917-0.3696-0.7548 ( 8826 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4607 -24.4607 -18.4545 -18.4545 -18.4352 -18.4352 -16.4225 -16.4225 -15.4791 -15.4791 -15.3730 -15.3730 -8.1750 -8.1740 -7.9265 -7.9254 -7.8612 -7.8612 -3.9105 -3.9104 -3.3089 -3.3081 -2.7396 -2.7387 -1.8327 -1.8324 -1.3527 -1.3435 -1.1422 -1.1360 -0.6504 -0.6403 -0.4280 -0.4228 0.2708 0.2732 0.4744 0.4761 0.5997 0.6060 0.8391 0.8409 1.3176 1.3274 1.4177 1.4202 1.4520 1.4598 9.7671 9.7675 10.6281 10.6282 11.5132 11.5138 12.4947 12.4963 12.6793 12.6796 k = 0.2987-0.3784-0.7728 ( 8828 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4606 -24.4606 -18.4529 -18.4529 -18.4368 -18.4368 -16.4153 -16.4153 -15.4772 -15.4772 -15.3852 -15.3852 -8.1751 -8.1741 -7.9266 -7.9255 -7.8617 -7.8617 -3.8872 -3.8870 -3.2724 -3.2716 -2.8032 -2.8023 -1.8183 -1.8180 -1.3381 -1.3289 -1.1598 -1.1536 -0.6451 -0.6350 -0.4513 -0.4462 0.2775 0.2797 0.4738 0.4753 0.5984 0.6041 0.8412 0.8427 1.3334 1.3419 1.4123 1.4149 1.4506 1.4574 9.7723 9.7727 10.6653 10.6654 11.5012 11.5018 12.5010 12.5033 12.6780 12.6783 k = 0.3056-0.3872-0.7908 ( 8824 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4605 -24.4605 -18.4513 -18.4513 -18.4384 -18.4384 -16.4095 -16.4095 -15.4734 -15.4734 -15.3972 -15.3972 -8.1751 -8.1741 -7.9267 -7.9256 -7.8621 -7.8620 -3.8658 -3.8657 -3.2348 -3.2340 -2.8662 -2.8653 -1.8055 -1.8052 -1.3240 -1.3149 -1.1758 -1.1695 -0.6383 -0.6283 -0.4742 -0.4690 0.2846 0.2865 0.4734 0.4746 0.5952 0.6002 0.8425 0.8438 1.3474 1.3541 1.4074 1.4099 1.4515 1.4567 9.7776 9.7780 10.6931 10.6932 11.4969 11.4974 12.5050 12.5080 12.6761 12.6764 k = 0.3126-0.3960-0.8087 ( 8826 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4604 -24.4604 -18.4496 -18.4496 -18.4400 -18.4400 -16.4052 -16.4052 -15.4679 -15.4679 -15.4090 -15.4090 -8.1751 -8.1741 -7.9268 -7.9257 -7.8623 -7.8623 -3.8473 -3.8472 -3.1963 -3.1954 -2.9271 -2.9262 -1.7942 -1.7940 -1.3109 -1.3018 -1.1900 -1.1837 -0.6303 -0.6204 -0.4964 -0.4913 0.2919 0.2935 0.4732 0.4741 0.5900 0.5944 0.8435 0.8443 1.3586 1.3629 1.4030 1.4052 1.4553 1.4582 9.7829 9.7833 10.7111 10.7112 11.5004 11.5009 12.5064 12.5102 12.6734 12.6736 k = 0.3195-0.4048-0.8267 ( 8824 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4480 -18.4480 -18.4416 -18.4416 -16.4022 -16.4022 -15.4607 -15.4607 -15.4206 -15.4206 -8.1751 -8.1741 -7.9268 -7.9257 -7.8626 -7.8625 -3.8326 -3.8325 -3.1569 -3.1560 -2.9844 -2.9836 -1.7847 -1.7845 -1.2988 -1.2899 -1.2025 -1.1962 -0.6212 -0.6115 -0.5178 -0.5127 0.2991 0.3004 0.4735 0.4740 0.5830 0.5867 0.8441 0.8446 1.3661 1.3680 1.3992 1.4007 1.4623 1.4625 9.7882 9.7885 10.7199 10.7200 11.5113 11.5117 12.5052 12.5098 12.6698 12.6700 k = 0.3264-0.4136-0.8447 ( 8838 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4464 -18.4464 -18.4432 -18.4432 -16.4005 -16.4005 -15.4519 -15.4519 -15.4319 -15.4318 -8.1750 -8.1741 -7.9267 -7.9256 -7.8627 -7.8627 -3.8227 -3.8227 -3.1167 -3.1157 -3.0367 -3.0359 -1.7771 -1.7769 -1.2880 -1.2792 -1.2135 -1.2072 -0.6115 -0.6019 -0.5382 -0.5330 0.3061 0.3070 0.4744 0.4745 0.5742 0.5772 0.8447 0.8448 1.3693 1.3694 1.3958 1.3965 1.4699 1.4723 9.7934 9.7937 10.7204 10.7204 11.5284 11.5287 12.5020 12.5073 12.6652 12.6653 k = 0.3334-0.4224-0.8627 ( 8836 PWs) bands (ev): -94.3087 -94.3087 -94.3087 -94.3087 -24.4603 -24.4603 -18.4449 -18.4449 -18.4448 -18.4448 -16.4000 -16.4000 -15.4429 -15.4428 -15.4417 -15.4417 -8.1749 -8.1740 -7.9266 -7.9256 -7.8627 -7.8627 -3.8190 -3.8190 -3.0840 -3.0826 -3.0739 -3.0736 -1.7713 -1.7712 -1.2784 -1.2698 -1.2232 -1.2167 -0.6012 -0.5919 -0.5573 -0.5520 0.3124 0.3130 0.4759 0.4762 0.5637 0.5661 0.8450 0.8452 1.3676 1.3689 1.3925 1.3927 1.4801 1.4842 9.7985 9.7988 10.7139 10.7139 11.5501 11.5503 12.4972 12.5031 12.6595 12.6596 k = 0.3403-0.4312-0.8806 ( 8824 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4464 -18.4464 -18.4432 -18.4432 -16.4006 -16.4006 -15.4535 -15.4535 -15.4303 -15.4302 -8.1748 -8.1739 -7.9265 -7.9255 -7.8627 -7.8627 -3.8226 -3.8225 -3.1202 -3.1193 -3.0336 -3.0327 -1.7674 -1.7673 -1.2702 -1.2618 -1.2316 -1.2251 -0.5913 -0.5823 -0.5742 -0.5687 0.3178 0.3180 0.4783 0.4790 0.5517 0.5536 0.8454 0.8459 1.3637 1.3657 1.3885 1.3894 1.4920 1.4973 9.8033 9.8036 10.7020 10.7020 11.5748 11.5750 12.4916 12.4980 12.6528 12.6529 k = 0.3473-0.4400-0.8986 ( 8822 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4479 -18.4479 -18.4417 -18.4416 -16.4021 -16.4021 -15.4639 -15.4639 -15.4177 -15.4177 -8.1747 -8.1737 -7.9264 -7.9253 -7.8625 -7.8625 -3.8343 -3.8342 -3.1485 -3.1477 -2.9914 -2.9905 -1.7652 -1.7651 -1.2634 -1.2551 -1.2391 -1.2326 -0.5930 -0.5870 -0.5775 -0.5693 0.3218 0.3219 0.4819 0.4830 0.5384 0.5397 0.8460 0.8467 1.3580 1.3607 1.3848 1.3859 1.5049 1.5108 9.8080 9.8083 10.6860 10.6860 11.6009 11.6010 12.4858 12.4925 12.6451 12.6452 k = 0.6527-0.2665-0.7904 ( 8822 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4603 -24.4603 -18.4479 -18.4479 -18.4417 -18.4416 -16.4021 -16.4021 -15.4639 -15.4639 -15.4177 -15.4177 -8.1747 -8.1737 -7.9264 -7.9253 -7.8625 -7.8625 -3.8343 -3.8342 -3.1485 -3.1477 -2.9914 -2.9904 -1.7652 -1.7651 -1.2634 -1.2551 -1.2391 -1.2326 -0.5930 -0.5870 -0.5775 -0.5693 0.3218 0.3219 0.4819 0.4830 0.5384 0.5397 0.8460 0.8467 1.3580 1.3607 1.3848 1.3859 1.5049 1.5108 9.8080 9.8083 10.6860 10.6860 11.6009 11.6010 12.4858 12.4925 12.6451 12.6452 k = 0.6458-0.2465-0.7904 ( 8822 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4604 -24.4604 -18.4495 -18.4495 -18.4401 -18.4401 -16.4045 -16.4045 -15.4740 -15.4739 -15.4042 -15.4041 -8.1745 -8.1736 -7.9262 -7.9252 -7.8623 -7.8623 -3.8542 -3.8541 -3.1674 -3.1666 -2.9487 -2.9477 -1.7646 -1.7645 -1.2586 -1.2501 -1.2453 -1.2391 -0.6062 -0.6003 -0.5675 -0.5592 0.3243 0.3246 0.4869 0.4883 0.5238 0.5247 0.8468 0.8478 1.3510 1.3542 1.3812 1.3823 1.5182 1.5243 9.8123 9.8126 10.6673 10.6673 11.6270 11.6271 12.4803 12.4873 12.6366 12.6366 k = 0.6388-0.2265-0.7904 ( 8836 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4604 -24.4604 -18.4510 -18.4510 -18.4386 -18.4386 -16.4077 -16.4077 -15.4836 -15.4836 -15.3899 -15.3899 -8.1744 -8.1735 -7.9260 -7.9250 -7.8621 -7.8621 -3.8818 -3.8817 -3.1771 -3.1764 -2.9056 -2.9046 -1.7654 -1.7653 -1.2586 -1.2503 -1.2477 -1.2416 -0.6178 -0.6119 -0.5569 -0.5489 0.3253 0.3258 0.4928 0.4947 0.5084 0.5090 0.8479 0.8490 1.3428 1.3466 1.3778 1.3787 1.5313 1.5375 9.8164 9.8167 10.6467 10.6468 11.6522 11.6522 12.4754 12.4826 12.6272 12.6273 k = 0.6319-0.2065-0.7904 ( 8846 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4605 -24.4605 -18.4524 -18.4524 -18.4372 -18.4372 -16.4114 -16.4114 -15.4929 -15.4929 -15.3750 -15.3750 -8.1742 -8.1733 -7.9258 -7.9248 -7.8617 -7.8617 -3.9157 -3.9157 -3.1789 -3.1782 -2.8622 -2.8612 -1.7675 -1.7672 -1.2646 -1.2567 -1.2455 -1.2391 -0.6273 -0.6213 -0.5464 -0.5387 0.3249 0.3256 0.4901 0.4911 0.5023 0.5032 0.8491 0.8504 1.3338 1.3379 1.3745 1.3753 1.5441 1.5502 9.8201 9.8204 10.6251 10.6252 11.6755 11.6755 12.4714 12.4787 12.6172 12.6172 k = 0.6250-0.1865-0.7904 ( 8844 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4606 -24.4606 -18.4539 -18.4539 -18.4357 -18.4357 -16.4156 -16.4156 -15.5019 -15.5019 -15.3598 -15.3598 -8.1740 -8.1732 -7.9256 -7.9246 -7.8613 -7.8613 -3.9546 -3.9546 -3.1742 -3.1735 -2.8188 -2.8177 -1.7705 -1.7702 -1.2727 -1.2650 -1.2427 -1.2364 -0.6342 -0.6282 -0.5362 -0.5288 0.3232 0.3239 0.4732 0.4740 0.5101 0.5116 0.8505 0.8519 1.3240 1.3283 1.3715 1.3721 1.5564 1.5623 9.8235 9.8238 10.6031 10.6031 11.6966 11.6966 12.4684 12.4757 12.6065 12.6066 k = 0.6180-0.1665-0.7904 ( 8844 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4607 -24.4607 -18.4552 -18.4552 -18.4343 -18.4343 -16.4202 -16.4202 -15.5104 -15.5104 -15.3444 -15.3443 -8.1738 -8.1730 -7.9253 -7.9244 -7.8609 -7.8609 -3.9968 -3.9967 -3.1644 -3.1637 -2.7753 -2.7742 -1.7743 -1.7739 -1.2822 -1.2746 -1.2403 -1.2343 -0.6385 -0.6325 -0.5263 -0.5193 0.3204 0.3211 0.4552 0.4562 0.5194 0.5210 0.8519 0.8534 1.3136 1.3181 1.3687 1.3691 1.5680 1.5737 9.8266 9.8268 10.5810 10.5811 11.7149 11.7150 12.4665 12.4738 12.5954 12.5955 k = 0.6111-0.1465-0.7904 ( 8836 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4608 -24.4608 -18.4566 -18.4566 -18.4330 -18.4330 -16.4250 -16.4250 -15.5185 -15.5185 -15.3289 -15.3288 -8.1736 -8.1729 -7.9251 -7.9242 -7.8604 -7.8604 -4.0408 -4.0408 -3.1509 -3.1503 -2.7319 -2.7308 -1.7786 -1.7781 -1.2931 -1.2856 -1.2385 -1.2327 -0.6403 -0.6343 -0.5169 -0.5102 0.3166 0.3173 0.4367 0.4380 0.5293 0.5309 0.8534 0.8548 1.3029 1.3074 1.3661 1.3663 1.5789 1.5844 9.8293 9.8295 10.5594 10.5594 11.7304 11.7305 12.4657 12.4729 12.5840 12.5841 k = 0.6041-0.1265-0.7904 ( 8832 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4609 -24.4609 -18.4578 -18.4578 -18.4317 -18.4317 -16.4300 -16.4300 -15.5262 -15.5262 -15.3135 -15.3135 -8.1735 -8.1727 -7.9248 -7.9240 -7.8598 -7.8598 -4.0855 -4.0855 -3.1349 -3.1343 -2.6889 -2.6877 -1.7833 -1.7827 -1.3055 -1.2981 -1.2371 -1.2317 -0.6396 -0.6337 -0.5079 -0.5016 0.3121 0.3128 0.4180 0.4195 0.5395 0.5410 0.8548 0.8562 1.2920 1.2965 1.3636 1.3637 1.5891 1.5943 9.8316 9.8319 10.5384 10.5384 11.7431 11.7433 12.4659 12.4730 12.5723 12.5724 k = 0.5972-0.1065-0.7904 ( 8832 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4611 -24.4611 -18.4591 -18.4591 -18.4305 -18.4305 -16.4350 -16.4350 -15.5335 -15.5334 -15.2983 -15.2983 -8.1733 -8.1726 -7.9246 -7.9238 -7.8593 -7.8592 -4.1300 -4.1300 -3.1172 -3.1167 -2.6463 -2.6452 -1.7882 -1.7875 -1.3194 -1.3121 -1.2362 -1.2311 -0.6365 -0.6308 -0.4994 -0.4935 0.3071 0.3076 0.3993 0.4009 0.5497 0.5512 0.8560 0.8574 1.2811 1.2855 1.3614 1.3614 1.5985 1.6033 9.8337 9.8339 10.5182 10.5182 11.7531 11.7533 12.4671 12.4741 12.5605 12.5607 k = 0.5902-0.0865-0.7904 ( 8830 PWs) bands (ev): -94.3087 -94.3087 -94.3086 -94.3086 -24.4612 -24.4612 -18.4602 -18.4602 -18.4294 -18.4294 -16.4400 -16.4400 -15.5403 -15.5402 -15.2836 -15.2836 -8.1731 -8.1724 -7.9244 -7.9237 -7.8587 -7.8587 -4.1735 -4.1734 -3.0987 -3.0982 -2.6045 -2.6033 -1.7931 -1.7923 -1.3348 -1.3277 -1.2357 -1.2309 -0.6314 -0.6258 -0.4914 -0.4859 0.3016 0.3020 0.3807 0.3824 0.5598 0.5612 0.8570 0.8583 1.2703 1.2746 1.3592 1.3592 1.6071 1.6116 9.8354 9.8356 10.4990 10.4991 11.7606 11.7608 12.4692 12.4760 12.5487 12.5489 k = 0.5833-0.0665-0.7904 ( 8830 PWs) bands (ev): -94.3088 -94.3088 -94.3086 -94.3086 -24.4613 -24.4613 -18.4613 -18.4613 -18.4283 -18.4283 -16.4449 -16.4449 -15.5466 -15.5466 -15.2694 -15.2694 -8.1730 -8.1723 -7.9241 -7.9235 -7.8581 -7.8581 -4.2153 -4.2153 -3.0798 -3.0793 -2.5635 -2.5623 -1.7978 -1.7970 -1.3514 -1.3445 -1.2354 -1.2310 -0.6244 -0.6191 -0.4840 -0.4788 0.2958 0.2961 0.3624 0.3641 0.5696 0.5709 0.8577 0.8589 1.2599 1.2641 1.3572 1.3573 1.6150 1.6192 9.8368 9.8370 10.4810 10.4810 11.7658 11.7660 12.4721 12.4787 12.5372 12.5373 k = 0.5764-0.0465-0.7904 ( 8826 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4614 -24.4614 -18.4623 -18.4623 -18.4273 -18.4273 -16.4497 -16.4497 -15.5525 -15.5525 -15.2559 -15.2559 -8.1728 -8.1722 -7.9239 -7.9233 -7.8575 -7.8575 -4.2550 -4.2550 -3.0611 -3.0607 -2.5237 -2.5225 -1.8023 -1.8013 -1.3691 -1.3625 -1.2355 -1.2314 -0.6160 -0.6109 -0.4770 -0.4722 0.2899 0.2900 0.3447 0.3464 0.5789 0.5801 0.8581 0.8592 1.2500 1.2540 1.3553 1.3555 1.6220 1.6259 9.8380 9.8381 10.4641 10.4642 11.7691 11.7693 12.4757 12.4820 12.5259 12.5261 k = 0.5694-0.0265-0.7904 ( 8834 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4615 -24.4615 -18.4633 -18.4633 -18.4264 -18.4264 -16.4542 -16.4542 -15.5578 -15.5578 -15.2432 -15.2432 -8.1727 -8.1721 -7.9237 -7.9231 -7.8569 -7.8569 -4.2923 -4.2923 -3.0430 -3.0426 -2.4852 -2.4841 -1.8064 -1.8053 -1.3876 -1.3813 -1.2357 -1.2320 -0.6065 -0.6017 -0.4707 -0.4662 0.2839 0.2839 0.3276 0.3292 0.5877 0.5888 0.8582 0.8592 1.2408 1.2445 1.3537 1.3539 1.6284 1.6319 9.8389 9.8390 10.4486 10.4487 11.7709 11.7710 12.4797 12.4857 12.5151 12.5153 k = 0.5625-0.0065-0.7904 ( 8832 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4616 -24.4616 -18.4641 -18.4641 -18.4255 -18.4255 -16.4585 -16.4585 -15.5627 -15.5627 -15.2313 -15.2313 -8.1725 -8.1720 -7.9235 -7.9230 -7.8564 -7.8563 -4.3268 -4.3267 -3.0257 -3.0253 -2.4485 -2.4474 -1.8100 -1.8089 -1.4067 -1.4007 -1.2360 -1.2326 -0.5963 -0.5918 -0.4648 -0.4608 0.2776 0.2778 0.3116 0.3131 0.5959 0.5969 0.8580 0.8588 1.2323 1.2358 1.3522 1.3524 1.6340 1.6372 9.8396 9.8397 10.4344 10.4345 11.7713 11.7715 12.4841 12.4896 12.5049 12.5051 k = 0.5555 0.0135-0.7904 ( 8832 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4617 -24.4617 -18.4649 -18.4649 -18.4247 -18.4247 -16.4624 -16.4624 -15.5672 -15.5671 -15.2205 -15.2205 -8.1724 -8.1720 -7.9233 -7.9229 -7.8558 -7.8558 -4.3582 -4.3582 -3.0096 -3.0093 -2.4139 -2.4128 -1.8131 -1.8118 -1.4259 -1.4203 -1.2364 -1.2334 -0.5857 -0.5816 -0.4596 -0.4559 0.2710 0.2716 0.2971 0.2982 0.6033 0.6042 0.8574 0.8582 1.2247 1.2279 1.3508 1.3511 1.6390 1.6418 9.8401 9.8402 10.4217 10.4217 11.7708 11.7709 12.4885 12.4930 12.4956 12.4964 k = 0.5486 0.0335-0.7904 ( 8832 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4618 -24.4618 -18.4656 -18.4656 -18.4240 -18.4240 -16.4659 -16.4659 -15.5711 -15.5710 -15.2107 -15.2107 -8.1723 -8.1719 -7.9232 -7.9228 -7.8553 -7.8553 -4.3863 -4.3863 -2.9949 -2.9946 -2.3817 -2.3807 -1.8155 -1.8142 -1.4448 -1.4396 -1.2369 -1.2342 -0.5751 -0.5715 -0.4548 -0.4516 0.2639 0.2649 0.2847 0.2853 0.6100 0.6108 0.8566 0.8573 1.2180 1.2209 1.3497 1.3499 1.6433 1.6458 9.8405 9.8406 10.4103 10.4104 11.7696 11.7697 12.4863 12.4866 12.4937 12.4983 k = 0.5417 0.0535-0.7904 ( 8820 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4619 -24.4619 -18.4662 -18.4662 -18.4234 -18.4234 -16.4691 -16.4691 -15.5744 -15.5744 -15.2021 -15.2021 -8.1722 -8.1718 -7.9230 -7.9227 -7.8549 -7.8549 -4.4110 -4.4110 -2.9818 -2.9815 -2.3523 -2.3515 -1.8173 -1.8160 -1.4629 -1.4582 -1.2373 -1.2351 -0.5650 -0.5618 -0.4507 -0.4479 0.2559 0.2573 0.2750 0.2751 0.6159 0.6165 0.8557 0.8562 1.2123 1.2148 1.3487 1.3489 1.6470 1.6491 9.8407 9.8408 10.4005 10.4005 11.7680 