Program PWSCF v.5.1.1 starts on 20Jul2015 at 4: 5: 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: ./MgCl2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 92 56 15 5046 2399 347 Max 93 57 16 5050 2425 353 Sum 4441 2719 745 242277 115771 16791 bravais-lattice index = 14 lattice parameter (alat) = 11.4971 a.u. unit-cell volume = 1892.1612 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.497093 celldm(2)= 1.100427 celldm(3)= 1.259533 celldm(4)= -0.382522 celldm(5)= -0.233954 celldm(6)= 0.088025 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.096865 1.096156 0.000000 ) a(3) = ( -0.294673 -0.457637 1.135852 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.088368 0.223826 ) b(2) = ( 0.000000 0.912279 0.367559 ) b(3) = ( 0.000000 0.000000 0.880396 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Mg 10.00 24.30500 Mg( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 214 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4561395 -0.1837796), wk = 0.0046729 k( 2) = ( 0.0000000 -0.4385957 -0.1767111), wk = 0.0046729 k( 3) = ( 0.0000000 -0.4210519 -0.1696427), wk = 0.0046729 k( 4) = ( 0.0000000 -0.4035081 -0.1625743), wk = 0.0046729 k( 5) = ( 0.0000000 -0.3859642 -0.1555058), wk = 0.0046729 k( 6) = ( 0.0000000 -0.3684204 -0.1484374), wk = 0.0046729 k( 7) = ( 0.0000000 -0.3508766 -0.1413689), wk = 0.0046729 k( 8) = ( 0.0000000 -0.3333327 -0.1343005), wk = 0.0046729 k( 9) = ( 0.0000000 -0.3157889 -0.1272320), wk = 0.0046729 k( 10) = ( 0.0000000 -0.2982451 -0.1201636), wk = 0.0046729 k( 11) = ( 0.0000000 -0.2807013 -0.1130951), wk = 0.0046729 k( 12) = ( 0.0000000 -0.2631574 -0.1060267), wk = 0.0046729 k( 13) = ( 0.0000000 -0.2456136 -0.0989582), wk = 0.0046729 k( 14) = ( 0.0000000 -0.2280698 -0.0918898), wk = 0.0046729 k( 15) = ( 0.0000000 -0.2105259 -0.0848214), wk = 0.0046729 k( 16) = ( 0.0000000 -0.1929821 -0.0777529), wk = 0.0046729 k( 17) = ( 0.0000000 -0.1754383 -0.0706845), wk = 0.0046729 k( 18) = ( 0.0000000 -0.1578945 -0.0636160), wk = 0.0046729 k( 19) = ( 0.0000000 -0.1403506 -0.0565476), wk = 0.0046729 k( 20) = ( 0.0000000 -0.1228068 -0.0494791), wk = 0.0046729 k( 21) = ( 0.0000000 -0.1052630 -0.0424107), wk = 0.0046729 k( 22) = ( 0.0000000 -0.0877191 -0.0353422), wk = 0.0046729 k( 23) = ( 0.0000000 -0.0701753 -0.0282738), wk = 0.0046729 k( 24) = ( 0.0000000 -0.0526315 -0.0212053), wk = 0.0046729 k( 25) = ( 0.0000000 -0.0350877 -0.0141369), wk = 0.0046729 k( 26) = ( 0.0000000 -0.0175438 -0.0070684), wk = 0.0046729 k( 27) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 28) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 29) = ( 0.0185185 -0.0016364 0.0041449), wk = 0.0046729 k( 30) = ( 0.0370370 -0.0032729 0.0082898), wk = 0.0046729 k( 31) = ( 0.0555556 -0.0049093 0.0124348), wk = 0.0046729 k( 32) = ( 0.0740741 -0.0065458 0.0165797), wk = 0.0046729 k( 33) = ( 0.0925926 -0.0081822 0.0207246), wk = 0.0046729 k( 34) = ( 0.1111111 -0.0098187 0.0248695), wk = 0.0046729 k( 35) = ( 0.1296296 -0.0114551 0.0290144), wk = 0.0046729 k( 36) = ( 0.1481482 -0.0130916 0.0331594), wk = 0.0046729 k( 37) = ( 0.1666667 -0.0147280 0.0373043), wk = 0.0046729 k( 38) = ( 0.1851852 -0.0163645 0.0414492), wk = 0.0046729 k( 39) = ( 0.2037037 -0.0180009 0.0455941), wk = 0.0046729 k( 40) = ( 0.2222222 -0.0196373 0.0497391), wk = 0.0046729 k( 41) = ( 0.2407407 -0.0212738 0.0538840), wk = 0.0046729 k( 42) = ( 0.2592593 -0.0229102 0.0580289), wk = 0.0046729 k( 43) = ( 0.2777778 -0.0245467 0.0621738), wk = 0.0046729 k( 44) = ( 0.2962963 -0.0261831 0.0663187), wk = 0.0046729 k( 45) = ( 0.3148148 -0.0278196 0.0704637), wk = 0.0046729 k( 46) = ( 0.3333333 -0.0294560 0.0746086), wk = 0.0046729 k( 47) = ( 0.3518519 -0.0310925 0.0787535), wk = 0.0046729 k( 48) = ( 0.3703704 -0.0327289 0.0828984), wk = 0.0046729 k( 49) = ( 0.3888889 -0.0343654 0.0870433), wk = 0.0046729 k( 50) = ( 0.4074074 -0.0360018 0.0911883), wk = 0.0046729 k( 51) = ( 0.4259259 -0.0376383 0.0953332), wk = 0.0046729 k( 52) = ( 0.4444444 -0.0392747 0.0994781), wk = 0.0046729 k( 53) = ( 0.4629630 -0.0409111 0.1036230), wk = 0.0046729 k( 54) = ( 0.4814815 -0.0425476 0.1077679), wk = 0.0046729 k( 55) = ( 0.5000000 -0.0441840 0.1119129), wk = 0.0046729 k( 56) = ( 0.5000000 -0.5003236 -0.0718667), wk = 0.0046729 k( 57) = ( 0.4864865 -0.4868013 -0.0699244), wk = 0.0046729 k( 58) = ( 0.4729730 -0.4732791 -0.0679820), wk = 0.0046729 k( 59) = ( 0.4594595 -0.4597568 -0.0660397), wk = 0.0046729 k( 60) = ( 0.4459459 -0.4462346 -0.0640974), wk = 0.0046729 k( 61) = ( 0.4324324 -0.4327123 -0.0621550), wk = 0.0046729 k( 62) = ( 0.4189189 -0.4191900 -0.0602127), wk = 0.0046729 k( 63) = ( 0.4054054 -0.4056678 -0.0582703), wk = 0.0046729 k( 64) = ( 0.3918919 -0.3921455 -0.0563280), wk = 0.0046729 k( 65) = ( 0.3783784 -0.3786233 -0.0543856), wk = 0.0046729 k( 66) = ( 0.3648649 -0.3651010 -0.0524433), wk = 0.0046729 k( 67) = ( 0.3513514 -0.3515787 -0.0505009), wk = 0.0046729 k( 68) = ( 0.3378378 -0.3380565 -0.0485586), wk = 0.0046729 k( 69) = ( 0.3243243 -0.3245342 -0.0466163), wk = 0.0046729 k( 70) = ( 0.3108108 -0.3110120 -0.0446739), wk = 0.0046729 k( 71) = ( 0.2972973 -0.2974897 -0.0427316), wk = 0.0046729 k( 72) = ( 0.2837838 -0.2839674 -0.0407892), wk = 0.0046729 k( 73) = ( 0.2702703 -0.2704452 -0.0388469), wk = 0.0046729 k( 74) = ( 0.2567568 -0.2569229 -0.0369045), wk = 0.0046729 k( 75) = ( 0.2432432 -0.2434007 -0.0349622), wk = 0.0046729 k( 76) = ( 0.2297297 -0.2298784 -0.0330198), wk = 0.0046729 k( 77) = ( 0.2162162 -0.2163561 -0.0310775), wk = 0.0046729 k( 78) = ( 0.2027027 -0.2028339 -0.0291352), wk = 0.0046729 k( 79) = ( 0.1891892 -0.1893116 -0.0271928), wk = 0.0046729 k( 80) = ( 0.1756757 -0.1757894 -0.0252505), wk = 0.0046729 k( 81) = ( 0.1621622 -0.1622671 -0.0233081), wk = 0.0046729 k( 82) = ( 0.1486486 -0.1487449 -0.0213658), wk = 0.0046729 k( 83) = ( 0.1351351 -0.1352226 -0.0194234), wk = 0.0046729 k( 84) = ( 0.1216216 -0.1217003 -0.0174811), wk = 0.0046729 k( 85) = ( 0.1081081 -0.1081781 -0.0155388), wk = 0.0046729 k( 86) = ( 0.0945946 -0.0946558 -0.0135964), wk = 0.0046729 k( 87) = ( 0.0810811 -0.0811336 -0.0116541), wk = 0.0046729 k( 88) = ( 0.0675676 -0.0676113 -0.0097117), wk = 0.0046729 k( 89) = ( 0.0540540 -0.0540890 -0.0077694), wk = 0.0046729 k( 90) = ( 0.0405405 -0.0405668 -0.0058270), wk = 0.0046729 k( 91) = ( 0.0270270 -0.0270445 -0.0038847), wk = 0.0046729 k( 92) = ( 0.0135135 -0.0135223 -0.0019423), wk = 0.0046729 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 95) = ( -0.0161290 0.0014253 0.0105898), wk = 0.0046729 k( 96) = ( -0.0322581 0.0028506 0.0211797), wk = 0.0046729 k( 97) = ( -0.0483871 0.0042759 0.0317696), wk = 0.0046729 k( 98) = ( -0.0645161 0.0057012 0.0423594), wk = 0.0046729 k( 99) = ( -0.0806452 0.0071265 0.0529492), wk = 0.0046729 k( 100) = ( -0.0967742 0.0085517 0.0635391), wk = 0.0046729 k( 101) = ( -0.1129032 0.0099770 0.0741290), wk = 0.0046729 k( 102) = ( -0.1290323 0.0114023 0.0847188), wk = 0.0046729 k( 103) = ( -0.1451613 0.0128276 0.0953086), wk = 0.0046729 k( 104) = ( -0.1612903 0.0142529 0.1058985), wk = 0.0046729 k( 105) = ( -0.1774194 0.0156782 0.1164883), wk = 0.0046729 k( 106) = ( -0.1935484 0.0171035 0.1270782), wk = 0.0046729 k( 107) = ( -0.2096774 0.0185288 0.1376680), wk = 0.0046729 k( 108) = ( -0.2258064 0.0199541 0.1482579), wk = 0.0046729 k( 109) = ( -0.2419355 0.0213794 0.1588477), wk = 0.0046729 k( 110) = ( -0.2580645 0.0228047 0.1694376), wk = 0.0046729 k( 111) = ( -0.2741936 0.0242300 0.1800274), wk = 0.0046729 k( 112) = ( -0.2903226 0.0256552 0.1906173), wk = 0.0046729 k( 113) = ( -0.3064516 0.0270805 0.2012071), wk = 0.0046729 k( 114) = ( -0.3225807 0.0285058 0.2117970), wk = 0.0046729 k( 115) = ( -0.3387097 0.0299311 0.2223868), wk = 0.0046729 k( 116) = ( -0.3548387 0.0313564 0.2329767), wk = 0.0046729 k( 117) = ( -0.3709677 0.0327817 0.2435665), wk = 0.0046729 k( 118) = ( -0.3870968 0.0342070 0.2541564), wk = 0.0046729 k( 119) = ( -0.4032258 0.0356323 0.2647462), wk = 0.0046729 k( 120) = ( -0.4193548 0.0370576 0.2753361), wk = 0.0046729 k( 121) = ( -0.4354839 0.0384829 0.2859259), wk = 0.0046729 k( 122) = ( -0.4516129 0.0399082 0.2965158), wk = 0.0046729 k( 123) = ( -0.4677419 0.0413335 0.3071056), wk = 0.0046729 k( 124) = ( -0.4838710 0.0427587 0.3176955), wk = 0.0046729 k( 125) = ( -0.5000000 0.0441840 0.3282853), wk = 0.0046729 k( 126) = ( -0.5000000 -0.4119555 0.1445057), wk = 0.0046729 k( 127) = ( -0.4857143 -0.4001854 0.1403770), wk = 0.0046729 k( 128) = ( -0.4714286 -0.3884152 0.1362483), wk = 0.0046729 k( 129) = ( -0.4571429 -0.3766450 0.1321195), wk = 0.0046729 k( 130) = ( -0.4428571 -0.3648749 0.1279908), wk = 0.0046729 k( 131) = ( -0.4285714 -0.3531047 0.1238621), wk = 0.0046729 k( 132) = ( -0.4142857 -0.3413346 0.1197333), wk = 0.0046729 k( 133) = ( -0.4000000 -0.3295644 0.1156046), wk = 0.0046729 k( 134) = ( -0.3857143 -0.3177943 0.1114759), wk = 0.0046729 k( 135) = ( -0.3714286 -0.3060241 0.1073471), wk = 0.0046729 k( 136) = ( -0.3571429 -0.2942539 0.1032184), wk = 0.0046729 k( 137) = ( -0.3428571 -0.2824838 0.0990897), wk = 0.0046729 k( 138) = ( -0.3285714 -0.2707136 0.0949609), wk = 0.0046729 k( 139) = ( -0.3142857 -0.2589435 0.0908322), wk = 0.0046729 k( 140) = ( -0.3000000 -0.2471733 0.0867034), wk = 0.0046729 k( 141) = ( -0.2857143 -0.2354032 0.0825747), wk = 0.0046729 k( 142) = ( -0.2714286 -0.2236330 0.0784460), wk = 0.0046729 k( 143) = ( -0.2571429 -0.2118628 0.0743172), wk = 0.0046729 k( 144) = ( -0.2428571 -0.2000927 0.0701885), wk = 0.0046729 k( 145) = ( -0.2285714 -0.1883225 0.0660598), wk = 0.0046729 k( 146) = ( -0.2142857 -0.1765524 0.0619310), wk = 0.0046729 k( 147) = ( -0.2000000 -0.1647822 0.0578023), wk = 0.0046729 k( 148) = ( -0.1857143 -0.1530120 0.0536736), wk = 0.0046729 k( 149) = ( -0.1714286 -0.1412419 0.0495448), wk = 0.0046729 k( 150) = ( -0.1571429 -0.1294717 0.0454161), wk = 0.0046729 k( 151) = ( -0.1428571 -0.1177016 0.0412874), wk = 0.0046729 k( 152) = ( -0.1285714 -0.1059314 0.0371586), wk = 0.0046729 k( 153) = ( -0.1142857 -0.0941613 0.0330299), wk = 0.0046729 k( 154) = ( -0.1000000 -0.0823911 0.0289011), wk = 0.0046729 k( 155) = ( -0.0857143 -0.0706209 0.0247724), wk = 0.0046729 k( 156) = ( -0.0714286 -0.0588508 0.0206437), wk = 0.0046729 k( 157) = ( -0.0571429 -0.0470806 0.0165149), wk = 0.0046729 k( 158) = ( -0.0428571 -0.0353105 0.0123862), wk = 0.0046729 k( 159) = ( -0.0285714 -0.0235403 0.0082575), wk = 0.0046729 k( 160) = ( -0.0142857 -0.0117702 0.0041287), wk = 0.0046729 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 163) = ( 0.0000000 0.0000000 0.0191391), wk = 0.0046729 k( 164) = ( 0.0000000 0.0000000 0.0382781), wk = 0.0046729 k( 165) = ( 0.0000000 0.0000000 0.0574172), wk = 0.0046729 k( 166) = ( 0.0000000 0.0000000 0.0765562), wk = 0.0046729 k( 167) = ( 0.0000000 0.0000000 0.0956953), wk = 0.0046729 k( 168) = ( 0.0000000 0.0000000 0.1148343), wk = 0.0046729 k( 169) = ( 0.0000000 0.0000000 0.1339734), wk = 0.0046729 k( 170) = ( 0.0000000 0.0000000 0.1531124), wk = 0.0046729 k( 171) = ( 0.0000000 0.0000000 0.1722515), wk = 0.0046729 k( 172) = ( 0.0000000 0.0000000 0.1913905), wk = 0.0046729 k( 173) = ( 0.0000000 0.0000000 0.2105296), wk = 0.0046729 k( 174) = ( 0.0000000 0.0000000 0.2296686), wk = 0.0046729 k( 175) = ( 0.0000000 0.0000000 0.2488077), wk = 0.0046729 k( 176) = ( 0.0000000 0.0000000 0.2679467), wk = 0.0046729 k( 177) = ( 0.0000000 0.0000000 0.2870858), wk = 0.0046729 k( 178) = ( 0.0000000 0.0000000 0.3062248), wk = 0.0046729 k( 179) = ( 0.0000000 0.0000000 0.3253639), wk = 0.0046729 k( 180) = ( 0.0000000 0.0000000 0.3445029), wk = 0.0046729 k( 181) = ( 0.0000000 0.0000000 0.3636420), wk = 0.0046729 k( 182) = ( 0.0000000 0.0000000 0.3827811), wk = 0.0046729 k( 183) = ( 0.0000000 0.0000000 0.4019201), wk = 0.0046729 k( 184) = ( 0.0000000 0.0000000 0.4210592), wk = 0.0046729 k( 185) = ( 0.0000000 0.0000000 0.4401982), wk = 0.0046729 k( 186) = ( 0.0000000 -0.4561395 0.2564186), wk = 0.0046729 k( 187) = ( 0.0000000 -0.4398489 0.2472608), wk = 0.0046729 k( 188) = ( 0.0000000 -0.4235581 0.2381030), wk = 0.0046729 k( 189) = ( 0.0000000 -0.4072675 0.2289452), wk = 0.0046729 k( 190) = ( 0.0000000 -0.3909768 0.2197874), wk = 0.0046729 k( 191) = ( 0.0000000 -0.3746861 0.2106296), wk = 0.0046729 k( 192) = ( 0.0000000 -0.3583954 0.2014718), wk = 0.0046729 k( 193) = ( 0.0000000 -0.3421047 0.1923140), wk = 0.0046729 k( 194) = ( 0.0000000 -0.3258140 0.1831562), wk = 0.0046729 k( 195) = ( 0.0000000 -0.3095233 0.1739983), wk = 0.0046729 k( 196) = ( 0.0000000 -0.2932326 0.1648405), wk = 0.0046729 k( 197) = ( 0.0000000 -0.2769419 0.1556827), wk = 0.0046729 k( 198) = ( 0.0000000 -0.2606512 0.1465249), wk = 0.0046729 k( 199) = ( 0.0000000 -0.2443605 0.1373671), wk = 0.0046729 k( 200) = ( 0.0000000 -0.2280698 0.1282093), wk = 0.0046729 k( 201) = ( 0.0000000 -0.2117791 0.1190515), wk = 0.0046729 k( 202) = ( 0.0000000 -0.1954884 0.1098937), wk = 0.0046729 k( 203) = ( 0.0000000 -0.1791977 0.1007359), wk = 0.0046729 k( 204) = ( 0.0000000 -0.1629070 0.0915781), wk = 0.0046729 k( 205) = ( 0.0000000 -0.1466163 0.0824203), wk = 0.0046729 k( 206) = ( 0.0000000 -0.1303256 0.0732625), wk = 0.0046729 k( 207) = ( 0.0000000 -0.1140349 0.0641047), wk = 0.0046729 k( 208) = ( 0.0000000 -0.0977442 0.0549468), wk = 0.0046729 k( 209) = ( 0.0000000 -0.0814535 0.0457890), wk = 0.0046729 k( 210) = ( 0.0000000 -0.0651628 0.0366312), wk = 0.0046729 k( 211) = ( 0.0000000 -0.0488721 0.0274734), wk = 0.0046729 k( 212) = ( 0.0000000 -0.0325814 0.0183156), wk = 0.0046729 k( 213) = ( 0.0000000 -0.0162907 0.0091578), wk = 0.0046729 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0046729 k( 2) = ( 0.0000000 -0.4807692 0.0000000), wk = 0.0046729 k( 3) = ( 0.0000000 -0.4615385 0.0000000), wk = 0.0046729 k( 4) = ( 0.0000000 -0.4423077 0.0000000), wk = 0.0046729 k( 5) = ( 0.0000000 -0.4230769 -0.0000000), wk = 0.0046729 k( 6) = ( 0.0000000 -0.4038462 -0.0000000), wk = 0.0046729 k( 7) = ( 0.0000000 -0.3846154 0.0000000), wk = 0.0046729 k( 8) = ( 0.0000000 -0.3653846 0.0000000), wk = 0.0046729 k( 9) = ( 0.0000000 -0.3461538 0.0000000), wk = 0.0046729 k( 10) = ( 0.0000000 -0.3269231 0.0000000), wk = 0.0046729 k( 11) = ( 0.0000000 -0.3076923 -0.0000000), wk = 0.0046729 k( 12) = ( 0.0000000 -0.2884615 0.0000000), wk = 0.0046729 k( 13) = ( 0.0000000 -0.2692308 -0.0000000), wk = 0.0046729 k( 14) = ( 0.0000000 -0.2500000 0.0000000), wk = 0.0046729 k( 15) = ( 0.0000000 -0.2307692 0.0000000), wk = 0.0046729 k( 16) = ( 0.0000000 -0.2115385 -0.0000000), wk = 0.0046729 k( 17) = ( 0.0000000 -0.1923077 0.0000000), wk = 0.0046729 k( 18) = ( 0.0000000 -0.1730769 0.0000000), wk = 0.0046729 k( 19) = ( 0.0000000 -0.1538461 0.0000000), wk = 0.0046729 k( 20) = ( 0.0000000 -0.1346154 0.0000000), wk = 0.0046729 k( 21) = ( 0.0000000 -0.1153846 0.0000000), wk = 0.0046729 k( 22) = ( 0.0000000 -0.0961538 0.0000000), wk = 0.0046729 k( 23) = ( 0.0000000 -0.0769231 0.0000000), wk = 0.0046729 k( 24) = ( 0.0000000 -0.0576923 0.0000000), wk = 0.0046729 k( 25) = ( 0.0000000 -0.0384615 0.0000000), wk = 0.0046729 k( 26) = ( 0.0000000 -0.0192308 0.0000000), wk = 0.0046729 k( 27) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 28) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 29) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0046729 k( 30) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0046729 k( 31) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0046729 k( 32) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0046729 k( 33) = ( 0.0925926 0.0000000 0.0000000), wk = 0.0046729 k( 34) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0046729 k( 35) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0046729 k( 36) = ( 0.1481482 0.0000000 0.0000000), wk = 0.0046729 k( 37) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0046729 k( 38) = ( 0.1851852 0.0000000 0.0000000), wk = 0.0046729 k( 39) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0046729 k( 40) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0046729 k( 41) = ( 0.2407407 0.0000000 -0.0000000), wk = 0.0046729 k( 42) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0046729 k( 43) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0046729 k( 44) = ( 0.2962963 0.0000000 0.0000000), wk = 0.0046729 k( 45) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0046729 k( 46) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0046729 k( 47) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0046729 k( 48) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0046729 k( 49) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0046729 k( 50) = ( 0.4074074 0.0000000 0.0000000), wk = 0.0046729 k( 51) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0046729 k( 52) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0046729 k( 53) = ( 0.4629630 0.0000000 0.0000000), wk = 0.0046729 k( 54) = ( 0.4814815 0.0000000 -0.0000000), wk = 0.0046729 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046729 k( 56) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0046729 k( 57) = ( 0.4864865 -0.4864865 -0.0000000), wk = 0.0046729 k( 58) = ( 0.4729730 -0.4729730 -0.0000000), wk = 0.0046729 k( 59) = ( 0.4594595 -0.4594595 0.0000000), wk = 0.0046729 k( 60) = ( 0.4459459 -0.4459459 -0.0000000), wk = 0.0046729 k( 61) = ( 0.4324324 -0.4324324 0.0000000), wk = 0.0046729 k( 62) = ( 0.4189189 -0.4189189 0.0000000), wk = 0.0046729 k( 63) = ( 0.4054054 -0.4054054 0.0000000), wk = 0.0046729 k( 64) = ( 0.3918919 -0.3918919 -0.0000000), wk = 0.0046729 k( 65) = ( 0.3783784 -0.3783784 0.0000000), wk = 0.0046729 k( 66) = ( 0.3648649 -0.3648649 0.0000000), wk = 0.0046729 k( 67) = ( 0.3513514 -0.3513514 0.0000000), wk = 0.0046729 k( 68) = ( 0.3378378 -0.3378378 0.0000000), wk = 0.0046729 k( 69) = ( 0.3243243 -0.3243243 -0.0000000), wk = 0.0046729 k( 70) = ( 0.3108108 -0.3108108 -0.0000000), wk = 0.0046729 k( 71) = ( 0.2972973 -0.2972973 -0.0000000), wk = 0.0046729 k( 72) = ( 0.2837838 -0.2837838 0.0000000), wk = 0.0046729 k( 73) = ( 0.2702703 -0.2702703 -0.0000000), wk = 0.0046729 k( 74) = ( 0.2567568 -0.2567568 -0.0000000), wk = 0.0046729 k( 75) = ( 0.2432432 -0.2432432 -0.0000000), wk = 0.0046729 k( 76) = ( 0.2297297 -0.2297297 0.0000000), wk = 0.0046729 k( 77) = ( 0.2162162 -0.2162162 0.0000000), wk = 0.0046729 k( 78) = ( 0.2027027 -0.2027027 0.0000000), wk = 0.0046729 k( 79) = ( 0.1891892 -0.1891892 0.0000000), wk = 0.0046729 k( 80) = ( 0.1756757 -0.1756757 0.0000000), wk = 0.0046729 k( 81) = ( 0.1621622 -0.1621622 -0.0000000), wk = 0.0046729 k( 82) = ( 0.1486486 -0.1486486 -0.0000000), wk = 0.0046729 k( 83) = ( 0.1351351 -0.1351351 0.0000000), wk = 0.0046729 k( 84) = ( 0.1216216 -0.1216216 -0.0000000), wk = 0.0046729 k( 85) = ( 0.1081081 -0.1081081 0.0000000), wk = 0.0046729 k( 86) = ( 0.0945946 -0.0945946 -0.0000000), wk = 0.0046729 k( 87) = ( 0.0810811 -0.0810811 -0.0000000), wk = 0.0046729 k( 88) = ( 0.0675676 -0.0675676 0.0000000), wk = 0.0046729 k( 89) = ( 0.0540540 -0.0540540 -0.0000000), wk = 0.0046729 k( 90) = ( 0.0405405 -0.0405405 -0.0000000), wk = 0.0046729 k( 91) = ( 0.0270270 -0.0270270 0.0000000), wk = 0.0046729 k( 92) = ( 0.0135135 -0.0135135 0.0000000), wk = 0.0046729 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 94) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 95) = ( -0.0161290 -0.0000000 0.0161290), wk = 0.0046729 k( 96) = ( -0.0322581 -0.0000000 0.0322581), wk = 0.0046729 k( 97) = ( -0.0483871 0.0000000 0.0483871), wk = 0.0046729 k( 98) = ( -0.0645161 0.0000000 0.0645161), wk = 0.0046729 k( 99) = ( -0.0806452 -0.0000000 0.0806452), wk = 0.0046729 k( 100) = ( -0.0967742 0.0000000 0.0967742), wk = 0.0046729 k( 101) = ( -0.1129032 0.0000000 0.1129032), wk = 0.0046729 k( 102) = ( -0.1290323 0.0000000 0.1290323), wk = 0.0046729 k( 103) = ( -0.1451613 -0.0000000 0.1451613), wk = 0.0046729 k( 104) = ( -0.1612903 -0.0000000 0.1612903), wk = 0.0046729 k( 105) = ( -0.1774194 0.0000000 0.1774194), wk = 0.0046729 k( 106) = ( -0.1935484 0.0000000 0.1935484), wk = 0.0046729 k( 107) = ( -0.2096774 0.0000000 0.2096774), wk = 0.0046729 k( 108) = ( -0.2258064 0.0000000 0.2258064), wk = 0.0046729 k( 109) = ( -0.2419355 -0.0000000 0.2419355), wk = 0.0046729 k( 110) = ( -0.2580645 0.0000000 0.2580645), wk = 0.0046729 k( 111) = ( -0.2741936 -0.0000000 0.2741936), wk = 0.0046729 k( 112) = ( -0.2903226 -0.0000000 0.2903226), wk = 0.0046729 k( 113) = ( -0.3064516 0.0000000 0.3064516), wk = 0.0046729 k( 114) = ( -0.3225807 0.0000000 0.3225807), wk = 0.0046729 k( 115) = ( -0.3387097 0.0000000 0.3387097), wk = 0.0046729 k( 116) = ( -0.3548387 0.0000000 0.3548387), wk = 0.0046729 k( 117) = ( -0.3709677 0.0000000 0.3709677), wk = 0.0046729 k( 118) = ( -0.3870968 0.0000000 0.3870968), wk = 0.0046729 k( 119) = ( -0.4032258 0.0000000 0.4032258), wk = 0.0046729 k( 120) = ( -0.4193548 0.0000000 0.4193548), wk = 0.0046729 k( 121) = ( -0.4354839 -0.0000000 0.4354839), wk = 0.0046729 k( 122) = ( -0.4516129 0.0000000 0.4516129), wk = 0.0046729 k( 123) = ( -0.4677419 0.0000000 0.4677419), wk = 0.0046729 k( 124) = ( -0.4838710 0.0000000 0.4838710), wk = 0.0046729 k( 125) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0046729 k( 126) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0046729 k( 127) = ( -0.4857143 -0.4857143 0.4857143), wk = 0.0046729 k( 128) = ( -0.4714286 -0.4714286 0.4714286), wk = 0.0046729 k( 129) = ( -0.4571429 -0.4571429 0.4571429), wk = 0.0046729 k( 130) = ( -0.4428571 -0.4428571 0.4428571), wk = 0.0046729 k( 131) = ( -0.4285714 -0.4285714 0.4285714), wk = 0.0046729 k( 132) = ( -0.4142857 -0.4142857 0.4142857), wk = 0.0046729 k( 133) = ( -0.4000000 -0.4000000 0.4000000), wk = 0.0046729 k( 134) = ( -0.3857143 -0.3857143 0.3857143), wk = 0.0046729 k( 135) = ( -0.3714286 -0.3714286 0.3714286), wk = 0.0046729 k( 136) = ( -0.3571429 -0.3571429 0.3571429), wk = 0.0046729 k( 137) = ( -0.3428571 -0.3428571 0.3428571), wk = 0.0046729 k( 138) = ( -0.3285714 -0.3285714 0.3285714), wk = 0.0046729 k( 139) = ( -0.3142857 -0.3142857 0.3142857), wk = 0.0046729 k( 140) = ( -0.3000000 -0.3000000 0.3000000), wk = 0.0046729 k( 141) = ( -0.2857143 -0.2857143 0.2857143), wk = 0.0046729 k( 142) = ( -0.2714286 -0.2714286 0.2714286), wk = 0.0046729 k( 143) = ( -0.2571429 -0.2571429 0.2571429), wk = 0.0046729 k( 144) = ( -0.2428571 -0.2428571 0.2428571), wk = 0.0046729 k( 145) = ( -0.2285714 -0.2285714 0.2285714), wk = 0.0046729 k( 146) = ( -0.2142857 -0.2142857 0.2142857), wk = 0.0046729 k( 147) = ( -0.2000000 -0.2000000 0.2000000), wk = 0.0046729 k( 148) = ( -0.1857143 -0.1857143 0.1857143), wk = 0.0046729 k( 149) = ( -0.1714286 -0.1714286 0.1714286), wk = 0.0046729 k( 150) = ( -0.1571429 -0.1571429 0.1571429), wk = 0.0046729 k( 151) = ( -0.1428571 -0.1428571 0.1428571), wk = 0.0046729 k( 152) = ( -0.1285714 -0.1285714 0.1285714), wk = 0.0046729 k( 153) = ( -0.1142857 -0.1142857 0.1142857), wk = 0.0046729 k( 154) = ( -0.1000000 -0.1000000 0.1000000), wk = 0.0046729 k( 155) = ( -0.0857143 -0.0857143 0.0857143), wk = 0.0046729 k( 156) = ( -0.0714286 -0.0714286 0.0714286), wk = 0.0046729 k( 157) = ( -0.0571429 -0.0571429 0.0571429), wk = 0.0046729 k( 158) = ( -0.0428571 -0.0428571 0.0428571), wk = 0.0046729 k( 159) = ( -0.0285714 -0.0285714 0.0285714), wk = 0.0046729 k( 160) = ( -0.0142857 -0.0142857 0.0142857), wk = 0.0046729 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 k( 163) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0046729 k( 164) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0046729 k( 165) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0046729 k( 166) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0046729 k( 167) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0046729 k( 168) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0046729 k( 169) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0046729 k( 170) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0046729 k( 171) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0046729 k( 172) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0046729 k( 173) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0046729 k( 174) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0046729 k( 175) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0046729 k( 176) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0046729 k( 177) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0046729 k( 178) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0046729 k( 179) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0046729 k( 180) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0046729 k( 181) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0046729 k( 182) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0046729 k( 183) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0046729 k( 184) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0046729 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046729 k( 186) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0046729 k( 187) = ( 0.0000000 -0.4821429 0.4821429), wk = 0.0046729 k( 188) = ( 0.0000000 -0.4642857 0.4642857), wk = 0.0046729 k( 189) = ( 0.0000000 -0.4464286 0.4464286), wk = 0.0046729 k( 190) = ( 0.0000000 -0.4285714 0.4285714), wk = 0.0046729 k( 191) = ( 0.0000000 -0.4107143 0.4107143), wk = 0.0046729 k( 192) = ( 0.0000000 -0.3928571 0.3928571), wk = 0.0046729 k( 193) = ( 0.0000000 -0.3750000 0.3750000), wk = 0.0046729 k( 194) = ( 0.0000000 -0.3571429 0.3571429), wk = 0.0046729 k( 195) = ( 0.0000000 -0.3392857 0.3392857), wk = 0.0046729 k( 196) = ( 0.0000000 -0.3214286 0.3214286), wk = 0.0046729 k( 197) = ( 0.0000000 -0.3035714 0.3035714), wk = 0.0046729 k( 198) = ( 0.0000000 -0.2857143 0.2857143), wk = 0.0046729 k( 199) = ( 0.0000000 -0.2678571 0.2678571), wk = 0.0046729 k( 200) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0046729 k( 201) = ( 0.0000000 -0.2321429 0.2321429), wk = 0.0046729 k( 202) = ( 0.0000000 -0.2142857 0.2142857), wk = 0.0046729 k( 203) = ( 0.0000000 -0.1964286 0.1964286), wk = 0.0046729 k( 204) = ( 0.0000000 -0.1785714 0.1785714), wk = 0.0046729 k( 205) = ( 0.0000000 -0.1607143 0.1607143), wk = 0.0046729 k( 206) = ( 0.0000000 -0.1428571 0.1428571), wk = 0.0046729 k( 207) = ( 0.0000000 -0.1250000 0.1250000), wk = 0.0046729 k( 208) = ( 0.0000000 -0.1071429 0.1071429), wk = 0.0046729 k( 209) = ( 0.0000000 -0.0892857 0.0892857), wk = 0.0046729 k( 210) = ( 0.0000000 -0.0714286 0.0714286), wk = 0.0046729 k( 211) = ( 0.0000000 -0.0535714 0.0535714), wk = 0.0046729 k( 212) = ( 0.0000000 -0.0357143 0.0357143), wk = 0.0046729 k( 213) = ( 0.0000000 -0.0178571 0.0178571), wk = 0.0046729 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046729 Dense grid: 242277 G-vectors FFT dimensions: ( 72, 80, 96) Smooth grid: 115771 G-vectors FFT dimensions: ( 60, 64, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.56 Mb ( 636, 58) NL pseudopotentials 0.80 Mb ( 318, 164) Each V/rho on FFT grid 0.18 Mb ( 11520) Each G-vector array 0.04 Mb ( 5047) G-vector shells 0.04 Mb ( 4997) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.25 Mb ( 636, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./MgCl2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.3 secs Computing kpt #: 2 total cpu time spent up to now is 46.5 secs Computing kpt #: 3 total cpu time spent up to now is 50.7 secs Computing kpt #: 4 total cpu time spent up to now is 54.9 secs Computing kpt #: 5 total cpu time spent up to now is 59.2 secs Computing kpt #: 6 total cpu time spent up to now is 64.1 secs Computing kpt #: 7 total cpu time spent up to now is 69.9 secs Computing kpt #: 8 total cpu time spent up to now is 74.9 secs Computing kpt #: 9 total cpu time spent up to now is 79.9 secs Computing kpt #: 10 total cpu time spent up to now is 84.8 secs Computing kpt #: 11 total cpu time spent up to now is 89.1 secs Computing kpt #: 12 total cpu time spent up to now is 93.4 secs Computing kpt #: 13 total cpu time spent up to now is 97.9 secs Computing kpt #: 14 total cpu time spent up to now is 102.0 secs Computing kpt #: 15 total cpu time spent up to now is 106.3 secs Computing kpt #: 16 total cpu time spent up to now is 110.5 secs Computing kpt #: 17 total cpu time spent up to now is 114.7 secs Computing kpt #: 18 total cpu time spent up to now is 118.9 secs Computing kpt #: 19 total cpu time spent up to now is 123.1 secs Computing kpt #: 20 total cpu time spent up to now is 127.3 secs Computing kpt #: 21 total cpu time spent up to now is 131.4 secs Computing kpt #: 22 total cpu time spent up to now is 135.6 secs Computing kpt #: 23 total cpu time spent up to now is 139.7 secs Computing kpt #: 24 total cpu time spent up to now is 143.9 secs Computing kpt #: 25 total cpu time spent up to now is 147.9 secs Computing kpt #: 26 total cpu time spent up to now is 152.0 secs Computing kpt #: 27 total cpu time spent up to now is 155.9 secs Computing kpt #: 28 total cpu time spent up to now is 159.9 secs Computing kpt #: 29 total cpu time spent up to now is 163.8 secs Computing kpt #: 30 total cpu time spent up to now is 168.0 secs Computing kpt #: 31 total cpu time spent up to now is 172.1 secs Computing kpt #: 32 total cpu time spent up to now is 176.2 secs Computing kpt #: 33 total cpu time spent up to now is 180.3 secs Computing kpt #: 34 total cpu time spent up to now is 184.4 secs Computing kpt #: 35 total cpu time spent up to now is 188.5 secs Computing kpt #: 36 total cpu time spent up to now is 192.8 secs Computing kpt #: 37 total cpu time spent up to now is 197.2 secs Computing kpt #: 38 total cpu time spent up to now is 201.9 secs Computing kpt #: 39 total cpu time spent up to now is 206.8 secs Computing kpt #: 40 total cpu time spent up to now is 211.5 secs Computing kpt #: 41 total cpu time spent up to now is 216.3 secs Computing kpt #: 42 total cpu time spent up to now is 220.9 secs Computing kpt #: 43 total cpu time spent up to now is 225.9 secs Computing kpt #: 44 total cpu time spent up to now is 230.8 secs Computing kpt #: 45 total cpu time spent up to now is 235.2 secs Computing kpt #: 46 total cpu time spent up to now is 239.5 secs Computing kpt #: 47 total cpu time spent up to now is 244.2 secs Computing kpt #: 48 total cpu time spent up to now is 248.4 secs Computing kpt #: 49 total cpu time spent up to now is 252.5 secs Computing kpt #: 50 total cpu time spent up to now is 256.7 secs Computing kpt #: 51 total cpu time spent up to now is 260.8 secs Computing kpt #: 52 total cpu time spent up to now is 265.0 secs Computing kpt #: 53 total cpu time spent up to now is 269.1 secs Computing kpt #: 54 total cpu time spent up to now is 273.2 secs Computing kpt #: 55 total cpu time spent up to now is 278.0 secs Computing kpt #: 56 total cpu time spent up to now is 281.8 secs Computing kpt #: 57 total cpu time spent up to now is 285.4 secs Computing kpt #: 58 total cpu time spent up to now is 289.2 secs Computing kpt #: 59 total cpu time spent up to now is 293.0 secs Computing kpt #: 60 total cpu time spent up to now is 296.9 secs Computing kpt #: 61 total cpu time spent up to now is 300.8 secs Computing kpt #: 62 total cpu time spent up to now is 304.5 secs Computing kpt #: 63 total cpu time spent up to now is 308.3 secs Computing kpt #: 64 total cpu time spent up to now is 312.1 secs Computing kpt #: 65 total cpu time spent up to now is 315.9 secs Computing kpt #: 66 total cpu time spent up to now is 319.7 secs Computing kpt #: 67 total cpu time spent up to now is 323.7 secs Computing kpt #: 68 total cpu time spent up to now is 327.5 secs Computing kpt #: 69 total cpu time spent up to now is 331.4 secs Computing kpt #: 70 total cpu time spent up to now is 335.3 secs Computing kpt #: 71 total cpu time spent up to now is 339.2 secs Computing kpt #: 72 total cpu time spent up to now is 343.1 secs Computing kpt #: 73 total cpu time spent up to now is 347.2 secs Computing kpt #: 74 total cpu time spent up to now is 351.2 secs Computing kpt #: 75 total cpu time spent up to now is 355.2 secs Computing kpt #: 76 total cpu time spent up to now is 359.2 secs Computing kpt #: 77 total cpu time spent up to now is 363.2 secs Computing kpt #: 78 total cpu time spent up to now is 367.2 secs Computing kpt #: 79 total cpu time spent up to now is 371.3 secs Computing kpt #: 80 total cpu time spent up to now is 375.3 secs Computing kpt #: 81 total cpu time spent up to now is 379.4 secs Computing kpt #: 82 total cpu time spent up to now is 383.4 secs Computing kpt #: 83 total cpu time spent up to now is 387.5 secs Computing kpt #: 84 total cpu time spent up to now is 391.7 secs Computing kpt #: 85 total cpu time spent up to now is 396.0 secs Computing kpt #: 86 total cpu time spent up to now is 400.4 secs Computing kpt #: 87 total cpu time spent up to now is 404.4 secs Computing kpt #: 88 total cpu time spent up to now is 408.5 secs Computing kpt #: 89 total cpu time spent up to now is 412.7 secs Computing kpt #: 90 total cpu time spent up to now is 416.7 secs Computing kpt #: 91 total cpu time spent up to now is 420.5 secs Computing kpt #: 92 total cpu time spent up to now is 424.4 secs Computing kpt #: 93 total cpu time spent up to now is 428.5 secs Computing kpt #: 94 total cpu time spent up to now is 432.5 secs Computing kpt #: 95 total cpu time spent up to now is 436.7 secs Computing kpt #: 96 total cpu time spent up to now is 441.0 secs Computing kpt #: 97 total cpu time spent up to now is 444.9 secs Computing kpt #: 98 total cpu time spent up to now is 448.9 