Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13: 3:55 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiAsF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 74 20 2504 2504 362 Max 75 75 21 2508 2508 366 Sum 2677 2677 741 90191 90191 13101 bravais-lattice index = 14 lattice parameter (alat) = 9.8638 a.u. unit-cell volume = 638.5556 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.863846 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.538268 celldm(5)= 0.538268 celldm(6)= 0.538268 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.538268 0.842774 0.000000 ) a(3) = ( 0.538268 0.294902 0.789494 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.638686 -0.443218 ) b(2) = ( 0.000000 1.186558 -0.443218 ) b(3) = ( 0.000000 0.000000 1.266634 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Li 3.00 6.94100 Li( 1.00) F 7.00 18.99840 F( 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 and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 283 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0128205 -0.0081883 -0.0056823), wk = 0.0035336 k( 3) = ( 0.0256410 -0.0163766 -0.0113646), wk = 0.0035336 k( 4) = ( 0.0384615 -0.0245648 -0.0170469), wk = 0.0035336 k( 5) = ( 0.0512821 -0.0327531 -0.0227291), wk = 0.0035336 k( 6) = ( 0.0641026 -0.0409414 -0.0284114), wk = 0.0035336 k( 7) = ( 0.0769231 -0.0491297 -0.0340937), wk = 0.0035336 k( 8) = ( 0.0897436 -0.0573180 -0.0397760), wk = 0.0035336 k( 9) = ( 0.1025641 -0.0655062 -0.0454583), wk = 0.0035336 k( 10) = ( 0.1153846 -0.0736945 -0.0511406), wk = 0.0035336 k( 11) = ( 0.1282051 -0.0818828 -0.0568229), wk = 0.0035336 k( 12) = ( 0.1410256 -0.0900711 -0.0625051), wk = 0.0035336 k( 13) = ( 0.1538461 -0.0982594 -0.0681874), wk = 0.0035336 k( 14) = ( 0.1666667 -0.1064476 -0.0738697), wk = 0.0035336 k( 15) = ( 0.1794872 -0.1146359 -0.0795520), wk = 0.0035336 k( 16) = ( 0.1923077 -0.1228242 -0.0852343), wk = 0.0035336 k( 17) = ( 0.2051282 -0.1310125 -0.0909166), wk = 0.0035336 k( 18) = ( 0.2179487 -0.1392008 -0.0965988), wk = 0.0035336 k( 19) = ( 0.2307692 -0.1473890 -0.1022811), wk = 0.0035336 k( 20) = ( 0.2435897 -0.1555773 -0.1079634), wk = 0.0035336 k( 21) = ( 0.2564103 -0.1637656 -0.1136457), wk = 0.0035336 k( 22) = ( 0.2692308 -0.1719539 -0.1193280), wk = 0.0035336 k( 23) = ( 0.2820513 -0.1801422 -0.1250103), wk = 0.0035336 k( 24) = ( 0.2948718 -0.1883304 -0.1306926), wk = 0.0035336 k( 25) = ( 0.3076923 -0.1965187 -0.1363748), wk = 0.0035336 k( 26) = ( 0.3205128 -0.2047070 -0.1420571), wk = 0.0035336 k( 27) = ( 0.3333333 -0.2128953 -0.1477394), wk = 0.0035336 k( 28) = ( 0.3461538 -0.2210836 -0.1534217), wk = 0.0035336 k( 29) = ( 0.3589744 -0.2292719 -0.1591040), wk = 0.0035336 k( 30) = ( 0.3717949 -0.2374601 -0.1647863), wk = 0.0035336 k( 31) = ( 0.3846154 -0.2456484 -0.1704686), wk = 0.0035336 k( 32) = ( 0.3974359 -0.2538367 -0.1761508), wk = 0.0035336 k( 33) = ( 0.4102564 -0.2620250 -0.1818331), wk = 0.0035336 k( 34) = ( 0.4230769 -0.2702133 -0.1875154), wk = 0.0035336 k( 35) = ( 0.4358974 -0.2784015 -0.1931977), wk = 0.0035336 k( 36) = ( 0.4487179 -0.2865898 -0.1988800), wk = 0.0035336 k( 37) = ( 0.4615385 -0.2947781 -0.2045623), wk = 0.0035336 k( 38) = ( 0.4743590 -0.3029664 -0.2102446), wk = 0.0035336 k( 39) = ( 0.4871795 -0.3111547 -0.2159268), wk = 0.0035336 k( 40) = ( 0.5000000 -0.3193429 -0.2216091), wk = 0.0035336 k( 41) = ( 0.5000000 -0.3193429 -0.2216091), wk = 0.0035336 k( 42) = ( 0.5000000 -0.3101266 -0.2348900), wk = 0.0035336 k( 43) = ( 0.5000000 -0.3009103 -0.2481709), wk = 0.0035336 k( 44) = ( 0.5000000 -0.2916940 -0.2614518), wk = 0.0035336 k( 45) = ( 0.5000000 -0.2824776 -0.2747327), wk = 0.0035336 k( 46) = ( 0.5000000 -0.2732613 -0.2880136), wk = 0.0035336 k( 47) = ( 0.5000000 -0.2640450 -0.3012945), wk = 0.0035336 k( 48) = ( 0.5000000 -0.2548286 -0.3145754), wk = 0.0035336 k( 49) = ( 0.5000000 -0.2456123 -0.3278563), wk = 0.0035336 k( 50) = ( 0.5000000 -0.2363960 -0.3411372), wk = 0.0035336 k( 51) = ( 0.5000000 -0.2271797 -0.3544181), wk = 0.0035336 k( 52) = ( 0.5000000 -0.2179633 -0.3676990), wk = 0.0035336 k( 53) = ( 0.5000000 -0.2087470 -0.3809800), wk = 0.0035336 k( 54) = ( 0.5000000 -0.1995307 -0.3942609), wk = 0.0035336 k( 55) = ( 0.5000000 -0.1903144 -0.4075417), wk = 0.0035336 k( 56) = ( 0.5000000 -0.1810980 -0.4208226), wk = 0.0035336 k( 57) = ( 0.5000000 -0.1718817 -0.4341035), wk = 0.0035336 k( 58) = ( 0.5000000 -0.1626654 -0.4473844), wk = 0.0035336 k( 59) = ( 0.5000000 -0.1534491 -0.4606653), wk = 0.0035336 k( 60) = ( 0.5000000 -0.1442327 -0.4739463), wk = 0.0035336 k( 61) = ( 0.5000000 -0.1350164 -0.4872272), wk = 0.0035336 k( 62) = ( 0.5000000 -0.1258001 -0.5005081), wk = 0.0035336 k( 63) = ( 0.5000000 -0.1165837 -0.5137890), wk = 0.0035336 k( 64) = ( 0.5000000 -0.1073674 -0.5270699), wk = 0.0035336 k( 65) = ( 0.5000000 -0.0981511 -0.5403508), wk = 0.0035336 k( 66) = ( 0.5000000 -0.0889348 -0.5536317), wk = 0.0035336 k( 67) = ( 0.5000000 -0.0797184 -0.5669126), wk = 0.0035336 k( 68) = ( 0.5000000 -0.0705021 -0.5801935), wk = 0.0035336 k( 69) = ( 0.5000000 -0.0612858 -0.5934744), wk = 0.0035336 k( 70) = ( 0.5000000 -0.0520695 -0.6067553), wk = 0.0035336 k( 71) = ( 0.5000000 -0.0428531 -0.6200362), wk = 0.0035336 k( 72) = ( 0.5000000 -0.0336368 -0.6333171), wk = 0.0035336 k( 73) = ( 0.7592143 0.1083795 -0.2531194), wk = 0.0035336 k( 74) = ( 0.7513593 0.1133963 -0.2396886), wk = 0.0035336 k( 75) = ( 0.7435044 0.1184132 -0.2262577), wk = 0.0035336 k( 76) = ( 0.7356494 0.1234301 -0.2128268), wk = 0.0035336 k( 77) = ( 0.7277944 0.1284469 -0.1993960), wk = 0.0035336 k( 78) = ( 0.7199394 0.1334638 -0.1859651), wk = 0.0035336 k( 79) = ( 0.7120844 0.1384807 -0.1725343), wk = 0.0035336 k( 80) = ( 0.7042295 0.1434975 -0.1591034), wk = 0.0035336 k( 81) = ( 0.6963745 0.1485144 -0.1456726), wk = 0.0035336 k( 82) = ( 0.6885195 0.1535313 -0.1322417), wk = 0.0035336 k( 83) = ( 0.6806645 0.1585481 -0.1188109), wk = 0.0035336 k( 84) = ( 0.6728095 0.1635650 -0.1053800), wk = 0.0035336 k( 85) = ( 0.6649546 0.1685819 -0.0919491), wk = 0.0035336 k( 86) = ( 0.6570996 0.1735987 -0.0785183), wk = 0.0035336 k( 87) = ( 0.6492446 0.1786156 -0.0650874), wk = 0.0035336 k( 88) = ( 0.6413896 0.1836324 -0.0516566), wk = 0.0035336 k( 89) = ( 0.6335347 0.1886493 -0.0382257), wk = 0.0035336 k( 90) = ( 0.6256797 0.1936662 -0.0247949), wk = 0.0035336 k( 91) = ( 0.6178247 0.1986830 -0.0113640), wk = 0.0035336 k( 92) = ( 0.6099697 0.2036999 0.0020668), wk = 0.0035336 k( 93) = ( 0.6021147 0.2087168 0.0154977), wk = 0.0035336 k( 94) = ( 0.5942598 0.2137336 0.0289286), wk = 0.0035336 k( 95) = ( 0.5864048 0.2187505 0.0423594), wk = 0.0035336 k( 96) = ( 0.5785498 0.2237674 0.0557903), wk = 0.0035336 k( 97) = ( 0.5706948 0.2287842 0.0692211), wk = 0.0035336 k( 98) = ( 0.5628398 0.2338011 0.0826520), wk = 0.0035336 k( 99) = ( 0.5549849 0.2388180 0.0960828), wk = 0.0035336 k( 100) = ( 0.5471299 0.2438348 0.1095137), wk = 0.0035336 k( 101) = ( 0.5392749 0.2488517 0.1229445), wk = 0.0035336 k( 102) = ( 0.5314199 0.2538686 0.1363754), wk = 0.0035336 k( 103) = ( 0.5235649 0.2588854 0.1498063), wk = 0.0035336 k( 104) = ( 0.5157100 0.2639023 0.1632371), wk = 0.0035336 k( 105) = ( 0.5078550 0.2689191 0.1766680), wk = 0.0035336 k( 106) = ( 0.5000000 0.2739360 0.1900988), wk = 0.0035336 k( 107) = ( 0.5000000 0.2739360 0.1900988), wk = 0.0035336 k( 108) = ( 0.4864865 0.2665323 0.1849610), wk = 0.0035336 k( 109) = ( 0.4729730 0.2591287 0.1798232), wk = 0.0035336 k( 110) = ( 0.4594595 0.2517250 0.1746854), wk = 0.0035336 k( 111) = ( 0.4459459 0.2443213 0.1695476), wk = 0.0035336 k( 112) = ( 0.4324324 0.2369176 0.1644098), wk = 0.0035336 k( 113) = ( 0.4189189 0.2295140 0.1592720), wk = 0.0035336 k( 114) = ( 0.4054054 0.2221103 0.1541342), wk = 0.0035336 k( 115) = ( 0.3918919 0.2147066 0.1489964), wk = 0.0035336 k( 116) = ( 0.3783784 0.2073029 0.1438586), wk = 0.0035336 k( 117) = ( 0.3648649 0.1998992 0.1387208), wk = 0.0035336 k( 118) = ( 0.3513514 0.1924956 0.1335830), wk = 0.0035336 k( 119) = ( 0.3378378 0.1850919 0.1284452), wk = 0.0035336 k( 120) = ( 0.3243243 0.1776882 0.1233073), wk = 0.0035336 k( 121) = ( 0.3108108 0.1702845 0.1181695), wk = 0.0035336 k( 122) = ( 0.2972973 0.1628809 0.1130317), wk = 0.0035336 k( 123) = ( 0.2837838 0.1554772 0.1078939), wk = 0.0035336 k( 124) = ( 0.2702703 0.1480735 0.1027561), wk = 0.0035336 k( 125) = ( 0.2567568 0.1406698 0.0976183), wk = 0.0035336 k( 126) = ( 0.2432432 0.1332662 0.0924805), wk = 0.0035336 k( 127) = ( 0.2297297 0.1258625 0.0873427), wk = 0.0035336 k( 128) = ( 0.2162162 0.1184588 0.0822049), wk = 0.0035336 k( 129) = ( 0.2027027 0.1110551 0.0770671), wk = 0.0035336 k( 130) = ( 0.1891892 0.1036515 0.0719293), wk = 0.0035336 k( 131) = ( 0.1756757 0.0962478 0.0667915), wk = 0.0035336 k( 132) = ( 0.1621622 0.0888441 0.0616537), wk = 0.0035336 k( 133) = ( 0.1486486 0.0814404 0.0565159), wk = 0.0035336 k( 134) = ( 0.1351351 0.0740368 0.0513781), wk = 0.0035336 k( 135) = ( 0.1216216 0.0666331 0.0462403), wk = 0.0035336 k( 136) = ( 0.1081081 0.0592294 0.0411025), wk = 0.0035336 k( 137) = ( 0.0945946 0.0518257 0.0359646), wk = 0.0035336 k( 138) = ( 0.0810811 0.0444221 0.0308268), wk = 0.0035336 k( 139) = ( 0.0675676 0.0370184 0.0256890), wk = 0.0035336 k( 140) = ( 0.0540540 0.0296147 0.0205512), wk = 0.0035336 k( 141) = ( 0.0405405 0.0222110 0.0154134), wk = 0.0035336 k( 142) = ( 0.0270270 0.0148074 0.0102756), wk = 0.0035336 k( 143) = ( 0.0135135 0.0074037 0.0051378), wk = 0.0035336 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 146) = ( 0.0078807 -0.0050333 -0.0134748), wk = 0.0035336 k( 147) = ( 0.0157614 -0.0100666 -0.0269497), wk = 0.0035336 k( 148) = ( 0.0236421 -0.0150999 -0.0404245), wk = 0.0035336 k( 149) = ( 0.0315228 -0.0201332 -0.0538993), wk = 0.0035336 k( 150) = ( 0.0394035 -0.0251665 -0.0673742), wk = 0.0035336 k( 151) = ( 0.0472842 -0.0301997 -0.0808490), wk = 0.0035336 k( 152) = ( 0.0551649 -0.0352330 -0.0943238), wk = 0.0035336 k( 153) = ( 0.0630456 -0.0402663 -0.1077987), wk = 0.0035336 k( 154) = ( 0.0709263 -0.0452996 -0.1212735), wk = 0.0035336 k( 155) = ( 0.0788070 -0.0503329 -0.1347483), wk = 0.0035336 k( 156) = ( 0.0866877 -0.0553662 -0.1482231), wk = 0.0035336 k( 157) = ( 0.0945684 -0.0603995 -0.1616980), wk = 0.0035336 k( 158) = ( 0.1024491 -0.0654328 -0.1751728), wk = 0.0035336 k( 159) = ( 0.1103298 -0.0704661 -0.1886476), wk = 0.0035336 k( 160) = ( 0.1182105 -0.0754994 -0.2021225), wk = 0.0035336 k( 161) = ( 0.1260912 -0.0805327 -0.2155973), wk = 0.0035336 k( 162) = ( 0.1339719 -0.0855659 -0.2290721), wk = 0.0035336 k( 163) = ( 0.1418526 -0.0905992 -0.2425470), wk = 0.0035336 k( 164) = ( 0.1497333 -0.0956325 -0.2560218), wk = 0.0035336 k( 165) = ( 0.1576140 -0.1006658 -0.2694966), wk = 0.0035336 k( 166) = ( 0.1654947 -0.1056991 -0.2829715), wk = 0.0035336 k( 167) = ( 0.1733754 -0.1107324 -0.2964463), wk = 0.0035336 k( 168) = ( 0.1812561 -0.1157657 -0.3099211), wk = 0.0035336 k( 169) = ( 0.1891368 -0.1207990 -0.3233960), wk = 0.0035336 k( 170) = ( 0.1970175 -0.1258323 -0.3368708), wk = 0.0035336 k( 171) = ( 0.2048982 -0.1308656 -0.3503456), wk = 0.0035336 k( 172) = ( 0.2127789 -0.1358989 -0.3638204), wk = 0.0035336 k( 173) = ( 0.2206596 -0.1409321 -0.3772953), wk = 0.0035336 k( 174) = ( 0.2285403 -0.1459654 -0.3907701), wk = 0.0035336 k( 175) = ( 0.2364210 -0.1509987 -0.4042449), wk = 0.0035336 k( 176) = ( 0.2443017 -0.1560320 -0.4177198), wk = 0.0035336 k( 177) = ( 0.2521824 -0.1610653 -0.4311946), wk = 0.0035336 k( 178) = ( 0.2600631 -0.1660986 -0.4446694), wk = 0.0035336 k( 179) = ( 0.2679437 -0.1711319 -0.4581443), wk = 0.0035336 k( 180) = ( 0.2758244 -0.1761652 -0.4716191), wk = 0.0035336 k( 181) = ( 0.2837052 -0.1811985 -0.4850939), wk = 0.0035336 k( 182) = ( 0.2915858 -0.1862318 -0.4985688), wk = 0.0035336 k( 183) = ( 0.2994665 -0.1912651 -0.5120436), wk = 0.0035336 k( 184) = ( 0.3073473 -0.1962983 -0.5255184), wk = 0.0035336 k( 185) = ( 0.3152279 -0.2013316 -0.5389932), wk = 0.0035336 k( 186) = ( 0.3231086 -0.2063649 -0.5524681), wk = 0.0035336 k( 187) = ( 0.3309893 -0.2113982 -0.5659429), wk = 0.0035336 k( 188) = ( 0.3388700 -0.2164315 -0.5794178), wk = 0.0035336 k( 189) = ( 0.3467507 -0.2214648 -0.5928926), wk = 0.0035336 k( 190) = ( 0.3546314 -0.2264981 -0.6063674), wk = 0.0035336 k( 191) = ( 0.3625121 -0.2315314 -0.6198423), wk = 0.0035336 k( 192) = ( 0.3703928 -0.2365647 -0.6333171), wk = 0.0035336 k( 193) = ( 0.6296072 0.0373713 -0.4432182), wk = 0.0035336 k( 194) = ( 0.6219832 0.0512869 -0.4432182), wk = 0.0035336 k( 195) = ( 0.6143593 0.0652025 -0.4432182), wk = 0.0035336 k( 196) = ( 0.6067353 0.0791180 -0.4432182), wk = 0.0035336 k( 197) = ( 0.5991114 0.0930336 -0.4432182), wk = 0.0035336 k( 198) = ( 0.5914874 0.1069492 -0.4432182), wk = 0.0035336 k( 199) = ( 0.5838635 0.1208648 -0.4432182), wk = 0.0035336 k( 200) = ( 0.5762395 0.1347803 -0.4432182), wk = 0.0035336 k( 201) = ( 0.5686156 0.1486959 -0.4432182), wk = 0.0035336 k( 202) = ( 0.5609916 0.1626115 -0.4432182), wk = 0.0035336 k( 203) = ( 0.5533677 0.1765270 -0.4432182), wk = 0.0035336 k( 204) = ( 0.5457437 0.1904426 -0.4432182), wk = 0.0035336 k( 205) = ( 0.5381198 0.2043582 -0.4432182), wk = 0.0035336 k( 206) = ( 0.5304958 0.2182737 -0.4432182), wk = 0.0035336 k( 207) = ( 0.5228719 0.2321893 -0.4432182), wk = 0.0035336 k( 208) = ( 0.5152479 0.2461049 -0.4432182), wk = 0.0035336 k( 209) = ( 0.5076240 0.2600204 -0.4432182), wk = 0.0035336 k( 210) = ( 0.5000000 0.2739360 -0.4432182), wk = 0.0035336 k( 211) = ( 0.5000000 0.2739360 -0.4432182), wk = 0.0035336 k( 212) = ( 0.5086405 0.2786699 -0.4305450), wk = 0.0035336 k( 213) = ( 0.5172810 0.2834038 -0.4178717), wk = 0.0035336 k( 214) = ( 0.5259214 0.2881376 -0.4051985), wk = 0.0035336 k( 215) = ( 0.5345619 0.2928715 -0.3925252), wk = 0.0035336 k( 216) = ( 0.5432024 0.2976054 -0.3798520), wk = 0.0035336 k( 217) = ( 0.5518429 0.3023393 -0.3671787), wk = 0.0035336 k( 218) = ( 0.5604833 0.3070731 -0.3545055), wk = 0.0035336 k( 219) = ( 0.5691238 0.3118070 -0.3418322), wk = 0.0035336 k( 220) = ( 0.5777643 0.3165409 -0.3291590), wk = 0.0035336 k( 221) = ( 0.5864048 0.3212748 -0.3164857), wk = 0.0035336 k( 222) = ( 0.5950452 0.3260086 -0.3038124), wk = 0.0035336 k( 223) = ( 0.6036857 0.3307425 -0.2911392), wk = 0.0035336 k( 224) = ( 0.6123262 0.3354764 -0.2784659), wk = 0.0035336 k( 225) = ( 0.6209667 0.3402103 -0.2657927), wk = 0.0035336 k( 226) = ( 0.6296072 0.3449442 -0.2531194), wk = 0.0035336 k( 227) = ( 0.6296072 0.3449442 -0.2531194), wk = 0.0035336 k( 228) = ( 0.6251380 0.3424956 -0.2378360), wk = 0.0035336 k( 229) = ( 0.6206687 0.3400470 -0.2225526), wk = 0.0035336 k( 230) = ( 0.6161995 0.3375985 -0.2072693), wk = 0.0035336 k( 231) = ( 0.6117303 0.3351499 -0.1919859), wk = 0.0035336 k( 232) = ( 0.6072611 0.3327014 -0.1767025), wk = 0.0035336 k( 233) = ( 0.6027919 0.3302528 -0.1614191), wk = 0.0035336 k( 234) = ( 0.5983227 0.3278043 -0.1461357), wk = 0.0035336 k( 235) = ( 0.5938535 0.3253557 -0.1308523), wk = 0.0035336 k( 236) = ( 0.5893843 0.3229071 -0.1155689), wk = 0.0035336 k( 237) = ( 0.5849150 0.3204586 -0.1002855), wk = 0.0035336 k( 238) = ( 0.5804458 0.3180100 -0.0850021), wk = 0.0035336 k( 239) = ( 0.5759766 0.3155615 -0.0697188), wk = 0.0035336 k( 240) = ( 0.5715074 0.3131129 -0.0544354), wk = 0.0035336 k( 241) = ( 0.5670382 0.3106644 -0.0391520), wk = 0.0035336 k( 242) = ( 0.5625690 0.3082158 -0.0238686), wk = 0.0035336 k( 243) = ( 0.5580998 0.3057672 -0.0085852), wk = 0.0035336 k( 244) = ( 0.5536306 0.3033187 0.0066982), wk = 0.0035336 k( 245) = ( 0.5491613 0.3008701 0.0219816), wk = 0.0035336 k( 246) = ( 0.5446921 0.2984216 0.0372650), wk = 0.0035336 k( 247) = ( 0.5402229 0.2959730 0.0525483), wk = 0.0035336 k( 248) = ( 0.5357537 0.2935245 0.0678317), wk = 0.0035336 k( 249) = ( 0.5312845 0.2910759 0.0831151), wk = 0.0035336 k( 250) = ( 0.5268153 0.2886274 0.0983985), wk = 0.0035336 k( 251) = ( 0.5223461 0.2861788 0.1136819), wk = 0.0035336 k( 252) = ( 0.5178769 0.2837302 0.1289653), wk = 0.0035336 k( 253) = ( 0.5134076 0.2812817 0.1442487), wk = 0.0035336 k( 254) = ( 0.5089384 0.2788331 0.1595320), wk = 0.0035336 k( 255) = ( 0.5044692 0.2763846 0.1748154), wk = 0.0035336 k( 256) = ( 0.5000000 0.2739360 0.1900988), wk = 0.0035336 k( 257) = ( 0.5000000 -0.3193429 -0.2216091), wk = 0.0035336 k( 258) = ( 0.5099698 -0.3088069 -0.2142976), wk = 0.0035336 k( 259) = ( 0.5199396 -0.2982709 -0.2069861), wk = 0.0035336 k( 260) = ( 0.5299093 -0.2877349 -0.1996746), wk = 0.0035336 k( 261) = ( 0.5398791 -0.2771989 -0.1923632), wk = 0.0035336 k( 262) = ( 0.5498489 -0.2666629 -0.1850517), wk = 0.0035336 k( 263) = ( 0.5598187 -0.2561269 -0.1777402), wk = 0.0035336 k( 264) = ( 0.5697885 -0.2455909 -0.1704287), wk = 0.0035336 k( 265) = ( 0.5797583 -0.2350549 -0.1631172), wk = 0.0035336 k( 266) = ( 0.5897280 -0.2245189 -0.1558057), wk = 0.0035336 k( 267) = ( 0.5996978 -0.2139829 -0.1484942), wk = 0.0035336 k( 268) = ( 0.6096676 -0.2034469 -0.1411827), wk = 0.0035336 k( 269) = ( 0.6196374 -0.1929109 -0.1338712), wk = 0.0035336 k( 270) = ( 0.6296072 -0.1823749 -0.1265597), wk = 0.0035336 k( 271) = ( 0.6395770 -0.1718389 -0.1192482), wk = 0.0035336 k( 272) = ( 0.6495467 -0.1613029 -0.1119367), wk = 0.0035336 k( 273) = ( 0.6595165 -0.1507669 -0.1046252), wk = 0.0035336 k( 274) = ( 0.6694863 -0.1402309 -0.0973137), wk = 0.0035336 k( 275) = ( 0.6794561 -0.1296949 -0.0900022), wk = 0.0035336 k( 276) = ( 0.6894259 -0.1191589 -0.0826907), wk = 0.0035336 k( 277) = ( 0.6993956 -0.1086229 -0.0753793), wk = 0.0035336 k( 278) = ( 0.7093654 -0.0980869 -0.0680678), wk = 0.0035336 k( 279) = ( 0.7193352 -0.0875509 -0.0607563), wk = 0.0035336 k( 280) = ( 0.7293050 -0.0770149 -0.0534448), wk = 0.0035336 k( 281) = ( 0.7392748 -0.0664789 -0.0461333), wk = 0.0035336 k( 282) = ( 0.7492446 -0.0559429 -0.0388218), wk = 0.0035336 k( 283) = ( 0.7592143 -0.0454069 -0.0315103), wk = 0.0035336 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0128205 0.0000000 -0.0000000), wk = 0.0035336 k( 3) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0035336 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0035336 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0035336 k( 6) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0035336 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0035336 k( 8) = ( 0.0897436 0.0000000 -0.0000000), wk = 0.0035336 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0035336 k( 10) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0035336 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0035336 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0035336 k( 13) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0035336 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0035336 k( 15) = ( 0.1794872 0.0000000 -0.0000000), wk = 0.0035336 k( 16) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0035336 k( 17) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0035336 k( 18) = ( 0.2179487 0.0000000 -0.0000000), wk = 0.0035336 k( 19) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0035336 k( 20) = ( 0.2435897 0.0000000 -0.0000000), wk = 0.0035336 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0035336 k( 22) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0035336 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0035336 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0035336 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0035336 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0035336 k( 27) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0035336 k( 28) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0035336 k( 29) = ( 0.3589744 0.0000000 -0.0000000), wk = 0.0035336 k( 30) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0035336 k( 31) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0035336 k( 32) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0035336 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0035336 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0035336 k( 35) = ( 0.4358974 0.0000000 -0.0000000), wk = 0.0035336 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0035336 k( 37) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0035336 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0035336 k( 39) = ( 0.4871795 0.0000000 -0.0000000), wk = 0.0035336 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035336 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035336 k( 42) = ( 0.5000000 0.0077673 -0.0077673), wk = 0.0035336 k( 43) = ( 0.5000000 0.0155346 -0.0155346), wk = 0.0035336 k( 44) = ( 0.5000000 0.0233018 -0.0233018), wk = 0.0035336 k( 45) = ( 0.5000000 0.0310691 -0.0310691), wk = 0.0035336 k( 46) = ( 0.5000000 0.0388364 -0.0388364), wk = 0.0035336 k( 47) = ( 0.5000000 0.0466037 -0.0466037), wk = 0.0035336 k( 48) = ( 0.5000000 0.0543710 -0.0543710), wk = 0.0035336 k( 49) = ( 0.5000000 0.0621382 -0.0621382), wk = 0.0035336 k( 50) = ( 0.5000000 0.0699055 -0.0699055), wk = 0.0035336 k( 51) = ( 0.5000000 0.0776728 -0.0776728), wk = 0.0035336 k( 52) = ( 0.5000000 0.0854401 -0.0854401), wk = 0.0035336 k( 53) = ( 0.5000000 0.0932074 -0.0932074), wk = 0.0035336 k( 54) = ( 0.5000000 0.1009746 -0.1009746), wk = 0.0035336 k( 55) = ( 0.5000000 0.1087419 -0.1087419), wk = 0.0035336 k( 56) = ( 0.5000000 0.1165092 -0.1165092), wk = 0.0035336 k( 57) = ( 0.5000000 0.1242765 -0.1242765), wk = 0.0035336 k( 58) = ( 0.5000000 0.1320437 -0.1320438), wk = 0.0035336 k( 59) = ( 0.5000000 0.1398110 -0.1398110), wk = 0.0035336 k( 60) = ( 0.5000000 0.1475783 -0.1475783), wk = 0.0035336 k( 61) = ( 0.5000000 0.1553456 -0.1553456), wk = 0.0035336 k( 62) = ( 0.5000000 0.1631129 -0.1631129), wk = 0.0035336 k( 63) = ( 0.5000000 0.1708802 -0.1708802), wk = 0.0035336 k( 64) = ( 0.5000000 0.1786474 -0.1786474), wk = 0.0035336 k( 65) = ( 0.5000000 0.1864147 -0.1864147), wk = 0.0035336 k( 66) = ( 0.5000000 0.1941820 -0.1941820), wk = 0.0035336 k( 67) = ( 0.5000000 0.2019493 -0.2019493), wk = 0.0035336 k( 68) = ( 0.5000000 0.2097166 -0.2097166), wk = 0.0035336 k( 69) = ( 0.5000000 0.2174838 -0.2174838), wk = 0.0035336 k( 70) = ( 0.5000000 0.2252511 -0.2252511), wk = 0.0035336 k( 71) = ( 0.5000000 0.2330184 -0.2330184), wk = 0.0035336 k( 72) = ( 0.5000000 0.2407857 -0.2407857), wk = 0.0035336 k( 73) = ( 0.7592143 0.5000000 0.2407857), wk = 0.0035336 k( 74) = ( 0.7513593 0.5000000 0.2486406), wk = 0.0035336 k( 75) = ( 0.7435044 0.5000000 0.2564956), wk = 0.0035336 k( 76) = ( 0.7356494 0.5000000 0.2643506), wk = 0.0035336 k( 77) = ( 0.7277944 0.5000000 0.2722056), wk = 0.0035336 k( 78) = ( 0.7199394 0.5000000 0.2800606), wk = 0.0035336 k( 79) = ( 0.7120844 0.5000000 0.2879156), wk = 0.0035336 k( 80) = ( 0.7042295 0.5000000 0.2957705), wk = 0.0035336 k( 81) = ( 0.6963745 0.5000000 0.3036255), wk = 0.0035336 k( 82) = ( 0.6885195 0.5000000 0.3114805), wk = 0.0035336 k( 83) = ( 0.6806645 0.5000000 0.3193355), wk = 0.0035336 k( 84) = ( 0.6728095 0.5000000 0.3271904), wk = 0.0035336 k( 85) = ( 0.6649546 0.5000000 0.3350454), wk = 0.0035336 k( 86) = ( 0.6570996 0.5000000 0.3429004), wk = 0.0035336 k( 87) = ( 0.6492446 0.5000000 0.3507554), wk = 0.0035336 k( 88) = ( 0.6413896 0.5000000 0.3586104), wk = 0.0035336 k( 89) = ( 0.6335347 0.5000000 0.3664653), wk = 0.0035336 k( 90) = ( 0.6256797 0.5000000 0.3743203), wk = 0.0035336 k( 91) = ( 0.6178247 0.5000000 0.3821753), wk = 0.0035336 k( 92) = ( 0.6099697 0.5000000 0.3900303), wk = 0.0035336 k( 93) = ( 0.6021147 0.5000000 0.3978853), wk = 0.0035336 k( 94) = ( 0.5942598 0.5000000 0.4057402), wk = 0.0035336 k( 95) = ( 0.5864048 0.5000000 0.4135952), wk = 0.0035336 k( 96) = ( 0.5785498 0.5000000 0.4214502), wk = 0.0035336 k( 97) = ( 0.5706948 0.5000000 0.4293052), wk = 0.0035336 k( 98) = ( 0.5628398 0.5000000 0.4371602), wk = 0.0035336 k( 99) = ( 0.5549849 0.5000000 0.4450151), wk = 0.0035336 k( 100) = ( 0.5471299 0.5000000 0.4528701), wk = 0.0035336 k( 101) = ( 0.5392749 0.5000000 0.4607251), wk = 0.0035336 k( 102) = ( 0.5314199 0.5000000 0.4685801), wk = 0.0035336 k( 103) = ( 0.5235649 0.5000000 0.4764351), wk = 0.0035336 k( 104) = ( 0.5157100 0.5000000 0.4842900), wk = 0.0035336 k( 105) = ( 0.5078550 0.5000000 0.4921450), wk = 0.0035336 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035336 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035336 k( 108) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0035336 k( 109) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0035336 k( 110) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0035336 k( 111) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0035336 k( 112) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0035336 k( 113) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0035336 k( 114) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0035336 k( 115) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0035336 k( 116) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0035336 k( 117) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0035336 k( 118) = ( 0.3513514 0.3513514 0.3513513), wk = 0.0035336 k( 119) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0035336 k( 120) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0035336 k( 121) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0035336 k( 122) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0035336 k( 123) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0035336 k( 124) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0035336 k( 125) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0035336 k( 126) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0035336 k( 127) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0035336 k( 128) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0035336 k( 129) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0035336 k( 130) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0035336 k( 131) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0035336 k( 132) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0035336 k( 133) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0035336 k( 134) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0035336 k( 135) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0035336 k( 136) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0035336 k( 137) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0035336 k( 138) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0035336 k( 139) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0035336 k( 140) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0035336 k( 141) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0035336 k( 142) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0035336 k( 143) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0035336 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 146) = ( 0.0078807 0.0000000 -0.0078807), wk = 0.0035336 k( 147) = ( 0.0157614 0.0000000 -0.0157614), wk = 0.0035336 k( 148) = ( 0.0236421 0.0000000 -0.0236421), wk = 0.0035336 k( 149) = ( 0.0315228 0.0000000 -0.0315228), wk = 0.0035336 k( 150) = ( 0.0394035 0.0000000 -0.0394035), wk = 0.0035336 k( 151) = ( 0.0472842 -0.0000000 -0.0472842), wk = 0.0035336 k( 152) = ( 0.0551649 -0.0000000 -0.0551649), wk = 0.0035336 k( 153) = ( 0.0630456 0.0000000 -0.0630456), wk = 0.0035336 k( 154) = ( 0.0709263 -0.0000000 -0.0709263), wk = 0.0035336 k( 155) = ( 0.0788070 -0.0000000 -0.0788070), wk = 0.0035336 k( 156) = ( 0.0866877 0.0000000 -0.0866877), wk = 0.0035336 k( 157) = ( 0.0945684 -0.0000000 -0.0945684), wk = 0.0035336 k( 158) = ( 0.1024491 -0.0000000 -0.1024491), wk = 0.0035336 k( 159) = ( 0.1103298 -0.0000000 -0.1103298), wk = 0.0035336 k( 160) = ( 0.1182105 -0.0000000 -0.1182105), wk = 0.0035336 k( 161) = ( 0.1260912 0.0000000 -0.1260912), wk = 0.0035336 k( 162) = ( 0.1339719 -0.0000000 -0.1339719), wk = 0.0035336 k( 163) = ( 0.1418526 -0.0000000 -0.1418526), wk = 0.0035336 k( 164) = ( 0.1497333 -0.0000000 -0.1497333), wk = 0.0035336 k( 165) = ( 0.1576140 0.0000000 -0.1576140), wk = 0.0035336 k( 166) = ( 0.1654947 0.0000000 -0.1654947), wk = 0.0035336 k( 167) = ( 0.1733754 0.0000000 -0.1733754), wk = 0.0035336 k( 168) = ( 0.1812561 0.0000000 -0.1812561), wk = 0.0035336 k( 169) = ( 0.1891368 -0.0000000 -0.1891368), wk = 0.0035336 k( 170) = ( 0.1970175 0.0000000 -0.1970175), wk = 0.0035336 k( 171) = ( 0.2048982 -0.0000000 -0.2048982), wk = 0.0035336 k( 172) = ( 0.2127789 -0.0000000 -0.2127789), wk = 0.0035336 k( 173) = ( 0.2206596 -0.0000000 -0.2206596), wk = 0.0035336 k( 174) = ( 0.2285403 -0.0000000 -0.2285403), wk = 0.0035336 k( 175) = ( 0.2364210 -0.0000000 -0.2364210), wk = 0.0035336 k( 176) = ( 0.2443017 -0.0000000 -0.2443017), wk = 0.0035336 k( 177) = ( 0.2521824 0.0000000 -0.2521824), wk = 0.0035336 k( 178) = ( 0.2600631 -0.0000000 -0.2600631), wk = 0.0035336 k( 179) = ( 0.2679437 -0.0000000 -0.2679437), wk = 0.0035336 k( 180) = ( 0.2758244 0.0000000 -0.2758244), wk = 0.0035336 k( 181) = ( 0.2837052 -0.0000000 -0.2837052), wk = 0.0035336 k( 182) = ( 0.2915858 0.0000000 -0.2915858), wk = 0.0035336 k( 183) = ( 0.2994665 -0.0000000 -0.2994666), wk = 0.0035336 k( 184) = ( 0.3073473 0.0000000 -0.3073473), wk = 0.0035336 k( 185) = ( 0.3152279 0.0000000 -0.3152279), wk = 0.0035336 k( 186) = ( 0.3231086 -0.0000000 -0.3231086), wk = 0.0035336 k( 187) = ( 0.3309893 0.0000000 -0.3309893), wk = 0.0035336 k( 188) = ( 0.3388700 -0.0000000 -0.3388700), wk = 0.0035336 k( 189) = ( 0.3467507 0.0000000 -0.3467507), wk = 0.0035336 k( 190) = ( 0.3546314 0.0000000 -0.3546314), wk = 0.0035336 k( 191) = ( 0.3625121 0.0000000 -0.3625121), wk = 0.0035336 k( 192) = ( 0.3703928 -0.0000000 -0.3703928), wk = 0.0035336 k( 193) = ( 0.6296072 0.3703928 -0.0000000), wk = 0.0035336 k( 194) = ( 0.6219832 0.3780168 -0.0000000), wk = 0.0035336 k( 195) = ( 0.6143593 0.3856407 -0.0000000), wk = 0.0035336 k( 196) = ( 0.6067353 0.3932647 -0.0000000), wk = 0.0035336 k( 197) = ( 0.5991114 0.4008886 -0.0000000), wk = 0.0035336 k( 198) = ( 0.5914874 0.4085126 -0.0000000), wk = 0.0035336 k( 199) = ( 0.5838635 0.4161365 -0.0000000), wk = 0.0035336 k( 200) = ( 0.5762395 0.4237605 -0.0000000), wk = 0.0035336 k( 201) = ( 0.5686156 0.4313844 -0.0000000), wk = 0.0035336 k( 202) = ( 0.5609916 0.4390084 -0.0000000), wk = 0.0035336 k( 203) = ( 0.5533677 0.4466323 -0.0000000), wk = 0.0035336 k( 204) = ( 0.5457437 0.4542563 -0.0000000), wk = 0.0035336 k( 205) = ( 0.5381198 0.4618803 -0.0000000), wk = 0.0035336 k( 206) = ( 0.5304958 0.4695042 -0.0000000), wk = 0.0035336 k( 207) = ( 0.5228719 0.4771281 -0.0000000), wk = 0.0035336 k( 208) = ( 0.5152479 0.4847521 -0.0000000), wk = 0.0035336 k( 209) = ( 0.5076240 0.4923761 -0.0000000), wk = 0.0035336 k( 210) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035336 k( 211) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035336 k( 212) = ( 0.5086405 0.5086405 0.0160524), wk = 0.0035336 k( 213) = ( 0.5172810 0.5172810 0.0321048), wk = 0.0035336 k( 214) = ( 0.5259214 0.5259214 0.0481571), wk = 0.0035336 k( 215) = ( 0.5345619 0.5345619 0.0642095), wk = 0.0035336 k( 216) = ( 0.5432024 0.5432024 0.0802619), wk = 0.0035336 k( 217) = ( 0.5518429 0.5518429 0.0963143), wk = 0.0035336 k( 218) = ( 0.5604833 0.5604833 0.1123666), wk = 0.0035336 k( 219) = ( 0.5691238 0.5691238 0.1284190), wk = 0.0035336 k( 220) = ( 0.5777643 0.5777643 0.1444714), wk = 0.0035336 k( 221) = ( 0.5864048 0.5864048 0.1605238), wk = 0.0035336 k( 222) = ( 0.5950452 0.5950452 0.1765762), wk = 0.0035336 k( 223) = ( 0.6036857 0.6036857 0.1926285), wk = 0.0035336 k( 224) = ( 0.6123262 0.6123262 0.2086809), wk = 0.0035336 k( 225) = ( 0.6209667 0.6209667 0.2247333), wk = 0.0035336 k( 226) = ( 0.6296072 0.6296072 0.2407857), wk = 0.0035336 k( 227) = ( 0.6296072 0.6296072 0.2407857), wk = 0.0035336 k( 228) = ( 0.6251380 0.6251380 0.2497241), wk = 0.0035336 k( 229) = ( 0.6206687 0.6206687 0.2586625), wk = 0.0035336 k( 230) = ( 0.6161995 0.6161995 0.2676009), wk = 0.0035336 k( 231) = ( 0.6117303 0.6117303 0.2765394), wk = 0.0035336 k( 232) = ( 0.6072611 0.6072611 0.2854778), wk = 0.0035336 k( 233) = ( 0.6027919 0.6027919 0.2944162), wk = 0.0035336 k( 234) = ( 0.5983227 0.5983227 0.3033546), wk = 0.0035336 k( 235) = ( 0.5938535 0.5938535 0.3122931), wk = 0.0035336 k( 236) = ( 0.5893843 0.5893843 0.3212315), wk = 0.0035336 k( 237) = ( 0.5849150 0.5849150 0.3301699), wk = 0.0035336 k( 238) = ( 0.5804458 0.5804458 0.3391083), wk = 0.0035336 k( 239) = ( 0.5759766 0.5759766 0.3480468), wk = 0.0035336 k( 240) = ( 0.5715074 0.5715074 0.3569852), wk = 0.0035336 k( 241) = ( 0.5670382 0.5670382 0.3659236), wk = 0.0035336 k( 242) = ( 0.5625690 0.5625690 0.3748621), wk = 0.0035336 k( 243) = ( 0.5580998 0.5580998 0.3838005), wk = 0.0035336 k( 244) = ( 0.5536306 0.5536306 0.3927389), wk = 0.0035336 k( 245) = ( 0.5491613 0.5491613 0.4016773), wk = 0.0035336 k( 246) = ( 0.5446921 0.5446921 0.4106158), wk = 0.0035336 k( 247) = ( 0.5402229 0.5402229 0.4195542), wk = 0.0035336 k( 248) = ( 0.5357537 0.5357537 0.4284926), wk = 0.0035336 k( 249) = ( 0.5312845 0.5312845 0.4374310), wk = 0.0035336 k( 250) = ( 0.5268153 0.5268153 0.4463695), wk = 0.0035336 k( 251) = ( 0.5223461 0.5223461 0.4553079), wk = 0.0035336 k( 252) = ( 0.5178769 0.5178769 0.4642463), wk = 0.0035336 k( 253) = ( 0.5134076 0.5134076 0.4731847), wk = 0.0035336 k( 254) = ( 0.5089384 0.5089384 0.4821232), wk = 0.0035336 k( 255) = ( 0.5044692 0.5044692 0.4910616), wk = 0.0035336 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035336 k( 257) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035336 k( 258) = ( 0.5099698 0.0142459 0.0142459), wk = 0.0035336 k( 259) = ( 0.5199396 0.0284918 0.0284918), wk = 0.0035336 k( 260) = ( 0.5299093 0.0427376 0.0427376), wk = 0.0035336 k( 261) = ( 0.5398791 0.0569835 0.0569835), wk = 0.0035336 k( 262) = ( 0.5498489 0.0712294 0.0712294), wk = 0.0035336 k( 263) = ( 0.5598187 0.0854753 0.0854753), wk = 0.0035336 k( 264) = ( 0.5697885 0.0997211 0.0997211), wk = 0.0035336 k( 265) = ( 0.5797583 0.1139670 0.1139670), wk = 0.0035336 k( 266) = ( 0.5897280 0.1282129 0.1282129), wk = 0.0035336 k( 267) = ( 0.5996978 0.1424588 0.1424588), wk = 0.0035336 k( 268) = ( 0.6096676 0.1567047 0.1567047), wk = 0.0035336 k( 269) = ( 0.6196374 0.1709505 0.1709505), wk = 0.0035336 k( 270) = ( 0.6296072 0.1851964 0.1851964), wk = 0.0035336 k( 271) = ( 0.6395770 0.1994423 0.1994423), wk = 0.0035336 k( 272) = ( 0.6495467 0.2136882 0.2136882), wk = 0.0035336 k( 273) = ( 0.6595165 0.2279341 0.2279340), wk = 0.0035336 k( 274) = ( 0.6694863 0.2421799 0.2421799), wk = 0.0035336 k( 275) = ( 0.6794561 0.2564258 0.2564258), wk = 0.0035336 k( 276) = ( 0.6894259 0.2706717 0.2706717), wk = 0.0035336 k( 277) = ( 0.6993956 0.2849176 0.2849176), wk = 0.0035336 k( 278) = ( 0.7093654 0.2991634 0.2991634), wk = 0.0035336 k( 279) = ( 0.7193352 0.3134093 0.3134093), wk = 0.0035336 k( 280) = ( 0.7293050 0.3276552 0.3276552), wk = 0.0035336 k( 281) = ( 0.7392748 0.3419011 0.3419011), wk = 0.0035336 k( 282) = ( 0.7492446 0.3561470 0.3561470), wk = 0.0035336 k( 283) = ( 0.7592143 0.3703928 0.3703928), wk = 0.0035336 Dense grid: 90191 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.59 Mb ( 646, 60) NL pseudopotentials 0.55 Mb ( 323, 112) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2505) G-vector shells 0.02 Mb ( 2011) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.37 Mb ( 646, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.21 Mb ( 112, 2, 60) The potential is recalculated from file : ./LiAsF6.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.2 secs Computing kpt #: 13 total cpu time spent up to now is 10.9 secs Computing kpt #: 14 total cpu time spent up to now is 11.6 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 13.1 secs Computing kpt #: 17 total cpu time spent up to now is 13.8 secs Computing kpt #: 18 total cpu time spent up to now is 14.6 secs Computing kpt #: 19 total cpu time spent up to now is 15.3 secs Computing kpt #: 20 total cpu time spent up to now is 16.0 secs Computing kpt #: 21 total cpu time spent up to now is 16.8 secs Computing kpt #: 22 total cpu time spent up to now is 17.6 secs Computing kpt #: 23 total cpu time spent up to now is 18.3 secs Computing kpt #: 24 total cpu time spent up to now is 19.1 secs Computing kpt #: 25 total cpu time spent up to now is 19.9 secs Computing kpt #: 26 total cpu time spent up to now is 20.7 secs Computing kpt #: 27 total cpu time spent up to now is 21.4 secs Computing kpt #: 28 total cpu time spent up to now is 22.2 secs Computing kpt #: 29 total cpu time spent up to now is 23.0 secs Computing kpt #: 30 total cpu time spent up to now is 23.8 secs Computing kpt #: 31 total cpu time spent up to now is 24.6 secs Computing kpt #: 32 total cpu time spent up to now is 25.4 secs Computing kpt #: 33 total cpu time spent up to now is 26.1 secs Computing kpt #: 34 total cpu time spent up to now is 26.9 secs Computing kpt #: 35 total cpu time spent up to now is 27.7 secs Computing kpt #: 36 total cpu time spent up to now is 28.5 secs Computing kpt #: 37 total cpu time spent up to now is 29.2 secs Computing kpt #: 38 total cpu time spent up to now is 30.0 secs Computing kpt #: 39 total cpu time spent up to now is 30.8 secs Computing kpt #: 40 total cpu time spent up to now is 31.6 secs Computing kpt #: 41 total cpu time spent up to now is 32.3 secs Computing kpt #: 42 total cpu time spent up to now is 33.1 secs Computing kpt #: 43 total cpu time spent up to now is 33.9 secs Computing kpt #: 44 total cpu time spent up to now is 34.6 secs Computing kpt #: 45 total cpu time spent up to now is 35.4 secs Computing kpt #: 46 total cpu time spent up to now is 36.2 secs Computing kpt #: 47 total cpu time spent up to now is 37.0 secs Computing kpt #: 48 total cpu time spent up to now is 37.7 secs Computing kpt #: 49 total cpu time spent up to now is 38.5 secs Computing kpt #: 50 total cpu time spent up to now is 39.3 secs Computing kpt #: 51 total cpu time spent up to now is 40.1 secs Computing kpt #: 52 total cpu time spent up to now is 40.9 secs Computing kpt #: 53 total cpu time spent up to now is 41.7 secs Computing kpt #: 54 total cpu time spent up to now is 42.5 secs Computing kpt #: 55 total cpu time spent up to now is 43.3 secs Computing kpt #: 56 total cpu time spent up to now is 44.1 secs Computing kpt #: 57 total cpu time spent up to now is 44.9 secs Computing kpt #: 58 total cpu time spent up to now is 45.7 secs Computing kpt #: 59 total cpu time spent up to now is 46.5 secs Computing kpt #: 60 total cpu time spent up to now is 47.3 secs Computing kpt #: 61 total cpu time spent up to now is 48.1 secs Computing kpt #: 62 total cpu time spent up to now is 49.0 secs Computing kpt #: 63 total cpu time spent up to now is 49.8 secs Computing kpt #: 64 total cpu time spent up to now is 50.6 secs Computing kpt #: 65 total cpu time spent up to now is 51.4 secs Computing kpt #: 66 total cpu time spent up to now is 52.3 secs Computing kpt #: 67 total cpu time spent up to now is 53.2 secs Computing kpt #: 68 total