Program PWSCF v.5.1.1 starts on 23Jul2015 at 16:56: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LaI3.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 36 10 2066 2066 308 Max 37 37 11 2073 2073 315 Sum 1741 1741 487 99297 99297 14923 bravais-lattice index = 14 lattice parameter (alat) = 13.9394 a.u. unit-cell volume = 2079.2410 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.939391 celldm(2)= 1.000000 celldm(3)= 1.365163 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.826915 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.826915 0.562327 0.000000 ) a(3) = ( 0.000000 0.000000 1.365163 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.470523 -0.000000 ) b(2) = ( 0.000000 1.778325 -0.000000 ) b(3) = ( 0.000000 0.000000 0.732513 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential La 3.00 138.90550 La( 1.00) I 7.00 126.90450 I( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6825815 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6825815 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0068421 0.0222291 -0.0000000), wk = 0.0034247 k( 3) = ( 0.0136843 0.0444581 -0.0000000), wk = 0.0034247 k( 4) = ( 0.0205264 0.0666872 -0.0000000), wk = 0.0034247 k( 5) = ( 0.0273685 0.0889162 -0.0000000), wk = 0.0034247 k( 6) = ( 0.0342107 0.1111453 -0.0000000), wk = 0.0034247 k( 7) = ( 0.0410528 0.1333743 -0.0000000), wk = 0.0034247 k( 8) = ( 0.0478949 0.1556034 -0.0000000), wk = 0.0034247 k( 9) = ( 0.0547371 0.1778325 -0.0000000), wk = 0.0034247 k( 10) = ( 0.0615792 0.2000615 -0.0000000), wk = 0.0034247 k( 11) = ( 0.0684214 0.2222906 -0.0000000), wk = 0.0034247 k( 12) = ( 0.0752635 0.2445196 -0.0000000), wk = 0.0034247 k( 13) = ( 0.0821056 0.2667487 -0.0000000), wk = 0.0034247 k( 14) = ( 0.0889478 0.2889777 -0.0000000), wk = 0.0034247 k( 15) = ( 0.0957899 0.3112068 -0.0000000), wk = 0.0034247 k( 16) = ( 0.1026320 0.3334359 -0.0000000), wk = 0.0034247 k( 17) = ( 0.1094742 0.3556649 -0.0000000), wk = 0.0034247 k( 18) = ( 0.1163163 0.3778940 -0.0000000), wk = 0.0034247 k( 19) = ( 0.1231584 0.4001230 -0.0000000), wk = 0.0034247 k( 20) = ( 0.1300006 0.4223521 -0.0000000), wk = 0.0034247 k( 21) = ( 0.1368427 0.4445812 -0.0000000), wk = 0.0034247 k( 22) = ( 0.1436849 0.4668102 -0.0000000), wk = 0.0034247 k( 23) = ( 0.1505270 0.4890393 -0.0000000), wk = 0.0034247 k( 24) = ( 0.1573691 0.5112683 -0.0000000), wk = 0.0034247 k( 25) = ( 0.1642113 0.5334974 -0.0000000), wk = 0.0034247 k( 26) = ( 0.1710534 0.5557265 -0.0000000), wk = 0.0034247 k( 27) = ( 0.1778955 0.5779555 -0.0000000), wk = 0.0034247 k( 28) = ( 0.1847377 0.6001846 -0.0000000), wk = 0.0034247 k( 29) = ( 0.1915798 0.6224136 -0.0000000), wk = 0.0034247 k( 30) = ( 0.1984219 0.6446427 -0.0000000), wk = 0.0034247 k( 31) = ( 0.2052641 0.6668717 -0.0000000), wk = 0.0034247 k( 32) = ( 0.2121062 0.6891008 -0.0000000), wk = 0.0034247 k( 33) = ( 0.2189483 0.7113299 -0.0000000), wk = 0.0034247 k( 34) = ( 0.2257905 0.7335589 -0.0000000), wk = 0.0034247 k( 35) = ( 0.2326326 0.7557880 -0.0000000), wk = 0.0034247 k( 36) = ( 0.2394747 0.7780170 -0.0000000), wk = 0.0034247 k( 37) = ( 0.2463169 0.8002461 -0.0000000), wk = 0.0034247 k( 38) = ( 0.2531590 0.8224752 -0.0000000), wk = 0.0034247 k( 39) = ( 0.2600012 0.8447042 -0.0000000), wk = 0.0034247 k( 40) = ( 0.2668433 0.8669333 -0.0000000), wk = 0.0034247 k( 41) = ( 0.2736854 0.8891623 -0.0000000), wk = 0.0034247 k( 42) = ( 0.2736854 0.8891623 -0.0000000), wk = 0.0034247 k( 43) = ( 0.2508783 0.8891623 -0.0000000), wk = 0.0034247 k( 44) = ( 0.2280712 0.8891623 -0.0000000), wk = 0.0034247 k( 45) = ( 0.2052641 0.8891623 -0.0000000), wk = 0.0034247 k( 46) = ( 0.1824570 0.8891623 -0.0000000), wk = 0.0034247 k( 47) = ( 0.1596498 0.8891623 -0.0000000), wk = 0.0034247 k( 48) = ( 0.1368427 0.8891623 -0.0000000), wk = 0.0034247 k( 49) = ( 0.1140356 0.8891623 -0.0000000), wk = 0.0034247 k( 50) = ( 0.0912285 0.8891623 -0.0000000), wk = 0.0034247 k( 51) = ( 0.0684214 0.8891623 -0.0000000), wk = 0.0034247 k( 52) = ( 0.0456142 0.8891623 -0.0000000), wk = 0.0034247 k( 53) = ( 0.0228071 0.8891623 -0.0000000), wk = 0.0034247 k( 54) = ( 0.0000000 0.8891623 -0.0000000), wk = 0.0034247 k( 55) = ( 0.0000000 0.8891623 -0.0000000), wk = 0.0034247 k( 56) = ( 0.0000000 0.8891623 0.0228910), wk = 0.0034247 k( 57) = ( 0.0000000 0.8891623 0.0457821), wk = 0.0034247 k( 58) = ( 0.0000000 0.8891623 0.0686731), wk = 0.0034247 k( 59) = ( 0.0000000 0.8891623 0.0915642), wk = 0.0034247 k( 60) = ( 0.0000000 0.8891623 0.1144552), wk = 0.0034247 k( 61) = ( 0.0000000 0.8891623 0.1373462), wk = 0.0034247 k( 62) = ( 0.0000000 0.8891623 0.1602373), wk = 0.0034247 k( 63) = ( 0.0000000 0.8891623 0.1831283), wk = 0.0034247 k( 64) = ( 0.0000000 0.8891623 0.2060193), wk = 0.0034247 k( 65) = ( 0.0000000 0.8891623 0.2289104), wk = 0.0034247 k( 66) = ( 0.0000000 0.8891623 0.2518014), wk = 0.0034247 k( 67) = ( 0.0000000 0.8891623 0.2746925), wk = 0.0034247 k( 68) = ( 0.0000000 0.8891623 0.2975835), wk = 0.0034247 k( 69) = ( 0.0000000 0.8891623 0.3204745), wk = 0.0034247 k( 70) = ( 0.0000000 0.8891623 0.3433656), wk = 0.0034247 k( 71) = ( 0.0000000 0.8891623 0.3662566), wk = 0.0034247 k( 72) = ( 0.0000000 0.8891623 0.3662566), wk = 0.0034247 k( 73) = ( 0.0228071 0.8891623 0.3662566), wk = 0.0034247 k( 74) = ( 0.0456142 0.8891623 0.3662566), wk = 0.0034247 k( 75) = ( 0.0684214 0.8891623 0.3662566), wk = 0.0034247 k( 76) = ( 0.0912285 0.8891623 0.3662566), wk = 0.0034247 k( 77) = ( 0.1140356 0.8891623 0.3662566), wk = 0.0034247 k( 78) = ( 0.1368427 0.8891623 0.3662566), wk = 0.0034247 k( 79) = ( 0.1596498 0.8891623 0.3662566), wk = 0.0034247 k( 80) = ( 0.1824570 0.8891623 0.3662566), wk = 0.0034247 k( 81) = ( 0.2052641 0.8891623 0.3662566), wk = 0.0034247 k( 82) = ( 0.2280712 0.8891623 0.3662566), wk = 0.0034247 k( 83) = ( 0.2508783 0.8891623 0.3662566), wk = 0.0034247 k( 84) = ( 0.2736854 0.8891623 0.3662566), wk = 0.0034247 k( 85) = ( 0.2736854 0.8891623 0.3662566), wk = 0.0034247 k( 86) = ( 0.2668433 0.8669333 0.3662566), wk = 0.0034247 k( 87) = ( 0.2600012 0.8447042 0.3662566), wk = 0.0034247 k( 88) = ( 0.2531590 0.8224752 0.3662566), wk = 0.0034247 k( 89) = ( 0.2463169 0.8002461 0.3662566), wk = 0.0034247 k( 90) = ( 0.2394747 0.7780170 0.3662566), wk = 0.0034247 k( 91) = ( 0.2326326 0.7557880 0.3662566), wk = 0.0034247 k( 92) = ( 0.2257905 0.7335589 0.3662566), wk = 0.0034247 k( 93) = ( 0.2189483 0.7113299 0.3662566), wk = 0.0034247 k( 94) = ( 0.2121062 0.6891008 0.3662566), wk = 0.0034247 k( 95) = ( 0.2052641 0.6668717 0.3662566), wk = 0.0034247 k( 96) = ( 0.1984219 0.6446427 0.3662566), wk = 0.0034247 k( 97) = ( 0.1915798 0.6224136 0.3662566), wk = 0.0034247 k( 98) = ( 0.1847377 0.6001846 0.3662566), wk = 0.0034247 k( 99) = ( 0.1778955 0.5779555 0.3662566), wk = 0.0034247 k( 100) = ( 0.1710534 0.5557265 0.3662566), wk = 0.0034247 k( 101) = ( 0.1642113 0.5334974 0.3662566), wk = 0.0034247 k( 102) = ( 0.1573691 0.5112683 0.3662566), wk = 0.0034247 k( 103) = ( 0.1505270 0.4890393 0.3662566), wk = 0.0034247 k( 104) = ( 0.1436849 0.4668102 0.3662566), wk = 0.0034247 k( 105) = ( 0.1368427 0.4445812 0.3662566), wk = 0.0034247 k( 106) = ( 0.1300006 0.4223521 0.3662566), wk = 0.0034247 k( 107) = ( 0.1231584 0.4001230 0.3662566), wk = 0.0034247 k( 108) = ( 0.1163163 0.3778940 0.3662566), wk = 0.0034247 k( 109) = ( 0.1094742 0.3556649 0.3662566), wk = 0.0034247 k( 110) = ( 0.1026320 0.3334359 0.3662566), wk = 0.0034247 k( 111) = ( 0.0957899 0.3112068 0.3662566), wk = 0.0034247 k( 112) = ( 0.0889478 0.2889777 0.3662566), wk = 0.0034247 k( 113) = ( 0.0821056 0.2667487 0.3662566), wk = 0.0034247 k( 114) = ( 0.0752635 0.2445196 0.3662566), wk = 0.0034247 k( 115) = ( 0.0684214 0.2222906 0.3662566), wk = 0.0034247 k( 116) = ( 0.0615792 0.2000615 0.3662566), wk = 0.0034247 k( 117) = ( 0.0547371 0.1778325 0.3662566), wk = 0.0034247 k( 118) = ( 0.0478949 0.1556034 0.3662566), wk = 0.0034247 k( 119) = ( 0.0410528 0.1333743 0.3662566), wk = 0.0034247 k( 120) = ( 0.0342107 0.1111453 0.3662566), wk = 0.0034247 k( 121) = ( 0.0273685 0.0889162 0.3662566), wk = 0.0034247 k( 122) = ( 0.0205264 0.0666872 0.3662566), wk = 0.0034247 k( 123) = ( 0.0136843 0.0444581 0.3662566), wk = 0.0034247 k( 124) = ( 0.0068421 0.0222291 0.3662566), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.3662566), wk = 0.0034247 k( 126) = ( 0.0000000 0.0000000 0.3662566), wk = 0.0034247 k( 127) = ( 0.0000000 0.0000000 0.3433656), wk = 0.0034247 k( 128) = ( 0.0000000 0.0000000 0.3204745), wk = 0.0034247 k( 129) = ( 0.0000000 0.0000000 0.2975835), wk = 0.0034247 k( 130) = ( 0.0000000 0.0000000 0.2746925), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.2518014), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.2289104), wk = 0.0034247 k( 133) = ( 0.0000000 0.0000000 0.2060193), wk = 0.0034247 k( 134) = ( 0.0000000 0.0000000 0.1831283), wk = 0.0034247 k( 135) = ( 0.0000000 0.0000000 0.1602373), wk = 0.0034247 k( 136) = ( 0.0000000 0.0000000 0.1373462), wk = 0.0034247 k( 137) = ( 0.0000000 0.0000000 0.1144552), wk = 0.0034247 k( 138) = ( 0.0000000 0.0000000 0.0915642), wk = 0.0034247 k( 139) = ( 0.0000000 0.0000000 0.0686731), wk = 0.0034247 k( 140) = ( 0.0000000 0.0000000 0.0457821), wk = 0.0034247 k( 141) = ( 0.0000000 0.0000000 0.0228910), wk = 0.0034247 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 144) = ( -0.0217391 0.0066913 0.0000000), wk = 0.0034247 k( 145) = ( -0.0434783 0.0133827 0.0000000), wk = 0.0034247 k( 146) = ( -0.0652174 0.0200740 0.0000000), wk = 0.0034247 k( 147) = ( -0.0869565 0.0267653 0.0000000), wk = 0.0034247 k( 148) = ( -0.1086957 0.0334567 0.0000000), wk = 0.0034247 k( 149) = ( -0.1304348 0.0401480 0.0000000), wk = 0.0034247 k( 150) = ( -0.1521739 0.0468393 0.0000000), wk = 0.0034247 k( 151) = ( -0.1739130 0.0535307 0.0000000), wk = 0.0034247 k( 152) = ( -0.1956522 0.0602220 0.0000000), wk = 0.0034247 k( 153) = ( -0.2173913 0.0669134 0.0000000), wk = 0.0034247 k( 154) = ( -0.2391304 0.0736047 0.0000000), wk = 0.0034247 k( 155) = ( -0.2608696 0.0802960 0.0000000), wk = 0.0034247 k( 156) = ( -0.2826087 0.0869874 0.0000000), wk = 0.0034247 k( 157) = ( -0.3043478 0.0936787 0.0000000), wk = 0.0034247 k( 158) = ( -0.3260870 0.1003700 0.0000000), wk = 0.0034247 k( 159) = ( -0.3478261 0.1070614 0.0000000), wk = 0.0034247 k( 160) = ( -0.3695652 0.1137527 0.0000000), wk = 0.0034247 k( 161) = ( -0.3913044 0.1204440 0.0000000), wk = 0.0034247 k( 162) = ( -0.4130435 0.1271354 0.0000000), wk = 0.0034247 k( 163) = ( -0.4347826 0.1338267 0.0000000), wk = 0.0034247 k( 164) = ( -0.4565217 0.1405180 0.0000000), wk = 0.0034247 k( 165) = ( -0.4782609 0.1472094 0.0000000), wk = 0.0034247 k( 166) = ( -0.5000000 0.1539007 0.0000000), wk = 0.0034247 k( 167) = ( -0.5000000 0.1539007 0.0000000), wk = 0.0034247 k( 168) = ( -0.4931420 0.1761814 -0.0000000), wk = 0.0034247 k( 169) = ( -0.4862840 0.1984620 -0.0000000), wk = 0.0034247 k( 170) = ( -0.4794259 0.2207427 -0.0000000), wk = 0.0034247 k( 171) = ( -0.4725679 0.2430233 -0.0000000), wk = 0.0034247 k( 172) = ( -0.4657099 0.2653040 -0.0000000), wk = 0.0034247 k( 173) = ( -0.4588519 0.2875846 -0.0000000), wk = 0.0034247 k( 174) = ( -0.4519939 0.3098653 -0.0000000), wk = 0.0034247 k( 175) = ( -0.4451359 0.3321460 -0.0000000), wk = 0.0034247 k( 176) = ( -0.4382778 0.3544266 -0.0000000), wk = 0.0034247 k( 177) = ( -0.4314198 0.3767073 -0.0000000), wk = 0.0034247 k( 178) = ( -0.4245618 0.3989879 -0.0000000), wk = 0.0034247 k( 179) = ( -0.4177038 0.4212686 -0.0000000), wk = 0.0034247 k( 180) = ( -0.4108458 0.4435492 -0.0000000), wk = 0.0034247 k( 181) = ( -0.4039878 0.4658299 -0.0000000), wk = 0.0034247 k( 182) = ( -0.3971297 0.4881105 -0.0000000), wk = 0.0034247 k( 183) = ( -0.3902717 0.5103912 -0.0000000), wk = 0.0034247 k( 184) = ( -0.3834137 0.5326718 -0.0000000), wk = 0.0034247 k( 185) = ( -0.3765557 0.5549525 -0.0000000), wk = 0.0034247 k( 186) = ( -0.3696977 0.5772332 -0.0000000), wk = 0.0034247 k( 187) = ( -0.3628397 0.5995138 -0.0000000), wk = 0.0034247 k( 188) = ( -0.3559816 0.6217945 -0.0000000), wk = 0.0034247 k( 189) = ( -0.3491236 0.6440751 -0.0000000), wk = 0.0034247 k( 190) = ( -0.3422656 0.6663558 -0.0000000), wk = 0.0034247 k( 191) = ( -0.3354076 0.6886365 -0.0000000), wk = 0.0034247 k( 192) = ( -0.3285496 0.7109171 -0.0000000), wk = 0.0034247 k( 193) = ( -0.3216915 0.7331977 -0.0000000), wk = 0.0034247 k( 194) = ( -0.3148335 0.7554784 -0.0000000), wk = 0.0034247 k( 195) = ( -0.3079755 0.7777591 -0.0000000), wk = 0.0034247 k( 196) = ( -0.3011175 0.8000397 -0.0000000), wk = 0.0034247 k( 197) = ( -0.2942595 0.8223204 -0.0000000), wk = 0.0034247 k( 198) = ( -0.2874015 0.8446010 -0.0000000), wk = 0.0034247 k( 199) = ( -0.2805435 0.8668817 -0.0000000), wk = 0.0034247 k( 200) = ( -0.2736854 0.8891623 -0.0000000), wk = 0.0034247 k( 201) = ( -0.2736854 0.8891623 -0.0000000), wk = 0.0034247 k( 202) = ( -0.2736854 0.8891623 0.0228910), wk = 0.0034247 k( 203) = ( -0.2736854 0.8891623 0.0457821), wk = 0.0034247 k( 204) = ( -0.2736854 0.8891623 0.0686731), wk = 0.0034247 k( 205) = ( -0.2736854 0.8891623 0.0915642), wk = 0.0034247 k( 206) = ( -0.2736854 0.8891623 0.1144552), wk = 0.0034247 k( 207) = ( -0.2736854 0.8891623 0.1373462), wk = 0.0034247 k( 208) = ( -0.2736854 0.8891623 0.1602373), wk = 0.0034247 k( 209) = ( -0.2736854 0.8891623 0.1831283), wk = 0.0034247 k( 210) = ( -0.2736854 0.8891623 0.2060193), wk = 0.0034247 k( 211) = ( -0.2736854 0.8891623 0.2289104), wk = 0.0034247 k( 212) = ( -0.2736854 0.8891623 0.2518014), wk = 0.0034247 k( 213) = ( -0.2736854 0.8891623 0.2746925), wk = 0.0034247 k( 214) = ( -0.2736854 0.8891623 0.2975835), wk = 0.0034247 k( 215) = ( -0.2736854 0.8891623 0.3204745), wk = 0.0034247 k( 216) = ( -0.2736854 0.8891623 0.3433656), wk = 0.0034247 k( 217) = ( -0.2736854 0.8891623 0.3662566), wk = 0.0034247 k( 218) = ( -0.2736854 0.8891623 0.3662566), wk = 0.0034247 k( 219) = ( -0.2805435 0.8668817 0.3662566), wk = 0.0034247 k( 220) = ( -0.2874015 0.8446010 0.3662566), wk = 0.0034247 k( 221) = ( -0.2942595 0.8223204 0.3662566), wk = 0.0034247 k( 222) = ( -0.3011175 0.8000397 0.3662566), wk = 0.0034247 k( 223) = ( -0.3079755 0.7777591 0.3662566), wk = 0.0034247 k( 224) = ( -0.3148335 0.7554784 0.3662566), wk = 0.0034247 k( 225) = ( -0.3216915 0.7331977 0.3662566), wk = 0.0034247 k( 226) = ( -0.3285496 0.7109171 0.3662566), wk = 0.0034247 k( 227) = ( -0.3354076 0.6886365 0.3662566), wk = 0.0034247 k( 228) = ( -0.3422656 0.6663558 0.3662566), wk = 0.0034247 k( 229) = ( -0.3491236 0.6440751 0.3662566), wk = 0.0034247 k( 230) = ( -0.3559816 0.6217945 0.3662566), wk = 0.0034247 k( 231) = ( -0.3628397 0.5995138 0.3662566), wk = 0.0034247 k( 232) = ( -0.3696977 0.5772332 0.3662566), wk = 0.0034247 k( 233) = ( -0.3765557 0.5549525 0.3662566), wk = 0.0034247 k( 234) = ( -0.3834137 0.5326718 0.3662566), wk = 0.0034247 k( 235) = ( -0.3902717 0.5103912 0.3662566), wk = 0.0034247 k( 236) = ( -0.3971297 0.4881105 0.3662566), wk = 0.0034247 k( 237) = ( -0.4039878 0.4658299 0.3662566), wk = 0.0034247 k( 238) = ( -0.4108458 0.4435492 0.3662566), wk = 0.0034247 k( 239) = ( -0.4177038 0.4212686 0.3662566), wk = 0.0034247 k( 240) = ( -0.4245618 0.3989879 0.3662566), wk = 0.0034247 k( 241) = ( -0.4314198 0.3767073 0.3662566), wk = 0.0034247 k( 242) = ( -0.4382778 0.3544266 0.3662566), wk = 0.0034247 k( 243) = ( -0.4451359 0.3321460 0.3662566), wk = 0.0034247 k( 244) = ( -0.4519939 0.3098653 0.3662566), wk = 0.0034247 k( 245) = ( -0.4588519 0.2875846 0.3662566), wk = 0.0034247 k( 246) = ( -0.4657099 0.2653040 0.3662566), wk = 0.0034247 k( 247) = ( -0.4725679 0.2430233 0.3662566), wk = 0.0034247 k( 248) = ( -0.4794259 0.2207427 0.3662566), wk = 0.0034247 k( 249) = ( -0.4862840 0.1984620 0.3662566), wk = 0.0034247 k( 250) = ( -0.4931420 0.1761814 0.3662566), wk = 0.0034247 k( 251) = ( -0.5000000 0.1539007 0.3662566), wk = 0.0034247 k( 252) = ( -0.5000000 0.1539007 0.3662566), wk = 0.0034247 k( 253) = ( -0.5000000 0.1539007 0.3433656), wk = 0.0034247 k( 254) = ( -0.5000000 0.1539007 0.3204745), wk = 0.0034247 k( 255) = ( -0.5000000 0.1539007 0.2975835), wk = 0.0034247 k( 256) = ( -0.5000000 0.1539007 0.2746925), wk = 0.0034247 k( 257) = ( -0.5000000 0.1539007 0.2518014), wk = 0.0034247 k( 258) = ( -0.5000000 0.1539007 0.2289104), wk = 0.0034247 k( 259) = ( -0.5000000 0.1539007 0.2060193), wk = 0.0034247 k( 260) = ( -0.5000000 0.1539007 0.1831283), wk = 0.0034247 k( 261) = ( -0.5000000 0.1539007 0.1602373), wk = 0.0034247 k( 262) = ( -0.5000000 0.1539007 0.1373462), wk = 0.0034247 k( 263) = ( -0.5000000 0.1539007 0.1144552), wk = 0.0034247 k( 264) = ( -0.5000000 0.1539007 0.0915642), wk = 0.0034247 k( 265) = ( -0.5000000 0.1539007 0.0686731), wk = 0.0034247 k( 266) = ( -0.5000000 0.1539007 0.0457821), wk = 0.0034247 k( 267) = ( -0.5000000 0.1539007 0.0228910), wk = 0.0034247 k( 268) = ( -0.5000000 0.1539007 0.0000000), wk = 0.0034247 k( 269) = ( 0.0000000 0.0000000 0.3662566), wk = 0.0034247 k( 270) = ( -0.0217391 0.0066913 0.3662566), wk = 0.0034247 k( 271) = ( -0.0434783 0.0133827 0.3662566), wk = 0.0034247 k( 272) = ( -0.0652174 0.0200740 0.3662566), wk = 0.0034247 k( 273) = ( -0.0869565 0.0267653 0.3662566), wk = 0.0034247 k( 274) = ( -0.1086957 0.0334567 0.3662566), wk = 0.0034247 k( 275) = ( -0.1304348 0.0401480 0.3662566), wk = 0.0034247 k( 276) = ( -0.1521739 0.0468393 0.3662566), wk = 0.0034247 k( 277) = ( -0.1739130 0.0535307 0.3662566), wk = 0.0034247 k( 278) = ( -0.1956522 0.0602220 0.3662566), wk = 0.0034247 k( 279) = ( -0.2173913 0.0669134 0.3662566), wk = 0.0034247 k( 280) = ( -0.2391304 0.0736047 0.3662566), wk = 0.0034247 k( 281) = ( -0.2608696 0.0802960 0.3662566), wk = 0.0034247 k( 282) = ( -0.2826087 0.0869874 0.3662566), wk = 0.0034247 k( 283) = ( -0.3043478 0.0936787 0.3662566), wk = 0.0034247 k( 284) = ( -0.3260870 0.1003700 0.3662566), wk = 0.0034247 k( 285) = ( -0.3478261 0.1070614 0.3662566), wk = 0.0034247 k( 286) = ( -0.3695652 0.1137527 0.3662566), wk = 0.0034247 k( 287) = ( -0.3913044 0.1204440 0.3662566), wk = 0.0034247 k( 288) = ( -0.4130435 0.1271354 0.3662566), wk = 0.0034247 k( 289) = ( -0.4347826 0.1338267 0.3662566), wk = 0.0034247 k( 290) = ( -0.4565217 0.1405180 0.3662566), wk = 0.0034247 k( 291) = ( -0.4782609 0.1472094 0.3662566), wk = 0.0034247 k( 292) = ( -0.5000000 0.1539007 0.3662566), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0068421 0.0068421 0.0000000), wk = 0.0034247 k( 3) = ( 0.0136843 0.0136843 0.0000000), wk = 0.0034247 k( 4) = ( 0.0205264 0.0205264 0.0000000), wk = 0.0034247 k( 5) = ( 0.0273685 0.0273685 0.0000000), wk = 0.0034247 k( 6) = ( 0.0342107 0.0342107 0.0000000), wk = 0.0034247 k( 7) = ( 0.0410528 0.0410528 0.0000000), wk = 0.0034247 k( 8) = ( 0.0478949 0.0478949 0.0000000), wk = 0.0034247 k( 9) = ( 0.0547371 0.0547371 0.0000000), wk = 0.0034247 k( 10) = ( 0.0615792 0.0615792 0.0000000), wk = 0.0034247 k( 11) = ( 0.0684214 0.0684214 0.0000000), wk = 0.0034247 k( 12) = ( 0.0752635 0.0752635 0.0000000), wk = 0.0034247 k( 13) = ( 0.0821056 0.0821056 0.0000000), wk = 0.0034247 k( 14) = ( 0.0889478 0.0889478 0.0000000), wk = 0.0034247 k( 15) = ( 0.0957899 0.0957899 0.0000000), wk = 0.0034247 k( 16) = ( 0.1026320 0.1026320 -0.0000000), wk = 0.0034247 k( 17) = ( 0.1094742 0.1094742 0.0000000), wk = 0.0034247 k( 18) = ( 0.1163163 0.1163163 0.0000000), wk = 0.0034247 k( 19) = ( 0.1231584 0.1231584 0.0000000), wk = 0.0034247 k( 20) = ( 0.1300006 0.1300006 0.0000000), wk = 0.0034247 k( 21) = ( 0.1368427 0.1368427 0.0000000), wk = 0.0034247 k( 22) = ( 0.1436849 0.1436848 0.0000000), wk = 0.0034247 k( 23) = ( 0.1505270 0.1505270 0.0000000), wk = 0.0034247 k( 24) = ( 0.1573691 0.1573691 0.0000000), wk = 0.0034247 k( 25) = ( 0.1642113 0.1642113 0.0000000), wk = 0.0034247 k( 26) = ( 0.1710534 0.1710534 0.0000000), wk = 0.0034247 k( 27) = ( 0.1778955 0.1778955 -0.0000000), wk = 0.0034247 k( 28) = ( 0.1847377 0.1847377 0.0000000), wk = 0.0034247 k( 29) = ( 0.1915798 0.1915798 0.0000000), wk = 0.0034247 k( 30) = ( 0.1984219 0.1984219 0.0000000), wk = 0.0034247 k( 31) = ( 0.2052641 0.2052641 0.0000000), wk = 0.0034247 k( 32) = ( 0.2121062 0.2121062 0.0000000), wk = 0.0034247 k( 33) = ( 0.2189483 0.2189483 0.0000000), wk = 0.0034247 k( 34) = ( 0.2257905 0.2257905 0.0000000), wk = 0.0034247 k( 35) = ( 0.2326326 0.2326326 0.0000000), wk = 0.0034247 k( 36) = ( 0.2394747 0.2394747 -0.0000000), wk = 0.0034247 k( 37) = ( 0.2463169 0.2463169 0.0000000), wk = 0.0034247 k( 38) = ( 0.2531590 0.2531590 0.0000000), wk = 0.0034247 k( 39) = ( 0.2600012 0.2600012 0.0000000), wk = 0.0034247 k( 40) = ( 0.2668433 0.2668433 0.0000000), wk = 0.0034247 k( 41) = ( 0.2736854 0.2736854 0.0000000), wk = 0.0034247 k( 42) = ( 0.2736854 0.2736854 0.0000000), wk = 0.0034247 k( 43) = ( 0.2508783 0.2925450 0.0000000), wk = 0.0034247 k( 44) = ( 0.2280712 0.3114045 0.0000000), wk = 0.0034247 k( 45) = ( 0.2052641 0.3302641 0.0000000), wk = 0.0034247 k( 46) = ( 0.1824570 0.3491236 0.0000000), wk = 0.0034247 k( 47) = ( 0.1596498 0.3679832 0.0000000), wk = 0.0034247 k( 48) = ( 0.1368427 0.3868427 0.0000000), wk = 0.0034247 k( 49) = ( 0.1140356 0.4057023 0.0000000), wk = 0.0034247 k( 50) = ( 0.0912285 0.4245618 0.0000000), wk = 0.0034247 k( 51) = ( 0.0684214 0.4434214 0.0000000), wk = 0.0034247 k( 52) = ( 0.0456142 0.4622809 0.0000000), wk = 0.0034247 k( 53) = ( 0.0228071 0.4811404 0.0000000), wk = 0.0034247 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 56) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0034247 k( 57) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0034247 k( 58) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0034247 k( 59) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0034247 k( 60) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0034247 k( 61) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0034247 k( 62) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0034247 k( 63) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0034247 k( 64) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0034247 k( 65) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0034247 k( 66) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0034247 k( 67) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0034247 k( 68) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0034247 k( 69) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0034247 k( 70) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0034247 k( 71) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 72) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 73) = ( 0.0228071 0.4811404 0.5000000), wk = 0.0034247 k( 74) = ( 0.0456142 0.4622809 0.5000000), wk = 0.0034247 k( 75) = ( 0.0684214 0.4434214 0.5000000), wk = 0.0034247 k( 76) = ( 0.0912285 0.4245618 0.5000000), wk = 0.0034247 k( 77) = ( 0.1140356 0.4057023 0.5000000), wk = 0.0034247 k( 78) = ( 0.1368427 0.3868427 0.5000000), wk = 0.0034247 k( 79) = ( 0.1596498 0.3679832 0.5000000), wk = 0.0034247 k( 80) = ( 0.1824570 0.3491236 0.5000000), wk = 0.0034247 k( 81) = ( 0.2052641 0.3302641 0.5000000), wk = 0.0034247 k( 82) = ( 0.2280712 0.3114045 0.5000000), wk = 0.0034247 k( 83) = ( 0.2508783 0.2925450 0.5000000), wk = 0.0034247 k( 84) = ( 0.2736854 0.2736854 0.5000000), wk = 0.0034247 k( 85) = ( 0.2736854 0.2736854 0.5000000), wk = 0.0034247 k( 86) = ( 0.2668433 0.2668433 0.5000000), wk = 0.0034247 k( 87) = ( 0.2600012 0.2600012 0.5000000), wk = 0.0034247 k( 88) = ( 0.2531590 0.2531590 0.5000000), wk = 0.0034247 k( 89) = ( 0.2463169 0.2463169 0.5000000), wk = 0.0034247 k( 90) = ( 0.2394747 0.2394747 0.5000000), wk = 0.0034247 k( 91) = ( 0.2326326 0.2326326 0.5000000), wk = 0.0034247 k( 92) = ( 0.2257905 0.2257905 0.5000000), wk = 0.0034247 k( 93) = ( 0.2189483 0.2189483 0.5000000), wk = 0.0034247 k( 94) = ( 0.2121062 0.2121062 0.5000000), wk = 0.0034247 k( 95) = ( 0.2052641 0.2052641 0.5000000), wk = 0.0034247 k( 96) = ( 0.1984219 0.1984219 0.5000000), wk = 0.0034247 k( 97) = ( 0.1915798 0.1915798 0.5000000), wk = 0.0034247 k( 98) = ( 0.1847377 0.1847377 0.5000000), wk = 0.0034247 k( 99) = ( 0.1778955 0.1778955 0.5000000), wk = 0.0034247 k( 100) = ( 0.1710534 