secs Computing kpt #: 99 total cpu time spent up to now is 452.9 secs Computing kpt #: 100 total cpu time spent up to now is 456.8 secs Computing kpt #: 101 total cpu time spent up to now is 460.8 secs Computing kpt #: 102 total cpu time spent up to now is 464.8 secs Computing kpt #: 103 total cpu time spent up to now is 468.8 secs Computing kpt #: 104 total cpu time spent up to now is 472.9 secs Computing kpt #: 105 total cpu time spent up to now is 477.0 secs Computing kpt #: 106 total cpu time spent up to now is 481.1 secs Computing kpt #: 107 total cpu time spent up to now is 485.3 secs Computing kpt #: 108 total cpu time spent up to now is 489.6 secs Computing kpt #: 109 total cpu time spent up to now is 493.8 secs Computing kpt #: 110 total cpu time spent up to now is 497.9 secs Computing kpt #: 111 total cpu time spent up to now is 502.0 secs Computing kpt #: 112 total cpu time spent up to now is 506.2 secs Computing kpt #: 113 total cpu time spent up to now is 510.4 secs Computing kpt #: 114 total cpu time spent up to now is 514.4 secs Computing kpt #: 115 total cpu time spent up to now is 518.4 secs Computing kpt #: 116 total cpu time spent up to now is 522.4 secs Computing kpt #: 117 total cpu time spent up to now is 526.5 secs Computing kpt #: 118 total cpu time spent up to now is 530.5 secs Computing kpt #: 119 total cpu time spent up to now is 534.4 secs Computing kpt #: 120 total cpu time spent up to now is 538.4 secs Computing kpt #: 121 total cpu time spent up to now is 542.4 secs Computing kpt #: 122 total cpu time spent up to now is 547.1 secs Computing kpt #: 123 total cpu time spent up to now is 551.8 secs Computing kpt #: 124 total cpu time spent up to now is 556.8 secs Computing kpt #: 125 total cpu time spent up to now is 562.8 secs Computing kpt #: 126 total cpu time spent up to now is 567.0 secs Computing kpt #: 127 total cpu time spent up to now is 571.2 secs Computing kpt #: 128 total cpu time spent up to now is 575.4 secs Computing kpt #: 129 total cpu time spent up to now is 579.3 secs Computing kpt #: 130 total cpu time spent up to now is 583.4 secs Computing kpt #: 131 total cpu time spent up to now is 587.4 secs Computing kpt #: 132 total cpu time spent up to now is 591.5 secs Computing kpt #: 133 total cpu time spent up to now is 595.7 secs Computing kpt #: 134 total cpu time spent up to now is 599.7 secs Computing kpt #: 135 total cpu time spent up to now is 603.6 secs Computing kpt #: 136 total cpu time spent up to now is 607.5 secs Computing kpt #: 137 total cpu time spent up to now is 611.4 secs Computing kpt #: 138 total cpu time spent up to now is 615.3 secs Computing kpt #: 139 total cpu time spent up to now is 619.2 secs Computing kpt #: 140 total cpu time spent up to now is 623.3 secs Computing kpt #: 141 total cpu time spent up to now is 627.2 secs Computing kpt #: 142 total cpu time spent up to now is 631.1 secs Computing kpt #: 143 total cpu time spent up to now is 635.1 secs Computing kpt #: 144 total cpu time spent up to now is 639.0 secs Computing kpt #: 145 total cpu time spent up to now is 643.0 secs Computing kpt #: 146 total cpu time spent up to now is 646.9 secs Computing kpt #: 147 total cpu time spent up to now is 650.9 secs Computing kpt #: 148 total cpu time spent up to now is 654.9 secs Computing kpt #: 149 total cpu time spent up to now is 658.9 secs Computing kpt #: 150 total cpu time spent up to now is 663.1 secs Computing kpt #: 151 total cpu time spent up to now is 667.1 secs Computing kpt #: 152 total cpu time spent up to now is 671.3 secs Computing kpt #: 153 total cpu time spent up to now is 675.4 secs Computing kpt #: 154 total cpu time spent up to now is 679.6 secs Computing kpt #: 155 total cpu time spent up to now is 684.1 secs Computing kpt #: 156 total cpu time spent up to now is 688.3 secs Computing kpt #: 157 total cpu time spent up to now is 692.6 secs Computing kpt #: 158 total cpu time spent up to now is 696.7 secs Computing kpt #: 159 total cpu time spent up to now is 700.8 secs Computing kpt #: 160 total cpu time spent up to now is 704.9 secs Computing kpt #: 161 total cpu time spent up to now is 708.9 secs Computing kpt #: 162 total cpu time spent up to now is 713.1 secs Computing kpt #: 163 total cpu time spent up to now is 717.2 secs Computing kpt #: 164 total cpu time spent up to now is 721.1 secs Computing kpt #: 165 total cpu time spent up to now is 725.0 secs Computing kpt #: 166 total cpu time spent up to now is 729.0 secs Computing kpt #: 167 total cpu time spent up to now is 733.0 secs Computing kpt #: 168 total cpu time spent up to now is 737.0 secs Computing kpt #: 169 total cpu time spent up to now is 741.1 secs Computing kpt #: 170 total cpu time spent up to now is 745.1 secs Computing kpt #: 171 total cpu time spent up to now is 749.4 secs Computing kpt #: 172 total cpu time spent up to now is 753.5 secs Computing kpt #: 173 total cpu time spent up to now is 757.6 secs Computing kpt #: 174 total cpu time spent up to now is 761.8 secs Computing kpt #: 175 total cpu time spent up to now is 765.9 secs Computing kpt #: 176 total cpu time spent up to now is 770.1 secs Computing kpt #: 177 total cpu time spent up to now is 774.3 secs Computing kpt #: 178 total cpu time spent up to now is 778.4 secs Computing kpt #: 179 total cpu time spent up to now is 782.7 secs Computing kpt #: 180 total cpu time spent up to now is 786.7 secs Computing kpt #: 181 total cpu time spent up to now is 790.8 secs Computing kpt #: 182 total cpu time spent up to now is 795.1 secs Computing kpt #: 183 total cpu time spent up to now is 799.1 secs Computing kpt #: 184 total cpu time spent up to now is 803.2 secs Computing kpt #: 185 total cpu time spent up to now is 807.1 secs Computing kpt #: 186 total cpu time spent up to now is 811.0 secs Computing kpt #: 187 total cpu time spent up to now is 814.9 secs Computing kpt #: 188 total cpu time spent up to now is 818.8 secs Computing kpt #: 189 total cpu time spent up to now is 822.8 secs Computing kpt #: 190 total cpu time spent up to now is 826.6 secs Computing kpt #: 191 total cpu time spent up to now is 830.7 secs Computing kpt #: 192 total cpu time spent up to now is 834.5 secs Computing kpt #: 193 total cpu time spent up to now is 838.5 secs Computing kpt #: 194 total cpu time spent up to now is 842.6 secs Computing kpt #: 195 total cpu time spent up to now is 846.5 secs Computing kpt #: 196 total cpu time spent up to now is 850.6 secs Computing kpt #: 197 total cpu time spent up to now is 854.5 secs Computing kpt #: 198 total cpu time spent up to now is 858.5 secs Computing kpt #: 199 total cpu time spent up to now is 862.6 secs Computing kpt #: 200 total cpu time spent up to now is 866.5 secs Computing kpt #: 201 total cpu time spent up to now is 870.6 secs Computing kpt #: 202 total cpu time spent up to now is 874.5 secs Computing kpt #: 203 total cpu time spent up to now is 878.5 secs Computing kpt #: 204 total cpu time spent up to now is 882.4 secs Computing kpt #: 205 total cpu time spent up to now is 886.5 secs Computing kpt #: 206 total cpu time spent up to now is 890.5 secs Computing kpt #: 207 total cpu time spent up to now is 894.6 secs Computing kpt #: 208 total cpu time spent up to now is 898.7 secs Computing kpt #: 209 total cpu time spent up to now is 902.7 secs Computing kpt #: 210 total cpu time spent up to now is 906.7 secs Computing kpt #: 211 total cpu time spent up to now is 910.9 secs Computing kpt #: 212 total cpu time spent up to now is 915.0 secs Computing kpt #: 213 total cpu time spent up to now is 919.0 secs Computing kpt #: 214 total cpu time spent up to now is 923.0 secs ethr = 2.08E-11, avg # of iterations = 32.3 total cpu time spent up to now is 923.1 secs End of band structure calculation k = 0.0000-0.4561-0.1838 ( 14436 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7809 -16.7809 -16.1580 -16.1580 -15.0767 -15.0767 -14.4839 -14.4839 -6.7268 -6.7268 -5.8051 -5.8051 -4.7899 -4.7899 -4.6144 -4.6144 -4.4901 -4.4901 -4.0808 -4.0808 -3.8712 -3.8712 -3.2261 -3.2261 -3.0604 -3.0604 -2.9639 -2.9639 -2.4671 -2.4671 -1.3828 -1.3828 1.9086 1.9086 3.4940 3.4940 4.1973 4.1973 4.5552 4.5552 4.6565 4.6565 k = 0.0000-0.4386-0.1767 ( 14444 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7809 -16.7809 -16.1579 -16.1579 -15.0767 -15.0767 -14.4839 -14.4839 -6.7266 -6.7266 -5.8061 -5.8061 -4.7894 -4.7894 -4.6144 -4.6144 -4.4903 -4.4903 -4.0802 -4.0802 -3.8707 -3.8707 -3.2264 -3.2264 -3.0602 -3.0602 -2.9638 -2.9638 -2.4674 -2.4674 -1.3825 -1.3825 1.9047 1.9047 3.4989 3.4989 4.1969 4.1969 4.5382 4.5382 4.6744 4.6744 k = 0.0000-0.4211-0.1696 ( 14447 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7811 -16.7811 -16.1578 -16.1578 -15.0767 -15.0767 -14.4839 -14.4839 -6.7260 -6.7260 -5.8089 -5.8089 -4.7879 -4.7879 -4.6143 -4.6143 -4.4909 -4.4909 -4.0784 -4.0784 -3.8693 -3.8693 -3.2275 -3.2275 -3.0597 -3.0597 -2.9636 -2.9636 -2.4683 -2.4683 -1.3819 -1.3819 1.8930 1.8930 3.5133 3.5133 4.1959 4.1959 4.5038 4.5038 4.7114 4.7114 k = 0.0000-0.4035-0.1626 ( 14454 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7813 -16.7813 -16.1575 -16.1575 -15.0767 -15.0767 -14.4839 -14.4839 -6.7250 -6.7250 -5.8137 -5.8137 -4.7855 -4.7855 -4.6141 -4.6141 -4.4917 -4.4917 -4.0755 -4.0755 -3.8669 -3.8669 -3.2293 -3.2293 -3.0587 -3.0587 -2.9632 -2.9632 -2.4699 -2.4699 -1.3808 -1.3808 1.8740 1.8740 3.5366 3.5366 4.1943 4.1943 4.4659 4.4659 4.7536 4.7536 k = 0.0000-0.3860-0.1555 ( 14450 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7816 -16.7816 -16.1572 -16.1572 -15.0766 -15.0766 -14.4839 -14.4839 -6.7236 -6.7236 -5.8202 -5.8202 -4.7824 -4.7824 -4.6137 -4.6137 -4.4925 -4.4925 -4.0716 -4.0716 -3.8637 -3.8637 -3.2319 -3.2319 -3.0575 -3.0575 -2.9628 -2.9628 -2.4720 -2.4720 -1.3793 -1.3793 1.8486 1.8486 3.5676 3.5676 4.1921 4.1921 4.4284 4.4284 4.7969 4.7969 k = 0.0000-0.3684-0.1484 ( 14453 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7820 -16.7820 -16.1567 -16.1567 -15.0765 -15.0765 -14.4839 -14.4839 -6.7218 -6.7218 -5.8282 -5.8282 -4.7791 -4.7791 -4.6131 -4.6131 -4.4932 -4.4932 -4.0668 -4.0668 -3.8595 -3.8595 -3.2351 -3.2351 -3.0558 -3.0558 -2.9622 -2.9622 -2.4746 -2.4746 -1.3774 -1.3774 1.8177 1.8177 3.6050 3.6050 4.1894 4.1894 4.3928 4.3928 4.8378 4.8378 k = 0.0000-0.3509-0.1414 ( 14448 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7825 -16.7825 -16.1562 -16.1562 -15.0764 -15.0764 -14.4840 -14.4840 -6.7196 -6.7196 -5.8377 -5.8377 -4.7757 -4.7757 -4.6123 -4.6123 -4.4935 -4.4935 -4.0613 -4.0613 -3.8545 -3.8545 -3.2389 -3.2389 -3.0539 -3.0539 -2.9614 -2.9614 -2.4778 -2.4778 -1.3752 -1.3752 1.7823 1.7823 3.6470 3.6470 4.1866 4.1866 4.3602 4.3602 4.8570 4.8570 k = 0.0000-0.3333-0.1343 ( 14458 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7830 -16.7830 -16.1556 -16.1556 -15.0762 -15.0762 -14.4840 -14.4840 -6.7171 -6.7171 -5.8484 -5.8484 -4.7728 -4.7728 -4.6112 -4.6112 -4.4931 -4.4931 -4.0552 -4.0552 -3.8487 -3.8487 -3.2433 -3.2433 -3.0517 -3.0517 -2.9606 -2.9606 -2.4814 -2.4814 -1.3726 -1.3726 1.7434 1.7434 3.6915 3.6915 4.1843 4.1843 4.3310 4.3310 4.8316 4.8316 k = 0.0000-0.3158-0.1272 ( 14468 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8327 -43.8327 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7836 -16.7836 -16.1550 -16.1550 -15.0761 -15.0761 -14.4841 -14.4841 -6.7143 -6.7143 -5.8601 -5.8601 -4.7707 -4.7707 -4.6096 -4.6096 -4.4918 -4.4918 -4.0486 -4.0486 -3.8423 -3.8423 -3.2483 -3.2483 -3.0493 -3.0493 -2.9596 -2.9596 -2.4855 -2.4855 -1.3697 -1.3697 1.7020 1.7020 3.7357 3.7357 4.1839 4.1839 4.3059 4.3059 4.7992 4.7992 k = 0.0000-0.2982-0.1202 ( 14464 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8327 -43.8327 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7842 -16.7842 -16.1543 -16.1543 -15.0760 -15.0760 -14.4841 -14.4841 -6.7112 -6.7112 -5.8726 -5.8726 -4.7695 -4.7695 -4.6078 -4.6078 -4.4893 -4.4893 -4.0418 -4.0418 -3.8351 -3.8351 -3.2538 -3.2538 -3.0467 -3.0467 -2.9584 -2.9584 -2.4899 -2.4899 -1.3666 -1.3666 1.6589 1.6589 3.7765 3.7765 4.1874 4.1874 4.2849 4.2849 4.7673 4.7673 k = 0.0000-0.2807-0.1131 ( 14464 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7849 -16.7849 -16.1535 -16.1535 -15.0758 -15.0758 -14.4842 -14.4842 -6.7078 -6.7078 -5.8857 -5.8857 -4.7696 -4.7696 -4.6056 -4.6056 -4.4856 -4.4856 -4.0347 -4.0347 -3.8275 -3.8275 -3.2597 -3.2597 -3.0439 -3.0439 -2.9572 -2.9572 -2.4945 -2.4945 -1.3632 -1.3632 1.6149 1.6149 3.8102 3.8102 4.1970 4.1970 4.2685 4.2685 4.7375 4.7375 k = 0.0000-0.2632-0.1060 ( 14469 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7856 -16.7856 -16.1527 -16.1527 -15.0756 -15.0756 -14.4842 -14.4842 -6.7042 -6.7042 -5.8992 -5.8992 -4.7708 -4.7708 -4.6033 -4.6033 -4.4806 -4.4806 -4.0276 -4.0276 -3.8193 -3.8193 -3.2660 -3.2660 -3.0411 -3.0411 -2.9558 -2.9558 -2.4994 -2.4994 -1.3597 -1.3597 1.5707 1.5707 3.8337 3.8337 4.2115 4.2115 4.2594 4.2594 4.7110 4.7110 k = 0.0000-0.2456-0.0990 ( 14467 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7864 -16.7864 -16.1519 -16.1519 -15.0754 -15.0754 -14.4843 -14.4843 -6.7005 -6.7005 -5.9129 -5.9129 -4.7733 -4.7733 -4.6009 -4.6009 -4.4743 -4.4743 -4.0206 -4.0206 -3.8109 -3.8109 -3.2726 -3.2726 -3.0382 -3.0382 -2.9543 -2.9543 -2.5044 -2.5044 -1.3561 -1.3561 1.5268 1.5268 3.8461 3.8461 4.2185 4.2185 4.2695 4.2695 4.6891 4.6891 k = 0.0000-0.2281-0.0919 ( 14469 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7871 -16.7871 -16.1511 -16.1511 -15.0753 -15.0753 -14.4844 -14.4844 -6.6966 -6.6966 -5.9265 -5.9265 -4.7767 -4.7767 -4.5985 -4.5985 -4.4668 -4.4668 -4.0136 -4.0136 -3.8022 -3.8022 -3.2794 -3.2794 -3.0353 -3.0353 -2.9527 -2.9527 -2.5095 -2.5095 -1.3524 -1.3524 1.4838 1.4838 3.8487 3.8487 4.2125 4.2125 4.3003 4.3003 4.6738 4.6738 k = 0.0000-0.2105-0.0848 ( 14471 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8007 -43.8007 -16.7878 -16.7878 -16.1503 -16.1503 -15.0751 -15.0751 -14.4844 -14.4844 -6.6927 -6.6927 -5.9400 -5.9400 -4.7809 -4.7809 -4.5962 -4.5962 -4.4585 -4.4585 -4.0069 -4.0069 -3.7934 -3.7934 -3.2863 -3.2863 -3.0324 -3.0324 -2.9510 -2.9510 -2.5145 -2.5145 -1.3486 -1.3486 1.4423 1.4423 3.8441 3.8441 4.2028 4.2028 4.3367 4.3367 4.6678 4.6678 k = 0.0000-0.1930-0.0778 ( 14473 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8007 -43.8007 -16.7886 -16.7886 -16.1495 -16.1495 -15.0749 -15.0749 -14.4845 -14.4845 -6.6887 -6.6887 -5.9530 -5.9530 -4.7857 -4.7857 -4.5942 -4.5942 -4.4496 -4.4496 -4.0004 -4.0004 -3.7847 -3.7847 -3.2933 -3.2933 -3.0296 -3.0296 -2.9493 -2.9493 -2.5195 -2.5195 -1.3450 -1.3450 1.4026 1.4026 3.8351 3.8351 4.1922 4.1922 4.3690 4.3690 4.6742 4.6742 k = 0.0000-0.1754-0.0707 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7893 -16.7893 -16.1487 -16.1487 -15.0747 -15.0747 -14.4846 -14.4846 -6.6848 -6.6848 -5.9656 -5.9656 -4.7909 -4.7909 -4.5923 -4.5923 -4.4403 -4.4403 -3.9943 -3.9943 -3.7761 -3.7761 -3.3002 -3.3002 -3.0270 -3.0270 -2.9475 -2.9475 -2.5244 -2.5244 -1.3414 -1.3414 1.3650 1.3650 3.8237 3.8237 4.1816 4.1816 4.3917 4.3917 4.6951 4.6951 k = 0.0000-0.1579-0.0636 ( 14474 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7899 -16.7899 -16.1480 -16.1480 -15.0746 -15.0746 -14.4846 -14.4846 -6.6810 -6.6810 -5.9774 -5.9774 -4.7961 -4.7961 -4.5906 -4.5906 -4.4309 -4.4309 -3.9885 -3.9885 -3.7678 -3.7678 -3.3069 -3.3069 -3.0245 -3.0245 -2.9457 -2.9457 -2.5290 -2.5290 -1.3379 -1.3379 1.3300 1.3300 3.8112 3.8112 4.1709 4.1709 4.4037 4.4037 4.7284 4.7284 k = 0.0000-0.1404-0.0565 ( 14470 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7906 -16.7906 -16.1473 -16.1473 -15.0744 -15.0744 -14.4847 -14.4847 -6.6773 -6.6773 -5.9884 -5.9884 -4.8013 -4.8013 -4.5892 -4.5892 -4.4218 -4.4218 -3.9832 -3.9832 -3.7599 -3.7599 -3.3134 -3.3134 -3.0223 -3.0223 -2.9440 -2.9440 -2.5333 -2.5333 -1.3347 -1.3347 1.2979 1.2979 3.7986 3.7986 4.1605 4.1605 4.4074 4.4074 4.7682 4.7682 k = 0.0000-0.1228-0.0495 ( 14463 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7911 -16.7911 -16.1467 -16.1467 -15.0743 -15.0743 -14.4847 -14.4847 -6.6739 -6.6739 -5.9985 -5.9985 -4.8062 -4.8062 -4.5879 -4.5879 -4.4132 -4.4132 -3.9784 -3.9784 -3.7525 -3.7525 -3.3194 -3.3194 -3.0203 -3.0203 -2.9423 -2.9423 -2.5373 -2.5373 -1.3316 -1.3316 1.2689 1.2689 3.7865 3.7865 4.1505 4.1505 4.4063 4.4063 4.8073 4.8073 k = 0.0000-0.1053-0.0424 ( 14465 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7916 -16.7916 -16.1461 -16.1461 -15.0741 -15.0741 -14.4848 -14.4848 -6.6708 -6.6708 -6.0075 -6.0075 -4.8108 -4.8108 -4.5868 -4.5868 -4.4053 -4.4053 -3.9741 -3.9741 -3.7459 -3.7459 -3.3250 -3.3250 -3.0185 -3.0185 -2.9407 -2.9407 -2.5408 -2.5408 -1.3289 -1.3289 1.2432 1.2432 3.7755 3.7755 4.1412 4.1412 4.4028 4.4028 4.8398 4.8398 k = 0.0000-0.0877-0.0353 ( 