11.7681 12.4788 12.4790 12.4980 12.5021 k = 0.5347 0.0735-0.7904 ( 8810 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4620 -24.4620 -18.4667 -18.4667 -18.4229 -18.4229 -16.4718 -16.4718 -15.5773 -15.5773 -15.1946 -15.1946 -8.1721 -8.1718 -7.9229 -7.9226 -7.8545 -7.8545 -4.4321 -4.4321 -2.9704 -2.9702 -2.3263 -2.3256 -1.8184 -1.8172 -1.4798 -1.4757 -1.2377 -1.2358 -0.5557 -0.5529 -0.4471 -0.4448 0.2472 0.2488 0.2679 0.2681 0.6209 0.6214 0.8546 0.8551 1.2075 1.2097 1.3478 1.3480 1.6501 1.6518 9.8409 9.8410 10.3921 10.3921 11.7663 11.7664 12.4722 12.4723 12.5021 12.5056 k = 0.5278 0.0935-0.7904 ( 8812 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4621 -24.4621 -18.4671 -18.4671 -18.4225 -18.4225 -16.4740 -16.4740 -15.5797 -15.5797 -15.1885 -15.1885 -8.1720 -8.1718 -7.9227 -7.9225 -7.8542 -7.8542 -4.4496 -4.4496 -2.9609 -2.9607 -2.3042 -2.3035 -1.8190 -1.8179 -1.4948 -1.4913 -1.2381 -1.2366 -0.5474 -0.5452 -0.4442 -0.4423 0.2390 0.2403 0.2630 0.2632 0.6251 0.6255 0.8536 0.8540 1.2037 1.2055 1.3472 1.3473 1.6526 1.6540 9.8410 9.8410 10.3852 10.3852 11.7646 11.7647 12.4666 12.4667 12.5058 12.5086 k = 0.5208 0.1135-0.7904 ( 8816 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4621 -24.4621 -18.4675 -18.4675 -18.4222 -18.4222 -16.4758 -16.4758 -15.5815 -15.5815 -15.1837 -15.1837 -8.1719 -8.1718 -7.9227 -7.9225 -7.8539 -7.8539 -4.4632 -4.4632 -2.9534 -2.9533 -2.2863 -2.2858 -1.8191 -1.8181 -1.5072 -1.5045 -1.2383 -1.2372 -0.5406 -0.5389 -0.4418 -0.4404 0.2319 0.2330 0.2595 0.2597 0.6283 0.6286 0.8527 0.8530 1.2008 1.2022 1.3466 1.3467 1.6545 1.6556 9.8410 9.8411 10.3798 10.3799 11.7631 11.7632 12.4623 12.4623 12.5089 12.5110 k = 0.5139 0.1335-0.7904 ( 8812 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4621 -24.4621 -18.4677 -18.4677 -18.4219 -18.4219 -16.4771 -16.4771 -15.5828 -15.5828 -15.1802 -15.1802 -8.1719 -8.1718 -7.9226 -7.9225 -7.8537 -7.8537 -4.4730 -4.4730 -2.9480 -2.9479 -2.2731 -2.2728 -1.8189 -1.8182 -1.5165 -1.5146 -1.2385 -1.2377 -0.5354 -0.5343 -0.4400 -0.4391 0.2267 0.2275 0.2571 0.2573 0.6307 0.6309 0.8520 0.8522 1.1989 1.1998 1.3463 1.3463 1.6560 1.6567 9.8410 9.8411 10.3760 10.3760 11.7620 11.7620 12.4591 12.4591 12.5113 12.5127 k = 0.5069 0.1535-0.7904 ( 8816 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4679 -18.4679 -18.4218 -18.4218 -16.4779 -16.4779 -15.5836 -15.5836 -15.1781 -15.1781 -8.1718 -8.1718 -7.9225 -7.9225 -7.8536 -7.8536 -4.4789 -4.4789 -2.9447 -2.9446 -2.2650 -2.2649 -1.8186 -1.8183 -1.5221 -1.5212 -1.2385 -1.2381 -0.5321 -0.5316 -0.4389 -0.4384 0.2236 0.2240 0.2558 0.2559 0.6321 0.6322 0.8516 0.8517 1.1978 1.1983 1.3461 1.3461 1.6569 1.6573 9.8411 9.8411 10.3737 10.3737 11.7613 11.7613 12.4572 12.4572 12.5129 12.5136 k = 0.5000 0.1735-0.7904 ( 8818 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4679 -18.4679 -18.4217 -18.4217 -16.4781 -16.4781 -15.5839 -15.5839 -15.1774 -15.1774 -8.1718 -8.1718 -7.9225 -7.9225 -7.8536 -7.8536 -4.4809 -4.4809 -2.9436 -2.9436 -2.2623 -2.2623 -1.8184 -1.8184 -1.5237 -1.5237 -1.2384 -1.2384 -0.5308 -0.5308 -0.4383 -0.4383 0.2226 0.2226 0.2554 0.2554 0.6326 0.6326 0.8515 0.8515 1.1976 1.1976 1.3460 1.3460 1.6573 1.6573 9.8411 9.8411 10.3729 10.3729 11.7610 11.7610 12.4566 12.4566 12.5137 12.5137 k = 0.5000 0.1735-0.7904 ( 8818 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4679 -18.4679 -18.4217 -18.4217 -16.4781 -16.4781 -15.5839 -15.5839 -15.1774 -15.1774 -8.1718 -8.1718 -7.9225 -7.9225 -7.8536 -7.8536 -4.4809 -4.4809 -2.9436 -2.9436 -2.2623 -2.2623 -1.8184 -1.8184 -1.5237 -1.5237 -1.2384 -1.2384 -0.5308 -0.5308 -0.4383 -0.4383 0.2226 0.2226 0.2554 0.2554 0.6326 0.6326 0.8515 0.8515 1.1976 1.1976 1.3460 1.3460 1.6573 1.6573 9.8411 9.8411 10.3729 10.3729 11.7610 11.7610 12.4566 12.4566 12.5137 12.5137 k = 0.5153 0.1788-0.7795 ( 8815 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4679 -18.4679 -18.4218 -18.4218 -16.4783 -16.4783 -15.5837 -15.5837 -15.1774 -15.1774 -8.1719 -8.1717 -7.9226 -7.9224 -7.8536 -7.8535 -4.4809 -4.4808 -2.9443 -2.9442 -2.2622 -2.2622 -1.8189 -1.8188 -1.5236 -1.5232 -1.2386 -1.2382 -0.5306 -0.5304 -0.4382 -0.4373 0.2225 0.2227 0.2556 0.2563 0.6327 0.6331 0.8506 0.8515 1.1965 1.1978 1.3455 1.3467 1.6571 1.6573 9.8405 9.8405 10.3744 10.3745 11.7586 11.7586 12.4557 12.4558 12.5138 12.5139 k = 0.5305 0.1841-0.7687 ( 8825 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4677 -18.4677 -18.4219 -18.4219 -16.4787 -16.4787 -15.5832 -15.5832 -15.1773 -15.1773 -8.1719 -8.1716 -7.9226 -7.9223 -7.8537 -7.8534 -4.4808 -4.4807 -2.9463 -2.9461 -2.2621 -2.2619 -1.8205 -1.8203 -1.5229 -1.5221 -1.2388 -1.2379 -0.5297 -0.5293 -0.4370 -0.4352 0.2222 0.2226 0.2571 0.2585 0.6332 0.6341 0.8489 0.8506 1.1944 1.1970 1.3451 1.3475 1.6565 1.6570 9.8387 9.8388 10.3789 10.3790 11.7513 11.7514 12.4535 12.4536 12.5143 12.5144 k = 0.5458 0.1894-0.7579 ( 8823 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4675 -18.4675 -18.4221 -18.4221 -16.4794 -16.4794 -15.5824 -15.5824 -15.1771 -15.1771 -8.1720 -8.1715 -7.9227 -7.9222 -7.8537 -7.8533 -4.4806 -4.4805 -2.9496 -2.9492 -2.2618 -2.2616 -1.8231 -1.8228 -1.5216 -1.5203 -1.2390 -1.2377 -0.5281 -0.5275 -0.4348 -0.4321 0.2217 0.2224 0.2599 0.2620 0.6343 0.6356 0.8464 0.8490 1.1914 1.1953 1.3449 1.3484 1.6557 1.6564 9.8358 9.8360 10.3863 10.3865 11.7393 11.7394 12.4502 12.4504 12.5149 12.5150 k = 0.5611 0.1947-0.7471 ( 8819 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4672 -18.4672 -18.4225 -18.4225 -16.4804 -16.4804 -15.5812 -15.5812 -15.1769 -15.1769 -8.1721 -8.1714 -7.9228 -7.9220 -7.8538 -7.8532 -4.4804 -4.4802 -2.9541 -2.9537 -2.2615 -2.2612 -1.8267 -1.8263 -1.5196 -1.5179 -1.2391 -1.2374 -0.5258 -0.5250 -0.4314 -0.4280 0.2210 0.2221 0.2640 0.2667 0.6357 0.6375 0.8431 0.8465 1.1876 1.1926 1.3449 1.3494 1.6546 1.6555 9.8319 9.8322 10.3966 10.3968 11.7226 11.7228 12.4466 12.4468 12.5155 12.5156 k = 0.5764 0.2000-0.7362 ( 8815 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4669 -18.4669 -18.4229 -18.4229 -16.4817 -16.4817 -15.5797 -15.5796 -15.1767 -15.1767 -8.1721 -8.1713 -7.9228 -7.9219 -7.8538 -7.8531 -4.4801 -4.4799 -2.9598 -2.9593 -2.2611 -2.2608 -1.8312 -1.8307 -1.5170 -1.5148 -1.2392 -1.2371 -0.5229 -0.5219 -0.4272 -0.4229 0.2202 0.2215 0.2694 0.2728 0.6376 0.6399 0.8389 0.8433 1.1830 1.1891 1.3449 1.3504 1.6532 1.6543 9.8271 9.8275 10.4094 10.4097 11.7014 11.7016 12.4433 12.4435 12.5159 12.5160 k = 0.5916 0.2053-0.7254 ( 8810 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4664 -18.4664 -18.4233 -18.4233 -16.4832 -16.4832 -15.5778 -15.5778 -15.1764 -15.1763 -8.1721 -8.1712 -7.9229 -7.9218 -7.8538 -7.8530 -4.4797 -4.4794 -2.9667 -2.9661 -2.2608 -2.2604 -1.8366 -1.8360 -1.5137 -1.5112 -1.2392 -1.2367 -0.5193 -0.5182 -0.4219 -0.4169 0.2191 0.2207 0.2761 0.2801 0.6398 0.6426 0.8340 0.8393 1.1777 1.1848 1.3452 1.3515 1.6516 1.6529 9.8215 9.8219 10.4247 10.4250 11.6760 11.6763 12.4409 12.4410 12.5159 12.5161 k = 0.6069 0.2106-0.7146 ( 8806 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4659 -18.4659 -18.4239 -18.4239 -16.4850 -16.4850 -15.5756 -15.5756 -15.1760 -15.1760 -8.1721 -8.1711 -7.9229 -7.9217 -7.8538 -7.8529 -4.4792 -4.4789 -2.9747 -2.9740 -2.2606 -2.2602 -1.8428 -1.8422 -1.5097 -1.5068 -1.2390 -1.2361 -0.5151 -0.5138 -0.4159 -0.4102 0.2179 0.2198 0.2840 0.2887 0.6422 0.6455 0.8283 0.8346 1.1717 1.1797 1.3455 1.3526 1.6497 1.6512 9.8151 9.8155 10.4421 10.4424 11.6468 11.6471 12.4398 12.4400 12.5155 12.5157 k = 0.6222 0.2159-0.7037 ( 8806 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4653 -18.4653 -18.4245 -18.4245 -16.4871 -16.4871 -15.5731 -15.5731 -15.1756 -15.1755 -8.1721 -8.1710 -7.9229 -7.9216 -7.8538 -7.8528 -4.4787 -4.4784 -2.9837 -2.9828 -2.2606 -2.2601 -1.8498 -1.8491 -1.5051 -1.5018 -1.2387 -1.2353 -0.5103 -0.5089 -0.4091 -0.4027 0.2166 0.2187 0.2931 0.2983 0.6447 0.6487 0.8218 0.8293 1.1652 1.1740 1.3459 1.3536 1.6476 1.6493 9.8081 9.8086 10.4614 10.4617 11.6143 11.6146 12.4403 12.4406 12.5145 12.5147 k = 0.6374 0.2213-0.6929 ( 8814 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4624 -24.4624 -18.4647 -18.4647 -18.4252 -18.4252 -16.4894 -16.4894 -15.5703 -15.5703 -15.1751 -15.1751 -8.1721 -8.1709 -7.9229 -7.9215 -7.8538 -7.8526 -4.4781 -4.4778 -2.9936 -2.9927 -2.2608 -2.2603 -1.8575 -1.8567 -1.4998 -1.4961 -1.2382 -1.2343 -0.5049 -0.5034 -0.4015 -0.3946 0.2151 0.2175 0.3033 0.3091 0.6472 0.6520 0.8148 0.8235 1.1581 1.1677 1.3464 1.3547 1.6453 1.6472 9.8006 9.8011 10.4820 10.4823 11.5791 11.5795 12.4428 12.4433 12.5128 12.5131 k = 0.6527 0.2266-0.6821 ( 8808 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4624 -24.4624 -18.4640 -18.4640 -18.4259 -18.4259 -16.4920 -16.4920 -15.5673 -15.5672 -15.1745 -15.1745 -8.1721 -8.1708 -7.9229 -7.9213 -7.8537 -7.8525 -4.4775 -4.4771 -3.0044 -3.0034 -2.2614 -2.2608 -1.8657 -1.8649 -1.4938 -1.4898 -1.2373 -1.2330 -0.4990 -0.4975 -0.3934 -0.3859 0.2137 0.2163 0.3145 0.3208 0.6497 0.6552 0.8071 0.8171 1.1507 1.1609 1.3470 1.3558 1.6428 1.6449 9.7928 9.7933 10.5034 10.5037 11.5423 11.5427 12.4474 12.4479 12.5104 12.5107 k = 0.6527 0.2266-0.6821 ( 8808 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4624 -24.4624 -18.4640 -18.4640 -18.4259 -18.4259 -16.4920 -16.4920 -15.5673 -15.5672 -15.1745 -15.1745 -8.1721 -8.1708 -7.9229 -7.9213 -7.8537 -7.8525 -4.4775 -4.4771 -3.0044 -3.0034 -2.2614 -2.2608 -1.8657 -1.8649 -1.4938 -1.4898 -1.2373 -1.2330 -0.4990 -0.4975 -0.3934 -0.3859 0.2137 0.2163 0.3145 0.3208 0.6497 0.6552 0.8071 0.8171 1.1507 1.1609 1.3470 1.3558 1.6428 1.6449 9.7928 9.7933 10.5034 10.5037 11.5423 11.5427 12.4474 12.4479 12.5104 12.5107 k = 0.6487 0.2252-0.6613 ( 8808 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4626 -24.4626 -18.4633 -18.4633 -18.4266 -18.4266 -16.5008 -16.5008 -15.5570 -15.5569 -15.1726 -15.1726 -8.1716 -8.1703 -7.9224 -7.9208 -7.8534 -7.8522 -4.4757 -4.4752 -3.0400 -3.0387 -2.2651 -2.2644 -1.8748 -1.8738 -1.4743 -1.4694 -1.2220 -1.2165 -0.4947 -0.4931 -0.3886 -0.3805 0.2149 0.2190 0.3193 0.3260 0.6415 0.6504 0.7995 0.8138 1.1391 1.1502 1.3599 1.3690 1.6435 1.6458 9.7950 9.7955 10.5026 10.5030 11.5105 11.5110 12.4471 12.4474 12.5168 12.5172 k = 0.6447 0.2238-0.6405 ( 8795 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4628 -24.4628 -18.4627 -18.4627 -18.4274 -18.4274 -16.5114 -16.5114 -15.5445 -15.5444 -15.1703 -15.1702 -8.1711 -8.1698 -7.9218 -7.9202 -7.8529 -7.8518 -4.4735 -4.4729 -3.0805 -3.0791 -2.2733 -2.2725 -1.8867 -1.8857 -1.4484 -1.4430 -1.2029 -1.1964 -0.4896 -0.4878 -0.3820 -0.3734 0.2171 0.2226 0.3240 0.3309 0.6301 0.6419 0.7931 0.8112 1.1273 1.1390 1.3741 1.3832 1.6443 1.6468 9.7974 9.7978 10.4972 10.4975 11.4739 11.4744 12.4447 12.4449 12.5272 12.5276 k = 0.6407 0.2224-0.6197 ( 8793 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4631 -24.4631 -18.4621 -18.4621 -18.4281 -18.4281 -16.5236 -16.5236 -15.5300 -15.5300 -15.1674 -15.1674 -8.1704 -8.1691 -7.9212 -7.9196 -7.8524 -7.8513 -4.4708 -4.4702 -3.1246 -3.1230 -2.2868 -2.2859 -1.9013 -1.9003 -1.4164 -1.4106 -1.1807 -1.1733 -0.4835 -0.4818 -0.3738 -0.3647 0.2205 0.2271 0.3281 0.3349 0.6161 0.6302 0.7885 0.8094 1.1156 1.1278 1.3891 1.3981 1.6451 1.6478 9.7998 9.8002 10.4875 10.4879 11.4328 11.4333 12.4414 12.4415 12.5400 12.5404 k = 0.6366 0.2210-0.5989 ( 8788 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4633 -24.4633 -18.4614 -18.4614 -18.4289 -18.4289 -16.5373 -16.5373 -15.5138 -15.5138 -15.1642 -15.1642 -8.1697 -8.1683 -7.9204 -7.9188 -7.8518 -7.8507 -4.4678 -4.4671 -3.1711 -3.1693 -2.3061 -2.3051 -1.9178 -1.9169 -1.3790 -1.3730 -1.1562 -1.1479 -0.4766 -0.4749 -0.3643 -0.3547 0.2252 0.2325 0.3310 0.3373 0.6002 0.6160 0.7856 0.8085 1.1042 1.1168 1.4047 1.4135 1.6460 1.6489 9.8024 9.8028 10.4741 10.4745 11.3875 11.3881 12.4374 12.4375 12.5545 12.5549 k = 0.6326 0.2196-0.5781 ( 8795 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4637 -24.4637 -18.4608 -18.4608 -18.4297 -18.4297 -16.5522 -16.5521 -15.4961 -15.4960 -15.1605 -15.1605 -8.1689 -8.1675 -7.9195 -7.9179 -7.8511 -7.8501 -4.4644 -4.4636 -3.2188 -3.2169 -2.3310 -2.3299 -1.9359 -1.9351 -1.3375 -1.3312 -1.1297 -1.1206 -0.4689 -0.4672 -0.3538 -0.3436 0.2312 0.2387 0.3319 0.3373 0.5837 0.6007 0.7842 0.8083 1.0933 1.1062 1.4207 1.4293 1.6469 1.6500 9.8050 9.8054 10.4574 10.4577 11.3385 11.3391 12.4328 12.4329 12.5705 12.5709 k = 0.6286 0.2182-0.5573 ( 8799 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4640 -24.4640 -18.4602 -18.4602 -18.4305 -18.4305 -16.5680 -16.5680 -15.4770 -15.4770 -15.1564 -15.1564 -8.1680 -8.1666 -7.9186 -7.9170 -7.8504 -7.8494 -4.4606 -4.4598 -3.2670 -3.2649 -2.3612 -2.3601 -1.9551 -1.9543 -1.2929 -1.2864 -1.1016 -1.0917 -0.4605 -0.4586 -0.3424 -0.3318 0.2383 0.2451 0.3301 0.3346 0.5680 0.5859 0.7839 0.8085 1.0830 1.0962 1.4369 1.4453 1.6480 1.6513 9.8078 9.8082 10.4378 10.4381 11.2864 11.2870 12.4278 12.4280 12.5876 12.5880 k = 0.6246 0.2168-0.5365 ( 8804 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4644 -24.4644 -18.4596 -18.4596 -18.4313 -18.4313 -16.5847 -16.5846 -15.4570 -15.4569 -15.1519 -15.1519 -8.1670 -8.1657 -7.9176 -7.9160 -7.8495 -7.8486 -4.4566 -4.4557 -3.3149 -3.3127 -2.3962 -2.3950 -1.9750 -1.9743 -1.2465 -1.2398 -1.0722 -1.0616 -0.4513 -0.4493 -0.3305 -0.3194 0.2451 0.2504 0.3249 0.3306 0.5544 0.5732 0.7843 0.8091 1.0735 1.0870 1.4532 1.4613 1.6492 1.6526 9.8107 9.8111 10.4156 10.4159 11.2316 11.2321 12.4225 12.4228 12.6058 12.6062 k = 0.6206 0.2154-0.5157 ( 8795 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4648 -24.4648 -18.4589 -18.4589 -18.4321 -18.4321 -16.6019 -16.6019 -15.4360 -15.4360 -15.1471 -15.1470 -8.1660 -8.1647 -7.9166 -7.9150 -7.8486 -7.8478 -4.4523 -4.4513 -3.3621 -3.3598 -2.4354 -2.4341 -1.9954 -1.9948 -1.1995 -1.1926 -1.0417 -1.0304 -0.4415 -0.4392 -0.3183 -0.3066 0.2474 0.2523 0.3184 0.3288 0.5442 0.5637 0.7850 0.8097 1.0649 1.0787 1.4696 1.4775 1.6505 1.6541 9.8138 9.8141 10.3912 10.3916 11.1747 11.1752 12.4173 12.4177 12.6247 12.6250 k = 0.6166 0.2140-0.4949 ( 8801 