0.1710534 0.5000000), wk = 0.0034247 k( 101) = ( 0.1642113 0.1642113 0.5000000), wk = 0.0034247 k( 102) = ( 0.1573691 0.1573691 0.5000000), wk = 0.0034247 k( 103) = ( 0.1505270 0.1505270 0.5000000), wk = 0.0034247 k( 104) = ( 0.1436849 0.1436848 0.5000000), wk = 0.0034247 k( 105) = ( 0.1368427 0.1368427 0.5000000), wk = 0.0034247 k( 106) = ( 0.1300006 0.1300006 0.5000000), wk = 0.0034247 k( 107) = ( 0.1231584 0.1231584 0.5000000), wk = 0.0034247 k( 108) = ( 0.1163163 0.1163163 0.5000000), wk = 0.0034247 k( 109) = ( 0.1094742 0.1094742 0.5000000), wk = 0.0034247 k( 110) = ( 0.1026320 0.1026320 0.5000000), wk = 0.0034247 k( 111) = ( 0.0957899 0.0957899 0.5000000), wk = 0.0034247 k( 112) = ( 0.0889478 0.0889478 0.5000000), wk = 0.0034247 k( 113) = ( 0.0821056 0.0821056 0.5000000), wk = 0.0034247 k( 114) = ( 0.0752635 0.0752635 0.5000000), wk = 0.0034247 k( 115) = ( 0.0684214 0.0684214 0.5000000), wk = 0.0034247 k( 116) = ( 0.0615792 0.0615792 0.5000000), wk = 0.0034247 k( 117) = ( 0.0547371 0.0547371 0.5000000), wk = 0.0034247 k( 118) = ( 0.0478949 0.0478949 0.5000000), wk = 0.0034247 k( 119) = ( 0.0410528 0.0410528 0.5000000), wk = 0.0034247 k( 120) = ( 0.0342107 0.0342107 0.5000000), wk = 0.0034247 k( 121) = ( 0.0273685 0.0273685 0.5000000), wk = 0.0034247 k( 122) = ( 0.0205264 0.0205264 0.5000000), wk = 0.0034247 k( 123) = ( 0.0136843 0.0136843 0.5000000), wk = 0.0034247 k( 124) = ( 0.0068421 0.0068421 0.5000000), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 127) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0034247 k( 128) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0034247 k( 129) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0034247 k( 130) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0034247 k( 133) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0034247 k( 134) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034247 k( 135) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0034247 k( 136) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0034247 k( 137) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0034247 k( 138) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0034247 k( 139) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0034247 k( 140) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0034247 k( 141) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0034247 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 144) = ( -0.0217391 0.0217391 -0.0000000), wk = 0.0034247 k( 145) = ( -0.0434783 0.0434783 -0.0000000), wk = 0.0034247 k( 146) = ( -0.0652174 0.0652174 -0.0000000), wk = 0.0034247 k( 147) = ( -0.0869565 0.0869565 -0.0000000), wk = 0.0034247 k( 148) = ( -0.1086957 0.1086957 0.0000000), wk = 0.0034247 k( 149) = ( -0.1304348 0.1304348 -0.0000000), wk = 0.0034247 k( 150) = ( -0.1521739 0.1521739 -0.0000000), wk = 0.0034247 k( 151) = ( -0.1739130 0.1739130 -0.0000000), wk = 0.0034247 k( 152) = ( -0.1956522 0.1956522 0.0000000), wk = 0.0034247 k( 153) = ( -0.2173913 0.2173913 0.0000000), wk = 0.0034247 k( 154) = ( -0.2391304 0.2391304 0.0000000), wk = 0.0034247 k( 155) = ( -0.2608696 0.2608696 -0.0000000), wk = 0.0034247 k( 156) = ( -0.2826087 0.2826087 -0.0000000), wk = 0.0034247 k( 157) = ( -0.3043478 0.3043478 -0.0000000), wk = 0.0034247 k( 158) = ( -0.3260870 0.3260870 0.0000000), wk = 0.0034247 k( 159) = ( -0.3478261 0.3478261 0.0000000), wk = 0.0034247 k( 160) = ( -0.3695652 0.3695652 0.0000000), wk = 0.0034247 k( 161) = ( -0.3913044 0.3913044 -0.0000000), wk = 0.0034247 k( 162) = ( -0.4130435 0.4130435 -0.0000000), wk = 0.0034247 k( 163) = ( -0.4347826 0.4347826 -0.0000000), wk = 0.0034247 k( 164) = ( -0.4565217 0.4565217 -0.0000000), wk = 0.0034247 k( 165) = ( -0.4782609 0.4782609 0.0000000), wk = 0.0034247 k( 166) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 167) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 168) = ( -0.4931420 0.5068580 -0.0000000), wk = 0.0034247 k( 169) = ( -0.4862840 0.5137160 -0.0000000), wk = 0.0034247 k( 170) = ( -0.4794259 0.5205741 -0.0000000), wk = 0.0034247 k( 171) = ( -0.4725679 0.5274321 -0.0000000), wk = 0.0034247 k( 172) = ( -0.4657099 0.5342901 0.0000000), wk = 0.0034247 k( 173) = ( -0.4588519 0.5411481 0.0000000), wk = 0.0034247 k( 174) = ( -0.4519939 0.5480061 0.0000000), wk = 0.0034247 k( 175) = ( -0.4451359 0.5548641 -0.0000000), wk = 0.0034247 k( 176) = ( -0.4382778 0.5617222 0.0000000), wk = 0.0034247 k( 177) = ( -0.4314198 0.5685802 -0.0000000), wk = 0.0034247 k( 178) = ( -0.4245618 0.5754382 0.0000000), wk = 0.0034247 k( 179) = ( -0.4177038 0.5822962 -0.0000000), wk = 0.0034247 k( 180) = ( -0.4108458 0.5891542 0.0000000), wk = 0.0034247 k( 181) = ( -0.4039878 0.5960122 -0.0000000), wk = 0.0034247 k( 182) = ( -0.3971297 0.6028703 -0.0000000), wk = 0.0034247 k( 183) = ( -0.3902717 0.6097283 0.0000000), wk = 0.0034247 k( 184) = ( -0.3834137 0.6165863 -0.0000000), wk = 0.0034247 k( 185) = ( -0.3765557 0.6234443 -0.0000000), wk = 0.0034247 k( 186) = ( -0.3696977 0.6303023 0.0000000), wk = 0.0034247 k( 187) = ( -0.3628397 0.6371604 0.0000000), wk = 0.0034247 k( 188) = ( -0.3559816 0.6440184 0.0000000), wk = 0.0034247 k( 189) = ( -0.3491236 0.6508764 -0.0000000), wk = 0.0034247 k( 190) = ( -0.3422656 0.6577344 0.0000000), wk = 0.0034247 k( 191) = ( -0.3354076 0.6645924 -0.0000000), wk = 0.0034247 k( 192) = ( -0.3285496 0.6714504 0.0000000), wk = 0.0034247 k( 193) = ( -0.3216915 0.6783084 -0.0000000), wk = 0.0034247 k( 194) = ( -0.3148335 0.6851665 0.0000000), wk = 0.0034247 k( 195) = ( -0.3079755 0.6920245 0.0000000), wk = 0.0034247 k( 196) = ( -0.3011175 0.6988825 0.0000000), wk = 0.0034247 k( 197) = ( -0.2942595 0.7057405 -0.0000000), wk = 0.0034247 k( 198) = ( -0.2874015 0.7125985 0.0000000), wk = 0.0034247 k( 199) = ( -0.2805435 0.7194565 0.0000000), wk = 0.0034247 k( 200) = ( -0.2736854 0.7263146 0.0000000), wk = 0.0034247 k( 201) = ( -0.2736854 0.7263146 0.0000000), wk = 0.0034247 k( 202) = ( -0.2736854 0.7263146 0.0312500), wk = 0.0034247 k( 203) = ( -0.2736854 0.7263146 0.0625000), wk = 0.0034247 k( 204) = ( -0.2736854 0.7263146 0.0937500), wk = 0.0034247 k( 205) = ( -0.2736854 0.7263146 0.1250000), wk = 0.0034247 k( 206) = ( -0.2736854 0.7263146 0.1562500), wk = 0.0034247 k( 207) = ( -0.2736854 0.7263146 0.1875000), wk = 0.0034247 k( 208) = ( -0.2736854 0.7263146 0.2187500), wk = 0.0034247 k( 209) = ( -0.2736854 0.7263146 0.2500000), wk = 0.0034247 k( 210) = ( -0.2736854 0.7263146 0.2812500), wk = 0.0034247 k( 211) = ( -0.2736854 0.7263146 0.3125000), wk = 0.0034247 k( 212) = ( -0.2736854 0.7263146 0.3437500), wk = 0.0034247 k( 213) = ( -0.2736854 0.7263146 0.3750000), wk = 0.0034247 k( 214) = ( -0.2736854 0.7263146 0.4062500), wk = 0.0034247 k( 215) = ( -0.2736854 0.7263146 0.4375000), wk = 0.0034247 k( 216) = ( -0.2736854 0.7263146 0.4687500), wk = 0.0034247 k( 217) = ( -0.2736854 0.7263146 0.5000000), wk = 0.0034247 k( 218) = ( -0.2736854 0.7263146 0.5000000), wk = 0.0034247 k( 219) = ( -0.2805435 0.7194565 0.5000000), wk = 0.0034247 k( 220) = ( -0.2874015 0.7125985 0.5000000), wk = 0.0034247 k( 221) = ( -0.2942595 0.7057405 0.5000000), wk = 0.0034247 k( 222) = ( -0.3011175 0.6988825 0.5000000), wk = 0.0034247 k( 223) = ( -0.3079755 0.6920245 0.5000000), wk = 0.0034247 k( 224) = ( -0.3148335 0.6851665 0.5000000), wk = 0.0034247 k( 225) = ( -0.3216915 0.6783084 0.5000000), wk = 0.0034247 k( 226) = ( -0.3285496 0.6714504 0.5000000), wk = 0.0034247 k( 227) = ( -0.3354076 0.6645924 0.5000000), wk = 0.0034247 k( 228) = ( -0.3422656 0.6577344 0.5000000), wk = 0.0034247 k( 229) = ( -0.3491236 0.6508764 0.5000000), wk = 0.0034247 k( 230) = ( -0.3559816 0.6440184 0.5000000), wk = 0.0034247 k( 231) = ( -0.3628397 0.6371604 0.5000000), wk = 0.0034247 k( 232) = ( -0.3696977 0.6303023 0.5000000), wk = 0.0034247 k( 233) = ( -0.3765557 0.6234443 0.5000000), wk = 0.0034247 k( 234) = ( -0.3834137 0.6165863 0.5000000), wk = 0.0034247 k( 235) = ( -0.3902717 0.6097283 0.5000000), wk = 0.0034247 k( 236) = ( -0.3971297 0.6028703 0.5000000), wk = 0.0034247 k( 237) = ( -0.4039878 0.5960122 0.5000000), wk = 0.0034247 k( 238) = ( -0.4108458 0.5891542 0.5000000), wk = 0.0034247 k( 239) = ( -0.4177038 0.5822962 0.5000000), wk = 0.0034247 k( 240) = ( -0.4245618 0.5754382 0.5000000), wk = 0.0034247 k( 241) = ( -0.4314198 0.5685802 0.5000000), wk = 0.0034247 k( 242) = ( -0.4382778 0.5617222 0.5000000), wk = 0.0034247 k( 243) = ( -0.4451359 0.5548641 0.5000000), wk = 0.0034247 k( 244) = ( -0.4519939 0.5480061 0.5000000), wk = 0.0034247 k( 245) = ( -0.4588519 0.5411481 0.5000000), wk = 0.0034247 k( 246) = ( -0.4657099 0.5342901 0.5000000), wk = 0.0034247 k( 247) = ( -0.4725679 0.5274321 0.5000000), wk = 0.0034247 k( 248) = ( -0.4794259 0.5205741 0.5000000), wk = 0.0034247 k( 249) = ( -0.4862840 0.5137160 0.5000000), wk = 0.0034247 k( 250) = ( -0.4931420 0.5068580 0.5000000), wk = 0.0034247 k( 251) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 252) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 253) = ( -0.5000000 0.5000000 0.4687500), wk = 0.0034247 k( 254) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0034247 k( 255) = ( -0.5000000 0.5000000 0.4062500), wk = 0.0034247 k( 256) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0034247 k( 257) = ( -0.5000000 0.5000000 0.3437500), wk = 0.0034247 k( 258) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0034247 k( 259) = ( -0.5000000 0.5000000 0.2812500), wk = 0.0034247 k( 260) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0034247 k( 261) = ( -0.5000000 0.5000000 0.2187500), wk = 0.0034247 k( 262) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0034247 k( 263) = ( -0.5000000 0.5000000 0.1562500), wk = 0.0034247 k( 264) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0034247 k( 265) = ( -0.5000000 0.5000000 0.0937500), wk = 0.0034247 k( 266) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0034247 k( 267) = ( -0.5000000 0.5000000 0.0312500), wk = 0.0034247 k( 268) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 270) = ( -0.0217391 0.0217391 0.5000000), wk = 0.0034247 k( 271) = ( -0.0434783 0.0434783 0.5000000), wk = 0.0034247 k( 272) = ( -0.0652174 0.0652174 0.5000000), wk = 0.0034247 k( 273) = ( -0.0869565 0.0869565 0.5000000), wk = 0.0034247 k( 274) = ( -0.1086957 0.1086957 0.5000000), wk = 0.0034247 k( 275) = ( -0.1304348 0.1304348 0.5000000), wk = 0.0034247 k( 276) = ( -0.1521739 0.1521739 0.5000000), wk = 0.0034247 k( 277) = ( -0.1739130 0.1739130 0.5000000), wk = 0.0034247 k( 278) = ( -0.1956522 0.1956522 0.5000000), wk = 0.0034247 k( 279) = ( -0.2173913 0.2173913 0.5000000), wk = 0.0034247 k( 280) = ( -0.2391304 0.2391304 0.5000000), wk = 0.0034247 k( 281) = ( -0.2608696 0.2608696 0.5000000), wk = 0.0034247 k( 282) = ( -0.2826087 0.2826087 0.5000000), wk = 0.0034247 k( 283) = ( -0.3043478 0.3043478 0.5000000), wk = 0.0034247 k( 284) = ( -0.3260870 0.3260870 0.5000000), wk = 0.0034247 k( 285) = ( -0.3478261 0.3478261 0.5000000), wk = 0.0034247 k( 286) = ( -0.3695652 0.3695652 0.5000000), wk = 0.0034247 k( 287) = ( -0.3913044 0.3913044 0.5000000), wk = 0.0034247 k( 288) = ( -0.4130435 0.4130435 0.5000000), wk = 0.0034247 k( 289) = ( -0.4347826 0.4347826 0.5000000), wk = 0.0034247 k( 290) = ( -0.4565217 0.4565217 0.5000000), wk = 0.0034247 k( 291) = ( -0.4782609 0.4782609 0.5000000), wk = 0.0034247 k( 292) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034247 Dense grid: 99297 G-vectors FFT dimensions: ( 64, 64, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 534, 58) NL pseudopotentials 1.08 Mb ( 267, 264) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2073) G-vector shells 0.01 Mb ( 1055) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.89 Mb ( 534, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.47 Mb ( 264, 2, 58) The potential is recalculated from file : ./LaI3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.8 secs Computing kpt #: 2 total cpu time spent up to now is 51.1 secs Computing kpt #: 3 total cpu time spent up to now is 57.2 secs Computing kpt #: 4 total cpu time spent up to now is 63.8 secs Computing kpt #: 5 total cpu time spent up to now is 70.4 secs Computing kpt #: 6 total cpu time spent up to now is 77.0 secs Computing kpt #: 7 total cpu time spent up to now is 83.6 secs Computing kpt #: 8 total cpu time spent up to now is 89.9 secs Computing kpt #: 9 total cpu time spent up to now is 96.2 secs Computing kpt #: 10 total cpu time spent up to now is 102.3 secs Computing kpt #: 11 total cpu time spent up to now is 109.0 secs Computing kpt #: 12 total cpu time spent up to now is 115.7 secs Computing kpt #: 13 total cpu time spent up to now is 122.7 secs Computing kpt #: 14 total cpu time spent up to now is 129.7 secs Computing kpt #: 15 total cpu time spent up to now is 137.3 secs Computing kpt #: 16 total cpu time spent up to now is 145.4 secs Computing kpt #: 17 total cpu time spent up to now is 153.4 secs Computing kpt #: 18 total cpu time spent up to now is 161.6 secs Computing kpt #: 19 total cpu time spent up to now is 170.0 secs Computing kpt #: 20 total cpu time spent up to now is 178.4 secs Computing kpt #: 21 total cpu time spent up to now is 186.8 secs Computing kpt #: 22 total cpu time spent up to now is 196.0 secs Computing kpt #: 23 total cpu time spent up to now is 205.2 secs Computing kpt #: 24 total cpu time spent up to now is 213.8 secs Computing kpt #: 25 total cpu time spent up to now is 222.3 secs Computing kpt #: 26 total cpu time spent up to now is 230.8 secs Computing kpt #: 27 total cpu time spent up to now is 238.4 secs Computing kpt #: 28 total cpu time spent up to now is 245.7 secs Computing kpt #: 29 total cpu time spent up to now is 253.0 secs Computing kpt #: 30 total cpu time spent up to now is 260.2 secs Computing kpt #: 31 total cpu time spent up to now is 267.6 secs Computing kpt #: 32 total cpu time spent up to now is 274.6 secs Computing kpt #: 33 total cpu time spent up to now is 281.7 secs Computing kpt #: 34 total cpu time spent up to now is 289.0 secs Computing kpt #: 35 total cpu time spent up to now is 296.5 secs Computing kpt #: 36 total cpu time spent up to now is 304.3 secs Computing kpt #: 37 total cpu time spent up to now is 311.4 secs Computing kpt #: 38 total cpu time spent up to now is 319.3 secs Computing kpt #: 39 total cpu time spent up to now is 328.1 secs Computing kpt #: 40 total cpu time spent up to now is 336.4 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 346.9 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.3 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.9 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.3 secs Computing kpt #: 45 total cpu time spent up to now is 388.0 secs Computing kpt #: 46 total cpu time spent up to now is 397.7 secs Computing kpt #: 47 total cpu time spent up to now is 405.9 secs Computing kpt #: 48 total cpu time spent up to now is 415.8 secs Computing kpt #: 49 total cpu time spent up to now is 424.0 secs Computing kpt #: 50 total cpu time spent up to now is 432.8 secs Computing kpt #: 51 total cpu time spent up to now is 442.3 secs Computing kpt #: 52 total cpu time spent up to now is 451.2 secs Computing kpt #: 53 total cpu time spent up to now is 459.4 secs Computing kpt #: 54 total cpu time spent up to now is 467.8 secs Computing kpt #: 55 total cpu time spent up to now is 475.9 secs Computing kpt #: 56 total cpu time spent up to now is 484.7 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.0 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.1 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.4 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 525.9 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 536.3 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 546.7 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 557.1 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 567.4 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 577.5 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 587.9 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 598.2 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 608.8 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.4 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 630.0 secs Computing kpt #: 71 total cpu time spent up to now is 636.9 secs Computing kpt #: 72 total cpu time spent up to now is 644.1 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 654.4 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.9 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 675.5 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 686.1 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.8 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 707.6 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 718.5 secs Computing kpt #: 80 total cpu time spent up to now is 728.8 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 739.7 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.5 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 761.4 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 772.0 secs Computing kpt #: 85 total cpu time spent up to now is 782.4 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.3 secs Computing kpt #: 87 total cpu time spent up to now is 803.9 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 814.8 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 825.3 secs Computing kpt #: 90 total cpu time spent up to now is 835.4 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 846.0 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 856.7 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 867.5 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 878.3 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 899.8 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 910.4 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 921.1 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 931.8 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 942.8 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 953.5 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 964.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 974.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 985.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 995.7 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1006.0 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1016.4 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1026.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1037.2 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1047.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1057.7 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1068.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1088.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1099.4 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1109.8 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1120.2 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1130.4 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1140.9 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1151.1 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1161.4 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1171.6 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1181.8 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1192.0 secs Computing kpt #: 125 total cpu time spent up to now is 1199.5 secs Computing kpt #: 126 total cpu time spent up to now is 1207.1 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1217.2 secs Computing kpt #: 128 total cpu time spent up to now is 1225.8 secs Computing kpt #: 129 total cpu time spent up to now is 1233.4 secs Computing kpt #: 130 total cpu time spent up to now is 1240.6 secs Computing kpt #: 131 total cpu time spent up to now is 1247.4 secs Computing kpt #: 132 total cpu time spent up to now is 1254.4 secs Computing kpt #: 133 total cpu time spent up to now is 1261.3 secs Computing kpt #: 134 total cpu time spent up to now is 1268.1 secs Computing kpt #: 135 total cpu time spent up to now is 1274.9 secs Computing kpt #: 136 total cpu time spent up to now is 1281.5 secs Computing kpt #: 137 total cpu time spent up to now is 1288.2 secs Computing kpt #: 138 total cpu time spent up to now is 1294.7 secs Computing kpt #: 139 total cpu time spent up to now is 1300.7 secs Computing kpt #: 140 total cpu time spent up to now is 1307.3 secs Computing kpt #: 141 total cpu time spent up to now is 1313.4 secs Computing kpt #: 142 total cpu time spent up to now is 1319.6 secs Computing kpt #: 143 total cpu time spent up to now is 1325.5 secs Computing kpt #: 144 total cpu time spent up to now is 1331.5 secs Computing kpt #: 145 total cpu time spent up to now is 1337.6 secs Computing kpt #: 146 total cpu time spent up to now is 1343.9 secs Computing kpt #: 147 total cpu time spent up to now is 1350.5 secs Computing kpt #: 148 total cpu time spent up to now is 1357.1 secs Computing kpt #: 149 total cpu time spent up to now is 1363.8 secs Computing kpt #: 150 total cpu time spent up to now is 1370.4 secs Computing kpt #: 151 total cpu time spent up to now is 1377.0 secs Computing kpt #: 152 total cpu time spent up to now is 1383.7 secs Computing kpt #: 153 total cpu time spent up to now is 1389.9 secs Computing kpt #: 154 total cpu time spent up to now is 1396.5 secs Computing kpt #: 155 total cpu time spent up to now is 1403.2 secs Computing kpt #: 156 total cpu time spent up to now is 1410.0 secs Computing kpt #: 157 total cpu time spent up to now is 1416.7 secs Computing kpt #: 158 total cpu time spent up to now is 1423.4 secs Computing kpt #: 159 total cpu time spent up to now is 1430.2 secs Computing kpt #: 160 total cpu time spent up to now is 1437.1 secs Computing kpt #: 161 total cpu time spent up to now is 1444.4 secs Computing kpt #: 162 total cpu time spent up to now is 1451.2 secs Computing kpt #: 163 total cpu time spent up to now is 1458.2 secs Computing kpt #: 164 total cpu time spent up to now is 1465.2 secs Computing kpt #: 165 total cpu time spent up to now is 1472.2 secs Computing kpt #: 166 total cpu time spent up to now is 1479.2 secs Computing kpt #: 167 total cpu time spent up to now is 1486.3 secs Computing kpt #: 168 total cpu time spent up to now is 1493.3 secs Computing kpt #: 169 total cpu time spent up to now is 1500.4 secs Computing kpt #: 170 total cpu time spent up to now is 1507.4 secs Computing kpt #: 171 total cpu time spent up to now is 1514.7 secs Computing kpt #: 172 total cpu time spent up to now is 1521.8 secs Computing kpt #: 173 total cpu time spent up to now is 1528.8 secs Computing kpt #: 174 total cpu time spent up to now is 1535.9 secs Computing kpt #: 175 total cpu time spent up to now is 1543.2 secs Computing kpt #: 176 total cpu time spent up to now is 1550.3 secs Computing kpt #: 177 total cpu time spent up to now is 1557.4 secs Computing kpt #: 178 total cpu time spent up to now is 1564.7 secs Computing kpt #: 179 total cpu time spent up to now is 1571.9 secs Computing kpt #: 180 total cpu time spent up to now is 1579.1 secs Computing kpt #: 181 total cpu time spent up to now is 1586.2 secs Computing kpt #: 182 total cpu time spent up to now is 1593.6 secs Computing kpt #: 183 total cpu time spent up to now is 1600.8 secs Computing kpt #: 184 total cpu time spent up to now is 1608.1 secs Computing kpt #: 185 total cpu time spent up to now is 1615.3 secs Computing kpt #: 186 total cpu time spent up to now is 1622.4 secs Computing kpt #: 187 total cpu time spent up to now is 1629.6 secs Computing kpt #: 188 total cpu time spent up to now is 1636.7 secs Computing kpt #: 189 total cpu time spent up to now is 1643.8 secs Computing kpt #: 190 total cpu time spent up to now is 1650.8 secs Computing kpt #: 191 total cpu time spent up to now is 1657.9 secs Computing kpt #: 192 total cpu time spent up to now is 1664.9 secs Computing kpt #: 193 total cpu time spent up to now is 1671.8 secs Computing kpt #: 194 total cpu time spent up to now is 1678.7 secs Computing kpt #: 195 total cpu time spent up