cpu time spent up to now is 54.0 secs Computing kpt #: 69 total cpu time spent up to now is 54.9 secs Computing kpt #: 70 total cpu time spent up to now is 55.7 secs Computing kpt #: 71 total cpu time spent up to now is 56.5 secs Computing kpt #: 72 total cpu time spent up to now is 57.4 secs Computing kpt #: 73 total cpu time spent up to now is 58.2 secs Computing kpt #: 74 total cpu time spent up to now is 59.0 secs Computing kpt #: 75 total cpu time spent up to now is 59.9 secs Computing kpt #: 76 total cpu time spent up to now is 60.7 secs Computing kpt #: 77 total cpu time spent up to now is 61.5 secs Computing kpt #: 78 total cpu time spent up to now is 62.3 secs Computing kpt #: 79 total cpu time spent up to now is 63.2 secs Computing kpt #: 80 total cpu time spent up to now is 64.0 secs Computing kpt #: 81 total cpu time spent up to now is 64.8 secs Computing kpt #: 82 total cpu time spent up to now is 65.6 secs Computing kpt #: 83 total cpu time spent up to now is 66.5 secs Computing kpt #: 84 total cpu time spent up to now is 67.3 secs Computing kpt #: 85 total cpu time spent up to now is 68.1 secs Computing kpt #: 86 total cpu time spent up to now is 69.0 secs Computing kpt #: 87 total cpu time spent up to now is 69.8 secs Computing kpt #: 88 total cpu time spent up to now is 70.6 secs Computing kpt #: 89 total cpu time spent up to now is 71.4 secs Computing kpt #: 90 total cpu time spent up to now is 72.4 secs Computing kpt #: 91 total cpu time spent up to now is 73.3 secs Computing kpt #: 92 total cpu time spent up to now is 74.1 secs Computing kpt #: 93 total cpu time spent up to now is 74.9 secs Computing kpt #: 94 total cpu time spent up to now is 75.7 secs Computing kpt #: 95 total cpu time spent up to now is 76.5 secs Computing kpt #: 96 total cpu time spent up to now is 77.3 secs Computing kpt #: 97 total cpu time spent up to now is 78.1 secs Computing kpt #: 98 total cpu time spent up to now is 78.9 secs Computing kpt #: 99 total cpu time spent up to now is 79.6 secs Computing kpt #: 100 total cpu time spent up to now is 80.4 secs Computing kpt #: 101 total cpu time spent up to now is 81.2 secs Computing kpt #: 102 total cpu time spent up to now is 81.9 secs Computing kpt #: 103 total cpu time spent up to now is 82.7 secs Computing kpt #: 104 total cpu time spent up to now is 83.4 secs Computing kpt #: 105 total cpu time spent up to now is 84.2 secs Computing kpt #: 106 total cpu time spent up to now is 84.9 secs Computing kpt #: 107 total cpu time spent up to now is 85.6 secs Computing kpt #: 108 total cpu time spent up to now is 86.4 secs Computing kpt #: 109 total cpu time spent up to now is 87.2 secs Computing kpt #: 110 total cpu time spent up to now is 87.9 secs Computing kpt #: 111 total cpu time spent up to now is 88.7 secs Computing kpt #: 112 total cpu time spent up to now is 89.5 secs Computing kpt #: 113 total cpu time spent up to now is 90.3 secs Computing kpt #: 114 total cpu time spent up to now is 91.0 secs Computing kpt #: 115 total cpu time spent up to now is 91.8 secs Computing kpt #: 116 total cpu time spent up to now is 92.6 secs Computing kpt #: 117 total cpu time spent up to now is 93.3 secs Computing kpt #: 118 total cpu time spent up to now is 94.1 secs Computing kpt #: 119 total cpu time spent up to now is 94.9 secs Computing kpt #: 120 total cpu time spent up to now is 95.6 secs Computing kpt #: 121 total cpu time spent up to now is 96.4 secs Computing kpt #: 122 total cpu time spent up to now is 97.1 secs Computing kpt #: 123 total cpu time spent up to now is 97.9 secs Computing kpt #: 124 total cpu time spent up to now is 98.6 secs Computing kpt #: 125 total cpu time spent up to now is 99.4 secs Computing kpt #: 126 total cpu time spent up to now is 100.1 secs Computing kpt #: 127 total cpu time spent up to now is 100.8 secs Computing kpt #: 128 total cpu time spent up to now is 101.6 secs Computing kpt #: 129 total cpu time spent up to now is 102.3 secs Computing kpt #: 130 total cpu time spent up to now is 103.0 secs Computing kpt #: 131 total cpu time spent up to now is 103.8 secs Computing kpt #: 132 total cpu time spent up to now is 104.5 secs Computing kpt #: 133 total cpu time spent up to now is 105.2 secs Computing kpt #: 134 total cpu time spent up to now is 105.9 secs Computing kpt #: 135 total cpu time spent up to now is 106.7 secs Computing kpt #: 136 total cpu time spent up to now is 107.4 secs Computing kpt #: 137 total cpu time spent up to now is 108.1 secs Computing kpt #: 138 total cpu time spent up to now is 108.9 secs Computing kpt #: 139 total cpu time spent up to now is 109.6 secs Computing kpt #: 140 total cpu time spent up to now is 110.3 secs Computing kpt #: 141 total cpu time spent up to now is 111.0 secs Computing kpt #: 142 total cpu time spent up to now is 111.7 secs Computing kpt #: 143 total cpu time spent up to now is 112.4 secs Computing kpt #: 144 total cpu time spent up to now is 113.1 secs Computing kpt #: 145 total cpu time spent up to now is 113.9 secs Computing kpt #: 146 total cpu time spent up to now is 114.6 secs Computing kpt #: 147 total cpu time spent up to now is 115.3 secs Computing kpt #: 148 total cpu time spent up to now is 116.0 secs Computing kpt #: 149 total cpu time spent up to now is 116.7 secs Computing kpt #: 150 total cpu time spent up to now is 117.4 secs Computing kpt #: 151 total cpu time spent up to now is 118.2 secs Computing kpt #: 152 total cpu time spent up to now is 118.9 secs Computing kpt #: 153 total cpu time spent up to now is 119.6 secs Computing kpt #: 154 total cpu time spent up to now is 120.3 secs Computing kpt #: 155 total cpu time spent up to now is 121.1 secs Computing kpt #: 156 total cpu time spent up to now is 121.8 secs Computing kpt #: 157 total cpu time spent up to now is 122.5 secs Computing kpt #: 158 total cpu time spent up to now is 123.2 secs Computing kpt #: 159 total cpu time spent up to now is 124.0 secs Computing kpt #: 160 total cpu time spent up to now is 124.7 secs Computing kpt #: 161 total cpu time spent up to now is 125.5 secs Computing kpt #: 162 total cpu time spent up to now is 126.2 secs Computing kpt #: 163 total cpu time spent up to now is 127.0 secs Computing kpt #: 164 total cpu time spent up to now is 127.8 secs Computing kpt #: 165 total cpu time spent up to now is 128.5 secs Computing kpt #: 166 total cpu time spent up to now is 129.3 secs Computing kpt #: 167 total cpu time spent up to now is 130.0 secs Computing kpt #: 168 total cpu time spent up to now is 130.8 secs Computing kpt #: 169 total cpu time spent up to now is 131.6 secs Computing kpt #: 170 total cpu time spent up to now is 132.4 secs Computing kpt #: 171 total cpu time spent up to now is 133.2 secs Computing kpt #: 172 total cpu time spent up to now is 133.9 secs Computing kpt #: 173 total cpu time spent up to now is 134.7 secs Computing kpt #: 174 total cpu time spent up to now is 135.5 secs Computing kpt #: 175 total cpu time spent up to now is 136.3 secs Computing kpt #: 176 total cpu time spent up to now is 137.2 secs Computing kpt #: 177 total cpu time spent up to now is 138.0 secs Computing kpt #: 178 total cpu time spent up to now is 138.8 secs Computing kpt #: 179 total cpu time spent up to now is 139.6 secs Computing kpt #: 180 total cpu time spent up to now is 140.4 secs Computing kpt #: 181 total cpu time spent up to now is 141.2 secs Computing kpt #: 182 total cpu time spent up to now is 142.1 secs Computing kpt #: 183 total cpu time spent up to now is 142.9 secs Computing kpt #: 184 total cpu time spent up to now is 143.7 secs Computing kpt #: 185 total cpu time spent up to now is 144.5 secs Computing kpt #: 186 total cpu time spent up to now is 145.4 secs Computing kpt #: 187 total cpu time spent up to now is 146.2 secs Computing kpt #: 188 total cpu time spent up to now is 147.0 secs Computing kpt #: 189 total cpu time spent up to now is 147.8 secs Computing kpt #: 190 total cpu time spent up to now is 148.6 secs Computing kpt #: 191 total cpu time spent up to now is 149.4 secs Computing kpt #: 192 total cpu time spent up to now is 150.2 secs Computing kpt #: 193 total cpu time spent up to now is 151.1 secs Computing kpt #: 194 total cpu time spent up to now is 151.9 secs Computing kpt #: 195 total cpu time spent up to now is 152.7 secs Computing kpt #: 196 total cpu time spent up to now is 153.5 secs Computing kpt #: 197 total cpu time spent up to now is 154.3 secs Computing kpt #: 198 total cpu time spent up to now is 155.2 secs Computing kpt #: 199 total cpu time spent up to now is 156.0 secs Computing kpt #: 200 total cpu time spent up to now is 156.8 secs Computing kpt #: 201 total cpu time spent up to now is 157.6 secs Computing kpt #: 202 total cpu time spent up to now is 158.4 secs Computing kpt #: 203 total cpu time spent up to now is 159.2 secs Computing kpt #: 204 total cpu time spent up to now is 160.1 secs Computing kpt #: 205 total cpu time spent up to now is 160.9 secs Computing kpt #: 206 total cpu time spent up to now is 161.7 secs Computing kpt #: 207 total cpu time spent up to now is 162.5 secs Computing kpt #: 208 total cpu time spent up to now is 163.3 secs Computing kpt #: 209 total cpu time spent up to now is 164.1 secs Computing kpt #: 210 total cpu time spent up to now is 165.0 secs Computing kpt #: 211 total cpu time spent up to now is 165.8 secs Computing kpt #: 212 total cpu time spent up to now is 166.6 secs Computing kpt #: 213 total cpu time spent up to now is 167.4 secs Computing kpt #: 214 total cpu time spent up to now is 168.2 secs Computing kpt #: 215 total cpu time spent up to now is 169.0 secs Computing kpt #: 216 total cpu time spent up to now is 169.9 secs Computing kpt #: 217 total cpu time spent up to now is 170.7 secs Computing kpt #: 218 total cpu time spent up to now is 171.5 secs Computing kpt #: 219 total cpu time spent up to now is 172.3 secs Computing kpt #: 220 total cpu time spent up to now is 173.1 secs Computing kpt #: 221 total cpu time spent up to now is 174.0 secs Computing kpt #: 222 total cpu time spent up to now is 174.8 secs Computing kpt #: 223 total cpu time spent up to now is 175.6 secs Computing kpt #: 224 total cpu time spent up to now is 176.5 secs Computing kpt #: 225 total cpu time spent up to now is 177.4 secs Computing kpt #: 226 total cpu time spent up to now is 178.2 secs Computing kpt #: 227 total cpu time spent up to now is 179.1 secs Computing kpt #: 228 total cpu time spent up to now is 180.1 secs Computing kpt #: 229 total cpu time spent up to now is 181.1 secs Computing kpt #: 230 total cpu time spent up to now is 182.0 secs Computing kpt #: 231 total cpu time spent up to now is 183.0 secs Computing kpt #: 232 total cpu time spent up to now is 184.0 secs Computing kpt #: 233 total cpu time spent up to now is 185.0 secs Computing kpt #: 234 total cpu time spent up to now is 185.9 secs Computing kpt #: 235 total cpu time spent up to now is 186.7 secs Computing kpt #: 236 total cpu time spent up to now is 187.6 secs Computing kpt #: 237 total cpu time spent up to now is 188.4 secs Computing kpt #: 238 total cpu time spent up to now is 189.2 secs Computing kpt #: 239 total cpu time spent up to now is 190.1 secs Computing kpt #: 240 total cpu time spent up to now is 190.9 secs Computing kpt #: 241 total cpu time spent up to now is 191.7 secs Computing kpt #: 242 total cpu time spent up to now is 192.5 secs Computing kpt #: 243 total cpu time spent up to now is 193.4 secs Computing kpt #: 244 total cpu time spent up to now is 194.2 secs Computing kpt #: 245 total cpu time spent up to now is 195.0 secs Computing kpt #: 246 total cpu time spent up to now is 195.7 secs Computing kpt #: 247 total cpu time spent up to now is 196.5 secs Computing kpt #: 248 total cpu time spent up to now is 197.3 secs Computing kpt #: 249 total cpu time spent up to now is 198.1 secs Computing kpt #: 250 total cpu time spent up to now is 198.9 secs Computing kpt #: 251 total cpu time spent up to now is 199.6 secs Computing kpt #: 252 total cpu time spent up to now is 200.4 secs Computing kpt #: 253 total cpu time spent up to now is 201.1 secs Computing kpt #: 254 total cpu time spent up to now is 201.9 secs Computing kpt #: 255 total cpu time spent up to now is 202.6 secs Computing kpt #: 256 total cpu time spent up to now is 203.4 secs Computing kpt #: 257 total cpu time spent up to now is 204.1 secs Computing kpt #: 258 total cpu time spent up to now is 204.9 secs Computing kpt #: 259 total cpu time spent up to now is 205.7 secs Computing kpt #: 260 total cpu time spent up to now is 206.4 secs Computing kpt #: 261 total cpu time spent up to now is 207.4 secs Computing kpt #: 262 total cpu time spent up to now is 208.2 secs Computing kpt #: 263 total cpu time spent up to now is 209.0 secs Computing kpt #: 264 total cpu time spent up to now is 209.7 secs Computing kpt #: 265 total cpu time spent up to now is 210.5 secs Computing kpt #: 266 total cpu time spent up to now is 211.3 secs Computing kpt #: 267 total cpu time spent up to now is 212.1 secs Computing kpt #: 268 total cpu time spent up to now is 212.9 secs Computing kpt #: 269 total cpu time spent up to now is 213.7 secs Computing kpt #: 270 total cpu time spent up to now is 214.5 secs Computing kpt #: 271 total cpu time spent up to now is 215.3 secs Computing kpt #: 272 total cpu time spent up to now is 216.1 secs Computing kpt #: 273 total cpu time spent up to now is 216.9 secs Computing kpt #: 274 total cpu time spent up to now is 217.7 secs Computing kpt #: 275 total cpu time spent up to now is 218.5 secs Computing kpt #: 276 total cpu time spent up to now is 219.3 secs Computing kpt #: 277 total cpu time spent up to now is 220.1 secs Computing kpt #: 278 total cpu time spent up to now is 220.9 secs Computing kpt #: 279 total cpu time spent up to now is 221.8 secs Computing kpt #: 280 total cpu time spent up to now is 222.6 secs Computing kpt #: 281 total cpu time spent up to now is 223.4 secs Computing kpt #: 282 total cpu time spent up to now is 224.3 secs Computing kpt #: 283 total cpu time spent up to now is 225.2 secs ethr = 2.00E-08, avg # of iterations = 15.1 total cpu time spent up to now is 225.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.9895 -22.9895 -21.2798 -21.2798 -21.2660 -21.2660 -21.1297 -21.1297 -20.5663 -20.5663 -20.5658 -20.5658 -9.1632 -9.1632 -5.3993 -5.3993 -5.3426 -5.3426 -5.0456 -5.0456 -3.1112 -3.1112 -3.0078 -3.0078 -2.9837 -2.9837 -2.2777 -2.2777 -2.2699 -2.2699 -1.7136 -1.7136 -1.0849 -1.0849 -1.0599 -1.0599 -0.9635 -0.9635 -0.9597 -0.9597 -0.8471 -0.8471 -0.8450 -0.8450 -0.5279 -0.5279 -0.5070 -0.5070 5.0908 5.0908 10.6270 10.6270 10.6805 10.6805 11.5552 11.5552 11.7559 11.7559 k = 0.0128-0.0082-0.0057 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.9893 -22.9893 -21.2799 -21.2799 -21.2661 -21.2661 -21.1296 -21.1296 -20.5664 -20.5664 -20.5659 -20.5659 -9.1629 -9.1629 -5.3990 -5.3990 -5.3423 -5.3423 -5.0456 -5.0456 -3.1106 -3.1106 -3.0074 -3.0074 -2.9834 -2.9834 -2.2785 -2.2785 -2.2707 -2.2707 -1.7128 -1.7128 -1.0855 -1.0855 -1.0604 -1.0604 -0.9645 -0.9645 -0.9608 -0.9608 -0.8471 -0.8471 -0.8443 -0.8443 -0.5278 -0.5278 -0.5070 -0.5070 5.0920 5.0920 10.6226 10.6226 10.6847 10.6847 11.5568 11.5568 11.7573 11.7573 k = 0.0256-0.0164-0.0114 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.9888 -22.9888 -21.2803 -21.2803 -21.2665 -21.2665 -21.1296 -21.1296 -20.5666 -20.5666 -20.5659 -20.5659 -9.1619 -9.1619 -5.3982 -5.3982 -5.3415 -5.3415 -5.0453 -5.0453 -3.1088 -3.1088 -3.0064 -3.0064 -2.9821 -2.9821 -2.2809 -2.2809 -2.2731 -2.2731 -1.7105 -1.7105 -1.0875 -1.0875 -1.0617 -1.0617 -0.9687 -0.9687 -0.9627 -0.9627 -0.8483 -0.8483 -0.8414 -0.8414 -0.5275 -0.5275 -0.5068 -0.5068 5.0956 5.0956 10.6120 10.6120 10.6951 10.6951 11.5612 11.5612 11.7614 11.7614 k = 0.0385-0.0246-0.0170 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.9878 -22.9878 -21.2810 -21.2810 -21.2670 -21.2670 -21.1294 -21.1294 -20.5670 -20.5670 -20.5660 -20.5660 -9.1604 -9.1604 -5.3970 -5.3970 -5.3400 -5.3400 -5.0448 -5.0448 -3.1059 -3.1059 -3.0051 -3.0051 -2.9798 -2.9798 -2.2852 -2.2852 -2.2767 -2.2767 -1.7067 -1.7067 -1.0911 -1.0911 -1.0638 -1.0638 -0.9763 -0.9763 -0.9646 -0.9646 -0.8507 -0.8507 -0.8364 -0.8364 -0.5271 -0.5271 -0.5065 -0.5065 5.1016 5.1016 10.5984 10.5984 10.7084 10.7084 11.5681 11.5681 11.7687 11.7687 k = 0.0513-0.0328-0.0227 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.9865 -22.9865 -21.2820 -21.2820 -21.2678 -21.2678 -21.1292 -21.1292 -20.5675 -20.5675 -20.5661 -20.5661 -9.1582 -9.1582 -5.3954 -5.3954 -5.3378 -5.3378 -5.0441 -5.0441 -3.1018 -3.1018 -3.0039 -3.0039 -2.9759 -2.9759 -2.2915 -2.2915 -2.2814 -2.2814 -1.7014 -1.7014 -1.0965 -1.0965 -1.0666 -1.0666 -0.9864 -0.9864 -0.9669 -0.9669 -0.8539 -0.8539 -0.8302 -0.8302 -0.5266 -0.5266 -0.5061 -0.5061 5.1098 5.1098 10.5833 10.5833 10.7234 10.7234 11.5766 11.5766 11.7796 11.7796 k = 0.0641-0.0409-0.0284 ( 11255 PWs) bands (ev): -41.4046 -41.4046 -22.9847 -22.9847 -21.2835 -21.2835 -21.2685 -21.2685 -21.1289 -21.1289 -20.5681 -20.5681 -20.5662 -20.5662 -9.1555 -9.1555 -5.3935 -5.3935 -5.3349 -5.3349 -5.0432 -5.0432 -3.0966 -3.0966 -3.0030 -3.0030 -2.9703 -2.9703 -2.2997 -2.2997 -2.2871 -2.2871 -1.6948 -1.6948 -1.1041 -1.1041 -1.0699 -1.0699 -0.9981 -0.9981 -0.9697 -0.9697 -0.8578 -0.8578 -0.8231 -0.8231 -0.5260 -0.5260 -0.5056 -0.5056 5.1203 5.1203 10.5675 10.5675 10.7397 10.7397 11.5857 11.5857 11.7946 11.7946 k = 0.0769-0.0491-0.0341 ( 11249 PWs) bands (ev): -41.4046 -41.4046 -22.9827 -22.9827 -21.2855 -21.2855 -21.2693 -21.2693 -21.1286 -21.1286 -20.5689 -20.5689 -20.5663 -20.5663 -9.1522 -9.1522 -5.3916 -5.3916 -5.3310 -5.3310 -5.0420 -5.0420 -3.0903 -3.0903 -3.0026 -3.0026 -2.9628 -2.9628 -2.3096 -2.3096 -2.2936 -2.2936 -1.6871 -1.6871 -1.1143 -1.1143 -1.0737 -1.0737 -1.0109 -1.0109 -0.9730 -0.9730 -0.8620 -0.8620 -0.8155 -0.8155 -0.5254 -0.5254 -0.5051 -0.5051 5.1329 5.1329 10.5514 10.5514 10.7573 10.7573 11.5947 11.5947 11.8140 11.8140 k = 0.0897-0.0573-0.0398 ( 11245 PWs) bands (ev): -41.4046 -41.4046 -22.9802 -22.9802 -21.2881 -21.2881 -21.2700 -21.2700 -21.1282 -21.1282 -20.5699 -20.5699 -20.5665 -20.5665 -9.1483 -9.1483 -5.3897 -5.3897 -5.3261 -5.3261 -5.0406 -5.0406 -3.0829 -3.0829 -3.0027 -3.0027 -2.9535 -2.9535 -2.3210 -2.3210 -2.3012 -2.3012 -1.6784 -1.6784 -1.1275 -1.1275 -1.0778 -1.0778 -1.0244 -1.0244 -0.9768 -0.9768 -0.8665 -0.8665 -0.8075 -0.8075 -0.5248 -0.5248 -0.5046 -0.5046 5.1475 5.1475 10.5354 10.5354 10.7761 10.7761 11.6028 11.6028 11.8381 11.8381 k = 0.1026-0.0655-0.0455 ( 11253 PWs) bands (ev): -41.4046 -41.4046 -22.9775 -22.9775 -21.2912 -21.2912 -21.2705 -21.2705 -21.1277 -21.1277 -20.5710 -20.5710 -20.5666 -20.5666 -9.1438 -9.1438 -5.3881 -5.3881 -5.3201 -5.3201 -5.0388 -5.0388 -3.0746 -3.0746 -3.0031 -3.0031 -2.9426 -2.9426 -2.3336 -2.3336 -2.3096 -2.3096 -1.6688 -1.6688 -1.1438 -1.1438 -1.0823 -1.0823 -1.0382 -1.0382 -0.9809 -0.9809 -0.8710 -0.8710 -0.7993 -0.7993 -0.5243 -0.5243 -0.5042 -0.5042 5.1640 5.1640 10.5196 10.5196 10.7962 10.7962 11.6098 11.6098 11.8666 11.8666 k = 0.1154-0.0737-0.0511 ( 11259 PWs) bands (ev): -41.4046 -41.4046 -22.9744 -22.9744 -21.2948 -21.2948 -21.2710 -21.2710 -21.1271 -21.1271 -20.5722 -20.5722 -20.5668 -20.5668 -9.1389 -9.1389 -5.3867 -5.3867 -5.3130 -5.3130 -5.0366 -5.0366 -3.0654 -3.0654 -3.0039 -3.0039 -2.9302 -2.9302 -2.3473 -2.3473 -2.3191 -2.3191 -1.6585 -1.6585 -1.1632 -1.1632 -1.0872 -1.0872 -1.0523 -1.0523 -0.9853 -0.9853 -0.8753 -0.8753 -0.7910 -0.7910 -0.5239 -0.5239 -0.5039 -0.5039 5.1822 5.1822 10.5045 10.5045 10.8177 10.8177 11.6154 11.6154 11.8992 11.8992 k = 0.1282-0.0819-0.0568 ( 11267 PWs) bands (ev): -41.4046 -41.4046 -22.9709 -22.9709 -21.2990 -21.2990 -21.2714 -21.2714 -21.1264 -21.1264 -20.5735 -20.5735 -20.5670 -20.5670 -9.1335 -9.1335 -5.3857 -5.3857 -5.3048 -5.3048 -5.0340 -5.0340 -3.0553 -3.0553 -3.0048 -3.0048 -2.9165 -2.9165 -2.3616 -2.3616 -2.3294 -2.3294 -1.6477 -1.6477 -1.1857 -1.1857 -1.0924 -1.0924 -1.0668 -1.0668 -0.9898 -0.9898 -0.8794 -0.8794 -0.7825 -0.7825 -0.5236 -0.5236 -0.5037 -0.5037 5.2020 5.2020 10.4902 10.4902 10.8405 10.8405 11.6199 11.6199 11.9352 11.9352 k = 0.1410-0.0901-0.0625 ( 11263 PWs) bands (ev): -41.4046 -41.4046 -22.9672 -22.9672 -21.3037 -21.3037 -21.2717 -21.2717 -21.1257 -21.1257 -20.5750 -20.5750 -20.5672 -20.5672 -9.1276 -9.1276 -5.3851 -5.3851 -5.2954 -5.2954 -5.0309 -5.0309 -3.0446 -3.0446 -3.0060 -3.0060 -2.9016 -2.9016 -2.3763 -2.3763 -2.3406 -2.3406 -1.6366 -1.6366 -1.2108 -1.2108 -1.0982 -1.0982 -1.0816 -1.0816 -0.9941 -0.9941 -0.8831 -0.8831 -0.7741 -0.7741 -0.5235 -0.5235 -0.5037 -0.5037 5.2232 5.2232 10.4770 10.4770 10.8646 10.8646 11.6234 11.6234 11.9739 11.9739 k = 0.1538-0.0983-0.0682 ( 11250 PWs) bands (ev): -41.4046 -41.4046 -22.9633 -22.9633 -21.3088 -21.3088 -21.2719 -21.2719 -21.1249 -21.1249 -20.5765 -20.5765 -20.5674 -20.5674 -9.1213 -9.1213 -5.3848 -5.3848 -5.2850 -5.2850 -5.0274 -5.0274 -3.0334 -3.0334 -3.0072 -3.0072 -2.8857 -2.8857 -2.3912 -2.3912 -2.3526 -2.3526 -1.6252 -1.6252 -1.2383 -1.2383 -1.1052 -1.1052 -1.0961 -1.0961 -0.9983 -0.9983 -0.8864 -0.8864 -0.7656 -0.7656 -0.5236 -0.5236 -0.5039 -0.5039 5.2456 5.2456 10.4651 10.4651 10.8899 10.8899 11.6262 11.6262 12.0147 12.0147 k = 0.1667-0.1064-0.0739 ( 11246 PWs) bands (ev): -41.4046 -41.4046 -22.9590 -22.9590 -21.3143 -21.3143 -21.2722 -21.2722 -21.1240 -21.1240 -20.5782 -20.5782 -20.5677 -20.5677 -9.1146 -9.1146 -5.3850 -5.3850 -5.2737 -5.2737 -5.0233 -5.0233 -3.0224 -3.0224 -3.0080 -3.0080 -2.8688 -2.8688 -2.4058 -2.4058 -2.3653 -2.3653 -1.6138 -1.6138 -1.2679 -1.2679 -1.1170 -1.1170 -1.1070 -1.1070 -1.0022 -1.0022 -0.8893 -0.8893 -0.7572 -0.7572 -0.5240 -0.5240 -0.5043 -0.5043 5.2690 5.2690 10.4547 10.4547 10.9164 10.9164 11.6285 11.6285 12.0568 12.0568 k = 0.1795-0.1146-0.0796 ( 11252 PWs) bands (ev): -41.4046 -41.4046 -22.9545 -22.9545 -21.3201 -21.3201 -21.2723 -21.2723 -21.1230 -21.1230 -20.5799 -20.5799 -20.5679 -20.5679 -9.1076 -9.1076 -5.3854 -5.3854 -5.2615 -5.2615 -5.0187 -5.0187 -3.0156 -3.0156 -3.0046 -3.0046 -2.8513 -2.8513 -2.4199 -2.4199 -2.3787 -2.3787 -1.6026 -1.6026 -1.2992 -1.2992 -1.1333 -1.1333 -1.1144 -1.1144 -1.0058 -1.0058 -0.8919 -0.8919 -0.7488 -0.7488 -0.5247 -0.5247 -0.5048 -0.5048 5.2933 5.2933 10.4458 10.4458 10.9440 10.9440 11.6304 11.6304 12.0995 12.0995 k = 0.1923-0.1228-0.0852 ( 11249 PWs) bands (ev): -41.4046 -41.4046 -22.9499 -22.9499 -21.3263 -21.3263 -21.2725 -21.2725 -21.1220 -21.1220 -20.5818 -20.5818 -20.5682 -20.5682 -9.1003 -9.1003 -5.3863 -5.3863 -5.2486 -5.2486 -5.0134 -5.0134 -3.0162 -3.0162 -2.9941 -2.9941 -2.8331 -2.8331 -2.4330 -2.4330 -2.3926 -2.3926 -1.5917 -1.5917 -1.3320 -1.3320 -1.1511 -1.1511 -1.1212 -1.1212 -1.0089 -1.0089 -0.8942 -0.8942 -0.7406 -0.7406 -0.5257 -0.5257 -0.5055 -0.5055 5.3182 5.3182 10.4387 10.4387 10.9726 10.9726 11.6321 11.6321 12.1421 12.1421 k = 0.2051-0.1310-0.0909 ( 11255 PWs) bands (ev): -41.4046 -41.4046 -22.9450 -22.9450 -21.3327 -21.3327 -21.2727 -21.2727 -21.1209 -21.1209 -20.5837 -20.5837 -20.5684 -20.5684 -9.0928 -9.0928 -5.3874 -5.3874 -5.2351 -5.2351 -5.0076 -5.0076 -3.0188 -3.0188 -2.9820 -2.9820 -2.8145 -2.8145 -2.4447 -2.4447 -2.4069 -2.4069 -1.5815 -1.5815 -1.3660 -1.3660 -1.1698 -1.1698 -1.1281 -1.1281 -1.0115 -1.0115 -0.8961 -0.8961 -0.7325 -0.7325 -0.5271 -0.5271 -0.5063 -0.5063 5.3436 5.3436 10.4334 10.4334 11.0020 11.0020 11.6337 11.6337 12.1841 12.1841 k = 0.2179-0.1392-0.0966 ( 11250 PWs) bands (ev): -41.4046 -41.4046 -22.9400 -22.9400 -21.3393 -21.3393 -21.2728 -21.2728 -21.1197 -21.1197 -20.5856 -20.5856 -20.5687 -20.5687 -9.0850 -9.0850 -5.3888 -5.3888 -5.2210 -5.2210 -5.0010 -5.0010 -3.0224 -3.0224 -2.9698 -2.9698 -2.7955 -2.7955 -2.4548 -2.4548 -2.4213 -2.4213 -1.5721 -1.5721 -1.4007 -1.4007 -1.1892 -1.1892 -1.1350 -1.1350 -1.0137 -1.0137 -0.8978 -0.8978 -0.7245 -0.7245 -0.5289 -0.5289 -0.5072 -0.5072 5.3693 5.3693 10.4299 10.4299 11.0321 11.0321 11.6355 11.6355 12.2246 12.2246 k = 0.2308-0.1474-0.1023 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.9348 -22.9348 -21.3462 -21.3462 -21.2729 -21.2729 -21.1185 -21.1185 -20.5876 -20.5876 -20.5690 -20.5690 -9.0771 -9.0771 -5.3904 -5.3904 -5.2066 -5.2066 -4.9939 -4.9939 -3.0270 -3.0270 -2.9578 -2.9578 -2.7764 -2.7764 -2.4632 -2.4632 -2.4353 -2.4353 -1.5642 -1.5642 -1.4357 -1.4357 -1.2091 -1.2091 -1.1418 -1.1418 -1.0153 -1.0153 -0.8992 -0.8992 -0.7167 -0.7167 -0.5311 -0.5311 -0.5081 -0.5081 5.3951 5.3951 10.4283 10.4283 11.0628 11.0628 11.6375 11.6375 12.2629 12.2629 k = 0.2436-0.1556-0.1080 ( 11250 PWs) bands (ev): -41.4046 -41.4046 -22.9296 -22.9296 -21.3531 -21.3531 -21.2731 -21.2731 -21.1172 -21.1172 -20.5896 -20.5896 -20.5693 -20.5693 -9.0691 -9.0691 -5.3923 -5.3923 -5.1919 -5.1919 -4.9861 -4.9861 -3.0326 -3.0326 -2.9463 -2.9463 -2.7572 -2.7572 -2.4707 -2.4707 -2.4478 -2.4478 -1.5589 -1.5589 -1.4697 -1.4697 -1.2293 -1.2293 -1.1485 -1.1485 -1.0165 -1.0165 -0.9004 -0.9004 -0.7092 -0.7092 -0.5339 -0.5339 -0.5089 -0.5089 5.4207 5.4207 10.4286 10.4286 11.0939 11.0939 11.6399 11.6399 12.2983 12.2983 k = 0.2564-0.1638-0.1136 ( 11252 PWs) bands (ev): -41.4046 -41.4046 -22.9243 -22.9243 -21.3602 -21.3602 -21.2732 -21.2732 -21.1159 -21.1159 -20.5917 -20.5917 -20.5696 -20.5696 -9.0611 -9.0611 -5.3943 -5.3943 -5.1771 -5.1771 -4.9776 -4.9776 -3.0394 -3.0394 -2.9354 -2.9354 -2.7380 -2.7380 -2.4797 -2.4797 -2.4556 -2.4556 -1.5595 -1.5595 -1.4995 -1.4995 -1.2497 -1.2497 -1.1551 -1.1551 -1.0173 -1.0173 -0.9015 -0.9015 -0.7019 -0.7019 -0.5371 -0.5371 -0.5096 -0.5096 5.4462 5.4462 10.4308 10.4308 11.1252 11.1252 11.6427 11.6427 12.3300 12.3300 k = 0.2692-0.1720-0.1193 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.9189 -22.9189 -21.3673 -21.3673 -21.2733 -21.2733 -21.1146 -21.1146 -20.5937 -20.5937 -20.5699 -20.5699 -9.0530 -9.0530 -5.3965 -5.3965 -5.1623 -5.1623 -4.9685 -4.9685 -3.0476 -3.0476 -2.9253 -2.9253 -2.7187 -2.7187 -2.4920 -2.4920 -2.4569 -2.4569 -1.5743 -1.5743 -1.5168 -1.5168 -1.2701 -1.2701 -1.1613 -1.1613 -1.0175 -1.0175 -0.9024 -0.9024 -0.6949 -0.6949 -0.5408 -0.5408 -0.5103 -0.5103 5.4712 5.4712 10.4347 10.4347 11.1566 11.1566 11.6460 11.6460 12.3571 12.3571 k = 0.2821-0.1801-0.1250 ( 11256 PWs) bands (ev): -41.4046 -41.4046 -22.9136 -22.9136 -21.3744 -21.3744 -21.2734 -21.2734 -21.1132 -21.1132 -20.5958 -20.5958 -20.5702 -20.5702 -9.0450 -9.0450 -5.3988 -5.3988 -5.1476 -5.1476 -4.9589 -4.9589 -3.0571 -3.0571 -2.9160 -2.9160 -2.6995 -2.6995 -2.5061 -2.5061 -2.4530 -2.4530 -1.6034 -1.6034 -1.5215 -1.5215 -1.2904 -1.2904 -1.1671 -1.1671 -1.0173 -1.0173 -0.9031 -0.9031 -0.6881 -0.6881 -0.5449 -0.5449 -0.5109 -0.5109 5.4956 5.4956 10.4403 10.4403 11.1879 11.1879 11.6501 11.6501 12.3789 12.3789 k = 0.2949-0.1883-0.1307 ( 11260 PWs) bands (ev): -41.4046 -41.4046 -22.9083 -22.9083 -21.3814 -21.3814 -21.2735 -21.2735 -21.1119 -21.1119 -20.5978 -20.5978 -20.5705 -20.5705 -9.0371 -9.0371 -5.4013 -5.4013 -5.1331 -5.1331 -4.9486 -4.9486 -3.0681 -3.0681 -2.9073 -2.9073 -2.6802 -2.6802 -2.5205 -2.5205 -2.4452 -2.4452 -1.6379 -1.6379 -1.5224 -1.5224 -1.3103 -1.3103 -1.1723 -1.1723 -1.0166 -1.0166 -0.9037 -0.9037 -0.6818 -0.6818 -0.5494 -0.5494 -0.5114 -0.5114 5.5193 5.5193 10.4475 10.4475 11.2189 11.2189 11.6551 11.6551 12.3948 12.3948 k = 0.3077-0.1965-0.1364 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.9031 -22.9031 -21.3883 -21.3883 -21.2737 -21.2737 -21.1105 -21.1105 -20.5998 -20.5998 -20.5708 -20.5708 -9.0293 -9.0293 -5.4038 -5.4038 -5.1190 -5.1190 -4.9379 -4.9379 -3.0805 -3.0805 -2.8994 -2.8994 -2.6608 -2.6608 -2.5348 -2.5348 -2.4344 -2.4344 -1.6741 -1.6741 -1.5235 -1.5235 -1.3296 -1.3296 -1.1770 -1.1770 -1.0155 -1.0155 -0.9043 -0.9043 -0.6758 -0.6758 -0.5542 -0.5542 -0.5118 -0.5118 5.5422 5.5422 10.4562 10.4562 11.2495 11.2495 11.6609 11.6609 12.4043 12.4043 k = 0.3205-0.2047-0.1421 ( 11254 PWs) bands (ev): -41.4046 -41.4046 -22.8980 -22.8980 -21.3951 -21.3951 -21.2738 -21.2738 -21.1092 -21.1092 -20.6018 -20.6018 -20.5710 -20.5710 -9.0218 -9.0218 -5.4063 -5.4063 -5.1053 -5.1053 -4.9268 -4.9268 -3.0940 -3.0940 -2.8920 -2.8920 -2.6414 -2.6414 -2.5485 -2.5485 -2.4212 -2.4212 -1.7105 -1.7105 -1.5261 -1.5261 -1.3482 -1.3482 -1.1809 -1.1809 -1.0140 -1.0140 -0.9047 -0.9047 -0.6702 -0.6702 -0.5592 -0.5592 -0.5121 -0.5121 5.5641 5.5641 10.4660 10.4660 11.2794 11.2794 11.6679 11.6679 12.4070 12.4070 k = 0.3333-0.2129-0.1477 ( 11249 PWs) bands (ev): -41.4046 -41.4046 -22.8931 -22.8931 -21.4016 -21.4016 -21.2739 -21.2739 -21.1079 -21.1079 -20.6037 -20.6037 -20.5713 -20.5713 -9.0145 -9.0145 -5.4088 -5.4088 -5.0922 -5.0922 -4.9153 -4.9153 -3.1085 -3.1085 -2.8852 -2.8852 -2.6224 -2.6224 -2.5610 -2.5610 -2.4060 -2.4060 -1.7467 -1.7467 -1.5304 -1.5304 -1.3657 -1.3657 -1.1842 -1.1842 -1.0122 -1.0122 -0.9051 -0.9051 -0.6650 -0.6650 -0.5644 -0.5644 -0.5123 -0.5123 5.5849 5.5849 10.4770 10.4770 11.3085 11.3085 11.6760 11.6760 12.4029 12.4029 k = 0.3462-0.2211-0.1534 ( 11259 PWs) bands (ev): -41.4046 -41.4046 -22.8883 -22.8883 -21.4079 -21.4079 -21.2740 -21.2740 -21.1066 -21.1066 -20.6055 -20.6055 -20.5716 -20.5716 -9.0075 -9.0075 -5.4113 -5.4113 -5.0798 -5.0798 -4.9037 -4.9037 -3.1238 -3.1238 -2.8788 -2.8788 -2.6051 -2.6051 -2.5708 -2.5708 -2.3894 -2.3894 -1.7822 -1.7822 -1.5368 -1.5368 -1.3821 -1.3821 -1.1867 -1.1867 -1.0100 -1.0100 -0.9053 -0.9053 -0.6603 -0.6603 -0.5696 -0.5696 -0.5125 -0.5125 5.6045 5.6045 10.4887 10.4887 11.3366 11.3366 11.6855 11.6855 12.3923 12.3923 k = 0.3590-0.2293-0.1591 ( 11259 PWs) bands (ev): -41.4046 -41.4046 -22.8837 -22.8837 -21.4140 -21.4140 -21.2741 -21.2741 -21.1054 -21.1054 -20.6072 -20.6072 -20.5718 -20.5718 -9.0009 -9.0009 -5.4137 -5.4137 -5.0681 -5.0681 -4.8921 -4.8921 -3.1393 -3.1393 -2.8728 -2.8728 -2.5968 -2.5968 -2.5706 -2.5706 -2.3720 -2.3720 -1.8168 -1.8168 -1.5451 -1.5451 -1.3971 -1.3971 -1.1885 -1.1885 -1.0075 -1.0075 -0.9056 -0.9056 -0.6560 -0.6560 -0.5749 -0.5749 -0.5126 -0.5126 5.6228 5.6228 10.5010 10.5010 11.3635 11.3635 11.6965 11.6965 12.3755 12.3755 k = 0.3718-0.2375-0.1648 ( 11263 PWs) bands (ev): -41.4046 -41.4046 -22.8795 -22.8795 -21.4196 -21.4196 -21.2742 -21.2742 -21.1043 -21.1043 -20.6089 -20.6089 -20.5720 -20.5720 -8.9947 -8.9947 -5.4160 -5.4160 -5.0573 -5.0573 -4.8806 -4.8806 -3.1550 -3.1550 -2.8674 -2.8674 -2.6017 -2.6017 -2.5562 -2.5562 -2.3540 -2.3540 -1.8502 -1.8502 -1.5551 -1.5551 -1.4108 -1.4108 -1.1898 -1.1898 -1.0048 -1.0048 -0.9057 -0.9057 -0.6522 -0.6522 -0.5800 -0.5800 -0.5126 -0.5126 5.6398 5.6398 10.5135 10.5135 11.3890 11.3890 11.7090 11.7090 12.3534 12.3534 k = 0.3846-0.2456-0.1705 ( 11261 PWs) bands (ev): -41.4046 -41.4046 -22.8755 -22.8755 -21.4249 -21.4249 -21.2743 -21.2743 -21.1032 -21.1032 -20.6104 -20.6104 -20.5723 -20.5723 -8.9889 -8.9889 -5.4182 -5.4182 -5.0473 -5.0473 -4.8694 -4.8694 -3.1703 -3.1703 -2.8625 -2.8625 -2.6093 -2.6093 -2.5383 -2.5383 -2.3361 -2.3361 -1.8822 -1.8822 -1.5664 -1.5664 -1.4232 -1.4232 -1.1905 -1.1905 -1.0020 -1.0020 -0.9058 -0.9058 -0.6489 -0.6489 -0.5849 -0.5849 -0.5125 -0.5125 5.6554 5.6554 10.5261 10.5261 11.4129 11.4129 11.7234 11.7234 12.3267 12.3267 k = 0.3974-0.2538-0.1762 ( 11264 PWs) bands (ev): -41.4046 -41.4046 -22.8718 -22.8718 -21.4297 -21.4297 -21.2743 -21.2743 -21.1022 -21.1022 -20.6118 -20.6118 -20.5725 -20.5725 -8.9836 -8.9836 -5.4202 -5.4202 -5.0383 -5.0383 -4.8587 -4.8587 -3.1850 -3.1850 -2.8583 -2.8583 -2.6162 -2.6162 -2.5201 -2.5201 -2.3184 -2.3184 -1.9125 -1.9125 -1.5784 -1.5784 -1.4343 -1.4343 -1.1908 -1.1908 -0.9991 -0.9991 -0.9059 -0.9059 -0.6462 -0.6462 -0.5895 -0.5895 -0.5124 -0.5124 5.6694 5.6694 10.5383 10.5383 11.4350 11.4350 11.7395 11.7395 12.2962 12.2962 k = 0.4103-0.2620-0.1818 ( 11260 PWs) bands (ev): -41.4046 -41.4046 -22.8685 -22.8685 -21.4341 -21.4341 -21.2744 -21.2744 -21.1013 -21.1013 -20.6130 -20.6130 -20.5726 -20.5726 -8.9789 -8.9789 -5.4220 -5.4220 -5.0302 -5.0302 -4.8487 -4.8487 -3.1988 -3.1988 -2.8547 -2.8547 -2.6220 -2.6220 -2.5027 -2.5027 -2.3015 -2.3015 -1.9409 -1.9409 -1.5908 -1.5908 -1.4442 -1.4442 -1.1908 -1.1908 -0.9962 -0.9962 -0.9059 -0.9059 -0.6440 -0.6440 -0.5937 -0.5937 -0.5123 -0.5123 5.6819 5.6819 10.5500 10.5500 11.4550 11.4550 11.7575 11.7575 12.2631 12.2631 k = 0.4231-0.2702-0.1875 ( 11265 PWs) bands (ev): -41.4046 -41.4046 -22.8655 -22.8655 -21.4380 -21.4380 -21.2745 -21.2745 -21.1005 -21.1005 -20.6141 -20.6141 -20.5728 -20.5728 -8.9747 -8.9747 -5.4237 -5.4237 -5.0231 -5.0231 -4.8396 -4.8396 -3.2114 -3.2114 -2.8518 -2.8518 -2.6266 -2.6266 -2.4863 -2.4863 -2.2857 -2.2857 -1.9669 -1.9669 -1.6028 -1.6028 -1.4529 -1.4529 -1.1906 -1.1906 -0.9935 -0.9935 -0.9059 -0.9059 -0.6423 -0.6423 -0.5973 -0.5973 -0.5122 -0.5122 5.6929 5.6929 10.5608 10.5608 11.4727 11.4727 11.7774 11.7774 12.2281 12.2281 k = 0.4359-0.2784-0.1932 ( 11261 PWs) bands (ev): -41.4046 -41.4046 -22.8630 -22.8630 -21.4413 -21.4413 -21.2745 -21.2745 -21.0998 -21.0998 -20.6151 -20.6151 -20.5729 -20.5729 -8.9711 -8.9711 -5.4251 -5.4251 -5.0171 -5.0171 -4.8315 -4.8315 -3.2226 -3.2226 -2.8495 -2.8495 -2.6300 -2.6300 -2.4714 -2.4714 -2.2713 -2.2713 -1.9902 -1.9902 -1.6140 -1.6140 -1.4604 -1.4604 -1.1903 -1.1903 -0.9909 -0.9909 -0.9059 -0.9059 -0.6411 -0.6411 -0.6004 -0.6004 -0.5120 -0.5120 5.7022 5.7022 10.5704 10.5704 11.4881 11.4881 11.7989 11.7989 12.1923 12.1923 k = 0.4487-0.2866-0.1989 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8609 -22.8609 -21.4440 -21.4440 -21.2746 -21.2746 -21.0992 -21.0992 -20.6159 -20.6159 -20.5730 -20.5730 -8.9681 -8.9681 -5.4263 -5.4263 -5.0121 -5.0121 -4.8246 -4.8246 -3.2320 -3.2320 -2.8478 -2.8478 -2.6323 -2.6323 -2.4585 -2.4585 -2.2586 -2.2586 -2.0105 -2.0105 -1.6240 -1.6240 -1.4667 -1.4667 -1.1899 -1.1899 -0.9887 -0.9887 -0.9059 -0.9059 -0.6404 -0.6404 -0.6028 -0.6028 -0.5119 -0.5119 5.7098 5.7098 10.5787 10.5787 11.5008 11.5008 11.8216 11.8216 12.1570 12.1570 k = 0.4615-0.2948-0.2046 ( 11267 PWs) bands (ev): -41.4046 -41.4046 -22.8592 -22.8592 -21.4462 -21.4462 -21.2746 -21.2746 -21.0988 -21.0988 -20.6165 -20.6165 -20.5731 -20.5731 -8.9658 -8.9658 -5.4272 -5.4272 -5.0082 -5.0082 -4.8191 -4.8191 -3.2396 -3.2396 -2.8467 -2.8467 -2.6338 -2.6338 -2.4478 -2.4478 -2.2481 -2.2481 -2.0271 -2.0271 -1.6322 -1.6322 -1.4717 -1.4717 -1.1896 -1.1896 -0.9869 -0.9869 -0.9058 -0.9058 -0.6400 -0.6400 -0.6046 -0.6046 -0.5117 -0.5117 5.7158 5.7158 10.5853 10.5853 11.5108 11.5108 11.8447 11.8447 12.1235 12.1235 k = 0.4744-0.3030-0.2102 ( 11273 PWs) bands (ev): -41.4046 -41.4046 -22.8580 -22.8580 -21.4478 -21.4478 -21.2746 -21.2746 -21.0984 -21.0984 -20.6169 -20.6169 -20.5732 -20.5732 -8.9641 -8.9641 -5.4279 -5.4279 -5.0054 -5.0054 -4.8151 -4.8151 -3.2451 -3.2451 -2.8460 -2.8460 -2.6347 -2.6347 -2.4398 -2.4398 -2.2402 -2.2402 -2.0396 -2.0396 -1.6384 -1.6384 -1.4753 -1.4753 -1.1893 -1.1893 -0.9856 -0.9856 -0.9058 -0.9058 -0.6399 -0.6399 -0.6058 -0.6058 -0.5116 -0.5116 5.7201 5.7201 10.5902 10.5902 11.5181 11.5181 11.8662 11.8662 12.0943 12.0943 k = 0.4872-0.3112-0.2159 ( 11272 PWs) bands (ev): -41.4046 -41.4046 -22.8573 -22.8573 -21.4487 -21.4487 -21.2747 -21.2747 -21.0982 -21.0982 -20.6172 -20.6172 -20.5732 -20.5732 -8.9631 -8.9631 -5.4283 -5.4283 -5.0037 -5.0037 -4.8127 -4.8127 -3.2484 -3.2484 -2.8456 -2.8456 -2.6351 -2.6351 -2.4348 -2.4348 -2.2353 -2.2353 -2.0474 -2.0474 -1.6422 -1.6422 -1.4775 -1.4775 -1.1891 -1.1891 -0.9847 -0.9847 -0.9058 -0.9058 -0.6399 -0.6399 -0.6065 -0.6065 -0.5116 -0.5116 5.7226 5.7226 10.5932 10.5932 11.5224 11.5224 11.8827 11.8827 12.0729 12.0729 k = 0.5000-0.3193-0.2216 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.8571 -22.8571 -21.4490 -21.4490 -21.2747 -21.2747 -21.0982 -21.0982 -20.6173 -20.6173 -20.5732 -20.5732 -8.9627 -8.9627 -5.4285 -5.4285 -5.0031 -5.0031 -4.8119 -4.8119 -3.2495 -3.2495 -2.8455 -2.8455 -2.6352 -2.6352 -2.4332 -2.4332 -2.2336 -2.2336 -2.0501 -2.0501 -1.6435 -1.6435 -1.4783 -1.4783 -1.1891 -1.1891 -0.9844 -0.9844 -0.9058 -0.9058 -0.6399 -0.6399 -0.6067 -0.6067 -0.5115 -0.5115 5.7235 5.7235 10.5942 10.5942 11.5239 11.5239 11.8892 11.8892 12.0648 12.0648 k = 0.5000-0.3193-0.2216 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.8571 -22.8571 -21.4490 -21.4490 -21.2747 -21.2747 -21.0982 -21.0982 -20.6173 -20.6173 -20.5732 -20.5732 -8.9627 -8.9627 -5.4285 -5.4285 -5.0031 -5.0031 -4.8119 -4.8119 -3.2495 -3.2495 -2.8455 -2.8455 -2.6352 -2.6352 -2.4332 -2.4332 -2.2336 -2.2336 -2.0501 -2.0501 -1.6435 -1.6435 -1.4783 -1.4783 -1.1891 -1.1891 -0.9844 -0.9844 -0.9058 -0.9058 -0.6399 -0.6399 -0.6067 -0.6067 -0.5115 -0.5115 5.7235 5.7235 10.5942 10.5942 11.5239 11.5239 11.8892 11.8892 12.0648 12.0648 k = 0.5000-0.3101-0.2349 ( 11272 PWs) bands (ev): -41.4046 -41.4046 -22.8570 -22.8570 -21.4489 -21.4489 -21.2749 -21.2749 -21.0982 -21.0982 -20.6172 -20.6172 -20.5733 -20.5733 -8.9625 -8.9625 -5.4280 -5.4280 -5.0033 -5.0033 -4.8121 -4.8121 -3.2490 -3.2490 -2.8455 -2.8455 -2.6357 -2.6357 -2.4331 -2.4331 -2.2373 -2.2373 -2.0460 -2.0460 -1.6432 -1.6432 -1.4781 -1.4781 -1.1897 -1.1897 -0.9847 -0.9847 -0.9065 -0.9065 -0.6397 -0.6397 -0.6065 -0.6065 -0.5117 -0.5117 5.7240 5.7240 10.5945 10.5945 11.5232 11.5232 11.8822 11.8822 12.0737 12.0737 k = 0.5000-0.3009-0.2482 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.8567 -22.8567 -21.4485 -21.4485 -21.2757 -21.2757 -21.0985 -21.0985 -20.6170 -20.6170 -20.5734 -20.5734 -8.9617 -8.9617 -5.4265 -5.4265 -5.0039 -5.0039 -4.8130 -4.8130 -3.2476 -3.2476 -2.8457 -2.8457 -2.6370 -2.6370 -2.4329 -2.4329 -2.2478 -2.2478 -2.0347 -2.0347 -1.6422 -1.6422 -1.4777 -1.4777 -1.1916 -1.1916 -0.9855 -0.9855 -0.9085 -0.9085 -0.6392 -0.6392 -0.6060 -0.6060 -0.5120 -0.5120 5.7254 5.7254 10.5955 10.5955 11.5210 11.5210 11.8642 11.8642 12.0972 12.0972 k = 0.5000-0.2917-0.2615 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.8561 -22.8561 -21.4479 -21.4479 -21.2769 -21.2769 -21.0988 -21.0988 -20.6167 -20.6167 -20.5735 -20.5735 -8.9604 -8.9604 -5.4240 -5.4240 -5.0049 -5.0049 -4.8143 -4.8143 -3.2451 -3.2451 -2.8459 -2.8459 -2.6392 -2.6392 -2.4327 -2.4327 -2.2628 -2.2628 -2.0181 -2.0181 -1.6407 -1.6407 -1.4771 -1.4771 -1.1949 -1.1949 -0.9868 -0.9868 -0.9119 -0.9119 -0.6384 -0.6384 -0.6051 -0.6051 -0.5127 -0.5127 5.7278 5.7278 10.5971 10.5971 11.5175 11.5175 11.8408 11.8408 12.1297 12.1297 k = 0.5000-0.2825-0.2747 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8554 -22.8554 -21.4471 -21.4471 -21.2786 -21.2786 -21.0993 -21.0993 -20.6163 -20.6163 -20.5737 -20.5737 -8.9586 -8.9586 -5.4205 -5.4205 -5.0063 -5.0063 -4.8162 -4.8162 -3.2417 -3.2417 -2.8463 -2.8463 -2.6423 -2.6423 -2.4326 -2.4326 -2.2804 -2.2804 -1.9982 -1.9982 -1.6387 -1.6387 -1.4761 -1.4761 -1.1994 -1.1994 -0.9886 -0.9886 -0.9165 -0.9165 -0.6373 -0.6373 -0.6039 -0.6039 -0.5136 -0.5136 5.7312 5.7312 10.5994 10.5994 11.5125 11.5125 11.8153 11.8153 12.1679 12.1679 k = 0.5000-0.2733-0.2880 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8544 -22.8544 -21.4460 -21.4460 -21.2808 -21.2808 -21.0999 -21.0999 -20.6158 -20.6158 -20.5739 -20.5739 -8.9563 -8.9563 -5.4161 -5.4161 -5.0081 -5.0081 -4.8186 -4.8186 -3.2374 -3.2374 -2.8467 -2.8467 -2.6461 -2.6461 -2.4329 -2.4329 -2.2990 -2.2990 -1.9761 -1.9761 -1.6361 -1.6361 -1.4749 -1.4749 -1.2054 -1.2054 -0.9909 -0.9909 -0.9220 -0.9220 -0.6361 -0.6361 -0.6024 -0.6024 -0.5147 -0.5147 5.7354 5.7354 10.6024 10.6024 11.5063 11.5063 11.7896 11.7896 12.2098 12.2098 k = 0.5000-0.2640-0.3013 ( 11282 PWs) bands (ev): -41.4046 -41.4046 -22.8533 -22.8533 -21.4447 -21.4447 -21.2834 -21.2834 -21.1007 -21.1007 -20.6152 -20.6152 -20.5742 -20.5742 -8.9536 -8.9536 -5.4108 -5.4108 -5.0102 -5.0102 -4.8214 -4.8214 -3.2322 -3.2322 -2.8473 -2.8473 -2.6508 -2.6508 -2.4339 -2.4339 -2.3174 -2.3174 -1.9527 -1.9527 -1.6331 -1.6331 -1.4733 -1.4733 -1.2128 -1.2128 -0.9938 -0.9938 -0.9284 -0.9284 -0.6347 -0.6347 -0.6007 -0.6007 -0.5161 -0.5161 5.7406 5.7406 10.6061 10.6061 11.4987 11.4987 11.7644 11.7644 12.2545 12.2545 k = 0.5000-0.2548-0.3146 ( 11278 PWs) bands (ev): -41.4046 -41.4046 -22.8520 -22.8520 -21.4431 -21.4431 -21.2865 -21.2865 -21.1016 -21.1016 -20.6145 -20.6145 -20.5745 -20.5745 -8.9504 -8.9504 -5.4045 -5.4045 -5.0127 -5.0127 -4.8247 -4.8247 -3.2262 -3.2262 -2.8480 -2.8480 -2.6562 -2.6562 -2.4362 -2.4362 -2.3342 -2.3342 -1.9286 -1.9286 -1.6297 -1.6297 -1.4714 -1.4714 -1.2217 -1.2217 -0.9972 -0.9972 -0.9355 -0.9355 -0.6333 -0.6333 -0.5988 -0.5988 -0.5177 -0.5177 5.7465 5.7465 10.6106 10.6106 11.4900 11.4900 11.7401 11.7401 12.3016 12.3016 k = 0.5000-0.2456-0.3279 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8505 -22.8505 -21.4414 -21.4414 -21.2899 -21.2899 -21.1026 -21.1026 -20.6138 -20.6138 -20.5748 -20.5748 -8.9468 -8.9468 -5.3974 -5.3974 -5.0155 -5.0155 -4.8284 -4.8284 -3.2195 -3.2195 -2.8488 -2.8488 -2.6623 -2.6623 -2.4410 -2.4410 -2.3481 -2.3481 -1.9041 -1.9041 -1.6259 -1.6259 -1.4692 -1.4692 -1.2321 -1.2321 -1.0012 -1.0012 -0.9430 -0.9430 -0.6319 -0.6319 -0.5966 -0.5966 -0.5196 -0.5196 5.7533 5.7533 10.6159 10.6159 11.4802 11.4802 11.7169 11.7169 12.3505 12.3505 k = 0.5000-0.2364-0.3411 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8489 -22.8489 -21.4394 -21.4394 -21.2937 -21.2937 -21.1038 -21.1038 -20.6130 -20.6130 -20.5751 -20.5751 -8.9429 -8.9429 -5.3895 -5.3895 -5.0186 -5.0186 -4.8325 -4.8325 -3.2120 -3.2120 -2.8498 -2.8498 -2.6689 -2.6689 -2.4490 -2.4490 -2.3579 -2.3579 -1.8795 -1.8795 -1.6220 -1.6220 -1.4665 -1.4665 -1.2440 -1.2440 -1.0058 -1.0058 -0.9507 -0.9507 -0.6306 -0.6306 -0.5944 -0.5944 -0.5218 -0.5218 5.7608 5.7608 10.6220 10.6220 11.4695 11.4695 11.6949 11.6949 12.4012 12.4012 k = 0.5000-0.2272-0.3544 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8472 -22.8472 -21.4371 -21.4371 -21.2978 -21.2978 -21.1051 -21.1051 -20.6123 -20.6123 -20.5753 -20.5753 -8.9386 -8.9386 -5.3808 -5.3808 -5.0221 -5.0221 -4.8369 -4.8369 -3.2040 -3.2040 -2.8509 -2.8509 -2.6762 -2.6762 -2.4605 -2.4605 -2.3631 -2.3631 -1.8550 -1.8550 -1.6179 -1.6179 -1.4635 -1.4635 -1.2576 -1.2576 -1.0109 -1.0109 -0.9587 -0.9587 -0.6294 -0.6294 -0.5921 -0.5921 -0.5241 -0.5241 5.7690 5.7690 10.6289 10.6289 11.4581 11.4581 11.6738 11.6738 12.4534 12.4534 k = 0.5000-0.2180-0.3677 ( 11264 PWs) bands (ev): -41.4046 -41.4046 -22.8453 -22.8453 -21.4347 -21.4347 -21.3022 -21.3022 -21.1065 -21.1065 -20.6116 -20.6116 -20.5755 -20.5755 -8.9340 -8.9340 -5.3714 -5.3714 -5.0257 -5.0257 -4.8416 -4.8416 -3.1954 -3.1954 -2.8521 -2.8521 -2.6840 -2.6840 -2.4745 -2.4745 -2.3644 -2.3644 -1.8307 -1.8307 -1.6136 -1.6136 -1.4600 -1.4600 -1.2727 -1.2727 -1.0165 -1.0165 -0.9666 -0.9666 -0.6283 -0.6283 -0.5897 -0.5897 -0.5267 -0.5267 5.7778 5.7778 10.6368 10.6368 11.4461 11.4461 11.6537 11.6537 12.5071 12.5071 k = 0.5000-0.2087-0.3810 ( 11278 PWs) bands (ev): -41.4046 -41.4046 -22.8433 -22.8433 -21.4321 -21.4321 -21.3068 -21.3068 -21.1080 -21.1080 -20.6110 -20.6110 -20.5756 -20.5756 -8.9292 -8.9292 -5.3614 -5.3614 -5.0296 -5.0296 -4.8466 -4.8466 -3.1863 -3.1863 -2.8536 -2.8536 -2.6922 -2.6922 -2.4899 -2.4899 -2.3625 -2.3625 -1.8069 -1.8069 -1.6093 -1.6093 -1.4562 -1.4562 -1.2892 -1.2892 -1.0225 -1.0225 -0.9746 -0.9746 -0.6274 -0.6274 -0.5874 -0.5874 -0.5296 -0.5296 5.7872 5.7872 10.6455 10.6455 11.4337 11.4337 11.6345 11.6345 12.5620 12.5620 k = 0.5000-0.1995-0.3943 ( 11288 PWs) bands (ev): -41.4046 -41.4046 -22.8413 -22.8413 -21.4293 -21.4293 -21.3116 -21.3116 -21.1097 -21.1097 -20.6104 -20.6104 -20.5757 -20.5757 -8.9242 -8.9242 -5.3507 -5.3507 -5.0337 -5.0337 -4.8517 -4.8517 -3.1770 -3.1770 -2.8553 -2.8553 -2.7009 -2.7009 -2.5057 -2.5057 -2.3585 -2.3585 -1.7837 -1.7837 -1.6050 -1.6050 -1.4521 -1.4521 -1.3072 -1.3072 -1.0289 -1.0289 -0.9826 -0.9826 -0.6266 -0.6266 -0.5852 -0.5852 -0.5325 -0.5325 5.7971 5.7971 10.6552 10.6552 11.4212 11.4212 11.6159 11.6159 12.6180 12.6180 k = 0.5000-0.1903-0.4075 ( 11284 PWs) bands (ev): -41.4046 -41.4046 -22.8392 -22.8392 -21.4263 -21.4263 -21.3166 -21.3166 -21.1115 -21.1115 -20.6100 -20.6100 -20.5756 -20.5756 -8.9190 -8.9190 -5.3396 -5.3396 -5.0379 -5.0379 -4.8571 -4.8571 -3.1674 -3.1674 -2.8574 -2.8574 -2.7098 -2.7098 -2.5212 -2.5212 -2.3526 -2.3526 -1.7613 -1.7613 -1.6005 -1.6005 -1.4479 -1.4479 -1.3262 -1.3262 -1.0357 -1.0357 -0.9905 -0.9905 -0.6261 -0.6261 -0.5830 -0.5830 -0.5357 -0.5357 5.8073 5.8073 10.6657 10.6657 11.4086 11.4086 11.5979 11.5979 12.6751 12.6751 k = 0.5000-0.1811-0.4208 ( 11288 PWs) bands (ev): -41.4046 -41.4046 -22.8371 -22.8371 -21.4231 -21.4231 -21.3216 -21.3216 -21.1135 -21.1135 -20.6096 -20.6096 -20.5754 -20.5754 -8.9137 -8.9137 -5.3280 -5.3280 -5.0422 -5.0422 -4.8625 -4.8625 -3.1576 -3.1576 -2.8598 -2.8598 -2.7189 -2.7189 -2.5358 -2.5358 -2.3454 -2.3454 -1.7398 -1.7398 -1.5958 -1.5958 -1.4440 -1.4440 -1.3459 -1.3459 -1.0428 -1.0428 -0.9985 -0.9985 -0.6258 -0.6258 -0.5811 -0.5811 -0.5390 -0.5390 5.8179 5.8179 10.6772 10.6772 11.3962 11.3962 11.5805 11.5805 12.7331 12.7331 k = 0.5000-0.1719-0.4341 ( 11280 PWs) bands (ev): -41.4046 -41.4046 -22.8350 -22.8350 -21.4197 -21.4197 -21.3267 -21.3267 -21.1155 -21.1155 -20.6094 -20.6094 -20.5752 -20.5752 -8.9084 -8.9084 -5.3161 -5.3161 -5.0465 -5.0465 -4.8681 -4.8681 -3.1479 -3.1479 -2.8626 -2.8626 -2.7281 -2.7281 -2.5492 -2.5492 -2.3369 -2.3369 -1.7197 -1.7197 -1.5907 -1.5907 -1.4415 -1.4415 -1.3650 -1.3650 -1.0501 -1.0501 -1.0066 -1.0066 -0.6257 -0.6257 -0.5794 -0.5794 -0.5423 -0.5423 5.8287 5.8287 10.6894 10.6894 11.3841 11.3841 11.5635 11.5635 12.7920 12.7920 k = 0.5000-0.1627-0.4474 ( 11282 PWs) bands (ev): -41.4046 -41.4046 -22.8329 -22.8329 -21.4162 -21.4162 -21.3317 -21.3317 -21.1178 -21.1178 -20.6093 -20.6093 -20.5748 -20.5748 -8.9031 -8.9031 -5.3040 -5.3040 -5.0507 -5.0507 -4.8737 -4.8737 -3.1381 -3.1381 -2.8660 -2.8660 -2.7372 -2.7372 -2.5612 -2.5612 -2.3271 -2.3271 -1.7013 -1.7013 -1.5850 -1.5850 -1.4426 -1.4426 -1.3812 -1.3812 -1.0576 -1.0576 -1.0149 -1.0149 -0.6258 -0.6258 -0.5780 -0.5780 -0.5456 -0.5456 5.8397 5.8397 10.7023 10.7023 11.3724 11.3724 11.5471 11.5471 12.8516 12.8516 k = 0.5000-0.1534-0.4607 ( 11278 PWs) bands (ev): -41.4046 -41.4046 -22.8308 -22.8308 -21.4126 -21.4126 -21.3367 -21.3367 -21.1201 -21.1201 -20.6093 -20.6093 -20.5743 -20.5743 -8.8978 -8.8978 -5.2917 -5.2917 -5.0549 -5.0549 -4.8794 -4.8794 -3.1285 -3.1285 -2.8702 -2.8702 -2.7459 -2.7459 -2.5717 -2.5717 -2.3162 -2.3162 -1.6850 -1.6850 -1.5785 -1.5785 -1.4513 -1.4513 -1.3903 -1.3903 -1.0653 -1.0653 -1.0233 -1.0233 -0.6262 -0.6262 -0.5770 -0.5770 -0.5488 -0.5488 5.8507 5.8507 10.7158 10.7158 11.3612 11.3612 11.5311 11.5311 12.9118 12.9118 k = 0.5000-0.1442-0.4739 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.8288 -22.8288 -21.4088 -21.4088 -21.3415 -21.3415 -21.1226 -21.1226 -20.6094 -20.6094 -20.5737 -20.5737 -8.8926 -8.8926 -5.2794 -5.2794 -5.0589 -5.0589 -4.8850 -4.8850 -3.1191 -3.1191 -2.8751 -2.8751 -2.7540 -2.7540 -2.5806 -2.5806 -2.3042 -2.3042 -1.6712 -1.6712 -1.5710 -1.5710 -1.4680 -1.4680 -1.3915 -1.3915 -1.0731 -1.0731 -1.0320 -1.0320 -0.6267 -0.6267 -0.5765 -0.5765 -0.5519 -0.5519 5.8616 5.8616 10.7298 10.7298 11.3506 11.3506 11.5159 11.5159 12.9726 12.9726 k = 0.5000-0.1350-0.4872 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8269 -22.8269 -21.4049 -21.4049 -21.3461 -21.3461 -21.1252 -21.1252 -20.6096 -20.6096 -20.5730 -20.5730 -8.8875 -8.8875 -5.2673 -5.2673 -5.0626 -5.0626 -4.8906 -4.8906 -3.1099 -3.1099 -2.8809 -2.8809 -2.7613 -2.7613 -2.5880 -2.5880 -2.2911 -2.2911 -1.6603 -1.6603 -1.5635 -1.5635 -1.4883 -1.4883 -1.3880 -1.3880 -1.0810 -1.0810 -1.0410 -1.0410 -0.6275 -0.6275 -0.5766 -0.5766 -0.5547 -0.5547 5.8724 5.8724 10.7439 10.7439 11.3407 11.3407 11.5015 11.5015 13.0338 13.0338 k = 0.5000-0.1258-0.5005 ( 11270 PWs) bands (ev): -41.4046 -41.4046 -22.8252 -22.8252 -21.4009 -21.4009 -21.3506 -21.3506 -21.1280 -21.1280 -20.6099 -20.6099 -20.5723 -20.5723 -8.8827 -8.8827 -5.2553 -5.2553 -5.0659 -5.0659 -4.8962 -4.8962 -3.1011 -3.1011 -2.8877 -2.8877 -2.7676 -2.7676 -2.5939 -2.5939 -2.2768 -2.2768 -1.6521 -1.6521 -1.5600 -1.5600 -1.5055 -1.5055 -1.3824 -1.3824 -1.0891 -1.0891 -1.0503 -1.0503 -0.6285 -0.6285 -0.5773 -0.5773 -0.5571 -0.5571 5.8830 5.8830 10.7579 10.7579 11.3315 11.3315 11.4881 11.4881 13.0952 13.0952 k = 0.5000-0.1166-0.5138 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8236 -22.8236 -21.3969 -21.3969 -21.3547 -21.3547 -21.1309 -21.1309 -20.6102 -20.6102 -20.5716 -20.5716 -8.8781 -8.8781 -5.2438 -5.2438 -5.0688 -5.0688 -4.9017 -4.9017 -3.0926 -3.0926 -2.8952 -2.8952 -2.7728 -2.7728 -2.5984 -2.5984 -2.2614 -2.2614 -1.6466 -1.6466 -1.5694 -1.5694 -1.5097 -1.5097 -1.3759 -1.3759 -1.0973 -1.0973 -1.0598 -1.0598 -0.6297 -0.6297 -0.5787 -0.5787 -0.5591 -0.5591 5.8932 5.8932 10.7714 10.7714 11.3233 11.3233 11.4762 11.4762 13.1565 13.1565 k = 0.5000-0.1074-0.5271 ( 11256 PWs) bands (ev): -41.4046 -41.4046 -22.8221 -22.8221 -21.3928 -21.3928 -21.3584 -21.3584 -21.1340 -21.1340 -20.6105 -20.6105 -20.5708 -20.5708 -8.8738 -8.8738 -5.2329 -5.2329 -5.0711 -5.0711 -4.9071 -4.9071 -3.0845 -3.0845 -2.9034 -2.9034 -2.7767 -2.7767 -2.6017 -2.6017 -2.2449 -2.2449 -1.6435 -1.6435 -1.5909 -1.5909 -1.5012 -1.5012 -1.3691 -1.3691 -1.1057 -1.1057 -1.0696 -1.0696 -0.6311 -0.6311 -0.5806 -0.5806 -0.5607 -0.5607 5.9031 5.9031 10.7840 10.7840 11.3161 11.3161 11.4660 11.4660 13.2174 13.2174 k = 0.5000-0.0982-0.5404 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.8209 -22.8209 -21.3888 -21.3888 -21.3616 -21.3616 -21.1372 -21.1372 -20.6109 -20.6109 -20.5701 -20.5701 -8.8699 -8.8699 -5.2226 -5.2226 -5.0728 -5.0728 -4.9124 -4.9124 -3.0767 -3.0767 -2.9120 -2.9120 -2.7795 -2.7795 -2.6040 -2.6040 -2.2274 -2.2274 -1.6441 -1.6441 -1.6152 -1.6152 -1.4877 -1.4877 -1.3622 -1.3622 -1.1141 -1.1141 -1.0797 -1.0797 -0.6326 -0.6326 -0.5829 -0.5829 -0.5622 -0.5622 5.9123 5.9123 10.7949 10.7949 11.3102 11.3102 11.4578 11.4578 13.2767 13.2767 k = 0.5000-0.0889-0.5536 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8198 -22.8198 -21.3850 -21.3850 -21.3642 -21.3642 -21.1405 -21.1405 -20.6112 -20.6112 -20.5694 -20.5694 -8.8663 -8.8663 -5.2132 -5.2132 -5.0737 -5.0737 -4.9175 -4.9175 -3.0694 -3.0694 -2.9207 -2.9207 -2.7812 -2.7812 -2.6054 -2.6054 -2.2090 -2.2090 -1.6571 -1.6571 -1.6298 -1.6298 -1.4725 -1.4725 -1.3556 -1.3556 -1.1227 -1.1227 -1.0900 -1.0900 -0.6344 -0.6344 -0.5855 -0.5855 -0.5637 -0.5637 5.9210 5.9210 10.8037 10.8037 11.3059 11.3059 11.4521 11.4521 13.3300 13.3300 k = 0.5000-0.0797-0.5669 ( 11264 PWs) bands (ev): -41.4046 -41.4046 -22.8190 -22.8190 -21.3817 -21.3817 -21.3658 -21.3658 -21.1440 -21.1440 -20.6115 -20.6115 -20.5687 -20.5687 -8.8631 -8.8631 -5.2047 -5.2047 -5.0739 -5.0739 -4.9225 -4.9225 -3.0626 -3.0626 -2.9289 -2.9289 -2.7819 -2.7819 -2.6061 -2.6061 -2.1899 -2.1899 -1.6833 -1.6833 -1.6327 -1.6327 -1.4565 -1.4565 -1.3494 -1.3494 -1.1314 -1.1314 -1.1005 -1.1005 -0.6362 -0.6362 -0.5881 -0.5881 -0.5654 -0.5654 5.9290 5.9290 10.8097 10.8097 11.3035 11.3035 11.4491 11.4491 13.3600 13.3600 k = 0.5000-0.0705-0.5802 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8185 -22.8185 -21.3794 -21.3794 -21.3659 -21.3659 -21.1476 -21.1476 -20.6117 -20.6117 -20.5681 -20.5681 -8.8604 -8.8604 -5.1972 -5.1972 -5.0733 -5.0733 -4.9273 -4.9273 -3.0565 -3.0565 -2.9363 -2.9363 -2.7818 -2.7818 -2.6064 -2.6064 -2.1703 -2.1703 -1.7121 -1.7121 -1.6335 -1.6335 -1.4404 -1.4404 -1.3439 -1.3439 -1.1402 -1.1402 -1.1110 -1.1110 -0.6381 -0.6381 -0.5908 -0.5908 -0.5672 -0.5672 5.9362 5.9362 10.8121 10.8121 11.3036 11.3036 11.4492 11.4492 13.3588 13.3588 k = 0.5000-0.0613-0.5935 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8182 -22.8182 -21.3785 -21.3785 -21.3641 -21.3641 -21.1514 -21.1514 -20.6119 -20.6119 -20.5675 -20.5675 -8.8581 -8.8581 -5.1908 -5.1908 -5.0719 -5.0719 -4.9318 -4.9318 -3.0512 -3.0512 -2.9424 -2.9424 -2.7810 -2.7810 -2.6063 -2.6063 -2.1506 -2.1506 -1.7408 -1.7408 -1.6340 -1.6340 -1.4244 -1.4244 -1.3392 -1.3392 -1.1490 -1.1490 -1.1215 -1.1215 -0.6402 -0.6402 -0.5934 -0.5934 -0.5693 -0.5693 5.9425 5.9425 10.8103 10.8103 11.3064 11.3064 11.4526 11.4526 13.3482 13.3482 k = 0.5000-0.0521-0.6068 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.8182 -22.8182 -21.3784 -21.3784 -21.3609 -21.3609 -21.1552 -21.1552 -20.6121 -20.6121 -20.5671 -20.5671 -8.8563 -8.8563 -5.1853 -5.1853 -5.0699 -5.0699 -4.9362 -4.9362 -3.0472 -3.0472 -2.9466 -2.9466 -2.7795 -2.7795 -2.6060 -2.6060 -2.1315 -2.1315 -1.7683 -1.7683 -1.6345 -1.6345 -1.4087 -1.4087 -1.3354 -1.3354 -1.1579 -1.1579 -1.1318 -1.1318 -0.6422 -0.6422 -0.5959 -0.5959 -0.5717 -0.5717 5.9479 5.9479 10.8041 10.8041 11.3120 11.3120 11.4595 11.4595 13.3361 13.3361 k = 0.5000-0.0429-0.6200 ( 11278 PWs) bands (ev): -41.4046 -41.4046 -22.8184 -22.8184 -21.3786 -21.3786 -21.3570 -21.3570 -21.1592 -21.1592 -20.6121 -20.6121 -20.5667 -20.5667 -8.8550 -8.8550 -5.1807 -5.1807 -5.0673 -5.0673 -4.9404 -4.9404 -3.0446 -3.0446 -2.9483 -2.9483 -2.7774 -2.7774 -2.6057 -2.6057 -2.1138 -2.1138 -1.7934 -1.7934 -1.6350 -1.6350 -1.3936 -1.3936 -1.3328 -1.3328 -1.1669 -1.1669 -1.1417 -1.1417 -0.6443 -0.6443 -0.5983 -0.5983 -0.5744 -0.5744 5.9523 5.9523 10.7933 10.7933 11.3205 11.3205 11.4701 11.4701 13.3240 13.3240 k = 0.5000-0.0336-0.6333 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8190 -22.8190 -21.3786 -21.3786 -21.3527 -21.3527 -21.1633 -21.1633 -20.6121 -20.6121 -20.5664 -20.5664 -8.8543 -8.8543 -5.1769 -5.1769 -5.0645 -5.0645 -4.9443 -4.9443 -3.0436 -3.0436 -2.9472 -2.9472 -2.7748 -2.7748 -2.6055 -2.6055 -2.0989 -2.0989 -1.8148 -1.8148 -1.6355 -1.6355 -1.3791 -1.3791 -1.3315 -1.3315 -1.1757 -1.1757 -1.1510 -1.1510 -0.6464 -0.6464 -0.6007 -0.6007 -0.5774 -0.5774 5.9556 5.9556 10.7781 10.7781 11.3317 11.3317 11.4845 11.4845 13.3126 13.3126 k = 0.7592 0.1084-0.2531 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8190 -22.8190 -21.3783 -21.3783 -21.3530 -21.3530 -21.1633 -21.1633 -20.6119 -20.6119 -20.5666 -20.5666 -8.8543 -8.8543 -5.1771 -5.1771 -5.0643 -5.0643 -4.9443 -4.9443 -3.0436 -3.0436 -2.9471 -2.9471 -2.7750 -2.7750 -2.6056 -2.6056 -2.0988 -2.0988 -1.8146 -1.8146 -1.6355 -1.6355 -1.3794 -1.3794 -1.3315 -1.3315 -1.1757 -1.1757 -1.1511 -1.1511 -0.6463 -0.6463 -0.6009 -0.6009 -0.5772 -0.5772 5.9557 5.9557 10.7781 10.7781 11.3317 11.3317 11.4845 11.4845 13.3125 13.3125 k = 0.7514 0.1134-0.2397 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8198 -22.8198 -21.3778 -21.3778 -21.3485 -21.3485 -21.1676 -21.1676 -20.6118 -20.6118 -20.5664 -20.5664 -8.8540 -8.8540 -5.1738 -5.1738 -5.0613 -5.0613 -4.9480 -4.9480 -3.0441 -3.0441 -2.9431 -2.9431 -2.7719 -2.7719 -2.6057 -2.6057 -2.0885 -2.0885 -1.8304 -1.8304 -1.6359 -1.6359 -1.3659 -1.3659 -1.3314 -1.3314 -1.1845 -1.1845 -1.1596 -1.1596 -0.6484 -0.6484 -0.6032 -0.6032 -0.5805 -0.5805 5.9580 5.9580 10.7584 10.7584 11.3453 11.3453 11.5029 11.5029 13.3016 13.3016 k = 0.7435 0.1184-0.2263 ( 11286 PWs) bands (ev): -41.4046 -41.4046 -22.8209 -22.8209 -21.3770 -21.3770 -21.3440 -21.3440 -21.1719 -21.1719 -20.6117 -20.6117 -20.5663 -20.5663 -8.8543 -8.8543 -5.1709 -5.1709 -5.0584 -5.0584 -4.9514 -4.9514 -3.0459 -3.0459 -2.9365 -2.9365 -2.7685 -2.7685 -2.6061 -2.6061 -2.0849 -2.0849 -1.8384 -1.8384 -1.6362 -1.6362 -1.3542 -1.3542 -1.3323 -1.3323 -1.1931 -1.1931 -1.1670 -1.1670 -0.6505 -0.6505 -0.6054 -0.6054 -0.5840 -0.5840 5.9591 5.9591 10.7349 10.7349 11.3609 11.3609 11.5252 11.5252 13.2913 13.2913 k = 0.7356 0.1234-0.2128 ( 11294 PWs) bands (ev): -41.4046 -41.4046 -22.8224 -22.8224 -21.3757 -21.3757 -21.3394 -21.3394 -21.1763 -21.1763 -20.6114 -20.6114 -20.5663 -20.5663 -8.8552 -8.8552 -5.1682 -5.1682 -5.0558 -5.0558 -4.9546 -4.9546 -3.0484 -3.0484 -2.9276 -2.9276 -2.7646 -2.7646 -2.6070 -2.6070 -2.0893 -2.0893 -1.8374 -1.8374 -1.6362 -1.6362 -1.3476 -1.3476 -1.3312 -1.3312 -1.2014 -1.2014 -1.1730 -1.1730 -0.6527 -0.6527 -0.6076 -0.6076 -0.5877 -0.5877 5.9591 5.9591 10.7081 10.7081 11.3783 11.3783 11.5511 11.5511 13.2816 13.2816 k = 0.7278 0.1284-0.1994 ( 11278 PWs) bands (ev): -41.4046 -41.4046 -22.8240 -22.8240 -21.3739 -21.3739 -21.3348 -21.3348 -21.1807 -21.1807 -20.6110 -20.6110 -20.5664 -20.5664 -8.8565 -8.8565 -5.1657 -5.1657 -5.0534 -5.0534 -4.9576 -4.9576 -3.0512 -3.0512 -2.9168 -2.9168 -2.7605 -2.7605 -2.6085 -2.6085 -2.1010 -2.1010 -1.8281 -1.8281 -1.6359 -1.6359 -1.3497 -1.3497 -1.3248 -1.3248 -1.2094 -1.2094 -1.1773 -1.1773 -0.6548 -0.6548 -0.6099 -0.6099 -0.5913 -0.5913 5.9580 5.9580 10.6785 10.6785 11.3971 11.3971 11.5803 11.5803 13.2722 13.2722 k = 0.7199 0.1335-0.1860 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8260 -22.8260 -21.3716 -21.3716 -21.3302 -21.3302 -21.1852 -21.1852 -20.6106 -20.6106 -20.5666 -20.5666 -8.8583 -8.8583 -5.1632 -5.1632 -5.0515 -5.0515 -4.9604 -4.9604 -3.0539 -3.0539 -2.9045 -2.9045 -2.7561 -2.7561 -2.6105 -2.6105 -2.1182 -2.1182 -1.8124 -1.8124 -1.6352 -1.6352 -1.3566 -1.3566 -1.3171 -1.3171 -1.2170 -1.2170 -1.1795 -1.1795 -0.6572 -0.6572 -0.6124 -0.6124 -0.5948 -0.5948 5.9556 5.9556 10.6466 10.6466 11.4173 11.4173 11.6124 11.6124 13.2628 13.2628 k = 0.7121 0.1385-0.1725 ( 11286 PWs) bands (ev): -41.4046 -41.4046 -22.8282 -22.8282 -21.3688 -21.3688 -21.3257 -21.3257 -21.1898 -21.1898 -20.6101 -20.6101 -20.5670 -20.5670 -8.8607 -8.8607 -5.1606 -5.1606 -5.0500 -5.0500 -4.9632 -4.9632 -3.0563 -3.0563 -2.8910 -2.8910 -2.7515 -2.7515 -2.6132 -2.6132 -2.1388 -2.1388 -1.7926 -1.7926 -1.6337 -1.6337 -1.3659 -1.3659 -1.3105 -1.3105 -1.2241 -1.2241 -1.1796 -1.1796 -0.6597 -0.6597 -0.6150 -0.6150 -0.5980 -0.5980 5.9521 5.9521 10.6128 10.6128 11.4388 11.4388 11.6471 11.6471 13.2530 13.2530 k = 0.7042 0.1435-0.1591 ( 11284 PWs) bands (ev): -41.4046 -41.4046 -22.8307 -22.8307 -21.3656 -21.3656 -21.3212 -21.3212 -21.1943 -21.1943 -20.6095 -20.6095 -20.5674 -20.5674 -8.8635 -8.8635 -5.1580 -5.1580 -5.0490 -5.0490 -4.9658 -4.9658 -3.0582 -3.0582 -2.8768 -2.8768 -2.7467 -2.7467 -2.6167 -2.6167 -2.1612 -2.1612 -1.7708 -1.7708 -1.6313 -1.6313 -1.3767 -1.3767 -1.3058 -1.3058 -1.2308 -1.2308 -1.1776 -1.1776 -0.6626 -0.6626 -0.6179 -0.6179 -0.6008 -0.6008 5.9475 5.9475 10.5774 10.5774 11.4616 11.4616 11.6840 11.6840 13.2426 13.2426 k = 0.6964 0.1485-0.1457 ( 11284 PWs) bands (ev): -41.4046 -41.4046 -22.8333 -22.8333 -21.3620 -21.3620 -21.3168 -21.3168 -21.1988 -21.1988 -20.6088 -20.6088 -20.5680 -20.5680 -8.8667 -8.8667 -5.1553 -5.1553 -5.0483 -5.0483 -4.9685 -4.9685 -3.0595 -3.0595 -2.8620 -2.8620 -2.7415 -2.7415 -2.6207 -2.6207 -2.1842 -2.1842 -1.7489 -1.7489 -1.6273 -1.6273 -1.3885 -1.3885 -1.3030 -1.3030 -1.2370 -1.2370 -1.1735 -1.1735 -0.6660 -0.6660 -0.6208 -0.6208 -0.6031 -0.6031 5.9417 5.9417 10.5409 10.5409 11.4856 11.4856 11.7226 11.7226 13.2309 13.2309 k = 0.6885 0.1535-0.1322 ( 11280 PWs) bands (ev): -41.4046 -41.4046 -22.8362 -22.8362 -21.3580 -21.3580 -21.3125 -21.3125 -21.2034 -21.2034 -20.6081 -20.6081 -20.5686 -20.5686 -8.8703 -8.8703 -5.1524 -5.1524 -5.0479 -5.0479 -4.9711 -4.9711 -3.0602 -3.0602 -2.8473 -2.8473 -2.7361 -2.7361 -2.6254 -2.6254 -2.2068 -2.2068 -1.7287 -1.7287 -1.6210 -1.6210 -1.4008 -1.4008 -1.3021 -1.3021 -1.2427 -1.2427 -1.1677 -1.1677 -0.6701 -0.6701 -0.6237 -0.6237 -0.6050 -0.6050 5.9350 5.9350 10.5036 10.5036 11.5110 11.5110 11.7626 11.7626 13.2176 13.2176 k = 0.6807 0.1585-0.1188 ( 11284 PWs) bands (ev): -41.4046 -41.4046 -22.8392 -22.8392 -21.3536 -21.3536 -21.3083 -21.3083 -21.2079 -21.2079 -20.6073 -20.6073 -20.5694 -20.5694 -8.8743 -8.8743 -5.1494 -5.1494 -5.0478 -5.0478 -4.9739 -4.9739 -3.0602 -3.0602 -2.8332 -2.8332 -2.7302 -2.7302 -2.6303 -2.6303 -2.2284 -2.2284 -1.7122 -1.7122 -1.6115 -1.6115 -1.4130 -1.4130 -1.3026 -1.3026 -1.2478 -1.2478 -1.1604 -1.1604 -0.6750 -0.6750 -0.6262 -0.6262 -0.6065 -0.6065 5.9272 5.9272 10.4657 10.4657 11.5375 11.5375 11.8037 11.8037 13.2021 13.2021 k = 0.6728 0.1636-0.1054 ( 11282 PWs) bands (ev): -41.4046 -41.4046 -22.8424 -22.8424 -21.3489 -21.3489 -21.3042 -21.3042 -21.2123 -21.2123 -20.6064 -20.6064 -20.5702 -20.5702 -8.8786 -8.8786 -5.1463 -5.1463 -5.0479 -5.0479 -4.9767 -4.9767 -3.0595 -3.0595 -2.8205 -2.8205 -2.7237 -2.7237 -2.6351 -2.6351 -2.2486 -2.2486 -1.7005 -1.7005 -1.5989 -1.5989 -1.4242 -1.4242 -1.3043 -1.3043 -1.2524 -1.2524 -1.1522 -1.1522 -0.6807 -0.6807 -0.6284 -0.6284 -0.6078 -0.6078 5.9186 5.9186 10.4276 10.4276 11.5653 11.5653 11.8454 11.8454 13.1840 13.1840 k = 0.6650 0.1686-0.0919 ( 11286 PWs) bands (ev): -41.4046 -41.4046 -22.8457 -22.8457 -21.3439 -21.3439 -21.3002 -21.3002 -21.2167 -21.2167 -20.6056 -20.6056 -20.5712 -20.5712 -8.8832 -8.8832 -5.1432 -5.1432 -5.0480 -5.0480 -4.9797 -4.9797 -3.0581 -3.0581 -2.8102 -2.8102 -2.7167 -2.7167 -2.6389 -2.6389 -2.2670 -2.2670 -1.6937 -1.6937 -1.5846 -1.5846 -1.4333 -1.4333 -1.3067 -1.3067 -1.2563 -1.2563 -1.1433 -1.1433 -0.6872 -0.6872 -0.6301 -0.6301 -0.6088 -0.6088 5.9091 5.9091 10.3895 10.3895 11.5941 11.5941 11.8876 11.8876 13.1630 13.1630 k = 0.6571 0.1736-0.0785 ( 11282 PWs) bands (ev): -41.4046 -41.4046 -22.8491 -22.8491 -21.3387 -21.3387 -21.2963 -21.2963 -21.2210 -21.2210 -20.6046 -20.6046 -20.5722 -20.5722 -8.8880 -8.8880 -5.1400 -5.1400 -5.0482 -5.0482 -4.9827 -4.9827 -3.0561 -3.0561 -2.8033 -2.8033 -2.7095 -2.7095 -2.6405 -2.6405 -2.2835 -2.2835 -1.6910 -1.6910 -1.5711 -1.5711 -1.4390 -1.4390 -1.3094 -1.3094 -1.2593 -1.2593 -1.1339 -1.1339 -0.6944 -0.6944 -0.6314 -0.6314 -0.6096 -0.6096 5.8990 5.8990 10.3516 10.3516 11.6241 11.6241 11.9300 11.9300 13.1391 13.1391 k = 0.6492 0.1786-0.0651 ( 11278 PWs) bands (ev): -41.4046 -41.4046 -22.8525 -22.8525 -21.3333 -21.3333 -21.2926 -21.2926 -21.2251 -21.2251 -20.6037 -20.6037 -20.5733 -20.5733 -8.8930 -8.8930 -5.1369 -5.1369 -5.0483 -5.0483 -4.9859 -4.9859 -3.0535 -3.0535 -2.8005 -2.8005 -2.7033 -2.7033 -2.6380 -2.6380 -2.2979 -2.2979 -1.6916 -1.6916 -1.5614 -1.5614 -1.4397 -1.4397 -1.3124 -1.3124 -1.2609 -1.2609 -1.1243 -1.1243 -0.7023 -0.7023 -0.6323 -0.6323 -0.6102 -0.6102 5.8882 5.8882 10.3142 10.3142 11.6551 11.6551 11.9722 11.9722 13.1122 13.1122 k = 0.6414 0.1836-0.0517 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8560 -22.8560 -21.3278 -21.3278 -21.2890 -21.2890 -21.2292 -21.2292 -20.6027 -20.6027 -20.5744 -20.5744 -8.8981 -8.8981 -5.1339 -5.1339 -5.0484 -5.0484 -4.9891 -4.9891 -3.0503 -3.0503 -2.8019 -2.8019 -2.6993 -2.6993 -2.6300 -2.6300 -2.3103 -2.3103 -1.6948 -1.6948 -1.5570 -1.5570 -1.4351 -1.4351 -1.3156 -1.3156 -1.2605 -1.2605 -1.1147 -1.1147 -0.7107 -0.7107 -0.6330 -0.6330 -0.6108 -0.6108 5.8768 5.8768 10.2774 10.2774 11.6870 11.6870 12.0141 12.0141 13.0827 13.0827 k = 0.6335 0.1886-0.0382 ( 11288 PWs) bands (ev): -41.4046 -41.4046 -22.8595 -22.8595 -21.3223 -21.3223 -21.2855 -21.2855 -21.2331 -21.2331 -20.6018 -20.6018 -20.5756 -20.5756 -8.9033 -8.9033 -5.1309 -5.1309 -5.0483 -5.0483 -4.9924 -4.9924 -3.0466 -3.0466 -2.8073 -2.8073 -2.6975 -2.6975 -2.6169 -2.6169 -2.3206 -2.3206 -1.7005 -1.7005 -1.5573 -1.5573 -1.4268 -1.4268 -1.3189 -1.3189 -1.2574 -1.2574 -1.1052 -1.1052 -0.7195 -0.7195 -0.6335 -0.6335 -0.6112 -0.6112 5.8651 5.8651 10.2414 10.2414 11.7198 11.7198 12.0553 12.0553 13.0509 13.0509 k = 0.6257 0.1937-0.0248 ( 11278 PWs) bands (ev): -41.4046 -41.4046 -22.8629 -22.8629 -21.3167 -21.3167 -21.2822 -21.2822 -21.2368 -21.2368 -20.6008 -20.6008 -20.5769 -20.5769 -8.9086 -8.9086 -5.1282 -5.1282 -5.0479 -5.0479 -4.9957 -4.9957 -3.0425 -3.0425 -2.8161 -2.8161 -2.6970 -2.6970 -2.6000 -2.6000 -2.3291 -2.3291 -1.7083 -1.7083 -1.5605 -1.5605 -1.4173 -1.4173 -1.3226 -1.3226 -1.2506 -1.2506 -1.0958 -1.0958 -0.7286 -0.7286 -0.6338 -0.6338 -0.6116 -0.6116 5.8532 5.8532 10.2065 10.2065 11.7533 11.7533 12.0956 12.0956 13.0173 13.0173 k = 0.6178 0.1987-0.0114 ( 11270 PWs) bands (ev): -41.4046 -41.4046 -22.8664 -22.8664 -21.3112 -21.3112 -21.2790 -21.2790 -21.2404 -21.2404 -20.5998 -20.5998 -20.5781 -20.5781 -8.9138 -8.9138 -5.1258 -5.1258 -5.0474 -5.0474 -4.9989 -4.9989 -3.0380 -3.0380 -2.8274 -2.8274 -2.6970 -2.6970 -2.5807 -2.5807 -2.3358 -2.3358 -1.7182 -1.7182 -1.5650 -1.5650 -1.4087 -1.4087 -1.3268 -1.3268 -1.2399 -1.2399 -1.0867 -1.0867 -0.7380 -0.7380 -0.6341 -0.6341 -0.6119 -0.6119 5.8411 5.8411 10.1728 10.1728 11.7875 11.7875 12.1347 12.1347 12.9823 12.9823 k = 0.6100 0.2037 0.0021 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8697 -22.8697 -21.3058 -21.3058 -21.2760 -21.2760 -21.2437 -21.2437 -20.5989 -20.5989 -20.5794 -20.5794 -8.9190 -8.9190 -5.1237 -5.1237 -5.0466 -5.0466 -5.0020 -5.0020 -3.0333 -3.0333 -2.8405 -2.8405 -2.6972 -2.6972 -2.5600 -2.5600 -2.3410 -2.3410 -1.7298 -1.7298 -1.5699 -1.5699 -1.4018 -1.4018 -1.3314 -1.3314 -1.2255 -1.2255 -1.0779 -1.0779 -0.7476 -0.7476 -0.6344 -0.6344 -0.6121 -0.6121 5.8290 5.8290 10.1405 10.1405 11.8222 11.8222 12.1724 12.1724 12.9462 12.9462 k = 0.6021 0.2087 0.0155 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8729 -22.8729 -21.3006 -21.3006 -21.2732 -21.2732 -21.2468 -21.2468 -20.5980 -20.5980 -20.5807 -20.5807 -8.9241 -8.9241 -5.1218 -5.1218 -5.0457 -5.0457 -5.0050 -5.0050 -3.0283 -3.0283 -2.8546 -2.8546 -2.6975 -2.6975 -2.5386 -2.5386 -2.3447 -2.3447 -1.7429 -1.7429 -1.5747 -1.5747 -1.3968 -1.3968 -1.3363 -1.3363 -1.2082 -1.2082 -1.0694 -1.0694 -0.7573 -0.7573 -0.6346 -0.6346 -0.6124 -0.6124 5.8170 5.8170 10.1097 10.1097 11.8575 11.8575 12.2084 12.2084 12.9095 12.9095 k = 0.5943 0.2137 0.0289 ( 11284 PWs) bands (ev): -41.4046 -41.4046 -22.8760 -22.8760 -21.2957 -21.2957 -21.2705 -21.2705 -21.2496 -21.2496 -20.5971 -20.5971 -20.5820 -20.5820 -8.9290 -8.9290 -5.1204 -5.1204 -5.0445 -5.0445 -5.0078 -5.0078 -3.0233 -3.0233 -2.8693 -2.8693 -2.6979 -2.6979 -2.5169 -2.5169 -2.3474 -2.3474 -1.7571 -1.7571 -1.5791 -1.5791 -1.3933 -1.3933 -1.3415 -1.3415 -1.1889 -1.1889 -1.0613 -1.0613 -0.7670 -0.7670 -0.6348 -0.6348 -0.6125 -0.6125 5.8052 5.8052 10.0806 10.0806 11.8931 11.8931 12.2424 12.2424 12.8725 12.8725 k = 0.5864 0.2188 0.0424 ( 11304 PWs) bands (ev): -41.4046 -41.4046 -22.8789 -22.8789 -21.2911 -21.2911 -21.2680 -21.2680 -21.2521 -21.2521 -20.5962 -20.5962 -20.5832 -20.5832 -8.9337 -8.9337 -5.1192 -5.1192 -5.0432 -5.0432 -5.0104 -5.0104 -3.0182 -3.0182 -2.8840 -2.8840 -2.6983 -2.6983 -2.4952 -2.4952 -2.3490 -2.3490 -1.7720 -1.7720 -1.5833 -1.5833 -1.3908 -1.3908 -1.3467 -1.3467 -1.1685 -1.1685 -1.0537 -1.0537 -0.7768 -0.7768 -0.6351 -0.6351 -0.6127 -0.6127 5.7939 5.7939 10.0533 10.0533 11.9291 11.9291 12.2741 12.2741 12.8355 12.8355 k = 0.5785 0.2238 0.0558 ( 11302 PWs) bands (ev): -41.4046 -41.4046 -22.8817 -22.8817 -21.2870 -21.2870 -21.2657 -21.2657 -21.2542 -21.2542 -20.5954 -20.5954 -20.5844 -20.5844 -8.9381 -8.9381 -5.1184 -5.1184 -5.0418 -5.0418 -5.0126 -5.0126 -3.0133 -3.0133 -2.8983 -2.8983 -2.6989 -2.6989 -2.4740 -2.4740 -2.3499 -2.3499 -1.7873 -1.7873 -1.5872 -1.5872 -1.3890 -1.3890 -1.3518 -1.3518 -1.1478 -1.1478 -1.0464 -1.0464 -0.7864 -0.7864 -0.6354 -0.6354 -0.6129 -0.6129 5.7830 5.7830 10.0280 10.0280 11.9652 11.9652 12.3032 12.3032 12.7989 12.7989 k = 0.5707 0.2288 0.0692 ( 11302 PWs) bands (ev): -41.4046 -41.4046 -22.8843 -22.8843 -21.2834 -21.2834 -21.2636 -21.2636 -21.2557 -21.2557 -20.5947 -20.5947 -20.5856 -20.5856 -8.9423 -8.9423 -5.1179 -5.1179 -5.0405 -5.0405 -5.0145 -5.0145 -3.0086 -3.0086 -2.9119 -2.9119 -2.6995 -2.6995 -2.4534 -2.4534 -2.3501 -2.3501 -1.8026 -1.8026 -1.5909 -1.5909 -1.3876 -1.3876 -1.3567 -1.3567 -1.1274 -1.1274 -1.0397 -1.0397 -0.7959 -0.7959 -0.6358 -0.6358 -0.6131 -0.6131 5.7728 5.7728 10.0047 10.0047 12.0016 12.0016 12.3291 12.3291 12.7631 12.7631 k = 0.5628 0.2338 0.0827 ( 11310 PWs) bands (ev): -41.4046 -41.4046 -22.8866 -22.8866 -21.2806 -21.2806 -21.2619 -21.2619 -21.2565 -21.2565 -20.5940 -20.5940 -20.5866 -20.5866 -8.9461 -8.9461 -5.1176 -5.1176 -5.0392 -5.0392 -5.0160 -5.0160 -3.0043 -3.0043 -2.9245 -2.9245 -2.7001 -2.7001 -2.4338 -2.4338 -2.3498 -2.3498 -1.8175 -1.8175 -1.5943 -1.5943 -1.3865 -1.3865 -1.3613 -1.3613 -1.1077 -1.1077 -1.0334 -1.0334 -0.8052 -0.8052 -0.6361 -0.6361 -0.6133 -0.6133 5.7633 5.7633 9.9835 9.9835 12.0380 12.0380 12.3515 12.3515 12.7285 12.7285 k = 0.5550 0.2388 0.0961 ( 11314 PWs) bands (ev): -41.4046 -41.4046 -22.8887 -22.8887 -21.2786 -21.2786 -21.2607 -21.2607 -21.2564 -21.2564 -20.5934 -20.5934 -20.5876 -20.5876 -8.9496 -8.9496 -5.1174 -5.1174 -5.0382 -5.0382 -5.0171 -5.0171 -3.0005 -3.0005 -2.9357 -2.9357 -2.7008 -2.7008 -2.4154 -2.4154 -2.3492 -2.3492 -1.8319 -1.8319 -1.5974 -1.5974 -1.3855 -1.3855 -1.3656 -1.3656 -1.0893 -1.0893 -1.0275 -1.0275 -0.8142 -0.8142 -0.6365 -0.6365 -0.6134 -0.6134 5.7546 5.7546 9.9647 9.9647 12.0743 12.0743 12.3696 12.3696 12.6958 12.6958 k = 0.5471 0.2438 0.1095 ( 11318 PWs) bands (ev): -41.4046 -41.4046 -22.8906 -22.8906 -21.2773 -21.2773 -21.2599 -21.2599 -21.2553 -21.2553 -20.5929 -20.5929 -20.5885 -20.5885 -8.9526 -8.9526 -5.1175 -5.1175 -5.0375 -5.0375 -5.0178 -5.0178 -2.9974 -2.9974 -2.9454 -2.9454 -2.7014 -2.7014 -2.3986 -2.3986 -2.3484 -2.3484 -1.8453 -1.8453 -1.6003 -1.6003 -1.3847 -1.3847 -1.3693 -1.3693 -1.0726 -1.0726 -1.0220 -1.0220 -0.8228 -0.8228 -0.6369 -0.6369 -0.6136 -0.6136 5.7469 5.7469 9.9481 9.9481 12.1105 12.1105 12.3826 12.3826 12.6657 12.6657 k = 0.5393 0.2489 0.1229 ( 11318 PWs) bands (ev): -41.4046 -41.4046 -22.8922 -22.8922 -21.2767 -21.2767 -21.2593 -21.2593 -21.2539 -21.2539 -20.5924 -20.5924 -20.5893 -20.5893 -8.9553 -8.9553 -5.1176 -5.1176 -5.0370 -5.0370 -5.0180 -5.0180 -2.9952 -2.9952 -2.9533 -2.9533 -2.7021 -2.7021 -2.3837 -2.3837 -2.3473 -2.3473 -1.8574 -1.8574 -1.6029 -1.6029 -1.3841 -1.3841 -1.3725 -1.3725 -1.0579 -1.0579 -1.0167 -1.0167 -0.8308 -0.8308 -0.6373 -0.6373 -0.6138 -0.6138 5.7402 5.7402 9.9340 9.9340 12.1464 12.1464 12.3895 12.3895 12.6394 12.6394 k = 0.5314 0.2539 0.1364 ( 11304 PWs) bands (ev): -41.4046 -41.4046 -22.8935 -22.8935 -21.2765 -21.2765 -21.2587 -21.2587 -21.2525 -21.2525 -20.5920 -20.5920 -20.5899 -20.5899 -8.9575 -8.9575 -5.1177 -5.1177 -5.0368 -5.0368 -5.0181 -5.0181 -2.9941 -2.9941 -2.9591 -2.9591 -2.7026 -2.7026 -2.3711 -2.3711 -2.3462 -2.3462 -1.8679 -1.8679 -1.6052 -1.6052 -1.3837 -1.3837 -1.3750 -1.3750 -1.0458 -1.0458 -1.0116 -1.0116 -0.8381 -0.8381 -0.6376 -0.6376 -0.6139 -0.6139 5.7347 5.7347 9.9224 9.9224 12.1818 12.1818 12.3891 12.3891 12.6180 12.6180 k = 0.5236 0.2589 0.1498 ( 11304 PWs) bands (ev): -41.4046 -41.4046 -22.8945 -22.8945 -21.2766 -21.2766 -21.2582 -21.2582 -21.2513 -21.2513 -20.5917 -20.5917 -20.5904 -20.5904 -8.9592 -8.9592 -5.1178 -5.1178 -5.0367 -5.0367 -5.0179 -5.0179 -2.9940 -2.9940 -2.9629 -2.9629 -2.7030 -2.7030 -2.3613 -2.3613 -2.3448 -2.3448 -1.8765 -1.8765 -1.6070 -1.6070 -1.3836 -1.3836 -1.3767 -1.3767 -1.0367 -1.0367 -1.0066 -1.0066 -0.8444 -0.8444 -0.6379 -0.6379 -0.6141 -0.6141 5.7303 5.7303 9.9133 9.9133 12.2165 12.2165 12.3808 12.3808 12.6023 12.6023 k = 0.5157 0.2639 0.1632 ( 11302 PWs) bands (ev): -41.4046 -41.4046 -22.8953 -22.8953 -21.2767 -21.2767 -21.2577 -21.2577 -21.2504 -21.2504 -20.5916 -20.5916 -20.5907 -20.5907 -8.9604 -8.9604 -5.1180 -5.1180 -5.0366 -5.0366 -5.0177 -5.0177 -2.9945 -2.9945 -2.9650 -2.9650 -2.7034 -2.7034 -2.3548 -2.3548 -2.3430 -2.3430 -1.8829 -1.8829 -1.6083 -1.6083 -1.3838 -1.3838 -1.3776 -1.3776 -1.0306 -1.0306 -1.0022 -1.0022 -0.8492 -0.8492 -0.6381 -0.6381 -0.6142 -0.6142 5.7271 5.7271 9.9068 9.9068 12.2500 12.2500 12.3651 12.3651 12.5921 12.5921 k = 0.5079 0.2689 0.1767 ( 11302 PWs) bands (ev): -41.4046 -41.4046 -22.8957 -22.8957 -21.2768 -21.2768 -21.2575 -21.2575 -21.2498 -21.2498 -20.5915 -20.5915 -20.5909 -20.5909 -8.9612 -8.9612 -5.1181 -5.1181 -5.0367 -5.0367 -5.0176 -5.0176 -2.9951 -2.9951 -2.9660 -2.9660 -2.7036 -2.7036 -2.3516 -2.3516 -2.3411 -2.3411 -1.8868 -1.8868 -1.6091 -1.6091 -1.3841 -1.3841 -1.3781 -1.3781 -1.0272 -1.0272 -0.9990 -0.9990 -0.8524 -0.8524 -0.6383 -0.6383 -0.6142 -0.6142 5.7252 5.7252 9.9028 9.9028 12.2812 12.2812 12.3440 12.3440 12.5867 12.5867 k = 0.5000 0.2739 0.1901 ( 11318 PWs) bands (ev): -41.4046 -41.4046 -22.8959 -22.8959 -21.2768 -21.2768 -21.2574 -21.2574 -21.2496 -21.2496 -20.5915 -20.5915 -20.5910 -20.5910 -8.9614 -8.9614 -5.1181 -5.1181 -5.0367 -5.0367 -5.0175 -5.0175 -2.9954 -2.9954 -2.9663 -2.9663 -2.7037 -2.7037 -2.3507 -2.3507 -2.3402 -2.3402 -1.8882 -1.8882 -1.6094 -1.6094 -1.3842 -1.3842 -1.3782 -1.3782 -1.0262 -1.0262 -0.9978 -0.9978 -0.8535 -0.8535 -0.6383 -0.6383 -0.6142 -0.6142 5.7245 5.7245 9.9015 9.9015 12.3014 12.3014 12.3270 12.3270 12.5850 12.5850 k = 0.5000 0.2739 0.1901 ( 11318 PWs) bands (ev): -41.4046 -41.4046 -22.8959 -22.8959 -21.2768 -21.2768 -21.2574 -21.2574 -21.2496 -21.2496 -20.5915 -20.5915 -20.5910 -20.5910 -8.9614 -8.9614 -5.1181 -5.1181 -5.0367 -5.0367 -5.0175 -5.0175 -2.9954 -2.9954 -2.9663 -2.9663 -2.7037 -2.7037 -2.3507 -2.3507 -2.3402 -2.3402 -1.8882 -1.8882 -1.6094 -1.6094 -1.3842 -1.3842 -1.3782 -1.3782 -1.0262 -1.0262 -0.9978 -0.9978 -0.8535 -0.8535 -0.6383 -0.6383 -0.6142 -0.6142 5.7245 5.7245 9.9015 9.9015 12.3014 12.3014 12.3270 12.3270 12.5850 12.5850 k = 0.4865 0.2665 0.1850 ( 11312 PWs) bands (ev): -41.4046 -41.4046 -22.8961 -22.8961 -21.2767 -21.2767 -21.2573 -21.2573 -21.2496 -21.2496 -20.5914 -20.5914 -20.5909 -20.5909 -8.9618 -8.9618 -5.1184 -5.1184 -5.0370 -5.0370 -5.0183 -5.0183 -2.9947 -2.9947 -2.9655 -2.9655 -2.7052 -2.7052 -2.3515 -2.3515 -2.3410 -2.3410 -1.8858 -1.8858 -1.6093 -1.6093 -1.3833 -1.3833 -1.3773 -1.3773 -1.0261 -1.0261 -0.9978 -0.9978 -0.8534 -0.8534 -0.6380 -0.6380 -0.6140 -0.6140 5.7234 5.7234 9.9021 9.9021 12.2955 12.2955 12.3277 12.3277 12.5832 12.5832 k = 0.4730 0.2591 0.1798 ( 11312 PWs) bands (ev): -41.4046 -41.4046 -22.8966 -22.8966 -21.2761 -21.2761 -21.2571 -21.2571 -21.2497 -21.2497 -20.5913 -20.5913 -20.5908 -20.5908 -8.9629 -8.9629 -5.1193 -5.1193 -5.0381 -5.0381 -5.0204 -5.0204 -2.9926 -2.9926 -2.9633 -2.9633 -2.7098 -2.7098 -2.3539 -2.3539 -2.3433 -2.3433 -1.8788 -1.8788 -1.6092 -1.6092 -1.3807 -1.3807 -1.3748 -1.3748 -1.0261 -1.0261 -0.9978 -0.9978 -0.8533 -0.8533 -0.6373 -0.6373 -0.6132 -0.6132 5.7202 5.7202 9.9039 9.9039 12.2804 12.2804 12.3274 12.3274 12.5776 12.5776 k = 0.4595 0.2517 0.1747 ( 11300 PWs) bands (ev): -41.4046 -41.4046 -22.8975 -22.8975 -21.2753 -21.2753 -21.2568 -21.2568 -21.2499 -21.2499 -20.5910 -20.5910 -20.5905 -20.5905 -8.9648 -8.9648 -5.1208 -5.1208 -5.0399 -5.0399 -5.0240 -5.0240 -2.9891 -2.9891 -2.9597 -2.9597 -2.7172 -2.7172 -2.3578 -2.3578 -2.3471 -2.3471 -1.8673 -1.8673 -1.6090 -1.6090 -1.3764 -1.3764 -1.3706 -1.3706 -1.0259 -1.0259 -0.9977 -0.9977 -0.8531 -0.8531 -0.6360 -0.6360 -0.6120 -0.6120 5.7148 5.7148 9.9069 9.9069 12.2588 12.2588 12.3236 12.3236 12.5684 12.5684 k = 0.4459 0.2443 0.1695 ( 11309 PWs) bands (ev): -41.4046 -41.4046 -22.8988 -22.8988 -21.2742 -21.2742 -21.2562 -21.2562 -21.2501 -21.2501 -20.5907 -20.5907 -20.5902 -20.5902 -8.9673 -8.9673 -5.1231 -5.1231 -5.0421 -5.0421 -5.0289 -5.0289 -2.9843 -2.9843 -2.9548 -2.9548 -2.7271 -2.7271 -2.3631 -2.3631 -2.3521 -2.3521 -1.8519 -1.8519 -1.6085 -1.6085 -1.3705 -1.3705 -1.3649 -1.3649 -1.0258 -1.0258 -0.9976 -0.9976 -0.8528 -0.8528 -0.6341 -0.6341 -0.6103 -0.6103 5.7074 5.7074 9.9111 9.9111 12.2318 12.2318 12.3158 12.3158 12.5557 12.5557 k = 0.4324 0.2369 0.1644 ( 11330 PWs) bands (ev): -41.4046 -41.4046 -22.9004 -22.9004 -21.2731 -21.2731 -21.2553 -21.2553 -21.2504 -21.2504 -20.5903 -20.5903 -20.5898 -20.5898 -8.9706 -8.9706 -5.1262 -5.1262 -5.0447 -5.0447 -5.0351 -5.0351 -2.9785 -2.9785 -2.9487 -2.9487 -2.7393 -2.7393 -2.3695 -2.3695 -2.3583 -2.3583 -1.8331 -1.8331 -1.6075 -1.6075 -1.3632 -1.3632 -1.3577 -1.3577 -1.0256 -1.0256 -0.9974 -0.9974 -0.8525 -0.8525 -0.6319 -0.6319 -0.6082 -0.6082 5.6979 5.6979 9.9165 9.9165 12.1999 12.1999 12.3041 12.3041 12.5397 12.5397 k = 0.4189 0.2295 0.1593 ( 11318 PWs) bands (ev): -41.4046 -41.4046 -22.9023 -22.9023 -21.2719 -21.2719 -21.2540 -21.2540 -21.2507 -21.2507 -20.5898 -20.5898 -20.5893 -20.5893 -8.9745 -8.9745 -5.1302 -5.1302 -5.0474 -5.0474 -5.0425 -5.0425 -2.9717 -2.9717 -2.9417 -2.9417 -2.7533 -2.7533 -2.3769 -2.3769 -2.3653 -2.3653 -1.8116 -1.8116 -1.6059 -1.6059 -1.3544 -1.3544 -1.3492 -1.3492 -1.0253 -1.0253 -0.9972 -0.9972 -0.8521 -0.8521 -0.6291 -0.6291 -0.6056 -0.6056 5.6863 5.6863 9.9230 9.9230 12.1638 12.1638 12.2888 12.2888 12.5206 12.5206 k = 0.4054 0.2221 0.1541 ( 11309 PWs) bands (ev): -41.4046 -41.4046 -22.9045 -22.9045 -21.2708 -21.2708 -21.2522 -21.2522 -21.2510 -21.2510 -20.5893 -20.5893 -20.5888 -20.5888 -8.9790 -8.9790 -5.1353 -5.1353 -5.0511 -5.0511 -5.0501 -5.0501 -2.9641 -2.9641 -2.9338 -2.9338 -2.7687 -2.7687 -2.3850 -2.3850 -2.3730 -2.3730 -1.7883 -1.7883 -1.6030 -1.6030 -1.3445 -1.3445 -1.3395 -1.3395 -1.0250 -1.0250 -0.9970 -0.9970 -0.8516 -0.8516 -0.6259 -0.6259 -0.6025 -0.6025 5.6729 5.6729 9.9307 9.9307 12.1239 12.1239 12.2702 12.2702 12.4986 12.4986 k = 0.3919 0.2147 0.1490 ( 11309 PWs) bands (ev): -41.4046 -41.4046 -22.9070 -22.9070 -21.2701 -21.2701 -21.2515 -21.2515 -21.2496 -21.2496 -20.5886 -20.5886 -20.5881 -20.5881 -8.9842 -8.9842 -5.1415 -5.1415 -5.0607 -5.0607 -5.0527 -5.0527 -2.9561 -2.9561 -2.9254 -2.9254 -2.7853 -2.7853 -2.3934 -2.3934 -2.3810 -2.3810 -1.7644 -1.7644 -1.5983 -1.5983 -1.3336 -1.3336 -1.3288 -1.3288 -1.0246 -1.0246 -0.9968 -0.9968 -0.8511 -0.8511 -0.6223 -0.6223 -0.5991 -0.5991 5.6577 5.6577 9.9396 9.9396 12.0807 12.0807 12.2485 12.2485 12.4740 12.4740 k = 0.3784 0.2073 0.1439 ( 11294 PWs) bands (ev): -41.4046 -41.4046 -22.9098 -22.9098 -21.2695 -21.2695 -21.2520 -21.2520 -21.2466 -21.2466 -20.5879 -20.5879 -20.5874 -20.5874 -8.9900 -8.9900 -5.1489 -5.1489 -5.0713 -5.0713 -5.0549 -5.0549 -2.9478 -2.9478 -2.9168 -2.9168 -2.8026 -2.8026 -2.4018 -2.4018 -2.3890 -2.3890 -1.7413 -1.7413 -1.5904 -1.5904 -1.3217 -1.3217 -1.3173 -1.3173 -1.0242 -1.0242 -0.9965 -0.9965 -0.8506 -0.8506 -0.6183 -0.6183 -0.5954 -0.5954 5.6407 5.6407 9.9496 9.9496 12.0348 12.0348 12.2243 12.2243 12.4471 12.4471 k = 0.3649 0.1999 0.1387 ( 11315 PWs) bands (ev): -41.4046 -41.4046 -22.9128 -22.9128 -21.2693 -21.2693 -21.2525 -21.2525 -21.2429 -21.2429 -20.5871 -20.5871 -20.5866 -20.5866 -8.9962 -8.9962 -5.1574 -5.1574 -5.0826 -5.0826 -5.0568 -5.0568 -2.9396 -2.9396 -2.9082 -2.9082 -2.8204 -2.8204 -2.4100 -2.4100 -2.3966 -2.3966 -1.7210 -1.7210 -1.5780 -1.5780 -1.3092 -1.3092 -1.3050 -1.3050 -1.0237 -1.0237 -0.9962 -0.9962 -0.8500 -0.8500 -0.6139 -0.6139 -0.5913 -0.5913 5.6220 5.6220 9.9608 9.9608 11.9865 11.9865 12.1977 12.1977 12.4181 12.4181 k = 0.3514 0.1925 0.1336 ( 11309 PWs) bands (ev): -41.4046 -41.4046 -22.9160 -22.9160 -21.2692 -21.2692 -21.2530 -21.2530 -21.2387 -21.2387 -20.5863 -20.5863 -20.5858 -20.5858 -9.0030 -9.0030 -5.1669 -5.1669 -5.0947 -5.0947 -5.0582 -5.0582 -2.9317 -2.9317 -2.9001 -2.9001 -2.8385 -2.8385 -2.4175 -2.4175 -2.4036 -2.4036 -1.7050 -1.7050 -1.5597 -1.5597 -1.2961 -1.2961 -1.2922 -1.2922 -1.0232 -1.0232 -0.9958 -0.9958 -0.8494 -0.8494 -0.6093 -0.6093 -0.5869 -0.5869 5.6019 5.6019 9.9730 9.9730 11.9364 11.9364 12.1691 12.1691 12.3875 12.3875 k = 0.3378 0.1851 0.1284 ( 11285 PWs) bands (ev): -41.4046 -41.4046 -22.9195 -22.9195 -21.2694 -21.2694 -21.2536 -21.2536 -21.2340 -21.2340 -20.5854 -20.5854 -20.5849 -20.5849 -9.0101 -9.0101 -5.1773 -5.1773 -5.1073 -5.1073 -5.0592 -5.0592 -2.9245 -2.9245 -2.8927 -2.8927 -2.8565 -2.8565 -2.4240 -2.4240 -2.4097 -2.4097 -1.6940 -1.6940 -1.5354 -1.5354 -1.2825 -1.2825 -1.2790 -1.2790 -1.0226 -1.0226 -0.9954 -0.9954 -0.8487 -0.8487 -0.6044 -0.6044 -0.5823 -0.5823 5.5804 5.5804 9.9864 9.9864 11.8847 11.8847 12.1390 12.1390 12.3553 12.3553 k = 0.3243 0.1777 0.1233 ( 11267 PWs) bands (ev): -41.4046 -41.4046 -22.9231 -22.9231 -21.2697 -21.2697 -21.2542 -21.2542 -21.2290 -21.2290 -20.5844 -20.5844 -20.5839 -20.5839 -9.0177 -9.0177 -5.1885 -5.1885 -5.1204 -5.1204 -5.0598 -5.0598 -2.9183 -2.9183 -2.8871 -2.8871 -2.8737 -2.8737 -2.4291 -2.4291 -2.4144 -2.4144 -1.6872 -1.6872 -1.5060 -1.5060 -1.2686 -1.2686 -1.2654 -1.2654 -1.0219 -1.0219 -0.9950 -0.9950 -0.8481 -0.8481 -0.5994 -0.5994 -0.5775 -0.5775 5.5576 5.5576 10.0009 10.0009 11.8320 11.8320 12.1075 12.1075 12.3221 12.3221 k = 0.3108 0.1703 0.1182 ( 11297 PWs) bands (ev): -41.4046 -41.4046 -22.9268 -22.9268 -21.2700 -21.2700 -21.2549 -21.2549 -21.2237 -21.2237 -20.5835 -20.5835 -20.5830 -20.5830 -9.0255 -9.0255 -5.2004 -5.2004 -5.1338 -5.1338 -5.0601 -5.0601 -2.9134 -2.9134 -2.8940 -2.8940 -2.8795 -2.8795 -2.4325 -2.4325 -2.4176 -2.4176 -1.6835 -1.6835 -1.4728 -1.4728 -1.2546 -1.2546 -1.2516 -1.2516 -1.0211 -1.0211 -0.9946 -0.9946 -0.8474 -0.8474 -0.5942 -0.5942 -0.5726 -0.5726 5.5338 5.5338 10.0164 10.0164 11.7784 11.7784 12.0749 12.0749 12.2880 12.2880 k = 0.2973 0.1629 0.1130 ( 11288 PWs) bands (ev): -41.4046 -41.4046 -22.9306 -22.9306 -21.2705 -21.2705 -21.2555 -21.2555 -21.2182 -21.2182 -20.5824 -20.5824 -20.5819 -20.5819 -9.0337 -9.0337 -5.2127 -5.2127 -5.1475 -5.1475 -5.0602 -5.0602 -2.9107 -2.9107 -2.9099 -2.9099 -2.8767 -2.8767 -2.4340 -2.4340 -2.4190 -2.4190 -1.6819 -1.6819 -1.4372 -1.4372 -1.2404 -1.2404 -1.2378 -1.2378 -1.0201 -1.0201 -0.9941 -0.9941 -0.8468 -0.8468 -0.5889 -0.5889 -0.5675 -0.5675 5.5090 5.5090 10.0331 10.0331 11.7243 11.7243 12.0417 12.0417 12.2533 12.2533 k = 0.2838 0.1555 0.1079 ( 11294 PWs) bands (ev): -41.4046 -41.4046 -22.9345 -22.9345 -21.2710 -21.2710 -21.2562 -21.2562 -21.2126 -21.2126 -20.5814 -20.5814 -20.5809 -20.5809 -9.0420 -9.0420 -5.2253 -5.2253 -5.1613 -5.1613 -5.0599 -5.0599 -2.9275 -2.9275 -2.9080 -2.9080 -2.8751 -2.8751 -2.4336 -2.4336 -2.4185 -2.4185 -1.6816 -1.6816 -1.4000 -1.4000 -1.2263 -1.2263 -1.2239 -1.2239 -1.0191 -1.0191 -0.9935 -0.9935 -0.8462 -0.8462 -0.5836 -0.5836 -0.5625 -0.5625 5.4834 5.4834 10.0507 10.0507 11.6698 11.6698 12.0080 12.0080 12.2183 12.2183 k = 0.2703 0.1481 0.1028 ( 11303 PWs) bands (ev): -41.4046 -41.4046 -22.9385 -22.9385 -21.2715 -21.2715 -21.2569 -21.2569 -21.2068 -21.2068 -20.5803 -20.5803 -20.5798 -20.5798 -9.0504 -9.0504 -5.2381 -5.2381 -5.1752 -5.1752 -5.0595 -5.0595 -2.9439 -2.9439 -2.9077 -2.9077 -2.8752 -2.8752 -2.4310 -2.4310 -2.4161 -2.4161 -1.6823 -1.6823 -1.3621 -1.3621 -1.2123 -1.2123 -1.2101 -1.2101 -1.0179 -1.0179 -0.9928 -0.9928 -0.8456 -0.8456 -0.5784 -0.5784 -0.5574 -0.5574 5.4573 5.4573 10.0695 10.0695 11.6153 11.6153 11.9742 11.9742 12.1832 12.1832 k = 0.2568 0.1407 0.0976 ( 11288 PWs) bands (ev): -41.4046 -41.4046 -22.9425 -22.9425 -21.2721 -21.2721 -21.2576 -21.2576 -21.2009 -21.2009 -20.5793 -20.5793 -20.5788 -20.5788 -9.0590 -9.0590 -5.2509 -5.2509 -5.1889 -5.1889 -5.0590 -5.0590 -2.9597 -2.9597 -2.9091 -2.9091 -2.8770 -2.8770 -2.4265 -2.4265 -2.4119 -2.4119 -1.6836 -1.6836 -1.3240 -1.3240 -1.1985 -1.1985 -1.1963 -1.1963 -1.0165 -1.0165 -0.9921 -0.9921 -0.8450 -0.8450 -0.5732 -0.5732 -0.5525 -0.5525 5.4307 5.4307 10.0892 10.0892 11.5608 11.5608 11.9404 11.9404 12.1483 12.1483 k = 0.2432 0.1333 0.0925 ( 11295 PWs) bands (ev): -41.4046 -41.4046 -22.9464 -22.9464 -21.2727 -21.2727 -21.2583 -21.2583 -21.1950 -21.1950 -20.5782 -20.5782 -20.5777 -20.5777 -9.0676 -9.0676 -5.2638 -5.2638 -5.2025 -5.2025 -5.0583 -5.0583 -2.9748 -2.9748 -2.9120 -2.9120 -2.8805 -2.8805 -2.4201 -2.4201 -2.4060 -2.4060 -1.6854 -1.6854 -1.2863 -1.2863 -1.1850 -1.1850 -1.1826 -1.1826 -1.0148 -1.0148 -0.9913 -0.9913 -0.8444 -0.8444 -0.5682 -0.5682 -0.5476 -0.5476 5.4039 5.4039 10.1100 10.1100 11.5065 11.5065 11.9070 11.9070 12.1139 12.1139 k = 0.2297 0.1259 0.0873 ( 11304 PWs) bands (ev): -41.4046 -41.4046 -22.9504 -22.9504 -21.2733 -21.2733 -21.2590 -21.2590 -21.1892 -21.1892 -20.5772 -20.5772 -20.5767 -20.5767 -9.0761 -9.0761 -5.2764 -5.2764 -5.2158 -5.2158 -5.0575 -5.0575 -2.9892 -2.9892 -2.9163 -2.9163 -2.8854 -2.8854 -2.4122 -2.4122 -2.3986 -2.3986 -1.6874 -1.6874 -1.2495 -1.2495 -1.1719 -1.1719 -1.1688 -1.1688 -1.0129 -1.0129 -0.9904 -0.9904 -0.8439 -0.8439 -0.5633 -0.5633 -0.5430 -0.5430 5.3771 5.3771 10.1318 10.1318 11.4527 11.4527 11.8740 11.8740 12.0801 12.0801 k = 0.2162 0.1185 0.0822 ( 11301 PWs) bands (ev): -41.4046 -41.4046 -22.9542 -22.9542 -21.2739 -21.2739 -21.2597 -21.2597 -21.1834 -21.1834 -20.5761 -20.5761 -20.5756 -20.5756 -9.0845 -9.0845 -5.2888 -5.2888 -5.2288 -5.2288 -5.0566 -5.0566 -3.0030 -3.0030 -2.9217 -2.9217 -2.8916 -2.8916 -2.4029 -2.4029 -2.3900 -2.3900 -1.6896 -1.6896 -1.2146 -1.2146 -1.1592 -1.1592 -1.1543 -1.1543 -1.0107 -1.0107 -0.9893 -0.9893 -0.8434 -0.8434 -0.5587 -0.5587 -0.5385 -0.5385 5.3504 5.3504 10.1546 10.1546 11.3992 11.3992 11.8419 11.8419 12.0471 12.0471 k = 0.2027 0.1111 0.0771 ( 11307 PWs) bands (ev): -41.4046 -41.4046 -22.9580 -22.9580 -21.2745 -21.2745 -21.2603 -21.2603 -21.1778 -21.1778 -20.5751 -20.5751 -20.5746 -20.5746 -9.0927 -9.0927 -5.3008 -5.3008 -5.2413 -5.2413 -5.0557 -5.0557 -3.0159 -3.0159 -2.9281 -2.9281 -2.8986 -2.8986 -2.3927 -2.3927 -2.3804 -2.3804 -1.6919 -1.6919 -1.1836 -1.1836 -1.1470 -1.1470 -1.1376 -1.1376 -1.0080 -1.0080 -0.9881 -0.9881 -0.8430 -0.8430 -0.5544 -0.5544 -0.5343 -0.5343 5.3241 5.3241 10.1783 10.1783 11.3464 11.3464 11.8106 11.8106 12.0152 12.0152 k = 0.1892 0.1037 0.0719 ( 11325 PWs) bands (ev): -41.4046 -41.4046 -22.9616 -22.9616 -21.2751 -21.2751 -21.2610 -21.2610 -21.1723 -21.1723 -20.5741 -20.5741 -20.5736 -20.5736 -9.1007 -9.1007 -5.3125 -5.3125 -5.2534 -5.2534 -5.0547 -5.0547 -3.0281 -3.0281 -2.9351 -2.9351 -2.9063 -2.9063 -2.3818 -2.3818 -2.3701 -2.3701 -1.6942 -1.6942 -1.1595 -1.1595 -1.1354 -1.1354 -1.1160 -1.1160 -1.0048 -1.0048 -0.9867 -0.9867 -0.8426 -0.8426 -0.5504 -0.5504 -0.5303 -0.5303 5.2983 5.2983 10.2031 10.2031 11.2942 11.2942 11.7806 11.7806 11.9845 11.9845 k = 0.1757 0.0962 0.0668 ( 11325 PWs) bands (ev): -41.4046 -41.4046 -22.9651 -22.9651 -21.2757 -21.2757 -21.2616 -21.2616 -21.1670 -21.1670 -20.5731 -20.5731 -20.5726 -20.5726 -9.1085 -9.1085 -5.3236 -5.3236 -5.2649 -5.2649 -5.0537 -5.0537 -3.0394 -3.0394 -2.9425 -2.9425 -2.9145 -2.9145 -2.3705 -2.3705 -2.3594 -2.3594 -1.6965 -1.6965 -1.1428 -1.1428 -1.1245 -1.1245 -1.0894 -1.0894 -1.0010 -1.0010 -0.9851 -0.9851 -0.8422 -0.8422 -0.5468 -0.5468 -0.5267 -0.5267 5.2732 5.2732 10.2288 10.2288 11.2428 11.2428 11.7518 11.7518 11.9552 11.9552 k = 0.1622 0.0888 0.0617 ( 11331 PWs) bands (ev): -41.4046 -41.4046 -22.9685 -22.9685 -21.2762 -21.2762 -21.2622 -21.2622 -21.1619 -21.1619 -20.5722 -20.5722 -20.5717 -20.5717 -9.1159 -9.1159 -5.3341 -5.3341 -5.2758 -5.2758 -5.0527 -5.0527 -3.0500 -3.0500 -2.9502 -2.9502 -2.9228 -2.9228 -2.3592 -2.3592 -2.3486 -2.3486 -1.6987 -1.6987 -1.1308 -1.1308 -1.1144 -1.1144 -1.0612 -1.0612 -0.9963 -0.9963 -0.9833 -0.9833 -0.8419 -0.8419 -0.5434 -0.5434 -0.5234 -0.5234 5.2491 5.2491 10.2556 10.2556 11.1921 11.1921 11.7245 11.7245 11.9274 11.9274 k = 0.1486 0.0814 0.0565 ( 11313 PWs) bands (ev): -41.4046 -41.4046 -22.9716 -22.9716 -21.2767 -21.2767 -21.2627 -21.2627 -21.1571 -21.1571 -20.5713 -20.5713 -20.5708 -20.5708 -9.1229 -9.1229 -5.3440 -5.3440 -5.2859 -5.2859 -5.0518 -5.0518 -3.0597 -3.0597 -2.9579 -2.9579 -2.9310 -2.9310 -2.3479 -2.3479 -2.3378 -2.3378 -1.7009 -1.7009 -1.1213 -1.1213 -1.1050 -1.1050 -1.0345 -1.0345 -0.9900 -0.9900 -0.9812 -0.9812 -0.8416 -0.8416 -0.5405 -0.5405 -0.5204 -0.5204 5.2260 5.2260 10.2832 10.2832 11.1423 11.1423 11.6989 11.6989 11.9014 11.9014 k = 0.1351 0.0740 0.0514 ( 11295 PWs) bands (ev): -41.4046 -41.4046 -22.9746 -22.9746 -21.2772 -21.2772 -21.2633 -21.2633 -21.1526 -21.1526 -20.5705 -20.5705 -20.5700 -20.5700 -9.1295 -9.1295 -5.3532 -5.3532 -5.2954 -5.2954 -5.0508 -5.0508 -3.0686 -3.0686 -2.9654 -2.9654 -2.9391 -2.9391 -2.3370 -2.3370 -2.3274 -2.3274 -1.7030 -1.7030 -1.1135 -1.1135 -1.0966 -1.0966 -1.0124 -1.0124 -0.9799 -0.9799 -0.9789 -0.9789 -0.8414 -0.8414 -0.5379 -0.5379 -0.5178 -0.5178 5.2043 5.2043 10.3119 10.3119 11.0933 11.0933 11.6750 11.6750 11.8771 11.8771 k = 0.1216 0.0666 0.0462 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.9773 -22.9773 -21.2777 -21.2777 -21.2638 -21.2638 -21.1484 -21.1484 -20.5698 -20.5698 -20.5693 -20.5693 -9.1356 -9.1356 -5.3617 -5.3617 -5.3041 -5.3041 -5.0499 -5.0499 -3.0767 -3.0767 -2.9727 -2.9727 -2.9468 -2.9468 -2.3267 -2.3267 -2.3174 -2.3174 -1.7049 -1.7049 -1.1070 -1.1070 -1.0891 -1.0891 -0.9983 -0.9983 -0.9766 -0.9766 -0.9634 -0.9634 -0.8412 -0.8412 -0.5357 -0.5357 -0.5155 -0.5155 5.1840 5.1840 10.3415 10.3415 11.0452 11.0452 11.6530 11.6530 11.8548 11.8548 k = 0.1081 0.0592 0.0411 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.9798 -22.9798 -21.2781 -21.2781 -21.2642 -21.2642 -21.1446 -21.1446 -20.5691 -20.5691 -20.5686 -20.5686 -9.1412 -9.1412 -5.3694 -5.3694 -5.3120 -5.3120 -5.0491 -5.0491 -3.0839 -3.0839 -2.9795 -2.9795 -2.9540 -2.9540 -2.3171 -2.3171 -2.3081 -2.3081 -1.7066 -1.7066 -1.1016 -1.1016 -1.0825 -1.0825 -0.9898 -0.9898 -0.9740 -0.9740 -0.9433 -0.9433 -0.8410 -0.8410 -0.5338 -0.5338 -0.5135 -0.5135 5.1654 5.1654 10.3721 10.3721 10.9981 10.9981 11.6330 11.6330 11.8346 11.8346 k = 0.0946 0.0518 0.0360 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.9820 -22.9820 -21.2785 -21.2785 -21.2646 -21.2646 -21.1412 -21.1412 -20.5684 -20.5684 -20.5679 -20.5679 -9.1462 -9.1462 -5.3763 -5.3763 -5.3190 -5.3190 -5.0483 -5.0483 -3.0903 -3.0903 -2.9858 -2.9858 -2.9607 -2.9607 -2.3083 -2.3083 -2.2996 -2.2996 -1.7082 -1.7082 -1.0972 -1.0972 -1.0768 -1.0768 -0.9837 -0.9837 -0.9714 -0.9714 -0.9232 -0.9232 -0.8410 -0.8410 -0.5322 -0.5322 -0.5118 -0.5118 5.1486 5.1486 10.4035 10.4035 10.9520 10.9520 11.6152 11.6152 11.8165 11.8165 k = 0.0811 0.0444 0.0308 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.9840 -22.9840 -21.2788 -21.2788 -21.2650 -21.2650 -21.1382 -21.1382 -20.5679 -20.5679 -20.5674 -20.5674 -9.1506 -9.1506 -5.3823 -5.3823 -5.3252 -5.3252 -5.0476 -5.0476 -3.0959 -3.0959 -2.9914 -2.9914 -2.9666 -2.9666 -2.3004 -2.3004 -2.2920 -2.2920 -1.7096 -1.7096 -1.0936 -1.0936 -1.0721 -1.0721 -0.9785 -0.9785 -0.9688 -0.9688 -0.9049 -0.9049 -0.8409 -0.8409 -0.5309 -0.5309 -0.5105 -0.5105 5.1337 5.1337 10.4359 10.4359 10.9069 10.9069 11.5995 11.5995 11.8006 11.8006 k = 0.0676 0.0370 0.0257 ( 11265 PWs) bands (ev): -41.4046 -41.4046 -22.9857 -22.9857 -21.2791 -21.2791 -21.2653 -21.2653 -21.1356 -21.1356 -20.5674 -20.5674 -20.5669 -20.5669 -9.1544 -9.1544 -5.3874 -5.3874 -5.3305 -5.3305 -5.0471 -5.0471 -3.1005 -3.1005 -2.9963 -2.9963 -2.9717 -2.9717 -2.2936 -2.2936 -2.2854 -2.2854 -1.7108 -1.7108 -1.0908 -1.0908 -1.0682 -1.0682 -0.9741 -0.9741 -0.9663 -0.9663 -0.8888 -0.8888 -0.8410 -0.8410 -0.5299 -0.5299 -0.5094 -0.5094 5.1208 5.1208 10.4692 10.4692 10.8628 10.8628 11.5861 11.5861 11.7871 11.7871 k = 0.0541 0.0296 0.0206 ( 11247 PWs) bands (ev): -41.4046 -41.4046 -22.9870 -22.9870 -21.2794 -21.2794 -21.2655 -21.2655 -21.1335 -21.1335 -20.5670 -20.5670 -20.5665 -20.5665 -9.1575 -9.1575 -5.3917 -5.3917 -5.3348 -5.3348 -5.0466 -5.0466 -3.1044 -3.1044 -3.0003 -3.0003 -2.9760 -2.9760 -2.2880 -2.2880 -2.2799 -2.2799 -1.7118 -1.7118 -1.0885 -1.0885 -1.0651 -1.0651 -0.9704 -0.9704 -0.9641 -0.9641 -0.8752 -0.8752 -0.8412 -0.8412 -0.5291 -0.5291 -0.5085 -0.5085 5.1102 5.1102 10.5034 10.5034 10.8198 10.8198 11.5751 11.5751 11.7759 11.7759 k = 0.0405 0.0222 0.0154 ( 11265 PWs) bands (ev): -41.4046 -41.4046 -22.9881 -22.9881 -21.2796 -21.2796 -21.2657 -21.2657 -21.1318 -21.1318 -20.5667 -20.5667 -20.5662 -20.5662 -9.1600 -9.1600 -5.3950 -5.3950 -5.3382 -5.3382 -5.0462 -5.0462 -3.1074 -3.1074 -3.0035 -3.0035 -2.9793 -2.9793 -2.2835 -2.2835 -2.2756 -2.2756 -1.7126 -1.7126 -1.0869 -1.0869 -1.0628 -1.0628 -0.9674 -0.9674 -0.9622 -0.9622 -0.8642 -0.8642 -0.8416 -0.8416 -0.5286 -0.5286 -0.5078 -0.5078 5.1018 5.1018 10.5382 10.5382 10.7781 10.7781 11.5664 11.5664 11.7672 11.7672 k = 0.0270 0.0148 0.0103 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.9889 -22.9889 -21.2797 -21.2797 -21.2658 -21.2658 -21.1306 -21.1306 -20.5665 -20.5665 -20.5660 -20.5660 -9.1618 -9.1618 -5.3974 -5.3974 -5.3406 -5.3406 -5.0459 -5.0459 -3.1095 -3.1095 -3.0059 -3.0059 -2.9818 -2.9818 -2.2803 -2.2803 -2.2724 -2.2724 -1.7132 -1.7132 -1.0858 -1.0858 -1.0612 -1.0612 -0.9653 -0.9653 -0.9608 -0.9608 -0.8559 -0.8559 -0.8423 -0.8423 -0.5282 -0.5282 -0.5074 -0.5074 5.0957 5.0957 10.5733 10.5733 10.7381 10.7381 11.5602 11.5602 11.7609 11.7609 k = 0.0135 0.0074 0.0051 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.9894 -22.9894 -21.2798 -21.2798 -21.2659 -21.2659 -21.1299 -21.1299 -20.5664 -20.5664 -20.5659 -20.5659 -9.1628 -9.1628 -5.3988 -5.3988 -5.3421 -5.3421 -5.0457 -5.0457 -3.1108 -3.1108 -3.0073 -3.0073 -2.9832 -2.9832 -2.2783 -2.2783 -2.2705 -2.2705 -1.7135 -1.7135 -1.0851 -1.0851 -1.0603 -1.0603 -0.9639 -0.9639 -0.9600 -0.9600 -0.8501 -0.8501 -0.8435 -0.8435 -0.5280 -0.5280 -0.5071 -0.5071 5.0921 5.0921 10.6070 10.6070 10.7015 10.7015 11.5565 11.5565 11.7572 11.7572 k = 0.0000 0.0000 0.0000 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.9895 -22.9895 -21.2798 -21.2798 -21.2660 -21.2660 -21.1297 -21.1297 -20.5663 -20.5663 -20.5658 -20.5658 -9.1632 -9.1632 -5.3993 -5.3993 -5.3426 -5.3426 -5.0456 -5.0456 -3.1112 -3.1112 -3.0078 -3.0078 -2.9837 -2.9837 -2.2777 -2.2777 -2.2699 -2.2699 -1.7136 -1.7136 -1.0849 -1.0849 -1.0599 -1.0599 -0.9635 -0.9635 -0.9597 -0.9597 -0.8471 -0.8471 -0.8450 -0.8450 -0.5279 -0.5279 -0.5070 -0.5070 5.0908 5.0908 10.6270 10.6270 10.6805 10.6805 11.5552 11.5552 11.7559 11.7559 k = 0.0000 0.0000 0.0000 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.9895 -22.9895 -21.2798 -21.2798 -21.2660 -21.2660 -21.1297 -21.1297 -20.5663 -20.5663 -20.5658 -20.5658 -9.1632 -9.1632 -5.3993 -5.3993 -5.3426 -5.3426 -5.0456 -5.0456 -3.1112 -3.1112 -3.0078 -3.0078 -2.9837 -2.9837 -2.2777 -2.2777 -2.2699 -2.2699 -1.7136 -1.7136 -1.0849 -1.0849 -1.0599 -1.0599 -0.9635 -0.9635 -0.9597 -0.9597 -0.8471 -0.8471 -0.8450 -0.8450 -0.5279 -0.5279 -0.5070 -0.5070 5.0908 5.0908 10.6270 10.6270 10.6805 10.6805 11.5552 11.5552 11.7559 11.7559 k = 0.0079-0.0050-0.0135 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.9893 -22.9893 -21.2799 -21.2799 -21.2661 -21.2661 -21.1296 -21.1296 -20.5664 -20.5664 -20.5658 -20.5658 -9.1629 -9.1629 -5.3990 -5.3990 -5.3423 -5.3423 -5.0455 -5.0455 -3.1106 -3.1106 -3.0074 -3.0074 -2.9834 -2.9834 -2.2785 -2.2785 -2.2707 -2.2707 -1.7128 -1.7128 -1.0856 -1.0856 -1.0604 -1.0604 -0.9646 -0.9646 -0.9608 -0.9608 -0.8466 -0.8466 -0.8446 -0.8446 -0.5278 -0.5278 -0.5070 -0.5070 5.0921 5.0921 10.6249 10.6249 10.6824 10.6824 11.5568 11.5568 11.7573 11.7573 k = 0.0158-0.0101-0.0269 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.9887 -22.9887 -21.2804 -21.2804 -21.2665 -21.2665 -21.1294 -21.1294 -20.5667 -20.5667 -20.5659 -20.5659 -9.1619 -9.1619 -5.3983 -5.3983 -5.3415 -5.3415 -5.0452 -5.0452 -3.1087 -3.1087 -3.0065 -3.0065 -2.9821 -2.9821 -2.2814 -2.2814 -2.2729 -2.2729 -1.7101 -1.7101 -1.0878 -1.0878 -1.0618 -1.0618 -0.9692 -0.9692 -0.9629 -0.9629 -0.8474 -0.8474 -0.8413 -0.8413 -0.5275 -0.5275 -0.5067 -0.5067 5.0957 5.0957 10.6189 10.6189 10.6877 10.6877 11.5615 11.5615 11.7616 11.7616 k = 0.0236-0.0151-0.0404 ( 11269 PWs) bands (ev): -41.4046 -41.4046 -22.9877 -22.9877 -21.2812 -21.2812 -21.2672 -21.2672 -21.1291 -21.1291 -20.5671 -20.5671 -20.5658 -20.5658 -9.1604 -9.1604 -5.3971 -5.3971 -5.3402 -5.3402 -5.0447 -5.0447 -3.1056 -3.1056 -3.0055 -3.0055 -2.9795 -2.9795 -2.2868 -2.2868 -2.2757 -2.2757 -1.7059 -1.7059 -1.0917 -1.0917 -1.0639 -1.0639 -0.9772 -0.9772 -0.9651 -0.9651 -0.8494 -0.8494 -0.8356 -0.8356 -0.5270 -0.5270 -0.5063 -0.5063 5.1018 5.1018 10.6099 10.6099 10.6957 10.6957 11.5686 11.5686 11.7691 11.7691 k = 0.0315-0.0201-0.0539 ( 11251 PWs) bands (ev): -41.4046 -41.4046 -22.9863 -22.9863 -21.2823 -21.2823 -21.2681 -21.2681 -21.1287 -21.1287 -20.5678 -20.5678 -20.5658 -20.5658 -9.1582 -9.1582 -5.3955 -5.3955 -5.3383 -5.3383 -5.0438 -5.0438 -3.1013 -3.1013 -3.0049 -3.0049 -2.9750 -2.9750 -2.2950 -2.2950 -2.2790 -2.2790 -1.7001 -1.7001 -1.0978 -1.0978 -1.0667 -1.0667 -0.9875 -0.9875 -0.9678 -0.9678 -0.8523 -0.8523 -0.8286 -0.8286 -0.5263 -0.5263 -0.5057 -0.5057 5.1102 5.1102 10.5988 10.5988 10.7061 10.7061 11.5773 11.5773 11.7803 11.7803 k = 0.0394-0.0252-0.0674 ( 11253 PWs) bands (ev): -41.4046 -41.4046 -22.9845 -22.9845 -21.2838 -21.2838 -21.2692 -21.2692 -21.1282 -21.1282 -20.5686 -20.5686 -20.5658 -20.5658 -9.1554 -9.1554 -5.3935 -5.3935 -5.3357 -5.3357 -5.0428 -5.0428 -3.0958 -3.0958 -3.0051 -3.0051 -2.9683 -2.9683 -2.3055 -2.3055 -2.2827 -2.2827 -1.6929 -1.6929 -1.1065 -1.1065 -1.0700 -1.0700 -0.9991 -0.9991 -0.9712 -0.9712 -0.8559 -0.8559 -0.8205 -0.8205 -0.5256 -0.5256 -0.5051 -0.5051 5.1209 5.1209 10.5859 10.5859 10.7185 10.7185 11.5867 11.5867 11.7958 11.7958 k = 0.0473-0.0302-0.0808 ( 11253 PWs) bands (ev): -41.4046 -41.4046 -22.9824 -22.9824 -21.2858 -21.2858 -21.2703 -21.2703 -21.1275 -21.1275 -20.5696 -20.5696 -20.5657 -20.5657 -9.1521 -9.1521 -5.3913 -5.3913 -5.3325 -5.3325 -5.0414 -5.0414 -3.0892 -3.0892 -3.0060 -3.0060 -2.9596 -2.9596 -2.3182 -2.3182 -2.2870 -2.2870 -1.6845 -1.6845 -1.1183 -1.1183 -1.0737 -1.0737 -1.0112 -1.0112 -0.9751 -0.9751 -0.8601 -0.8601 -0.8119 -0.8119 -0.5248 -0.5248 -0.5043 -0.5043 5.1337 5.1337 10.5719 10.5719 10.7330 10.7330 11.5958 11.5958 11.8158 11.8158 k = 0.0552-0.0352-0.0943 ( 11243 PWs) bands (ev): -41.4046 -41.4046 -22.9798 -22.9798 -21.2883 -21.2883 -21.2715 -21.2715 -21.1268 -21.1268 -20.5708 -20.5708 -20.5657 -20.5657 -9.1481 -9.1481 -5.3890 -5.3890 -5.3286 -5.3286 -5.0398 -5.0398 -3.0815 -3.0815 -3.0076 -3.0076 -2.9489 -2.9489 -2.3327 -2.3327 -2.2918 -2.2918 -1.6752 -1.6752 -1.1335 -1.1335 -1.0778 -1.0778 -1.0232 -1.0232 -0.9795 -0.9795 -0.8649 -0.8649 -0.8028 -0.8028 -0.5240 -0.5240 -0.5036 -0.5036 5.1486 5.1486 10.5571 10.5571 10.7495 10.7495 11.6039 11.6039 11.8406 11.8406 k = 0.0630-0.0403-0.1078 ( 11249 PWs) bands (ev): -41.4046 -41.4046 -22.9770 -22.9770 -21.2912 -21.2912 -21.2728 -21.2728 -21.1259 -21.1259 -20.5721 -20.5721 -20.5656 -20.5656 -9.1436 -9.1436 -5.3865 -5.3865 -5.3239 -5.3239 -5.0378 -5.0378 -3.0728 -3.0728 -3.0095 -3.0095 -2.9365 -2.9365 -2.3487 -2.3487 -2.2973 -2.2973 -1.6650 -1.6650 -1.1521 -1.1521 -1.0824 -1.0824 -1.0346 -1.0346 -0.9843 -0.9843 -0.8701 -0.8701 -0.7935 -0.7935 -0.5233 -0.5233 -0.5028 -0.5028 5.1655 5.1655 10.5420 10.5420 10.7678 10.7678 11.6108 11.6108 11.8701 11.8701 k = 0.0709-0.0453-0.1213 ( 11249 