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4653 -24.4653 -18.4583 -18.4583 -18.4330 -18.4330 -16.6196 -16.6196 -15.4144 -15.4143 -15.1419 -15.1418 -8.1649 -8.1636 -7.9154 -7.9138 -7.8477 -7.8469 -4.4478 -4.4467 -3.4079 -3.4056 -2.4783 -2.4769 -2.0160 -2.0155 -1.1529 -1.1458 -1.0102 -0.9983 -0.4312 -0.4284 -0.3060 -0.2939 0.2385 0.2461 0.3179 0.3332 0.5379 0.5578 0.7858 0.8102 1.0574 1.0714 1.4861 1.4937 1.6520 1.6558 9.8169 9.8172 10.3651 10.3654 11.1161 11.1167 12.4126 12.4130 12.6440 12.6443 k = 0.6125 0.2126-0.4741 ( 8795 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4658 -24.4658 -18.4577 -18.4577 -18.4339 -18.4339 -16.6376 -16.6376 -15.3923 -15.3922 -15.1363 -15.1363 -8.1638 -8.1625 -7.9142 -7.9127 -7.8467 -7.8460 -4.4431 -4.4420 -3.4521 -3.4497 -2.5243 -2.5229 -2.0368 -2.0363 -1.1073 -1.1002 -0.9779 -0.9656 -0.4205 -0.4172 -0.2939 -0.2814 0.2183 0.2271 0.3281 0.3456 0.5352 0.5553 0.7865 0.8105 1.0511 1.0653 1.5026 1.5100 1.6537 1.6577 9.8202 9.8204 10.3374 10.3377 11.0565 11.0571 12.4086 12.4091 12.6635 12.6637 k = 0.6085 0.2112-0.4533 ( 8794 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4663 -24.4663 -18.4571 -18.4571 -18.4347 -18.4347 -16.6557 -16.6557 -15.3699 -15.3698 -15.1305 -15.1305 -8.1626 -8.1613 -7.9130 -7.9115 -7.8456 -7.8450 -4.4382 -4.4370 -3.4944 -3.4919 -2.5730 -2.5715 -2.0576 -2.0572 -1.0635 -1.0564 -0.9451 -0.9324 -0.4095 -0.4055 -0.2822 -0.2694 0.1898 0.1984 0.3463 0.3642 0.5354 0.5556 0.7869 0.8103 1.0460 1.0604 1.5191 1.5263 1.6557 1.6598 9.8235 9.8238 10.3085 10.3088 10.9962 10.9968 12.4056 12.4061 12.6829 12.6831 k = 0.6045 0.2098-0.4325 ( 8799 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4668 -24.4668 -18.4565 -18.4565 -18.4356 -18.4356 -16.6739 -16.6739 -15.3473 -15.3472 -15.1244 -15.1244 -8.1614 -8.1601 -7.9117 -7.9102 -7.8445 -7.8439 -4.4332 -4.4320 -3.5344 -3.5318 -2.6239 -2.6223 -2.0782 -2.0779 -1.0217 -1.0147 -0.9119 -0.8992 -0.3984 -0.3935 -0.2713 -0.2581 0.1557 0.1639 0.3698 0.3877 0.5379 0.5579 0.7870 0.8097 1.0423 1.0567 1.5356 1.5427 1.6580 1.6623 9.8269 9.8271 10.2787 10.2790 10.9358 10.9364 12.4038 12.4043 12.7020 12.7023 k = 0.6005 0.2084-0.4117 ( 8795 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4673 -24.4673 -18.4559 -18.4559 -18.4366 -18.4366 -16.6920 -16.6919 -15.3247 -15.3246 -15.1181 -15.1180 -8.1602 -8.1589 -7.9104 -7.9089 -7.8434 -7.8428 -4.4282 -4.4269 -3.5719 -3.5692 -2.6766 -2.6750 -2.0987 -2.0985 -0.9820 -0.9753 -0.8789 -0.8662 -0.3873 -0.3815 -0.2613 -0.2480 0.1179 0.1260 0.3972 0.4150 0.5419 0.5619 0.7865 0.8085 1.0400 1.0544 1.5521 1.5590 1.6607 1.6651 9.8303 9.8305 10.2481 10.2484 10.8757 10.8762 12.4032 12.4038 12.7208 12.7211 k = 0.5965 0.2070-0.3909 ( 8789 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4679 -24.4679 -18.4553 -18.4553 -18.4375 -18.4375 -16.7098 -16.7098 -15.3022 -15.3021 -15.1115 -15.1115 -8.1589 -8.1577 -7.9091 -7.9076 -7.8422 -7.8417 -4.4231 -4.4218 -3.6067 -3.6041 -2.7307 -2.7291 -2.1189 -2.1187 -0.9444 -0.9380 -0.8463 -0.8340 -0.3764 -0.3697 -0.2527 -0.2394 0.0779 0.0859 0.4274 0.4454 0.5472 0.5672 0.7857 0.8068 1.0390 1.0533 1.5685 1.5753 1.6638 1.6684 9.8336 9.8338 10.2170 10.2173 10.8162 10.8167 12.4041 12.4047 12.7390 12.7394 k = 0.5924 0.2056-0.3701 ( 8789 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4684 -24.4684 -18.4547 -18.4547 -18.4384 -18.4384 -16.7274 -16.7274 -15.2799 -15.2798 -15.1048 -15.1048 -8.1577 -8.1564 -7.9078 -7.9063 -7.8410 -7.8405 -4.4180 -4.4167 -3.6388 -3.6361 -2.7861 -2.7844 -2.1388 -2.1387 -0.9086 -0.9026 -0.8147 -0.8027 -0.3659 -0.3582 -0.2459 -0.2328 0.0368 0.0452 0.4596 0.4780 0.5539 0.5739 0.7844 0.8047 1.0394 1.0535 1.5849 1.5916 1.6674 1.6723 9.8367 9.8369 10.1857 10.1859 10.7579 10.7584 12.4064 12.4071 12.7565 12.7570 k = 0.5884 0.2042-0.3493 ( 8781 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4690 -24.4690 -18.4541 -18.4541 -18.4394 -18.4394 -16.7447 -16.7447 -15.2580 -15.2579 -15.0980 -15.0979 -8.1564 -8.1551 -7.9064 -7.9050 -7.8398 -7.8394 -4.4129 -4.4115 -3.6680 -3.6653 -2.8423 -2.8406 -2.1583 -2.1582 -0.8746 -0.8689 -0.7843 -0.7727 -0.3559 -0.3472 -0.2415 -0.2291 -0.0040 0.0051 0.4918 0.5105 0.5630 0.5829 0.7829 0.8024 1.0411 1.0550 1.6011 1.6077 1.6716 1.6768 9.8396 9.8398 10.1542 10.1544 10.7011 10.7016 12.4103 12.4109 12.7733 12.7739 k = 0.5844 0.2028-0.3285 ( 8784 PWs) bands (ev): -94.3089 -94.3089 -94.3084 -94.3084 -24.4696 -24.4696 -18.4535 -18.4535 -18.4403 -18.4403 -16.7615 -16.7615 -15.2365 -15.2364 -15.0910 -15.0909 -8.1551 -8.1539 -7.9050 -7.9036 -7.8385 -7.8382 -4.4077 -4.4063 -3.6942 -3.6916 -2.8991 -2.8974 -2.1774 -2.1773 -0.8421 -0.8367 -0.7553 -0.7439 -0.3466 -0.3369 -0.2408 -0.2296 -0.0431 -0.0326 0.5208 0.5377 0.5790 0.5963 0.7815 0.8002 1.0440 1.0575 1.6171 1.6236 1.6767 1.6821 9.8421 9.8423 10.1227 10.1230 10.6462 10.6467 12.4155 12.4162 12.7893 12.7900 k = 0.5804 0.2014-0.3077 ( 8780 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4701 -24.4701 -18.4529 -18.4529 -18.4413 -18.4413 -16.7779 -16.7779 -15.2155 -15.2154 -15.0840 -15.0839 -8.1538 -8.1526 -7.9037 -7.9023 -7.8373 -7.8370 -4.4024 -4.4011 -3.7175 -3.7149 -2.9564 -2.9546 -2.1959 -2.1958 -0.8112 -0.8059 -0.7276 -0.7163 -0.3380 -0.3273 -0.2455 -0.2364 -0.0781 -0.0655 0.5422 0.5537 0.6065 0.6171 0.7809 0.7989 1.0480 1.0611 1.6326 1.6392 1.6827 1.6885 9.8441 9.8442 10.0915 10.0917 10.5937 10.5942 12.4222 12.4229 12.8042 12.8051 k = 0.5764 0.2000-0.2869 ( 8780 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4707 -24.4707 -18.4523 -18.4523 -18.4423 -18.4423 -16.7937 -16.7937 -15.1952 -15.1951 -15.0769 -15.0768 -8.1525 -8.1514 -7.9023 -7.9010 -7.8360 -7.8357 -4.3970 -4.3957 -3.7380 -3.7354 -3.0138 -3.0120 -2.2139 -2.2138 -0.7818 -0.7766 -0.7011 -0.6897 -0.3303 -0.3186 -0.2580 -0.2515 -0.1064 -0.0910 0.5550 0.5631 0.6386 0.6443 0.7824 0.7999 1.0530 1.0657 1.6475 1.6541 1.6899 1.6960 9.8452 9.8454 10.0606 10.0609 10.5440 10.5445 12.4303 12.4309 12.8181 12.8193 k = 0.5723 0.1987-0.2661 ( 8788 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4713 -24.4713 -18.4518 -18.4518 -18.4432 -18.4432 -16.8089 -16.8089 -15.1755 -15.1754 -15.0699 -15.0698 -8.1513 -8.1502 -7.9010 -7.8997 -7.8348 -7.8345 -4.3914 -4.3901 -3.7556 -3.7530 -3.0711 -3.0694 -2.2312 -2.2312 -0.7540 -0.7488 -0.6756 -0.6640 -0.3240 -0.3113 -0.2793 -0.2754 -0.1260 -0.1081 0.5628 0.5699 0.6669 0.6720 0.7890 0.8060 1.0590 1.0711 1.6617 1.6682 1.6986 1.7048 9.8454 9.8455 10.0303 10.0305 10.4974 10.4979 12.4397 12.4403 12.8307 12.8322 k = 0.5683 0.1973-0.2453 ( 8806 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4718 -24.4718 -18.4512 -18.4512 -18.4441 -18.4441 -16.8234 -16.8234 -15.1566 -15.1565 -15.0629 -15.0628 -8.1501 -8.1490 -7.8997 -7.8985 -7.8335 -7.8333 -4.3855 -4.3842 -3.7705 -3.7680 -3.1282 -3.1265 -2.2479 -2.2478 -0.7279 -0.7227 -0.6508 -0.6387 -0.3231 -0.3136 -0.3026 -0.2992 -0.1379 -0.1183 0.5683 0.5751 0.6863 0.6929 0.8047 0.8206 1.0657 1.0773 1.6752 1.6812 1.7090 1.7151 9.8443 9.8445 10.0006 10.0008 10.4544 10.4549 12.4503 12.4509 12.8414 