to now is 1685.7 secs Computing kpt #: 196 total cpu time spent up to now is 1692.7 secs Computing kpt #: 197 total cpu time spent up to now is 1700.2 secs Computing kpt #: 198 total cpu time spent up to now is 1708.4 secs Computing kpt #: 199 total cpu time spent up to now is 1718.1 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1728.5 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1739.1 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1749.5 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1760.0 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1770.3 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1780.7 secs Computing kpt #: 206 total cpu time spent up to now is 1790.6 secs Computing kpt #: 207 total cpu time spent up to now is 1800.3 secs Computing kpt #: 208 total cpu time spent up to now is 1809.2 secs Computing kpt #: 209 total cpu time spent up to now is 1818.4 secs Computing kpt #: 210 total cpu time spent up to now is 1826.5 secs Computing kpt #: 211 total cpu time spent up to now is 1834.4 secs Computing kpt #: 212 total cpu time spent up to now is 1842.3 secs Computing kpt #: 213 total cpu time spent up to now is 1850.4 secs Computing kpt #: 214 total cpu time spent up to now is 1858.5 secs Computing kpt #: 215 total cpu time spent up to now is 1867.0 secs Computing kpt #: 216 total cpu time spent up to now is 1877.4 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1888.1 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1898.9 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1909.6 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1920.3 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1931.1 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1942.3 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1953.1 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1963.9 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1974.9 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1985.8 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1996.5 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2007.2 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2017.8 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2028.4 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2038.9 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2049.2 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2059.7 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2069.9 secs Computing kpt #: 235 total cpu time spent up to now is 2079.9 secs Computing kpt #: 236 total cpu time spent up to now is 2089.1 secs Computing kpt #: 237 total cpu time spent up to now is 2098.2 secs Computing kpt #: 238 total cpu time spent up to now is 2107.4 secs Computing kpt #: 239 total cpu time spent up to now is 2116.7 secs Computing kpt #: 240 total cpu time spent up to now is 2126.0 secs Computing kpt #: 241 total cpu time spent up to now is 2136.5 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2147.0 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2157.4 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2167.9 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2178.3 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2188.7 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2199.2 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2209.6 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2220.0 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2230.6 secs Computing kpt #: 251 total cpu time spent up to now is 2240.3 secs Computing kpt #: 252 total cpu time spent up to now is 2250.1 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2260.3 secs Computing kpt #: 254 total cpu time spent up to now is 2269.3 secs Computing kpt #: 255 total cpu time spent up to now is 2277.4 secs Computing kpt #: 256 total cpu time spent up to now is 2285.3 secs Computing kpt #: 257 total cpu time spent up to now is 2292.7 secs Computing kpt #: 258 total cpu time spent up to now is 2300.0 secs Computing kpt #: 259 total cpu time spent up to now is 2307.2 secs Computing kpt #: 260 total cpu time spent up to now is 2314.5 secs Computing kpt #: 261 total cpu time spent up to now is 2321.7 secs Computing kpt #: 262 total cpu time spent up to now is 2329.0 secs Computing kpt #: 263 total cpu time spent up to now is 2336.1 secs Computing kpt #: 264 total cpu time spent up to now is 2343.5 secs Computing kpt #: 265 total cpu time spent up to now is 2350.6 secs Computing kpt #: 266 total cpu time spent up to now is 2357.5 secs Computing kpt #: 267 total cpu time spent up to now is 2364.4 secs Computing kpt #: 268 total cpu time spent up to now is 2371.4 secs Computing kpt #: 269 total cpu time spent up to now is 2378.8 secs Computing kpt #: 270 total cpu time spent up to now is 2386.0 secs Computing kpt #: 271 total cpu time spent up to now is 2393.1 secs Computing kpt #: 272 total cpu time spent up to now is 2400.9 secs Computing kpt #: 273 total cpu time spent up to now is 2408.5 secs Computing kpt #: 274 total cpu time spent up to now is 2416.3 secs Computing kpt #: 275 total cpu time spent up to now is 2424.0 secs Computing kpt #: 276 total cpu time spent up to now is 2431.6 secs Computing kpt #: 277 total cpu time spent up to now is 2439.5 secs Computing kpt #: 278 total cpu time spent up to now is 2447.3 secs Computing kpt #: 279 total cpu time spent up to now is 2454.9 secs Computing kpt #: 280 total cpu time spent up to now is 2462.7 secs Computing kpt #: 281 total cpu time spent up to now is 2470.7 secs Computing kpt #: 282 total cpu time spent up to now is 2478.8 secs Computing kpt #: 283 total cpu time spent up to now is 2486.9 secs Computing kpt #: 284 total cpu time spent up to now is 2495.0 secs Computing kpt #: 285 total cpu time spent up to now is 2503.3 secs Computing kpt #: 286 total cpu time spent up to now is 2512.1 secs Computing kpt #: 287 total cpu time spent up to now is 2521.2 secs Computing kpt #: 288 total cpu time spent up to now is 2530.2 secs Computing kpt #: 289 total cpu time spent up to now is 2540.1 secs Computing kpt #: 290 total cpu time spent up to now is 2549.8 secs Computing kpt #: 291 total cpu time spent up to now is 2559.7 secs Computing kpt #: 292 total cpu time spent up to now is 2569.5 secs ethr = 2.08E-11, avg # of iterations = 82.6 total cpu time spent up to now is 2569.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12419 PWs) bands (ev): -8.4606 -8.4606 -8.0485 -8.0485 -7.7825 -7.7825 -7.6652 -7.6652 -7.4654 -7.4654 -7.2665 -7.2665 0.2938 0.2938 0.6181 0.6181 0.7500 0.7500 1.1313 1.1313 1.1793 1.1793 1.4964 1.4964 1.8088 1.8088 2.1599 2.1599 2.1786 2.1786 2.3186 2.3186 2.4693 2.4693 2.8006 2.8006 2.9677 2.9677 2.9982 2.9982 3.5766 3.5766 3.6717 3.6717 4.0476 4.0476 4.3071 4.3071 5.8267 5.8267 6.0399 6.0399 6.2642 6.2642 6.6955 6.6955 6.8158 6.8158 k = 0.0068 0.0222-0.0000 ( 12427 PWs) bands (ev): -8.4600 -8.4600 -8.0482 -8.0482 -7.7824 -7.7824 -7.6652 -7.6652 -7.4651 -7.4651 -7.2665 -7.2665 0.2941 0.2941 0.6185 0.6185 0.7504 0.7504 1.1308 1.1308 1.1791 1.1791 1.4970 1.4970 1.8062 1.8062 2.1479 2.1479 2.1868 2.1868 2.3203 2.3203 2.4668 2.4668 2.7952 2.7952 2.9666 2.9666 3.0008 3.0008 3.5720 3.5720 3.6751 3.6751 4.0444 4.0444 4.3046 4.3046 5.8290 5.8290 6.0427 6.0427 6.2649 6.2649 6.6974 6.6974 6.8180 6.8180 k = 0.0137 0.0445-0.0000 ( 12433 PWs) bands (ev): -8.4579 -8.4579 -8.0473 -8.0473 -7.7821 -7.7821 -7.6650 -7.6650 -7.4642 -7.4642 -7.2667 -7.2667 0.2949 0.2949 0.6198 0.6198 0.7515 0.7515 1.1295 1.1295 1.1784 1.1784 1.4990 1.4990 1.7985 1.7985 2.1271 2.1271 2.1966 2.1966 2.3252 2.3252 2.4593 2.4593 2.7796 2.7796 2.9629 2.9629 3.0082 3.0082 3.5601 3.5601 3.6834 3.6834 4.0349 4.0349 4.2975 4.2975 5.8359 5.8359 6.0509 6.0509 6.2670 6.2670 6.7029 6.7029 6.8246 6.8246 k = 0.0205 0.0667-0.0000 ( 12433 PWs) bands (ev): -8.4546 -8.4546 -8.0459 -8.0459 -7.7816 -7.7816 -7.6646 -7.6646 -7.4627 -7.4627 -7.2671 -7.2671 0.2963 0.2963 0.6217 0.6217 0.7533 0.7533 1.1268 1.1268 1.1776 1.1776 1.5022 1.5022 1.7860 1.7860 2.1034 2.1034 2.2026 2.2026 2.3329 2.3329 2.4471 2.4471 2.7559 2.7559 2.9563 2.9563 3.0187 3.0187 3.5445 3.5445 3.6933 3.6933 4.0189 4.0189 4.2865 4.2865 5.8474 5.8474 6.0644 6.0644 6.2705 6.2705 6.7120 6.7120 6.8355 6.8355 k = 0.0274 0.0889-0.0000 ( 12445 PWs) bands (ev): -8.4499 -8.4499 -8.0438 -8.0438 -7.7809 -7.7809 -7.6642 -7.6642 -7.4607 -7.4607 -7.2676 -7.2676 0.2982 0.2982 0.6243 0.6243 0.7557 0.7557 1.1223 1.1223 1.1773 1.1773 1.5066 1.5066 1.7692 1.7692 2.0780 2.0780 2.2047 2.2047 2.3425 2.3425 2.4303 2.4303 2.7259 2.7259 2.9464 2.9464 3.0305 3.0305 3.5275 3.5275 3.7022 3.7022 3.9961 3.9961 4.2726 4.2726 5.8635 5.8635 6.0829 6.0829 6.2752 6.2752 6.7246 6.7246 6.8504 6.8504 k = 0.0342 0.1111-0.0000 ( 12441 PWs) bands (ev): -8.4439 -8.4439 -8.0411 -8.0411 -7.7800 -7.7800 -7.6636 -7.6636 -7.4581 -7.4581 -7.2683 -7.2683 0.3006 0.3006 0.6271 0.6271 0.7586 0.7586 1.1158 1.1158 1.1778 1.1778 1.5119 1.5119 1.7488 1.7488 2.0516 2.0516 2.2036 2.2036 2.3529 2.3529 2.4094 2.4094 2.6910 2.6910 2.9332 2.9332 3.0424 3.0424 3.5104 3.5104 3.7091 3.7091 3.9668 3.9668 4.2567 4.2567 5.8842 5.8842 6.1060 6.1060 6.2813 6.2813 6.7406 6.7406 6.8692 6.8692 k = 0.0411 0.1334-0.0000 ( 12459 PWs) bands (ev): -8.4366 -8.4366 -8.0379 -8.0379 -7.7790 -7.7790 -7.6630 -7.6630 -7.4549 -7.4549 -7.2691 -7.2691 0.3034 0.3034 0.6298 0.6298 0.7619 0.7619 1.1073 1.1073 1.1793 1.1793 1.5179 1.5179 1.7254 1.7254 2.0249 2.0249 2.1999 2.1999 2.3619 2.3619 2.3858 2.3858 2.6528 2.6528 2.9166 2.9166 3.0532 3.0532 3.4938 3.4938 3.7132 3.7132 3.9315 3.9315 4.2397 4.2397 5.9094 5.9094 6.1334 6.1334 6.2885 6.2885 6.7598 6.7598 6.8914 6.8914 k = 0.0479 0.1556-0.0000 ( 12451 PWs) bands (ev): -8.4281 -8.4281 -8.0342 -8.0342 -7.7778 -7.7778 -7.6622 -7.6622 -7.4513 -7.4513 -7.2700 -7.2700 0.3066 0.3066 0.6321 0.6321 0.7655 0.7655 1.0970 1.0970 1.1817 1.1817 1.5242 1.5242 1.7000 1.7000 1.9985 1.9985 2.1939 2.1939 2.3525 2.3525 2.3760 2.3760 2.6129 2.6129 2.8964 2.8964 3.0624 3.0624 3.4777 3.4777 3.7143 3.7143 3.8911 3.8911 4.2218 4.2218 5.9390 5.9390 6.1645 6.1645 6.2969 6.2969 6.7821 6.7821 6.9166 6.9166 k = 0.0547 0.1778-0.0000 ( 12443 PWs) bands (ev): -8.4183 -8.4183 -8.0299 -8.0299 -7.7765 -7.7765 -7.6614 -7.6614 -7.4472 -7.4472 -7.2711 -7.2711 0.3101 0.3101 0.6333 0.6333 0.7690 0.7690 1.0856 1.0856 1.1849 1.1849 1.5299 1.5299 1.6737 1.6737 1.9730 1.9730 2.1855 2.1855 2.3230 2.3230 2.3810 2.3810 2.5737 2.5737 2.8725 2.8725 3.0694 3.0694 3.4619 3.4619 3.7122 3.7122 3.8469 3.8469 4.2032 4.2032 5.9730 5.9730 6.1991 6.1991 6.3066 6.3066 6.8071 6.8071 6.9443 6.9443 k = 0.0616 0.2001-0.0000 ( 12439 PWs) bands (ev): -8.4073 -8.4073 -8.0250 -8.0250 -7.7751 -7.7751 -7.6605 -7.6605 -7.4426 -7.4426 -7.2724 -7.2724 0.3140 0.3140 0.6329 0.6329 0.7724 0.7724 1.0736 1.0736 1.1884 1.1884 1.5337 1.5337 1.6483 1.6483 1.9487 1.9487 2.1740 2.1740 2.2910 2.2910 2.3823 2.3823 2.5388 2.5388 2.8450 2.8450 3.0738 3.0738 3.4461 3.4461 3.7071 3.7071 3.8005 3.8005 4.1836 4.1836 6.0114 6.0114 6.2365 6.2365 6.3178 6.3178 6.8347 6.8347 6.9739 6.9739 k = 0.0684 0.2223-0.0000 ( 12429 PWs) bands (ev): -8.3952 -8.3952 -8.0197 -8.0197 -7.7736 -7.7736 -7.6596 -7.6596 -7.4377 -7.4377 -7.2739 -7.2739 0.3180 0.3180 0.6302 0.6302 0.7754 0.7754 1.0620 1.0620 1.1920 1.1920 1.5331 1.5331 1.6266 1.6266 1.9260 1.9260 2.1571 2.1571 2.2602 2.2602 2.3757 2.3757 2.5125 2.5125 2.8139 2.8139 3.0754 3.0754 3.4296 3.4296 3.6988 3.6988 3.7536 3.7536 4.1629 4.1629 6.0540 6.0540 6.2754 6.2754 6.3317 6.3317 6.8645 6.8645 7.0048 7.0048 k = 0.0753 0.2445-0.0000 ( 12419 PWs) bands (ev): -8.3820 -8.3820 -8.0139 -8.0139 -7.7721 -7.7721 -7.6587 -7.6587 -7.4323 -7.4323 -7.2755 -7.2755 0.3223 0.3223 0.6245 0.6245 0.7777 0.7777 1.0513 1.0513 1.1954 1.1954 1.5247 1.5247 1.6120 1.6120 1.9051 1.9051 2.1318 2.1318 2.2346 2.2346 2.3592 2.3592 2.4981 2.4981 2.7796 2.7796 3.0740 3.0740 3.4120 3.4120 3.6858 3.6858 3.7094 3.7094 4.1407 4.1407 6.1007 6.1007 6.3115 6.3115 6.3522 6.3522 6.8960 6.8960 7.0363 7.0363 k = 0.0821 0.2667-0.0000 ( 12415 PWs) bands (ev): -8.3677 -8.3677 -8.0077 -8.0077 -7.7705 -7.7705 -7.6578 -7.6578 -7.4267 -7.4267 -7.2773 -7.2773 0.3268 0.3268 0.6151 0.6151 0.7793 0.7793 1.0423 1.0423 1.1979 1.1979 1.5078 1.5078 1.6051 1.6051 1.8862 1.8862 2.0971 2.0971 2.2166 2.2166 2.3354 2.3354 2.4940 2.4940 2.7425 2.7425 3.0694 3.0694 3.3928 3.3928 3.6554 3.6554 3.6821 3.6821 4.1168 4.1168 6.1514 6.1514 6.3370 6.3370 6.3872 6.3872 6.9289 6.9289 7.0678 7.0678 k = 0.0889 0.2890-0.0000 ( 12411 PWs) bands (ev): -8.3525 -8.3525 -8.0010 -8.0010 -7.7689 -7.7689 -7.6570 -7.6570 -7.4207 -7.4207 -7.2793 -7.2793 0.3315 0.3315 0.6018 0.6018 0.7800 0.7800 1.0353 1.0353 1.1992 1.1992 1.4863 1.4863 1.6017 1.6017 1.8690 1.8690 2.0563 2.0563 2.2046 2.2046 2.3089 2.3089 2.4960 2.4960 2.7033 2.7033 3.0616 3.0616 3.3717 3.3717 3.6144 3.6144 3.6661 3.6661 4.0909 4.0909 6.2060 6.2060 6.3550 6.3550 6.4332 6.4332 6.9628 6.9628 7.0986 7.0986 k = 0.0958 0.3112-0.0000 ( 12407 PWs) bands (ev): -8.3363 -8.3363 -7.9939 -7.9939 -7.7674 -7.7674 -7.6562 -7.6562 -7.4146 -7.4146 -7.2814 -7.2814 0.3363 0.3363 0.5843 0.5843 0.7798 0.7798 1.0302 1.0302 1.1985 1.1985 1.4640 1.4640 1.5972 1.5972 1.8533 1.8533 2.0143 2.0143 2.1964 2.1964 2.2829 2.2829 2.5011 2.5011 2.6631 2.6631 3.0505 3.0505 3.3486 3.3486 3.5749 3.5749 3.6500 3.6500 4.0630 4.0630 6.2642 6.2642 6.3714 6.3714 6.4843 6.4843 6.9971 6.9971 7.1280 7.1280 k = 0.1026 0.3334-0.0000 ( 12407 PWs) bands (ev): -8.3192 -8.3192 -7.9864 -7.9864 -7.7659 -7.7659 -7.6555 -7.6555 -7.4082 -7.4082 -7.2838 -7.2838 0.3413 0.3413 0.5629 0.5629 0.7785 0.7785 1.0268 1.0268 1.1952 1.1952 1.4434 1.4434 1.5879 1.5879 1.8384 1.8384 1.9759 1.9759 2.1906 2.1906 2.2590 2.2590 2.5074 2.5074 2.6232 2.6232 3.0364 3.0364 3.3236 3.3236 3.5381 3.5381 3.6331 3.6331 4.0329 4.0329 6.3254 6.3254 6.3884 6.3884 6.5383 6.5383 7.0313 7.0313 7.1555 7.1555 k = 0.1095 0.3557-0.0000 ( 12411 PWs) bands (ev): -8.3014 -8.3014 -7.9786 -7.9786 -7.7646 -7.7646 -7.6549 -7.6549 -7.4018 -7.4018 -7.2863 -7.2863 0.3465 0.3465 0.5381 0.5381 0.7761 0.7761 1.0247 1.0247 1.1886 1.1886 1.4261 1.4261 1.5709 1.5709 1.8235 1.8235 1.9455 1.9455 2.1864 2.1864 2.2376 2.2376 2.5134 2.5134 2.5859 2.5859 3.0194 3.0194 3.2974 3.2974 3.5038 3.5038 3.6154 3.6154 4.0006 4.0006 6.3861 6.3861 6.4101 6.4101 6.5942 6.5942 7.0650 7.0650 7.1806 7.1806 k = 0.1163 0.3779-0.0000 ( 12409 PWs) bands (ev): -8.2828 -8.2828 -7.9705 -7.9705 -7.7634 -7.7634 -7.6545 -7.6545 -7.3953 -7.3953 -7.2889 -7.2889 0.3519 0.3519 0.5106 0.5106 0.7725 0.7725 1.0230 1.0230 1.1782 1.1782 1.4127 1.4127 1.5447 1.5447 1.8079 1.8079 1.9258 1.9258 2.1833 2.1833 2.2187 2.2187 2.5152 2.5152 2.5564 2.5564 2.9998 2.9998 3.2704 3.2704 3.4716 3.4716 3.5972 3.5972 3.9660 3.9660 6.4188 6.4188 6.4639 6.4639 6.6511 6.6511 7.0976 7.0976 7.2026 7.2026 k = 0.1232 0.4001-0.0000 ( 12409 PWs) bands (ev): -8.2636 -8.2636 -7.9622 -7.9622 -7.7624 -7.7624 -7.6543 -7.6543 -7.3887 -7.3887 -7.2918 -7.2918 0.3575 0.3575 0.4811 0.4811 0.7679 0.7679 1.0212 1.0212 1.1641 1.1641 1.4022 1.4022 1.5108 1.5108 1.7915 1.7915 1.9167 1.9167 2.1810 2.1810 2.2019 2.2019 2.5024 2.5024 2.5466 2.5466 2.9779 2.9779 3.2433 3.2433 3.4407 3.4407 3.5787 3.5787 3.9293 3.9293 6.4395 6.4395 6.5336 6.5336 6.7079 6.7079 7.1283 7.1283 7.2214 7.2214 k = 0.1300 0.4224-0.0000 ( 12403 PWs) bands (ev): -8.2439 -8.2439 -7.9536 -7.9536 -7.7617 -7.7617 -7.6542 -7.6542 -7.3823 -7.3823 -7.2948 -7.2948 0.3634 0.3634 0.4505 0.4505 0.7622 0.7622 1.0186 1.0186 1.1466 1.1466 1.3910 1.3910 1.4747 1.4747 1.7744 1.7744 1.9163 1.9163 2.1778 2.1778 2.1886 2.1886 2.4818 2.4818 2.5509 2.5509 2.9541 2.9541 3.2167 3.2167 3.4104 3.4104 3.5601 3.5601 3.8905 3.8905 6.4605 6.4605 6.6066 6.6066 6.7629 6.7629 7.1564 7.1564 7.2365 7.2365 k = 0.1368 0.4446-0.0000 ( 12393 PWs) bands (ev): -8.2238 -8.2238 -7.9448 -7.9448 -7.7612 -7.7612 -7.6544 -7.6544 -7.3759 -7.3759 -7.2979 -7.2979 0.3694 0.3694 0.4195 0.4195 0.7555 0.7555 1.0148 1.0148 1.1260 1.1260 1.3688 1.3688 1.4490 1.4490 1.7561 1.7561 1.9222 1.9222 2.1679 2.1679 2.1844 2.1844 2.4649 2.4649 2.5588 2.5588 2.9288 2.9288 3.1911 3.1911 3.3803 3.3803 3.5420 3.5420 3.8497 3.8497 6.4826 6.4826 6.6817 6.6817 6.8139 6.8139 7.1811 7.1811 7.2484 7.2484 k = 0.1437 0.4668-0.0000 ( 12393 PWs) bands (ev): -8.2032 -8.2032 -7.9358 -7.9358 -7.7610 -7.7610 -7.6549 -7.6549 -7.3696 -7.3696 -7.3011 -7.3011 0.3742 0.3742 0.3900 0.3900 0.7482 0.7482 1.0093 1.0093 1.1028 1.1028 1.3292 1.3292 1.4419 1.4419 1.7360 1.7360 1.9325 1.9325 2.1560 2.1560 2.1849 2.1849 2.4543 2.4543 2.5680 2.5680 2.9026 2.9026 3.1666 3.1666 3.3499 3.3499 3.5245 3.5245 3.8071 3.8071 6.5062 6.5062 6.7580 6.7580 6.8578 6.8578 7.2020 7.2020 7.2584 7.2584 k = 0.1505 0.4890-0.0000 ( 12409 PWs) bands (ev): -8.1825 -8.1825 -7.9267 -7.9267 -7.7612 -7.7612 -7.6556 -7.6556 -7.3636 -7.3636 -7.3045 -7.3045 0.3557 0.3557 0.3847 0.3847 0.7404 0.7404 1.0019 1.0019 1.0774 1.0774 1.2810 1.2810 1.4463 1.4463 1.7140 1.7140 1.9459 1.9459 2.1460 2.1460 2.1866 2.1866 2.4496 2.4496 2.5780 2.5780 2.8757 2.8757 3.1437 3.1437 3.3188 3.3188 3.5080 3.5080 3.7629 3.7629 6.5313 6.5313 6.8339 6.8339 6.8913 6.8913 7.2204 7.2204 7.2680 7.2680 k = 0.1574 0.5113-0.0000 ( 12405 PWs) bands (ev): -8.1616 -8.1616 -7.9176 -7.9176 -7.7618 -7.7618 -7.6566 -7.6566 -7.3578 -7.3578 -7.3079 -7.3079 0.3267 0.3267 0.3913 0.3913 0.7324 0.7324 0.9921 0.9921 1.0501 1.0501 1.2312 1.2312 1.4566 1.4566 1.6900 1.6900 1.9613 1.9613 2.1391 2.1391 2.1889 2.1889 2.4500 2.4500 2.5888 2.5888 2.8487 2.8487 3.1224 3.1224 3.2869 3.2869 3.4928 3.4928 3.7174 3.7174 6.5580 6.5580 6.8972 6.8972 6.9230 6.9230 7.2378 7.2378 7.2781 7.2781 k = 0.1642 0.5335-0.0000 ( 12393 PWs) bands (ev): -8.1407 -8.1407 -7.9084 -7.9084 -7.7629 -7.7629 -7.6580 -7.6580 -7.3522 -7.3522 -7.3114 -7.3114 0.2988 0.2988 0.3988 0.3988 0.7243 0.7243 0.9788 0.9788 1.0221 1.0221 1.1830 1.1830 1.4704 1.4704 1.6648 1.6648 1.9779 1.9779 2.1359 2.1359 2.1910 2.1910 2.4539 2.4539 2.6005 2.6005 2.8220 2.8220 3.1028 3.1028 3.2541 3.2541 3.4793 3.4793 3.6708 3.6708 6.5861 6.5861 6.9093 6.9093 6.9901 6.9901 7.2518 7.2518 7.2911 7.2911 k = 0.1711 0.5557-0.0000 ( 12389 PWs) bands (ev): -8.1200 -8.1200 -7.8992 -7.8992 -7.7645 -7.7645 -7.6597 -7.6597 -7.3471 -7.3471 -7.3148 -7.3148 0.2725 0.2725 0.4067 0.4067 0.7164 0.7164 0.9589 0.9589 0.9968 0.9968 1.1381 1.1381 1.4868 1.4868 1.6392 1.6392 1.9952 1.9952 2.1364 2.1364 2.1928 2.1928 2.4601 2.4601 2.6131 2.6131 2.7961 2.7961 3.0850 3.0850 3.2206 3.2206 3.4676 3.4676 3.6235 3.6235 6.6158 6.6158 6.9039 6.9039 7.0600 7.0600 7.2591 7.2591 7.3084 7.3084 k = 0.1779 0.5780-0.0000 ( 12395 PWs) bands (ev): -8.0994 -8.0994 -7.8901 -7.8901 -7.7665 -7.7665 -7.6618 -7.6618 -7.3423 -7.3423 -7.3182 -7.3182 0.2484 0.2484 0.4148 0.4148 0.7087 0.7087 0.9296 0.9296 0.9777 0.9777 1.0971 1.0971 1.5050 1.5050 1.6146 1.6146 2.0123 2.0123 2.1404 2.1404 2.1941 2.1941 2.4671 2.4671 2.6263 2.6263 2.7718 2.7718 3.0687 3.0687 3.1867 3.1867 3.4579 3.4579 3.5760 3.5760 6.6468 6.6468 6.8904 6.8904 7.1226 7.1226 7.2637 7.2637 7.3269 7.3269 k = 0.1847 0.6002-0.0000 ( 12383 PWs) bands (ev): -8.0792 -8.0792 -7.8810 -7.8810 -7.7692 -7.7692 -7.6643 -7.6643 -7.3378 -7.3378 -7.3215 -7.3215 0.2267 0.2267 0.4230 0.4230 0.7012 0.7012 0.8945 0.8945 0.9627 0.9627 1.0601 1.0601 1.5246 1.5246 1.5920 1.5920 2.0285 2.0285 2.1473 2.1473 2.1950 2.1950 2.4737 2.4737 2.6389 2.6389 2.7506 2.7506 3.0537 3.0537 3.1530 3.1530 3.4502 3.4502 3.5286 3.5286 6.6791 6.6791 6.8725 6.8725 7.1680 7.1680 7.2762 7.2762 7.3433 7.3433 k = 0.1916 0.6224-0.0000 ( 12389 PWs) bands (ev): -8.0595 -8.0595 -7.8721 -7.8721 -7.7725 -7.7725 -7.6672 -7.6672 -7.3339 -7.3339 -7.3247 -7.3247 0.2075 0.2075 0.4311 0.4311 0.6936 0.6936 0.8577 0.8577 0.9495 0.9495 1.0268 1.0268 1.5440 1.5440 1.5735 1.5735 2.0430 2.0430 2.1564 2.1564 2.1960 2.1960 2.4790 2.4790 2.6478 2.6478 2.7358 2.7358 3.0389 3.0389 3.1206 3.1206 3.4446 3.4446 3.4822 3.4822 6.7121 6.7121 6.8525 6.8525 7.1850 7.1850 7.3080 7.3080 7.3570 7.3570 k = 0.1984 0.6446-0.0000 ( 12391 PWs) bands (ev): -8.0405 -8.0405 -7.8633 -7.8633 -7.7764 -7.7764 -7.6705 -7.6705 -7.3307 -7.3307 -7.3273 -7.3273 0.1911 0.1911 0.4387 0.4387 0.6854 0.6854 0.8220 0.8220 0.9374 0.9374 0.9970 0.9970 1.5495 1.5495 1.5733 1.5733 2.0548 2.0548 2.1670 2.1670 2.1981 2.1981 2.4821 2.4821 2.6474 2.6474 2.7328 2.7328 3.0225 3.0225 3.0916 3.0916 3.4345 3.4345 3.4441 3.4441 6.7449 6.7449 6.8326 6.8326 7.1812 7.1812 7.3509 7.3509 7.3690 7.3690 k = 0.2053 0.6669-0.0000 ( 12391 PWs) bands (ev): -8.0222 -8.0222 -7.8547 -7.8547 -7.7810 -7.7810 -7.6742 -7.6742 -7.3309 -7.3309 -7.3267 -7.3267 0.1777 0.1777 0.4453 0.4453 0.6763 0.6763 0.7894 0.7894 0.9262 0.9262 0.9709 0.9709 1.5391 1.5391 1.5936 1.5936 2.0626 2.0626 2.1775 2.1775 2.2031 2.2031 2.4827 2.4827 2.6364 2.6364 2.7425 2.7425 3.0016 3.0016 3.0686 3.0686 3.3938 3.3938 3.4412 3.4412 6.7721 6.7721 6.8187 6.8187 7.1685 7.1685 7.3736 7.3736 7.3997 7.3997 k = 0.2121 0.6891-0.0000 ( 12403 PWs) bands (ev): -8.0048 -8.0048 -7.8464 -7.8464 -7.7863 -7.7863 -7.6784 -7.6784 -7.3332 -7.3332 -7.3242 -7.3242 0.1672 0.1672 0.4502 0.4502 0.6659 0.6659 0.7615 0.7615 0.9162 0.9162 0.9489 0.9489 1.5310 1.5310 1.6163 1.6163 2.0658 2.0658 2.1866 2.1866 2.2124 2.2124 2.4805 2.4805 2.6198 2.6198 2.7593 2.7593 2.9755 2.9755 3.0523 3.0523 3.3550 3.3550 3.4421 3.4421 6.7728 6.7728 6.8321 6.8321 7.1518 7.1518 7.3802 7.3802 7.4410 7.4410 k = 0.2189 0.7113-0.0000 ( 12411 PWs) bands (ev): -7.9885 -7.9885 -7.8384 -7.8384 -7.7923 -7.7923 -7.6829 -7.6829 -7.3352 -7.3352 -7.3221 -7.3221 0.1598 0.1598 0.4523 0.4523 0.6541 0.6541 0.7389 0.7389 0.9080 0.9080 0.9312 0.9312 1.5269 1.5269 1.6394 1.6394 2.0640 2.0640 2.1944 2.1944 2.2257 2.2257 2.4757 2.4757 2.6012 2.6012 2.7785 2.7785 2.9462 2.9462 3.0403 3.0403 3.3211 3.3211 3.4451 3.4451 6.7556 6.7556 6.8639 6.8639 7.1330 7.1330 7.3843 7.3843 7.4786 7.4786 k = 0.2258 0.7336-0.0000 ( 12415 PWs) bands (ev): -7.9733 -7.9733 -7.8307 -7.8307 -7.7990 -7.7990 -7.6879 -7.6879 -7.3369 -7.3369 -7.3204 -7.3204 0.1555 0.1555 0.4510 0.4510 0.6419 0.6419 0.7220 0.7220 0.9023 0.9023 0.9179 0.9179 1.5270 1.5270 1.6625 1.6625 2.0578 2.0578 2.2017 2.2017 2.2410 2.2410 2.4683 2.4683 2.5827 2.5827 2.7969 2.7969 2.9163 2.9163 3.0302 3.0302 3.2938 3.2938 3.4501 3.4501 6.7357 6.7357 6.8987 6.8987 7.1134 7.1134 7.3863 7.3863 7.5118 7.5118 k = 0.2326 0.7558-0.0000 ( 12429 PWs) bands (ev): -7.9593 -7.9593 -7.8235 -7.8235 -7.8064 -7.8064 -7.6933 -7.6933 -7.3381 -7.3381 -7.3191 -7.3191 0.1542 0.1542 0.4458 0.4458 0.6294 0.6294 0.7110 0.7110 0.9001 0.9001 0.9086 0.9086 1.5311 1.5311 1.6851 1.6851 2.0480 2.0480 2.2083 2.2083 2.2572 2.2572 2.4588 2.4588 2.5649 2.5649 2.8110 2.8110 2.8884 2.8884 3.0212 3.0212 3.2740 3.2740 3.4569 3.4569 6.7157 6.7157 6.9336 6.9336 7.0937 7.0937 7.3867 7.3867 7.5407 7.5407 k = 0.2395 0.7780-0.0000 ( 12423 PWs) bands (ev): -7.9467 -7.9467 -7.8187 -7.8187 -7.8124 -7.8124 -7.6991 -7.6991 -7.3387 -7.3387 -7.3183 -7.3183 0.1558 0.1558 0.4372 0.4372 0.6163 0.6163 0.7066 0.7066 0.9000 0.9000 0.9048 0.9048 1.5392 1.5392 1.7070 1.7070 2.0358 2.0358 2.2134 2.2134 2.2733 2.2733 2.4477 2.4477 2.5487 2.5487 2.8148 2.8148 2.8667 2.8667 3.0144 3.0144 3.2621 3.2621 3.4652 3.4652 6.6960 6.6960 6.9672 6.9672 7.0747 7.0747 7.3855 7.3855 7.5656 7.5656 k = 0.2463 0.8002-0.0000 ( 12435 PWs) bands (ev): -7.9356 -7.9356 -7.8251 -7.8251 -7.8085 -7.8085 -7.7053 -7.7053 -7.3389 -7.3389 -7.3180 -7.3180 0.1603 0.1603 0.4265 0.4265 0.6019 0.6019 0.7091 0.7091 0.8972 0.8972 0.9109 0.9109 1.5508 1.5508 1.7278 1.7278 2.0220 2.0220 2.2161 2.2161 2.2886 2.2886 2.4355 2.4355 2.5348 2.5348 2.8020 2.8020 2.8555 2.8555 3.0123 3.0123 3.2574 3.2574 3.4751 3.4751 6.6768 6.6768 6.9981 6.9981 7.0576 7.0576 7.3827 7.3827 7.5867 7.5867 k = 0.2532 0.8225-0.0000 ( 12451 PWs) bands (ev): -7.9259 -7.9259 -7.8347 -7.8347 -7.8025 -7.8025 -7.7118 -7.7118 -7.3385 -7.3385 -7.3180 -7.3180 0.1673 0.1673 0.4152 0.4152 0.5863 0.5863 0.7176 0.7176 0.8958 0.8958 0.9224 0.9224 1.5655 1.5655 1.7469 1.7469 2.0077 2.0077 2.2157 2.2157 2.3025 2.3025 2.4229 2.4229 2.5239 2.5239 2.7788 2.7788 2.8481 2.8481 3.0165 3.0165 