14470 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7921 -16.7921 -16.1456 -16.1456 -15.0740 -15.0740 -14.4848 -14.4848 -6.6680 -6.6680 -6.0153 -6.0153 -4.8149 -4.8149 -4.5859 -4.5859 -4.3983 -4.3983 -3.9704 -3.9704 -3.7400 -3.7400 -3.3299 -3.3299 -3.0170 -3.0170 -2.9392 -2.9392 -2.5440 -2.5440 -1.3266 -1.3266 1.2212 1.2212 3.7658 3.7658 4.1328 4.1328 4.3986 4.3986 4.8628 4.8628 k = 0.0000-0.0702-0.0283 ( 14469 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7925 -16.7925 -16.1452 -16.1452 -15.0739 -15.0739 -14.4848 -14.4848 -6.6657 -6.6657 -6.0218 -6.0218 -4.8183 -4.8183 -4.5851 -4.5851 -4.3924 -4.3924 -3.9673 -3.9673 -3.7350 -3.7350 -3.3341 -3.3341 -3.0157 -3.0157 -2.9380 -2.9380 -2.5466 -2.5466 -1.3246 -1.3246 1.2028 1.2028 3.7577 3.7577 4.1255 4.1255 4.3944 4.3944 4.8770 4.8770 k = 0.0000-0.0526-0.0212 ( 14481 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7928 -16.7928 -16.1448 -16.1448 -15.0739 -15.0739 -14.4849 -14.4849 -6.6638 -6.6638 -6.0270 -6.0270 -4.8211 -4.8211 -4.5846 -4.5846 -4.3877 -4.3877 -3.9649 -3.9649 -3.7310 -3.7310 -3.3375 -3.3375 -3.0147 -3.0147 -2.9370 -2.9370 -2.5486 -2.5486 -1.3230 -1.3230 1.1884 1.1884 3.7512 3.7512 4.1197 4.1197 4.3909 4.3909 4.8849 4.8849 k = 0.0000-0.0351-0.0141 ( 14479 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7930 -16.7930 -16.1446 -16.1446 -15.0738 -15.0738 -14.4849 -14.4849 -6.6624 -6.6624 -6.0307 -6.0307 -4.8231 -4.8231 -4.5842 -4.5842 -4.3842 -4.3842 -3.9631 -3.9631 -3.7281 -3.7281 -3.3400 -3.3400 -3.0140 -3.0140 -2.9363 -2.9363 -2.5501 -2.5501 -1.3218 -1.3218 1.1781 1.1781 3.7465 3.7465 4.1153 4.1153 4.3883 4.3883 4.8891 4.8891 k = 0.0000-0.0175-0.0071 ( 14478 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1445 -16.1445 -15.0738 -15.0738 -14.4849 -14.4849 -6.6616 -6.6616 -6.0330 -6.0330 -4.8243 -4.8243 -4.5839 -4.5839 -4.3821 -4.3821 -3.9620 -3.9620 -3.7263 -3.7263 -3.3415 -3.3415 -3.0136 -3.0136 -2.9358 -2.9358 -2.5511 -2.5511 -1.3211 -1.3211 1.1718 1.1718 3.7436 3.7436 4.1127 4.1127 4.3866 4.3866 4.8910 4.8910 k = 0.0000 0.0000 0.0000 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7932 -16.7932 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6613 -6.6613 -6.0337 -6.0337 -4.8247 -4.8247 -4.5838 -4.5838 -4.3814 -4.3814 -3.9617 -3.9617 -3.7257 -3.7257 -3.3420 -3.3420 -3.0135 -3.0135 -2.9356 -2.9356 -2.5514 -2.5514 -1.3209 -1.3209 1.1697 1.1697 3.7427 3.7427 4.1118 4.1118 4.3861 4.3861 4.8915 4.8915 k = 0.0000 0.0000 0.0000 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7932 -16.7932 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6613 -6.6613 -6.0337 -6.0337 -4.8247 -4.8247 -4.5838 -4.5838 -4.3814 -4.3814 -3.9617 -3.9617 -3.7257 -3.7257 -3.3420 -3.3420 -3.0135 -3.0135 -2.9356 -2.9356 -2.5514 -2.5514 -1.3209 -1.3209 1.1697 1.1697 3.7427 3.7427 4.1118 4.1118 4.3861 4.3861 4.8915 4.8915 k = 0.0185-0.0016 0.0041 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1443 -16.1443 -15.0738 -15.0738 -14.4851 -14.4851 -6.6616 -6.6616 -6.0324 -6.0324 -4.8245 -4.8245 -4.5839 -4.5839 -4.3812 -4.3812 -3.9639 -3.9639 -3.7260 -3.7260 -3.3401 -3.3401 -3.0135 -3.0135 -2.9358 -2.9358 -2.5512 -2.5512 -1.3228 -1.3228 1.1728 1.1728 3.7424 3.7424 4.1115 4.1115 4.3841 4.3841 4.8915 4.8915 k = 0.0370-0.0033 0.0083 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1441 -16.1441 -15.0738 -15.0738 -14.4857 -14.4857 -6.6624 -6.6624 -6.0286 -6.0286 -4.8240 -4.8240 -4.5840 -4.5840 -4.3805 -4.3805 -3.9705 -3.9705 -3.7270 -3.7270 -3.3346 -3.3346 -3.0137 -3.0137 -2.9362 -2.9362 -2.5509 -2.5509 -1.3286 -1.3286 1.1820 1.1820 3.7415 3.7415 4.1106 4.1106 4.3784 4.3784 4.8916 4.8916 k = 0.0556-0.0049 0.0124 ( 14482 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7929 -16.7929 -16.1436 -16.1436 -15.0738 -15.0738 -14.4868 -14.4868 -6.6638 -6.6638 -6.0222 -6.0222 -4.8231 -4.8231 -4.5843 -4.5843 -4.3794 -4.3794 -3.9812 -3.9812 -3.7285 -3.7285 -3.3256 -3.3256 -3.0139 -3.0139 -2.9370 -2.9370 -2.5503 -2.5503 -1.3381 -1.3381 1.1972 1.1972 3.7399 3.7399 4.1092 4.1092 4.3692 4.3692 4.8921 4.8921 k = 0.0741-0.0065 0.0166 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7927 -16.7927 -16.1430 -16.1430 -15.0739 -15.0739 -14.4882 -14.4882 -6.6656 -6.6656 -6.0134 -6.0134 -4.8219 -4.8219 -4.5846 -4.5846 -4.3778 -4.3778 -3.9955 -3.9955 -3.7305 -3.7305 -3.3138 -3.3138 -3.0142 -3.0142 -2.9379 -2.9379 -2.5494 -2.5494 -1.3512 -1.3512 1.2182 1.2182 3.7375 3.7375 4.1073 4.1073 4.3569 4.3569 4.8933 4.8933 k = 0.0926-0.0082 0.0207 ( 14480 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7925 -16.7925 -16.1422 -16.1422 -15.0740 -15.0740 -14.4900 -14.4900 -6.6677 -6.6677 -6.0024 -6.0024 -4.8204 -4.8204 -4.5851 -4.5851 -4.3759 -4.3759 -4.0131 -4.0131 -3.7330 -3.7330 -3.2994 -3.2994 -3.0146 -3.0146 -2.9390 -2.9390 -2.5484 -2.5484 -1.3676 -1.3676 1.2447 1.2447 3.7339 3.7339 4.1049 4.1049 4.3421 4.3421 4.8955 4.8955 k = 0.1111-0.0098 0.0249 ( 14482 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7922 -16.7922 -16.1413 -16.1413 -15.0741 -15.0741 -14.4922 -14.4922 -6.6702 -6.6702 -5.9892 -5.9892 -4.8186 -4.8186 -4.5856 -4.5856 -4.3737 -4.3737 -4.0333 -4.0333 -3.7360 -3.7360 -3.2832 -3.2832 -3.0149 -3.0149 -2.9402 -2.9402 -2.5471 -2.5471 -1.3873 -1.3873 1.2763 1.2763 3.7290 3.7290 4.1019 4.1019 4.3259 4.3259 4.8989 4.8989 k = 0.1296-0.0115 0.0290 ( 14482 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7919 -16.7919 -16.1402 -16.1402 -15.0742 -15.0742 -14.4946 -14.4946 -6.6729 -6.6729 -5.9741 -5.9741 -4.8165 -4.8165 -4.5863 -4.5863 -4.3711 -4.3711 -4.0556 -4.0556 -3.7394 -3.7394 -3.2654 -3.2654 -3.0153 -3.0153 -2.9414 -2.9414 -2.5457 -2.5457 -1.4098 -1.4098 1.3127 1.3127 3.7226 3.7226 4.0981 4.0981 4.3095 4.3095 4.9035 4.9035 k = 0.1481-0.0131 0.0332 ( 14487 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7916 -16.7916 -16.1390 -16.1390 -15.0743 -15.0743 -14.4974 -14.4974 -6.6758 -6.6758 -5.9573 -5.9573 -4.8142 -4.8142 -4.5870 -4.5870 -4.3685 -4.3685 -4.0794 -4.0794 -3.7432 -3.7432 -3.2468 -3.2468 -3.0155 -3.0155 -2.9425 -2.9425 -2.5441 -2.5441 -1.4349 -1.4349 1.3533 1.3533 3.7145 3.7145 4.0927 4.0927 4.2943 4.2943 4.9090 4.9090 k = 0.1667-0.0147 0.0373 ( 14480 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7912 -16.7912 -16.1377 -16.1377 -15.0745 -15.0745 -14.5004 -14.5004 -6.6787 -6.6787 -5.9390 -5.9390 -4.8117 -4.8117 -4.5878 -4.5878 -4.3659 -4.3659 -4.1041 -4.1041 -3.7473 -3.7473 -3.2276 -3.2276 -3.0157 -3.0157 -2.9434 -2.9434 -2.5423 -2.5423 -1.4623 -1.4623 1.3977 1.3977 3.7046 3.7046 4.0850 4.0850 4.2819 4.2819 4.9148 4.9148 k = 0.1852-0.0164 0.0414 ( 14488 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7908 -16.7908 -16.1363 -16.1363 -15.0746 -15.0746 -14.5037 -14.5037 -6.6816 -6.6816 -5.9195 -5.9195 -4.8090 -4.8090 -4.5886 -4.5886 -4.3635 -4.3635 -4.1292 -4.1292 -3.7518 -3.7518 -3.2085 -3.2085 -3.0156 -3.0156 -2.9437 -2.9437 -2.5403 -2.5403 -1.4918 -1.4918 1.4455 1.4455 3.6932 3.6932 4.0742 4.0742 4.2738 4.2738 4.9198 4.9198 k = 0.2037-0.0180 0.0456 ( 14492 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7903 -16.7903 -16.1348 -16.1348 -15.0748 -15.0748 -14.5071 -14.5071 -6.6845 -6.6845 -5.8988 -5.8988 -4.8062 -4.8062 -4.5895 -4.5895 -4.3618 -4.3618 -4.1539 -4.1539 -3.7567 -3.7567 -3.1897 -3.1897 -3.0153 -3.0153 -2.9435 -2.9435 -2.5383 -2.5383 -1.5229 -1.5229 1.4960 1.4960 3.6802 3.6802 4.0598 4.0598 4.2707 4.2707 4.9229 4.9229 k = 0.2222-0.0196 0.0497 ( 14495 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7899 -16.7899 -16.1333 -16.1333 -15.0750 -15.0750 -14.5106 -14.5106 -6.6872 -6.6872 -5.8774 -5.8774 -4.8034 -4.8034 -4.5904 -4.5904 -4.3614 -4.3614 -4.1775 -4.1775 -3.7617 -3.7617 -3.1719 -3.1719 -3.0146 -3.0146 -2.9423 -2.9423 -2.5360 -2.5360 -1.5554 -1.5554 1.5487 1.5487 3.6661 3.6661 4.0419 4.0419 4.2728 4.2728 4.9222 4.9222 k = 0.2407-0.0213 0.0539 ( 14492 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7894 -16.7894 -16.1317 -16.1317 -15.0752 -15.0752 -14.5142 -14.5142 -6.6898 -6.6898 -5.8554 -5.8554 -4.8005 -4.8005 -4.5914 -4.5914 -4.3630 -4.3630 -4.1988 -4.1988 -3.7670 -3.7670 -3.1555 -3.1555 -3.0135 -3.0135 -2.9399 -2.9399 -2.5337 -2.5337 -1.5890 -1.5890 1.6031 1.6031 3.6510 3.6510 4.0214 4.0214 4.2793 4.2793 4.9162 4.9162 k = 0.2593-0.0229 0.0580 ( 14497 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7890 -16.7890 -16.1301 -16.1301 -15.0754 -15.0754 -14.5178 -14.5178 -6.6922 -6.6922 -5.8331 -5.8331 -4.7976 -4.7976 -4.5923 -4.5923 -4.3676 -4.3676 -4.2168 -4.2168 -3.7725 -3.7725 -3.1410 -3.1410 -3.0119 -3.0119 -2.9359 -2.9359 -2.5313 -2.5313 -1.6233 -1.6233 1.6585 1.6585 3.6355 3.6355 3.9991 3.9991 4.2893 4.2893 4.9041 4.9041 k = 0.2778-0.0245 0.0622 ( 14504 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7885 -16.7885 -16.1285 -16.1285 -15.0756 -15.0756 -14.5215 -14.5215 -6.6943 -6.6943 -5.8107 -5.8107 -4.7947 -4.7947 -4.5932 -4.5932 -4.3760 -4.3760 -4.2303 -4.2303 -3.7781 -3.7781 -3.1287 -3.1287 -3.0099 -3.0099 -2.9302 -2.9302 -2.5287 -2.5287 -1.6580 -1.6580 1.7144 1.7144 3.6199 3.6199 3.9757 3.9757 4.3017 4.3017 4.8871 4.8871 k = 0.2963-0.0262 0.0663 ( 14502 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7881 -16.7881 -16.1269 -16.1269 -15.0757 -15.0757 -14.5250 -14.5250 -6.6963 -6.6963 -5.7886 -5.7886 -4.7919 -4.7919 -4.5940 -4.5940 -4.3885 -4.3885 -4.2390 -4.2390 -3.7838 -3.7838 -3.1189 -3.1189 -3.0075 -3.0075 -2.9224 -2.9224 -2.5261 -2.5261 -1.6927 -1.6927 1.7700 1.7700 3.6045 3.6045 3.9520 3.9520 4.3155 4.3155 4.8670 4.8670 k = 0.3148-0.0278 0.0705 ( 14505 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7877 -16.7877 -16.1253 -16.1253 -15.0759 -15.0759 -14.5284 -14.5284 -6.6981 -6.6981 -5.7669 -5.7669 -4.7892 -4.7892 -4.5948 -4.5948 -4.4044 -4.4044 -4.2433 -4.2433 -3.7894 -3.7894 -3.1115 -3.1115 -3.0051 -3.0051 -2.9126 -2.9126 -2.5233 -2.5233 -1.7271 -1.7271 1.8248 1.8248 3.5898 3.5898 3.9283 3.9283 4.3298 4.3298 4.8456 4.8456 k = 0.3333-0.0295 0.0746 ( 14512 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7873 -16.7873 -16.1239 -16.1239 -15.0761 -15.0761 -14.5317 -14.5317 -6.6996 -6.6996 -5.7460 -5.7460 -4.7866 -4.7866 -4.5954 -4.5954 -4.4225 -4.4225 -4.2444 -4.2444 -3.7949 -3.7949 -3.1063 -3.1063 -3.0027 -3.0027 -2.9010 -2.9010 -2.5204 -2.5204 -1.7607 -1.7607 1.8780 1.8780 3.5759 3.5759 3.9053 3.9053 4.3436 4.3436 4.8243 4.8243 k = 0.3519-0.0311 0.0788 ( 14521 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8331 -43.8331 -43.8313 -43.8313 -43.8020 -43.8020 -43.8007 -43.8007 -16.7869 -16.7869 -16.1225 -16.1225 -15.0763 -15.0763 -14.5347 -14.5347 -6.7010 -6.7010 -5.7262 -5.7262 -4.7842 -4.7842 -4.5959 -4.5959 -4.4416 -4.4416 -4.2433 -4.2433 -3.8002 -3.8002 -3.1028 -3.1028 -3.0004 -3.0004 -2.8883 -2.8883 -2.5174 -2.5174 -1.7932 -1.7932 1.9287 1.9287 3.5631 3.5631 3.8831 3.8831 4.3562 4.3562 4.8039 4.8039 k = 0.3704-0.0327 0.0829 ( 14530 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8331 -43.8331 -43.8313 -43.8313 -43.8020 -43.8020 -43.8007 -43.8007 -16.7865 -16.7865 -16.1212 -16.1212 -15.0764 -15.0764 -14.5375 -14.5375 -6.7021 -6.7021 -5.7077 -5.7077 -4.7819 -4.7819 -4.5962 -4.5962 -4.4606 -4.4606 -4.2410 -4.2410 -3.8052 -3.8052 -3.1006 -3.1006 -2.9985 -2.9985 -2.8749 -2.8749 -2.5144 -2.5144 -1.8239 -1.8239 1.9764 1.9764 3.5516 3.5516 3.8623 3.8623 4.3670 4.3670 4.7849 4.7849 k = 0.3889-0.0344 0.0870 ( 14534 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8331 -43.8331 -43.8313 -43.8313 -43.8020 -43.8020 -43.8007 -43.8007 -16.7862 -16.7862 -16.1201 -16.1201 -15.0766 -15.0766 -14.5400 -14.5400 -6.7031 -6.7031 -5.6909 -5.6909 -4.7799 -4.7799 -4.5963 -4.5963 -4.4786 -4.4786 -4.2380 -4.2380 -3.8099 -3.8099 -3.0994 -3.0994 -2.9968 -2.9968 -2.8616 -2.8616 -2.5114 -2.5114 -1.8524 -1.8524 2.0200 2.0200 3.5416 3.5416 3.8431 3.8431 4.3754 4.3754 4.7678 4.7678 k = 0.4074-0.0360 0.0912 ( 14535 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8331 -43.8331 -43.8313 -43.8313 -43.8020 -43.8020 -43.8007 -43.8007 -16.7860 -16.7860 -16.1191 -16.1191 -15.0767 -15.0767 -14.5422 -14.5422 -6.7038 -6.7038 -5.6761 -5.6761 -4.7780 -4.7780 -4.5961 -4.5961 -4.4952 -4.4952 -4.2348 -4.2348 -3.8140 -3.8140 -3.0988 -3.0988 -2.9953 -2.9953 -2.8490 -2.8490 -2.5084 -2.5084 -1.8781 -1.8781 2.0588 2.0588 3.5330 3.5330 3.8259 3.8259 4.3815 4.3815 4.7529 4.7529 k = 0.4259-0.0376 0.0953 ( 14528 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8331 -43.8331 -43.8313 -43.8313 -43.8020 -43.8020 -43.8007 -43.8007 -16.7857 -16.7857 -16.1182 -16.1182 -15.0768 -15.0768 -14.5440 -14.5440 -6.7045 -6.7045 -5.6634 -5.6634 -4.7765 -4.7765 -4.5957 -4.5957 -4.5098 -4.5098 -4.2318 -4.2318 -3.8175 -3.8175 -3.0986 -3.0986 -2.9942 -2.9942 -2.8378 -2.8378 -2.5057 -2.5057 -1.9003 -1.9003 2.0920 2.0920 3.5261 3.5261 3.8110 3.8110 4.3853 4.3853 4.7403 4.7403 k = 0.4444-0.0393 0.0995 ( 14522 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7856 -16.7856 -16.1175 -16.1175 -15.0769 -15.0769 -14.5455 -14.5455 -6.7049 -6.7049 -5.6533 -5.6533 -4.7752 -4.7752 -4.5951 -4.5951 -4.5218 -4.5218 -4.2292 -4.2292 -3.8203 -3.8203 -3.0986 -3.0986 -2.9933 -2.9933 -2.8284 -2.8284 -2.5032 -2.5032 -1.9184 -1.9184 2.1188 2.1188 3.5207 3.5207 3.7990 3.7990 4.3873 4.3873 4.7303 4.7303 k = 0.4630-0.0409 0.1036 ( 14519 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7854 -16.7854 -16.1171 -16.1171 -15.0770 -15.0770 -14.5465 -14.5465 -6.7053 -6.7053 -5.6459 -5.6459 -4.7743 -4.7743 -4.5944 -4.5944 -4.5310 -4.5310 -4.2273 -4.2273 -3.8224 -3.8224 -3.0987 -3.0987 -2.9926 -2.9926 -2.8214 -2.8214 -2.5013 -2.5013 -1.9318 -1.9318 2.1384 2.1384 3.5168 3.5168 3.7901 3.7901 4.3882 4.3882 4.7229 4.7229 k = 0.4815-0.0425 0.1078 ( 14518 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7854 -16.7854 -16.1168 -16.1168 -15.0770 -15.0770 -14.5472 -14.5472 -6.7054 -6.7054 -5.6414 -5.6414 -4.7737 -4.7737 -4.5939 -4.5939 -4.5367 -4.5367 -4.2260 -4.2260 -3.8237 -3.8237 -3.0988 -3.0988 -2.9922 -2.9922 -2.8170 -2.8170 -2.5001 -2.5001 -1.9401 -1.9401 2.1504 2.1504 3.5145 3.5145 3.7846 3.7846 4.3885 4.3885 4.7185 4.7185 k = 0.5000-0.0442 0.1119 ( 14524 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7853 -16.7853 -16.1167 -16.1167 -15.0770 -15.0770 -14.5474 -14.5474 -6.7055 -6.7055 -5.6399 -5.6399 -4.7735 -4.7735 -4.5936 -4.5936 -4.5387 -4.5387 -4.2256 -4.2256 -3.8241 -3.8241 -3.0989 -3.0989 -2.9921 -2.9921 -2.8156 -2.8156 -2.4997 -2.4997 -1.9429 -1.9429 2.1545 2.1545 3.5138 3.5138 3.7827 3.7827 4.3885 4.3885 4.7170 4.7170 k = 0.5000-0.5003-0.0719 ( 14498 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8317 -43.8317 -43.8018 -43.8018 -43.8009 -43.8009 -16.7804 -16.7804 -16.1159 -16.1159 -15.0811 -15.0811 -14.5549 -14.5549 -6.5690 -6.5690 -5.7706 -5.7706 -4.8285 -4.8285 -4.6007 -4.6007 -4.5444 -4.5444 -4.2717 -4.2717 -3.6410 -3.6410 -3.1202 -3.1202 -3.0427 -3.0427 -2.8960 -2.8960 -2.5892 -2.5892 -1.8048 -1.8048 2.8347 2.8347 3.0926 3.0926 4.1783 4.1783 4.2120 4.2120 4.2269 4.2269 k = 0.4865-0.4868-0.0699 ( 14497 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8317 -43.8317 -43.8018 -43.8018 -43.8009 -43.8009 -16.7804 -16.7804 -16.1159 -16.1159 -15.0811 -15.0811 -14.5548 -14.5548 -6.5691 -6.5691 -5.7712 -5.7712 -4.8279 -4.8279 -4.6020 -4.6020 -4.5427 -4.5427 -4.2720 -4.2720 -3.6417 -3.6417 -3.1201 -3.1201 -3.0426 -3.0426 -2.8959 -2.8959 -2.5894 -2.5894 -1.8037 -1.8037 2.8274 2.8274 3.0985 3.0985 4.1753 4.1753 4.2076 4.2076 4.2347 4.2347 k = 0.4730-0.4733-0.0680 ( 14489 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8009 -43.8009 -16.7805 -16.7805 -16.1162 -16.1162 -15.0810 -15.0810 -14.5544 -14.5544 -6.5693 -6.5693 -5.7731 -5.7731 -4.8260 -4.8260 -4.6056 -4.6056 -4.5382 -4.5382 -4.2727 -4.2727 -3.6438 -3.6438 -3.1199 -3.1199 -3.0423 -3.0423 -2.8956 -2.8956 -2.5898 -2.5898 -1.8004 -1.8004 2.8070 2.8070 3.1147 3.1147 4.1668 4.1668 4.2024 4.2024 4.2494 4.2494 k = 0.4595-0.4598-0.0660 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7805 -16.7805 -16.1165 -16.1165 -15.0810 -15.0810 -14.5537 -14.5537 -6.5696 -6.5696 -5.7761 -5.7761 -4.8230 -4.8230 -4.6107 -4.6107 -4.5316 -4.5316 -4.2740 -4.2740 -3.6471 -3.6471 -3.1196 -3.1196 -3.0418 -3.0418 -2.8952 -2.8952 -2.5906 -2.5906 -1.7951 -1.7951 2.7766 2.7766 3.1385 3.1385 4.1550 4.1550 4.1983 4.1983 4.2668 4.2668 k = 0.4459-0.4462-0.0641 ( 14480 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7806 -16.7806 -16.1170 -16.1170 -15.0808 -15.0808 -14.5528 -14.5528 -6.5701 -6.5701 -5.7803 -5.7803 -4.8189 -4.8189 -4.6166 -4.6166 -4.5237 -4.5237 -4.2758 -4.2758 -3.6515 -3.6515 -3.1192 -3.1192 -3.0411 -3.0411 -2.8947 -2.8947 -2.5915 -2.5915 -1.7877 -1.7877 2.7387 2.7387 3.1674 3.1674 4.1411 4.1411 4.1947 4.1947 4.2864 4.2864 k = 0.4324-0.4327-0.0622 ( 14487 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7807 -16.7807 -16.1176 -16.1176 -15.0807 -15.0807 -14.5516 -14.5516 -6.5707 -6.5707 -5.7856 -5.7856 -4.8136 -4.8136 -4.6229 -4.6229 -4.5148 -4.5148 -4.2779 -4.2779 -3.6570 -3.6570 -3.1187 -3.1187 -3.0402 -3.0402 -2.8944 -2.8944 -2.5924 -2.5924 -1.7783 -1.7783 2.6952 2.6952 3.2001 3.2001 4.1256 4.1256 4.1912 4.1912 4.3078 4.3078 k = 0.4189-0.4192-0.0602 ( 14487 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7809 -16.7809 -16.1184 -16.1184 -15.0805 -15.0805 -14.5502 -14.5502 -6.5715 -6.5715 -5.7919 -5.7919 -4.8072 -4.8072 -4.6292 -4.6292 -4.5054 -4.5054 -4.2805 -4.2805 -3.6632 -3.6632 -3.1181 -3.1181 -3.0391 -3.0391 -2.8944 -2.8944 -2.5932 -2.5932 -1.7673 -1.7673 2.6472 2.6472 3.2358 3.2358 4.1087 4.1087 4.1878 4.1878 4.3310 4.3310 k = 0.4054-0.4057-0.0583 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7811 -16.7811 -16.1192 -16.1192 -15.0803 -15.0803 -14.5486 -14.5486 -6.5725 -6.5725 -5.7992 -5.7992 -4.8000 -4.8000 -4.6355 -4.6355 -4.4956 -4.4956 -4.2834 -4.2834 -3.6701 -3.6701 -3.1176 -3.1176 -3.0379 -3.0379 -2.8949 -2.8949 -2.5938 -2.5938 -1.7545 -1.7545 2.5954 2.5954 3.2743 3.2743 4.0905 4.0905 4.1848 4.1848 4.3558 4.3558 k = 0.3919-0.3921-0.0563 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7813 -16.7813 -16.1202 -16.1202 -15.0801 -15.0801 -14.5467 -14.5467 -6.5737 -6.5737 -5.8074 -5.8074 -4.7919 -4.7919 -4.6416 -4.6416 -4.4856 -4.4856 -4.2864 -4.2864 -3.6773 -3.6773 -3.1170 -3.1170 -3.0365 -3.0365 -2.8960 -2.8960 -2.5941 -2.5941 -1.7403 -1.7403 2.5406 2.5406 3.3152 3.3152 4.0711 4.0711 4.1824 4.1824 4.3820 4.3820 k = 0.3784-0.3786-0.0544 ( 14492 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7815 -16.7815 -16.1212 -16.1212 -15.0799 -15.0799 -14.5447 -14.5447 -6.5751 -6.5751 -5.8163 -5.8163 -4.7832 -4.7832 -4.6472 -4.6472 -4.4758 -4.4758 -4.2894 -4.2894 -3.6847 -3.6847 -3.1166 -3.1166 -3.0350 -3.0350 -2.8978 -2.8978 -2.5939 -2.5939 -1.7249 -1.7249 2.4831 2.4831 3.3585 3.3585 4.0506 4.0506 4.1808 4.1808 4.4092 4.4092 k = 0.3649-0.3651-0.0524 ( 14500 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7818 -16.7818 -16.1223 -16.1223 -15.0796 -15.0796 -14.5425 -14.5425 -6.5768 -6.5768 -5.8258 -5.8258 -4.7741 -4.7741 -4.6522 -4.6522 -4.4662 -4.4662 -4.2922 -4.2922 -3.6920 -3.6920 -3.1163 -3.1163 -3.0334 -3.0334 -2.9004 -2.9004 -2.5932 -2.5932 -1.7083 -1.7083 2.4233 2.4233 3.4040 3.4040 4.0295 4.0295 4.1804 4.1804 4.4374 4.4374 k = 0.3514-0.3516-0.0505 ( 14507 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1069 -44.1069 -43.8327 -43.8327 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7821 -16.7821 -16.1235 -16.1235 -15.0794 -15.0794 -14.5401 -14.5401 -6.5787 -6.5787 -5.8359 -5.8359 -4.7651 -4.7651 -4.6561 -4.6561 -4.4573 -4.4573 -4.2943 -4.2943 -3.6992 -3.6992 -3.1163 -3.1163 -3.0317 -3.0317 -2.9038 -2.9038 -2.5920 -2.5920 -1.6907 -1.6907 2.3618 2.3618 3.4516 3.4516 4.0080 4.0080 4.1812 4.1812 4.4662 4.4662 k = 0.3378-0.3381-0.0486 ( 14513 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7824 -16.7824 -16.1247 -16.1247 -15.0791 -15.0791 -14.5375 -14.5375 -6.5809 -6.5809 -5.8465 -5.8465 -4.7568 -4.7568 -4.6586 -4.6586 -4.4493 -4.4493 -4.2956 -4.2956 -3.7061 -3.7061 -3.1165 -3.1165 -3.0298 -3.0298 -2.9080 -2.9080 -2.5903 -2.5903 -1.6724 -1.6724 2.2988 2.2988 3.5009 3.5009 3.9865 3.9865 4.1836 4.1836 4.4953 4.4953 k = 0.3243-0.3245-0.0466 ( 14507 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8019 -43.8019 -43.8008 -43.8008 -16.7828 -16.7828 -16.1260 -16.1260 -15.0788 -15.0788 -14.5349 -14.5349 -6.5833 -6.5833 -5.8574 -5.8574 -4.7498 -4.7498 -4.6589 -4.6589 -4.4428 -4.4428 -4.2953 -4.2953 -3.7124 -3.7124 -3.1171 -3.1171 -3.0280 -3.0280 -2.9129 -2.9129 -2.5882 -2.5882 -1.6534 -1.6534 2.2347 2.2347 3.5517 3.5517 3.9654 3.9654 4.1876 4.1876 4.5243 4.5243 k = 0.3108-0.3110-0.0447 ( 14509 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8019 -43.8019 -43.8008 -43.8008 -16.7832 -16.7832 -16.1273 -16.1273 -15.0785 -15.0785 -14.5321 -14.5321 -6.5861 -6.5861 -5.8685 -5.8685 -4.7450 -4.7450 -4.6564 -4.6564 -4.4379 -4.4379 -4.2932 -4.2932 -3.7182 -3.7182 -3.1182 -3.1182 -3.0262 -3.0262 -2.9184 -2.9184 -2.5856 -2.5856 -1.6340 -1.6340 2.1698 2.1698 3.6034 3.6034 3.9449 3.9449 4.1935 4.1935 4.5530 4.5530 k = 0.2973-0.2975-0.0427 ( 14506 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8019 -43.8019 -43.8008 -43.8008 -16.7836 -16.7836 -16.1285 -16.1285 -15.0782 -15.0782 -14.5292 -14.5292 -6.5891 -6.5891 -5.8798 -5.8798 -4.7429 -4.7429 -4.6507 -4.6507 -4.4351 -4.4351 -4.2888 -4.2888 -3.7234 -3.7234 -3.1199 -3.1199 -3.0244 -3.0244 -2.9241 -2.9241 -2.5828 -2.5828 -1.6142 -1.6142 2.1046 2.1046 3.6553 3.6553 3.9253 3.9253 4.2017 4.2017 4.5807 4.5807 k = 0.2838-0.2840-0.0408 ( 14502 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8019 -43.8019 -43.8008 -43.8008 -16.7841 -16.7841 -16.1298 -16.1298 -15.0778 -15.0778 -14.5263 -14.5263 -6.5924 -6.5924 -5.8911 -5.8911 -4.7433 -4.7433 -4.6422 -4.6422 -4.4343 -4.4343 -4.2819 -4.2819 -3.7279 -3.7279 -3.1224 -3.1224 -3.0227 -3.0227 -2.9299 -2.9299 -2.5798 -2.5798 -1.5942 -1.5942 2.0393 2.0393 3.7067 3.7067 3.9071 3.9071 4.2124 4.2124 4.6069 4.6069 k = 0.2703-0.2704-0.0388 ( 14510 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8019 -43.8019 -43.8008 -43.8008 -16.7846 -16.7846 -16.1311 -16.1311 -15.0775 -15.0775 -14.5234 -14.5234 -6.5959 -6.5959 -5.9024 -5.9024 -4.7456 -4.7456 -4.6317 -4.6317 -4.4351 -4.4351 -4.2727 -4.2727 -3.7317 -3.7317 -3.1258 -3.1258 -3.0213 -3.0213 -2.9355 -2.9355 -2.5767 -2.5767 -1.5742 -1.5742 1.9743 1.9743 3.7562 3.7562 3.8907 3.8907 4.2260 4.2260 4.6306 4.6306 k = 0.2568-0.2569-0.0369 ( 14506 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1068 -44.1068 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7851 -16.7851 -16.1323 -16.1323 -15.0772 -15.0772 -14.5204 -14.5204 -6.5997 -6.5997 -5.9136 -5.9136 -4.7494 -4.7494 -4.6199 -4.6199 -4.4372 -4.4372 -4.2613 -4.2613 -3.7348 -3.7348 -3.1303 -3.1303 -3.0201 -3.0201 -2.9406 -2.9406 -2.5736 -2.5736 -1.5543 -1.5543 1.9098 1.9098 3.8011 3.8011 3.8781 3.8781 4.2430 4.2430 4.6509 4.6509 k = 0.2432-0.2434-0.0350 ( 14503 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1068 -44.1068 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7857 -16.7857 -16.1335 -16.1335 -15.0769 -15.0769 -14.5174 -14.5174 -6.6036 -6.6036 -5.9246 -5.9246 -4.7541 -4.7541 -4.6077 -4.6077 -4.4400 -4.4400 -4.2480 -4.2480 -3.7372 -3.7372 -3.1361 -3.1361 -3.0193 -3.0193 -2.9449 -2.9449 -2.5706 -2.5706 -1.5345 -1.5345 1.8462 1.8462 3.8305 3.8305 3.8791 3.8791 4.2637 4.2637 4.6667 4.6667 k = 0.2297-0.2299-0.0330 ( 14504 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7862 -16.7862 -16.1347 -16.1347 -15.0766 -15.0766 -14.5145 -14.5145 -6.6078 -6.6078 -5.9352 -5.9352 -4.7593 -4.7593 -4.5958 -4.5958 -4.4428 -4.4428 -4.2331 -4.2331 -3.7390 -3.7390 -3.1432 -3.1432 -3.0187 -3.0187 -2.9482 -2.9482 -2.5677 -2.5677 -1.5150 -1.5150 1.7837 1.7837 3.8310 3.8310 3.9063 3.9063 4.2883 4.2883 4.6770 4.6770 k = 0.2162-0.2164-0.0311 ( 14504 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7868 -16.7868 -16.1358 -16.1358 -15.0763 -15.0763 -14.5116 -14.5116 -6.6121 -6.6121 -5.9456 -5.9456 -4.7649 -4.7649 -4.5849 -4.5849 -4.4451 -4.4451 -4.2168 -4.2168 -3.7402 -3.7402 -3.1518 -3.1518 -3.0185 -3.0185 -2.9505 -2.9505 -2.5650 -2.5650 -1.4960 -1.4960 1.7228 1.7228 3.8218 3.8218 3.9396 3.9396 4.3166 4.3166 4.6818 4.6818 k = 0.2027-0.2028-0.0291 ( 14504 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7874 -16.7874 -16.1369 -16.1369 -15.0760 -15.0760 -14.5087 -14.5087 -6.6165 -6.6165 -5.9556 -5.9556 -4.7706 -4.7706 -4.5757 -4.5757 -4.4461 -4.4461 -4.1992 -4.1992 -3.7408 -3.7408 -3.1619 -3.1619 -3.0184 -3.0184 -2.9518 -2.9518 -2.5626 -2.5626 -1.4774 -1.4774 1.6636 1.6636 3.8116 3.8116 3.9700 3.9700 4.3474 4.3474 4.6819 4.6819 k = 0.1892-0.1893-0.0272 ( 14502 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8007 -43.8007 -16.7880 -16.7880 -16.1378 -16.1378 -15.0758 -15.0758 -14.5060 -14.5060 -6.6210 -6.6210 -5.9651 -5.9651 -4.7764 -4.7764 -4.5686 -4.5686 -4.4455 -4.4455 -4.1807 -4.1807 -3.7410 -3.7410 -3.1734 -3.1734 -3.0184 -3.0184 -2.9521 -2.9521 -2.5604 -2.5604 -1.4595 -1.4595 1.6065 1.6065 3.8019 3.8019 3.9961 3.9961 4.3790 4.3790 4.6795 4.6795 k = 0.1757-0.1758-0.0253 ( 14492 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7886 -16.7886 -16.1388 -16.1388 -15.0755 -15.0755 -14.5033 -14.5033 -6.6254 -6.6254 -5.9741 -5.9741 -4.7821 -4.7821 -4.5641 -4.5641 -4.4429 -4.4429 -4.1613 -4.1613 -3.7407 -3.7407 -3.1863 -3.1863 -3.0184 -3.0184 -2.9517 -2.9517 -2.5585 -2.5585 -1.4422 -1.4422 1.5517 1.5517 3.7930 3.7930 4.0181 4.0181 4.4084 4.4084 4.6777 4.6777 k = 0.1622-0.1623-0.0233 ( 14494 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7891 -16.7891 -16.1396 -16.1396 -15.0752 -15.0752 -14.5008 -14.5008 -6.6298 -6.6298 -5.9826 -5.9826 -4.7876 -4.7876 -4.5619 -4.5619 -4.4385 -4.4385 -4.1412 -4.1412 -3.7400 -3.7400 -3.2002 -3.2002 -3.0183 -3.0183 -2.9508 -2.9508 -2.5569 -2.5569 -1.4258 -1.4258 1.4996 1.4996 3.7850 3.7850 4.0364 4.0364 4.4323 4.4323 4.6800 4.6800 k = 0.1486-0.1487-0.0214 ( 14488 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7897 -16.7897 -16.1404 -16.1404 -15.0750 -15.0750 -14.4984 -14.4984 -6.6342 -6.6342 -5.9905 -5.9905 -4.7929 -4.7929 -4.5618 -4.5618 -4.4326 -4.4326 -4.1206 -4.1206 -3.7390 -3.7390 -3.2151 -3.2151 -3.0181 -3.0181 -2.9494 -2.9494 -2.5555 -2.5555 -1.4103 -1.4103 1.4504 1.4504 3.7778 3.7778 4.0516 4.0516 4.4475 4.4475 4.6894 4.6894 k = 0.1351-0.1352-0.0194 ( 14472 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7902 -16.7902 -16.1411 -16.1411 -15.0748 -15.0748 -14.4962 -14.4962 -6.6383 -6.6383 -5.9979 -5.9979 -4.7980 -4.7980 -4.5631 -4.5631 -4.4259 -4.4259 -4.0999 -4.0999 -3.7378 -3.7378 -3.2306 -3.2306 -3.0177 -3.0177 -2.9477 -2.9477 -2.5544 -2.5544 -1.3957 -1.3957 1.4044 1.4044 3.7714 3.7714 4.0642 4.0642 4.4532 4.4532 4.7067 4.7067 k = 0.1216-0.1217-0.0175 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7907 -16.7907 -16.1418 -16.1418 -15.0746 -15.0746 -14.4941 -14.4941 -6.6423 -6.6423 -6.0045 -6.0045 -4.8028 -4.8028 -4.5654 -4.5654 -4.4188 -4.4188 -4.0791 -4.0791 -3.7364 -3.7364 -3.2464 -3.2464 -3.0173 -3.0173 -2.9460 -2.9460 -2.5535 -2.5535 -1.3822 -1.3822 1.3618 1.3618 3.7658 3.7658 4.0748 4.0748 4.4510 4.4510 4.7300 4.7300 k = 0.1081-0.1082-0.0155 ( 14473 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7912 -16.7912 -16.1423 -16.1423 -15.0744 -15.0744 -14.4923 -14.4923 -6.6460 -6.6460 -6.0106 -6.0106 -4.8071 -4.8071 -4.5683 -4.5683 -4.4117 -4.4117 -4.0588 -4.0588 -3.7348 -3.7348 -3.2622 -3.2622 -3.0167 -3.0167 -2.9442 -2.9442 -2.5528 -2.5528 -1.3699 -1.3699 1.3230 1.3230 3.7608 3.7608 4.0835 4.0835 4.4437 4.4437 4.7565 4.7565 k = 0.0946-0.0947-0.0136 ( 14476 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7916 -16.7916 -16.1428 -16.1428 -15.0743 -15.0743 -14.4906 -14.4906 -6.6494 -6.6494 -6.0160 -6.0160 -4.8111 -4.8111 -4.5713 -4.5713 -4.4051 -4.4051 -4.0393 -4.0393 -3.7332 -3.7332 -3.2777 -3.2777 -3.0162 -3.0162 -2.9424 -2.9424 -2.5523 -2.5523 -1.3587 -1.3587 1.2881 1.2881 3.7565 3.7565 4.0908 4.0908 4.4338 4.4338 4.7835 4.7835 k = 0.0811-0.0811-0.0117 ( 14478 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7920 -16.7920 -16.1432 -16.1432 -15.0741 -15.0741 -14.4891 -14.4891 -6.6524 -6.6524 -6.0206 -6.0206 -4.8146 -4.8146 -4.5742 -4.5742 -4.3991 -4.3991 -4.0209 -4.0209 -3.7316 -3.7316 -3.2925 -3.2925 -3.0156 -3.0156 -2.9408 -2.9408 -2.5519 -2.5519 -1.3489 -1.3489 1.2573 1.2573 3.7528 3.7528 4.0968 4.0968 4.4232 4.4232 4.8093 4.8093 k = 0.0676-0.0676-0.0097 ( 14476 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7924 -16.7924 -16.1436 -16.1436 -15.0740 -15.0740 -14.4878 -14.4878 -6.6550 -6.6550 -6.0246 -6.0246 -4.8176 -4.8176 -4.5770 -4.5770 -4.3938 -4.3938 -4.0043 -4.0043 -3.7301 -3.7301 -3.3062 -3.3062 -3.0150 -3.0150 -2.9393 -2.9393 -2.5517 -2.5517 -1.3405 -1.3405 1.2310 1.2310 3.7497 3.7497 4.1016 4.1016 4.4129 4.4129 4.8327 4.8327 k = 0.0541-0.0541-0.0078 ( 14476 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7926 -16.7926 -16.1439 -16.1439 -15.0739 -15.0739 -14.4868 -14.4868 -6.6573 -6.6573 -6.0279 -6.0279 -4.8202 -4.8202 -4.5793 -4.5793 -4.3894 -4.3894 -3.9898 -3.9898 -3.7287 -3.7287 -3.3182 -3.3182 -3.0145 -3.0145 -2.9380 -2.9380 -2.5515 -2.5515 -1.3335 -1.3335 1.2091 1.2091 3.7472 3.7472 4.1054 4.1054 4.4037 4.4037 4.8529 4.8529 k = 0.0405-0.0406-0.0058 ( 14480 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7929 -16.7929 -16.1441 -16.1441 -15.0739 -15.0739 -14.4860 -14.4860 -6.6590 -6.6590 -6.0304 -6.0304 -4.8221 -4.8221 -4.5813 -4.5813 -4.3859 -4.3859 -3.9779 -3.9779 -3.7275 -3.7275 -3.3282 -3.3282 -3.0141 -3.0141 -2.9370 -2.9370 -2.5514 -2.5514 -1.3280 -1.3280 1.1920 1.1920 3.7452 3.7452 4.1082 4.1082 4.3962 4.3962 4.8693 4.8693 k = 0.0270-0.0270-0.0039 ( 14484 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7930 -16.7930 -16.1443 -16.1443 -15.0738 -15.0738 -14.4854 -14.4854 -6.6603 -6.6603 -6.0323 -6.0323 -4.8236 -4.8236 -4.5827 -4.5827 -4.3834 -4.3834 -3.9690 -3.9690 -3.7265 -3.7265 -3.3357 -3.3357 -3.0137 -3.0137 -2.9363 -2.9363 -2.5514 -2.5514 -1.3241 -1.3241 1.1797 1.1797 3.7438 3.7438 4.1102 4.1102 4.3906 4.3906 4.8815 4.8815 k = 0.0135-0.0135-0.0019 ( 14484 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1444 -16.1444 -15.0738 -15.0738 -14.4850 -14.4850 -6.6611 -6.6611 -6.0334 -6.0334 -4.8244 -4.8244 -4.5836 -4.5836 -4.3819 -4.3819 -3.9635 -3.9635 -3.7259 -3.7259 -3.3404 -3.3404 -3.0135 -3.0135 -2.9358 -2.9358 -2.5514 -2.5514 -1.3217 -1.3217 1.1722 1.1722 3.7430 3.7430 4.1114 4.1114 4.3872 4.3872 4.8890 4.8890 k = 0.0000 0.0000 0.0000 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7932 -16.7932 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6613 -6.6613 -6.0337 -6.0337 -4.8247 -4.8247 -4.5838 -4.5838 -4.3814 -4.3814 -3.9617 -3.9617 -3.7257 -3.7257 -3.3420 -3.3420 -3.0135 -3.0135 -2.9356 -2.9356 -2.5514 -2.5514 -1.3209 -1.3209 1.1697 1.1697 3.7427 3.7427 4.1118 4.1118 4.3861 4.3861 4.8915 4.8915 k = 0.0000 0.0000 0.0000 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7932 -16.7932 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6613 -6.6613 -6.0337 -6.0337 -4.8247 -4.8247 -4.5838 -4.5838 -4.3814 -4.3814 -3.9617 -3.9617 -3.7257 -3.7257 -3.3420 -3.3420 -3.0135 -3.0135 -2.9356 -2.9356 -2.5514 -2.5514 -1.3209 -1.3209 1.1697 1.1697 3.7427 3.7427 4.1118 4.1118 4.3861 4.3861 4.8915 4.8915 k =-0.0161 0.0014 0.0106 ( 14486 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1443 -16.1443 -15.0738 -15.0738 -14.4850 -14.4850 -6.6614 -6.6614 -6.0329 -6.0329 -4.8244 -4.8244 -4.5839 -4.5839 -4.3814 -4.3814 -3.9631 -3.9631 -3.7260 -3.7260 -3.3408 -3.3408 -3.0134 -3.0134 -2.9357 -2.9357 -2.5512 -2.5512 -1.3237 -1.3237 1.1742 1.1742 3.7424 3.7424 4.1126 4.1126 4.3857 4.3857 4.8794 4.8794 k =-0.0323 0.0029 0.0212 ( 14490 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1441 -16.1441 -15.0739 -15.0739 -14.4855 -14.4855 -6.6617 -6.6617 -6.0303 -6.0303 -4.8232 -4.8232 -4.5842 -4.5842 -4.3814 -4.3814 -3.9674 -3.9674 -3.7266 -3.7266 -3.3373 -3.3373 -3.0133 -3.0133 -2.9359 -2.9359 -2.5507 -2.5507 -1.3319 -1.3319 1.1874 1.1874 3.7414 3.7414 4.1148 4.1148 4.3844 4.3844 4.8469 4.8469 k =-0.0484 0.0043 0.0318 ( 14484 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7929 -16.7929 -16.1438 -16.1438 -15.0740 -15.0740 -14.4862 -14.4862 -6.6622 -6.6622 -6.0260 -6.0260 -4.8214 -4.8214 -4.5846 -4.5846 -4.3814 -4.3814 -3.9744 -3.9744 -3.7277 -3.7277 -3.3317 -3.3317 -3.0130 -3.0130 -2.9363 -2.9363 -2.5499 -2.5499 -1.3453 -1.3453 1.2090 1.2090 3.7395 3.7395 4.1185 4.1185 4.3819 4.3819 4.8021 4.8021 k =-0.0645 0.0057 0.0424 ( 14479 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7928 -16.7928 -16.1433 -16.1433 -15.0742 -15.0742 -14.4872 -14.4872 -6.6628 -6.6628 -6.0200 -6.0200 -4.8189 -4.8189 -4.5852 -4.5852 -4.3815 -4.3815 -3.9838 -3.9838 -3.7292 -3.7292 -3.3241 -3.3241 -3.0127 -3.0127 -2.9367 -2.9367 -2.5488 -2.5488 -1.3632 -1.3632 1.2386 1.2386 3.7363 3.7363 4.1238 4.1238 4.3774 4.3774 4.7518 4.7518 k =-0.0806 0.0071 0.0529 ( 14480 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7926 -16.7926 -16.1427 -16.1427 -15.0744 -15.0744 -14.4886 -14.4886 -6.6635 -6.6635 -6.0125 -6.0125 -4.8158 -4.8158 -4.5859 -4.5859 -4.3819 -4.3819 -3.9953 -3.9953 -3.7311 -3.7311 -3.3148 -3.3148 -3.0125 -3.0125 -2.9371 -2.9371 -2.5475 -2.5475 -1.3851 -1.3851 1.2755 1.2755 3.7312 3.7312 4.1305 4.1305 4.3700 4.3700 4.7011 4.7011 k =-0.0968 0.0086 0.0635 ( 14469 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7923 -16.7923 -16.1419 -16.1419 -15.0747 -15.0747 -14.4901 -14.4901 -6.6641 -6.6641 -6.0035 -6.0035 -4.8122 -4.8122 -4.5868 -4.5868 -4.3826 -4.3826 -4.0086 -4.0086 -3.7333 -3.7333 -3.3039 -3.3039 -3.0124 -3.0124 -2.9376 -2.9376 -2.5462 -2.5462 -1.4100 -1.4100 1.3190 1.3190 3.7234 3.7234 4.1384 4.1384 4.3582 4.3582 4.6546 4.6546 k =-0.1129 0.0100 0.0741 ( 14471 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7920 -16.7920 -16.1411 -16.1411 -15.0750 -15.0750 -14.4920 -14.4920 -6.6647 -6.6647 -5.9931 -5.9931 -4.8081 -4.8081 -4.5879 -4.5879 -4.3838 -4.3838 -4.0232 -4.0232 -3.7359 -3.7359 -3.2918 -3.2918 -3.0124 -3.0124 -2.9380 -2.9380 -2.5448 -2.5448 -1.4373 -1.4373 1.3683 1.3683 3.7120 3.7120 4.1470 4.1470 4.3411 4.3411 4.6160 4.6160 k =-0.1290 0.0114 0.0847 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7917 -16.7917 -16.1401 -16.1401 -15.0753 -15.0753 -14.4941 -14.4941 -6.6651 -6.6651 -5.9815 -5.9815 -4.8038 -4.8038 -4.5891 -4.5891 -4.3857 -4.3857 -4.0388 -4.0388 -3.7388 -3.7388 -3.2785 -3.2785 -3.0127 -3.0127 -2.9384 -2.9384 -2.5434 -2.5434 -1.4660 -1.4660 1.4225 1.4225 3.6960 3.6960 4.1551 4.1551 4.3200 4.3200 4.5874 4.5874 k =-0.1452 0.0128 0.0953 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7913 -16.7913 -16.1391 -16.1391 -15.0757 -15.0757 -14.4964 -14.4964 -6.6654 -6.6654 -5.9686 -5.9686 -4.7993 -4.7993 -4.5904 -4.5904 -4.3884 -4.3884 -4.0551 -4.0551 -3.7420 -3.7420 -3.2642 -3.2642 -3.0133 -3.0133 -2.9388 -2.9388 -2.5421 -2.5421 -1.4953 -1.4953 1.4809 1.4809 3.6740 3.6740 4.1602 4.1602 4.2991 4.2991 4.5686 4.5686 k =-0.1613 0.0143 0.1059 ( 14486 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7909 -16.7909 -16.1379 -16.1379 -15.0760 -15.0760 -14.4989 -14.4989 -6.6653 -6.6653 -5.9546 -5.9546 -4.7948 -4.7948 -4.5918 -4.5918 -4.3922 -4.3922 -4.0717 -4.0717 -3.7455 -3.7455 -3.2489 -3.2489 -3.0142 -3.0142 -2.9393 -2.9393 -2.5411 -2.5411 -1.5245 -1.5245 1.5427 1.5427 3.6450 3.6450 4.1584 4.1584 4.2859 4.2859 4.5577 4.5577 k =-0.1774 0.0157 0.1165 ( 14492 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7905 -16.7905 -16.1367 -16.1367 -15.0764 -15.0764 -14.5016 -14.5016 -6.6649 -6.6649 -5.9397 -5.9397 -4.7904 -4.7904 -4.5932 -4.5932 -4.3970 -4.3970 -4.0884 -4.0884 -3.7494 -3.7494 -3.2328 -3.2328 -3.0154 -3.0154 -2.9399 -2.9399 -2.5403 -2.5403 -1.5530 -1.5530 1.6073 1.6073 3.6084 3.6084 4.1482 4.1482 4.2855 4.2855 4.5520 4.5520 k =-0.1935 0.0171 0.1271 ( 14497 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7901 -16.7901 -16.1354 -16.1354 -15.0767 -15.0767 -14.5045 -14.5045 -6.6641 -6.6641 -5.9238 -5.9238 -4.7864 -4.7864 -4.5947 -4.5947 -4.4030 -4.4030 -4.1050 -4.1050 -3.7535 -3.7535 -3.2157 -3.2157 -3.0169 -3.0169 -2.9407 -2.9407 -2.5398 -2.5398 -1.5801 -1.5801 1.6738 1.6738 3.5641 3.5641 4.1335 4.1335 4.2964 4.2964 4.5493 4.5493 k =-0.2097 0.0185 0.1377 ( 14504 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7896 -16.7896 -16.1341 -16.1341 -15.0771 -15.0771 -14.5076 -14.5076 -6.6629 -6.6629 -5.9071 -5.9071 -4.7829 -4.7829 -4.5962 -4.5962 -4.4102 -4.4102 -4.1213 -4.1213 -3.7579 -3.7579 -3.1977 -3.1977 -3.0187 -3.0187 -2.9419 -2.9419 -2.5395 -2.5395 -1.6055 -1.6055 1.7416 1.7416 3.5127 3.5127 4.1193 4.1193 4.3146 4.3146 4.5479 4.5479 k =-0.2258 0.0200 0.1483 ( 14500 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7891 -16.7891 -16.1327 -16.1327 -15.0774 -15.0774 -14.5107 -14.5107 -6.6614 -6.6614 -5.8897 -5.8897 -4.7802 -4.7802 -4.5976 -4.5976 -4.4185 -4.4185 -4.1373 -4.1373 -3.7625 -3.7625 -3.1788 -3.1788 -3.0208 -3.0208 -2.9435 -2.9435 -2.5395 -2.5395 -1.6289 -1.6289 1.8103 1.8103 3.4556 3.4556 4.1085 4.1085 4.3373 4.3373 4.5466 4.5466 k =-0.2419 0.0214 0.1588 ( 14500 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7887 -16.7887 -16.1313 -16.1313 -15.0777 -15.0777 -14.5140 -14.5140 -6.6594 -6.6594 -5.8716 -5.8716 -4.7785 -4.7785 -4.5989 -4.5989 -4.4278 -4.4278 -4.1529 -4.1529 -3.7673 -3.7673 -3.1590 -3.1590 -3.0231 -3.0231 -2.9454 -2.9454 -2.5398 -2.5398 -1.6501 -1.6501 1.8791 1.8791 3.3944 3.3944 4.1020 4.1020 4.3631 4.3631 4.5441 4.5441 k =-0.2581 0.0228 0.1694 ( 14502 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7882 -16.7882 -16.1299 -16.1299 -15.0779 -15.0779 -14.5173 -14.5173 -6.6571 -6.6571 -5.8529 -5.8529 -4.7781 -4.7781 -4.5999 -4.5999 -4.4377 -4.4377 -4.1681 -4.1681 -3.7722 -3.7722 -3.1384 -3.1384 -3.0256 -3.0256 -2.9478 -2.9478 -2.5402 -2.5402 -1.6690 -1.6690 1.9476 1.9476 3.3307 3.3307 4.0997 4.0997 4.3911 4.3911 4.5397 4.5397 k =-0.2742 0.0242 0.1800 ( 14498 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7877 -16.7877 -16.1285 -16.1285 -15.0781 -15.0781 -14.5206 -14.5206 -6.6544 -6.6544 -5.8338 -5.8338 -4.7793 -4.7793 -4.6007 -4.6007 -4.4480 -4.4480 -4.1830 -4.1830 -3.7772 -3.7772 -3.1172 -3.1172 -3.0283 -3.0283 -2.9504 -2.9504 -2.5406 -2.5406 -1.6856 -1.6856 2.0151 2.0151 3.2661 3.2661 4.1011 4.1011 4.4208 4.4208 4.5327 4.5327 k =-0.2903 0.0257 0.1906 ( 14504 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7873 -16.7873 -16.1271 -16.1271 -15.0783 -15.0783 -14.5239 -14.5239 -6.6514 -6.6514 -5.8144 -5.8144 -4.7823 -4.7823 -4.6011 -4.6011 -4.4584 -4.4584 -4.1976 -4.1976 -3.7822 -3.7822 -3.0957 -3.0957 -3.0311 -3.0311 -2.9533 -2.9533 -2.5411 -2.5411 -1.7001 -1.7001 2.0813 2.0813 3.2019 3.2019 4.1060 4.1060 4.4519 4.4519 4.5228 4.5228 k =-0.3065 0.0271 0.2012 ( 14506 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7868 -16.7868 -16.1257 -16.1257 -15.0785 -15.0785 -14.5272 -14.5272 -6.6482 -6.6482 -5.7946 -5.7946 -4.7872 -4.7872 -4.6011 -4.6011 -4.4684 -4.4684 -4.2119 -4.2119 -3.7871 -3.7871 -3.0745 -3.0745 -3.0335 -3.0335 -2.9563 -2.9563 -2.5414 -2.5414 -1.7127 -1.7127 2.1456 2.1456 3.1393 3.1393 4.1137 4.1137 4.4842 4.4842 4.5097 4.5097 k =-0.3226 0.0285 0.2118 ( 14496 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7864 -16.7864 -16.1244 -16.1244 -15.0786 -15.0786 -14.5304 -14.5304 -6.6449 -6.6449 -5.7748 -5.7748 -4.7942 -4.7942 -4.6007 -4.6007 -4.4777 -4.4777 -4.2258 -4.2258 -3.7918 -3.7918 -3.0560 -3.0560 -3.0334 -3.0334 -2.9592 -2.9592 -2.5416 -2.5416 -1.7236 -1.7236 2.2074 2.2074 3.0793 3.0793 4.1237 4.1237 4.4932 4.4932 4.5178 4.5178 k =-0.3387 0.0299 0.2224 ( 14498 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7860 -16.7860 -16.1232 -16.1232 -15.0786 -15.0786 -14.5334 -14.5334 -6.6415 -6.6415 -5.7551 -5.7551 -4.8031 -4.8031 -4.5999 -4.5999 -4.4860 -4.4860 -4.2394 -4.2394 -3.7964 -3.7964 -3.0490 -3.0490 -3.0224 -3.0224 -2.9619 -2.9619 -2.5416 -2.5416 -1.7329 -1.7329 2.2661 2.2661 3.0228 3.0228 4.1357 4.1357 4.4743 4.4743 4.5519 4.5519 k =-0.3548 0.0314 0.2330 ( 14492 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7856 -16.7856 -16.1220 -16.1220 -15.0787 -15.0787 -14.5363 -14.5363 -6.6380 -6.6380 -5.7357 -5.7357 -4.8138 -4.8138 -4.5989 -4.5989 -4.4932 -4.4932 -4.2525 -4.2525 -3.8007 -3.8007 -3.0505 -3.0505 -3.0038 -3.0038 -2.9642 -2.9642 -2.5413 -2.5413 -1.7410 -1.7410 2.3210 2.3210 2.9706 2.9706 4.1491 4.1491 4.4531 4.4531 4.5869 4.5869 k =-0.3710 0.0328 0.2436 ( 14488 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7852 -16.7852 -16.1209 -16.1209 -15.0787 -15.0787 -14.5390 -14.5390 -6.6347 -6.6347 -5.7167 -5.7167 -4.8258 -4.8258 -4.5976 -4.5976 -4.4991 -4.4991 -4.2649 -4.2649 -3.8047 -3.8047 -3.0538 -3.0538 -2.9855 -2.9855 -2.9650 -2.9650 -2.5407 -2.5407 -1.7479 -1.7479 2.3715 2.3715 2.9235 2.9235 4.1635 4.1635 4.4305 4.4305 4.6223 4.6223 k =-0.3871 0.0342 0.2542 ( 14483 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7849 -16.7849 -16.1199 -16.1199 -15.0787 -15.0787 -14.5415 -14.5415 -6.6315 -6.6315 -5.6986 -5.6986 -4.8387 -4.8387 -4.5964 -4.5964 -4.5037 -4.5037 -4.2766 -4.2766 -3.8083 -3.8083 -3.0575 -3.0575 -2.9747 -2.9747 -2.9590 -2.9590 -2.5399 -2.5399 -1.7538 -1.7538 2.4168 2.4168 2.8822 2.8822 4.1783 4.1783 4.4072 4.4072 4.6582 4.6582 k =-0.4032 0.0356 0.2647 ( 14487 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7846 -16.7846 -16.1190 -16.1190 -15.0787 -15.0787 -14.5438 -14.5438 -6.6285 -6.6285 -5.6817 -5.6817 -4.8519 -4.8519 -4.5952 -4.5952 -4.5070 -4.5070 -4.2874 -4.2874 -3.8115 -3.8115 -3.0611 -3.0611 -2.9738 -2.9738 -2.9444 -2.9444 -2.5390 -2.5390 -1.7589 -1.7589 2.4559 2.4559 2.8474 2.8474 4.1929 4.1929 4.3842 4.3842 4.6943 4.6943 k =-0.4194 0.0371 0.2753 ( 14487 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7844 -16.7844 -16.1183 -16.1183 -15.0786 -15.0786 -14.5457 -14.5457 -6.6259 -6.6259 -5.6664 -5.6664 -4.8646 -4.8646 -4.5941 -4.5941 -4.5093 -4.5093 -4.2969 -4.2969 -3.8142 -3.8142 -3.0644 -3.0644 -2.9746 -2.9746 -2.9297 -2.9297 -2.5378 -2.5378 -1.7632 -1.7632 2.4880 2.4880 2.8198 2.8198 4.2067 4.2067 4.3624 4.3624 4.7306 4.7306 k =-0.4355 0.0385 0.2859 ( 14491 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7842 -16.7842 -16.1176 -16.1176 -15.0786 -15.0786 -14.5473 -14.5473 -6.6237 -6.6237 -5.6530 -5.6530 -4.8763 -4.8763 -4.5932 -4.5932 -4.5107 -4.5107 -4.3052 -4.3052 -3.8165 -3.8165 -3.0673 -3.0673 -2.9755 -2.9755 -2.9169 -2.9169 -2.5367 -2.5367 -1.7668 -1.7668 2.5127 2.5127 2.7994 2.7994 4.2193 4.2193 4.3429 4.3429 4.7667 4.7667 k =-0.4516 0.0399 0.2965 ( 14494 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7840 -16.7840 -16.1171 -16.1171 -15.0786 -15.0786 -14.5486 -14.5486 -6.6218 -6.6218 -5.6420 -5.6420 -4.8862 -4.8862 -4.5926 -4.5926 -4.5114 -4.5114 -4.3119 -4.3119 -3.8183 -3.8183 -3.0697 -3.0697 -2.9762 -2.9762 -2.9066 -2.9066 -2.5357 -2.5357 -1.7696 -1.7696 2.5299 2.5299 2.7861 2.7861 4.2300 4.2300 4.3264 4.3264 4.8026 4.8026 k =-0.4677 0.0413 0.3071 ( 14486 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7839 -16.7839 -16.1168 -16.1168 -15.0785 -15.0785 -14.5495 -14.5495 -6.6205 -6.6205 -5.6338 -5.6338 -4.8938 -4.8938 -4.5922 -4.5922 -4.5117 -4.5117 -4.3168 -4.3168 -3.8196 -3.8196 -3.0715 -3.0715 -2.9768 -2.9768 -2.8991 -2.8991 -2.5348 -2.5348 -1.7716 -1.7716 2.5405 2.5405 2.7786 2.7786 4.2383 4.2383 4.3138 4.3138 4.8381 4.8381 k =-0.4839 0.0428 0.3177 ( 14479 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7839 -16.7839 -16.1166 -16.1166 -15.0785 -15.0785 -14.5501 -14.5501 -6.6197 -6.6197 -5.6287 -5.6287 -4.8986 -4.8986 -4.5919 -4.5919 -4.5117 -4.5117 -4.3199 -4.3199 -3.8204 -3.8204 -3.0726 -3.0726 -2.9771 -2.9771 -2.8946 -2.8946 -2.5343 -2.5343 -1.7728 -1.7728 2.5460 2.5460 2.7750 2.7750 4.2436 4.2436 4.3058 4.3058 4.8730 4.8730 k =-0.5000 0.0442 0.3283 ( 14468 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7838 -16.7838 -16.1165 -16.1165 -15.0785 -15.0785 -14.5503 -14.5503 -6.6194 -6.6194 -5.6270 -5.6270 -4.9002 -4.9002 -4.5918 -4.5918 -4.5117 -4.5117 -4.3209 -4.3209 -3.8207 -3.8207 -3.0730 -3.0730 -2.9772 -2.9772 -2.8930 -2.8930 -2.5341 -2.5341 -1.7732 -1.7732 2.5476 2.5476 2.7741 2.7741 4.2455 4.2455 4.3030 4.3030 4.9065 4.9065 k =-0.5000-0.4120 0.1445 ( 14450 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7818 -16.7818 -16.1157 -16.1157 -15.0749 -15.0749 -14.5586 -14.5586 -6.6553 -6.6553 -5.7150 -5.7150 -4.8582 -4.8582 -4.7245 -4.7245 -4.5209 -4.5209 -4.0789 -4.0789 -3.6448 -3.6448 -3.0338 -3.0338 -2.9686 -2.9686 -2.9499 -2.9499 -2.6406 -2.6406 -1.6715 -1.6715 1.8923 1.8923 3.3036 3.3036 3.8087 3.8087 4.1462 4.1462 4.7891 4.7891 k =-0.4857-0.4002 0.1404 ( 14446 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7818 -16.7818 -16.1158 -16.1158 -15.0750 -15.0750 -14.5584 -14.5584 -6.6563 -6.6563 -5.7145 -5.7145 -4.8577 -4.8577 -4.7245 -4.7245 -4.5200 -4.5200 -4.0788 -4.0788 -3.6459 -3.6459 -3.0340 -3.0340 -2.9696 -2.9696 -2.9496 -2.9496 -2.6398 -2.6398 -1.6721 -1.6721 1.8942 1.8942 3.2997 3.2997 3.8130 3.8130 4.1464 4.1464 4.7842 4.7842 k =-0.4714-0.3884 0.1362 ( 14450 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7818 -16.7818 -16.1161 -16.1161 -15.0750 -15.0750 -14.5578 -14.5578 -6.6590 -6.6590 -5.7131 -5.7131 -4.8562 -4.8562 -4.7246 -4.7246 -4.5172 -4.5172 -4.0784 -4.0784 -3.6492 -3.6492 -3.0345 -3.0345 -2.9723 -2.9723 -2.9489 -2.9489 -2.6373 -2.6373 -1.6741 -1.6741 1.9000 1.9000 3.2888 3.2888 3.8254 3.8254 4.1469 4.1469 4.7705 4.7705 k =-0.4571-0.3766 0.1321 ( 14461 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7818 -16.7818 -16.1166 -16.1166 -15.0750 -15.0750 -14.5568 -14.5568 -6.6635 -6.6635 -5.7108 -5.7108 -4.8539 -4.8539 -4.7247 -4.7247 -4.5127 -4.5127 -4.0779 -4.0779 -3.6546 -3.6546 -3.0353 -3.0353 -2.9764 -2.9764 -2.9481 -2.9481 -2.6333 -2.6333 -1.6772 -1.6772 1.9092 1.9092 3.2720 3.2720 3.8444 3.8444 4.1477 4.1477 4.7500 4.7500 k =-0.4429-0.3649 0.1280 ( 14464 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7819 -16.7819 -16.1172 -16.1172 -15.0751 -15.0751 -14.5555 -14.5555 -6.6695 -6.6695 -5.7079 -5.7079 -4.8505 -4.8505 -4.7248 -4.7248 -4.5064 -4.5064 -4.0771 -4.0771 -3.6620 -3.6620 -3.0363 -3.0363 -2.9818 -2.9818 -2.9476 -2.9476 -2.6277 -2.6277 -1.6814 -1.6814 1.9215 1.9215 3.2514 3.2514 3.8683 3.8683 4.1489 4.1489 4.7254 4.7254 k =-0.4286-0.3531 0.1239 ( 14464 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8009 -43.8009 -16.7819 -16.7819 -16.1181 -16.1181 -15.0752 -15.0752 -14.5538 -14.5538 -6.6768 -6.6768 -5.7046 -5.7046 -4.8463 -4.8463 -4.7251 -4.7251 -4.4983 -4.4983 -4.0761 -4.0761 -3.6711 -3.6711 -3.0374 -3.0374 -2.9884 -2.9884 -2.9472 -2.9472 -2.6206 -2.6206 -1.6864 -1.6864 1.9361 1.9361 3.2288 3.2288 3.8950 3.8950 4.1507 4.1507 4.6988 4.6988 k =-0.4143-0.3413 0.1197 ( 14460 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7820 -16.7820 -16.1190 -16.1190 -15.0753 -15.0753 -14.5518 -14.5518 -6.6851 -6.6851 -5.7012 -5.7012 -4.8412 -4.8412 -4.7255 -4.7255 -4.4887 -4.4887 -4.0749 -4.0749 -3.6819 -3.6819 -3.0387 -3.0387 -2.9962 -2.9962 -2.9471 -2.9471 -2.6124 -2.6124 -1.6921 -1.6921 1.9522 1.9522 3.2059 3.2059 3.9227 3.9227 4.1533 4.1533 4.6721 4.6721 k =-0.4000-0.3296 0.1156 ( 14471 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7821 -16.7821 -16.1201 -16.1201 -15.0754 -15.0754 -14.5495 -14.5495 -6.6942 -6.6942 -5.6980 -5.6980 -4.8353 -4.8353 -4.7260 -4.7260 -4.4775 -4.4775 -4.0735 -4.0735 -3.6939 -3.6939 -3.0403 -3.0403 -3.0047 -3.0047 -2.9470 -2.9470 -2.6031 -2.6031 -1.6981 -1.6981 1.9687 1.9687 3.1844 3.1844 3.9495 3.9495 4.1572 4.1572 4.6466 4.6466 k =-0.3857-0.3178 0.1115 ( 14469 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7822 -16.7822 -16.1214 -16.1214 -15.0755 -15.0755 -14.5470 -14.5470 -6.7038 -6.7038 -5.6954 -5.6954 -4.8286 -4.8286 -4.7267 -4.7267 -4.4650 -4.4650 -4.0721 -4.0721 -3.7070 -3.7070 -3.0431 -3.0431 -3.0130 -3.0130 -2.9469 -2.9469 -2.5930 -2.5930 -1.7042 -1.7042 1.9843 1.9843 3.1658 3.1658 3.9737 3.9737 4.1632 4.1632 4.6233 4.6233 k =-0.3714-0.3060 0.1073 ( 14467 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7823 -16.7823 -16.1227 -16.1227 -15.0756 -15.0756 -14.5442 -14.5442 -6.7135 -6.7135 -5.6936 -5.6936 -4.8213 -4.8213 -4.7276 -4.7276 -4.4514 -4.4514 -4.0705 -4.0705 -3.7207 -3.7207 -3.0488 -3.0488 -3.0195 -3.0195 -2.9467 -2.9467 -2.5825 -2.5825 -1.7100 -1.7100 1.9978 1.9978 3.1515 3.1515 3.9934 3.9934 4.1724 4.1724 4.6027 4.6027 k =-0.3571-0.2943 0.1032 ( 14466 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7825 -16.7825 -16.1241 -16.1241 -15.0757 -15.0757 -14.5412 -14.5412 -6.7232 -6.7232 -5.6929 -5.6929 -4.8134 -4.8134 -4.7287 -4.7287 -4.4369 -4.4369 -4.0688 -4.0688 -3.7348 -3.7348 -3.0583 -3.0583 -3.0228 -3.0228 -2.9463 -2.9463 -2.5718 -2.5718 -1.7151 -1.7151 2.0075 2.0075 3.1428 3.1428 4.0075 4.0075 4.1856 4.1856 4.5850 4.5850 k =-0.3429-0.2825 0.0991 ( 14470 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1068 -44.1068 -43.8327 -43.8327 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7828 -16.7828 -16.1255 -16.1255 -15.0758 -15.0758 -14.5381 -14.5381 -6.7324 -6.7324 -5.6936 -5.6936 -4.8051 -4.8051 -4.7297 -4.7297 -4.4219 -4.4219 -4.0671 -4.0671 -3.7489 -3.7489 -3.0710 -3.0710 -3.0235 -3.0235 -2.9457 -2.9457 -2.5612 -2.5612 -1.7193 -1.7193 2.0123 2.0123 3.1408 3.1408 4.0156 4.0156 4.2031 4.2031 4.5699 4.5699 k =-0.3286-0.2707 0.0950 ( 14473 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8327 -43.8327 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7830 -16.7830 -16.1270 -16.1270 -15.0759 -15.0759 -14.5348 -14.5348 -6.7410 -6.7410 -5.6958 -5.6958 -4.7967 -4.7967 -4.7307 -4.7307 -4.4067 -4.4067 -4.0653 -4.0653 -3.7626 -3.7626 -3.0854 -3.0854 -3.0227 -3.0227 -2.9450 -2.9450 -2.5511 -2.5511 -1.7221 -1.7221 2.0109 2.0109 3.1463 3.1463 4.0186 4.0186 4.2242 4.2242 4.5570 4.5570 k =-0.3143-0.2589 0.0908 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7833 -16.7833 -16.1285 -16.1285 -15.0760 -15.0760 -14.5314 -14.5314 -6.7488 -6.7488 -5.6997 -5.6997 -4.7885 -4.7885 -4.7311 -4.7311 -4.3917 -4.3917 -4.0635 -4.0635 -3.7754 -3.7754 -3.1009 -3.1009 -3.0211 -3.0211 -2.9441 -2.9441 -2.5415 -2.5415 -1.7231 -1.7231 2.0026 2.0026 3.1598 3.1598 4.0177 4.0177 4.2480 4.2480 4.5452 4.5452 k =-0.3000-0.2472 0.0867 ( 14474 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7837 -16.7837 -16.1300 -16.1300 -15.0760 -15.0760 -14.5280 -14.5280 -6.7556 -6.7556 -5.7055 -5.7055 -4.7812 -4.7812 -4.7306 -4.7306 -4.3773 -4.3773 -4.0616 -4.0616 -3.7870 -3.7870 -3.1168 -3.1168 -3.0192 -3.0192 -2.9430 -2.9430 -2.5328 -2.5328 -1.7220 -1.7220 1.9869 1.9869 3.1811 3.1811 4.0144 4.0144 4.2737 4.2737 4.5337 4.5337 k =-0.2857-0.2354 0.0826 ( 14478 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8019 -43.8019 -43.8008 -43.8008 -16.7841 -16.7841 -16.1314 -16.1314 -15.0760 -15.0760 -14.5246 -14.5246 -6.7611 -6.7611 -5.7131 -5.7131 -4.7757 -4.7757 -4.7283 -4.7283 -4.3641 -4.3641 -4.0595 -4.0595 -3.7971 -3.7971 -3.1329 -3.1329 -3.0171 -3.0171 -2.9418 -2.9418 -2.5251 -2.5251 -1.7186 -1.7186 1.9639 1.9639 3.2099 3.2099 4.0100 4.0100 4.3007 4.3007 4.5217 4.5217 k =-0.2714-0.2236 0.0784 ( 14484 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7845 -16.7845 -16.1328 -16.1328 -15.0760 -15.0760 -14.5212 -14.5212 -6.7654 -6.7654 -5.7227 -5.7227 -4.7726 -4.7726 -4.7235 -4.7235 -4.3524 -4.3524 -4.0572 -4.0572 -3.8053 -3.8053 -3.1489 -3.1489 -3.0151 -3.0151 -2.9406 -2.9406 -2.5185 -2.5185 -1.7124 -1.7124 1.9341 1.9341 3.2452 3.2452 4.0054 4.0054 4.3285 4.3285 4.5085 4.5085 k =-0.2571-0.2119 0.0743 ( 14481 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7850 -16.7850 -16.1342 -16.1342 -15.0760 -15.0760 -14.5178 -14.5178 -6.7682 -6.7682 -5.7342 -5.7342 -4.7719 -4.7719 -4.7162 -4.7162 -4.3427 -4.3427 -4.0544 -4.0544 -3.8113 -3.8113 -3.1646 -3.1646 -3.0132 -3.0132 -2.9394 -2.9394 -2.5132 -2.5132 -1.7034 -1.7034 1.8982 1.8982 3.2859 3.2859 4.0013 4.0013 4.3565 4.3565 4.4943 4.4943 k =-0.2429-0.2001 0.0702 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7855 -16.7855 -16.1354 -16.1354 -15.0759 -15.0759 -14.5145 -14.5145 -6.7696 -6.7696 -5.7477 -5.7477 -4.7732 -4.7732 -4.7072 -4.7072 -4.3353 -4.3353 -4.0511 -4.0511 -3.8151 -3.8151 -3.1800 -3.1800 -3.0115 -3.0115 -2.9382 -2.9382 -2.5092 -2.5092 -1.6913 -1.6913 1.8569 1.8569 3.3307 3.3307 3.9984 3.9984 4.3833 4.3833 4.4804 4.4804 k =-0.2286-0.1883 0.0661 ( 14484 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7860 -16.7860 -16.1366 -16.1366 -15.0758 -15.0758 -14.5113 -14.5113 -6.7694 -6.7694 -5.7629 -5.7629 -4.7758 -4.7758 -4.6970 -4.6970 -4.3303 -4.3303 -4.0472 -4.0472 -3.8165 -3.8165 -3.1948 -3.1948 -3.0102 -3.0102 -2.9373 -2.9373 -2.5065 -2.5065 -1.6760 -1.6760 1.8113 1.8113 3.3782 3.3782 3.9972 3.9972 4.4037 4.4037 4.4723 4.4723 k =-0.2143-0.1766 0.0619 ( 14489 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7866 -16.7866 -16.1377 -16.1377 -15.0757 -15.0757 -14.5083 -14.5083 -6.7677 -6.7677 -5.7798 -5.7798 -4.7792 -4.7792 -4.6863 -4.6863 -4.3278 -4.3278 -4.0424 -4.0424 -3.8157 -3.8157 -3.2092 -3.2092 -3.0092 -3.0092 -2.9365 -2.9365 -2.5051 -2.5051 -1.6577 -1.6577 1.7621 1.7621 3.4269 3.4269 3.9979 3.9979 4.4066 4.4066 4.4817 4.4817 k =-0.2000-0.1648 0.0578 ( 14493 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7872 -16.7872 -16.1388 -16.1388 -15.0756 -15.0756 -14.5054 -14.5054 -6.7644 -6.7644 -5.7983 -5.7983 -4.7831 -4.7831 -4.6753 -4.6753 -4.3276 -4.3276 -4.0370 -4.0370 -3.8128 -3.8128 -3.2231 -3.2231 -3.0085 -3.0085 -2.9359 -2.9359 -2.5049 -2.5049 -1.6364 -1.6364 1.7103 1.7103 3.4754 3.4754 4.0011 4.0011 4.3941 4.3941 4.5072 4.5072 k =-0.1857-0.1530 0.0537 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7878 -16.7878 -16.1397 -16.1397 -15.0754 -15.0754 -14.5026 -14.5026 -6.7597 -6.7597 -5.8180 -5.8180 -4.7872 -4.7872 -4.6644 -4.6644 -4.3294 -4.3294 -4.0308 -4.0308 -3.8080 -3.8080 -3.2365 -3.2365 -3.0081 -3.0081 -2.9355 -2.9355 -2.5060 -2.5060 -1.6124 -1.6124 1.6567 1.6567 3.5222 3.5222 4.0069 4.0069 4.3768 4.3768 4.5391 4.5391 k =-0.1714-0.1412 0.0495 ( 14480 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7884 -16.7884 -16.1405 -16.1405 -15.0752 -15.0752 -14.5000 -14.5000 -6.7536 -6.7536 -5.8389 -5.8389 -4.7916 -4.7916 -4.6537 -4.6537 -4.3329 -4.3329 -4.0241 -4.0241 -3.8017 -3.8017 -3.2493 -3.2493 -3.0081 -3.0081 -2.9354 -2.9354 -2.5081 -2.5081 -1.5860 -1.5860 1.6021 1.6021 3.5660 3.5660 4.0156 4.0156 4.3592 4.3592 4.5735 4.5735 k =-0.1571-0.1295 0.0454 ( 14476 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7890 -16.7890 -16.1412 -16.1412 -15.0751 -15.0751 -14.4976 -14.4976 -6.7462 -6.7462 -5.8606 -5.8606 -4.7959 -4.7959 -4.6435 -4.6435 -4.3375 -4.3375 -4.0171 -4.0171 -3.7942 -3.7942 -3.2616 -3.2616 -3.0083 -3.0083 -2.9354 -2.9354 -2.5111 -2.5111 -1.5578 -1.5578 1.5475 1.5475 3.6054 3.6054 4.0270 4.0270 4.3432 4.3432 4.6092 4.6092 k =-0.1429-0.1177 0.0413 ( 14474 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7896 -16.7896 -16.1419 -16.1419 -15.0749 -15.0749 -14.4954 -14.4954 -6.7377 -6.7377 -5.8827 -5.8827 -4.8002 -4.8002 -4.6337 -4.6337 -4.3430 -4.3430 -4.0099 -4.0099 -3.7859 -3.7859 -3.2734 -3.2734 -3.0087 -3.0087 -2.9355 -2.9355 -2.5150 -2.5150 -1.5282 -1.5282 1.4935 1.4935 3.6396 3.6396 4.0408 4.0408 4.3302 4.3302 4.6456 4.6456 k =-0.1286-0.1059 0.0372 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7902 -16.7902 -16.1424 -16.1424 -15.0747 -15.0747 -14.4934 -14.4934 -6.7284 -6.7284 -5.9050 -5.9050 -4.8043 -4.8043 -4.6247 -4.6247 -4.3488 -4.3488 -4.0026 -4.0026 -3.7772 -3.7772 -3.2846 -3.2846 -3.0093 -3.0093 -2.9356 -2.9356 -2.5194 -2.5194 -1.4979 -1.4979 1.4410 1.4410 3.6679 3.6679 4.0559 4.0559 4.3215 4.3215 4.6822 4.6822 k =-0.1143-0.0942 0.0330 ( 14481 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7908 -16.7908 -16.1429 -16.1429 -15.0745 -15.0745 -14.4916 -14.4916 -6.7184 -6.7184 -5.9271 -5.9271 -4.8082 -4.8082 -4.6164 -4.6164 -4.3547 -4.3547 -3.9954 -3.9954 -3.7683 -3.7683 -3.2952 -3.2952 -3.0100 -3.0100 -2.9358 -2.9358 -2.5242 -2.5242 -1.4677 -1.4677 1.3909 1.3909 3.6903 3.6903 4.0709 4.0709 4.3179 4.3179 4.7183 4.7183 k =-0.1000-0.0824 0.0289 ( 14473 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7913 -16.7913 -16.1433 -16.1433 -15.0744 -15.0744 -14.4900 -14.4900 -6.7081 -6.7081 -5.9483 -5.9483 -4.8119 -4.8119 -4.6089 -4.6089 -4.3604 -4.3604 -3.9886 -3.9886 -3.7596 -3.7596 -3.3051 -3.3051 -3.0107 -3.0107 -2.9359 -2.9359 -2.5292 -2.5292 -1.4383 -1.4383 1.3440 1.3440 3.7075 3.7075 4.0842 4.0842 4.3201 4.3201 4.7534 4.7534 k =-0.0857-0.0706 0.0248 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7918 -16.7918 -16.1436 -16.1436 -15.0742 -15.0742 -14.4887 -14.4887 -6.6979 -6.6979 -5.9684 -5.9684 -4.8151 -4.8151 -4.6023 -4.6023 -4.3656 -4.3656 -3.9821 -3.9821 -3.7515 -3.7515 -3.3141 -3.3141 -3.0114 -3.0114 -2.9359 -2.9359 -2.5342 -2.5342 -1.4106 -1.4106 1.3011 1.3011 3.7200 3.7200 4.0946 4.0946 4.3275 4.3275 4.7865 4.7865 k =-0.0714-0.0589 0.0206 ( 14472 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7922 -16.7922 -16.1439 -16.1439 -15.0741 -15.0741 -14.4875 -14.4875 -6.6882 -6.6882 -5.9867 -5.9867 -4.8179 -4.8179 -4.5967 -4.5967 -4.3703 -4.3703 -3.9763 -3.9763 -3.7441 -3.7441 -3.3221 -3.3221 -3.0120 -3.0120 -2.9359 -2.9359 -2.5388 -2.5388 -1.3853 -1.3853 1.2630 1.2630 3.7288 3.7288 4.1020 4.1020 4.3390 4.3390 4.8168 4.8168 k =-0.0571-0.0471 0.0165 ( 14470 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7925 -16.7925 -16.1441 -16.1441 -15.0740 -15.0740 -14.4866 -14.4866 -6.6793 -6.6793 -6.0027 -6.0027 -4.8203 -4.8203 -4.5921 -4.5921 -4.3742 -4.3742 -3.9713 -3.9713 -3.7378 -3.7378 -3.3290 -3.3290 -3.0125 -3.0125 -2.9359 -2.9359 -2.5430 -2.5430 -1.3633 -1.3633 1.2305 1.2305 3.7348 3.7348 4.1067 4.1067 4.3525 4.3525 4.8429 4.8429 k =-0.0429-0.0353 0.0124 ( 14479 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7928 -16.7928 -16.1442 -16.1442 -15.0739 -15.0739 -14.4858 -14.4858 -6.6718 -6.6718 -6.0158 -6.0158 -4.8222 -4.8222 -4.5885 -4.5885 -4.3773 -4.3773 -3.9672 -3.9672 -3.7326 -3.7326 -3.3345 -3.3345 -3.0129 -3.0129 -2.9358 -2.9358 -2.5465 -2.5465 -1.3452 -1.3452 1.2044 1.2044 3.7387 3.7387 4.1094 4.1094 4.3656 4.3656 4.8640 4.8640 k =-0.0286-0.0235 0.0083 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7930 -16.7930 -16.1443 -16.1443 -15.0738 -15.0738 -14.4853 -14.4853 -6.6661 -6.6661 -6.0256 -6.0256 -4.8236 -4.8236 -4.5859 -4.5859 -4.3796 -4.3796 -3.9642 -3.9642 -3.7288 -3.7288 -3.3386 -3.3386 -3.0132 -3.0132 -2.9357 -2.9357 -2.5492 -2.5492 -1.3319 -1.3319 1.1853 1.1853 3.7410 3.7410 4.1109 4.1109 4.3765 4.3765 4.8793 4.8793 k =-0.0143-0.0118 0.0041 ( 14481 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1444 -16.1444 -15.0738 -15.0738 -14.4850 -14.4850 -6.6625 -6.6625 -6.0317 -6.0317 -4.8244 -4.8244 -4.5844 -4.5844 -4.3810 -4.3810 -3.9623 -3.9623 -3.7265 -3.7265 -3.3411 -3.3411 -3.0134 -3.0134 -2.9357 -2.9357 -2.5508 -2.5508 -1.3236 -1.3236 1.1737 1.1737 3.7423 3.7423 4.1116 4.1116 4.3836 4.3836 4.8885 4.8885 k = 0.0000 0.0000 0.0000 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7932 -16.7932 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6613 -6.6613 -6.0337 -6.0337 -4.8247 -4.8247 -4.5838 -4.5838 -4.3814 -4.3814 -3.9617 -3.9617 -3.7257 -3.7257 -3.3420 -3.3420 -3.0135 -3.0135 -2.9356 -2.9356 -2.5514 -2.5514 -1.3209 -1.3209 1.1697 1.1697 3.7427 3.7427 4.1118 4.1118 4.3861 4.3861 4.8915 4.8915 k = 0.0000 0.0000 0.0000 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7932 -16.7932 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6613 -6.6613 -6.0337 -6.0337 -4.8247 -4.8247 -4.5838 -4.5838 -4.3814 -4.3814 -3.9617 -3.9617 -3.7257 -3.7257 -3.3420 -3.3420 -3.0135 -3.0135 -2.9356 -2.9356 -2.5514 -2.5514 -1.3209 -1.3209 1.1697 1.1697 3.7427 3.7427 4.1118 4.1118 4.3861 4.3861 4.8915 4.8915 k = 0.0000 0.0000 0.0191 ( 14487 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7932 -16.7932 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6610 -6.6610 -6.0339 -6.0339 -4.8242 -4.8242 -4.5838 -4.5838 -4.3816 -4.3816 -3.9625 -3.9625 -3.7257 -3.7257 -3.3420 -3.3420 -3.0136 -3.0136 -2.9359 -2.9359 -2.5513 -2.5513 -1.3216 -1.3216 1.1729 1.1729 3.7432 3.7432 4.1129 4.1129 4.3866 4.3866 4.8774 4.8774 k = 0.0000 0.0000 0.0383 ( 14492 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1444 -16.1444 -15.0739 -15.0739 -14.4849 -14.4849 -6.6599 -6.6599 -6.0344 -6.0344 -4.8228 -4.8228 -4.5836 -4.5836 -4.3820 -4.3820 -3.9649 -3.9649 -3.7256 -3.7256 -3.3419 -3.3419 -3.0141 -3.0141 -2.9365 -2.9365 -2.5512 -2.5512 -1.3238 -1.3238 1.1822 1.1822 3.7447 3.7447 4.1162 4.1162 4.3879 4.3879 4.8403 4.8403 k = 0.0000 0.0000 0.0574 ( 14487 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1444 -16.1444 -15.0740 -15.0740 -14.4849 -14.4849 -6.6582 -6.6582 -6.0351 -6.0351 -4.8204 -4.8204 -4.5833 -4.5833 -4.3828 -4.3828 -3.9689 -3.9689 -3.7254 -3.7254 -3.3417 -3.3417 -3.0148 -3.0148 -2.9375 -2.9375 -2.5511 -2.5511 -1.3273 -1.3273 1.1976 1.1976 3.7471 3.7471 4.1214 4.1214 4.3896 4.3896 4.7900 4.7900 k = 0.0000 0.0000 0.0766 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7930 -16.7930 -16.1443 -16.1443 -15.0742 -15.0742 -14.4848 -14.4848 -6.6558 -6.6558 -6.0362 -6.0362 -4.8169 -4.8169 -4.5830 -4.5830 -4.3839 -4.3839 -3.9744 -3.9744 -3.7251 -3.7251 -3.3415 -3.3415 -3.0159 -3.0159 -2.9389 -2.9389 -2.5509 -2.5509 -1.3322 -1.3322 1.2190 1.2190 3.7502 3.7502 4.1281 4.1281 4.3912 4.3912 4.7346 4.7346 k = 0.0000 0.0000 0.0957 ( 14478 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7930 -16.7930 -16.1443 -16.1443 -15.0745 -15.0745 -14.4848 -14.4848 -6.6529 -6.6529 -6.0376 -6.0376 -4.8126 -4.8126 -4.5825 -4.5825 -4.3854 -4.3854 -3.9814 -3.9814 -3.7247 -3.7247 -3.3413 -3.3413 -3.0171 -3.0171 -2.9405 -2.9405 -2.5506 -2.5506 -1.3382 -1.3382 1.2461 1.2461 3.7533 3.7533 4.1353 4.1353 4.3913 4.3913 4.6803 4.6803 k = 0.0000 0.0000 0.1148 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7929 -16.7929 -16.1442 -16.1442 -15.0748 -15.0748 -14.4847 -14.4847 -6.6493 -6.6493 -6.0392 -6.0392 -4.8072 -4.8072 -4.5819 -4.5819 -4.3873 -4.3873 -3.9896 -3.9896 -3.7243 -3.7243 -3.3410 -3.3410 -3.0186 -3.0186 -2.9424 -2.9424 -2.5503 -2.5503 -1.3452 -1.3452 1.2786 1.2786 3.7561 3.7561 4.1416 4.1416 4.3882 4.3882 4.6328 4.6328 k = 0.0000 0.0000 0.1340 ( 14476 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7928 -16.7928 -16.1442 -16.1442 -15.0751 -15.0751 -14.4847 -14.4847 -6.6452 -6.6452 -6.0411 -6.0411 -4.8009 -4.8009 -4.5813 -4.5813 -4.3898 -4.3898 -3.9991 -3.9991 -3.7237 -3.7237 -3.3408 -3.3408 -3.0203 -3.0203 -2.9445 -2.9445 -2.5499 -2.5499 -1.3531 -1.3531 1.3161 1.3161 3.7574 3.7574 4.1450 4.1450 4.3806 4.3806 4.5978 4.5978 k = 0.0000 0.0000 0.1531 ( 14466 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7927 -16.7927 -16.1441 -16.1441 -15.0755 -15.0755 -14.4846 -14.4846 -6.6407 -6.6407 -6.0432 -6.0432 -4.7936 -4.7936 -4.5805 -4.5805 -4.3928 -4.3928 -4.0095 -4.0095 -3.7230 -3.7230 -3.3405 -3.3405 -3.0222 -3.0222 -2.9468 -2.9468 -2.5496 -2.5496 -1.3617 -1.3617 1.3583 1.3583 3.7558 3.7558 4.1427 4.1427 4.3701 4.3701 4.5783 4.5783 k = 0.0000 0.0000 0.1723 ( 14464 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7926 -16.7926 -16.1441 -16.1441 -15.0759 -15.0759 -14.4846 -14.4846 -6.6358 -6.6358 -6.0455 -6.0455 -4.7854 -4.7854 -4.5797 -4.5797 -4.3966 -4.3966 -4.0207 -4.0207 -3.7222 -3.7222 -3.3403 -3.3403 -3.0241 -3.0241 -2.9490 -2.9490 -2.5491 -2.5491 -1.3709 -1.3709 1.4047 1.4047 3.7492 3.7492 4.1328 4.1328 4.3618 4.3618 4.5733 4.5733 k = 0.0000 0.0000 0.1914 ( 14468 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7925 -16.7925 -16.1440 -16.1440 -15.0763 -15.0763 -14.4845 -14.4845 -6.6307 -6.6307 -6.0479 -6.0479 -4.7762 -4.7762 -4.5789 -4.5789 -4.4012 -4.4012 -4.0325 -4.0325 -3.7213 -3.7213 -3.3402 -3.3402 -3.0261 -3.0261 -2.9513 -2.9513 -2.5487 -2.5487 -1.3803 -1.3803 1.4549 1.4549 3.7350 3.7350 4.1171 4.1171 4.3602 4.3602 4.5791 4.5791 k = 0.0000 0.0000 0.2105 ( 14464 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7924 -16.7924 -16.1439 -16.1439 -15.0767 -15.0767 -14.4845 -14.4845 -6.6253 -6.6253 -6.0505 -6.0505 -4.7661 -4.7661 -4.5780 -4.5780 -4.4067 -4.4067 -4.0446 -4.0446 -3.7203 -3.7203 -3.3401 -3.3401 -3.0282 -3.0282 -2.9534 -2.9534 -2.5483 -2.5483 -1.3899 -1.3899 1.5083 1.5083 3.7107 3.7107 4.1009 4.1009 4.3656 4.3656 4.5924 4.5924 k = 0.0000 0.0000 0.2297 ( 14465 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7923 -16.7923 -16.1438 -16.1438 -15.0771 -15.0771 -14.4844 -14.4844 -6.6198 -6.6198 -6.0531 -6.0531 -4.7551 -4.7551 -4.5771 -4.5771 -4.4132 -4.4132 -4.0568 -4.0568 -3.7193 -3.7193 -3.3401 -3.3401 -3.0302 -3.0302 -2.9555 -2.9555 -2.5479 -2.5479 -1.3995 -1.3995 1.5644 1.5644 3.6748 3.6748 4.0897 4.0897 4.3752 4.3752 4.6113 4.6113 k = 0.0000 0.0000 0.2488 ( 14463 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7921 -16.7921 -16.1438 -16.1438 -15.0776 -15.0776 -14.4844 -14.4844 -6.6143 -6.6143 -6.0557 -6.0557 -4.7433 -4.7433 -4.5761 -4.5761 -4.4208 -4.4208 -4.0687 -4.0687 -3.7182 -3.7182 -3.3402 -3.3402 -3.0322 -3.0322 -2.9574 -2.9574 -2.5474 -2.5474 -1.4088 -1.4088 1.6225 1.6225 3.6284 3.6284 4.0862 4.0862 4.3863 4.3863 4.6347 4.6347 k = 0.0000 0.0000 0.2679 ( 14471 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7920 -16.7920 -16.1437 -16.1437 -15.0780 -15.0780 -14.4843 -14.4843 -6.6089 -6.6089 -6.0583 -6.0583 -4.7307 -4.7307 -4.5751 -4.5751 -4.4297 -4.4297 -4.0801 -4.0801 -3.7171 -3.7171 -3.3404 -3.3404 -3.0341 -3.0341 -2.9590 -2.9590 -2.5470 -2.5470 -1.4178 -1.4178 1.6818 1.6818 3.5738 3.5738 4.0903 4.0903 4.3963 4.3963 4.6620 4.6620 k = 0.0000 0.0000 0.2871 ( 14466 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7919 -16.7919 -16.1436 -16.1436 -15.0784 -15.0784 -14.4843 -14.4843 -6.6037 -6.6037 -6.0608 -6.0608 -4.7174 -4.7174 -4.5741 -4.5741 -4.4397 -4.4397 -4.0908 -4.0908 -3.7160 -3.7160 -3.3406 -3.3406 -3.0359 -3.0359 -2.9605 -2.9605 -2.5466 -2.5466 -1.4263 -1.4263 1.7415 1.7415 3.5142 3.5142 4.1007 4.1007 4.4035 4.4035 4.6927 4.6927 k = 0.0000 0.0000 0.3062 ( 14457 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7918 -16.7918 -16.1436 -16.1436 -15.0788 -15.0788 -14.4842 -14.4842 -6.5988 -6.5988 -6.0632 -6.0632 -4.7035 -4.7035 -4.5729 -4.5729 -4.4509 -4.4509 -4.1005 -4.1005 -3.7149 -3.7149 -3.3409 -3.3409 -3.0376 -3.0376 -2.9618 -2.9618 -2.5462 -2.5462 -1.4341 -1.4341 1.8007 1.8007 3.4525 3.4525 4.1159 4.1159 4.4066 4.4066 4.7263 4.7263 k = 0.0000 0.0000 0.3254 ( 14455 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7917 -16.7917 -16.1435 -16.1435 -15.0791 -15.0791 -14.4842 -14.4842 -6.5943 -6.5943 -6.0654 -6.0654 -4.6893 -4.6893 -4.5717 -4.5717 -4.4633 -4.4633 -4.1091 -4.1091 -3.7140 -3.7140 -3.3413 -3.3413 -3.0391 -3.0391 -2.9629 -2.9629 -2.5459 -2.5459 -1.4411 -1.4411 1.8580 1.8580 3.3913 3.3913 4.1347 4.1347 4.4051 4.4051 4.7621 4.7621 k = 0.0000 0.0000 0.3445 ( 14453 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7916 -16.7916 -16.1435 -16.1435 -15.0794 -15.0794 -14.4841 -14.4841 -6.5904 -6.5904 -6.0674 -6.0674 -4.6750 -4.6750 -4.5701 -4.5701 -4.4766 -4.4766 -4.1165 -4.1165 -3.7130 -3.7130 -3.3416 -3.3416 -3.0404 -3.0404 -2.9638 -2.9638 -2.5456 -2.5456 -1.4473 -1.4473 1.9120 1.9120 3.3330 3.3330 4.1559 4.1559 4.3988 4.3988 4.7992 