12.8436 k = 0.5643 0.1959-0.2245 ( 8803 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4724 -24.4724 -18.4507 -18.4507 -18.4450 -18.4450 -16.8373 -16.8373 -15.1385 -15.1384 -15.0560 -15.0559 -8.1489 -8.1479 -7.8984 -7.8972 -7.8323 -7.8321 -4.3792 -4.3780 -3.7828 -3.7805 -3.1849 -3.1832 -2.2639 -2.2638 -0.7037 -0.6986 -0.6262 -0.6136 -0.3490 -0.3463 -0.3069 -0.2957 -0.1448 -0.1242 0.5726 0.5792 0.6952 0.7029 0.8306 0.8450 1.0730 1.0840 1.6879 1.6933 1.7209 1.7266 9.8418 9.8419 9.9717 9.9719 10.4154 10.4159 12.4620 12.4626 12.8486 12.8517 k = 0.5603 0.1945-0.2037 ( 8805 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4729 -24.4729 -18.4502 -18.4502 -18.4459 -18.4459 -16.8505 -16.8505 -15.1213 -15.1212 -15.0492 -15.0491 -8.1477 -8.1467 -7.8972 -7.8960 -7.8311 -7.8310 -4.3724 -4.3712 -3.7928 -3.7906 -3.2409 -3.2392 -2.2791 -2.2791 -0.6816 -0.6764 -0.6018 -0.5885 -0.3856 -0.3842 -0.3030 -0.2906 -0.1491 -0.1280 0.5762 0.5825 0.6964 0.7042 0.8635 0.8762 1.0809 1.0912 1.7003 1.7049 1.7339 1.7389 9.8376 9.8377 9.9437 9.9439 10.3806 10.3811 12.4747 12.4753 12.8472 12.8509 k = 0.5563 0.1931-0.1829 ( 8805 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4734 -24.4734 -18.4498 -18.4498 -18.4467 -18.4467 -16.8629 -16.8629 -15.1050 -15.1049 -15.0426 -15.0426 -8.1466 -8.1457 -7.8960 -7.8949 -7.8300 -7.8298 -4.3649 -4.3638 -3.8007 -3.7985 -3.2961 -3.2945 -2.2936 -2.2935 -0.6615 -0.6565 -0.5772 -0.5635 -0.4235 -0.4228 -0.2988 -0.2859 -0.1522 -0.1309 0.5792 0.5851 0.6928 0.7005 0.8990 0.9104 1.0891 1.0988 1.7128 1.7166 1.7474 1.7518 9.8315 9.8316 9.9167 9.9170 10.3504 10.3508 12.4883 12.4888 12.8338 12.8363 k = 0.5522 0.1917-0.1621 ( 8805 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4739 -24.4739 -18.4495 -18.4495 -18.4473 -18.4473 -16.8746 -16.8746 -15.0897 -15.0896 -15.0363 -15.0362 -8.1455 -8.1447 -7.8948 -7.8938 -7.8289 -7.8288 -4.3567 -4.3556 -3.8066 -3.8046 -3.3503 -3.3487 -2.3072 -2.3071 -0.6435 -0.6387 -0.5525 -0.5388 -0.4611 -0.4604 -0.2949 -0.2818 -0.1550 -0.1336 0.5817 0.5872 0.6867 0.6940 0.9345 0.9449 1.0975 1.1065 1.7254 1.7287 1.7608 1.7647 9.8236 9.8237 9.8909 9.8911 10.3246 10.3250 12.5026 12.5031 12.8143 12.8158 k = 0.5482 0.1903-0.1413 ( 8805 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4744 -24.4744 -18.4496 -18.4496 -18.4477 -18.4477 -16.8855 -16.8855 -15.0754 -15.0753 -15.0302 -15.0301 -8.1445 -8.1437 -7.8937 -7.8928 -7.8278 -7.8277 -4.3476 -4.3466 -3.8109 -3.8090 -3.4032 -3.4016 -2.3199 -2.3199 -0.6274 -0.6228 -0.5288 -0.5193 -0.4969 -0.4913 -0.2914 -0.2784 -0.1579 -0.1365 0.5838 0.5888 0.6792 0.6859 0.9687 0.9782 1.1061 1.1144 1.7385 1.7413 1.7740 1.7775 9.8139 9.8140 9.8664 9.8666 10.3034 10.3038 12.5174 12.5178 12.7932 12.7942 k = 0.5442 0.1889-0.1205 ( 8809 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4748 -24.4748 -18.4500 -18.4500 -18.4476 -18.4476 -16.8956 -16.8956 -15.0621 -15.0620 -15.0244 -15.0244 -8.1436 -8.1428 -7.8927 -7.8919 -7.8268 -7.8267 -4.3376 -4.3366 -3.8138 -3.8120 -3.4546 -3.4531 -2.3318 -2.3317 -0.6131 -0.6088 -0.5382 -0.5362 -0.5001 -0.4821 -0.2883 -0.2755 -0.1612 -0.1399 0.5855 0.5900 0.6708 0.6770 1.0007 1.0094 1.1147 1.1223 1.7520 1.7544 1.7867 1.7898 9.8027 9.8028 9.8433 9.8435 10.2865 10.2868 12.5324 12.5329 12.7723 12.7730 k = 0.5402 0.1875-0.0997 ( 8813 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4752 -24.4752 -18.4506 -18.4506 -18.4474 -18.4474 -16.9049 -16.9049 -15.0499 -15.0498 -15.0190 -15.0189 -8.1427 -8.1420 -7.8918 -7.8910 -7.8258 -7.8258 -4.3266 -4.3257 -3.8154 -3.8138 -3.5044 -3.5030 -2.3427 -2.3427 -0.6005 -0.5965 -0.5700 -0.5686 -0.4763 -0.4582 -0.2855 -0.2731 -0.1651 -0.1440 0.5868 0.5907 0.6622 0.6677 1.0299 1.0379 1.1232 1.1300 1.7658 1.7678 1.7988 1.8015 9.7904 9.7904 9.8217 9.8219 10.2734 10.2737 12.5475 12.5479 12.7520 12.7526 k = 0.5362 0.1861-0.0789 ( 8808 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4756 -24.4756 -18.4512 -18.4512 -18.4471 -18.4471 -16.9133 -16.9133 -15.0388 -15.0388 -15.0139 -15.0139 -8.1419 -8.1413 -7.8909 -7.8902 -7.8250 -7.8249 -4.3146 -4.3138 -3.8161 -3.8147 -3.5522 -3.5508 -2.3527 -2.3527 -0.6007 -0.6003 -0.5886 -0.5854 -0.4521 -0.4335 -0.2831 -0.2712 -0.1698 -0.1488 0.5877 0.5909 0.6537 0.6585 1.0561 1.0633 1.1315 1.1375 1.7796 1.7814 1.8101 1.8124 9.7774 9.7775 9.8018 9.8019 10.2636 10.2639 12.5625 12.5628 12.7329 12.7333 k = 0.5322 0.1847-0.0581 ( 8813 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4759 -24.4759 -18.4518 -18.4518 -18.4467 -18.4467 -16.9209 -16.9209 -15.0288 -15.0288 -15.0093 -15.0092 -8.1411 -8.1406 -7.8901 -7.8894 -7.8242 -7.8242 -4.3019 -4.3011 -3.8161 -3.8148 -3.5976 -3.5963 -2.3617 -2.3617 -0.6289 -0.6283 -0.5792 -0.5760 -0.4283 -0.4091 -0.2810 -0.2697 -0.1752 -0.1545 0.5882 0.5907 0.6456 0.6497 1.0790 1.0854 1.1397 1.1448 1.7933 1.7948 1.8206 1.8225 9.7643 9.7643 9.7835 9.7837 10.2566 10.2569 12.5769 12.5773 12.7151 12.7155 k = 0.5281 0.1833-0.0373 ( 8803 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4762 -24.4762 -18.4523 -18.4523 -18.4465 -18.4465 -16.9276 -16.9276 -15.0200 -15.0200 -15.0051 -15.0051 -8.1405 -8.1400 -7.8894 -7.8888 -7.8235 -7.8234 -4.2884 -4.2877 -3.8156 -3.8145 -3.6404 -3.6392 -2.3697 -2.3697 -0.6545 -0.6540 -0.5707 -0.5679 -0.4052 -0.3852 -0.2792 -0.2685 -0.1815 -0.1612 0.5882 0.5900 0.6382 0.6415 1.0986 1.1041 1.1475 1.1517 1.8064 1.8077 1.8302 1.8318 9.7515 9.7515 9.7672 9.7673 10.2519 10.2522 12.5907 12.5909 12.6990 12.6993 k = 0.5241 0.1819-0.0165 ( 8793 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4765 -24.4765 -18.4528 -18.4528 -18.4462 -18.4462 -16.9334 -16.9334 -15.0123 -15.0123 -15.0014 -15.0014 -8.1399 -8.1394 -7.8887 -7.8882 -7.8228 -7.8228 -4.2745 -4.2738 -3.8148 -3.8138 -3.6800 -3.6789 -2.3767 -2.3766 -0.6770 -0.6767 -0.5634 -0.5610 -0.3829 -0.3621 -0.2776 -0.2675 -0.1887 -0.1689 0.5877 0.5888 0.6319 0.6343 1.1149 1.1194 1.1551 1.1582 1.8186 1.8197 1.8388 1.8400 9.7395 9.7395 9.7528 9.7529 10.2489 10.2492 12.6033 12.6036 12.6846 12.6848 k = 0.5201 0.1805 0.0043 ( 8785 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4767 -24.4767 -18.4532 -18.4532 -18.4460 -18.4460 -16.9383 -16.9383 -15.0058 -15.0058 -14.9983 -14.9982 -8.1394 -8.1390 -7.8882 -7.8878 -7.8223 -7.8223 -4.2606 -4.2600 -3.8138 -3.8130 -3.7158 -3.7148 -2.3826 -2.3826 -0.6965 -0.6961 -0.5572 -0.5552 -0.3616 -0.3400 -0.2764 -0.2667 -0.1969 -0.1776 0.5868 0.5872 0.6267 0.6283 1.1280 1.1314 1.1623 1.1643 1.8294 1.8303 1.8465 1.8474 9.7287 9.7288 9.7405 9.7406 10.2472 10.2474 12.6147 12.6149 12.6721 12.6723 k = 0.5161 0.1791 0.0251 ( 8781 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4769 -24.4769 -18.4536 -18.4536 -18.4458 -18.4458 -16.9424 -16.9424 -15.0004 -15.0004 -14.9956 -14.9956 -8.1389 -8.1386 -7.8877 -7.8874 -7.8218 -7.8218 -4.2474 -4.2468 -3.8129 -3.8123 -3.7471 -3.7463 -2.3875 -2.3874 -0.7125 -0.7123 -0.5522 -0.5506 -0.3417 -0.3190 -0.2754 -0.2659 -0.2059 -0.1875 0.5853 0.5854 0.6227 0.6236 1.1380 1.1404 1.1688 1.1700 1.8385 1.8392 1.8532 1.8537 9.7195 9.7195 