3.2586 3.2586 3.4862 3.4862 6.6581 6.6581 7.0212 7.0212 7.0470 7.0470 7.3784 7.3784 7.6046 7.6046 k = 0.2600 0.8447-0.0000 ( 12439 PWs) bands (ev): -7.9178 -7.9178 -7.8453 -7.8453 -7.7967 -7.7967 -7.7187 -7.7187 -7.3375 -7.3375 -7.3184 -7.3184 0.1766 0.1766 0.4047 0.4047 0.5706 0.5706 0.7307 0.7307 0.8963 0.8963 0.9383 0.9383 1.5826 1.5826 1.7640 1.7640 1.9939 1.9939 2.2116 2.2116 2.3140 2.3140 2.4108 2.4108 2.5164 2.5164 2.7528 2.7528 2.8392 2.8392 3.0263 3.0263 3.2644 3.2644 3.4985 3.4985 6.6401 6.6401 7.0190 7.0190 7.0597 7.0597 7.3723 7.3723 7.6198 7.6198 k = 0.2668 0.8669-0.0000 ( 12447 PWs) bands (ev): -7.9112 -7.9112 -7.8567 -7.8567 -7.7913 -7.7913 -7.7260 -7.7260 -7.3361 -7.3361 -7.3193 -7.3193 0.1877 0.1877 0.3961 0.3961 0.5555 0.5555 0.7474 0.7474 0.8989 0.8989 0.9582 0.9582 1.6013 1.6013 1.7786 1.7786 1.9817 1.9817 2.2036 2.2036 2.3214 2.3214 2.4010 2.4010 2.5125 2.5125 2.7266 2.7266 2.8294 2.8294 3.0398 3.0398 3.2735 3.2735 3.5116 3.5116 6.6228 6.6228 7.0082 7.0082 7.0782 7.0782 7.3644 7.3644 7.6332 7.6332 k = 0.2737 0.8892-0.0000 ( 12443 PWs) bands (ev): -7.9062 -7.9062 -7.8688 -7.8688 -7.7863 -7.7863 -7.7336 -7.7336 -7.3341 -7.3341 -7.3204 -7.3204 0.2003 0.2003 0.3902 0.3902 0.5421 0.5421 0.7664 0.7664 0.9033 0.9033 0.9818 0.9818 1.6202 1.6202 1.7904 1.7904 1.9723 1.9723 2.1921 2.1921 2.3226 2.3226 2.3957 2.3957 2.5119 2.5119 2.7015 2.7015 2.8209 2.8209 3.0549 3.0549 3.2851 3.2851 3.5255 3.5255 6.6061 6.6061 6.9986 6.9986 7.0917 7.0917 7.3543 7.3543 7.6452 7.6455 k = 0.2737 0.8892-0.0000 ( 12443 PWs) bands (ev): -7.9062 -7.9062 -7.8688 -7.8688 -7.7863 -7.7863 -7.7336 -7.7336 -7.3341 -7.3341 -7.3204 -7.3204 0.2003 0.2003 0.3902 0.3902 0.5421 0.5421 0.7664 0.7664 0.9033 0.9033 0.9818 0.9818 1.6202 1.6202 1.7904 1.7904 1.9723 1.9723 2.1921 2.1921 2.3226 2.3226 2.3957 2.3957 2.5119 2.5119 2.7015 2.7015 2.8209 2.8209 3.0549 3.0549 3.2851 3.2851 3.5255 3.5255 6.6061 6.6061 6.9986 6.9986 7.0917 7.0917 7.3543 7.3543 7.6451 7.6451 k = 0.2509 0.8892-0.0000 ( 12431 PWs) bands (ev): -7.9081 -7.9081 -7.8646 -7.8646 -7.7880 -7.7880 -7.7310 -7.7310 -7.3348 -7.3348 -7.3200 -7.3200 0.1972 0.1972 0.3915 0.3915 0.5454 0.5454 0.7588 0.7588 0.9044 0.9044 0.9734 0.9734 1.6147 1.6147 1.7884 1.7884 1.9745 1.9745 2.1927 2.1927 2.3250 2.3250 2.3972 2.3972 2.5110 2.5110 2.7085 2.7085 2.8252 2.8252 3.0501 3.0501 3.2812 3.2812 3.5212 3.5212 6.6110 6.6110 7.0026 7.0026 7.0879 7.0879 7.3576 7.3576 7.6397 7.6397 k = 0.2281 0.8892-0.0000 ( 12440 PWs) bands (ev): -7.9109 -7.9109 -7.8597 -7.8597 -7.7901 -7.7901 -7.7281 -7.7281 -7.3354 -7.3354 -7.3197 -7.3197 0.1956 0.1956 0.3928 0.3928 0.5479 0.5479 0.7485 0.7485 0.9097 0.9097 0.9631 0.9631 1.6091 1.6091 1.7886 1.7886 1.9767 1.9767 2.1882 2.1882 2.3290 2.3290 2.4006 2.4006 2.5087 2.5087 2.7154 2.7154 2.8336 2.8336 3.0447 3.0447 3.2769 3.2769 3.5166 3.5166 6.6161 6.6161 7.0093 7.0093 7.0820 7.0820 7.3607 7.3607 7.6303 7.6303 k = 0.2053 0.8892-0.0000 ( 12448 PWs) bands (ev): -7.9140 -7.9140 -7.8547 -7.8547 -7.7925 -7.7925 -7.7251 -7.7251 -7.3359 -7.3359 -7.3194 -7.3194 0.1954 0.1954 0.3937 0.3937 0.5497 0.5497 0.7373 0.7373 0.9151 0.9151 0.9534 0.9534 1.6040 1.6040 1.7905 1.7905 1.9789 1.9789 2.1808 2.1808 2.3323 2.3323 2.4056 2.4056 2.5052 2.5052 2.7222 2.7222 2.8458 2.8458 3.0387 3.0387 3.2723 3.2723 3.5116 3.5116 6.6212 6.6212 7.0181 7.0181 7.0744 7.0744 7.3637 7.3637 7.6188 7.6188 k = 0.1825 0.8892-0.0000 ( 12433 PWs) bands (ev): -7.9171 -7.9171 -7.8499 -7.8499 -7.7948 -7.7948 -7.7221 -7.7221 -7.3365 -7.3365 -7.3191 -7.3191 0.1968 0.1968 0.3937 0.3937 0.5513 0.5513 0.7266 0.7266 0.9127 0.9127 0.9511 0.9511 1.5999 1.5999 1.7934 1.7934 1.9813 1.9813 2.1720 2.1720 2.3343 2.3343 2.4114 2.4114 2.5006 2.5006 2.7290 2.7290 2.8608 2.8608 3.0326 3.0326 3.2677 3.2677 3.5063 3.5063 6.6260 6.6260 7.0280 7.0280 7.0657 7.0657 7.3664 7.3664 7.6069 7.6069 k = 0.1596 0.8892-0.0000 ( 12431 PWs) bands (ev): -7.9199 -7.9199 -7.8454 -7.8454 -7.7971 -7.7971 -7.7192 -7.7192 -7.3370 -7.3370 -7.3188 -7.3188 0.1996 0.1996 0.3921 0.3921 0.5534 0.5534 0.7171 0.7171 0.8997 0.8997 0.9585 0.9585 1.5970 1.5970 1.7964 1.7964 1.9841 1.9841 2.1629 2.1629 2.3353 2.3353 2.4168 2.4168 2.4949 2.4949 2.7360 2.7360 2.8773 2.8773 3.0264 3.0264 3.2634 3.2634 3.5008 3.5008 6.6304 6.6304 7.0352 7.0352 7.0594 7.0594 7.3689 7.3689 7.5964 7.5964 k = 0.1368 0.8892-0.0000 ( 12434 PWs) bands (ev): -7.9226 -7.9226 -7.8414 -7.8414 -7.7992 -7.7992 -7.7166 -7.7166 -7.3374 -7.3374 -7.3186 -7.3186 0.2038 0.2038 0.3883 0.3883 0.5570 0.5570 0.7090 0.7090 0.8821 0.8821 0.9695 0.9695 1.5954 1.5954 1.7989 1.7989 1.9877 1.9877 2.1542 2.1542 2.3358 2.3358 2.4211 2.4211 2.4883 2.4883 2.7434 2.7434 2.8938 2.8938 3.0208 3.0208 3.2594 3.2594 3.4953 3.4953 6.6341 6.6341 7.0315 7.0315 7.0634 7.0634 7.3711 7.3711 7.5885 7.5885 k = 0.1140 0.8892-0.0000 ( 12428 PWs) bands (ev): -7.9249 -7.9249 -7.8380 -7.8380 -7.8010 -7.8010 -7.7142 -7.7142 -7.3378 -7.3378 -7.3184 -7.3184 0.2091 0.2091 0.3823 0.3823 0.5628 0.5628 0.7018 0.7018 0.8633 0.8633 0.9807 0.9807 1.5950 1.5950 1.8003 1.8003 1.9922 1.9922 2.1461 2.1461 2.3364 2.3364 2.4245 2.4245 2.4810 2.4810 2.7510 2.7510 2.9087 2.9087 3.0163 3.0163 3.2560 3.2560 3.4901 3.4901 6.6370 6.6370 7.0209 7.0209 7.0740 7.0740 7.3729 7.3729 7.5838 7.5838 k = 0.0912 0.8892-0.0000 ( 12420 PWs) bands (ev): -7.9268 -7.9268 -7.8351 -7.8351 -7.8026 -7.8026 -7.7123 -7.7123 -7.3381 -7.3381 -7.3182 -7.3182 0.2152 0.2152 0.3745 0.3745 0.5708 0.5708 0.6952 0.6952 0.8451 0.8451 0.9910 0.9910 1.5955 1.5955 1.8006 1.8006 1.9975 1.9975 2.1388 2.1388 2.3371 2.3371 2.4273 2.4273 2.4731 2.4731 2.7585 2.7585 2.9206 2.9206 3.0136 3.0136 3.2531 3.2531 3.4854 3.4854 6.6391 6.6391 7.0093 7.0093 7.0850 7.0850 7.3743 7.3743 7.5822 7.5822 k = 0.0684 0.8892-0.0000 ( 12423 PWs) bands (ev): -7.9283 -7.9283 -7.8328 -7.8328 -7.8039 -7.8039 -7.7107 -7.7107 -7.3384 -7.3384 -7.3181 -7.3181 0.2216 0.2216 0.3659 0.3659 0.5805 0.5805 0.6886 0.6886 0.8291 0.8291 0.9995 0.9995 1.5965 1.5965 1.7999 1.7999 2.0031 2.0031 2.1324 2.1324 2.3380 2.3380 2.4300 2.4300 2.4651 2.4651 2.7652 2.7652 2.9285 2.9285 3.0129 3.0129 3.2509 3.2509 3.4814 3.4814 6.6406 6.6406 6.9989 6.9989 7.0948 7.0948 7.3754 7.3754 7.5832 7.5832 k = 0.0456 0.8892-0.0000 ( 12417 PWs) bands (ev): -7.9294 -7.9294 -7.8312 -7.8312 -7.8048 -7.8048 -7.7096 -7.7096 -7.3386 -7.3386 -7.3180 -7.3180 0.2275 0.2275 0.3580 0.3580 0.5905 0.5905 0.6820 0.6820 0.8166 0.8166 1.0059 1.0059 1.5977 1.5977 1.7987 1.7987 2.0081 2.0081 2.1273 2.1273 2.3388 2.3388 2.4331 2.4331 2.4573 2.4573 2.7707 2.7707 2.9328 2.9328 3.0139 3.0139 3.2494 3.2494 3.4784 3.4784 6.6414 6.6414 6.9909 6.9909 7.1023 7.1023 7.3761 7.3761 7.5857 7.5857 k = 0.0228 0.8892-0.0000 ( 12427 PWs) bands (ev): -7.9300 -7.9300 -7.8302 -7.8302 -7.8053 -7.8053 -7.7089 -7.7089 -7.3387 -7.3387 -7.3180 -7.3180 0.2317 0.2317 0.3523 0.3523 0.5986 0.5986 0.6765 0.6765 0.8086 0.8086 1.0099 1.0099 1.5985 1.5985 1.7978 1.7978 2.0118 2.0118 2.1239 2.1239 2.3395 2.3395 2.4367 2.4367 2.4504 2.4504 2.7743 2.7743 2.9345 2.9345 3.0153 3.0153 3.2485 3.2485 3.4766 3.4766 6.6418 6.6418 6.9858 6.9858 7.1071 7.1071 7.3765 7.3765 7.5882 7.5882 k = 0.0000 0.8892-0.0000 ( 12422 PWs) bands (ev): -7.9302 -7.9302 -7.8298 -7.8298 -7.8055 -7.8055 -7.7087 -7.7087 -7.3387 -7.3387 -7.3179 -7.3179 0.2332 0.2332 0.3502 0.3502 0.6018 0.6018 0.6742 0.6742 0.8059 0.8059 1.0112 1.0112 1.5989 1.5989 1.7974 1.7974 2.0131 2.0131 2.1227 2.1227 2.3397 2.3397 2.4394 2.4394 2.4466 2.4466 2.7756 2.7756 2.9349 2.9349 3.0159 3.0159 3.2482 3.2482 3.4759 3.4759 6.6420 6.6420 6.9840 6.9840 7.1087 7.1087 7.3767 7.3767 7.5893 7.5893 k = 0.0000 0.8892-0.0000 ( 12422 PWs) bands (ev): -7.9302 -7.9302 -7.8298 -7.8298 -7.8055 -7.8055 -7.7087 -7.7087 -7.3387 -7.3387 -7.3179 -7.3179 0.2332 0.2332 0.3502 0.3502 0.6018 0.6018 0.6742 0.6742 0.8059 0.8059 1.0112 1.0112 1.5989 1.5989 1.7974 1.7974 2.0131 2.0131 2.1227 2.1227 2.3397 2.3397 2.4394 2.4394 2.4466 2.4466 2.7756 2.7756 2.9349 2.9349 3.0159 3.0159 3.2482 3.2482 3.4759 3.4759 6.6420 6.6420 6.9840 6.9840 7.1087 7.1087 7.3767 7.3767 7.5893 7.5893 k = 0.0000 0.8892 0.0229 ( 12418 PWs) bands (ev): -7.9300 -7.9300 -7.8303 -7.8303 -7.8051 -7.8051 -7.7089 -7.7089 -7.3387 -7.3387 -7.3180 -7.3180 0.2348 0.2348 0.3509 0.3509 0.6018 0.6018 0.6757 0.6757 0.8052 0.8052 1.0114 1.0114 1.5945 1.5945 1.7946 1.7946 2.0052 2.0052 2.1297 2.1297 2.3389 2.3389 2.4336 2.4336 2.4557 2.4557 2.7745 2.7745 2.9366 2.9366 3.0169 3.0169 3.2494 3.2494 3.4756 3.4756 6.6430 6.6430 6.9835 6.9835 7.1085 7.1085 7.3703 7.3703 7.5976 7.5976 k = 0.0000 0.8892 0.0458 ( 12418 PWs) bands (ev): -7.9294 -7.9294 -7.8315 -7.8315 -7.8039 -7.8039 -7.7096 -7.7096 -7.3385 -7.3385 -7.3181 -7.3181 0.2393 0.2393 0.3531 0.3531 0.6018 0.6018 0.6802 0.6802 0.8033 0.8033 1.0119 1.0119 1.5818 1.5818 1.7855 1.7855 1.9881 1.9881 2.1450 2.1450 2.3374 2.3374 2.4268 2.4268 2.4716 2.4716 2.7715 2.7715 2.9414 2.9414 3.0196 3.0196 3.2535 3.2535 3.4747 3.4747 6.6463 6.6463 6.9820 6.9820 7.1081 7.1081 7.3540 7.3540 7.6198 7.6198 k = 0.0000 0.8892 0.0687 ( 12426 PWs) bands (ev): -7.9283 -7.9283 -7.8335 -7.8335 -7.8021 -7.8021 -7.7107 -7.7107 -7.3383 -7.3383 -7.3184 -7.3184 0.2467 0.2467 0.3568 0.3568 0.6015 0.6015 0.6876 0.6876 0.8006 0.8006 1.0122 1.0122 1.5616 1.5616 1.7682 1.7682 1.9715 1.9715 2.1605 2.1605 2.3368 2.3368 2.4204 2.4204 2.4913 2.4913 2.7670 2.7670 2.9487 2.9487 3.0225 3.0225 3.2611 3.2611 3.4734 3.4734 6.6518 6.6518 6.9798 6.9798 7.1072 7.1072 7.3328 7.3328 7.6502 7.6502 k = 0.0000 0.8892 0.0916 ( 12418 PWs) bands (ev): -7.9269 -7.9269 -7.8359 -7.8359 -7.7998 -7.7998 -7.7122 -7.7122 -7.3379 -7.3379 -7.3187 -7.3187 0.2568 0.2568 0.3623 0.3623 0.6006 0.6006 0.6977 0.6977 0.7978 0.7978 1.0121 1.0121 1.5351 1.5351 1.7417 1.7417 1.9603 1.9603 2.1724 2.1724 2.3386 2.3386 2.4142 2.4142 2.5132 2.5132 2.7617 2.7617 2.9574 2.9574 3.0241 3.0241 3.2733 3.2733 3.4721 3.4721 6.6593 6.6593 6.9770 6.9770 7.1060 7.1060 7.3104 7.3104 7.6835 7.6835 k = 0.0000 0.8892 0.1145 ( 12420 PWs) bands (ev): -7.9250 -7.9250 -7.8388 -7.8388 -7.7971 -7.7971 -7.7141 -7.7141 -7.3375 -7.3375 -7.3192 -7.3192 0.2692 0.2692 0.3697 0.3697 0.5987 0.5987 0.7100 0.7100 0.7959 0.7959 1.0109 1.0109 1.5035 1.5035 1.7073 1.7073 1.9556 1.9556 2.1791 2.1791 2.3434 2.3434 2.4087 2.4087 2.5358 2.5358 2.7560 2.7560 2.9666 2.9666 3.0228 3.0228 3.2905 3.2905 3.4714 3.4714 6.6690 6.6690 6.9739 6.9739 7.1045 7.1045 7.2890 7.2890 7.7136 7.7137 k = 0.0000 0.8892 0.1373 ( 12424 PWs) bands (ev): -7.9228 -7.9228 -7.8420 -7.8420 -7.7941 -7.7941 -7.7163 -7.7163 -7.3370 -7.3370 -7.3197 -7.3197 0.2835 0.2835 0.3794 0.3794 0.5954 0.5954 0.7241 0.7241 0.7956 0.7956 1.0082 1.0082 1.4682 1.4682 1.6676 1.6676 1.9562 1.9562 2.1806 2.1806 2.3510 2.3510 2.4041 2.4041 2.5579 2.5579 2.7506 2.7506 2.9750 2.9750 3.0182 3.0182 3.3123 3.3123 3.4716 3.4716 6.6806 6.6806 6.9707 6.9707 7.1029 7.1029 7.2696 7.2696 7.7294 7.7294 k = 0.0000 0.8892 0.1602 ( 12428 PWs) bands (ev): -7.9202 -7.9202 -7.8455 -7.8455 -7.7909 -7.7909 -7.7190 -7.7190 -7.3364 -7.3364 -7.3203 -7.3203 0.2991 0.2991 0.3916 0.3916 0.5907 0.5907 0.7390 0.7390 0.7976 0.7976 1.0035 1.0035 1.4309 1.4309 1.6248 1.6248 1.9604 1.9604 2.1778 2.1778 2.3604 2.3604 2.4010 2.4010 2.5787 2.5787 2.7458 2.7458 2.9813 2.9813 3.0110 3.0110 3.3378 3.3378 3.4734 3.4734 6.6941 6.6941 6.9672 6.9672 7.1014 7.1014 7.2525 7.2525 7.7284 7.7284 k = 0.0000 0.8892 0.1831 ( 12416 PWs) bands (ev): -7.9172 -7.9172 -7.8493 -7.8493 -7.7874 -7.7874 -7.7220 -7.7220 -7.3357 -7.3357 -7.3210 -7.3210 0.3153 0.3153 0.4065 0.4065 0.5847 0.5847 0.7535 0.7535 0.8027 0.8027 0.9968 0.9968 1.3930 1.3930 1.5808 1.5808 1.9672 1.9672 2.1715 2.1715 2.3703 2.3703 2.3995 2.3995 2.5978 2.5978 2.7419 2.7419 2.9830 2.9830 3.0033 3.0033 3.3654 3.3654 3.4770 3.4770 6.7095 6.7095 6.9634 6.9634 7.1005 7.1005 7.2379 7.2379 7.7124 7.7124 k = 0.0000 0.8892 0.2060 ( 12416 PWs) bands (ev): -7.9140 -7.9140 -7.8533 -7.8533 -7.7837 -7.7837 -7.7253 -7.7253 -7.3349 -7.3349 -7.3217 -7.3217 0.3317 0.3317 0.4238 0.4238 0.5781 0.5781 0.7660 0.7660 0.8111 0.8111 0.9880 0.9880 1.3565 1.3565 1.5367 1.5367 1.9760 1.9760 2.1626 2.1626 2.3794 2.3794 2.3999 2.3999 2.6154 2.6154 2.7389 2.7389 2.9775 2.9775 2.9984 2.9984 3.3936 3.3936 3.4826 3.4826 6.7265 6.7265 6.9588 6.9588 7.1006 7.1006 7.2255 7.2255 7.6854 7.6854 k = 0.0000 0.8892 0.2289 ( 12424 PWs) bands (ev): -7.9104 -7.9104 -7.8574 -7.8574 -7.7798 -7.7798 -7.7288 -7.7288 -7.3341 -7.3341 -7.3226 -7.3226 0.3478 0.3478 0.4421 0.4421 0.5727 0.5727 0.7746 0.7746 0.8226 0.8226 0.9776 0.9776 1.3233 1.3233 1.4934 1.4934 1.9863 1.9863 2.1518 2.1518 2.3866 2.3866 2.4026 2.4026 2.6317 2.6317 2.7367 2.7367 2.9671 2.9671 2.9945 2.9945 3.4211 3.4211 3.4898 3.4898 6.7450 6.7450 6.9528 6.9528 7.1024 7.1024 7.2150 7.2150 7.6535 7.6535 k = 0.0000 0.8892 0.2518 ( 12434 PWs) bands (ev): -7.9066 -7.9066 -7.8618 -7.8618 -7.7757 -7.7757 -7.7326 -7.7326 -7.3332 -7.3332 -7.3234 -7.3234 0.3636 0.3636 0.4586 0.4586 0.5712 0.5712 0.7779 0.7779 0.8362 0.8362 0.9665 0.9665 1.2955 1.2955 1.4514 1.4514 1.9979 1.9979 2.1395 2.1395 2.3917 2.3917 2.4068 2.4068 2.6470 2.6470 2.7349 2.7349 2.9560 2.9560 2.9888 2.9888 3.4466 3.4466 3.4980 3.4980 6.7648 6.7648 6.9450 6.9450 7.1062 7.1062 7.2056 7.2056 7.6211 7.6211 k = 0.0000 0.8892 0.2747 ( 12428 PWs) bands (ev): -7.9026 -7.9026 -7.8663 -7.8663 -7.7715 -7.7715 -7.7366 -7.7366 -7.3323 -7.3323 -7.3243 -7.3243 0.3791 0.3791 0.4686 0.4686 0.5783 0.5783 0.7740 0.7740 0.8510 0.8510 0.9557 0.9557 1.2751 1.2751 1.4115 1.4115 2.0104 2.0104 2.1262 2.1262 2.3960 2.3960 2.4108 2.4108 2.6615 2.6615 2.7329 2.7329 2.9465 2.9465 2.9810 2.9810 3.4691 3.4691 3.5062 3.5062 6.7855 6.7855 6.9349 6.9349 7.1125 7.1125 7.1968 7.1968 7.5916 7.5916 k = 0.0000 0.8892 0.2976 ( 12428 PWs) bands (ev): -7.8983 -7.8983 -7.8708 -7.8708 -7.7672 -7.7672 -7.7408 -7.7408 -7.3313 -7.3313 -7.3253 -7.3253 0.3943 0.3943 0.4693 0.4693 0.5961 0.5961 0.7617 0.7617 0.8662 0.8662 0.9454 0.9454 1.2637 1.2637 1.3741 1.3741 2.0238 2.0238 2.1120 2.1120 2.4001 2.4001 2.4135 2.4135 2.6752 2.6752 2.7300 2.7300 2.9399 2.9399 2.9714 2.9714 3.4880 3.4880 3.5134 3.5134 6.8069 6.8069 6.9223 6.9223 7.1210 7.1210 7.1879 7.1879 7.5674 7.5674 k = 0.0000 0.8892 0.3205 ( 12422 PWs) bands (ev): -7.8939 -7.8939 -7.8755 -7.8755 -7.7628 -7.7628 -7.7451 -7.7451 -7.3304 -7.3304 -7.3263 -7.3263 0.4094 0.4094 0.4625 0.4625 0.6224 0.6224 0.7415 0.7415 0.8816 0.8816 0.9352 0.9352 1.2621 1.2621 1.3402 1.3402 2.0379 2.0379 2.0973 2.0973 2.4042 2.4042 2.4144 2.4144 2.6881 2.6881 2.7255 2.7255 2.9371 2.9371 2.9612 2.9612 3.5027 3.5027 3.5184 3.5184 6.8285 6.8285 6.9072 6.9072 7.1316 7.1316 7.1782 7.1782 7.5503 7.5503 k = 0.0000 0.8892 0.3434 ( 12428 PWs) bands (ev): -7.8894 -7.8894 -7.8801 -7.8801 -7.7584 -7.7584 -7.7495 -7.7495 -7.3293 -7.3293 -7.3273 -7.3273 0.4242 0.4242 0.4516 0.4516 0.6529 0.6529 0.7150 0.7150 0.8968 0.8968 0.9239 0.9239 1.2701 1.2701 1.3107 1.3107 2.0524 2.0524 2.0824 2.0824 2.4080 2.4080 2.4136 2.4136 2.7000 2.7000 2.7190 2.7190 2.9384 2.9384 2.9515 2.9515 3.5130 3.5130 3.5205 3.5205 6.8499 6.8499 6.8897 6.8897 7.1433 7.1433 7.1673 7.1673 7.5415 7.5416 k = 0.0000 0.8892 0.3663 ( 12428 PWs) bands (ev): -7.8848 -7.8848 -7.8848 -7.8848 -7.7539 -7.7539 -7.7539 -7.7539 -7.3283 -7.3283 -7.3283 -7.3283 0.4384 0.4384 0.4384 0.4384 0.6847 0.6847 0.6847 0.6847 0.9110 0.9110 0.9110 0.9110 1.2868 1.2868 1.2868 1.2868 2.0673 2.0673 2.0673 2.0673 2.4113 2.4113 2.4113 2.4113 2.7104 2.7104 2.7104 2.7104 2.9435 2.9435 2.9435 2.9435 3.5188 3.5188 3.5188 3.5188 6.8705 6.8705 6.8705 6.8705 7.1555 7.1555 7.1555 7.1555 7.5416 7.5416 k = 0.0000 0.8892 0.3663 ( 12428 PWs) bands (ev): -7.8848 -7.8848 -7.8848 -7.8848 -7.7539 -7.7539 -7.7539 -7.7539 -7.3283 -7.3283 -7.3283 -7.3283 0.4384 0.4384 0.4384 0.4384 0.6847 0.6847 0.6847 0.6847 0.9110 0.9110 0.9110 0.9110 1.2868 1.2868 1.2868 1.2868 2.0673 2.0673 2.0673 2.0673 2.4113 2.4113 2.4113 2.4113 2.7104 2.7104 2.7104 2.7104 2.9435 2.9435 2.9435 2.9435 3.5188 3.5188 3.5188 3.5188 6.8705 6.8705 6.8705 6.8705 7.1555 7.1555 7.1555 7.1555 7.5416 7.5416 k = 0.0228 0.8892 0.3663 ( 12412 PWs) bands (ev): -7.8848 -7.8848 -7.8845 -7.8845 -7.7542 -7.7542 -7.7540 -7.7540 -7.3284 -7.3284 -7.3282 -7.3282 0.4375 0.4375 0.4386 0.4386 0.6846 0.6846 0.6854 0.6854 0.9083 0.9083 0.9139 0.9139 1.2860 1.2860 1.2895 1.2895 2.0672 2.0672 2.0674 2.0674 2.4038 2.4038 2.4162 2.4162 2.6980 2.6980 2.7234 2.7234 2.9393 2.9393 2.9494 2.9494 3.5138 3.5138 3.5225 3.5225 6.8604 6.8604 6.8787 6.8787 7.1510 7.1510 7.1640 7.1640 7.5395 7.5396 k = 0.0456 0.8892 0.3663 ( 12420 PWs) bands (ev): -7.8846 -7.8846 -7.8839 -7.8839 -7.7550 -7.7550 -7.7546 -7.7546 -7.3285 -7.3285 -7.3280 -7.3280 0.4358 0.4358 0.4379 0.4379 0.6854 0.6854 0.6866 0.6866 0.9058 0.9058 0.9170 0.9170 1.2869 1.2869 1.2940 1.2940 2.0672 2.0672 2.0676 2.0676 2.3940 2.3940 2.4179 2.4179 2.6870 2.6870 2.7366 2.7366 2.9369 2.9369 2.9569 2.9569 3.5076 3.5076 3.5248 3.5248 6.8492 6.8492 6.8845 6.8845 7.1510 7.1510 7.1756 7.1756 7.5363 7.5375 k = 0.0684 0.8892 0.3663 ( 12414 PWs) bands (ev): -7.8841 -7.8841 -7.8830 -7.8830 -7.7562 -7.7562 -7.7556 -7.7556 -7.3285 -7.3285 -7.3278 -7.3278 0.4334 0.4334 0.4364 0.4364 0.6870 0.6870 0.6882 0.6882 0.9034 0.9034 0.9205 0.9205 1.2893 1.2893 1.3000 1.3000 2.0675 2.0675 2.0677 2.0677 2.3828 2.3828 2.4162 2.4162 2.6778 2.6778 2.7495 2.7495 2.9361 2.9361 2.9658 2.9658 3.5004 3.5004 3.5255 3.5255 6.8378 6.8378 6.8875 6.8875 7.1553 7.1553 7.1892 7.1892 7.5320 7.5320 k = 0.0912 0.8892 0.3663 ( 12416 PWs) bands (ev): -7.8833 -7.8833 -7.8819 -7.8819 -7.7578 -7.7578 -7.7570 -7.7570 -7.3285 -7.3285 -7.3276 -7.3276 0.4306 0.4306 0.4344 0.4344 0.6894 0.6894 0.6901 0.6901 0.9012 0.9012 0.9244 0.9244 1.2931 1.2931 1.3072 1.3072 2.0680 2.0680 2.0680 2.0680 2.3706 2.3706 2.4113 2.4113 2.6706 2.6706 2.7617 2.7617 2.9367 2.9367 2.9756 2.9756 3.4925 3.4925 3.5248 3.5248 6.8266 6.8266 6.8880 6.8880 7.1634 7.1634 7.2040 7.2040 7.5271 7.5271 k = 0.1140 0.8892 0.3663 ( 12406 PWs) bands (ev): -7.8823 -7.8823 -7.8806 -7.8806 -7.7598 -7.7598 -7.7588 -7.7588 -7.3285 -7.3285 -7.3274 -7.3274 0.4274 0.4274 0.4319 0.4319 0.6921 0.6921 0.6926 0.6926 0.8990 0.8990 0.9287 0.9287 1.2977 1.2977 1.3153 1.3153 2.0684 2.0684 2.0692 2.0692 2.3582 2.3582 2.4035 2.4035 2.6656 2.6656 2.7729 2.7729 2.9382 2.9382 2.9860 2.9860 3.4842 3.4842 3.5226 3.5226 6.8163 6.8163 6.8866 6.8866 7.1742 7.1742 7.2189 7.2189 7.5219 7.5222 k = 0.1368 0.8892 0.3663 ( 12414 PWs) bands (ev): -7.8811 -7.8811 -7.8791 -7.8791 -7.7621 -7.7621 -7.7609 -7.7609 -7.3285 -7.3285 -7.3271 -7.3271 0.4241 0.4241 0.4292 0.4292 0.6942 0.6942 0.6966 0.6966 0.8969 0.8969 0.9333 0.9333 1.3028 1.3028 1.3237 1.3237 2.0691 2.0691 2.0709 2.0709 2.3462 2.3462 2.3936 2.3936 2.6624 2.6624 2.7830 2.7830 2.9403 2.9403 2.9965 2.9965 3.4758 3.4758 3.5193 3.5193 6.8070 6.8070 6.8838 6.8838 7.1863 7.1863 7.2329 7.2329 7.5168 7.5168 k = 0.1596 0.8892 0.3663 ( 12420 PWs) bands (ev): -7.8798 -7.8798 -7.8774 -7.8774 -7.7646 -7.7646 -7.7633 -7.7633 -7.3284 -7.3284 -7.3268 -7.3268 0.4208 0.4208 0.4265 0.4265 0.6964 0.6964 0.7013 0.7013 0.8948 0.8948 0.9380 0.9380 1.3080 1.3080 1.3321 1.3321 2.0701 2.0701 2.0734 2.0734 2.3354 2.3354 2.3827 2.3827 2.6608 2.6608 2.7916 2.7916 2.9426 2.9426 3.0064 3.0064 3.4676 3.4676 3.5150 3.5150 6.7990 6.7990 6.8804 6.8804 7.1984 7.1984 7.2452 7.2452 7.5119 7.5119 k = 0.1825 0.8892 0.3663 ( 12406 PWs) bands (ev): -7.8785 -7.8785 -7.8758 -7.8758 -7.7674 -7.7674 -7.7659 -7.7659 -7.3283 -7.3283 -7.3265 -7.3265 0.4177 0.4177 0.4241 0.4241 0.6988 0.6988 0.7066 0.7066 0.8927 0.8927 0.9428 0.9428 1.3128 1.3128 1.3398 1.3398 2.0712 2.0712 2.0765 2.0765 2.3266 2.3266 2.3717 2.3717 2.6603 2.6603 2.7986 2.7986 2.9448 2.9448 3.0153 3.0153 3.4601 3.4601 3.5102 3.5102 6.7923 6.7923 6.8768 6.8768 7.2092 7.2092 7.2552 7.2552 7.5075 7.5075 k = 0.2053 0.8892 0.3663 ( 12420 PWs) bands (ev): -7.8772 -7.8772 -7.8742 -7.8742 -7.7702 -7.7702 -7.7685 -7.7685 -7.3281 -7.3281 -7.3262 -7.3262 0.4148 0.4148 0.4221 0.4221 0.7014 0.7014 0.7124 0.7124 0.8906 0.8906 0.9473 0.9473 1.3170 1.3170 1.3466 1.3466 2.0724 2.0724 2.0801 2.0801 2.3204 2.3204 2.3618 2.3618 2.6605 2.6605 2.8036 2.8036 2.9467 2.9467 3.0224 3.0224 3.4537 3.4537 3.5054 3.5054 6.7870 6.7870 6.8733 6.8733 7.2180 7.2180 7.2624 7.2624 7.5036 7.5036 k = 0.2281 0.8892 0.3663 ( 12416 PWs) bands (ev): -7.8761 -7.8761 -7.8729 -7.8729 -7.7729 -7.7729 -7.7712 -7.7712 -7.3280 -7.3280 -7.3259 -7.3259 0.4124 0.4124 0.4207 0.4207 0.7043 0.7043 0.7187 0.7187 0.8886 0.8886 0.9514 0.9514 1.3203 1.3203 1.3520 1.3520 2.0734 2.0734 2.0839 2.0839 2.3175 2.3175 2.3541 2.3541 2.6612 2.6612 2.8062 2.8062 2.9484 2.9484 3.0273 3.0273 3.4485 3.4485 3.5010 3.5010 6.7830 6.7830 6.8703 6.8703 7.2239 7.2239 7.2665 7.2665 7.5001 7.5001 k = 0.2509 0.8892 0.3663 ( 12410 PWs) bands (ev): -7.8752 -7.8752 -7.8718 -7.8718 -7.7754 -7.7754 -7.7737 -7.7737 -7.3278 -7.3278 -7.3256 -7.3256 0.4105 0.4105 0.4201 0.4201 0.7076 0.7076 0.7252 0.7252 0.8865 0.8865 0.9547 0.9547 1.3227 1.3227 1.3558 1.3558 2.0739 2.0739 2.0876 2.0876 2.3185 2.3185 2.3492 2.3492 2.6622 2.6622 2.8061 2.8061 2.9499 2.9499 3.0294 3.0294 3.4451 3.4451 3.4977 3.4977 6.7801 6.7801 6.8677 6.8677 7.2266 7.2266 7.2676 7.2676 7.4969 7.4969 k = 0.2737 0.8892 0.3663 ( 12410 PWs) bands (ev): -7.8748 -7.8748 -7.8713 -7.8713 -7.7776 -7.7776 -7.7758 -7.7758 -7.3276 -7.3276 -7.3253 -7.3253 0.4091 0.4091 0.4204 0.4204 0.7113 0.7113 0.7317 0.7317 0.8847 0.8847 0.9572 0.9572 1.3241 1.3241 1.3578 1.3578 2.0735 2.0735 2.0905 2.0905 2.3236 2.3236 2.3477 2.3477 2.6635 2.6635 2.8030 2.8030 2.9516 2.9516 3.0285 3.0285 3.4434 3.4434 3.4958 3.4958 6.7783 6.7783 6.8658 6.8658 7.2260 7.2260 7.2657 7.2657 7.4939 7.4939 k = 0.2737 0.8892 0.3663 ( 12410 PWs) bands (ev): -7.8748 -7.8748 -7.8713 -7.8713 -7.7776 -7.7776 -7.7758 -7.7758 -7.3276 -7.3276 -7.3253 -7.3253 0.4091 0.4091 0.4204 0.4204 0.7113 0.7113 0.7317 0.7317 0.8847 0.8847 0.9572 0.9572 1.3241 1.3241 1.3578 1.3578 2.0735 2.0735 2.0905 2.0905 2.3236 2.3236 2.3477 2.3477 2.6635 2.6635 2.8030 2.8030 2.9516 2.9516 3.0285 3.0285 3.4434 3.4434 3.4958 3.4958 6.7783 6.7783 6.8658 6.8658 7.2260 7.2260 7.2657 7.2657 7.4939 7.4939 k = 0.2668 0.8669 0.3663 ( 12414 PWs) bands (ev): -7.8762 -7.8762 -7.8729 -7.8729 -7.7710 -7.7710 -7.7690 -7.7690 -7.3282 -7.3282 -7.3263 -7.3263 0.4141 0.4141 0.4188 0.4188 0.6985 0.6985 0.7098 0.7098 0.8917 0.8917 0.9513 0.9513 1.3207 1.3207 1.3543 1.3543 2.0744 2.0744 2.0784 2.0784 2.3012 2.3012 2.3498 2.3498 2.6592 2.6592 2.8178 2.8178 2.9475 2.9475 3.0377 3.0377 3.4463 3.4463 3.4995 3.4995 6.7829 6.7829 6.8715 6.8715 7.2321 7.2321 7.2749 7.2749 7.5030 7.5031 k = 0.2600 0.8447 0.3663 ( 12418 PWs) bands (ev): -7.8791 -7.8791 -7.8761 -7.8761 -7.7644 -7.7644 -7.7623 -7.7623 -7.3286 -7.3286 -7.3271 -7.3271 0.4196 0.4196 0.4216 0.4216 0.6869 0.6869 0.6895 0.6895 0.9008 0.9008 0.9477 0.9477 1.3174 1.3174 1.3514 1.3514 2.0598 2.0598 2.0701 2.0701 2.2849 2.2849 2.3587 2.3587 2.6565 2.6565 2.8288 2.8288 2.9488 2.9488 3.0480 3.0480 3.4501 3.4501 3.5034 3.5034 6.7879 6.7879 6.8773 6.8773 7.2348 7.2348 7.2799 7.2799 7.5115 7.5115 k = 0.2532 0.8225 0.3663 ( 12418 PWs) bands (ev): -7.8835 -7.8835 -7.8808 -7.8808 -7.7581 -7.7581 -7.7557 -7.7557 -7.3287 -7.3287 -7.3277 -7.3277 0.4227 0.4227 0.4315 0.4315 0.6712 0.6712 0.6770 0.6770 0.9119 0.9119 0.9463 0.9463 1.3144 1.3144 1.3488 1.3488 2.0359 2.0359 2.0589 2.0589 2.2764 2.2764 2.3731 2.3731 2.6553 2.6553 2.8354 2.8354 2.9558 2.9558 3.0590 3.0590 3.4552 3.4552 3.5077 3.5077 6.7933 6.7933 6.8832 6.8832 7.2344 7.2344 7.2809 7.2809 7.5202 7.5202 k = 0.2463 0.8002 0.3663 ( 12400 PWs) bands (ev): -7.8893 -7.8893 -7.8870 -7.8870 -7.7519 -7.7519 -7.7493 -7.7493 -7.3286 -7.3286 -7.3281 -7.3281 0.4278 0.4278 0.4438 0.4438 0.6553 0.6553 0.6688 0.6688 0.9250 0.9250 0.9472 0.9472 1.3116 1.3116 1.3466 1.3466 2.0083 2.0083 2.0409 2.0409 2.2758 2.2758 2.3917 2.3917 2.6556 2.6556 2.8380 2.8380 2.9674 2.9674 3.0705 3.0705 3.4618 3.4618 3.5124 3.5124 6.7992 6.7992 6.8888 6.8888 7.2317 7.2317 7.2784 7.2784 7.5292 7.5292 k = 0.2395 0.7780 0.3663 ( 12432 PWs) bands (ev): -7.8965 -7.8965 -7.8945 -7.8945 -7.7461 -7.7461 -7.7433 -7.7433 -7.3284 -7.3284 -7.3283 -7.3283 0.4345 0.4345 0.4582 0.4582 0.6422 0.6422 0.6627 0.6627 0.9400 0.9400 0.9501 0.9501 1.3092 1.3092 1.3447 1.3447 1.9785 1.9785 2.0175 2.0175 2.2817 2.2817 2.4130 2.4130 2.6575 2.6575 2.8379 2.8379 2.9821 2.9821 3.0823 3.0823 3.4701 3.4701 3.5178 3.5178 6.8051 6.8051 6.8939 6.8939 7.2273 7.2273 7.2731 7.2731 7.5381 7.5381 k = 0.2326 0.7558 0.3663 ( 12438 PWs) bands (ev): -7.9049 -7.9049 -7.9032 -7.9032 -7.7407 -7.7407 -7.7376 -7.7376 -7.3283 -7.3283 -7.3279 -7.3279 0.4426 0.4426 0.4742 0.4742 0.6324 0.6324 0.6590 0.6590 0.9552 0.9552 0.9568 0.9568 1.3073 1.3073 1.3430 1.3430 1.9478 1.9478 1.9909 1.9909 2.2922 2.2922 2.4355 2.4355 2.6612 2.6612 2.8363 2.8363 2.9983 2.9983 3.0942 3.0942 3.4804 3.4804 3.5240 3.5240 6.8111 6.8111 6.8979 6.8979 7.2224 7.2224 7.2660 7.2660 7.5463 7.5463 k = 0.2258 0.7336 0.3663 ( 12454 PWs) bands (ev): -7.9145 -7.9145 -7.9131 -7.9131 -7.7357 -7.7357 -7.7324 -7.7324 -7.3281 -7.3281 -7.3273 -7.3273 0.4514 0.4514 0.4913 0.4913 0.6263 0.6263 0.6581 0.6581 0.9621 0.9621 0.9753 0.9753 1.3059 1.3059 1.3416 1.3416 1.9173 1.9173 1.9630 1.9630 2.3054 2.3054 2.4576 2.4576 2.6672 2.6672 2.8340 2.8340 3.0149 3.0149 3.1060 3.1060 3.4929 3.4929 3.5310 3.5310 6.8166 6.8166 6.9003 6.9003 7.2175 7.2175 7.2579 7.2579 7.5529 7.5529 k = 0.2189 0.7113 0.3663 ( 12446 PWs) bands (ev): -7.9252 -7.9252 -7.9241 -7.9241 -7.7311 -7.7311 -7.7276 -7.7276 -7.3278 -7.3278 -7.3265 -7.3265 0.4604 0.4604 0.5087 0.5087 0.6243 0.6243 0.6605 0.6605 0.9707 0.9707 0.9949 0.9949 1.3051 1.3051 1.3407 1.3407 1.8881 1.8881 1.9355 1.9355 2.3201 2.3201 2.4780 2.4780 2.6763 2.6763 2.8314 2.8314 3.0311 3.0311 3.1177 3.1177 3.5077 3.5077 3.5391 3.5391 6.8213 6.8213 6.9007 6.9007 7.2134 7.2134 7.2492 7.2492 7.5572 7.5572 k = 0.2121 0.6891 0.3663 ( 12450 PWs) bands (ev): -7.9369 -7.9369 -7.9360 -7.9360 -7.7270 -7.7270 -7.7233 -7.7233 -7.3273 -7.3273 -7.3257 -7.3257 0.4687 0.4687 0.5255 0.5255 0.6269 0.6269 0.6669 0.6669 0.9807 0.9807 1.0151 1.0151 1.3051 1.3051 1.3406 1.3406 1.8611 1.8611 1.9097 1.9097 2.3355 2.3355 2.4951 2.4951 2.6890 2.6890 2.8288 2.8288 3.0466 3.0466 3.1291 3.1291 3.5248 3.5248 3.5484 3.5484 6.8249 6.8249 6.8986 6.8986 7.2102 7.2102 7.2404 7.2404 7.5588 7.5590 k = 0.2053 0.6669 0.3663 ( 12426 PWs) bands (ev): -7.9495 -7.9495 -7.9488 -7.9488 -7.7233 -7.7233 -7.7194 -7.7194 -7.3268 -7.3268 -7.3248 -7.3248 0.4761 0.4761 0.5405 0.5405 0.6341 0.6341 0.6779 0.6779 0.9920 0.9920 1.0352 1.0352 1.3059 1.3059 1.3421 1.3421 1.8371 1.8371 1.8866 1.8866 2.3507 2.3507 2.5079 2.5079 2.7061 2.7061 2.8263 2.8263 3.0613 3.0613 3.1402 3.1402 3.5441 3.5441 3.5589 3.5589 6.8268 6.8268 6.8938 6.8938 7.2077 7.2077 7.2316 7.2316 7.5569 7.5570 k = 0.1984 0.6446 0.3663 ( 12426 PWs) bands (ev): -7.9628 -7.9628 -7.9624 -7.9624 -7.7201 -7.7201 -7.7160 -7.7160 -7.3262 -7.3262 -7.3238 -7.3238 0.4824 0.4824 0.5530 0.5530 0.6458 0.6458 0.6938 0.6938 1.0042 1.0042 1.0538 1.0538 1.3076 1.3076 1.3463 1.3463 1.8167 1.8167 1.8674 1.8674 2.3652 2.3652 2.5160 2.5160 2.7274 2.7274 2.8242 2.8242 3.0752 3.0752 3.1511 3.1511 3.5654 3.5654 3.5706 3.5706 6.8268 6.8268 6.8864 6.8864 7.2049 7.2049 7.2223 7.2223 7.5515 7.5546 k = 0.1916 0.6224 0.3663 ( 12418 PWs) bands (ev): -7.9769 -7.9769 -7.9766 -7.9766 -7.7174 -7.7174 -7.7131 -7.7131 -7.3256 -7.3256 -7.3228 -7.3228 0.4879 0.4879 0.5628 0.5628 0.6610 0.6610 0.7139 0.7139 1.0171 1.0171 1.0698 1.0698 1.3105 1.3105 1.3545 1.3545 1.8004 1.8004 1.8528 1.8528 2.3785 2.3785 2.5196 2.5196 2.7521 2.7521 2.8224 2.8224 3.0884 3.0884 3.1619 3.1619 3.5835 3.5835 3.5886 3.5886 6.8246 6.8246 6.8765 6.8765 7.2001 7.2001 7.2117 7.2117 7.5409 7.5427 k = 0.1847 0.6002 0.3663 ( 12418 PWs) bands (ev): -7.9915 -7.9915 -7.9914 -7.9914 -7.7151 -7.7151 -7.7106 -7.7106 -7.3249 -7.3249 -7.3219 -7.3219 0.4929 0.4929 0.5702 0.5702 0.6785 0.6785 0.7370 0.7370 1.0305 1.0305 1.0820 1.0820 1.3150 1.3150 1.3682 1.3682 1.7886 1.7886 1.8436 1.8436 2.3903 2.3903 2.5194 2.5194 2.7793 2.7793 2.8213 2.8213 3.1010 3.1010 3.1726 3.1726 3.5976 3.5976 3.6132 3.6132 6.8200 6.8200 6.8645 6.8645 7.1908 7.1908 7.1985 7.1985 7.5283 7.5303 k = 0.1779 0.5780 0.3663 ( 12416 PWs) bands (ev): -8.0066 -8.0066 -8.0066 -8.0066 -7.7133 -7.7133 -7.7086 -7.7086 -7.3243 -7.3243 -7.3210 -7.3210 0.4978 0.4978 0.5757 0.5757 0.6970 0.6970 0.7613 0.7613 1.0447 1.0447 1.0904 1.0904 1.3217 1.3217 1.3884 1.3884 1.7814 1.7814 1.8402 1.8402 2.4002 2.4002 2.5162 2.5162 2.8077 2.8077 2.8209 2.8209 3.1133 3.1133 3.1835 3.1835 3.6127 3.6127 3.6390 3.6390 6.8129 6.8129 6.8506 6.8506 7.1738 7.1738 7.1808 7.1808 7.5019 7.5038 k = 0.1711 0.5557 0.3663 ( 12404 PWs) bands (ev): -8.0222 -8.0222 -8.0221 -8.0221 -7.7118 -7.7118 -7.7070 -7.7070 -7.3237 -7.3237 -7.3202 -7.3202 0.5030 0.5030 0.5795 0.5795 0.7148 0.7148 0.7849 0.7849 1.0601 1.0601 1.0959 1.0959 1.3311 1.3311 1.4151 1.4151 1.7789 1.7789 1.8430 1.8430 2.4080 2.4080 2.5105 2.5105 2.8214 2.8214 2.8364 2.8364 3.1255 3.1255 3.1950 3.1950 3.6287 3.6287 3.6654 3.6654 6.8031 6.8031 6.8351 6.8351 7.1465 7.1465 7.1568 7.1568 7.4729 7.4742 k = 0.1642 0.5335 0.3663 ( 12400 PWs) bands (ev): -8.0381 -8.0381 -8.0378 -8.0378 -7.7108 -7.7108 -7.7059 -7.7059 -7.3232 -7.3232 -7.3195 -7.3195 0.5087 0.5087 0.5819 0.5819 0.7298 0.7298 0.8059 0.8059 1.0777 1.0777 1.1008 1.1008 1.3439 1.3439 1.4475 1.4475 1.7809 1.7809 1.8517 1.8517 2.4135 2.4135 2.5030 2.5030 2.8229 2.8229 2.8644 2.8644 3.1379 3.1379 3.2075 3.2075 3.6455 3.6455 3.6923 3.6923 6.7906 6.7906 6.8183 6.8183 7.1079 7.1079 7.1249 7.1249 7.4411 7.4414 k = 0.1574 0.5113 0.3663 ( 12396 PWs) bands (ev): -8.0541 -8.0541 -8.0538 -8.0538 -7.7101 -7.7101 -7.7051 -7.7051 -7.3228 -7.3228 -7.3189 -7.3189 0.5149 0.5149 0.5829 0.5829 0.7402 0.7402 0.8223 0.8223 1.0987 1.0987 1.1079 1.1079 1.3606 1.3606 1.4845 1.4845 1.7874 1.7874 1.8662 1.8662 2.4167 2.4167 2.4941 2.4941 2.8254 2.8254 2.8908 2.8908 3.1508 3.1508 3.2213 3.2213 3.6627 3.6627 3.7191 3.7191 6.7750 6.7750 6.8002 6.8002 7.0596 7.0596 7.0852 7.0852 7.4109 7.4109 k = 0.1505 0.4890 0.3663 ( 12388 PWs) bands (ev): -8.0702 -8.0702 -8.0698 -8.0698 -7.7097 -7.7097 -7.7046 -7.7046 -7.3224 -7.3224 -7.3185 -7.3185 0.5218 0.5218 0.5822 0.5822 0.7443 0.7443 0.8332 0.8332 1.1199 1.1199 1.1240 1.1240 1.3816 1.3816 1.5247 1.5247 1.7983 1.7983 1.8859 1.8859 2.4177 2.4177 2.4843 2.4843 2.8289 2.8289 2.9148 2.9148 3.1642 3.1642 3.2370 3.2370 3.6803 3.6803 3.7455 3.7455 6.7561 6.7561 6.7805 6.7805 7.0048 7.0048 7.0395 7.0395 7.3841 7.3841 k = 0.1437 0.4668 0.3663 ( 12392 PWs) bands (ev): -8.0863 -8.0863 -8.0858 -8.0858 -7.7096 -7.7096 -7.7045 -7.7045 -7.3222 -7.3222 -7.3181 -7.3181 0.5292 0.5292 0.5798 0.5798 0.7412 0.7412 0.8383 0.8383 1.1383 1.1383 1.1540 1.1540 1.4068 1.4068 1.5666 1.5666 1.8136 1.8136 1.9101 1.9101 2.4167 2.4167 2.4739 2.4739 2.8332 2.8332 2.9358 2.9358 3.1785 3.1785 3.2549 3.2549 3.6978 3.6978 3.7711 3.7711 6.7335 6.7335 6.7588 6.7588 6.9470 6.9470 6.9905 6.9905 7.3603 7.3603 k = 0.1368 0.4446 0.3663 ( 12396 PWs) bands (ev): -8.1023 -8.1023 -8.1017 -8.1017 -7.7098 -7.7098 -7.7047 -7.7047 -7.3220 -7.3220 -7.3179 -7.3179 0.5370 0.5370 0.5754 0.5754 0.7315 0.7315 0.8385 0.8385 1.1636 1.1636 1.1881 1.1881 1.4364 1.4364 1.6088 1.6088 1.8335 1.8335 1.9380 1.9380 2.4140 2.4140 2.4633 2.4633 2.8382 2.8382 2.9534 2.9534 3.1938 3.1938 3.2752 3.2752 3.7152 3.7152 3.7957 3.7957 6.7064 6.7064 6.7341 6.7341 6.8895 6.8895 6.9411 6.9411 7.3386 7.3386 k = 0.1300 0.4224 0.3663 ( 12394 PWs) bands (ev): -8.1180 -8.1180 -8.1174 -8.1174 -7.7102 -7.7102 -7.7051 -7.7051 -7.3220 -7.3220 -7.3178 -7.3178 0.5450 0.5450 0.5689 0.5689 0.7162 0.7162 0.8352 0.8352 1.1950 1.1950 1.2254 1.2254 1.4700 1.4700 1.6501 1.6501 1.8582 1.8582 1.9686 1.9686 2.4102 2.4102 2.4529 2.4529 2.8436 2.8436 2.9674 2.9674 3.2102 3.2102 3.2979 3.2979 3.7321 3.7321 3.8188 3.8188 6.6745 6.6745 6.7046 6.7046 6.8357 6.8357 6.8937 6.8937 7.3186 7.3186 k = 0.1232 0.4001 0.3663 ( 12390 PWs) bands (ev): -8.1335 -8.1335 -8.1329 -8.1329 -7.7108 -7.7108 -7.7058 -7.7058 -7.3220 -7.3220 -7.3179 -7.3179 0.5528 0.5528 0.5600 0.5600 0.6973 0.6973 0.8297 0.8297 1.2315 1.2315 1.2649 1.2649 1.5076 1.5076 1.6892 1.6892 1.8879 1.8879 2.0010 2.0010 2.4057 2.4057 2.4431 2.4431 2.8493 2.8493 2.9781 2.9781 3.2280 3.2280 3.3228 3.3228 3.7482 3.7482 3.8404 3.8404 6.6376 6.6376 6.6684 6.6684 6.7887 6.7887 6.8498 6.8498 7.2998 7.2998 k = 0.1163 0.3779 0.3663 ( 12406 PWs) bands (ev): -8.1485 -8.1485 -8.1479 -8.1479 -7.7116 -7.7116 -7.7067 -7.7067 -7.3221 -7.3221 -7.3180 -7.3180 0.5489 0.5489 0.5597 0.5597 0.6765 0.6765 0.8232 0.8232 1.2718 1.2718 1.3055 1.3055 1.5488 1.5488 1.7252 1.7252 1.9222 1.9222 2.0341 2.0341 2.4013 2.4013 2.4343 2.4343 2.8550 2.8550 2.9857 2.9857 3.2471 3.2471 3.3493 3.3493 3.7634 3.7634 3.8600 3.8600 6.5965 6.5965 6.6246 6.6246 6.7499 6.7499 6.8096 6.8096 7.2822 7.2822 k = 0.1095 0.3557 0.3663 ( 12406 PWs) bands (ev): -8.1632 -8.1632 -8.1626 -8.1626 -7.7126 -7.7126 -7.7078 -7.7078 -7.3223 -7.3223 -7.3183 -7.3183 0.5357 0.5357 0.5642 0.5642 0.6566 0.6566 0.8164 0.8164 1.3150 1.3150 1.3466 1.3466 1.5932 1.5932 1.7581 1.7581 1.9604 1.9604 2.0667 2.0667 2.3976 2.3976 2.4269 2.4269 2.8606 2.8606 2.9907 2.9907 3.2677 3.2677 3.3769 3.3769 3.7776 3.7776 3.8775 3.8775 6.5521 6.5521 6.5753 6.5753 6.7179 6.7179 6.7728 6.7728 7.2661 7.2661 k = 0.1026 0.3334 0.3663 ( 12392 PWs) bands (ev): -8.1773 -8.1773 -8.1767 -8.1767 -7.7136 -7.7136 -7.7090 -7.7090 -7.3226 -7.3226 -7.3187 -7.3187 0.5207 0.5207 0.5634 0.5634 0.6411 0.6411 0.8100 0.8100 1.3600 1.3600 1.3877 1.3877 1.6402 1.6402 1.7879 1.7879 2.0011 2.0011 2.0978 2.0978 2.3955 2.3955 2.4214 2.4214 2.8658 2.8658 2.9936 2.9936 3.2897 3.2897 3.4050 3.4050 3.7904 3.7904 3.8926 3.8926 6.5061 6.5061 6.5237 6.5237 6.6898 6.6898 6.7383 6.7383 7.2517 7.2517 k = 0.0958 0.3112 0.3663 ( 12384 PWs) bands (ev): -8.1908 -8.1908 -8.1903 -8.1903 -7.7148 -7.7148 -7.7103 -7.7103 -7.3229 -7.3229 -7.3191 -7.3191 0.5043 0.5043 0.5539 0.5539 0.6341 0.6341 0.8040 0.8040 1.4061 1.4061 1.4284 1.4284 1.6891 1.6891 1.8152 1.8152 2.0428 2.0428 2.1260 2.1260 2.3959 2.3959 2.4183 2.4183 2.8708 2.8708 2.9948 2.9948 3.3132 3.3132 3.4331 3.4331 3.8019 3.8019 3.9053 3.9053 6.4596 6.4596 6.4719 6.4719 6.6638 6.6638 6.7055 6.7055 7.2392 7.2392 k = 0.0889 0.2890 0.3663 ( 12394 PWs) bands (ev): -8.2037 -8.2037 -8.2032 -8.2032 -7.7160 -7.7160 -7.7117 -7.7117 -7.3232 -7.3232 -7.3197 -7.3197 0.4869 0.4869 0.5365 0.5365 0.6352 0.6352 0.7985 0.7985 1.4525 1.4525 1.4684 1.4684 1.7390 1.7390 1.8402 1.8402 2.0840 2.0840 2.1506 2.1506 2.3995 2.3995 2.4179 2.4179 2.8753 2.8753 2.9948 2.9948 3.3380 3.3380 3.4605 3.4605 3.8120 3.8120 3.9155 3.9155 6.4137 6.4137 6.4213 6.4213 6.6387 6.6387 6.6738 6.6738 7.2287 7.2287 k = 0.0821 0.2667 0.3663 ( 12382 PWs) bands (ev): -8.2159 -8.2159 -8.2153 -8.2153 -7.7172 -7.7172 -7.7131 -7.7131 -7.3236 -7.3236 -7.3202 -7.3202 0.4691 0.4691 0.5153 0.5153 0.6408 0.6408 0.7934 0.7934 1.4986 1.4986 1.5075 1.5075 1.7888 1.7888 1.8632 1.8632 2.1234 2.1234 2.1712 2.1712 2.4066 2.4066 2.4206 2.4206 2.8794 2.8794 2.9939 2.9939 3.3640 3.3640 3.4869 3.4869 3.8207 3.8207 3.9231 3.9231 6.3691 6.3691 6.3727 6.3727 6.6142 6.6142 6.6429 6.6429 7.2204 7.2204 k = 0.0753 0.2445 0.3663 ( 12394 PWs) bands (ev): -8.2273 -8.2273 -8.2268 -8.2268 -7.7184 -7.7184 -7.7146 -7.7146 -7.3241 -7.3241 -7.3208 -7.3208 0.4513 0.4513 0.4928 0.4928 0.6485 0.6485 0.7887 0.7887 1.5438 1.5438 1.5457 1.5457 1.8371 1.8371 1.8843 1.8843 2.1601 2.1601 2.1882 2.1882 2.4169 2.4169 2.4266 2.4266 2.8831 2.8831 2.9924 2.9924 3.3910 3.3910 3.5117 3.5117 3.8282 3.8282 3.9281 3.9281 6.3263 6.3263 6.3265 6.3265 6.5901 6.5901 6.6128 6.6128 7.2143 7.2143 k = 0.0684 0.2223 0.3663 ( 12414 PWs) bands (ev): -8.2379 -8.2379 -8.2374 -8.2374 -7.7196 -7.7196 -7.7160 -7.7160 -7.3245 -7.3245 -7.3215 -7.3215 0.4340 0.4340 0.4706 0.4706 0.6570 0.6570 0.7843 0.7843 1.5826 1.5826 1.5874 1.5874 1.8823 1.8823 1.9032 1.9032 2.1938 2.1938 2.2032 2.2032 2.4296 2.4296 2.4354 2.4354 2.8864 2.8864 2.9905 2.9905 3.4188 3.4188 3.5348 3.5348 3.8346 3.8346 3.9306 3.9306 6.2831 6.2831 6.2858 6.2858 6.5665 6.5665 6.5837 6.5837 7.2102 7.2102 k = 0.0616 0.2001 0.3663 ( 12394 PWs) bands (ev): -8.2476 -8.2476 -8.2472 -8.2472 -7.7207 -7.7207 -7.7174 -7.7174 -7.3249 -7.3249 -7.3221 -7.3221 0.4174 0.4174 0.4493 0.4493 0.6658 0.6658 0.7800 0.7800 1.6180 1.6180 1.6289 1.6289 1.9200 1.9200 1.9226 1.9226 2.2181 2.2181 2.2244 2.2244 2.4434 2.4434 2.4466 2.4466 2.8893 2.8893 2.9883 2.9883 3.4470 3.4470 3.5556 3.5556 3.8400 3.8400 3.9308 3.9308 6.2429 6.2429 6.2479 6.2479 6.5434 6.5434 6.5558 6.5558 7.2081 7.2081 k = 0.0547 0.1778 0.3663 ( 12400 PWs) bands (ev): -8.2564 -8.2564 -8.2560 -8.2560 -7.7217 -7.7217 -7.7188 -7.7188 -7.3253 -7.3253 -7.3228 -7.3228 0.4020 0.4020 0.4294 0.4294 0.6747 0.6747 0.7757 0.7757 1.6517 1.6517 1.6677 1.6677 1.9346 1.9346 1.9563 1.9563 2.2350 2.2350 2.2523 2.2523 2.4572 2.4572 2.4589 2.4589 2.8920 2.8920 2.9856 2.9856 3.4752 3.4752 3.5742 3.5742 3.8448 3.8448 3.9288 3.9288 6.2061 6.2061 6.2127 6.2127 6.5213 6.5213 6.5294 6.5294 7.2075 7.2076 k = 0.0479 0.1556 0.3663 ( 12408 PWs) bands (ev): -8.2643 -8.2643 -8.2639 -8.2639 -7.7227 -7.7227 -7.7201 -7.7201 -7.3256 -7.3256 -7.3234 -7.3234 0.3879 0.3879 0.4112 0.4112 0.6834 0.6834 0.7713 0.7713 1.6834 1.6834 1.7032 1.7032 1.9469 1.9469 1.9819 1.9819 2.2551 2.2551 2.2780 2.2780 2.4701 2.4701 2.4713 2.4713 2.8945 2.8945 2.9824 2.9824 3.5028 3.5028 3.5903 3.5903 3.8492 3.8492 3.9251 3.9251 6.1729 6.1729 6.1806 6.1806 6.5004 6.5004 6.5050 6.5050 7.2084 7.2084 k = 0.0411 0.1334 0.3663 ( 12428 PWs) bands (ev): -8.2711 -8.2711 -8.2708 -8.2708 -7.7235 -7.7235 -7.7212 -7.7212 -7.3259 -7.3259 -7.3240 -7.3240 0.3755 0.3755 0.3949 0.3949 0.6918 0.6918 0.7669 0.7669 1.7127 1.7127 1.7349 1.7349 1.9574 1.9574 1.9993 1.9993 2.2782 2.2782 2.3017 2.3017 2.4816 2.4816 2.4829 2.4829 2.8972 2.8972 2.9784 2.9784 3.5293 3.5293 3.6039 3.6039 3.8534 3.8534 3.9198 3.9198 6.1436 6.1436 6.1518 6.1518 6.4810 6.4810 6.4831 6.4831 7.2102 7.2102 k = 0.0342 0.1111 0.3663 ( 12428 PWs) bands (ev): -8.2770 -8.2770 -8.2767 -8.2767 -7.7242 -7.7242 -7.7223 -7.7223 -7.3262 -7.3262 -7.3246 -7.3246 0.3649 0.3649 0.3807 0.3807 0.7000 0.7000 0.7622 0.7622 1.7392 1.7392 1.7622 1.7622 1.9662 1.9662 2.0095 2.0095 2.3029 2.3029 2.3234 2.3234 2.4914 2.4914 2.4929 2.4929 2.9002 2.9002 2.9733 2.9733 3.5538 3.5538 3.6149 3.6149 3.8574 3.8574 3.9135 3.9135 6.1185 6.1185 6.1265 6.1265 6.4637 6.4637 6.4638 6.4638 7.2126 7.2128 k = 0.0274 0.0889 0.3663 ( 12444 PWs) bands (ev): -8.2818 -8.2818 -8.2816 -8.2816 -7.7247 -7.7247 -7.7232 -7.7232 -7.3264 -7.3264 -7.3250 -7.3250 0.3563 0.3563 0.3687 0.3687 0.7077 0.7077 0.7574 0.7574 1.7627 1.7627 1.7845 1.7845 1.9740 1.9740 2.0140 2.0140 2.3269 2.3269 2.3427 2.3427 2.4995 2.4995 2.5010 2.5010 2.9040 2.9040 2.9669 2.9669 3.5759 3.5759 3.6235 3.6235 3.8615 3.8615 3.9066 3.9066 6.0979 6.0979 6.1051 6.1051 6.4478 6.4478 6.4487 6.4487 7.2154 7.2158 k = 0.0205 0.0667 0.3663 ( 12434 PWs) bands (ev): -8.2856 -8.2856 -8.2854 -8.2854 -7.7251 -7.7251 -7.7240 -7.7240 -7.3265 -7.3265 -7.3255 -7.3255 0.3498 0.3498 0.3590 0.3590 0.7152 0.7152 0.7523 0.7523 1.7825 1.7825 1.8013 1.8013 1.9811 1.9811 2.0143 2.0143 2.3479 2.3479 2.3588 2.3588 2.5058 2.5058 2.5071 2.5071 2.9089 2.9089 2.9592 2.9592 3.5948 3.5948 3.6294 3.6294 3.8656 3.8656 3.8994 3.8994 6.0818 6.0818 6.0878 6.0878 6.4351 6.4351 6.4364 6.4364 7.2180 7.2183 k = 0.0137 0.0445 0.3663 ( 12430 PWs) bands (ev): -8.2883 -8.2883 -8.2882 -8.2882 -7.7254 -7.7254 -7.7246 -7.7246 -7.3265 -7.3265 -7.3258 -7.3258 0.3455 0.3455 0.3515 0.3515 0.7222 0.7222 0.7469 0.7469 1.7984 1.7984 1.8122 1.8122 1.9880 1.9880 2.0117 2.0117 2.3644 2.3644 2.3709 2.3709 2.5105 2.5105 2.5114 2.5114 2.9152 2.9152 2.9505 2.9505 3.6101 3.6101 3.6324 3.6324 3.8700 3.8700 3.8925 3.8925 6.0706 6.0706 6.0748 6.0748 6.4260 6.4260 6.4273 6.4273 7.2205 7.2233 k = 0.0068 0.0222 0.3663 ( 12410 PWs) bands (ev): -8.2899 -8.2899 -8.2899 -8.2899 -7.7254 -7.7254 -7.7250 -7.7250 -7.3265 -7.3265 -7.3261 -7.3261 0.3435 0.3435 0.3465 0.3465 0.7289 0.7289 0.7412 0.7412 1.8098 1.8098 1.8171 1.8171 1.9947 1.9947 2.0071 2.0071 2.3751 2.3751 2.3780 2.3780 2.5133 2.5133 2.5138 2.5138 2.9228 2.9228 2.9411 2.9411 3.6214 3.6214 3.6324 3.6324 3.8748 3.8748 3.8859 3.8859 6.0643 6.0643 6.0665 6.0665 6.4207 6.4207 6.4215 6.4215 7.2223 7.2233 k = 0.0000 0.0000 0.3663 ( 12418 PWs) bands (ev): -8.2904 -8.2904 -8.2904 -8.2904 -7.7253 -7.7253 -7.7253 -7.7253 -7.3263 -7.3263 -7.3263 -7.3263 0.3438 0.3438 0.3438 0.3438 0.7352 0.7352 0.7352 0.7352 1.8162 1.8162 1.8162 1.8162 2.0012 2.0012 2.0012 2.0012 2.3796 2.3796 2.3796 2.3796 2.5145 2.5145 2.5145 2.5145 2.9316 2.9316 2.9316 2.9316 3.6288 3.6288 3.6288 3.6288 3.8801 3.8801 3.8801 3.8801 6.0629 6.0629 6.0629 6.0629 6.4192 6.4192 6.4192 6.4192 7.2232 7.2232 k = 0.0000 0.0000 0.3663 ( 12418 PWs) bands (ev): -8.2904 -8.2904 -8.2904 -8.2904 -7.7253 -7.7253 -7.7253 -7.7253 -7.3263 -7.3263 -7.3263 -7.3263 0.3438 0.3438 0.3438 0.3438 0.7352 0.7352 0.7352 0.7352 1.8162 1.8162 1.8162 1.8162 2.0012 2.0012 2.0012 2.0012 2.3796 2.3796 2.3796 2.3796 2.5145 2.5145 2.5145 2.5145 2.9316 2.9316 2.9316 2.9316 3.6288 3.6288 3.6288 3.6288 3.8801 3.8801 3.8801 3.8801 6.0629 6.0629 6.0629 6.0629 6.4192 6.4192 6.4192 6.4192 7.2232 7.2232 k = 0.0000 0.0000 0.3434 ( 12422 PWs) bands (ev): -8.3091 -8.3091 -8.2712 -8.2712 -7.7308 -7.7308 -7.7198 -7.7198 -7.3354 -7.3354 -7.3179 -7.3179 0.3381 0.3381 0.3517 0.3517 0.7056 0.7056 0.7677 0.7677 1.7727 1.7727 1.8551 1.8551 1.9823 1.9823 2.0172 2.0172 2.3569 2.3569 2.4009 2.4009 2.4970 2.4970 2.5296 2.5296 2.9135 2.9135 2.9539 2.9539 3.5953 3.5953 3.6675 3.6675 3.8569 3.8569 3.9028 3.9028 6.0503 6.0503 6.0724 6.0724 6.4054 6.4054 6.4352 6.4352 7.1804 7.1804 k = 0.0000 0.0000 0.3205 ( 12412 PWs) bands (ev): -8.3271 -8.3271 -8.2515 -8.2515 -7.7362 -7.7362 -7.7143 -7.7143 -7.3451 -7.3451 -7.3102 -7.3102 0.3347 0.3347 0.3615 0.3615 0.6794 0.6794 0.8022 0.8022 1.7259 1.7259 1.8860 1.8860 1.9625 1.9625 2.0307 2.0307 2.3350 2.3350 2.4178 2.4178 2.4764 2.4764 2.5448 2.5448 2.9016 2.9016 2.9777 2.9777 3.5682 3.5682 3.7103 3.7103 3.8334 3.8334 3.9251 3.9251 6.0349 6.0349 6.0786 6.0786 6.3934 6.3934 6.4533 6.4533 7.1385 7.1385 k = 0.0000 0.0000 0.2976 ( 12417 PWs) bands (ev): -8.3442 -8.3442 -8.2315 -8.2315 -7.7415 -7.7415 -7.7088 -7.7088 -7.3554 -7.3554 -7.3032 -7.3032 0.3335 0.3335 0.3729 0.3729 0.6577 0.6577 0.8382 0.8382 1.6763 1.6763 1.8970 1.8970 1.9514 1.9514 2.0438 2.0438 2.3146 2.3146 2.4260 2.4260 2.4541 2.4541 2.5634 2.5634 2.8963 2.8963 2.9999 2.9999 3.5484 3.5484 3.7552 3.7552 3.8107 3.8107 3.9469 3.9469 6.0172 6.0172 6.0817 6.0817 6.3827 6.3827 6.4734 6.4734 7.0979 7.0979 k = 0.0000 0.0000 0.2747 ( 12417 PWs) bands (ev): -8.3605 -8.3605 -8.2114 -8.2114 -7.7465 -7.7465 -7.7034 -7.7034 -7.3661 -7.3661 -7.2970 -7.2970 0.3338 0.3338 0.3854 0.3854 0.6416 0.6416 0.8753 0.8753 1.6243 1.6243 1.8783 1.8783 1.9560 1.9560 2.0603 2.0603 2.2961 2.2961 2.4142 2.4142 2.4423 2.4423 2.5868 2.5868 2.8971 2.8971 3.0183 3.0183 3.5367 3.5367 3.7781 3.7781 3.8116 3.8116 3.9688 3.9688 5.9978 5.9978 6.0822 6.0822 6.3728 6.3728 6.4950 6.4950 7.0590 7.0590 k = 0.0000 0.0000 0.2518 ( 12415 PWs) bands (ev): -8.3757 -8.3757 -8.1913 -8.1913 -7.7514 -7.7514 -7.6981 -7.6981 -7.3772 -7.3772 -7.2914 -7.2914 0.3348 0.3348 0.3987 0.3987 0.6322 0.6322 0.9128 0.9128 1.5704 1.5704 1.8463 1.8463 1.9584 1.9584 2.0824 2.0824 2.2791 2.2791 2.3859 2.3859 2.4408 2.4408 2.6140 2.6140 2.9021 2.9021 3.0310 3.0310 3.5334 3.5334 3.7573 3.7573 3.8564 3.8564 3.9914 3.9914 5.9773 5.9773 6.0804 6.0804 6.3629 6.3629 6.5178 6.5178 7.0221 7.0221 k = 0.0000 0.0000 0.2289 ( 12405 PWs) bands (ev): -8.3899 -8.3899 -8.1715 -8.1715 -7.7561 -7.7561 -7.6931 -7.6931 -7.3885 -7.3885 -7.2865 -7.2865 0.3354 0.3354 0.4129 0.4129 0.6304 0.6304 0.9503 0.9503 1.5152 1.5152 1.8092 1.8092 1.9528 1.9528 2.1091 2.1091 2.2632 2.2632 2.3546 2.3546 2.4403 2.4403 2.6432 2.6432 2.9095 2.9095 3.0376 3.0376 3.5380 3.5380 3.7336 3.7336 3.9017 3.9017 4.0162 4.0162 5.9564 5.9564 6.0771 6.0771 6.3525 6.3525 6.5413 6.5413 6.9875 6.9875 k = 0.0000 0.0000 0.2060 ( 12415 PWs) bands (ev): -8.4029 -8.4029 -8.1522 -8.1522 -7.7605 -7.7605 -7.6883 -7.6883 -7.3998 -7.3998 -7.2822 -7.2822 0.3345 0.3345 0.4285 0.4285 0.6363 0.6363 0.9870 0.9870 1.4596 1.4596 1.7692 1.7692 1.9410 1.9410 2.1376 2.1376 2.2482 2.2482 2.3235 2.3235 2.4410 2.4410 2.6728 2.6728 2.9177 2.9177 3.0387 3.0387 3.5492 3.5492 3.7099 3.7099 3.9414 3.9414 4.0459 4.0459 5.9356 5.9356 6.0726 6.0726 6.3415 6.3415 6.5649 6.5649 6.9554 6.9554 k = 0.0000 0.0000 0.1831 ( 12433 PWs) bands (ev): -8.4148 -8.4148 -8.1336 -8.1336 -7.7646 -7.7646 -7.6838 -7.6838 -7.4111 -7.4111 -7.2786 -7.2786 0.3314 0.3314 0.4465 0.4465 0.6488 0.6488 1.0225 1.0225 1.4044 1.4044 1.7275 1.7275 1.9249 1.9249 2.1652 2.1652 2.2349 2.2349 2.2942 2.2942 2.4429 2.4429 2.7016 2.7016 2.9255 2.9255 3.0357 3.0357 3.5650 3.5650 3.6868 3.6868 3.9722 3.9722 4.0819 4.0819 5.9155 5.9155 6.0675 6.0675 6.3299 6.3299 6.5881 6.5881 6.9262 6.9262 k = 0.0000 0.0000 0.1602 ( 12451 PWs) bands (ev): -8.4253 -8.4253 -8.1160 -8.1160 -7.7684 -7.7684 -7.6797 -7.6797 -7.4219 -7.4219 -7.2755 -7.2755 0.3263 0.3263 0.4672 0.4672 0.6664 0.6664 1.0557 1.0557 1.3508 1.3508 1.6851 1.6851 1.9064 1.9064 2.1874 2.1874 2.2266 2.2266 2.2680 2.2680 2.4461 2.4461 2.7282 2.7282 2.9320 2.9320 3.0305 3.0305 3.5834 3.5834 3.6649 3.6649 3.9946 3.9946 4.1226 4.1226 5.8965 5.8965 6.0622 6.0622 6.3179 6.3179 6.6104 6.6104 6.9000 6.9000 k = 0.0000 0.0000 0.1373 ( 12461 PWs) bands (ev): -8.4346 -8.4346 -8.0998 -8.0998 -7.7719 -7.7719 -7.6761 -7.6761 -7.4321 -7.4321 -7.2729 -7.2729 0.3200 0.3200 0.4907 0.4907 0.6868 0.6868 1.0857 1.0857 1.3005 1.3005 1.6433 1.6433 1.8866 1.8866 2.1926 2.1926 2.2315 2.2315 2.2486 2.2486 2.4501 2.4501 2.7517 2.7517 2.9372 2.9372 3.0245 3.0245 3.6023 3.6023 3.6448 3.6448 4.0109 4.0109 4.1643 4.1643 5.8792 5.8792 6.0570 6.0570 6.3059 6.3059 6.6312 6.6312 6.8772 6.8772 k = 0.0000 0.0000 0.1145 ( 12447 PWs) bands (ev): -8.4425 -8.4425 -8.0852 -8.0852 -7.7749 -7.7749 -7.6729 -7.6729 -7.4414 -7.4414 -7.2709 -7.2709 0.3133 0.3133 0.5164 0.5164 0.7076 0.7076 1.1112 1.1112 1.2553 1.2553 1.6035 1.6035 1.8669 1.8669 2.1856 2.1856 2.2217 2.2217 2.2588 2.2588 2.4546 2.4546 2.7709 2.7709 2.9415 2.9415 3.0189 3.0189 3.6167 3.6167 3.6303 3.6303 4.0232 4.0232 4.2038 4.2038 5.8639 5.8639 6.0522 6.0522 6.2946 6.2946 6.6499 6.6499 6.8578 6.8578 k = 0.0000 0.0000 0.0916 ( 12441 PWs) bands (ev): -8.4490 -8.4490 -8.0726 -8.0726 -7.7775 -7.7775 -7.6702 -7.6702 -7.4496 -7.4496 -7.2692 -7.2692 0.3069 0.3069 0.5433 0.5433 0.7261 0.7261 1.1301 1.1301 1.2181 1.2181 1.5675 1.5675 1.8484 1.8484 2.1771 2.1771 2.2065 2.2065 2.2780 2.2780 2.4591 2.4591 2.7849 2.7849 2.9462 2.9462 3.0139 3.0139 3.6073 3.6073 3.6400 3.6400 4.0324 4.0324 4.2389 4.2389 5.8508 5.8508 6.0480 6.0480 6.2844 6.2844 6.6660 6.6660 6.8422 6.8422 k = 0.0000 0.0000 0.0687 ( 12451 PWs) bands (ev): -8.4541 -8.4541 -8.0624 -8.0624 -7.7796 -7.7796 -7.6680 -7.6680 -7.4563 -7.4563 -7.2680 -7.2680 0.3014 0.3014 0.5700 0.5700 0.7399 0.7399 1.1396 1.1396 1.1929 1.1929 1.5374 1.5374 1.8323 1.8323 2.1698 2.1698 2.1943 2.1943 2.2950 2.2950 2.4632 2.4632 2.7938 2.7938 2.9520 2.9520 3.0091 3.0091 3.5945 3.5945 3.6532 3.6532 4.0392 4.0392 4.2678 4.2678 5.8404 5.8404 6.0445 6.0445 6.2759 6.2759 6.6788 6.6788 6.8303 6.8303 k = 0.0000 0.0000 0.0458 ( 12445 PWs) bands (ev): -8.4577 -8.4577 -8.0548 -8.0548 -7.7812 -7.7812 -7.6665 -7.6665 -7.4612 -7.4612 -7.2671 -7.2671 0.2973 0.2973 0.5939 0.5939 0.7475 0.7475 1.1382 1.1382 1.1823 1.1823 1.5148 1.5148 1.8196 1.8196 2.1644 2.1644 2.1856 2.1856 2.3079 2.3079 2.4664 2.4664 2.7983 2.7983 2.9588 2.9588 3.0044 3.0044 3.5847 3.5847 3.6633 3.6633 4.0439 4.0439 4.2893 4.2893 5.8328 5.8328 6.0420 6.0420 6.2695 6.2695 6.6881 6.6881 6.8221 6.8221 k = 0.0000 0.0000 0.0229 ( 12433 PWs) bands (ev): -8.4599 -8.4599 -8.0501 -8.0501 -7.7822 -7.7822 -7.6655 -7.6655 -7.4643 -7.4643 -7.2666 -7.2666 0.2947 0.2947 0.6115 0.6115 0.7499 0.7499 1.1333 1.1333 1.1798 1.1798 1.5010 1.5010 1.8116 1.8116 2.1610 2.1610 2.1803 2.1803 2.3159 2.3159 2.4686 2.4686 2.8002 2.8002 2.9650 