4.7992 k = 0.0000 0.0000 0.3636 ( 14455 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7916 -16.7916 -16.1434 -16.1434 -15.0796 -15.0796 -14.4841 -14.4841 -6.5870 -6.5870 -6.0691 -6.0691 -4.6610 -4.6610 -4.5680 -4.5680 -4.4907 -4.4907 -4.1226 -4.1226 -3.7123 -3.7123 -3.3419 -3.3419 -3.0415 -3.0415 -2.9645 -2.9645 -2.5453 -2.5453 -1.4524 -1.4524 1.9610 1.9610 3.2800 3.2800 4.1786 4.1786 4.3881 4.3881 4.8364 4.8364 k = 0.0000 0.0000 0.3828 ( 14451 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7915 -16.7915 -16.1434 -16.1434 -15.0798 -15.0798 -14.4841 -14.4841 -6.5842 -6.5842 -6.0704 -6.0704 -4.6481 -4.6481 -4.5651 -4.5651 -4.5051 -4.5051 -4.1273 -4.1273 -3.7116 -3.7116 -3.3422 -3.3422 -3.0423 -3.0423 -2.9650 -2.9650 -2.5451 -2.5451 -1.4565 -1.4565 2.0028 2.0028 3.2348 3.2348 4.2016 4.2016 4.3740 4.3740 4.8721 4.8721 k = 0.0000 0.0000 0.4019 ( 14455 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7915 -16.7915 -16.1434 -16.1434 -15.0800 -15.0800 -14.4840 -14.4840 -6.5823 -6.5823 -6.0714 -6.0714 -4.6373 -4.6373 -4.5607 -4.5607 -4.5193 -4.5193 -4.1307 -4.1307 -3.7112 -3.7112 -3.3424 -3.3424 -3.0430 -3.0430 -2.9654 -2.9654 -2.5450 -2.5450 -1.4595 -1.4595 2.0350 2.0350 3.2000 3.2000 4.2234 4.2234 4.3584 4.3584 4.9041 4.9041 k = 0.0000 0.0000 0.4211 ( 14451 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7915 -16.7915 -16.1433 -16.1433 -15.0801 -15.0801 -14.4840 -14.4840 -6.5810 -6.5810 -6.0720 -6.0720 -4.6299 -4.6299 -4.5540 -4.5540 -4.5328 -4.5328 -4.1327 -4.1327 -3.7109 -3.7109 -3.3426 -3.3426 -3.0433 -3.0433 -2.9656 -2.9656 -2.5449 -2.5449 -1.4613 -1.4613 2.0555 2.0555 3.1779 3.1779 4.2409 4.2409 4.3444 4.3444 4.9285 4.9285 k = 0.0000 0.0000 0.4402 ( 14446 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7915 -16.7915 -16.1433 -16.1433 -15.0801 -15.0801 -14.4840 -14.4840 -6.5806 -6.5806 -6.0722 -6.0722 -4.6273 -4.6273 -4.5450 -4.5450 -4.5442 -4.5442 -4.1334 -4.1334 -3.7108 -3.7108 -3.3426 -3.3426 -3.0435 -3.0435 -2.9656 -2.9656 -2.5449 -2.5449 -1.4619 -1.4619 2.0625 2.0625 3.1703 3.1703 4.2482 4.2482 4.3383 4.3383 4.9383 4.9383 k = 0.0000-0.4561 0.2564 ( 14474 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8317 -43.8317 -43.8018 -43.8018 -43.8009 -43.8009 -16.7823 -16.7823 -16.1563 -16.1563 -15.0764 -15.0764 -14.4831 -14.4831 -6.8070 -6.8070 -5.8134 -5.8134 -4.7322 -4.7322 -4.5850 -4.5850 -4.2658 -4.2658 -4.2303 -4.2303 -3.8638 -3.8638 -3.2225 -3.2225 -3.0162 -3.0162 -2.9485 -2.9485 -2.4616 -2.4616 -1.5575 -1.5575 2.4861 2.4861 2.7405 2.7405 3.9860 3.9860 4.0868 4.0868 4.5968 4.5968 k = 0.0000-0.4398 0.2473 ( 14476 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8317 -43.8317 -43.8018 -43.8018 -43.8009 -43.8009 -16.7823 -16.7823 -16.1563 -16.1563 -15.0764 -15.0764 -14.4831 -14.4831 -6.8066 -6.8066 -5.8141 -5.8141 -4.7325 -4.7325 -4.5850 -4.5850 -4.2688 -4.2688 -4.2268 -4.2268 -3.8633 -3.8633 -3.2228 -3.2228 -3.0163 -3.0163 -2.9485 -2.9485 -2.4618 -2.4618 -1.5568 -1.5568 2.4644 2.4644 2.7622 2.7622 3.9869 3.9869 4.0873 4.0873 4.5974 4.5974 k = 0.0000-0.4236 0.2381 ( 14471 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8317 -43.8317 -43.8018 -43.8018 -43.8008 -43.8008 -16.7824 -16.7824 -16.1562 -16.1562 -15.0764 -15.0764 -14.4831 -14.4831 -6.8055 -6.8055 -5.8159 -5.8159 -4.7334 -4.7334 -4.5852 -4.5852 -4.2757 -4.2757 -4.2185 -4.2185 -3.8620 -3.8620 -3.2237 -3.2237 -3.0163 -3.0163 -2.9485 -2.9485 -2.4627 -2.4627 -1.5547 -1.5547 2.4129 2.4129 2.8133 2.8133 3.9893 3.9893 4.0890 4.0890 4.5989 4.5989 k = 0.0000-0.4073 0.2289 ( 14474 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8317 -43.8317 -43.8018 -43.8018 -43.8008 -43.8008 -16.7826 -16.7826 -16.1560 -16.1560 -15.0763 -15.0763 -14.4832 -14.4832 -6.8037 -6.8037 -5.8189 -5.8189 -4.7347 -4.7347 -4.5855 -4.5855 -4.2839 -4.2839 -4.2080 -4.2080 -3.8599 -3.8599 -3.2251 -3.2251 -3.0164 -3.0164 -2.9485 -2.9485 -2.4641 -2.4641 -1.5513 -1.5513 2.3489 2.3489 2.8768 2.8768 3.9924 3.9924 4.0927 4.0927 4.6012 4.6012 k = 0.0000-0.3910 0.2198 ( 14475 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7828 -16.7828 -16.1557 -16.1557 -15.0763 -15.0763 -14.4832 -14.4832 -6.8012 -6.8012 -5.8232 -5.8232 -4.7367 -4.7367 -4.5858 -4.5858 -4.2923 -4.2923 -4.1963 -4.1963 -3.8569 -3.8569 -3.2271 -3.2271 -3.0165 -3.0165 -2.9485 -2.9485 -2.4660 -2.4660 -1.5465 -1.5465 2.2799 2.2799 2.9450 2.9450 3.9951 3.9951 4.0999 4.0999 4.6037 4.6037 k = 0.0000-0.3747 0.2106 ( 14472 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8326 -43.8326 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7831 -16.7831 -16.1554 -16.1554 -15.0762 -15.0762 -14.4832 -14.4832 -6.7980 -6.7980 -5.8285 -5.8285 -4.7391 -4.7391 -4.5862 -4.5862 -4.3005 -4.3005 -4.1839 -4.1839 -3.8532 -3.8532 -3.2297 -3.2297 -3.0166 -3.0166 -2.9485 -2.9485 -2.4684 -2.4684 -1.5404 -1.5404 2.2089 2.2089 3.0148 3.0148 3.9962 3.9962 4.1118 4.1118 4.6058 4.6058 k = 0.0000-0.3584 0.2015 ( 14471 PWs) bands (ev): -77.1630 -77.1630 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7835 -16.7835 -16.1550 -16.1550 -15.0761 -15.0761 -14.4833 -14.4833 -6.7941 -6.7941 -5.8350 -5.8350 -4.7421 -4.7421 -4.5867 -4.5867 -4.3084 -4.3084 -4.1710 -4.1710 -3.8487 -3.8487 -3.2328 -3.2328 -3.0167 -3.0167 -2.9484 -2.9484 -2.4712 -2.4712 -1.5331 -1.5331 2.1375 2.1375 3.0846 3.0846 3.9952 3.9952 4.1292 4.1292 4.6067 4.6067 k = 0.0000-0.3421 0.1923 ( 14476 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7839 -16.7839 -16.1546 -16.1546 -15.0760 -15.0760 -14.4834 -14.4834 -6.7895 -6.7895 -5.8424 -5.8424 -4.7455 -4.7455 -4.5871 -4.5871 -4.3158 -4.3158 -4.1578 -4.1578 -3.8436 -3.8436 -3.2365 -3.2365 -3.0168 -3.0168 -2.9483 -2.9483 -2.4746 -2.4746 -1.5247 -1.5247 2.0664 2.0664 3.1535 3.1535 3.9921 3.9921 4.1521 4.1521 4.6055 4.6055 k = 0.0000-0.3258 0.1832 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1079 -44.1079 -44.1069 -44.1069 -43.8327 -43.8327 -43.8316 -43.8316 -43.8018 -43.8018 -43.8008 -43.8008 -16.7844 -16.7844 -16.1541 -16.1541 -15.0759 -15.0759 -14.4834 -14.4834 -6.7844 -6.7844 -5.8508 -5.8508 -4.7494 -4.7494 -4.5875 -4.5875 -4.3228 -4.3228 -4.1444 -4.1444 -3.8379 -3.8379 -3.2407 -3.2407 -3.0169 -3.0169 -2.9481 -2.9481 -2.4783 -2.4783 -1.5153 -1.5153 1.9961 1.9961 3.2210 3.2210 3.9875 3.9875 4.1801 4.1801 4.6016 4.6016 k = 0.0000-0.3095 0.1740 ( 14481 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8327 -43.8327 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7849 -16.7849 -16.1535 -16.1535 -15.0758 -15.0758 -14.4835 -14.4835 -6.7786 -6.7786 -5.8601 -5.8601 -4.7536 -4.7536 -4.5878 -4.5878 -4.3293 -4.3293 -4.1309 -4.1309 -3.8317 -3.8317 -3.2454 -3.2454 -3.0170 -3.0170 -2.9478 -2.9478 -2.4823 -2.4823 -1.5049 -1.5049 1.9270 1.9270 3.2865 3.2865 3.9820 3.9820 4.2124 4.2124 4.5948 4.5948 k = 0.0000-0.2932 0.1648 ( 14483 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7854 -16.7854 -16.1529 -16.1529 -15.0757 -15.0757 -14.4836 -14.4836 -6.7724 -6.7724 -5.8701 -5.8701 -4.7582 -4.7582 -4.5881 -4.5881 -4.3354 -4.3354 -4.1173 -4.1173 -3.8251 -3.8251 -3.2505 -3.2505 -3.0171 -3.0171 -2.9475 -2.9475 -2.4867 -2.4867 -1.4937 -1.4937 1.8595 1.8595 3.3495 3.3495 3.9763 3.9763 4.2482 4.2482 4.5858 4.5858 k = 0.0000-0.2769 0.1557 ( 14485 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7860 -16.7860 -16.1523 -16.1523 -15.0755 -15.0755 -14.4837 -14.4837 -6.7656 -6.7656 -5.8809 -5.8809 -4.7630 -4.7630 -4.5883 -4.5883 -4.3410 -4.3410 -4.1038 -4.1038 -3.8181 -3.8181 -3.2561 -3.2561 -3.0171 -3.0171 -2.9470 -2.9470 -2.4913 -2.4913 -1.4819 -1.4819 1.7938 1.7938 3.4096 3.4096 3.9707 3.9707 4.2864 4.2864 4.5757 4.5757 k = 0.0000-0.2607 0.1465 ( 14489 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7866 -16.7866 -16.1516 -16.1516 -15.0754 -15.0754 -14.4838 -14.4838 -6.7584 -6.7584 -5.8921 -5.8921 -4.7681 -4.7681 -4.5883 -4.5883 -4.3462 -4.3462 -4.0904 -4.0904 -3.8109 -3.8109 -3.2620 -3.2620 -3.0170 -3.0170 -2.9465 -2.9465 -2.4961 -2.4961 -1.4694 -1.4694 1.7301 1.7301 3.4662 3.4662 3.9660 3.9660 4.3255 4.3255 4.5664 4.5664 k = 0.0000-0.2444 0.1374 ( 14482 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8328 -43.8328 -43.8315 -43.8315 -43.8018 -43.8018 -43.8008 -43.8008 -16.7872 -16.7872 -16.1510 -16.1510 -15.0752 -15.0752 -14.4839 -14.4839 -6.7509 -6.7509 -5.9038 -5.9038 -4.7733 -4.7733 -4.5883 -4.5883 -4.3509 -4.3509 -4.0772 -4.0772 -3.8034 -3.8034 -3.2682 -3.2682 -3.0169 -3.0169 -2.9459 -2.9459 -2.5010 -2.5010 -1.4566 -1.4566 1.6687 1.6687 3.5189 3.5189 3.9626 3.9626 4.3627 4.3627 4.5608 4.5608 k = 0.0000-0.2281 0.1282 ( 14481 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1080 -44.1080 -44.1068 -44.1068 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7878 -16.7878 -16.1503 -16.1503 -15.0751 -15.0751 -14.4840 -14.4840 -6.7430 -6.7430 -5.9159 -5.9159 -4.7785 -4.7785 -4.5882 -4.5882 -4.3552 -4.3552 -4.0643 -4.0643 -3.7959 -3.7959 -3.2747 -3.2747 -3.0168 -3.0168 -2.9451 -2.9451 -2.5060 -2.5060 -1.4435 -1.4435 1.6099 1.6099 3.5670 3.5670 3.9612 3.9612 4.3937 4.3937 4.5630 4.5630 k = 0.0000-0.2118 0.1191 ( 14484 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7884 -16.7884 -16.1497 -16.1497 -15.0749 -15.0749 -14.4841 -14.4841 -6.7350 -6.7350 -5.9281 -5.9281 -4.7838 -4.7838 -4.5880 -4.5880 -4.3591 -4.3591 -4.0519 -4.0519 -3.7883 -3.7883 -3.2814 -3.2814 -3.0166 -3.0166 -2.9444 -2.9444 -2.5110 -2.5110 -1.4303 -1.4303 1.5538 1.5538 3.6097 3.6097 3.9624 3.9624 4.4137 4.4137 4.5773 4.5773 k = 0.0000-0.1955 0.1099 ( 14490 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8008 -43.8008 -16.7890 -16.7890 -16.1490 -16.1490 -15.0748 -15.0748 -14.4842 -14.4842 -6.7268 -6.7268 -5.9403 -5.9403 -4.7889 -4.7889 -4.5877 -4.5877 -4.3627 -4.3627 -4.0399 -4.0399 -3.7808 -3.7808 -3.2882 -3.2882 -3.0164 -3.0164 -2.9435 -2.9435 -2.5160 -2.5160 -1.4172 -1.4172 1.5007 1.5007 3.6464 3.6464 3.9669 3.9669 4.4217 4.4217 4.6040 4.6040 k = 0.0000-0.1792 0.1007 ( 14483 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8314 -43.8314 -43.8019 -43.8019 -43.8007 -43.8007 -16.7896 -16.7896 -16.1484 -16.1484 -15.0746 -15.0746 -14.4843 -14.4843 -6.7186 -6.7186 -5.9524 -5.9524 -4.7939 -4.7939 -4.5873 -4.5873 -4.3659 -4.3659 -4.0285 -4.0285 -3.7734 -3.7734 -3.2949 -3.2949 -3.0161 -3.0161 -2.9426 -2.9426 -2.5208 -2.5208 -1.4042 -1.4042 1.4508 1.4508 3.6764 3.6764 3.9751 3.9751 4.4214 4.4214 4.6382 4.6382 k = 0.0000-0.1629 0.0916 ( 14484 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8329 -43.8329 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7901 -16.7901 -16.1477 -16.1477 -15.0745 -15.0745 -14.4844 -14.4844 -6.7105 -6.7105 -5.9643 -5.9643 -4.7988 -4.7988 -4.5869 -4.5869 -4.3687 -4.3687 -4.0177 -4.0177 -3.7663 -3.7663 -3.3016 -3.3016 -3.0158 -3.0158 -2.9417 -2.9417 -2.5255 -2.5255 -1.3917 -1.3917 1.4044 1.4044 3.6996 3.6996 3.9872 3.9872 4.4172 4.4172 4.6746 4.6746 k = 0.0000-0.1466 0.0824 ( 14483 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7907 -16.7907 -16.1472 -16.1472 -15.0744 -15.0744 -14.4845 -14.4845 -6.7026 -6.7026 -5.9758 -5.9758 -4.8033 -4.8033 -4.5865 -4.5865 -4.3712 -4.3712 -4.0077 -4.0077 -3.7595 -3.7595 -3.3082 -3.3082 -3.0155 -3.0155 -2.9408 -2.9408 -2.5299 -2.5299 -1.3797 -1.3797 1.3615 1.3615 3.7164 3.7164 4.0026 4.0026 4.4116 4.4116 4.7099 4.7099 k = 0.0000-0.1303 0.0733 ( 14479 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1081 -44.1081 -44.1067 -44.1067 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7911 -16.7911 -16.1466 -16.1466 -15.0743 -15.0743 -14.4845 -14.4845 -6.6950 -6.6950 -5.9866 -5.9866 -4.8075 -4.8075 -4.5860 -4.5860 -4.3734 -4.3734 -3.9985 -3.9985 -3.7531 -3.7531 -3.3144 -3.3144 -3.0152 -3.0152 -2.9399 -2.9399 -2.5341 -2.5341 -1.3684 -1.3684 1.3226 1.3226 3.7278 3.7278 4.0201 4.0201 4.4058 4.4058 4.7426 4.7426 k = 0.0000-0.1140 0.0641 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7916 -16.7916 -16.1461 -16.1461 -15.0741 -15.0741 -14.4846 -14.4846 -6.6879 -6.6879 -5.9967 -5.9967 -4.8114 -4.8114 -4.5856 -4.5856 -4.3754 -4.3754 -3.9902 -3.9902 -3.7472 -3.7472 -3.3203 -3.3203 -3.0148 -3.0148 -2.9390 -2.9390 -2.5379 -2.5379 -1.3580 -1.3580 1.2876 1.2876 3.7351 3.7351 4.0384 4.0384 4.4006 4.4006 4.7725 4.7725 k = 0.0000-0.0977 0.0549 ( 14477 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8313 -43.8313 -43.8019 -43.8019 -43.8007 -43.8007 -16.7920 -16.7920 -16.1457 -16.1457 -15.0740 -15.0740 -14.4847 -14.4847 -6.6814 -6.6814 -6.0059 -6.0059 -4.8148 -4.8148 -4.5852 -4.5852 -4.3770 -4.3770 -3.9828 -3.9828 -3.7418 -3.7418 -3.3256 -3.3256 -3.0145 -3.0145 -2.9382 -2.9382 -2.5413 -2.5413 -1.3487 -1.3487 1.2569 1.2569 3.7393 3.7393 4.0561 4.0561 4.3962 4.3962 4.7997 4.7997 k = 0.0000-0.0815 0.0458 ( 14471 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7923 -16.7923 -16.1453 -16.1453 -15.0740 -15.0740 -14.4847 -14.4847 -6.6756 -6.6756 -6.0140 -6.0140 -4.8178 -4.8178 -4.5848 -4.5848 -4.3784 -4.3784 -3.9765 -3.9765 -3.7371 -3.7371 -3.3304 -3.3304 -3.0142 -3.0142 -2.9374 -2.9374 -2.5443 -2.5443 -1.3405 -1.3405 1.2306 1.2306 3.7415 3.7415 4.0723 4.0723 4.3927 4.3927 4.8242 4.8242 k = 0.0000-0.0652 0.0366 ( 14472 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7926 -16.7926 -16.1450 -16.1450 -15.0739 -15.0739 -14.4848 -14.4848 -6.6706 -6.6706 -6.0209 -6.0209 -4.8202 -4.8202 -4.5845 -4.5845 -4.3795 -4.3795 -3.9712 -3.9712 -3.7331 -3.7331 -3.3344 -3.3344 -3.0140 -3.0140 -2.9368 -2.9368 -2.5468 -2.5468 -1.3336 -1.3336 1.2089 1.2089 3.7425 3.7425 4.0862 4.0862 4.3900 4.3900 4.8461 4.8461 k = 0.0000-0.0489 0.0275 ( 14476 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7929 -16.7929 -16.1447 -16.1447 -15.0738 -15.0738 -14.4848 -14.4848 -6.6666 -6.6666 -6.0264 -6.0264 -4.8222 -4.8222 -4.5842 -4.5842 -4.3803 -4.3803 -3.9671 -3.9671 -3.7299 -3.7299 -3.3377 -3.3377 -3.0138 -3.0138 -2.9363 -2.9363 -2.5488 -2.5488 -1.3281 -1.3281 1.1918 1.1918 3.7428 3.7428 4.0973 4.0973 4.3882 4.3882 4.8647 4.8647 k = 0.0000-0.0326 0.0183 ( 14479 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7930 -16.7930 -16.1446 -16.1446 -15.0738 -15.0738 -14.4849 -14.4849 -6.6637 -6.6637 -6.0305 -6.0305 -4.8236 -4.8236 -4.5840 -4.5840 -4.3809 -4.3809 -3.9641 -3.9641 -3.7276 -3.7276 -3.3400 -3.3400 -3.0136 -3.0136 -2.9359 -2.9359 -2.5502 -2.5502 -1.3241 -1.3241 1.1796 1.1796 3.7428 3.7428 4.1053 4.1053 4.3870 4.3870 4.8791 4.8791 k = 0.0000-0.0163 0.0092 ( 14483 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7931 -16.7931 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6619 -6.6619 -6.0329 -6.0329 -4.8244 -4.8244 -4.5839 -4.5839 -4.3813 -4.3813 -3.9623 -3.9623 -3.7262 -3.7262 -3.3415 -3.3415 -3.0135 -3.0135 -2.9357 -2.9357 -2.5511 -2.5511 -1.3217 -1.3217 1.1722 1.1722 3.7427 3.7427 4.1102 4.1102 4.3863 4.3863 4.8883 4.8883 k = 0.0000 0.0000 0.0000 ( 14475 PWs) bands (ev): -77.1631 -77.1631 -77.1628 -77.1628 -44.1082 -44.1082 -44.1066 -44.1066 -43.8330 -43.8330 -43.8312 -43.8312 -43.8019 -43.8019 -43.8007 -43.8007 -16.7932 -16.7932 -16.1444 -16.1444 -15.0738 -15.0738 -14.4849 -14.4849 -6.6613 -6.6613 -6.0337 -6.0337 -4.8247 -4.8247 -4.5838 -4.5838 -4.3814 -4.3814 -3.9617 -3.9617 -3.7257 -3.7257 -3.3420 -3.3420 -3.0135 -3.0135 -2.9356 -2.9356 -2.5514 -2.5514 -1.3209 -1.3209 1.1697 1.1697 3.7427 3.7427 4.1118 4.1118 4.3861 4.3861 4.8915 4.8915 Writing output data file MgCl2.save init_run : 4.22s CPU 11.42s WALL ( 1 calls) electrons : 880.56s CPU 887.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.82s CPU 1.68s WALL ( 1 calls) Called by electrons: c_bands : 880.51s CPU 887.31s WALL ( 1 calls) v_of_rho : 0.33s CPU 0.79s WALL ( 1 calls) v_h : 0.07s CPU 0.07s WALL ( 1 calls) v_xc : 0.25s CPU 0.64s WALL ( 1 calls) newd : 0.87s CPU 0.95s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.36s WALL ( 214 calls) cegterg : 827.57s CPU 831.39s WALL ( 448 calls) Called by sum_band: Called by *egterg: h_psi : 486.33s CPU 491.63s WALL ( 7564 calls) s_psi : 39.73s CPU 39.88s WALL ( 7564 calls) g_psi : 1.47s CPU 1.48s WALL ( 6902 calls) cdiaghg : 181.13s CPU 179.49s WALL ( 7116 calls) cegterg:over : 69.54s CPU 67.82s WALL ( 6902 calls) cegterg:upda : 32.96s CPU 35.29s WALL ( 6902 calls) cegterg:last : 22.62s CPU 23.07s WALL ( 1112 calls) Called by h_psi: h_psi:vloc : 403.84s CPU 407.31s WALL ( 7564 calls) h_psi:vnl : 81.66s CPU 82.99s WALL ( 7564 calls) add_vuspsi : 32.20s CPU 34.86s WALL ( 7564 calls) General routines calbec : 49.41s CPU 48.08s WALL ( 7564 calls) fft : 0.89s CPU 1.76s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 384.27s CPU 382.37s WALL ( 799176 calls) interpolate : 0.23s CPU 0.26s WALL ( 4 calls) davcio : 0.04s CPU 1.83s WALL ( 428 calls) Parallel routines fft_scatter : 238.01s CPU 232.02s WALL ( 799199 calls) PWSCF : 15m55.25s CPU 18m10.12s WALL This run was terminated on: 4:23:14 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=