9.7302 9.7303 10.2463 10.2465 12.6244 12.6246 12.6617 12.6619 k = 0.5121 0.1777 0.0459 ( 8779 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4771 -24.4771 -18.4538 -18.4538 -18.4456 -18.4456 -16.9455 -16.9455 -14.9963 -14.9963 -14.9936 -14.9935 -8.1386 -8.1384 -7.8873 -7.8871 -7.8215 -7.8215 -4.2355 -4.2351 -3.8123 -3.8118 -3.7729 -3.7722 -2.3913 -2.3912 -0.7252 -0.7250 -0.5483 -0.5471 -0.3233 -0.2997 -0.2747 -0.2647 -0.2156 -0.1984 0.5834 0.5838 0.6199 0.6203 1.1452 1.1469 1.1743 1.1748 1.8456 1.8461 1.8588 1.8591 9.7120 9.7121 9.7222 9.7223 10.2460 10.2461 12.6323 12.6324 12.6535 12.6536 k = 0.5080 0.1763 0.0667 ( 8782 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4772 -24.4772 -18.4540 -18.4540 -18.4455 -18.4455 -16.9478 -16.9478 -14.9933 -14.9933 -14.9921 -14.9920 -8.1383 -8.1382 -7.8870 -7.8869 -7.8212 -7.8212 -4.2259 -4.2256 -3.8124 -3.8121 -3.7917 -3.7912 -2.3940 -2.3940 -0.7342 -0.7341 -0.5455 -0.5447 -0.3070 -0.2844 -0.2727 -0.2629 -0.2254 -0.2104 0.5818 0.5823 0.6180 0.6181 1.1501 1.1511 1.1784 1.1786 1.8505 1.8509 1.8632 1.8632 9.7066 9.7066 9.7165 9.7165 10.2459 10.2460 12.6381 12.6381 12.6476 12.6477 k = 0.5040 0.1749 0.0875 ( 8773 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4772 -24.4772 -18.4542 -18.4542 -18.4455 -18.4455 -16.9491 -16.9491 -14.9915 -14.9915 -14.9911 -14.9911 -8.1382 -8.1381 -7.8869 -7.8868 -7.8211 -7.8211 -4.2196 -4.2194 -3.8141 -3.8140 -3.8017 -3.8015 -2.3956 -2.3956 -0.7397 -0.7396 -0.5437 -0.5433 -0.2940 -0.2811 -0.2632 -0.2601 -0.2335 -0.2228 0.5809 0.5811 0.6169 0.6169 1.1530 1.1535 1.1810 1.1810 1.8534 1.8536 1.8659 1.8659 9.7032 9.7033 9.7130 9.7130 10.2459 10.2459 12.6416 12.6416 12.6440 12.6440 k = 0.5000 0.1735 0.1083 ( 8782 PWs) bands (ev): -94.3090 -94.3090 -94.3083 -94.3083 -24.4773 -24.4773 -18.4542 -18.4542 -18.4455 -18.4455 -16.9496 -16.9496 -14.9910 -14.9910 -14.9908 -14.9908 -8.1381 -8.1381 -7.8868 -7.8868 -7.8210 -7.8210 -4.2174 -4.2174 -3.8157 -3.8157 -3.8040 -3.8040 -2.3962 -2.3962 -0.7415 -0.7415 -0.5430 -0.5430 -0.2852 -0.2852 -0.2576 -0.2576 -0.2332 -0.2332 0.5806 0.5806 0.6166 0.6166 1.1541 1.1541 1.1818 1.1818 1.8544 1.8544 1.8668 1.8668 9.7021 9.7021 9.7119 9.7119 10.2459 10.2459 12.6427 12.6427 12.6430 12.6430 k = 0.5000-0.6335-0.3952 ( 8822 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4605 -18.4605 -18.4296 -18.4296 -16.4778 -16.4778 -15.5824 -15.5824 -15.1776 -15.1776 -8.1745 -8.1745 -7.9249 -7.9249 -7.8540 -7.8540 -4.4779 -4.4779 -2.9400 -2.9400 -2.2671 -2.2671 -1.9656 -1.9656 -1.5109 -1.5109 -1.2911 -1.2911 -0.4028 -0.4028 -0.2976 -0.2976 0.1972 0.1972 0.5207 0.5207 0.6633 0.6633 0.7338 0.7338 1.1540 1.1540 1.2460 1.2460 1.5902 1.5902 9.6530 9.6530 10.8138 10.8138 11.2335 11.2335 12.3005 12.3005 12.5581 12.5581 k = 0.5170-0.6239-0.3892 ( 8823 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4605 -18.4605 -18.4296 -18.4296 -16.4778 -16.4778 -15.5823 -15.5823 -15.1776 -15.1776 -8.1746 -8.1744 -7.9250 -7.9248 -7.8541 -7.8539 -4.4779 -4.4779 -2.9402 -2.9402 -2.2671 -2.2670 -1.9652 -1.9651 -1.5110 -1.5107 -1.2911 -1.2909 -0.4034 -0.4033 -0.2984 -0.2976 0.1970 0.1974 0.5178 0.5202 0.6620 0.6673 0.7319 0.7355 1.1528 1.1547 1.2457 1.2477 1.5903 1.5906 9.6536 9.6536 10.8124 10.8124 11.2347 11.2347 12.3016 12.3018 12.5573 12.5576 k = 0.5339-0.6142-0.3831 ( 8822 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4605 -18.4605 -18.4296 -18.4296 -16.4780 -16.4780 -15.5822 -15.5822 -15.1775 -15.1775 -8.1746 -8.1743 -7.9250 -7.9246 -7.8542 -7.8538 -4.4779 -4.4779 -2.9409 -2.9408 -2.2669 -2.2668 -1.9638 -1.9637 -1.5109 -1.5104 -1.2907 -1.2902 -0.4050 -0.4047 -0.2998 -0.2982 0.1969 0.1976 0.5119 0.5162 0.6632 0.6736 0.7298 0.7371 1.1512 1.1549 1.2469 1.2506 1.5910 1.5915 9.6553 9.6554 10.8081 10.8081 11.2382 11.2383 12.3052 12.3056 12.5554 12.5561 k = 0.5509-0.6046-0.3771 ( 8818 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4605 -18.4605 -18.4295 -18.4295 -16.4782 -16.4782 -15.5819 -15.5819 -15.1775 -15.1775 -8.1746 -8.1741 -7.9251 -7.9245 -7.8542 -7.8537 -4.4780 -4.4779 -2.9421 -2.9419 -2.2667 -2.2665 -1.9614 -1.9613 -1.5108 -1.5101 -1.2900 -1.2893 -0.4076 -0.4072 -0.3019 -0.2995 0.1968 0.1979 0.5034 0.5093 0.6664 0.6816 0.7273 0.7386 1.1493 1.1547 1.2494 1.2547 1.5921 1.5930 9.6581 9.6583 10.8010 10.8011 11.2441 11.2443 12.3111 12.3117 12.5526 12.5534 k = 0.5679-0.5949-0.3711 ( 8811 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4606 -18.4606 -18.4294 -18.4294 -16.4785 -16.4785 -15.5816 -15.5816 -15.1774 -15.1774 -8.1746 -8.1740 -7.9251 -7.9243 -7.8543 -7.8536 -4.4780 -4.4779 -2.9437 -2.9434 -2.2664 -2.2662 -1.9582 -1.9580 -1.5106 -1.5096 -1.2889 -1.2880 -0.4112 -0.4107 -0.3046 -0.3015 0.1968 0.1982 0.4931 0.5000 0.6707 0.6906 0.7247 0.7402 1.1474 1.1541 1.2531 1.2597 1.5937 1.5949 9.6621 9.6624 10.7913 10.7914 11.2523 11.2526 12.3192 12.3199 12.5490 12.5500 k = 0.5848-0.5853-0.3651 ( 8806 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4607 -18.4607 -18.4293 -18.4293 -16.4789 -16.4789 -15.5812 -15.5812 -15.1773 -15.1773 -8.1745 -8.1738 -7.9251 -7.9241 -7.8543 -7.8535 -4.4780 -4.4779 -2.9457 -2.9454 -2.2660 -2.2658 -1.9541 -1.9539 -1.5103 -1.5091 -1.2875 -1.2863 -0.4156 -0.4150 -0.3080 -0.3041 0.1969 0.1986 0.4814 0.4891 0.6754 0.6999 0.7223 0.7422 1.1455 1.1533 1.2579 1.2655 1.5958 1.5972 9.6672 9.6675 10.7791 10.7792 11.2627 11.2631 12.3291 12.3300 12.5447 12.5458 k = 0.6018-0.5757-0.3591 ( 8806 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4608 -18.4608 -18.4292 -18.4292 -16.4794 -16.4794 -15.5807 -15.5807 -15.1772 -15.1772 -8.1745 -8.1735 -7.9250 -7.9239 -7.8544 -7.8534 -4.4781 -4.4778 -2.9481 -2.9478 -2.2656 -2.2653 -1.9492 -1.9489 -1.5099 -1.5084 -1.2857 -1.2843 -0.4208 -0.4201 -0.3120 -0.3075 0.1971 0.1990 0.4688 0.4769 0.6797 0.7074 0.7218 0.7448 1.1439 1.1524 1.2634 1.2718 1.5984 1.6000 9.6733 9.6736 10.7647 10.7648 11.2754 11.2758 12.3408 12.3418 12.5399 12.5411 k = 0.6188-0.5660-0.3531 ( 8804 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4610 -18.4610 -18.4291 -18.4291 -16.4800 -16.4800 -15.5801 -15.5801 -15.1771 -15.1771 -8.1744 -8.1733 -7.9249 -7.9237 -7.8544 -7.8533 -4.4781 -4.4778 -2.9510 -2.9506 -2.2651 -2.2647 -1.9436 -1.9432 -1.5094 -1.5077 -1.2836 -1.2820 -0.4267 -0.4258 -0.3166 -0.3115 0.1974 0.1996 0.4556 0.4639 0.6831 0.7087 0.7271 0.7482 1.1425 1.1517 1.2696 1.2786 1.6013 1.6031 9.6803 9.6807 10.7483 10.7484 11.2901 11.2906 12.3537 12.3548 12.5348 12.5360 k = 0.6358-0.5564-0.3471 ( 8814 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4622 -24.4622 -18.4611 -18.4611 -18.4289 -18.4289 -16.4807 -16.4807 -15.5794 -15.5793 -15.1770 -15.1770 -8.1742 -8.1731 -7.9248 -7.9234 -7.8544 -7.8532 -4.4781 -4.4778 -2.9542 -2.9538 -2.2645 -2.2641 -1.9373 -1.9369 -1.5088 -1.5068 -1.2812 -1.2794 -0.4332 -0.4322 -0.3219 -0.3161 0.1979 0.2002 0.4420 0.4504 0.6853 0.7058 0.7362 0.7524 1.1415 1.1511 1.2763 1.2856 1.6045 1.6065 9.6883 9.6887 10.7301 10.7303 11.3069 11.3074 12.3676 12.3688 12.5295 12.5307 k = 0.6527-0.5467-0.3410 ( 8822 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4613 -18.4613 -18.4287 -18.4287 -16.4815 -16.4815 -15.5786 -15.5785 -15.1768 -15.1768 -8.1741 -8.1728 -7.9247 -7.9232 -7.8544 -7.8531 -4.4781 -4.4778 -2.9578 -2.9573 -2.2640 -2.2636 -1.9305 -1.9300 -1.5081 -1.5058 -1.2785 -1.2764 -0.4401 -0.4390 -0.3276 -0.3213 0.1986 0.2010 0.4281 0.4366 0.6860 0.7017 0.7460 0.7574 1.1409 1.1509 1.2833 1.2929 1.6081 1.6102 9.6970 9.6975 10.7104 10.7106 11.3255 11.3260 12.3821 12.3833 12.5241 12.5252 k = 0.6697-0.5371-0.3350 ( 8819 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4615 -18.4615 -18.4285 -18.4285 -16.4823 -16.4823 -15.5777 -15.5777 -15.1766 -15.1766 -8.1739 -8.1726 -7.9246 -7.9230 -7.8544 -7.8530 -4.4781 -4.4778 -2.9618 -2.9612 -2.2634 -2.2630 -1.9232 -1.9227 -1.5072 -1.5047 -1.2754 -1.2731 -0.4472 -0.4461 -0.3339 -0.3271 0.1994 0.2019 0.4143 0.4227 0.6855 0.6969 0.7557 0.7631 1.1407 1.1509 1.2905 1.3003 1.6118 1.6141 9.7065 9.7070 10.6894 10.6897 11.3458 11.3464 12.3967 12.3980 12.5186 12.5196 k = 0.6867-0.5275-0.3290 ( 8813 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4617 -18.4617 -18.4283 -18.4283 -16.4833 -16.4833 -15.5767 -15.5767 -15.1764 -15.1764 -8.1737 -8.1723 -7.9244 -7.9227 -7.8543 -7.8529 -4.4781 -4.4778 -2.9661 -2.9655 -2.2629 -2.2624 -1.9156 -1.9150 -1.5061 -1.5034 -1.2720 -1.2694 -0.4546 -0.4533 -0.3406 -0.3335 0.2005 0.2030 0.4005 0.4088 0.6839 0.6918 0.7651 0.7692 1.1409 1.1513 1.2979 1.3077 1.6158 1.6181 9.7166 9.7171 10.6675 10.6677 11.3677 11.3683 12.4111 12.4124 12.5133 12.5141 k = 0.7036-0.5178-0.3230 ( 8807 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4620 -18.4620 -18.4280 -18.4280 -16.4843 -16.4843 -15.5756 -15.5756 -15.1762 -15.1762 -8.1735 -8.1721 -7.9242 -7.9225 -7.8543 -7.8528 -4.4781 -4.4777 -2.9707 -2.9701 -2.2624 -2.2619 -1.9078 -1.9072 -1.5050 -1.5020 -1.2682 -1.2654 -0.4619 -0.4606 -0.3477 -0.3403 0.2018 0.2043 0.3869 0.3950 0.6814 0.6864 0.7735 0.7759 1.1415 1.1520 1.3053 1.3150 1.6198 1.6221 9.7271 9.7277 10.6448 10.6450 11.3908 11.3915 12.4245 12.4259 12.5082 12.5088 k = 0.7206-0.5082-0.3170 ( 8799 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4623 -18.4623 -18.4277 -18.4277 -16.4854 -16.4854 -15.5744 -15.5744 -15.1760 -15.1760 -8.1733 -8.1719 -7.9240 -7.9223 -7.8542 -7.8528 -4.4781 -4.4777 -2.9757 -2.9749 -2.2620 -2.2615 -1.9000 -1.8993 -1.5036 -1.5005 -1.2641 -1.2610 -0.4691 -0.4677 -0.3552 -0.3475 0.2034 0.2058 0.3736 0.3815 0.6780 0.6808 0.7805 0.7835 1.1425 1.1531 1.3126 1.3223 1.6239 1.6262 9.7381 9.7386 10.6215 10.6217 11.4151 11.4158 12.4365 12.4379 12.5037 12.5042 k = 0.7376-0.4985-0.3110 ( 8798 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4623 -24.4623 -18.4626 -18.4626 -18.4274 -18.4274 -16.4866 -16.4866 -15.5732 -15.5731 -15.1757 -15.1757 -8.1731 -8.1716 -7.9238 -7.9220 -7.8541 -7.8527 -4.4780 -4.4776 -2.9809 -2.9801 -2.2617 -2.2611 -1.8922 -1.8915 -1.5021 -1.4987 -1.2596 -1.2562 -0.4761 -0.4746 -0.3628 -0.3551 0.2052 0.2074 0.3607 0.3683 0.6738 0.6753 0.7866 0.7913 1.1437 1.1543 1.3199 1.3295 1.6279 1.6303 9.7492 9.7498 10.5978 10.5981 11.4402 11.4409 12.4461 12.4475 12.5005 12.5010 k = 0.7545-0.4889-0.3050 ( 8796 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4624 -24.4624 -18.4629 -18.4629 -18.4270 -18.4270 -16.4878 -16.4878 -15.5718 -15.5718 -15.1755 -15.1755 -8.1728 -8.1714 -7.9236 -7.9218 -7.8541 -7.8526 -4.4779 -4.4775 -2.9864 -2.9856 -2.2614 -2.2608 -1.8848 -1.8840 -1.5004 -1.4968 -1.2547 -1.2511 -0.4826 -0.4811 -0.3706 -0.3628 0.2072 0.2093 0.3483 0.3555 0.6683 0.6704 0.7924 0.7986 1.1453 1.1558 1.3270 1.3364 1.6319 1.6342 9.7604 9.7610 10.5740 10.5743 11.4659 11.4665 12.4521 12.4535 12.4995 12.4999 k = 0.7715-0.4792-0.2990 ( 8797 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4624 -24.4624 -18.4632 -18.4632 -18.4267 -18.4267 -16.4892 -16.4891 -15.5703 -15.5703 -15.1752 -15.1752 -8.1726 -8.1712 -7.9234 -7.9217 -7.8540 -7.8526 -4.4778 -4.4774 -2.9922 -2.9913 -2.2613 -2.2607 -1.8778 -1.8770 -1.4984 -1.4947 -1.2493 -1.2455 -0.4887 -0.4871 -0.3784 -0.3706 0.2093 0.2113 0.3364 0.3433 0.6622 0.6656 0.7977 0.8053 1.1470 1.1574 1.3339 1.3431 1.6357 1.6380 9.7715 9.7721 10.5503 10.5506 11.4917 11.4923 12.4538 12.4550 12.5013 12.5017 k = 0.7885-0.4696-0.2929 ( 8804 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4624 -24.4624 -18.4636 -18.4636 -18.4263 -18.4263 -16.4906 -16.4906 -15.5688 -15.5688 -15.1749 -15.1749 -8.1724 -8.1710 -7.9231 -7.9215 -7.8538 -7.8526 -4.4777 -4.4773 -2.9982 -2.9972 -2.2613 -2.2606 -1.8714 -1.8705 -1.4963 -1.4924 -1.2435 -1.2395 -0.4942 -0.4926 -0.3861 -0.3784 0.2115 0.2136 0.3251 0.3317 0.6560 0.6605 0.8026 0.8115 1.1488 1.1592 1.3406 1.3496 1.6394 1.6416 9.7824 9.7829 10.5267 10.5270 11.5173 11.5178 12.4518 12.4527 12.5054 12.5057 k = 0.8054-0.4600-0.2869 ( 8808 PWs) bands (ev): -94.3088 -94.3088 -94.3085 -94.3085 -24.4624 -24.4624 -18.4640 -18.4640 -18.4259 -18.4259 -16.4920 -16.4920 -15.5672 -15.5672 -15.1746 -15.1746 -8.1721 -8.1708 -7.9229 -7.9213 -7.8537 -7.8525 -4.4775 -4.4771 -3.0044 -3.0034 -2.2614 -2.2608 -1.8657 -1.8649 -1.4939 -1.4898 -1.2373 -1.2330 -0.4990 -0.4975 -0.3934 -0.3859 0.2137 0.2162 0.3145 0.3208 0.6497 0.6552 0.8071 0.8171 1.1507 1.1609 1.3470 1.3558 1.6428 1.6449 9.7928 9.7933 10.5034 10.5037 11.5423 11.5428 12.4474 12.4479 12.5104 12.5107 Writing output data file KBe2BO3F2.save init_run : 2.63s CPU 2.13s WALL ( 1 calls) electrons : 877.25s CPU 672.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.22s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 877.24s CPU 672.61s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.06s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.06s WALL ( 1 calls) newd : 0.42s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.63s CPU 0.69s WALL ( 287 calls) cegterg : 760.18s CPU 605.92s WALL ( 665 calls) Called by sum_band: Called by *egterg: h_psi : 696.87s CPU 496.21s WALL ( 10604 calls) s_psi : 10.84s CPU 9.52s WALL ( 10604 calls) g_psi : 0.68s CPU 0.70s WALL ( 9652 calls) cdiaghg : 102.90s CPU 102.15s WALL ( 9939 calls) cegterg:over : 19.45s CPU 19.57s WALL ( 9652 calls) cegterg:upda : 19.38s CPU 19.60s WALL ( 9652 calls) cegterg:last : 8.30s CPU 8.30s WALL ( 1526 calls) cdiaghg:chol : 6.05s CPU 5.95s WALL ( 9939 calls) cdiaghg:inve : 4.02s CPU 3.99s WALL ( 9939 calls) cdiaghg:para : 6.14s CPU 6.49s WALL ( 19878 calls) Called by h_psi: h_psi:vloc : 667.55s CPU 469.49s WALL ( 10604 calls) h_psi:vnl : 28.34s CPU 25.85s WALL ( 10604 calls) add_vuspsi : 12.30s CPU 11.15s WALL ( 10604 calls) General routines calbec : 15.97s CPU 14.66s WALL ( 10604 calls) fft : 0.17s CPU 0.14s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 588.71s CPU 398.13s WALL ( 1150160 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.42s CPU 2.05s WALL ( 574 calls) Parallel routines fft_scatter : 128.36s CPU 114.96s WALL ( 1150183 calls) PWSCF : 15m 6.78s CPU 12m 7.74s WALL This run was terminated on: 15:25:55 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=