2.9650 3.0001 3.0001 3.5786 3.5786 3.6696 3.6696 4.0467 4.0467 4.3026 4.3026 5.8282 5.8282 6.0404 6.0404 6.2655 6.2655 6.6937 6.6937 6.8173 6.8173 k = 0.0000 0.0000 0.0000 ( 12419 PWs) bands (ev): -8.4606 -8.4606 -8.0485 -8.0485 -7.7825 -7.7825 -7.6652 -7.6652 -7.4654 -7.4654 -7.2665 -7.2665 0.2938 0.2938 0.6181 0.6181 0.7500 0.7500 1.1313 1.1313 1.1793 1.1793 1.4964 1.4964 1.8088 1.8088 2.1599 2.1599 2.1786 2.1786 2.3186 2.3186 2.4693 2.4693 2.8006 2.8006 2.9677 2.9677 2.9982 2.9982 3.5766 3.5766 3.6717 3.6717 4.0476 4.0476 4.3071 4.3071 5.8267 5.8267 6.0399 6.0399 6.2642 6.2642 6.6955 6.6955 6.8158 6.8158 k = 0.0000 0.0000 0.0000 ( 12419 PWs) bands (ev): -8.4606 -8.4606 -8.0485 -8.0485 -7.7825 -7.7825 -7.6652 -7.6652 -7.4654 -7.4654 -7.2665 -7.2665 0.2938 0.2938 0.6181 0.6181 0.7500 0.7500 1.1313 1.1313 1.1793 1.1793 1.4964 1.4964 1.8088 1.8088 2.1599 2.1599 2.1786 2.1786 2.3186 2.3186 2.4693 2.4693 2.8006 2.8006 2.9677 2.9677 2.9982 2.9982 3.5766 3.5766 3.6717 3.6717 4.0476 4.0476 4.3071 4.3071 5.8267 5.8267 6.0399 6.0399 6.2642 6.2642 6.6955 6.6955 6.8158 6.8158 k =-0.0217 0.0067 0.0000 ( 12436 PWs) bands (ev): -8.4601 -8.4601 -8.0482 -8.0482 -7.7834 -7.7834 -7.6656 -7.6656 -7.4652 -7.4652 -7.2665 -7.2665 0.2953 0.2953 0.6162 0.6162 0.7513 0.7513 1.1309 1.1309 1.1777 1.1777 1.4991 1.4991 1.8091 1.8091 2.1598 2.1598 2.1792 2.1792 2.3205 2.3205 2.4699 2.4699 2.8009 2.8009 2.9662 2.9662 2.9981 2.9981 3.5705 3.5705 3.6769 3.6769 4.0436 4.0436 4.3058 4.3058 5.8209 5.8209 6.0432 6.0432 6.2638 6.2638 6.6961 6.6961 6.8162 6.8162 k =-0.0435 0.0134 0.0000 ( 12424 PWs) bands (ev): -8.4583 -8.4583 -8.0472 -8.0472 -7.7859 -7.7859 -7.6668 -7.6668 -7.4646 -7.4646 -7.2666 -7.2666 0.2999 0.2999 0.6109 0.6109 0.7549 0.7549 1.1294 1.1294 1.1735 1.1735 1.5072 1.5072 1.8100 1.8100 2.1595 2.1595 2.1812 2.1812 2.3258 2.3258 2.4718 2.4718 2.8019 2.8019 2.9610 2.9610 2.9985 2.9985 3.5554 3.5554 3.6898 3.6898 4.0317 4.0317 4.3020 4.3020 5.8051 5.8051 6.0519 6.0519 6.2628 6.2628 6.6977 6.6977 6.8172 6.8172 k =-0.0652 0.0201 0.0000 ( 12430 PWs) bands (ev): -8.4554 -8.4554 -8.0456 -8.0456 -7.7901 -7.7901 -7.6688 -7.6688 -7.4636 -7.4636 -7.2668 -7.2668 0.3072 0.3072 0.6031 0.6031 0.7603 0.7603 1.1256 1.1256 1.1684 1.1684 1.5200 1.5200 1.8118 1.8118 2.1591 2.1591 2.1843 2.1843 2.3342 2.3342 2.4750 2.4750 2.8035 2.8035 2.9508 2.9508 3.0008 3.0008 3.5355 3.5355 3.7058 3.7058 4.0125 4.0125 4.2957 4.2957 5.7819 5.7819 6.0628 6.0628 6.2617 6.2617 6.7004 6.7004 6.8190 6.8190 k =-0.0870 0.0268 0.0000 ( 12436 PWs) bands (ev): -8.4513 -8.4513 -8.0433 -8.0433 -7.7960 -7.7960 -7.6716 -7.6716 -7.4622 -7.4622 -7.2671 -7.2671 0.3167 0.3167 0.5943 0.5943 0.7667 0.7667 1.1180 1.1180 1.1643 1.1643 1.5366 1.5366 1.8146 1.8146 2.1588 2.1588 2.1888 2.1888 2.3449 2.3449 2.4794 2.4794 2.8055 2.8055 2.9350 2.9350 3.0054 3.0054 3.5133 3.5133 3.7225 3.7225 3.9865 3.9865 4.2871 4.2871 5.7539 5.7539 6.0728 6.0728 6.2612 6.2612 6.7043 6.7043 6.8215 6.8215 k =-0.1087 0.0335 0.0000 ( 12432 PWs) bands (ev): -8.4461 -8.4461 -8.0404 -8.0404 -7.8035 -7.8035 -7.6751 -7.6751 -7.4604 -7.4604 -7.2675 -7.2675 0.3276 0.3276 0.5859 0.5859 0.7736 0.7736 1.1066 1.1066 1.1623 1.1623 1.5563 1.5563 1.8186 1.8186 2.1588 2.1588 2.1945 2.1945 2.3573 2.3573 2.4850 2.4850 2.8080 2.8080 2.9138 2.9138 3.0122 3.0122 3.4902 3.4902 3.7385 3.7385 3.9549 3.9549 4.2763 4.2763 5.7233 5.7233 6.0794 6.0794 6.2624 6.2624 6.7094 6.7094 6.8247 6.8247 k =-0.1304 0.0401 0.0000 ( 12432 PWs) bands (ev): -8.4397 -8.4397 -8.0369 -8.0369 -7.8125 -7.8125 -7.6793 -7.6793 -7.4582 -7.4582 -7.2681 -7.2681 0.3386 0.3386 0.5796 0.5796 0.7806 0.7806 1.0926 1.0926 1.1617 1.1617 1.5782 1.5782 1.8240 1.8240 2.1593 2.1593 2.2015 2.2015 2.3703 2.3703 2.4919 2.4919 2.8108 2.8108 2.8875 2.8875 3.0209 3.0209 3.4667 3.4667 3.7529 3.7529 3.9191 3.9191 4.2634 4.2634 5.6913 5.6913 6.0808 6.0808 6.2662 6.2662 6.7156 6.7156 6.8286 6.8286 k =-0.1522 0.0468 0.0000 ( 12442 PWs) bands (ev): -8.4323 -8.4323 -8.0328 -8.0328 -7.8229 -7.8229 -7.6842 -7.6842 -7.4556 -7.4556 -7.2688 -7.2688 0.3483 0.3483 0.5770 0.5770 0.7876 0.7876 1.0776 1.0776 1.1618 1.1618 1.6019 1.6019 1.8307 1.8307 2.1606 2.1606 2.2099 2.2099 2.3829 2.3829 2.4998 2.4998 2.8133 2.8133 2.8569 2.8569 3.0312 3.0312 3.4433 3.4433 3.7641 3.7641 3.8816 3.8816 4.2488 4.2488 5.6590 5.6590 6.0765 6.0765 6.2728 6.2728 6.7230 6.7230 6.8333 6.8333 k =-0.1739 0.0535 0.0000 ( 12450 PWs) bands (ev): -8.4239 -8.4239 -8.0282 -8.0282 -7.8346 -7.8346 -7.6897 -7.6897 -7.4527 -7.4527 -7.2698 -7.2698 0.3550 0.3550 0.5797 0.5797 0.7945 0.7945 1.0629 1.0629 1.1619 1.1619 1.6265 1.6265 1.8386 1.8386 2.1631 2.1631 2.2194 2.2194 2.3944 2.3944 2.5083 2.5083 2.8090 2.8090 2.8293 2.8293 3.0427 3.0427 3.4203 3.4203 3.7673 3.7673 3.8479 3.8479 4.2324 4.2324 5.6271 5.6271 6.0664 6.0664 6.2821 6.2821 6.7315 6.7315 6.8389 6.8389 k =-0.1957 0.0602 0.0000 ( 12452 PWs) bands (ev): -8.4145 -8.4145 -8.0230 -8.0230 -7.8475 -7.8475 -7.6958 -7.6958 -7.4493 -7.4493 -7.2709 -7.2709 0.3576 0.3576 0.5884 0.5884 0.8014 0.8014 1.0496 1.0496 1.1619 1.1619 1.6517 1.6517 1.8476 1.8476 2.1670 2.1670 2.2303 2.2303 2.4038 2.4038 2.5165 2.5165 2.7767 2.7767 2.8270 2.8270 3.0550 3.0550 3.3979 3.3979 3.7514 3.7514 3.8304 3.8304 4.2147 4.2147 5.5963 5.5963 6.0515 6.0515 6.2934 6.2934 6.7409 6.7409 6.8452 6.8452 k =-0.2174 0.0669 0.0000 ( 12440 PWs) bands (ev): -8.4042 -8.4042 -8.0174 -8.0174 -7.8615 -7.8615 -7.7025 -7.7025 -7.4457 -7.4457 -7.2723 -7.2723 0.3558 0.3558 0.6023 0.6023 0.8088 0.8088 1.0387 1.0387 1.1618 1.1618 1.6767 1.6767 1.8573 1.8573 2.1725 2.1725 2.2423 2.2423 2.4107 2.4107 2.5223 2.5223 2.7369 2.7369 2.8317 2.8317 3.0674 3.0674 3.3764 3.3764 3.7163 3.7163 3.8303 3.8303 4.1958 4.1958 5.5672 5.5672 6.0327 6.0327 6.3061 6.3061 6.7510 6.7510 6.8524 6.8524 k =-0.2391 0.0736 0.0000 ( 12432 PWs) bands (ev): -8.3930 -8.3930 -8.0114 -8.0114 -7.8765 -7.8765 -7.7095 -7.7095 -7.4418 -7.4418 -7.2739 -7.2739 0.3506 0.3506 0.6191 0.6191 0.8176 0.8176 1.0309 1.0309 1.1617 1.1617 1.7010 1.7010 1.8675 1.8675 2.1799 2.1799 2.2555 2.2555 2.4146 2.4146 2.5220 2.5220 2.6992 2.6992 2.8382 2.8382 3.0794 3.0794 3.3557 3.3557 3.6743 3.6743 3.8364 3.8364 4.1759 4.1759 5.5401 5.5401 6.0108 6.0108 6.3195 6.3195 6.7616 6.7616 6.8606 6.8606 k =-0.2609 0.0803 0.0000 ( 12426 PWs) bands (ev): -8.3811 -8.3811 -8.0050 -8.0050 -7.8922 -7.8922 -7.7169 -7.7169 -7.4376 -7.4376 -7.2758 -7.2758 0.3429 0.3429 0.6358 0.6358 0.8290 0.8290 1.0272 1.0272 1.1621 1.1621 1.7240 1.7240 1.8779 1.8779 2.1892 2.1892 2.2696 2.2696 2.4146 2.4146 2.5095 2.5095 2.6707 2.6707 2.8463 2.8463 3.0902 3.0902 3.3362 3.3362 3.6313 3.6313 3.8438 3.8438 4.1554 4.1554 5.5155 5.5155 5.9866 5.9866 6.3332 6.3332 6.7723 6.7723 6.8698 6.8698 k =-0.2826 0.0870 0.0000 ( 12422 PWs) bands (ev): -8.3686 -8.3686 -7.9983 -7.9983 -7.9085 -7.9085 -7.7246 -7.7246 -7.4333 -7.4333 -7.2779 -7.2779 0.3339 0.3339 0.6493 0.6493 0.8442 0.8442 1.0282 1.0282 1.1635 1.1635 1.7450 1.7450 1.8885 1.8885 2.2005 2.2005 2.2846 2.2846 2.4078 2.4078 2.4832 2.4832 2.6564 2.6564 2.8561 2.8561 3.0988 3.0988 3.3180 3.3180 3.5897 3.5897 3.8513 3.8513 4.1345 4.1345 5.4937 5.4937 5.9609 5.9609 6.3470 6.3470 6.7828 6.7828 6.8798 6.8798 k =-0.3043 0.0937 0.0000 ( 12404 PWs) bands (ev): -8.3555 -8.3555 -7.9915 -7.9915 -7.9252 -7.9252 -7.7325 -7.7325 -7.4288 -7.4288 -7.2801 -7.2801 0.3244 0.3244 0.6576 0.6576 0.8626 0.8626 1.0347 1.0347 1.1668 1.1668 1.7634 1.7634 1.8989 1.8989 2.2134 2.2134 2.3002 2.3002 2.3855 2.3855 2.4553 2.4553 2.6531 2.6531 2.8681 2.8681 3.1047 3.1047 3.3009 3.3009 3.5510 3.5510 3.8583 3.8583 4.1136 4.1136 5.4749 5.4749 5.9343 5.9343 6.3606 6.3606 6.7929 6.7929 6.8907 6.8907 k =-0.3261 0.1004 0.0000 ( 12394 PWs) bands (ev): -8.3420 -8.3420 -7.9845 -7.9845 -7.9420 -7.9420 -7.7404 -7.7404 -7.4244 -7.4244 -7.2825 -7.2825 0.3149 0.3149 0.6607 0.6607 0.8822 0.8822 1.0467 1.0467 1.1734 1.1734 1.7788 1.7788 1.9084 1.9084 2.2276 2.2276 2.3159 2.3159 2.3418 2.3418 2.4391 2.4391 2.6549 2.6549 2.8823 2.8823 3.1071 3.1071 3.2848 3.2848 3.5163 3.5163 3.8650 3.8650 4.0930 4.0930 5.4593 5.4593 5.9074 5.9074 6.3739 6.3739 6.8022 6.8022 6.9022 6.9022 k =-0.3478 0.1071 0.0000 ( 12384 PWs) bands (ev): -8.3285 -8.3285 -7.9777 -7.9777 -7.9587 -7.9587 -7.7482 -7.7482 -7.4200 -7.4200 -7.2850 -7.2850 0.3060 0.3060 0.6598 0.6598 0.8999 0.8999 1.0629 1.0629 1.1862 1.1862 1.7912 1.7912 1.9158 1.9158 2.2411 2.2411 2.2882 2.2882 2.3321 2.3321 2.4296 2.4296 2.6579 2.6579 2.8988 2.8988 3.1061 3.1061 3.2689 3.2689 3.4866 3.4866 3.8713 3.8713 4.0730 4.0730 5.4467 5.4467 5.8810 5.8810 6.3865 6.3865 6.8107 6.8107 6.9139 6.9139 k =-0.3696 0.1138 0.0000 ( 12392 PWs) bands (ev): -8.3150 -8.3150 -7.9751 -7.9751 -7.9709 -7.9709 -7.7556 -7.7556 -7.4158 -7.4158 -7.2875 -7.2875 0.2979 0.2979 0.6564 0.6564 0.9141 0.9141 1.0793 1.0793 1.2085 1.2085 1.8006 1.8006 1.9188 1.9188 2.2227 2.2227 2.2666 2.2666 2.3474 2.3474 2.4216 2.4216 2.6603 2.6603 2.9175 2.9175 3.1020 3.1020 3.2523 3.2523 3.4628 3.4628 3.8773 3.8773 4.0540 4.0540 5.4372 5.4372 5.8556 5.8556 6.3982 6.3982 6.8181 6.8181 6.9255 6.9255 k =-0.3913 0.1204 0.0000 ( 12392 PWs) bands (ev): -8.3021 -8.3021 -7.9905 -7.9905 -7.9647 -7.9647 -7.7626 -7.7626 -7.4119 -7.4119 -7.2899 -7.2899 0.2908 0.2908 0.6517 0.6517 0.9245 0.9245 1.0920 1.0920 1.2423 1.2423 1.8076 1.8076 1.9134 1.9134 2.1742 2.1742 2.2811 2.2811 2.3619 2.3619 2.4135 2.4135 2.6612 2.6612 2.9380 2.9380 3.0958 3.0958 3.2342 3.2342 3.4450 3.4450 3.8831 3.8831 4.0364 4.0364 5.4305 5.4305 5.8321 5.8321 6.4089 6.4089 6.8245 6.8245 6.9363 6.9363 k =-0.4130 0.1271 0.0000 ( 12384 PWs) bands (ev): -8.2901 -8.2901 -8.0046 -8.0046 -7.9590 -7.9590 -7.7689 -7.7689 -7.4084 -7.4084 -7.2921 -7.2921 0.2848 0.2848 0.6467 0.6467 0.9319 0.9319 1.1002 1.1002 1.2854 1.2854 1.8124 1.8124 1.8956 1.8956 2.1354 2.1354 2.2978 2.2978 2.3749 2.3749 2.4049 2.4049 2.6607 2.6607 2.9599 2.9599 3.0886 3.0886 3.2143 3.2143 3.4328 3.4328 3.8886 3.8886 4.0205 4.0205 5.4261 5.4261 5.8111 5.8111 6.4182 6.4182 6.8299 6.8299 6.9460 6.9460 k =-0.4348 0.1338 0.0000 ( 12380 PWs) bands (ev): -8.2796 -8.2796 -8.0167 -8.0167 -7.9542 -7.9542 -7.7742 -7.7742 -7.4055 -7.4055 -7.2940 -7.2940 0.2801 0.2801 0.6422 0.6422 0.9370 0.9370 1.1051 1.1051 1.3329 1.3329 1.8155 1.8155 1.8649 1.8649 2.1110 2.1110 2.3143 2.3143 2.3861 2.3861 2.3956 2.3956 2.6592 2.6592 2.9822 2.9822 3.0813 3.0813 3.1937 3.1937 3.4252 3.4252 3.8938 3.8938 4.0068 4.0068 5.4236 5.4236 5.7936 5.7936 6.4258 6.4258 6.8341 6.8341 6.9541 6.9541 k =-0.4565 0.1405 0.0000 ( 12372 PWs) bands (ev): -8.2713 -8.2713 -8.0262 -8.0262 -7.9506 -7.9506 -7.7782 -7.7782 -7.4034 -7.4034 -7.2955 -7.2955 0.2767 0.2767 0.6387 0.6387 0.9403 0.9403 1.1079 1.1079 1.3784 1.3784 1.8155 1.8155 1.8296 1.8296 2.0988 2.0988 2.3299 2.3299 2.3855 2.3855 2.3948 2.3948 2.6572 2.6572 3.0032 3.0032 3.0748 3.0748 3.1742 3.1742 3.4207 3.4207 3.8983 3.8983 3.9961 3.9961 5.4224 5.4224 5.7804 5.7804 6.4314 6.4314 6.8372 6.8372 6.9601 6.9601 k =-0.4783 0.1472 0.0000 ( 12362 PWs) bands (ev): -8.2660 -8.2660 -8.0323 -8.0323 -7.9482 -7.9482 -7.7807 -7.7807 -7.4020 -7.4020 -7.2964 -7.2964 0.2746 0.2746 0.6364 0.6364 0.9421 0.9421 1.1094 1.1094 1.4134 1.4134 1.7936 1.7936 1.8208 1.8208 2.0936 2.0936 2.3437 2.3437 2.3753 2.3753 2.4002 2.4002 2.6557 2.6557 3.0201 3.0201 3.0695 3.0695 3.1592 3.1592 3.4185 3.4185 3.9015 3.9015 3.9891 3.9891 5.4219 5.4219 5.7721 5.7721 6.4349 6.4349 6.8390 6.8390 6.9639 6.9639 k =-0.5000 0.1539 0.0000 ( 12368 PWs) bands (ev): -8.2641 -8.2641 -8.0344 -8.0344 -7.9474 -7.9474 -7.7816 -7.7816 -7.4015 -7.4015 -7.2967 -7.2967 0.2739 0.2739 0.6356 0.6356 0.9427 0.9427 1.1098 1.1098 1.4271 1.4271 1.7811 1.7811 1.8208 1.8208 2.0923 2.0923 2.3513 2.3513 2.3689 2.3689 2.4021 2.4021 2.6551 2.6551 3.0273 3.0273 3.0671 3.0671 3.1534 3.1534 3.4179 3.4179 3.9026 3.9026 3.9866 3.9866 5.4218 5.4218 5.7693 5.7693 6.4361 6.4361 6.8397 6.8397 6.9651 6.9651 k =-0.5000 0.1539 0.0000 ( 12368 PWs) bands (ev): -8.2641 -8.2641 -8.0344 -8.0344 -7.9474 -7.9474 -7.7816 -7.7816 -7.4015 -7.4015 -7.2967 -7.2967 0.2739 0.2739 0.6356 0.6356 0.9427 0.9427 1.1098 1.1098 1.4271 1.4271 1.7811 1.7811 1.8208 1.8208 2.0923 2.0923 2.3513 2.3513 2.3689 2.3689 2.4021 2.4021 2.6551 2.6551 3.0273 3.0273 3.0671 3.0671 3.1534 3.1534 3.4179 3.4179 3.9026 3.9026 3.9866 3.9866 5.4218 5.4218 5.7693 5.7693 6.4361 6.4361 6.8397 6.8397 6.9651 6.9651 k =-0.4931 0.1762-0.0000 ( 12364 PWs) bands (ev): -8.2636 -8.2636 -8.0341 -8.0341 -7.9472 -7.9472 -7.7815 -7.7815 -7.4014 -7.4014 -7.2966 -7.2966 0.2746 0.2746 0.6361 0.6361 0.9432 0.9432 1.1075 1.1075 1.4271 1.4271 1.7760 1.7760 1.8245 1.8245 2.0895 2.0895 2.3357 2.3357 2.3836 2.3836 2.4009 2.4009 2.6542 2.6542 3.0157 3.0157 3.0762 3.0762 3.1531 3.1531 3.4156 3.4156 3.9008 3.9008 3.9854 3.9854 5.4242 5.4242 5.7716 5.7716 6.4376 6.4376 6.8410 6.8410 6.9660 6.9660 k =-0.4863 0.1985-0.0000 ( 12382 PWs) bands (ev): -8.2618 -8.2618 -8.0332 -8.0332 -7.9463 -7.9463 -7.7812 -7.7812 -7.4010 -7.4010 -7.2964 -7.2964 0.2765 0.2765 0.6373 0.6373 0.9444 0.9444 1.1008 1.1008 1.4270 1.4270 1.7636 1.7636 1.8326 1.8326 2.0811 2.0811 2.3141 2.3141 2.3930 2.3930 2.4070 2.4070 2.6514 2.6514 2.9939 2.9939 3.0898 3.0898 3.1530 3.1530 3.4087 3.4087 3.8954 3.8954 3.9817 3.9817 5.4313 5.4313 5.7783 5.7783 6.4419 6.4419 6.8448 6.8448 6.9685 6.9685 k =-0.4794 0.2207-0.0000 ( 12370 PWs) bands (ev): -8.2590 -8.2590 -8.0318 -8.0318 -7.9449 -7.9449 -7.7807 -7.7807 -7.4003 -7.4003 -7.2961 -7.2961 0.2796 0.2796 0.6392 0.6392 0.9462 0.9462 1.0901 1.0901 1.4267 1.4267 1.7470 1.7470 1.8418 1.8418 2.0677 2.0677 2.2927 2.2927 2.3859 2.3859 2.4250 2.4250 2.6465 2.6465 2.9704 2.9704 3.0975 3.0975 3.1557 3.1557 3.3976 3.3976 3.8866 3.8866 3.9755 3.9755 5.4432 5.4432 5.7895 5.7895 6.4489 6.4489 6.8511 6.8511 6.9728 6.9728 k =-0.4726 0.2430-0.0000 ( 12376 PWs) bands (ev): -8.2551 -8.2551 -8.0298 -8.0298 -7.9429 -7.9429 -7.7801 -7.7801 -7.3994 -7.3994 -7.2957 -7.2957 0.2840 0.2840 0.6417 0.6417 0.9481 0.9481 1.0765 1.0765 1.4258 1.4258 1.7274 1.7274 1.8510 1.8510 2.0501 2.0501 2.2722 2.2722 2.3751 2.3751 2.4413 2.4413 2.6390 2.6390 2.9475 2.9475 3.0962 3.0962 3.1620 3.1620 3.3826 3.3826 3.8748 3.8748 3.9670 3.9670 5.4600 5.4600 5.8051 5.8051 6.4583 6.4583 6.8597 6.8597 6.9787 6.9787 k =-0.4657 0.2653-0.0000 ( 12366 PWs) bands (ev): -8.2500 -8.2500 -8.0272 -8.0272 -7.9403 -7.9403 -7.7792 -7.7792 -7.3981 -7.3981 -7.2951 -7.2951 0.2893 0.2893 0.6446 0.6446 0.9492 0.9492 1.0613 1.0613 1.4237 1.4237 1.7051 1.7051 1.8598 1.8598 2.0295 2.0295 2.2523 2.2523 2.3615 2.3615 2.4544 2.4544 2.6286 2.6286 2.9265 2.9265 3.0881 3.0881 3.1694 3.1694 3.3643 3.3643 3.8605 3.8605 3.9562 3.9562 5.4818 5.4818 5.8251 5.8251 6.4695 6.4695 6.8706 6.8706 6.9864 6.9864 k =-0.4589 0.2876-0.0000 ( 12380 PWs) bands (ev): -8.2439 -8.2439 -8.0241 -8.0241 -7.9372 -7.9372 -7.7783 -7.7783 -7.3967 -7.3967 -7.2945 -7.2945 0.2957 0.2957 0.6475 0.6475 0.9482 0.9482 1.0468 1.0468 1.4199 1.4199 1.6804 1.6804 1.8679 1.8679 2.0071 2.0071 2.2327 2.2327 2.3457 2.3457 2.4636 2.4636 2.6151 2.6151 2.9079 2.9079 3.0760 3.0760 3.1747 3.1747 3.3436 3.3436 3.8439 3.8439 3.9433 3.9433 5.5088 5.5088 5.8493 5.8493 6.4822 6.4822 6.8835 6.8835 6.9958 6.9958 k =-0.4520 0.3099-0.0000 ( 12392 PWs) bands (ev): -8.2367 -8.2367 -8.0205 -8.0205 -7.9336 -7.9336 -7.7772 -7.7772 -7.3950 -7.3950 -7.2938 -7.2938 0.3028 0.3028 0.6499 0.6499 0.9427 0.9427 1.0359 1.0359 1.4135 1.4135 1.6538 1.6538 1.8751 1.8751 1.9843 1.9843 2.2129 2.2129 2.3281 2.3281 2.4685 2.4685 2.5984 2.5984 2.8920 2.8920 3.0616 3.0616 3.1755 3.1755 3.3217 3.3217 3.8255 3.8255 3.9285 3.9285 5.5409 5.5409 5.8777 5.8777 6.4956 6.4956 6.8983 6.8983 7.0068 7.0068 k =-0.4451 0.3321-0.0000 ( 12382 PWs) bands (ev): -8.2285 -8.2285 -8.0164 -8.0164 -7.9294 -7.9294 -7.7759 -7.7759 -7.3930 -7.3930 -7.2932 -7.2932 0.3106 0.3106 0.6512 0.6512 0.9314 0.9314 1.0309 1.0309 1.4037 1.4037 1.6258 1.6258 1.8811 1.8811 1.9624 1.9624 2.1927 2.1927 2.3089 2.3089 2.4685 2.4685 2.5795 2.5795 2.8787 2.8787 3.0461 3.0461 3.1700 3.1700 3.3004 3.3004 3.8056 3.8056 3.9122 3.9122 5.5782 5.5782 5.9102 5.9102 6.5092 6.5092 6.9147 6.9147 7.0193 7.0193 k =-0.4383 0.3544-0.0000 ( 12396 PWs) bands (ev): -8.2194 -8.2194 -8.0118 -8.0118 -7.9247 -7.9247 -7.7746 -7.7746 -7.3909 -7.3909 -7.2925 -7.2925 0.3188 0.3188 0.6507 0.6507 0.9153 0.9153 1.0317 1.0317 1.3896 1.3896 1.5972 1.5972 1.8856 1.8856 1.9424 1.9424 2.1721 2.1721 2.2886 2.2886 2.4628 2.4628 2.5596 2.5596 2.8676 2.8676 3.0300 3.0300 3.1569 3.1569 3.2816 3.2816 3.7845 3.7845 3.8948 3.8948 5.6206 5.6206 5.9467 5.9467 6.5224 6.5224 6.9325 6.9325 7.0332 7.0332 k =-0.4314 0.3767-0.0000 ( 12416 PWs) bands (ev): -8.2093 -8.2093 -8.0068 -8.0068 -7.9196 -7.9196 -7.7732 -7.7732 -7.3885 -7.3885 -7.2918 -7.2918 0.3273 0.3273 0.6474 0.6474 0.8972 0.8972 1.0364 1.0364 1.3708 1.3708 1.5685 1.5685 1.8887 1.8887 1.9247 1.9247 2.1509 2.1509 2.2674 2.2674 2.4505 2.4505 2.5407 2.5407 2.8578 2.8578 3.0135 3.0135 3.1362 3.1362 3.2662 3.2662 3.7625 3.7625 3.8766 3.8766 5.6681 5.6681 5.9870 5.9870 6.5348 6.5348 6.9516 6.9516 7.0483 7.0483 k =-0.4246 0.3990-0.0000 ( 12426 PWs) bands (ev): -8.1983 -8.1983 -8.0014 -8.0014 -7.9140 -7.9140 -7.7717 -7.7717 -7.3860 -7.3860 -7.2913 -7.2913 0.3359 0.3359 0.6404 0.6404 0.8796 0.8796 1.0433 1.0433 1.3470 1.3470 1.5404 1.5404 1.8901 1.8901 1.9099 1.9099 2.1291 2.1291 2.2461 2.2461 2.4316 2.4316 2.5243 2.5243 2.8486 2.8486 2.9963 2.9963 3.1099 3.1099 3.2535 3.2535 3.7396 3.7396 3.8579 3.8579 5.7205 5.7205 6.0311 6.0311 6.5459 6.5459 6.9716 6.9716 7.0642 7.0642 k =-0.4177 0.4213-0.0000 ( 12422 PWs) bands (ev): -8.1865 -8.1865 -7.9956 -7.9956 -7.9079 -7.9079 -7.7702 -7.7702 -7.3832 -7.3832 -7.2909 -7.2909 0.3443 0.3443 0.6288 0.6288 0.8641 0.8641 1.0513 1.0513 1.3187 1.3187 1.5128 1.5128 1.8894 1.8894 1.8980 1.8980 2.1065 2.1065 2.2256 2.2256 2.4071 2.4071 2.5110 2.5110 2.8386 2.8386 2.9776 2.9776 3.0811 3.0811 3.2423 3.2423 3.7162 3.7162 3.8391 3.8391 5.7775 5.7775 6.0788 6.0788 6.5556 6.5556 6.9924 6.9924 7.0806 7.0806 k =-0.4108 0.4435-0.0000 ( 12418 PWs) bands (ev): -8.1739 -8.1739 -7.9895 -7.9895 -7.9014 -7.9014 -7.7687 -7.7687 -7.3803 -7.3803 -7.2906 -7.2906 0.3523 0.3523 0.6126 0.6126 0.8513 0.8513 1.0594 1.0594 1.2871 1.2871 1.4860 1.4860 1.8827 1.8827 1.8927 1.8927 2.0826 2.0826 2.2070 2.2070 2.3794 2.3794 2.5000 2.5000 2.8266 2.8266 2.9563 2.9563 3.0534 3.0534 3.2318 3.2318 3.6924 3.6924 3.8205 3.8205 5.8388 5.8388 6.1299 6.1299 6.5640 6.5640 7.0137 7.0137 7.0971 7.0971 k =-0.4040 0.4658-0.0000 ( 12408 PWs) bands (ev): -8.1606 -8.1606 -7.9831 -7.9831 -7.8946 -7.8946 -7.7673 -7.7673 -7.3773 -7.3773 -7.2905 -7.2905 0.3597 0.3597 0.5923 0.5923 0.8405 0.8405 1.0669 1.0669 1.2535 1.2535 1.4599 1.4599 1.8714 1.8714 1.8917 1.8917 2.0574 2.0574 2.1912 2.1912 2.3507 2.3507 2.4908 2.4908 2.8108 2.8108 2.9318 2.9318 3.0295 3.0295 3.2214 3.2214 3.6682 3.6682 3.8025 3.8025 5.9040 5.9040 6.1841 6.1841 6.5714 6.5714 7.0351 7.0351 7.1132 7.1132 k =-0.3971 0.4881-0.0000 ( 12416 PWs) bands (ev): -8.1466 -8.1466 -7.9764 -7.9764 -7.8873 -7.8873 -7.7659 -7.7659 -7.3741 -7.3741 -7.2906 -7.2906 0.3663 0.3663 0.5689 0.5689 0.8304 0.8304 1.0731 1.0731 1.2192 1.2192 1.4349 1.4349 1.8581 1.8581 1.8915 1.8915 2.0316 2.0316 2.1789 2.1789 2.3227 2.3227 2.4832 2.4832 2.7894 2.7894 2.9052 2.9052 3.0102 3.0102 3.2112 3.2112 3.6440 3.6440 3.7851 3.7851 5.9726 5.9726 6.2413 6.2413 6.5781 6.5781 7.0563 7.0563 7.1282 7.1282 k =-0.3903 0.5104-0.0000 ( 12422 PWs) bands (ev): -8.1320 -8.1320 -7.9696 -7.9696 -7.8798 -7.8798 -7.7646 -7.7646 -7.3708 -7.3708 -7.2910 -7.2910 0.3719 0.3719 0.5435 0.5435 0.8196 0.8196 1.0772 1.0772 1.1856 1.1856 1.4114 1.4114 1.8418 1.8418 1.8912 1.8912 2.0074 2.0074 2.1696 2.1696 2.2968 2.2968 2.4770 2.4770 2.7614 2.7614 2.8790 2.8790 2.9945 2.9945 3.2013 3.2013 3.6197 3.6197 3.7684 3.7684 6.0438 6.0438 6.3011 6.3011 6.5850 6.5850 7.0765 7.0765 7.1417 7.1417 k =-0.3834 0.5327-0.0000 ( 12419 PWs) bands (ev): -8.1170 -8.1170 -7.9627 -7.9627 -7.8719 -7.8719 -7.7635 -7.7635 -7.3674 -7.3674 -7.2917 -7.2917 0.3764 0.3764 0.5173 0.5173 0.8065 0.8065 1.0783 1.0783 1.1540 1.1540 1.3900 1.3900 1.8213 1.8213 1.8901 1.8901 1.9879 1.9879 2.1623 2.1623 2.2743 2.2743 2.4722 2.4722 2.7270 2.7270 2.8545 2.8545 2.9807 2.9807 3.1921 3.1921 3.5955 3.5955 3.7526 3.7526 6.1167 6.1167 6.3631 6.3631 6.5931 6.5931 7.0947 7.0947 7.1532 7.1532 k =-0.3766 0.5550-0.0000 ( 12415 PWs) bands (ev): -8.1014 -8.1014 -7.9557 -7.9557 -7.8638 -7.8638 -7.7625 -7.7625 -7.3640 -7.3640 -7.2927 -7.2927 0.3794 0.3794 0.4913 0.4913 0.7900 0.7900 1.0756 1.0756 1.1253 1.1253 1.3712 1.3712 1.7958 1.7958 1.8876 1.8876 1.9759 1.9759 2.1554 2.1554 2.2563 2.2563 2.4688 2.4688 2.6884 2.6884 2.8315 2.8315 2.9675 2.9675 3.1837 3.1837 3.5716 3.5716 3.7375 3.7375 6.1899 6.1899 6.4271 6.4271 6.6039 6.6039 7.1088 7.1088 7.1637 7.1637 k =-0.3697 0.5772-0.0000 ( 12411 PWs) bands (ev): -8.0856 -8.0856 -7.9487 -7.9487 -7.8554 -7.8554 -7.7617 -7.7617 -7.3605 -7.3605 -7.2940 -7.2940 0.3806 0.3806 0.4668 0.4668 0.7694 0.7694 1.0683 1.0683 1.1000 1.1000 1.3550 1.3550 1.7662 1.7662 1.8843 1.8843 1.9718 1.9718 2.1470 2.1470 2.2436 2.2436 2.4667 2.4667 2.6480 2.6480 2.8093 2.8093 2.9541 2.9541 3.1763 3.1763 3.5481 3.5481 3.7231 3.7231 6.2609 6.2609 6.4925 6.4925 6.6198 6.6198 7.1156 7.1156 7.1754 7.1754 k =-0.3628 0.5995-0.0000 ( 12407 PWs) bands (ev): -8.0694 -8.0694 -7.9418 -7.9418 -7.8468 -7.8468 -7.7611 -7.7611 -7.3570 -7.3570 -7.2956 -7.2956 0.3789 0.3789 0.4452 0.4452 0.7448 0.7448 1.0560 1.0560 1.0786 1.0786 1.3409 1.3409 1.7350 1.7350 1.8812 1.8812 1.9739 1.9739 2.1363 2.1363 2.2363 2.2363 2.4660 2.4660 2.6081 2.6081 2.7872 2.7872 2.9401 2.9401 3.1700 3.1700 3.5251 3.5251 3.7092 3.7092 6.3263 6.3263 6.5587 6.5587 6.6442 6.6442 7.1136 7.1136 7.1900 7.1900 k =-0.3560 0.6218-0.0000 ( 12401 PWs) bands (ev): -8.0530 -8.0530 -7.9351 -7.9351 -7.8381 -7.8381 -7.7608 -7.7608 -7.3536 -7.3536 -7.2976 -7.2976 0.3728 0.3728 0.4285 0.4285 0.7169 0.7169 1.0392 1.0392 1.0600 1.0600 1.3273 1.3273 1.7051 1.7051 1.8790 1.8790 1.9802 1.9802 2.1231 2.1231 2.2336 2.2336 2.4663 2.4663 2.5707 2.5707 2.7651 2.7651 2.9253 2.9253 3.1644 3.1644 3.5026 3.5026 3.6957 3.6957 6.3818 6.3818 6.6250 6.6250 6.6814 6.6814 7.1045 7.1045 7.2069 7.2069 k =-0.3491 0.6441-0.0000 ( 12397 PWs) bands (ev): -8.0365 -8.0365 -7.9287 -7.9287 -7.8292 -7.8292 -7.7608 -7.7608 -7.3501 -7.3501 -7.2999 -7.2999 0.3612 0.3612 0.4183 0.4183 0.6867 0.6867 1.0199 1.0199 1.0426 1.0426 1.3122 1.3122 1.6794 1.6794 1.8778 1.8778 1.9890 1.9890 2.1085 2.1085 2.2338 2.2338 2.4672 2.4672 2.5379 2.5379 2.7430 2.7430 2.9098 2.9098 3.1594 3.1594 3.4808 3.4808 3.6824 3.6824 6.4244 6.4244 6.6905 6.6905 6.7344 6.7344 7.0911 7.0911 7.2248 7.2248 k =-0.3423 0.6664-0.0000 ( 12399 PWs) bands (ev): -8.0200 -8.0200 -7.9226 -7.9226 -7.8202 -7.8202 -7.7611 -7.7611 -7.3467 -7.3467 -7.3025 -7.3025 0.3457 0.3457 0.4131 0.4131 0.6554 0.6554 0.9988 0.9988 1.0257 1.0257 1.2938 1.2938 1.6603 1.6603 1.8771 1.8771 1.9983 1.9983 2.0938 2.0938 2.2357 2.2357 2.4669 2.4669 2.5125 2.5125 2.7212 2.7212 2.8940 2.8940 3.1546 3.1546 3.4595 3.4595 3.6691 3.6691 6.4550 6.4550 6.7541 6.7541 6.8020 6.8020 7.0760 7.0760 7.2431 7.2431 k =-0.3354 0.6886-0.0000 ( 12401 PWs) bands (ev): -8.0034 -8.0034 -7.9170 -7.9170 -7.8112 -7.8112 -7.7617 -7.7617 -7.3433 -7.3433 -7.3054 -7.3054 0.3290 0.3290 0.4103 0.4103 0.6244 0.6244 0.9764 0.9764 1.0092 1.0092 1.2706 1.2706 1.6487 1.6487 1.8761 1.8761 2.0055 2.0055 2.0821 2.0821 2.2387 2.2387 2.4611 2.4611 2.4994 2.4994 2.7002 2.7002 2.8782 2.8782 3.1496 3.1496 3.4390 3.4390 3.6557 3.6557 6.4769 6.4769 6.8150 6.8150 6.8796 6.8796 7.0610 7.0610 7.2616 7.2616 k =-0.3285 0.7109-0.0000 ( 12419 PWs) bands (ev): -7.9871 -7.9871 -7.9120 -7.9120 -7.8021 -7.8021 -7.7628 -7.7628 -7.3401 -7.3401 -7.3085 -7.3085 0.3126 0.3126 0.4085 0.4085 0.5951 0.5951 0.9530 0.9530 0.9934 0.9934 1.2426 1.2426 1.6445 1.6445 1.8736 1.8736 2.0063 2.0063 2.0778 2.0778 2.2429 2.2429 2.4496 2.4496 2.4986 2.4986 2.6805 2.6805 2.8631 2.8631 3.1440 3.1440 3.4191 3.4191 3.6420 3.6420 6.4937 6.4937 6.8719 6.8719 6.9618 6.9618 7.0491 7.0491 7.2806 7.2806 k =-0.3217 0.7332-0.0000 ( 12425 PWs) bands (ev): -7.9709 -7.9709 -7.9077 -7.9077 -7.7931 -7.7931 -7.7642 -7.7642 -7.3370 -7.3370 -7.3118 -7.3118 0.2970 0.2970 0.4066 0.4066 0.5688 0.5688 0.9289 0.9289 0.9782 0.9782 1.2107 1.2107 1.6460 1.6460 1.8682 1.8682 1.9995 1.9995 2.0832 2.0832 2.2487 2.2487 2.4381 2.4381 2.5033 2.5033 2.6632 2.6632 2.8489 2.8489 3.1375 3.1375 3.3998 3.3998 3.6281 3.6281 6.5078 6.5078 6.9220 6.9220 7.0244 7.0244 7.0624 7.0624 7.3007 7.3007 k =-0.3148 0.7555-0.0000 ( 12425 PWs) bands (ev): -7.9550 -7.9550 -7.9041 -7.9041 -7.7842 -7.7842 -7.7660 -7.7660 -7.3341 -7.3341 -7.3151 -7.3151 0.2824 0.2824 0.4041 0.4041 0.5472 0.5472 0.9046 0.9046 0.9639 0.9639 1.1763 1.1763 1.6509 1.6509 1.8591 1.8591 1.9892 1.9892 2.0952 2.0952 2.2565 2.2565 2.4285 2.4285 2.5096 2.5096 2.6494 2.6494 2.8364 2.8364 3.1299 3.1299 3.3811 3.3811 3.6139 3.6139 6.5209 6.5209 6.9602 6.9602 7.0307 7.0307 7.1379 7.1379 7.3241 7.3241 k =-0.3080 0.7778-0.0000 ( 12423 PWs) bands (ev): -7.9394 -7.9394 -7.9015 -7.9015 -7.7753 -7.7753 -7.7683 -7.7683 -7.3314 -7.3314 -7.3185 -7.3185 0.2684 0.2684 0.4003 0.4003 0.5315 0.5315 0.8802 0.8802 0.9504 0.9504 1.1408 1.1408 1.6566 1.6566 1.8468 1.8468 1.9794 1.9794 2.1104 2.1104 2.2667 2.2667 2.4205 2.4205 2.5153 2.5153 2.6408 2.6408 2.8260 2.8260 3.1209 3.1209 3.3631 3.3631 3.5993 3.5993 6.5337 6.5337 6.9788 6.9788 7.0448 7.0448 7.2115 7.2115 7.3556 7.3556 k =-0.3011 0.8000-0.0000 ( 12433 PWs) bands (ev): -7.9243 -7.9243 -7.8998 -7.8998 -7.7710 -7.7710 -7.7665 -7.7665 -7.3290 -7.3290 -7.3217 -7.3217 0.2548 0.2548 0.3956 0.3956 0.5226 0.5226 0.8561 0.8561 0.9381 0.9381 1.1054 1.1054 1.6602 1.6602 1.8330 1.8330 1.9718 1.9718 2.1271 2.1271 2.2788 2.2788 2.4134 2.4134 2.5185 2.5185 2.6393 2.6393 2.8183 2.8183 3.1104 3.1104 3.3457 3.3457 3.5846 3.5846 6.5468 6.5468 6.9831 6.9831 7.0669 7.0669 7.2671 7.2671 7.4031 7.4031 k =-0.2943 0.8223-0.0000 ( 12439 PWs) bands (ev): -7.9098 -7.9098 -7.8991 -7.8991 -7.7741 -7.7741 -7.7580 -7.7580 -7.3277 -7.3277 -7.3240 -7.3240 0.2412 0.2412 0.3910 0.3910 0.5203 0.5203 0.8324 0.8324 0.9271 0.9271 1.0711 1.0711 1.6588 1.6588 1.8201 1.8201 1.9667 1.9667 2.1444 2.1444 2.2922 2.2922 2.4067 2.4067 2.5187 2.5187 2.6458 2.6458 2.8137 2.8137 3.0984 3.0984 3.3290 3.3290 3.5696 3.5696 6.5605 6.5605 6.9844 6.9844 7.0854 7.0854 7.3022 7.3022 7.4668 7.4668 k =-0.2874 0.8446-0.0000 ( 12425 PWs) bands (ev): -7.9010 -7.9010 -7.8947 -7.8947 -7.7777 -7.7777 -7.7496 -7.7496 -7.3293 -7.3293 -7.3234 -7.3234 0.2275 0.2275 0.3879 0.3879 0.5235 0.5235 0.8094 0.8094 0.9175 0.9175 1.0387 1.0387 1.6511 1.6511 1.8094 1.8094 1.9648 1.9648 2.1616 2.1616 2.3055 2.3055 2.4005 2.4005 2.5165 2.5165 2.6595 2.6595 2.8126 2.8126 3.0849 3.0849 3.3133 3.3133 3.5547 3.5547 6.5750 6.5750 6.9868 6.9868 7.0961 7.0961 7.3250 7.3250 7.5365 7.5365 k =-0.2805 0.8669-0.0000 ( 12427 PWs) bands (ev): -7.9027 -7.9027 -7.8816 -7.8816 -7.7818 -7.7818 -7.7414 -7.7414 -7.3318 -7.3318 -7.3218 -7.3218 0.2137 0.2137 0.3874 0.3874 0.5312 0.5312 0.7873 0.7873 0.9095 0.9095 1.0088 1.0088 1.6376 1.6376 1.8002 1.8002 1.9665 1.9665 2.1777 2.1777 2.3166 2.3166 2.3961 2.3961 2.5137 2.5137 2.6786 2.6786 2.8151 2.8151 3.0703 3.0703 3.2985 3.2985 3.5399 3.5399 6.5901 6.5901 6.9914 6.9914 7.0981 7.0981 7.3415 7.3415 7.6038 7.6038 k =-0.2737 0.8892-0.0000 ( 12443 PWs) bands (ev): -7.9062 -7.9062 -7.8688 -7.8688 -7.7863 -7.7863 -7.7336 -7.7336 -7.3341 -7.3341 -7.3204 -7.3204 0.2003 0.2003 0.3902 0.3902 0.5421 0.5421 0.7664 0.7664 0.9033 0.9033 0.9818 0.9818 1.6202 1.6202 1.7904 1.7904 1.9723 1.9723 2.1921 2.1921 2.3226 2.3226 2.3957 2.3957 2.5119 2.5119 2.7015 2.7015 2.8209 2.8209 3.0549 3.0549 3.2851 3.2851 3.5255 3.5255 6.6061 6.6061 6.9986 6.9986 7.0917 7.0917 7.3543 7.3543 7.6451 7.6451 k =-0.2737 0.8892-0.0000 ( 12443 PWs) bands (ev): -7.9062 -7.9062 -7.8688 -7.8688 -7.7863 -7.7863 -7.7336 -7.7336 -7.3341 -7.3341 -7.3204 -7.3204 0.2003 0.2003 0.3902 0.3902 0.5421 0.5421 0.7664 0.7664 0.9033 0.9033 0.9818 0.9818 1.6202 1.6202 1.7904 1.7904 1.9723 1.9723 2.1921 2.1921 2.3226 2.3226 2.3957 2.3957 2.5119 2.5119 2.7015 2.7015 2.8209 2.8209 3.0549 3.0549 3.2851 3.2851 3.5255 3.5255 6.6061 6.6061 6.9986 6.9986 7.0917 7.0917 7.3543 7.3543 7.6451 7.6451 k =-0.2737 0.8892 0.0229 ( 12441 PWs) bands (ev): -7.9060 -7.9060 -7.8687 -7.8687 -7.7864 -7.7864 -7.7338 -7.7338 -7.3341 -7.3341 -7.3204 -7.3204 0.2011 0.2011 0.3920 0.3920 0.5433 0.5433 0.7644 0.7644 0.9033 0.9033 0.9833 0.9833 1.6153 1.6153 1.7873 1.7873 1.9724 1.9724 2.1892 2.1892 2.3231 2.3231 2.4008 2.4008 2.5094 2.5094 2.7056 2.7056 2.8218 2.8218 3.0551 3.0551 3.2851 3.2851 3.5253 3.5253 6.6072 6.6072 6.9955 6.9955 7.0955 7.0955 7.3525 7.3525 7.6448 7.6448 k =-0.2737 0.8892 0.0458 ( 12443 PWs) bands (ev): -7.9055 -7.9055 -7.8684 -7.8684 -7.7867 -7.7867 -7.7345 -7.7345 -7.3340 -7.3340 -7.3205 -7.3205 0.2037 0.2037 0.3972 0.3972 0.5466 0.5466 0.7585 0.7585 0.9033 0.9033 0.9872 0.9872 1.6011 1.6011 1.7778 1.7778 1.9725 1.9725 2.1826 2.1826 2.3230 2.3230 2.4155 2.4155 2.5026 2.5026 2.7167 2.7167 2.8247 2.8247 3.0554 3.0554 3.2853 3.2853 3.5245 3.5245 6.6104 6.6104 6.9876 6.9876 7.1051 7.1051 7.3471 7.3471 7.6438 7.6438 k =-0.2737 0.8892 0.0687 ( 12430 PWs) bands (ev): -7.9046 -7.9046 -7.8679 -7.8679 -7.7871 -7.7871 -7.7357 -7.7357 -7.3338 -7.3338 -7.3206 -7.3206 0.2079 0.2079 0.4059 0.4059 0.5518 0.5518 0.7498 0.7498 0.9034 0.9034 0.9927 0.9927 1.5793 1.5793 1.7615 1.7615 1.9725 1.9725 2.1760 2.1760 2.3207 2.3207 2.4370 2.4370 2.4935 2.4935 2.7326 2.7326 2.8300 2.8300 3.0557 3.0557 3.2857 3.2857 3.5236 3.5236 6.6156 6.6156 6.9778 6.9778 7.1178 7.1178 7.3389 7.3389 7.6405 7.6405 k =-0.2737 0.8892 0.0916 ( 12431 PWs) bands (ev): -7.9034 -7.9034 -7.8673 -7.8673 -7.7876 -7.7876 -7.7373 -7.7373 -7.3335 -7.3335 -7.3208 -7.3208 0.2139 0.2139 0.4178 0.4178 0.5582 0.5582 0.7397 0.7397 0.9036 0.9036 0.9985 0.9985 1.5521 1.5521 1.7384 1.7384 1.9727 1.9727 2.1710 2.1710 2.3166 2.3166 2.4591 2.4591 2.4856 2.4856 2.7502 2.7502 2.8388 2.8388 3.0557 3.0557 3.2866 3.2866 3.5227 3.5227 6.6227 6.6227 6.9681 6.9681 7.1315 7.1315 7.3286 7.3286 7.6314 7.6314 k =-0.2737 0.8892 0.1145 ( 12419 PWs) bands (ev): -7.9019 -7.9019 -7.8666 -7.8666 -7.7882 -7.7882 -7.7393 -7.7393 -7.3332 -7.3332 -7.3210 -7.3210 0.2218 0.2218 0.4326 0.4326 0.5650 0.5650 0.7298 0.7298 0.9037 0.9037 1.0034 1.0034 1.5216 1.5216 1.7091 1.7091 1.9736 1.9736 2.1677 2.1677 2.3123 2.3123 2.4629 2.4629 2.4957 2.4957 2.7667 2.7667 2.8520 2.8520 3.0551 3.0551 3.2885 3.2885 3.5220 3.5220 6.6317 6.6317 6.9594 6.9594 7.1453 7.1453 7.3172 7.3172 7.6131 7.6131 k =-0.2737 0.8892 0.1373 ( 12411 PWs) bands (ev): -7.9001 -7.9001 -7.8658 -7.8658 -7.7888 -7.7888 -7.7417 -7.7417 -7.3328 -7.3328 -7.3212 -7.3212 0.2315 0.2315 0.4501 0.4501 0.5705 0.5705 0.7220 0.7220 0.9036 0.9036 1.0064 1.0064 1.4899 1.4899 1.6745 1.6745 1.9760 1.9760 2.1647 2.1647 2.3089 2.3089 2.4524 2.4524 2.5185 2.5185 2.7802 2.7802 2.8695 2.8695 3.0537 3.0537 3.2917 3.2917 3.5219 3.5219 6.6422 6.6422 6.9522 6.9522 7.1588 7.1588 7.3057 7.3057 7.5850 7.5850 k =-0.2737 0.8892 0.1602 ( 12419 PWs) bands (ev): -7.8980 -7.8980 -7.8651 -7.8651 -7.7892 -7.7892 -7.7444 -7.7444 -7.3323 -7.3323 -7.3215 -7.3215 0.2431 0.2431 0.4697 0.4697 0.5730 0.5730 0.7187 0.7187 0.9029 0.9029 1.0068 1.0068 1.4588 1.4588 1.6359 1.6359 1.9803 1.9803 2.1610 2.1610 2.3073 2.3073 2.4399 2.4399 2.5410 2.5410 2.7905 2.7905 2.8896 2.8896 3.0516 3.0516 3.2971 3.2971 3.5224 3.5224 6.6541 6.6541 6.9461 6.9461 7.1719 7.1719 7.2951 7.2951 7.5495 7.5495 k =-0.2737 0.8892 0.1831 ( 12423 PWs) bands (ev): -7.8957 -7.8957 -7.8645 -7.8645 -7.7895 -7.7895 -7.7475 -7.7475 -7.3318 -7.3318 -7.3219 -7.3219 0.2565 0.2565 0.4908 0.4908 0.5711 0.5711 0.7215 0.7215 0.9011 0.9011 1.0043 1.0043 1.4296 1.4296 1.5950 1.5950 1.9865 1.9865 2.1560 2.1560 2.3073 2.3073 2.4268 2.4268 2.5618 2.5618 2.7981 2.7981 2.9093 2.9093 3.0488 3.0488 3.3055 3.3055 3.5233 3.5233 6.6673 6.6673 6.9405 6.9405 7.1847 7.1847 7.2866 7.2866 7.5101 7.5101 k =-0.2737 0.8892 0.2060 ( 12422 PWs) bands (ev): -7.8931 -7.8931 -7.8642 -7.8642 -7.7895 -7.7895 -7.7509 -7.7509 -7.3312 -7.3312 -7.3223 -7.3223 0.2717 0.2717 0.5111 0.5111 0.5662 0.5662 0.7303 0.7303 0.8975 0.8975 0.9994 0.9994 1.4034 1.4034 1.5531 1.5531 1.9948 1.9948 2.1496 2.1496 2.3086 2.3086 2.4137 2.4137 2.5809 2.5809 2.8038 2.8038 2.9257 2.9257 3.0459 3.0459 3.3176 3.3176 3.5241 3.5241 6.6816 6.6816 6.9346 6.9346 7.1967 7.1967 7.2816 7.2816 7.4702 7.4702 k =-0.2737 0.8892 0.2289 ( 12412 PWs) bands (ev): -7.8904 -7.8904 -7.8642 -7.8642 -7.7891 -7.7891 -7.7544 -7.7544 -7.3307 -7.3307 -7.3227 -7.3227 0.2886 0.2886 0.5230 0.5230 0.5668 0.5668 0.7436 0.7436 0.8916 0.8916 0.9929 0.9929 1.3808 1.3808 1.5116 1.5116 2.0048 2.0048 2.1421 2.1421 2.3107 2.3107 2.4007 2.4007 2.5985 2.5985 2.8077 2.8077 2.9373 2.9373 3.0431 3.0431 3.3335 3.3335 3.5243 3.5243 6.6969 6.6969 6.9275 6.9275 7.2067 7.2067 7.2821 7.2821 7.4329 7.4329 k =-0.2737 0.8892 0.2518 ( 12400 PWs) bands (ev): -7.8876 -7.8876 -7.8646 -7.8646 -7.7882 -7.7882 -7.7581 -7.7581 -7.3300 -7.3300 -7.3232 -7.3232 0.3070 0.3070 0.5167 0.5167 0.5835 0.5835 0.7585 0.7585 0.8834 0.8834 0.9858 0.9858 1.3619 1.3619 1.4721 1.4721 2.0163 2.0163 2.1338 2.1338 2.3130 2.3130 2.3881 2.3881 2.6148 2.6148 2.8098 2.8098 2.9442 2.9442 3.0404 3.0404 3.3531 3.3531 3.5233 3.5233 6.7129 6.7129 6.9186 6.9186 7.2133 7.2133 7.2884 7.2884 7.4020 7.4020 k =-0.2737 0.8892 0.2747 ( 12402 PWs) bands (ev): -7.8846 -7.8846 -7.8654 -7.8654 -7.7869 -7.7869 -7.7619 -7.7619 -7.3294 -7.3294 -7.3237 -7.3237 0.3268 0.3268 0.5007 0.5007 0.6086 0.6086 0.7709 0.7709 0.8750 0.8750 0.9788 0.9788 1.3469 1.3469 1.4359 1.4359 2.0289 2.0289 2.1250 2.1250 2.3153 2.3153 2.3763 2.3763 2.6298 2.6298 2.8101 2.8101 2.9477 2.9477 3.0376 3.0376 3.3750 3.3750 3.5204 3.5204 6.7294 6.7294 6.9075 6.9075 7.2169 7.2169 7.2949 7.2949 7.3847 7.3847 k =-0.2737 0.8892 0.2976 ( 12397 PWs) bands (ev): -7.8817 -7.8817 -7.8666 -7.8666 -7.7851 -7.7851 -7.7658 -7.7658 -7.3288 -7.3288 -7.3242 -7.3242 0.3477 0.3477 0.4811 0.4811 0.6362 0.6362 0.7748 0.7748 0.8709 0.8709 0.9719 0.9719 1.3358 1.3358 1.4047 1.4047 2.0419 2.0419 2.1157 2.1157 2.3177 2.3177 2.3657 2.3657 2.6431 2.6431 2.8086 2.8086 2.9495 2.9495 3.0345 3.0345 3.3976 3.3976 3.5152 3.5152 6.7459 6.7459 6.8947 6.8947 7.2194 7.2194 7.2917 7.2917 7.3903 7.3903 k =-0.2737 0.8892 0.3205 ( 12398 PWs) bands (ev): -7.8789 -7.8789 -7.8682 -7.8682 -7.7827 -7.7827 -7.7695 -7.7695 -7.3282 -7.3282 -7.3247 -7.3247 0.3694 0.3694 0.4599 0.4599 0.6645 0.6645 0.7663 0.7663 0.8744 0.8744 0.9653 0.9653 1.3286 1.3286 1.3800 1.3800 2.0549 2.0549 2.1061 2.1061 2.3202 2.3202 2.3567 2.3567 2.6538 2.6538 2.8062 2.8062 2.9505 2.9505 3.0315 3.0315 3.4190 3.4190 3.5079 3.5079 6.7613 6.7613 6.8815 6.8815 7.2219 7.2219 7.2805 7.2805 7.4162 7.4162 k =-0.2737 0.8892 0.3434 ( 12412 PWs) bands (ev): -7.8763 -7.8763 -7.8701 -7.8701 -7.7800 -7.7800 -7.7731 -7.7731 -7.3278 -7.3278 -7.3251 -7.3251 0.3914 0.3914 0.4381 0.4381 0.6921 0.6921 0.7481 0.7481 0.8813 0.8813 0.9597 0.9597 1.3250 1.3250 1.3637 1.3637 2.0668 2.0668 2.0964 2.0964 2.3225 2.3225 2.3502 2.3502 2.6610 2.6610 2.8039 2.8039 2.9513 2.9513 3.0293 3.0293 3.4361 3.4361 3.4999 3.4999 6.7734 6.7734 6.8704 6.8704 7.2247 7.2247 7.2700 7.2700 7.4532 7.4532 k =-0.2737 0.8892 0.3663 ( 12410 PWs) bands (ev): -7.8748 -7.8748 -7.8713 -7.8713 -7.7776 -7.7776 -7.7758 -7.7758 -7.3276 -7.3276 -7.3253 -7.3253 0.4091 0.4091 0.4204 0.4204 0.7113 0.7113 0.7317 0.7317 0.8847 0.8847 0.9572 0.9572 1.3241 1.3241 1.3578 1.3578 2.0735 2.0735 2.0905 2.0905 2.3236 2.3236 2.3477 2.3477 2.6635 2.6635 2.8030 2.8030 2.9516 2.9516 3.0285 3.0285 3.4434 3.4434 3.4958 3.4958 6.7783 6.7783 6.8658 6.8658 7.2260 7.2260 7.2657 7.2657 7.4939 7.4939 k =-0.2737 0.8892 0.3663 ( 12410 PWs) bands (ev): -7.8748 -7.8748 -7.8713 -7.8713 -7.7776 -7.7776 -7.7758 -7.7758 -7.3276 -7.3276 -7.3253 -7.3253 0.4091 0.4091 0.4204 0.4204 0.7113 0.7113 0.7317 0.7317 0.8847 0.8847 0.9572 0.9572 1.3241 1.3241 1.3578 1.3578 2.0735 2.0735 2.0905 2.0905 2.3236 2.3236 2.3477 2.3477 2.6635 2.6635 2.8030 2.8030 2.9516 2.9516 3.0285 3.0285 3.4434 3.4434 3.4958 3.4958 6.7783 6.7783 6.8658 6.8658 7.2260 7.2260 7.2657 7.2657 7.4939 7.4940 k =-0.2805 0.8669 0.3663 ( 12402 PWs) bands (ev): -7.8751 -7.8751 -7.8713 -7.8713 -7.7841 -7.7841 -7.7826 -7.7826 -7.3268 -7.3268 -7.3240 -7.3240 0.4067 0.4067 0.4245 0.4245 0.7252 0.7252 0.7543 0.7543 0.8802 0.8802 0.9654 0.9654 1.3278 1.3278 1.3621 1.3621 2.0695 2.0695 2.0961 2.0961 2.3500 2.3500 2.3524 2.3524 2.6696 2.6696 2.7859 2.7859 2.9601 2.9601 3.0204 3.0204 3.4413 3.4413 3.4922 3.4922 6.7740 6.7740 6.8603 6.8603 7.2163 7.2163 7.2526 7.2526 7.4801 7.4819 k =-0.2874 0.8446 0.3663 ( 12406 PWs) bands (ev): -7.8771 -7.8771 -7.8731 -7.8731 -7.7905 -7.7905 -7.7893 -7.7893 -7.3258 -7.3258 -7.3227 -7.3227 0.4069 0.4069 0.4309 0.4309 0.7397 0.7397 0.7762 0.7762 0.8793 0.8793 0.9757 0.9757 1.3320 1.3320 1.3672 1.3672 2.0641 2.0641 2.0959 2.0959 2.3627 2.3627 2.3785 2.3785 2.6775 2.6775 2.7678 2.7678 2.9719 2.9719 3.0138 3.0138 3.4398 3.4398 3.4886 3.4886 6.7697 6.7697 6.8547 6.8547 7.2031 7.2031 7.2358 7.2358 7.4567 7.4567 k =-0.2943 0.8223 0.3663 ( 12402 PWs) bands (ev): -7.8807 -7.8807 -7.8766 -7.8766 -7.7966 -7.7966 -7.7957 -7.7957 -7.3247 -7.3247 -7.3212 -7.3212 0.4094 0.4094 0.4397 0.4397 0.7546 0.7546 0.7946 0.7946 0.8842 0.8842 0.9881 0.9881 1.3368 1.3368 1.3735 1.3735 2.0585 2.0585 2.0917 2.0917 2.3769 2.3769 2.4078 2.4078 2.6873 2.6873 2.7500 2.7500 2.9864 2.9864 3.0088 3.0088 3.4388 3.4388 3.4851 3.4851 6.7650 6.7650 6.8486 6.8486 7.1862 7.1862 7.2154 7.2154 7.4277 7.4277 k =-0.3011 0.8000 0.3663 ( 12386 PWs) bands (ev): -7.8859 -7.8859 -7.8818 -7.8818 -7.8024 -7.8024 -7.8019 -7.8019 -7.3234 -7.3234 -7.3196 -7.3196 0.4143 0.4143 0.4507 0.4507 0.7694 0.7694 0.8065 0.8065 0.8976 0.8976 1.0024 1.0024 1.3428 1.3428 1.3811 1.3811 2.0534 2.0534 2.0851 2.0851 2.3935 2.3935 2.4368 2.4368 2.6988 2.6988 2.7334 2.7334 3.0028 3.0028 3.0056 3.0056 3.4382 3.4382 3.4817 3.4817 6.7593 6.7593 6.8417 6.8417 7.1655 7.1655 7.1911 7.1911 7.3938 7.3939 k =-0.3080 0.7778 0.3663 ( 12398 PWs) bands (ev): -7.8925 -7.8925 -7.8884 -7.8884 -7.8080 -7.8080 -7.8079 -7.8079 -7.3221 -7.3221 -7.3179 -7.3179 0.4212 0.4212 0.4637 0.4637 0.7836 0.7836 0.8113 0.8113 0.9197 0.9197 1.0187 1.0187 1.3504 1.3504 1.3905 1.3905 2.0490 2.0490 2.0774 2.0774 2.4112 2.4112 2.4646 2.4646 2.7118 2.7118 2.7192 2.7192 3.0042 3.0042 3.0208 3.0208 3.4379 3.4379 3.4783 3.4783 6.7519 6.7519 6.8329 6.8329 7.1403 7.1403 7.1618 7.1618 7.3576 7.3580 k =-0.3148 0.7555 0.3663 ( 12410 PWs) bands (ev): -7.9004 -7.9004 -7.8964 -7.8964 -7.8137 -7.8137 -7.8134 -7.8134 -7.3207 -7.3207 -7.3163 -7.3163 0.4299 0.4299 0.4781 0.4781 0.7968 0.7968 0.8114 0.8114 0.9480 0.9480 1.0367 1.0367 1.3602 1.3602 1.4017 1.4017 2.0456 2.0456 2.0696 2.0696 2.4295 2.4295 2.4903 2.4903 2.7084 2.7084 2.7260 2.7260 3.0046 3.0046 3.0399 3.0399 3.4379 3.4379 3.4752 3.4752 6.7417 6.7417 6.8212 6.8212 7.1102 7.1102 7.1268 7.1268 7.3227 7.3227 k =-0.3217 0.7332 0.3663 ( 12406 PWs) bands (ev): -7.9094 -7.9094 -7.9055 -7.9055 -7.8194 -7.8194 -7.8187 -7.8187 -7.3193 -7.3193 -7.3146 -7.3146 0.4399 0.4399 0.4934 0.4934 0.8088 0.8088 0.8095 0.8095 0.9798 0.9798 1.0565 1.0565 1.3729 1.3729 1.4150 1.4150 2.0431 2.0431 2.0621 2.0621 2.4482 2.4482 2.5128 2.5128 2.7023 2.7023 2.7410 2.7410 3.0069 3.0069 3.0597 3.0597 3.4384 3.4384 3.4724 3.4724 6.7273 6.7273 6.8046 6.8046 7.0761 7.0761 7.0864 7.0864 7.2925 7.2925 k =-0.3285 0.7109 0.3663 ( 12406 PWs) bands (ev): -7.9192 -7.9192 -7.9155 -7.9155 -7.8251 -7.8251 -7.8241 -7.8241 -7.3178 -7.3178 -7.3130 -7.3130 0.4507 0.4507 0.5089 0.5089 0.8072 0.8072 0.8192 0.8192 1.0138 1.0138 1.0780 1.0780 1.3887 1.3887 1.4305 1.4305 2.0414 2.0414 2.0555 2.0555 2.4673 2.4673 2.5308 2.5308 2.7024 2.7024 2.7562 2.7562 3.0109 3.0109 3.0799 3.0799 3.4393 3.4393 3.4701 3.4701 6.7071 6.7071 6.7808 6.7808 7.0409 7.0409 7.0432 7.0432 7.2686 7.2686 k =-0.3354 0.6886 0.3663 ( 12424 PWs) bands (ev): -7.9298 -7.9298 -7.9262 -7.9262 -7.8307 -7.8307 -7.8294 -7.8294 -7.3165 -7.3165 -7.3115 -7.3115 0.4617 0.4617 0.5232 0.5232 0.8062 0.8062 0.8284 0.8284 1.0490 1.0490 1.1012 1.1012 1.4081 1.4081 1.4482 1.4482 2.0404 2.0404 2.0500 2.0500 2.4869 2.4869 2.5435 2.5435 2.7095 2.7095 2.7712 2.7712 3.0164 3.0164 3.1000 3.1000 3.4408 3.4408 3.4684 3.4684 6.6790 6.6790 6.7476 6.7476 7.0013 7.0013 7.0089 7.0089 7.2506 7.2507 k =-0.3423 0.6664 0.3663 ( 12402 PWs) bands (ev): -7.9409 -7.9409 -7.9374 -7.9374 -7.8365 -7.8365 -7.8349 -7.8349 -7.3152 -7.3152 -7.3101 -7.3101 0.4721 0.4721 0.5350 0.5350 0.8082 0.8082 0.8368 0.8368 1.0847 1.0847 1.1261 1.1261 1.4310 1.4310 1.4681 1.4681 2.0399 2.0399 2.0461 2.0461 2.5071 2.5071 2.5513 2.5513 2.7234 2.7234 2.7855 2.7855 3.0233 3.0233 3.1197 3.1197 3.4431 3.4431 3.4677 3.4677 6.6417 6.6417 6.7042 6.7042 6.9644 6.9644 6.9832 6.9832 7.2376 7.2376 k =-0.3491 0.6441 0.3663 ( 12414 PWs) bands (ev): -7.9523 -7.9523 -7.9490 -7.9490 -7.8423 -7.8423 -7.8405 -7.8405 -7.3140 -7.3140 -7.3088 -7.3088 0.4811 0.4811 0.5428 0.5428 0.8147 0.8147 0.8451 0.8451 1.1204 1.1204 1.1524 1.1524 1.4573 1.4573 1.4899 1.4899 2.0401 2.0401 2.0441 2.0441 2.5280 2.5280 2.5555 2.5555 2.7427 2.7427 2.7987 2.7987 3.0313 3.0313 3.1386 3.1386 3.4464 3.4464 3.4681 3.4681 6.5953 6.5953 6.6520 6.6520 6.9347 6.9347 6.9647 6.9647 7.2280 7.2280 k =-0.3560 0.6218 0.3663 ( 12418 PWs) bands (ev): -7.9640 -7.9640 -7.9608 -7.9608 -7.8481 -7.8481 -7.8461 -7.8461 -7.3129 -7.3129 -7.3077 -7.3077 0.4878 0.4878 0.5454 0.5454 0.8270 0.8270 0.8545 0.8545 1.1556 1.1556 1.1800 1.1800 1.4867 1.4867 1.5135 1.5135 2.0408 2.0408 2.0443 2.0443 2.5495 2.5495 2.5577 2.5577 2.7656 2.7656 2.8104 2.8104 3.0404 3.0404 3.1562 3.1562 3.4510 3.4510 3.4698 3.4698 6.5414 6.5414 6.5936 6.5936 6.9122 6.9122 6.9524 6.9524 7.2209 7.2209 k =-0.3628 0.5995 0.3663 ( 12422 PWs) bands (ev): -7.9758 -7.9758 -7.9727 -7.9727 -7.8540 -7.8540 -7.8518 -7.8518 -7.3119 -7.3119 -7.3067 -7.3067 0.4913 0.4913 0.5423 0.5423 0.8456 0.8456 0.8658 0.8658 1.1896 1.1896 1.2085 1.2085 1.5190 1.5190 1.5386 1.5386 2.0422 2.0422 2.0472 2.0472 2.5591 2.5591 2.5715 2.5715 2.7907 2.7907 2.8204 2.8204 3.0503 3.0503 3.1722 3.1722 3.4572 3.4572 3.4730 3.4730 6.4825 6.4825 6.5317 6.5317 6.8955 6.8955 6.9448 6.9448 7.2153 7.2153 k =-0.3697 0.5772 0.3663 ( 12418 PWs) bands (ev): -7.9877 -7.9877 -7.9847 -7.9847 -7.8599 -7.8599 -7.8576 -7.8576 -7.3111 -7.3111 -7.3059 -7.3059 0.4913 0.4913 0.5342 0.5342 0.8700 0.8700 0.8798 0.8798 1.2219 1.2219 1.2376 1.2376 1.5536 1.5536 1.5653 1.5653 2.0444 2.0444 2.0531 2.0531 2.5604 2.5604 2.5938 2.5938 2.8170 2.8170 2.8283 2.8283 3.0611 3.0611 3.1861 3.1861 3.4652 3.4652 3.4778 3.4778 6.4208 6.4208 6.4684 6.4684 6.8833 6.8833 6.9409 6.9409 7.2103 7.2103 k =-0.3766 0.5550 0.3663 ( 12426 PWs) bands (ev): -7.9994 -7.9994 -7.9966 -7.9966 -7.8657 -7.8657 -7.8634 -7.8634 -7.3104 -7.3104 -7.3053 -7.3053 0.4874 0.4874 0.5219 0.5219 0.8969 0.8969 0.8992 0.8992 1.2521 1.2521 1.2669 1.2669 1.5903 1.5903 1.5932 1.5932 2.0476 2.0476 2.0623 2.0623 2.5620 2.5620 2.6162 2.6162 2.8342 2.8342 2.8438 2.8438 3.0725 3.0725 3.1977 3.1977 3.4753 3.4753 3.4843 3.4843 6.3581 6.3581 6.4051 6.4051 6.8744 6.8744 6.9397 6.9397 7.2054 7.2054 k =-0.3834 0.5327 0.3663 ( 12406 PWs) bands (ev): -8.0110 -8.0110 -8.0083 -8.0083 -7.8715 -7.8715 -7.8692 -7.8692 -7.3098 -7.3098 -7.3048 -7.3048 0.4800 0.4800 0.5065 0.5065 0.9169 0.9169 0.9321 0.9321 1.2797 1.2797 1.2961 1.2961 1.6224 1.6224 1.6286 1.6286 2.0519 2.0519 2.0747 2.0747 2.5640 2.5640 2.6383 2.6383 2.8379 2.8379 2.8707 2.8707 3.0845 3.0845 3.2067 3.2067 3.4875 3.4875 3.4926 3.4926 6.2959 6.2959 6.3428 6.3428 6.8677 6.8677 6.9407 6.9407 7.2000 7.2000 k =-0.3903 0.5104 0.3663 ( 12400 PWs) bands (ev): -8.0224 -8.0224 -8.0198 -8.0198 -7.8772 -7.8772 -7.8749 -7.8749 -7.3093 -7.3093 -7.3045 -7.3045 0.4694 0.4694 0.4889 0.4889 0.9396 0.9396 0.9673 0.9673 1.3046 1.3046 1.3249 1.3249 1.6527 1.6527 1.6682 1.6682 2.0572 2.0572 2.0904 2.0904 2.5665 2.5665 2.6597 2.6597 2.8396 2.8396 2.8973 2.8973 3.0970 3.0970 3.2130 3.2130 3.5018 3.5018 3.5026 3.5026 6.2349 6.2349 6.2820 6.2820 6.8627 6.8627 6.9432 6.9432 7.1937 7.1937 k =-0.3971 0.4881 0.3663 ( 12396 PWs) bands (ev): -8.0334 -8.0334 -8.0309 -8.0309 -7.8828 -7.8828 -7.8805 -7.8805 -7.3090 -7.3090 -7.3043 -7.3043 0.4564 0.4564 0.4701 0.4701 0.9641 0.9641 1.0039 1.0039 1.3268 1.3268 1.3532 1.3532 1.6842 1.6842 1.7089 1.7089 2.0636 2.0636 2.1089 2.1089 2.5693 2.5693 2.6798 2.6798 2.8399 2.8399 2.9235 2.9235 3.1099 3.1099 3.2167 3.2167 3.5143 3.5143 3.5180 3.5180 6.1758 6.1758 6.2231 6.2231 6.8587 6.8587 6.9466 6.9466 7.1862 7.1862 k =-0.4040 0.4658 0.3663 ( 12394 PWs) bands (ev): -8.0440 -8.0440 -8.0417 -8.0417 -7.8882 -7.8882 -7.8859 -7.8859 -7.3088 -7.3088 -7.3043 -7.3043 0.4416 0.4416 0.4506 0.4506 0.9897 0.9897 1.0407 1.0407 1.3469 1.3469 1.3810 1.3810 1.7165 1.7165 1.7501 1.7501 2.0710 2.0710 2.1298 2.1298 2.5725 2.5725 2.6980 2.6980 2.8394 2.8394 2.9491 2.9491 3.1231 3.1231 3.2180 3.2180 3.5275 3.5275 3.5358 3.5358 6.1190 6.1190 6.1666 6.1666 6.8550 6.8550 6.9501 6.9501 7.1776 7.1776 k =-0.4108 0.4435 0.3663 ( 12414 PWs) bands (ev): -8.0542 -8.0542 -8.0520 -8.0520 -7.8934 -7.8934 -7.8911 -7.8911 -7.3087 -7.3087 -7.3044 -7.3044 0.4256 0.4256 0.4309 0.4309 1.0155 1.0155 1.0763 1.0763 1.3658 1.3658 1.4084 1.4084 1.7493 1.7493 1.7915 1.7915 2.0792 2.0792 2.1523 2.1523 2.5757 2.5757 2.7131 2.7131 2.8392 2.8392 2.9740 2.9740 3.1362 3.1362 3.2169 3.2169 3.5421 3.5421 3.5546 3.5546 6.0649 6.0649 6.1125 6.1125 6.8514 6.8514 6.9525 6.9525 7.1684 7.1684 k =-0.4177 0.4213 0.3663 ( 12394 PWs) bands (ev): -8.0639 -8.0639 -8.0618 -8.0618 -7.8983 -7.8983 -7.8962 -7.8962 -7.3087 -7.3087 -7.3046 -7.3046 0.4090 0.4090 0.4115 0.4115 1.0408 1.0408 1.1096 1.1096 1.3846 1.3846 1.4356 1.4356 1.7822 1.7822 1.8323 1.8323 2.0884 2.0884 2.1757 2.1757 2.5789 2.5789 2.7240 2.7240 2.8410 2.8410 2.9982 2.9982 3.1492 3.1492 3.2138 3.2138 3.5578 3.5578 3.5741 3.5741 6.0138 6.0138 6.0610 6.0610 6.8471 6.8471 6.9522 6.9522 7.1598 7.1598 k =-0.4246 0.3990 0.3663 ( 12390 PWs) bands (ev): -8.0729 -8.0729 -8.0711 -8.0711 -7.9030 -7.9030 -7.9010 -7.9010 -7.3087 -7.3087 -7.3049 -7.3049 0.3922 0.3922 0.3928 0.3928 1.0648 1.0648 1.1390 1.1390 1.4047 1.4047 1.4629 1.4629 1.8146 1.8146 1.8715 1.8715 2.0987 2.0987 2.1993 2.1993 2.5818 2.5818 2.7294 2.7294 2.8463 2.8463 3.0217 3.0217 3.1617 3.1617 3.2090 3.2090 3.5744 3.5744 3.5937 3.5937 5.9658 5.9658 6.0123 6.0123 6.8419 6.8419 6.9477 6.9477 7.1534 7.1534 k =-0.4314 0.3767 0.3663 ( 12410 PWs) bands (ev): -8.0814 -8.0814 -8.0797 -8.0797 -7.9074 -7.9074 -7.9054 -7.9054 -7.3088 -7.3088 -7.3053 -7.3053 0.3748 0.3748 0.3757 0.3757 1.0870 1.0870 1.1635 1.1635 1.4274 1.4274 1.4906 1.4906 1.8457 1.8457 1.9079 1.9079 2.1107 2.1107 2.2223 2.2223 2.5843 2.5843 2.7291 2.7291 2.8557 2.8557 3.0444 3.0444 3.1734 3.1734 3.2025 3.2025 3.5915 3.5915 3.6129 3.6129 5.9211 5.9211 5.9664 5.9664 6.8354 6.8354 6.9379 6.9379 7.1507 7.1507 k =-0.4383 0.3544 0.3663 ( 12402 PWs) bands (ev): -8.0892 -8.0892 -8.0876 -8.0876 -7.9114 -7.9114 -7.9096 -7.9096 -7.3089 -7.3089 -7.3057 -7.3057 0.3581 0.3581 0.3599 0.3599 1.1070 1.1070 1.1825 1.1825 1.4532 1.4532 1.5186 1.5186 1.8749 1.8749 1.9396 1.9396 2.1255 2.1255 2.2439 2.2439 2.5863 2.5863 2.7239 2.7239 2.8688 2.8688 3.0660 3.0660 3.1841 3.1841 3.1946 3.1946 3.6088 3.6088 3.6313 3.6313 5.8800 5.8800 5.9235 5.9235 6.8277 6.8277 6.9228 6.9228 7.1524 7.1524 k =-0.4451 0.3321 0.3663 ( 12418 PWs) bands (ev): -8.0963 -8.0963 -8.0949 -8.0949 -7.9150 -7.9150 -7.9134 -7.9134 -7.3090 -7.3090 -7.3061 -7.3061 0.3426 0.3426 0.3451 0.3451 1.1246 1.1246 1.1960 1.1960 1.4821 1.4821 1.5468 1.5468 1.9017 1.9017 1.9648 1.9648 2.1441 2.1441 2.2636 2.2636 2.5878 2.5878 2.7152 2.7152 2.8848 2.8848 3.0865 3.0865 3.1856 3.1856 3.1936 3.1936 3.6261 3.6261 3.6486 3.6486 5.8427 5.8427 5.8838 5.8838 6.8187 6.8187 6.9036 6.9036 7.1580 7.1580 k =-0.4520 0.3099 0.3663 ( 12408 PWs) bands (ev): -8.1026 -8.1026 -8.1014 -8.1014 -7.9183 -7.9183 -7.9169 -7.9169 -7.3091 -7.3091 -7.3066 -7.3066 0.3286 0.3286 0.3314 0.3314 1.1398 1.1398 1.2047 1.2047 1.5131 1.5131 1.5747 1.5747 1.9252 1.9252 1.9826 1.9826 2.1670 2.1670 2.2810 2.2810 2.5887 2.5887 2.7041 2.7041 2.9028 2.9028 3.1051 3.1051 3.1759 3.1759 3.2016 3.2016 3.6429 3.6429 3.6644 3.6644 5.8094 5.8094 5.8474 5.8474 6.8091 6.8091 6.8821 6.8821 7.1663 7.1663 k =-0.4589 0.2876 0.3663 ( 12424 PWs) bands (ev): -8.1081 -8.1081 -8.1071 -8.1071 -7.9212 -7.9212 -7.9199 -7.9199 -7.3093 -7.3093 -7.3070 -7.3070 0.3163 0.3163 0.3190 0.3190 1.1529 1.1529 1.2096 1.2096 1.5451 1.5451 1.6018 1.6018 1.9451 1.9451 1.9931 1.9931 2.1932 2.1932 2.2959 2.2959 2.5892 2.5892 2.6915 2.6915 2.9224 2.9224 3.1204 3.1204 3.1667 3.1667 3.2080 3.2080 3.6587 3.6587 3.6785 3.6785 5.7803 5.7803 5.8145 5.8145 6.7993 6.7993 6.8602 6.8602 7.1759 7.1759 k =-0.4657 0.2653 0.3663 ( 12414 PWs) bands (ev): -8.1128 -8.1128 -8.1120 -8.1120 -7.9236 -7.9236 -7.9225 -7.9225 -7.3094 -7.3094 -7.3075 -7.3075 0.3058 0.3058 0.3083 0.3083 1.1639 1.1639 1.2117 1.2117 1.5766 1.5766 1.6269 1.6269 1.9611 1.9611 1.9980 1.9980 2.2210 2.2210 2.3080 2.3080 2.5898 2.5898 2.6779 2.6779 2.9431 2.9431 3.1275 3.1275 3.1629 3.1629 3.2125 3.2125 3.6733 3.6733 3.6905 3.6905 5.7558 5.7558 5.7855 5.7855 6.7901 6.7901 6.8392 6.8392 7.1857 7.1857 k =-0.4726 0.2430 0.3663 ( 12406 PWs) bands (ev): -8.1167 -8.1167 -8.1160 -8.1160 -7.9256 -7.9256 -7.9247 -7.9247 -7.3094 -7.3094 -7.3079 -7.3079 0.2971 0.2971 0.2993 0.2993 1.1733 1.1733 1.2116 1.2116 1.6064 1.6064 1.6491 1.6491 1.9729 1.9729 1.9989 1.9989 2.2481 2.2481 2.3173 2.3173 2.5909 2.5909 2.6638 2.6638 2.9647 2.9647 3.1213 3.1213 3.1692 3.1692 3.2152 3.2152 3.6862 3.6862 3.7004 3.7004 5.7359 5.7359 5.7606 5.7606 6.7821 6.7821 6.8202 6.8202 7.1950 7.1952 k =-0.4794 0.2207 0.3663 ( 12402 PWs) bands (ev): -8.1197 -8.1197 -8.1192 -8.1192 -7.9271 -7.9271 -7.9265 -7.9265 -7.3094 -7.3094 -7.3083 -7.3083 0.2903 0.2903 0.2921 0.2921 1.1812 1.1812 1.2099 1.2099 1.6331 1.6331 1.6668 1.6668 1.9811 1.9811 1.9976 1.9976 2.2727 2.2727 2.3236 2.3236 2.5932 2.5932 2.6497 2.6497 2.9868 2.9868 3.1077 3.1077 3.1798 3.1798 3.2159 3.2159 3.6970 3.6970 3.7079 3.7079 5.7210 5.7210 5.7401 5.7401 6.7761 6.7761 6.8039 6.8039 7.2032 7.2035 k =-0.4863 0.1985 0.3663 ( 12398 PWs) bands (ev): -8.1219 -8.1219 -8.1215 -8.1215 -7.9282 -7.9282 -7.9278 -7.9278 -7.3094 -7.3094 -7.3086 -7.3086 0.2855 0.2855 0.2867 0.2867 1.1881 1.1881 1.2072 1.2072 1.6553 1.6553 1.6789 1.6789 1.9861 1.9861 1.9953 1.9953 2.2935 2.2935 2.3265 2.3265 2.5972 2.5972 2.6359 2.6359 3.0090 3.0090 3.0909 3.0909 3.1901 3.1901 3.2146 3.2146 3.7055 3.7055 3.7128 3.7128 5.7112 5.7112 5.7242 5.7242 6.7726 6.7726 6.7907 6.7907 7.2098 7.2105 k =-0.4931 0.1762 0.3663 ( 12408 PWs) bands (ev): -8.1231 -8.1231 -8.1230 -8.1230 -7.9288 -7.9288 -7.9286 -7.9286 -7.3093 -7.3093 -7.3089 -7.3089 0.2828 0.2828 0.2834 0.2834 1.1940 1.1940 1.2035 1.2035 1.6719 1.6719 1.6840 1.6840 1.9891 1.9891 1.9930 1.9930 2.3093 2.3093 2.3255 2.3255 2.6036 2.6036 2.6233 2.6233 3.0308 3.0308 3.0721 3.0721 3.1990 3.1990 3.2113 3.2113 3.7114 3.7114 3.7151 3.7151 5.7067 5.7067 5.7133 5.7133 6.7721 6.7721 6.7810 6.7810 7.2152 7.2168 k =-0.5000 0.1539 0.3663 ( 12392 PWs) bands (ev): -8.1235 -8.1235 -8.1235 -8.1235 -7.9289 -7.9289 -7.9289 -7.9289 -7.3091 -7.3091 -7.3091 -7.3091 0.2821 0.2821 0.2821 0.2821 1.1991 1.1991 1.1991 1.1991 1.6817 1.6817 1.6817 1.6817 1.9911 1.9911 1.9911 1.9911 2.3200 2.3200 2.3200 2.3200 2.6123 2.6123 2.6123 2.6123 3.0520 3.0520 3.0520 3.0520 3.2061 3.2061 3.2061 3.2061 3.7147 3.7147 3.7147 3.7147 5.7074 5.7074 5.7074 5.7074 6.7748 6.7748 6.7748 6.7748 7.2177 7.2177 k =-0.5000 0.1539 0.3663 ( 12392 PWs) bands (ev): -8.1235 -8.1235 -8.1235 -8.1235 -7.9289 -7.9289 -7.9289 -7.9289 -7.3091 -7.3091 -7.3091 -7.3091 0.2821 0.2821 0.2821 0.2821 1.1991 1.1991 1.1991 1.1991 1.6817 1.6817 1.6817 1.6817 1.9911 1.9911 1.9911 1.9911 2.3200 2.3200 2.3200 2.3200 2.6123 2.6123 2.6123 2.6123 3.0520 3.0520 3.0520 3.0520 3.2061 3.2061 3.2061 3.2061 3.7147 3.7147 3.7147 3.7147 5.7074 5.7074 5.7074 5.7074 6.7748 6.7748 6.7748 6.7748 7.2177 7.2177 k =-0.5000 0.1539 0.3434 ( 12392 PWs) bands (ev): -8.1383 -8.1383 -8.1085 -8.1085 -7.9400 -7.9400 -7.9174 -7.9174 -7.3141 -7.3141 -7.3048 -7.3048 0.2674 0.2674 0.2994 0.2994 1.1770 1.1770 1.2187 1.2187 1.6716 1.6716 1.6901 1.6901 1.9860 1.9860 1.9955 1.9955 2.3147 2.3147 2.3259 2.3259 2.6032 2.6032 2.6189 2.6189 3.0455 3.0455 3.0579 3.0579 3.1912 3.1912 3.2248 3.2248 3.7070 3.7070 3.7259 3.7259 5.6908 5.6908 5.7217 5.7217 6.7598 6.7598 6.7879 6.7879 7.1808 7.1808 k =-0.5000 0.1539 0.3205 ( 12404 PWs) bands (ev): -8.1526 -8.1526 -8.0934 -8.0934 -7.9506 -7.9506 -7.9056 -7.9056 -7.3198 -7.3198 -7.3011 -7.3011 0.2556 0.2556 0.3194 0.3194 1.1532 1.1532 1.2351 1.2351 1.6610 1.6610 1.6954 1.6954 1.9800 1.9800 1.9996 1.9996 2.3106 2.3106 2.3320 2.3320 2.5914 2.5914 2.6234 2.6234 3.0389 3.0389 3.0628 3.0628 3.1802 3.1802 3.2464 3.2464 3.7035 3.7035 3.7405 3.7405 5.6721 5.6721 5.7337 5.7337 6.7424 6.7424 6.7995 6.7995 7.1452 7.1452 k =-0.5000 0.1539 0.2976 ( 12408 PWs) bands (ev): -8.1665 -8.1665 -8.0785 -8.0785 -7.9605 -7.9605 -7.8935 -7.8935 -7.3261 -7.3261 -7.2982 -7.2982 0.2464 0.2464 0.3418 0.3418 1.1282 1.1282 1.2475 1.2475 1.6509 1.6509 1.6967 1.6967 1.9730 1.9730 2.0041 2.0041 2.3081 2.3081 2.3376 2.3376 2.5770 2.5770 2.6265 2.6265 3.0328 3.0328 3.0667 3.0667 3.1727 3.1727 3.2697 3.2697 3.7043 3.7043 3.7579 3.7579 5.6516 5.6516 5.7436 5.7436 6.7221 6.7221 6.8101 6.8101 7.1115 7.1115 k =-0.5000 0.1539 0.2747 ( 12398 PWs) bands (ev): -8.1798 -8.1798 -8.0638 -8.0638 -7.9697 -7.9697 -7.8814 -7.8814 -7.3329 -7.3329 -7.2960 -7.2960 0.2399 0.2399 0.3665 0.3665 1.1025 1.1025 1.2551 1.2551 1.6420 1.6420 1.6937 1.6937 1.9649 1.9649 2.0095 2.0095 2.3074 2.3074 2.3424 2.3424 2.5604 2.5604 2.6288 2.6288 3.0276 3.0276 3.0696 3.0696 3.1681 3.1681 3.2935 3.2935 3.7097 3.7097 3.7777 3.7777 5.6295 5.6295 5.7515 5.7515 6.6989 6.6989 6.8199 6.8199 7.0803 7.0803 k =-0.5000 0.1539 0.2518 ( 12400 PWs) bands (ev): -8.1924 -8.1924 -8.0498 -8.0498 -7.9779 -7.9779 -7.8691 -7.8691 -7.3401 -7.3401 -7.2943 -7.2943 0.2360 0.2360 0.3933 0.3933 1.0767 1.0767 1.2577 1.2577 1.6333 1.6333 1.6879 1.6879 1.9557 1.9557 2.0164 2.0164 2.3086 2.3086 2.3462 2.3462 2.5422 2.5422 2.6310 2.6310 3.0235 3.0235 3.0716 3.0716 3.1654 3.1654 3.3162 3.3162 3.7199 3.7199 3.7995 3.7995 5.6062 5.6062 5.7575 5.7575 6.6729 6.6729 6.8288 6.8288 7.0519 7.0519 k =-0.5000 0.1539 0.2289 ( 12402 PWs) bands (ev): -8.2042 -8.2042 -8.0369 -8.0369 -7.9849 -7.9849 -7.8571 -7.8571 -7.3476 -7.3476 -7.2933 -7.2933 0.2346 0.2346 0.4218 0.4218 1.0512 1.0512 1.2550 1.2550 1.6222 1.6222 1.6824 1.6824 1.9453 1.9453 2.0246 2.0246 2.3115 2.3115 2.3490 2.3490 2.5232 2.5232 2.6335 2.6335 3.0206 3.0206 3.0728 3.0728 3.1640 3.1640 3.3369 3.3369 3.7345 3.7345 3.8227 3.8227 5.5822 5.5822 5.7619 5.7619 6.6446 6.6446 6.8369 6.8369 7.0267 7.0267 k =-0.5000 0.1539 0.2060 ( 12426 PWs) bands (ev): -8.2151 -8.2151 -8.0263 -8.0263 -7.9895 -7.9895 -7.8452 -7.8452 -7.3553 -7.3553 -7.2928 -7.2928 0.2353 0.2353 0.4515 0.4515 1.0267 1.0267 1.2476 1.2476 1.6057 1.6057 1.6813 1.6813 1.9339 1.9339 2.0339 2.0339 2.3159 2.3159 2.3510 2.3510 2.5041 2.5041 2.6364 2.6364 3.0188 3.0188 3.0733 3.0733 3.1631 3.1631 3.3551 3.3551 3.7529 3.7529 3.8466 3.8466 5.5580 5.5580 5.7650 5.7650 6.6148 6.6148 6.8437 6.8437 7.0052 7.0052 k =-0.5000 0.1539 0.1831 ( 12416 PWs) bands (ev): -8.2250 -8.2250 -8.0201 -8.0201 -7.9897 -7.9897 -7.8338 -7.8338 -7.3630 -7.3630 -7.2928 -7.2928 0.2379 0.2379 0.4819 0.4819 1.0036 1.0036 1.2361 1.2361 1.5833 1.5833 1.6858 1.6858 1.9216 1.9216 2.0439 2.0439 2.3215 2.3215 2.3524 2.3524 2.4855 2.4855 2.6396 2.6396 3.0180 3.0180 3.0733 3.0733 3.1625 3.1625 3.3704 3.3704 3.7743 3.7743 3.8706 3.8706 5.5342 5.5342 5.7671 5.7671 6.5845 6.5845 6.8489 6.8489 6.9879 6.9879 k =-0.5000 0.1539 0.1602 ( 12420 PWs) bands (ev): -8.2340 -8.2340 -8.0196 -8.0196 -7.9845 -7.9845 -7.8231 -7.8231 -7.3705 -7.3705 -7.2931 -7.2931 0.2421 0.2421 0.5123 0.5123 0.9828 0.9828 1.2212 1.2212 1.5569 1.5569 1.6945 1.6945 1.9085 1.9085 2.0538 2.0538 2.3277 2.3277 2.3536 2.3536 2.4679 2.4679 2.6428 2.6428 3.0181 3.0181 3.0728 3.0728 3.1616 3.1616 3.3830 3.3830 3.7972 3.7972 3.8940 3.8940 5.5113 5.5113 5.7684 5.7684 6.5547 6.5547 6.8518 6.8518 6.9751 6.9751 k =-0.5000 0.1539 0.1373 ( 12404 PWs) bands (ev): -8.2418 -8.2418 -8.0221 -8.0221 -7.9767 -7.9767 -7.8131 -7.8131 -7.3777 -7.3777 -7.2936 -7.2936 0.2475 0.2475 0.5416 0.5416 0.9651 0.9651 1.2038 1.2038 1.5291 1.5291 1.7062 1.7062 1.8949 1.8949 2.0632 2.0632 2.3340 2.3340 2.3548 2.3548 2.4519 2.4519 2.6460 2.6460 3.0189 3.0189 3.0721 3.0721 3.1605 3.1605 3.3932 3.3932 3.8205 3.8205 3.9161 3.9161 5.4898 5.4898 5.7692 5.7692 6.5265 6.5265 6.8523 6.8523 6.9669 6.9669 k =-0.5000 0.1539 0.1145 ( 12392 PWs) bands (ev): -8.2486 -8.2486 -8.0253 -8.0253 -7.9686 -7.9686 -7.8041 -7.8041 -7.3843 -7.3843 -7.2943 -7.2943 0.2536 0.2536 0.5687 0.5687 0.9514 0.9514 1.1846 1.1846 1.5018 1.5018 1.7197 1.7197 1.8808 1.8808 2.0716 2.0716 2.3400 2.3400 2.3565 2.3565 2.4377 2.4377 2.6488 2.6488 3.0203 3.0203 3.0711 3.0711 3.1591 3.1591 3.4013 3.4013 3.8427 3.8427 3.9361 3.9361 5.4705 5.4705 5.7695 5.7695 6.5008 6.5008 6.8508 6.8508 6.9628 6.9628 k =-0.5000 0.1539 0.0916 ( 12396 PWs) bands (ev): -8.2541 -8.2541 -8.0284 -8.0284 -7.9614 -7.9614 -7.7964 -7.7964 -7.3901 -7.3901 -7.2950 -7.2950 0.2597 0.2597 0.5924 0.5924 0.9425 0.9425 1.1646 1.1646 1.4769 1.4769 1.7341 1.7341 1.8665 1.8665 2.0789 2.0789 2.3447 2.3447 2.3590 2.3590 2.4256 2.4256 2.6511 2.6511 3.0221 3.0221 3.0700 3.0700 3.1575 3.1575 3.4075 3.4075 3.8628 3.8628 3.9535 3.9535 5.4538 5.4538 5.7696 5.7696 6.4785 6.4785 6.8480 6.8480 6.9617 6.9617 k =-0.5000 0.1539 0.0687 ( 12378 PWs) bands (ev): -8.2585 -8.2585 -8.0310 -8.0310 -7.9554 -7.9554 -7.7901 -7.7901 -7.3949 -7.3949 -7.2957 -7.2957 0.2654 0.2654 0.6114 0.6114 0.9387 0.9387 1.1448 1.1448 1.4559 1.4559 1.7488 1.7488 1.8522 1.8522 2.0847 2.0847 2.3479 2.3479 2.3623 2.3623 2.4158 2.4158 2.6529 2.6529 3.0240 3.0240 3.0689 3.0689 3.1559 3.1559 3.4122 3.4122 3.8795 3.8795 3.9676 3.9676 5.4402 5.4402 5.7695 5.7695 6.4604 6.4604 6.8448 6.8448 6.9624 6.9624 k =-0.5000 0.1539 0.0458 ( 12380 PWs) bands (ev): -8.2616 -8.2616 -8.0329 -8.0329 -7.9510 -7.9510 -7.7854 -7.7854 -7.3985 -7.3985 -7.2962 -7.2962 0.2699 0.2699 0.6250 0.6250 0.9391 0.9391 1.1272 1.1272 1.4402 1.4402 1.7631 1.7631 1.8383 1.8383 2.0889 2.0889 2.3499 2.3499 2.3655 2.3655 2.4084 2.4084 2.6541 2.6541 3.0257 3.0257 3.0680 3.0680 3.1546 3.1546 3.4154 3.4154 3.8921 3.8921 3.9781 3.9781 5.4301 5.4301 5.7694 5.7694 6.4471 6.4471 6.8421 6.8421 6.9637 6.9637 k =-0.5000 0.1539 0.0229 ( 12366 PWs) bands (ev): -8.2635 -8.2635 -8.0340 -8.0340 -7.9483 -7.9483 -7.7825 -7.7825 -7.4008 -7.4008 -7.2966 -7.2966 0.2729 0.2729 0.6330 0.6330 0.9415 0.9415 1.1145 1.1145 1.4304 1.4304 1.7754 1.7754 1.8264 1.8264 2.0914 2.0914 2.3510 2.3510 2.3680 2.3680 2.4037 2.4037 2.6548 2.6548 3.0268 3.0268 3.0673 3.0673 3.1537 3.1537 3.4172 3.4172 3.9000 3.9000 3.9844 3.9844 5.4239 5.4239 5.7693 5.7693 6.4389 6.4389 6.8403 6.8403 6.9647 6.9647 k =-0.5000 0.1539 0.0000 ( 12368 PWs) bands (ev): -8.2641 -8.2641 -8.0344 -8.0344 -7.9474 -7.9474 -7.7816 -7.7816 -7.4015 -7.4015 -7.2967 -7.2967 0.2739 0.2739 0.6356 0.6356 0.9427 0.9427 1.1098 1.1098 1.4271 1.4271 1.7811 1.7811 1.8208 1.8208 2.0923 2.0923 2.3513 2.3513 2.3689 2.3689 2.4021 2.4021 2.6551 2.6551 3.0273 3.0273 3.0671 3.0671 3.1534 3.1534 3.4179 3.4179 3.9026 3.9026 3.9866 3.9866 5.4218 5.4218 5.7693 5.7693 6.4361 6.4361 6.8397 6.8397 6.9651 6.9651 k = 0.0000 0.0000 0.3663 ( 12418 PWs) bands (ev): -8.2904 -8.2904 -8.2904 -8.2904 -7.7253 -7.7253 -7.7253 -7.7253 -7.3263 -7.3263 -7.3263 -7.3263 0.3438 0.3438 0.3438 0.3438 0.7352 0.7352 0.7352 0.7352 1.8162 1.8162 1.8162 1.8162 2.0012 2.0012 2.0012 2.0012 2.3796 2.3796 2.3796 2.3796 2.5145 2.5145 2.5145 2.5145 2.9316 2.9316 2.9316 2.9316 3.6288 3.6288 3.6288 3.6288 3.8801 3.8801 3.8801 3.8801 6.0629 6.0629 6.0629 6.0629 6.4192 6.4192 6.4192 6.4192 7.2232 7.2232 k =-0.0217 0.0067 0.3663 ( 12428 PWs) bands (ev): -8.2899 -8.2899 -8.2899 -8.2899 -7.7260 -7.7260 -7.7260 -7.7260 -7.3262 -7.3262 -7.3262 -7.3262 0.3446 0.3446 0.3446 0.3446 0.7348 0.7348 0.7348 0.7348 1.8168 1.8168 1.8168 1.8168 2.0023 2.0023 2.0023 2.0023 2.3786 2.3786 2.3786 2.3786 2.5165 2.5165 2.5165 2.5165 2.9302 2.9302 2.9302 2.9302 3.6255 3.6255 3.6255 3.6255 3.8808 3.8808 3.8808 3.8808 6.0608 6.0608 6.0608 6.0608 6.4210 6.4210 6.4210 6.4210 7.2230 7.2230 k =-0.0435 0.0134 0.3663 ( 12418 PWs) bands (ev): -8.2884 -8.2884 -8.2884 -8.2884 -7.7281 -7.7281 -7.7281 -7.7281 -7.3260 -7.3260 -7.3260 -7.3260 0.3469 0.3469 0.3469 0.3469 0.7337 0.7337 0.7337 0.7337 1.8185 1.8185 1.8185 1.8185 2.0055 2.0055 2.0055 2.0055 2.3757 2.3757 2.3757 2.3757 2.5224 2.5224 2.5224 2.5224 2.9259 2.9259 2.9259 2.9259 3.6160 3.6160 3.6160 3.6160 3.8828 3.8828 3.8828 3.8828 6.0543 6.0543 6.0543 6.0543 6.4262 6.4262 6.4262 6.4262 7.2223 7.2223 k =-0.0652 0.0201 0.3663 ( 12414 PWs) bands (ev): -8.2859 -8.2859 -8.2859 -8.2859 -7.7315 -7.7315 -7.7315 -7.7315 -7.3255 -7.3255 -7.3255 -7.3255 0.3504 0.3504 0.3504 0.3504 0.7322 0.7322 0.7322 0.7322 1.8210 1.8210 1.8210 1.8210 2.0108 2.0108 2.0108 2.0108 2.3714 2.3714 2.3714 2.3714 2.5317 2.5317 2.5317 2.5317 2.9189 2.9189 2.9189 2.9189 3.6010 3.6010 3.6010 3.6010 3.8854 3.8854 3.8854 3.8854 6.0439 6.0439 6.0439 6.0439 6.4345 6.4345 6.4345 6.4345 7.2213 7.2213 k =-0.0870 0.0268 0.3663 ( 12420 PWs) bands (ev): -8.2824 -8.2824 -8.2824 -8.2824 -7.7363 -7.7363 -7.7363 -7.7363 -7.3249 -7.3249 -7.3249 -7.3249 0.3548 0.3548 0.3548 0.3548 0.7311 0.7311 0.7311 0.7311 1.8239 1.8239 1.8239 1.8239 2.0183 2.0183 2.0183 2.0183 2.3660 2.3660 2.3660 2.3660 2.5439 2.5439 2.5439 2.5439 2.9093 2.9093 2.9093 2.9093 3.5815 3.5815 3.5815 3.5815 3.8878 3.8878 3.8878 3.8878 6.0301 6.0301 6.0301 6.0301 6.4457 6.4457 6.4457 6.4457 7.2200 7.2200 k =-0.1087 0.0335 0.3663 ( 12428 PWs) bands (ev): -8.2779 -8.2779 -8.2779 -8.2779 -7.7423 -7.7423 -7.7423 -7.7423 -7.3241 -7.3241 -7.3241 -7.3241 0.3594 0.3594 0.3594 0.3594 0.7310 0.7310 0.7310 0.7310 1.8268 1.8268 1.8268 1.8268 2.0278 2.0278 2.0278 2.0278 2.3599 2.3599 2.3599 2.3599 2.5582 2.5582 2.5582 2.5582 2.8976 2.8976 2.8976 2.8976 3.5586 3.5586 3.5586 3.5586 3.8895 3.8895 3.8895 3.8895 6.0134 6.0134 6.0134 6.0134 6.4594 6.4594 6.4594 6.4594 7.2185 7.2185 k =-0.1304 0.0401 0.3663 ( 12422 PWs) bands (ev): -8.2725 -8.2725 -8.2725 -8.2725 -7.7495 -7.7495 -7.7495 -7.7495 -7.3232 -7.3232 -7.3232 -7.3232 0.3638 0.3638 0.3638 0.3638 0.7331 0.7331 0.7331 0.7331 1.8293 1.8293 1.8293 1.8293 2.0391 2.0391 2.0391 2.0391 2.3534 2.3534 2.3534 2.3534 2.5741 2.5741 2.5741 2.5741 2.8844 2.8844 2.8844 2.8844 3.5331 3.5331 3.5331 3.5331 3.8898 3.8898 3.8898 3.8898 5.9943 5.9943 5.9943 5.9943 6.4753 6.4753 6.4753 6.4753 7.2169 7.2169 k =-0.1522 0.0468 0.3663 ( 12422 PWs) bands (ev): -8.2661 -8.2661 -8.2661 -8.2661 -7.7579 -7.7579 -7.7579 -7.7579 -7.3222 -7.3222 -7.3222 -7.3222 0.3670 0.3670 0.3670 0.3670 0.7383 0.7383 0.7383 0.7383 1.8310 1.8310 1.8310 1.8310 2.0516 2.0516 2.0516 2.0516 2.3467 2.3467 2.3467 2.3467 2.5907 2.5907 2.5907 2.5907 2.8704 2.8704 2.8704 2.8704 3.5059 3.5059 3.5059 3.5059 3.8883 3.8883 3.8883 3.8883 5.9734 5.9734 5.9734 5.9734 6.4930 6.4930 6.4930 6.4930 7.2152 7.2152 k =-0.1739 0.0535 0.3663 ( 12418 PWs) bands (ev): -8.2589 -8.2589 -8.2589 -8.2589 -7.7673 -7.7673 -7.7673 -7.7673 -7.3212 -7.3212 -7.3212 -7.3212 0.3685 0.3685 0.3685 0.3685 0.7476 0.7476 0.7476 0.7476 1.8317 1.8317 1.8317 1.8317 2.0647 2.0647 2.0647 2.0647 2.3400 2.3400 2.3400 2.3400 2.6069 2.6069 2.6069 2.6069 2.8570 2.8570 2.8570 2.8570 3.4778 3.4778 3.4778 3.4778 3.8849 3.8849 3.8849 3.8849 5.9511 5.9511 5.9511 5.9511 6.5122 6.5122 6.5122 6.5122 7.2137 7.2137 k =-0.1957 0.0602 0.3663 ( 12420 PWs) bands (ev): -8.2509 -8.2509 -8.2509 -8.2509 -7.7778 -7.7778 -7.7778 -7.7778 -7.3200 -7.3200 -7.3200 -7.3200 0.3678 0.3678 0.3678 0.3678 0.7617 0.7617 0.7617 0.7617 1.8313 1.8313 1.8313 1.8313 2.0773 2.0773 2.0773 2.0773 2.3334 2.3334 2.3334 2.3334 2.6211 2.6211 2.6211 2.6211 2.8463 2.8463 2.8463 2.8463 3.4493 3.4493 3.4493 3.4493 3.8794 3.8794 3.8794 3.8794 5.9279 5.9279 5.9279 5.9279 6.5327 6.5327 6.5327 6.5327 7.2123 7.2123 k =-0.2174 0.0669 0.3663 ( 12408 PWs) bands (ev): -8.2420 -8.2420 -8.2420 -8.2420 -7.7890 -7.7890 -7.7890 -7.7890 -7.3189 -7.3189 -7.3189 -7.3189 0.3649 0.3649 0.3649 0.3649 0.7808 0.7808 0.7808 0.7808 1.8298 1.8298 1.8298 1.8298 2.0885 2.0885 2.0885 2.0885 2.3271 2.3271 2.3271 2.3271 2.6315 2.6315 2.6315 2.6315 2.8405 2.8405 2.8405 2.8405 3.4209 3.4209 3.4209 3.4209 3.8719 3.8719 3.8719 3.8719 5.9043 5.9043 5.9043 5.9043 6.5543 6.5543 6.5543 6.5543 7.2112 7.2112 k =-0.2391 0.0736 0.3663 ( 12414 PWs) bands (ev): -8.2325 -8.2325 -8.2325 -8.2325 -7.8011 -7.8011 -7.8011 -7.8011 -7.3177 -7.3177 -7.3177 -7.3177 0.3597 0.3597 0.3597 0.3597 0.8050 0.8050 0.8050 0.8050 1.8270 1.8270 1.8270 1.8270 2.0969 2.0969 2.0969 2.0969 2.3215 2.3215 2.3215 2.3215 2.6365 2.6365 2.6365 2.6365 2.8421 2.8421 2.8421 2.8421 3.3930 3.3930 3.3930 3.3930 3.8623 3.8623 3.8623 3.8623 5.8806 5.8806 5.8806 5.8806 6.5767 6.5767 6.5767 6.5767 7.2104 7.2104 k =-0.2609 0.0803 0.3663 ( 12410 PWs) bands (ev): -8.2223 -8.2223 -8.2223 -8.2223 -7.8137 -7.8137 -7.8137 -7.8137 -7.3165 -7.3165 -7.3165 -7.3165 0.3528 0.3528 0.3528 0.3528 0.8340 0.8340 0.8340 0.8340 1.8228 1.8228 1.8228 1.8228 2.1014 2.1014 2.1014 2.1014 2.3169 2.3169 2.3169 2.3169 2.6356 2.6356 2.6356 2.6356 2.8518 2.8518 2.8518 2.8518 3.3660 3.3660 3.3660 3.3660 3.8508 3.8508 3.8508 3.8508 5.8572 5.8572 5.8572 5.8572 6.5995 6.5995 6.5995 6.5995 7.2100 7.2100 k =-0.2826 0.0870 0.3663 ( 12418 PWs) bands (ev): -8.2116 -8.2116 -8.2116 -8.2116 -7.8269 -7.8269 -7.8269 -7.8269 -7.3154 -7.3154 -7.3154 -7.3154 0.3446 0.3446 0.3446 0.3446 0.8672 0.8672 0.8672 0.8672 1.8172 1.8172 1.8172 1.8172 2.1008 2.1008 2.1008 2.1008 2.3139 2.3139 2.3139 2.3139 2.6307 2.6307 2.6307 2.6307 2.8686 2.8686 2.8686 2.8686 3.3402 3.3402 3.3402 3.3402 3.8377 3.8377 3.8377 3.8377 5.8345 5.8345 5.8345 5.8345 6.6226 6.6226 6.6226 6.6226 7.2099 7.2099 k =-0.3043 0.0937 0.3663 ( 12412 PWs) bands (ev): -8.2005 -8.2005 -8.2005 -8.2005 -7.8404 -7.8404 -7.8404 -7.8404 -7.3143 -7.3143 -7.3143 -7.3143 0.3356 0.3356 0.3356 0.3356 0.9039 0.9039 0.9039 0.9039 1.8097 1.8097 1.8097 1.8097 2.0949 2.0949 2.0949 2.0949 2.3124 2.3124 2.3124 2.3124 2.6239 2.6239 2.6239 2.6239 2.8905 2.8905 2.8905 2.8905 3.3158 3.3158 3.3158 3.3158 3.8232 3.8232 3.8232 3.8232 5.8128 5.8128 5.8128 5.8128 6.6455 6.6455 6.6455 6.6455 7.2102 7.2102 k =-0.3261 0.1004 0.3663 ( 12412 PWs) bands (ev): -8.1891 -8.1891 -8.1891 -8.1891 -7.8540 -7.8540 -7.8540 -7.8540 -7.3133 -7.3133 -7.3133 -7.3133 0.3264 0.3264 0.3264 0.3264 0.9434 0.9434 0.9434 0.9434 1.8002 1.8002 1.8002 1.8002 2.0839 2.0839 2.0839 2.0839 2.3124 2.3124 2.3124 2.3124 2.6174 2.6174 2.6174 2.6174 2.9154 2.9154 2.9154 2.9154 3.2932 3.2932 3.2932 3.2932 3.8077 3.8077 3.8077 3.8077 5.7925 5.7925 5.7925 5.7925 6.6679 6.6679 6.6679 6.6679 7.2108 7.2108 k =-0.3478 0.1071 0.3663 ( 12422 PWs) bands (ev): -8.1776 -8.1776 -8.1776 -8.1776 -7.8675 -7.8675 -7.8675 -7.8675 -7.3124 -7.3124 -7.3124 -7.3124 0.3173 0.3173 0.3173 0.3173 0.9848 0.9848 0.9848 0.9848 1.7883 1.7883 1.7883 1.7883 2.0691 2.0691 2.0691 2.0691 2.3134 2.3134 2.3134 2.3134 2.6124 2.6124 2.6124 2.6124 2.9414 2.9414 2.9414 2.9414 3.2726 3.2726 3.2726 3.2726 3.7915 3.7915 3.7915 3.7915 5.7738 5.7738 5.7738 5.7738 6.6894 6.6894 6.6894 6.6894 7.2116 7.2116 k =-0.3696 0.1138 0.3663 ( 12432 PWs) bands (ev): -8.1662 -8.1662 -8.1662 -8.1662 -7.8808 -7.8808 -7.8808 -7.8808 -7.3116 -7.3116 -7.3116 -7.3116 0.3088 0.3088 0.3088 0.3088 1.0270 1.0270 1.0270 1.0270 1.7736 1.7736 1.7736 1.7736 2.0523 2.0523 2.0523 2.0523 2.3148 2.3148 2.3148 2.3148 2.6093 2.6093 2.6093 2.6093 2.9671 2.9671 2.9671 2.9671 3.2544 3.2544 3.2544 3.2544 3.7753 3.7753 3.7753 3.7753 5.7570 5.7570 5.7570 5.7570 6.7095 6.7095 6.7095 6.7095 7.2126 7.2126 k =-0.3913 0.1204 0.3663 ( 12428 PWs) bands (ev): -8.1553 -8.1553 -8.1553 -8.1553 -7.8933 -7.8933 -7.8933 -7.8933 -7.3108 -7.3108 -7.3108 -7.3108 0.3011 0.3011 0.3011 0.3011 1.0688 1.0688 1.0688 1.0688 1.7562 1.7562 1.7562 1.7562 2.0354 2.0354 2.0354 2.0354 2.3163 2.3163 2.3163 2.3163 2.6082 2.6082 2.6082 2.6082 2.9911 2.9911 2.9911 2.9911 3.2389 3.2389 3.2389 3.2389 3.7595 3.7595 3.7595 3.7595 5.7423 5.7423 5.7423 5.7423 6.7279 6.7279 6.7279 6.7279 7.2138 7.2138 k =-0.4130 0.1271 0.3663 ( 12412 PWs) bands (ev): -8.1452 -8.1452 -8.1452 -8.1452 -7.9047 -7.9047 -7.9047 -7.9047 -7.3102 -7.3102 -7.3102 -7.3102 0.2945 0.2945 0.2945 0.2945 1.1086 1.1086 1.1086 1.1086 1.7368 1.7368 1.7368 1.7368 2.0201 2.0201 2.0201 2.0201 2.3177 2.3177 2.3177 2.3177 2.6085 2.6085 2.6085 2.6085 3.0123 3.0123 3.0123 3.0123 3.2263 3.2263 3.2263 3.2263 3.7450 3.7450 3.7450 3.7450 5.7300 5.7300 5.7300 5.7300 6.7438 6.7438 6.7438 6.7438 7.2150 7.2150 k =-0.4348 0.1338 0.3663 ( 12412 PWs) bands (ev): -8.1364 -8.1364 -8.1364 -8.1364 -7.9146 -7.9146 -7.9146 -7.9146 -7.3097 -7.3097 -7.3097 -7.3097 0.2891 0.2891 0.2891 0.2891 1.1443 1.1443 1.1443 1.1443 1.7168 1.7168 1.7168 1.7168 2.0075 2.0075 2.0075 2.0075 2.3187 2.3187 2.3187 2.3187 2.6096 2.6096 2.6096 2.6096 3.0294 3.0294 3.0294 3.0294 3.2169 3.2169 3.2169 3.2169 3.7326 3.7326 3.7326 3.7326 5.7202 5.7202 5.7202 5.7202 6.7569 6.7569 6.7569 6.7569 7.2160 7.2160 k =-0.4565 0.1405 0.3663 ( 12406 PWs) bands (ev): -8.1295 -8.1295 -8.1295 -8.1295 -7.9223 -7.9223 -7.9223 -7.9223 -7.3094 -7.3094 -7.3094 -7.3094 0.2852 0.2852 0.2852 0.2852 1.1732 1.1732 1.1732 1.1732 1.6990 1.6990 1.6990 1.6990 1.9984 1.9984 1.9984 1.9984 2.3194 2.3194 2.3194 2.3194 2.6109 2.6109 2.6109 2.6109 3.0420 3.0420 3.0420 3.0420 3.2107 3.2107 3.2107 3.2107 3.7229 3.7229 3.7229 3.7229 5.7131 5.7131 5.7131 5.7131 6.7667 6.7667 6.7667 6.7667 7.2169 7.2169 k =-0.4783 0.1472 0.3663 ( 12402 PWs) bands (ev): -8.1250 -8.1250 -8.1250 -8.1250 -7.9272 -7.9272 -7.9272 -7.9272 -7.3092 -7.3092 -7.3092 -7.3092 0.2829 0.2829 0.2829 0.2829 1.1924 1.1924 1.1924 1.1924 1.6863 1.6863 1.6863 1.6863 1.9929 1.9929 1.9929 1.9929 2.3198 2.3198 2.3198 2.3198 2.6119 2.6119 2.6119 2.6119 3.0495 3.0495 3.0495 3.0495 3.2072 3.2072 3.2072 3.2072 3.7168 3.7168 3.7168 3.7168 5.7088 5.7088 5.7088 5.7088 6.7727 6.7727 6.7727 6.7727 7.2175 7.2175 k =-0.5000 0.1539 0.3663 ( 12392 PWs) bands (ev): -8.1235 -8.1235 -8.1235 -8.1235 -7.9289 -7.9289 -7.9289 -7.9289 -7.3091 -7.3091 -7.3091 -7.3091 0.2821 0.2821 0.2821 0.2821 1.1991 1.1991 1.1991 1.1991 1.6817 1.6817 1.6817 1.6817 1.9911 1.9911 1.9911 1.9911 2.3200 2.3200 2.3200 2.3200 2.6123 2.6123 2.6123 2.6123 3.0520 3.0520 3.0520 3.0520 3.2061 3.2061 3.2061 3.2061 3.7147 3.7147 3.7147 3.7147 5.7074 5.7074 5.7074 5.7074 6.7748 6.7748 6.7748 6.7748 7.2177 7.2177 Writing output data file LaI3.save init_run : 4.28s CPU 13.77s WALL ( 1 calls) electrons : 2505.40s CPU 2533.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 2505.36s CPU 2532.79s WALL ( 1 calls) v_of_rho : 0.12s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.61s WALL ( 1 calls) newd : 0.49s CPU 0.87s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.25s CPU 0.66s WALL ( 292 calls) cegterg : 2397.90s CPU 2419.24s WALL ( 1305 calls) Called by sum_band: Called by *egterg: h_psi : 1349.47s CPU 1366.65s WALL ( 25718 calls) s_psi : 159.14s CPU 159.61s WALL ( 25718 calls) g_psi : 3.76s CPU 3.82s WALL ( 24121 calls) cdiaghg : 525.90s CPU 520.41s WALL ( 24413 calls) cegterg:over : 197.26s CPU 193.01s WALL ( 24121 calls) cegterg:upda : 81.80s CPU 89.48s WALL ( 24121 calls) cegterg:last : 58.06s CPU 59.31s WALL ( 3349 calls) Called by h_psi: h_psi:vloc : 1002.38s CPU 1014.93s WALL ( 25718 calls) h_psi:vnl : 345.17s CPU 348.27s WALL ( 25718 calls) add_vuspsi : 143.22s CPU 152.42s WALL ( 25718 calls) General routines calbec : 201.85s CPU 195.65s WALL ( 25718 calls) fft : 0.33s CPU 1.31s WALL ( 15 calls) fftw : 948.23s CPU 956.77s WALL ( 2282924 calls) davcio : 0.05s CPU 5.24s WALL ( 584 calls) Parallel routines fft_scatter : 499.96s CPU 498.61s WALL ( 2282939 calls) PWSCF : 43m16.24s CPU 46m15.74s WALL This run was terminated on: 17:42:20 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=