PWs) bands (ev): -41.4046 -41.4046 -22.9737 -22.9737 -21.2947 -21.2947 -21.2740 -21.2740 -21.1250 -21.1250 -20.5735 -20.5735 -20.5656 -20.5656 -9.1386 -9.1386 -5.3839 -5.3839 -5.3184 -5.3184 -5.0354 -5.0354 -3.0632 -3.0632 -3.0117 -3.0117 -2.9226 -2.9226 -2.3659 -2.3659 -2.3034 -2.3034 -1.6543 -1.6543 -1.1742 -1.1742 -1.0874 -1.0874 -1.0454 -1.0454 -0.9896 -0.9896 -0.8756 -0.8756 -0.7840 -0.7840 -0.5227 -0.5227 -0.5021 -0.5021 5.1841 5.1841 10.5270 10.5270 10.7879 10.7879 11.6162 11.6162 11.9037 11.9037 k = 0.0788-0.0503-0.1347 ( 11255 PWs) bands (ev): -41.4046 -41.4046 -22.9702 -22.9702 -21.2985 -21.2985 -21.2753 -21.2753 -21.1239 -21.1239 -20.5751 -20.5751 -20.5655 -20.5655 -9.1331 -9.1331 -5.3814 -5.3814 -5.3123 -5.3123 -5.0325 -5.0325 -3.0529 -3.0529 -3.0138 -3.0138 -2.9076 -2.9076 -2.3841 -2.3841 -2.3100 -2.3100 -1.6432 -1.6432 -1.1993 -1.1993 -1.0931 -1.0931 -1.0554 -1.0554 -0.9952 -0.9952 -0.8815 -0.8815 -0.7745 -0.7745 -0.5222 -0.5222 -0.5014 -0.5014 5.2044 5.2044 10.5124 10.5124 10.8096 10.8096 11.6205 11.6205 11.9409 11.9409 k = 0.0867-0.0554-0.1482 ( 11253 PWs) bands (ev): -41.4046 -41.4046 -22.9663 -22.9663 -21.3028 -21.3028 -21.2767 -21.2767 -21.1228 -21.1228 -20.5768 -20.5768 -20.5655 -20.5655 -9.1271 -9.1271 -5.3789 -5.3789 -5.3054 -5.3054 -5.0293 -5.0293 -3.0424 -3.0424 -3.0154 -3.0154 -2.8917 -2.8917 -2.4029 -2.4029 -2.3171 -2.3171 -1.6320 -1.6320 -1.2269 -1.2269 -1.0994 -1.0994 -1.0649 -1.0649 -1.0011 -1.0011 -0.8876 -0.8876 -0.7649 -0.7649 -0.5218 -0.5218 -0.5009 -0.5009 5.2261 5.2261 10.4986 10.4986 10.8327 10.8327 11.6238 11.6238 11.9811 11.9811 k = 0.0946-0.0604-0.1617 ( 11257 PWs) bands (ev): -41.4046 -41.4046 -22.9621 -22.9621 -21.3073 -21.3073 -21.2781 -21.2781 -21.1215 -21.1215 -20.5785 -20.5785 -20.5656 -20.5656 -9.1206 -9.1206 -5.3764 -5.3764 -5.2979 -5.2979 -5.0255 -5.0255 -3.0335 -3.0335 -3.0145 -3.0145 -2.8751 -2.8751 -2.4219 -2.4219 -2.3245 -2.3245 -1.6209 -1.6209 -1.2567 -1.2567 -1.1064 -1.1064 -1.0741 -1.0741 -1.0071 -1.0071 -0.8938 -0.8938 -0.7553 -0.7553 -0.5216 -0.5216 -0.5006 -0.5006 5.2491 5.2491 10.4858 10.4858 10.8571 10.8571 11.6263 11.6263 12.0236 12.0236 k = 0.1024-0.0654-0.1752 ( 11253 PWs) bands (ev): -41.4046 -41.4046 -22.9577 -22.9577 -21.3122 -21.3122 -21.2796 -21.2796 -21.1203 -21.1203 -20.5804 -20.5804 -20.5656 -20.5656 -9.1136 -9.1136 -5.3739 -5.3739 -5.2899 -5.2899 -5.0212 -5.0212 -3.0302 -3.0302 -3.0074 -3.0074 -2.8585 -2.8585 -2.4406 -2.4406 -2.3323 -2.3323 -1.6103 -1.6103 -1.2881 -1.2881 -1.1140 -1.1140 -1.0830 -1.0830 -1.0134 -1.0134 -0.9002 -0.9002 -0.7458 -0.7458 -0.5216 -0.5216 -0.5004 -0.5004 5.2732 5.2732 10.4744 10.4744 10.8824 10.8824 11.6283 11.6283 12.0680 12.0680 k = 0.1103-0.0705-0.1886 ( 11251 PWs) bands (ev): -41.4046 -41.4046 -22.9530 -22.9530 -21.3174 -21.3174 -21.2811 -21.2811 -21.1190 -21.1190 -20.5823 -20.5823 -20.5657 -20.5657 -9.1063 -9.1063 -5.3714 -5.3714 -5.2815 -5.2815 -5.0164 -5.0164 -3.0310 -3.0310 -2.9954 -2.9954 -2.8421 -2.8421 -2.4587 -2.4587 -2.3403 -2.3403 -1.6006 -1.6006 -1.3204 -1.3204 -1.1223 -1.1223 -1.0918 -1.0918 -1.0197 -1.0197 -0.9065 -0.9065 -0.7364 -0.7364 -0.5218 -0.5218 -0.5005 -0.5005 5.2983 5.2983 10.4645 10.4645 10.9084 10.9084 11.6300 11.6300 12.1136 12.1136 k = 0.1182-0.0755-0.2021 ( 11251 PWs) bands (ev): -41.4046 -41.4046 -22.9481 -22.9481 -21.3227 -21.3227 -21.2828 -21.2828 -21.1176 -21.1176 -20.5842 -20.5842 -20.5658 -20.5658 -9.0987 -9.0987 -5.3688 -5.3688 -5.2728 -5.2728 -5.0109 -5.0109 -3.0332 -3.0332 -2.9814 -2.9814 -2.8267 -2.8267 -2.4754 -2.4754 -2.3482 -2.3482 -1.5923 -1.5923 -1.3528 -1.3528 -1.1312 -1.1312 -1.1007 -1.1007 -1.0261 -1.0261 -0.9129 -0.9129 -0.7272 -0.7272 -0.5223 -0.5223 -0.5007 -0.5007 5.3242 5.3242 10.4563 10.4563 10.9349 10.9349 11.6316 11.6316 12.1600 12.1600 k = 0.1261-0.0805-0.2156 ( 11249 PWs) bands (ev): -41.4046 -41.4046 -22.9429 -22.9429 -21.3282 -21.3282 -21.2845 -21.2845 -21.1162 -21.1162 -20.5861 -20.5861 -20.5660 -20.5660 -9.0906 -9.0906 -5.3662 -5.3662 -5.2638 -5.2638 -5.0049 -5.0049 -3.0357 -3.0357 -2.9666 -2.9666 -2.8129 -2.8129 -2.4901 -2.4901 -2.3561 -2.3561 -1.5864 -1.5864 -1.3843 -1.3843 -1.1407 -1.1407 -1.1096 -1.1096 -1.0326 -1.0326 -0.9192 -0.9192 -0.7181 -0.7181 -0.5230 -0.5230 -0.5011 -0.5011 5.3506 5.3506 10.4500 10.4500 10.9613 10.9613 11.6333 11.6333 12.2069 12.2069 k = 0.1340-0.0856-0.2291 ( 11255 PWs) bands (ev): -41.4046 -41.4046 -22.9376 -22.9376 -21.3338 -21.3338 -21.2864 -21.2864 -21.1149 -21.1149 -20.5880 -20.5880 -20.5663 -20.5663 -9.0823 -9.0823 -5.3635 -5.3635 -5.2547 -5.2547 -4.9983 -4.9983 -3.0383 -3.0383 -2.9514 -2.9514 -2.8015 -2.8015 -2.5022 -2.5022 -2.3634 -2.3634 -1.5844 -1.5844 -1.4132 -1.4132 -1.1507 -1.1507 -1.1187 -1.1187 -1.0391 -1.0391 -0.9253 -0.9253 -0.7092 -0.7092 -0.5240 -0.5240 -0.5018 -0.5018 5.3774 5.3774 10.4458 10.4458 10.9874 10.9874 11.6353 11.6353 12.2538 12.2538 k = 0.1419-0.0906-0.2425 ( 11249 PWs) bands (ev): -41.4046 -41.4046 -22.9322 -22.9322 -21.3395 -21.3395 -21.2883 -21.2883 -21.1136 -21.1136 -20.5899 -20.5899 -20.5666 -20.5666 -9.0738 -9.0738 -5.3607 -5.3607 -5.2455 -5.2455 -4.9911 -4.9911 -3.0409 -3.0409 -2.9361 -2.9361 -2.7929 -2.7929 -2.5111 -2.5111 -2.3700 -2.3700 -1.5886 -1.5886 -1.4369 -1.4369 -1.1613 -1.1613 -1.1279 -1.1279 -1.0457 -1.0457 -0.9313 -0.9313 -0.7005 -0.7005 -0.5253 -0.5253 -0.5026 -0.5026 5.4045 5.4045 10.4436 10.4436 11.0128 11.0128 11.6379 11.6379 12.3003 12.3003 k = 0.1497-0.0956-0.2560 ( 11245 PWs) bands (ev): -41.4046 -41.4046 -22.9266 -22.9266 -21.3452 -21.3452 -21.2904 -21.2904 -21.1123 -21.1123 -20.5917 -20.5917 -20.5669 -20.5669 -9.0650 -9.0650 -5.3577 -5.3577 -5.2364 -5.2364 -4.9834 -4.9834 -3.0433 -3.0433 -2.9214 -2.9214 -2.7873 -2.7873 -2.5168 -2.5168 -2.3754 -2.3754 -1.6012 -1.6012 -1.4532 -1.4532 -1.1723 -1.1723 -1.1371 -1.1371 -1.0524 -1.0524 -0.9370 -0.9370 -0.6921 -0.6921 -0.5269 -0.5269 -0.5036 -0.5036 5.4317 5.4317 10.4436 10.4436 11.0371 11.0371 11.6412 11.6412 12.3461 12.3461 k = 0.1576-0.1007-0.2695 ( 11251 PWs) bands (ev): -41.4046 -41.4046 -22.9209 -22.9209 -21.3508 -21.3508 -21.2926 -21.2926 -21.1110 -21.1110 -20.5935 -20.5935 -20.5674 -20.5674 -9.0560 -9.0560 -5.3546 -5.3546 -5.2273 -5.2273 -4.9753 -4.9753 -3.0457 -3.0457 -2.9079 -2.9079 -2.7842 -2.7842 -2.5196 -2.5196 -2.3791 -2.3791 -1.6221 -1.6221 -1.4617 -1.4617 -1.1839 -1.1839 -1.1464 -1.1464 -1.0593 -1.0593 -0.9425 -0.9425 -0.6839 -0.6839 -0.5288 -0.5288 -0.5047 -0.5047 5.4588 5.4588 10.4458 10.4458 11.0597 11.0597 11.6454 11.6454 12.3909 12.3909 k = 0.1655-0.1057-0.2830 ( 11257 PWs) bands (ev): -41.4046 -41.4046 -22.9152 -22.9152 -21.3564 -21.3564 -21.2949 -21.2949 -21.1099 -21.1099 -20.5951 -20.5951 -20.5679 -20.5679 -9.0469 -9.0469 -5.3514 -5.3514 -5.2184 -5.2184 -4.9667 -4.9667 -3.0480 -3.0480 -2.8966 -2.8966 -2.7823 -2.7823 -2.5206 -2.5206 -2.3804 -2.3804 -1.6491 -1.6491 -1.4642 -1.4642 -1.1959 -1.1959 -1.1557 -1.1557 -1.0664 -1.0664 -0.9475 -0.9475 -0.6760 -0.6760 -0.5310 -0.5310 -0.5060 -0.5060 5.4857 5.4857 10.4503 10.4503 11.0804 11.0804 11.6507 11.6507 12.4343 12.4343 k = 0.1734-0.1107-0.2964 ( 11257 PWs) bands (ev): -41.4046 -41.4046 -22.9094 -22.9094 -21.3618 -21.3618 -21.2972 -21.2972 -21.1089 -21.1089 -20.5966 -20.5966 -20.5685 -20.5685 -9.0376 -9.0376 -5.3480 -5.3480 -5.2097 -5.2097 -4.9579 -4.9579 -3.0503 -3.0503 -2.8888 -2.8888 -2.7795 -2.7795 -2.5209 -2.5209 -2.3792 -2.3792 -1.6794 -1.6794 -1.4635 -1.4635 -1.2083 -1.2083 -1.1649 -1.1649 -1.0738 -1.0738 -0.9522 -0.9522 -0.6685 -0.6685 -0.5336 -0.5336 -0.5075 -0.5075 5.5123 5.5123 10.4571 10.4571 11.0987 11.0987 11.6573 11.6573 12.4762 12.4762 k = 0.1813-0.1158-0.3099 ( 11261 PWs) bands (ev): -41.4046 -41.4046 -22.9037 -22.9037 -21.3671 -21.3671 -21.2997 -21.2997 -21.1080 -21.1080 -20.5980 -20.5980 -20.5691 -20.5691 -9.0283 -9.0283 -5.3444 -5.3444 -5.2012 -5.2012 -4.9489 -4.9489 -3.0526 -3.0526 -2.8855 -2.8855 -2.7743 -2.7743 -2.5215 -2.5215 -2.3755 -2.3755 -1.7104 -1.7104 -1.4612 -1.4612 -1.2212 -1.2212 -1.1738 -1.1738 -1.0816 -1.0816 -0.9565 -0.9565 -0.6613 -0.6613 -0.5364 -0.5364 -0.5091 -0.5091 5.5385 5.5385 10.4660 10.4660 11.1143 11.1143 11.6652 11.6652 12.5162 12.5162 k = 0.1891-0.1208-0.3234 ( 11269 PWs) bands (ev): -41.4046 -41.4046 -22.8979 -22.8979 -21.3722 -21.3722 -21.3023 -21.3023 -21.1072 -21.1072 -20.5992 -20.5992 -20.5698 -20.5698 -9.0190 -9.0190 -5.3406 -5.3406 -5.1928 -5.1928 -4.9399 -4.9399 -3.0551 -3.0551 -2.8864 -2.8864 -2.7659 -2.7659 -2.5227 -2.5227 -2.3701 -2.3701 -1.7406 -1.7406 -1.4584 -1.4584 -1.2345 -1.2345 -1.1825 -1.1825 -1.0898 -1.0898 -0.9602 -0.9602 -0.6544 -0.6544 -0.5395 -0.5395 -0.5108 -0.5108 5.5641 5.5641 10.4772 10.4772 11.1270 11.1270 11.6743 11.6743 12.5542 12.5542 k = 0.1970-0.1258-0.3369 ( 11269 PWs) bands (ev): -41.4046 -41.4046 -22.8922 -22.8922 -21.3770 -21.3770 -21.3049 -21.3049 -21.1067 -21.1067 -20.6002 -20.6002 -20.5706 -20.5706 -9.0097 -9.0097 -5.3367 -5.3367 -5.1847 -5.1847 -4.9310 -4.9310 -3.0577 -3.0577 -2.8904 -2.8904 -2.7551 -2.7551 -2.5244 -2.5244 -2.3641 -2.3641 -1.7685 -1.7685 -1.4559 -1.4559 -1.2482 -1.2482 -1.1908 -1.1908 -1.0986 -1.0986 -0.9635 -0.9635 -0.6479 -0.6479 -0.5429 -0.5429 -0.5127 -0.5127 5.5890 5.5890 10.4905 10.4905 11.1367 11.1367 11.6846 11.6846 12.5899 12.5899 k = 0.2049-0.1309-0.3503 ( 11269 PWs) bands (ev): -41.4046 -41.4046 -22.8866 -22.8866 -21.3815 -21.3815 -21.3076 -21.3076 -21.1062 -21.1062 -20.6011 -20.6011 -20.5715 -20.5715 -9.0004 -9.0004 -5.3325 -5.3325 -5.1767 -5.1767 -4.9224 -4.9224 -3.0606 -3.0606 -2.8960 -2.8960 -2.7432 -2.7432 -2.5260 -2.5260 -2.3592 -2.3592 -1.7928 -1.7928 -1.4539 -1.4539 -1.2623 -1.2623 -1.1987 -1.1987 -1.1078 -1.1078 -0.9662 -0.9662 -0.6418 -0.6418 -0.5465 -0.5465 -0.5147 -0.5147 5.6133 5.6133 10.5059 10.5059 11.1433 11.1433 11.6958 11.6958 12.6233 12.6233 k = 0.2128-0.1359-0.3638 ( 11259 PWs) bands (ev): -41.4046 -41.4046 -22.8811 -22.8811 -21.3857 -21.3857 -21.3104 -21.3104 -21.1060 -21.1060 -20.6017 -20.6017 -20.5724 -20.5724 -8.9912 -8.9912 -5.3282 -5.3282 -5.1689 -5.1689 -4.9141 -4.9141 -3.0638 -3.0638 -2.9019 -2.9019 -2.7314 -2.7314 -2.5266 -2.5266 -2.3569 -2.3569 -1.8122 -1.8122 -1.4528 -1.4528 -1.2767 -1.2767 -1.2062 -1.2062 -1.1176 -1.1176 -0.9685 -0.9685 -0.6361 -0.6361 -0.5502 -0.5502 -0.5169 -0.5169 5.6368 5.6368 10.5231 10.5231 11.1469 11.1469 11.7076 11.7076 12.6544 12.6544 k = 0.2207-0.1409-0.3773 ( 11257 PWs) bands (ev): -41.4046 -41.4046 -22.8757 -22.8757 -21.3896 -21.3896 -21.3133 -21.3133 -21.1060 -21.1060 -20.6022 -20.6022 -20.5734 -20.5734 -8.9821 -8.9821 -5.3237 -5.3237 -5.1613 -5.1613 -4.9065 -4.9065 -3.0673 -3.0673 -2.9070 -2.9070 -2.7210 -2.7210 -2.5253 -2.5253 -2.3587 -2.3587 -1.8257 -1.8257 -1.4527 -1.4527 -1.2915 -1.2915 -1.2133 -1.2133 -1.1279 -1.1279 -0.9701 -0.9701 -0.6309 -0.6309 -0.5541 -0.5541 -0.5192 -0.5192 5.6595 5.6595 10.5422 10.5422 11.1477 11.1477 11.7195 11.7195 12.6830 12.6830 k = 0.2285-0.1460-0.3908 ( 11261 PWs) bands (ev): -41.4046 -41.4046 -22.8705 -22.8705 -21.3931 -21.3931 -21.3162 -21.3162 -21.1063 -21.1063 -20.6025 -20.6025 -20.5745 -20.5745 -8.9732 -8.9732 -5.3190 -5.3190 -5.1538 -5.1538 -4.8996 -4.8996 -3.0710 -3.0710 -2.9110 -2.9110 -2.7127 -2.7127 -2.5214 -2.5214 -2.3654 -2.3654 -1.8327 -1.8327 -1.4536 -1.4536 -1.3065 -1.3065 -1.2200 -1.2200 -1.1389 -1.1389 -0.9713 -0.9713 -0.6261 -0.6261 -0.5581 -0.5581 -0.5216 -0.5216 5.6813 5.6813 10.5629 10.5629 11.1459 11.1459 11.7312 11.7312 12.7093 12.7093 k = 0.2364-0.1510-0.4042 ( 11257 PWs) bands (ev): -41.4046 -41.4046 -22.8655 -22.8655 -21.3961 -21.3961 -21.3192 -21.3192 -21.1067 -21.1067 -20.6026 -20.6026 -20.5755 -20.5755 -8.9644 -8.9644 -5.3142 -5.3142 -5.1464 -5.1464 -4.8935 -4.8935 -3.0747 -3.0747 -2.9136 -2.9136 -2.7069 -2.7069 -2.5145 -2.5145 -2.3775 -2.3775 -1.8330 -1.8330 -1.4556 -1.4556 -1.3218 -1.3218 -1.2263 -1.2263 -1.1503 -1.1503 -0.9721 -0.9721 -0.6218 -0.6218 -0.5620 -0.5620 -0.5242 -0.5242 5.7022 5.7022 10.5851 10.5851 11.1419 11.1419 11.7422 11.7422 12.7333 12.7333 k = 0.2443-0.1560-0.4177 ( 11265 PWs) bands (ev): -41.4046 -41.4046 -22.8607 -22.8607 -21.3987 -21.3987 -21.3222 -21.3222 -21.1074 -21.1074 -20.6026 -20.6026 -20.5765 -20.5765 -8.9559 -8.9559 -5.3092 -5.3092 -5.1392 -5.1392 -4.8884 -4.8884 -3.0783 -3.0783 -2.9147 -2.9147 -2.7037 -2.7037 -2.5046 -2.5046 -2.3945 -2.3945 -1.8270 -1.8270 -1.4587 -1.4587 -1.3373 -1.3373 -1.2324 -1.2324 -1.1623 -1.1623 -0.9723 -0.9723 -0.6180 -0.6180 -0.5659 -0.5659 -0.5269 -0.5269 5.7222 5.7222 10.6086 10.6086 11.1359 11.1359 11.7521 11.7521 12.7553 12.7553 k = 0.2522-0.1611-0.4312 ( 11275 PWs) bands (ev): -41.4046 -41.4046 -22.8561 -22.8561 -21.4009 -21.4009 -21.3253 -21.3253 -21.1083 -21.1083 -20.6025 -20.6025 -20.5775 -20.5775 -8.9476 -8.9476 -5.3041 -5.3041 -5.1320 -5.1320 -4.8843 -4.8843 -3.0815 -3.0815 -2.9145 -2.9145 -2.7026 -2.7026 -2.4929 -2.4929 -2.4152 -2.4152 -1.8153 -1.8153 -1.4628 -1.4628 -1.3530 -1.3530 -1.2384 -1.2384 -1.1748 -1.1748 -0.9722 -0.9722 -0.6148 -0.6148 -0.5696 -0.5696 -0.5298 -0.5298 5.7413 5.7413 10.6331 10.6331 11.1284 11.1284 11.7605 11.7605 12.7755 12.7755 k = 0.2601-0.1661-0.4447 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.8517 -22.8517 -21.4026 -21.4026 -21.3283 -21.3283 -21.1094 -21.1094 -20.6024 -20.6024 -20.5784 -20.5784 -8.9395 -8.9395 -5.2989 -5.2989 -5.1249 -5.1249 -4.8814 -4.8814 -3.0842 -3.0842 -2.9131 -2.9131 -2.7028 -2.7028 -2.4830 -2.4830 -2.4354 -2.4354 -1.7992 -1.7992 -1.4677 -1.4677 -1.3689 -1.3689 -1.2444 -1.2444 -1.1876 -1.1876 -0.9717 -0.9717 -0.6123 -0.6123 -0.5730 -0.5730 -0.5327 -0.5327 5.7595 5.7595 10.6584 10.6584 11.1195 11.1195 11.7670 11.7670 12.7941 12.7941 k = 0.2679-0.1711-0.4581 ( 11275 PWs) bands (ev): -41.4046 -41.4046 -22.8476 -22.8476 -21.4038 -21.4038 -21.3314 -21.3314 -21.1107 -21.1107 -20.6023 -20.6023 -20.5790 -20.5790 -8.9318 -8.9318 -5.2936 -5.2936 -5.1178 -5.1178 -4.8796 -4.8796 -3.0862 -3.0862 -2.9107 -2.9107 -2.7035 -2.7035 -2.4888 -2.4888 -2.4409 -2.4409 -1.7794 -1.7794 -1.4736 -1.4736 -1.3849 -1.3849 -1.2507 -1.2507 -1.2006 -1.2006 -0.9709 -0.9709 -0.6105 -0.6105 -0.5761 -0.5761 -0.5357 -0.5357 5.7768 5.7768 10.6841 10.6841 11.1098 11.1098 11.7715 11.7715 12.8113 12.8113 k = 0.2758-0.1762-0.4716 ( 11273 PWs) bands (ev): -41.4046 -41.4046 -22.8438 -22.8438 -21.4045 -21.4045 -21.3345 -21.3345 -21.1122 -21.1122 -20.6024 -20.6024 -20.5794 -20.5794 -8.9243 -8.9243 -5.2882 -5.2882 -5.1109 -5.1109 -4.8790 -4.8790 -3.0876 -3.0876 -2.9075 -2.9075 -2.7041 -2.7041 -2.5135 -2.5135 -2.4283 -2.4283 -1.7572 -1.7572 -1.4803 -1.4803 -1.4009 -1.4009 -1.2575 -1.2575 -1.2136 -1.2136 -0.9698 -0.9698 -0.6095 -0.6095 -0.5787 -0.5787 -0.5387 -0.5387 5.7931 5.7931 10.7100 10.7100 11.0996 11.0996 11.7738 11.7738 12.8274 12.8274 k = 0.2837-0.1812-0.4851 ( 11287 PWs) bands (ev): -41.4046 -41.4046 -22.8403 -22.8403 -21.4048 -21.4048 -21.3376 -21.3376 -21.1139 -21.1139 -20.6027 -20.6027 -20.5795 -20.5795 -8.9172 -8.9172 -5.2828 -5.2828 -5.1041 -5.1041 -4.8795 -4.8795 -3.0883 -3.0883 -2.9038 -2.9038 -2.7038 -2.7038 -2.5438 -2.5438 -2.4103 -2.4103 -1.7331 -1.7331 -1.4877 -1.4877 -1.4167 -1.4167 -1.2652 -1.2652 -1.2262 -1.2262 -0.9685 -0.9685 -0.6094 -0.6094 -0.5807 -0.5807 -0.5416 -0.5416 5.8086 5.8086 10.7355 10.7355 11.0894 11.0894 11.7739 11.7739 12.8427 12.8427 k = 0.2916-0.1862-0.4986 ( 11279 PWs) bands (ev): -41.4046 -41.4046 -22.8370 -22.8370 -21.4045 -21.4045 -21.3407 -21.3407 -21.1158 -21.1158 -20.6033 -20.6033 -20.5791 -20.5791 -8.9104 -8.9104 -5.2773 -5.2773 -5.0973 -5.0973 -4.8810 -4.8810 -3.0887 -3.0887 -2.8997 -2.8997 -2.7022 -2.7022 -2.5758 -2.5758 -2.3906 -2.3906 -1.7082 -1.7082 -1.4960 -1.4960 -1.4323 -1.4323 -1.2741 -1.2741 -1.2381 -1.2381 -0.9669 -0.9669 -0.6101 -0.6101 -0.5822 -0.5822 -0.5445 -0.5445 5.8233 5.8233 10.7601 10.7601 11.0796 11.0796 11.7718 11.7718 12.8574 12.8574 k = 0.2995-0.1913-0.5120 ( 11275 PWs) bands (ev): -41.4046 -41.4046 -22.8340 -22.8340 -21.4038 -21.4038 -21.3438 -21.3438 -21.1179 -21.1179 -20.6042 -20.6042 -20.5782 -20.5782 -8.9040 -8.9040 -5.2719 -5.2719 -5.0907 -5.0907 -4.8836 -4.8836 -3.0888 -3.0888 -2.8953 -2.8953 -2.6989 -2.6989 -2.6080 -2.6080 -2.3704 -2.3704 -1.6830 -1.6830 -1.5053 -1.5053 -1.4471 -1.4471 -1.2847 -1.2847 -1.2487 -1.2487 -0.9652 -0.9652 -0.6116 -0.6116 -0.5833 -0.5833 -0.5472 -0.5472 5.8371 5.8371 10.7832 10.7832 11.0709 11.0709 11.7676 11.7676 12.8716 12.8716 k = 0.3073-0.1963-0.5255 ( 11273 PWs) bands (ev): -41.4046 -41.4046 -22.8313 -22.8313 -21.4027 -21.4027 -21.3468 -21.3468 -21.1201 -21.1201 -20.6055 -20.6055 -20.5770 -20.5770 -8.8979 -8.8979 -5.2666 -5.2666 -5.0843 -5.0843 -4.8870 -4.8870 -3.0892 -3.0892 -2.8908 -2.8908 -2.6941 -2.6941 -2.6390 -2.6390 -2.3499 -2.3499 -1.6584 -1.6584 -1.5157 -1.5157 -1.4607 -1.4607 -1.2967 -1.2967 -1.2582 -1.2582 -0.9633 -0.9633 -0.6137 -0.6137 -0.5844 -0.5844 -0.5497 -0.5497 5.8501 5.8501 10.8040 10.8040 11.0642 11.0642 11.7615 11.7615 12.8856 12.8856 k = 0.3152-0.2013-0.5390 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.8289 -22.8289 -21.4011 -21.4011 -21.3498 -21.3498 -21.1224 -21.1224 -20.6071 -20.6071 -20.5754 -20.5754 -8.8922 -8.8922 -5.2613 -5.2613 -5.0781 -5.0781 -4.8911 -4.8911 -3.0900 -3.0900 -2.8864 -2.8864 -2.6898 -2.6898 -2.6656 -2.6656 -2.3296 -2.3296 -1.6355 -1.6355 -1.5274 -1.5274 -1.4723 -1.4723 -1.3098 -1.3098 -1.2668 -1.2668 -0.9613 -0.9613 -0.6162 -0.6162 -0.5856 -0.5856 -0.5517 -0.5517 5.8623 5.8623 10.8214 10.8214 11.0601 11.0601 11.7538 11.7538 12.8995 12.8995 k = 0.3231-0.2064-0.5525 ( 11267 PWs) bands (ev): -41.4046 -41.4046 -22.8268 -22.8268 -21.3992 -21.3992 -21.3527 -21.3527 -21.1249 -21.1249 -20.6090 -20.6090 -20.5734 -20.5734 -8.8869 -8.8869 -5.2562 -5.2562 -5.0721 -5.0721 -4.8958 -4.8958 -3.0916 -3.0916 -2.8829 -2.8829 -2.7022 -2.7022 -2.6706 -2.6706 -2.3095 -2.3095 -1.6159 -1.6159 -1.5404 -1.5404 -1.4809 -1.4809 -1.3231 -1.3231 -1.2747 -1.2747 -0.9591 -0.9591 -0.6189 -0.6189 -0.5871 -0.5871 -0.5531 -0.5531 5.8738 5.8738 10.8346 10.8346 11.0597 11.0597 11.7448 11.7448 12.9133 12.9133 k = 0.3310-0.2114-0.5659 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.8249 -22.8249 -21.3969 -21.3969 -21.3555 -21.3555 -21.1274 -21.1274 -20.6111 -20.6111 -20.5712 -20.5712 -8.8820 -8.8820 -5.2512 -5.2512 -5.0666 -5.0666 -4.9007 -4.9007 -3.0942 -3.0942 -2.8817 -2.8817 -2.7227 -2.7227 -2.6604 -2.6604 -2.2899 -2.2899 -1.6022 -1.6022 -1.5538 -1.5538 -1.4855 -1.4855 -1.3359 -1.3359 -1.2824 -1.2824 -0.9569 -0.9569 -0.6219 -0.6219 -0.5891 -0.5891 -0.5540 -0.5540 5.8846 5.8846 10.8429 10.8429 11.0634 11.0634 11.7348 11.7348 12.9272 12.9272 k = 0.3389-0.2164-0.5794 ( 11267 PWs) bands (ev): -41.4046 -41.4046 -22.8233 -22.8233 -21.3943 -21.3943 -21.3582 -21.3582 -21.1299 -21.1299 -20.6133 -20.6133 -20.5689 -20.5689 -8.8774 -8.8774 -5.2464 -5.2464 -5.0615 -5.0615 -4.9058 -4.9058 -3.0979 -3.0979 -2.8850 -2.8850 -2.7373 -2.7373 -2.6468 -2.6468 -2.2708 -2.2708 -1.5986 -1.5986 -1.5652 -1.5652 -1.4854 -1.4854 -1.3469 -1.3469 -1.2898 -1.2898 -0.9547 -0.9547 -0.6250 -0.6250 -0.5917 -0.5917 -0.5543 -0.5543 5.8948 5.8948 10.8462 10.8462 11.0711 11.0711 11.7243 11.7243 12.9412 12.9412 k = 0.3468-0.2215-0.5929 ( 11272 PWs) bands (ev): -41.4046 -41.4046 -22.8220 -22.8220 -21.3914 -21.3914 -21.3608 -21.3608 -21.1325 -21.1325 -20.6157 -20.6157 -20.5663 -20.5663 -8.8732 -8.8732 -5.2418 -5.2418 -5.0570 -5.0570 -4.9107 -4.9107 -3.1028 -3.1028 -2.8948 -2.8948 -2.7426 -2.7426 -2.6311 -2.6311 -2.2523 -2.2523 -1.6075 -1.6075 -1.5725 -1.5725 -1.4822 -1.4822 -1.3545 -1.3545 -1.2971 -1.2971 -0.9523 -0.9523 -0.6282 -0.6282 -0.5947 -0.5947 -0.5540 -0.5540 5.9042 5.9042 10.8452 10.8452 11.0822 11.0822 11.7134 11.7134 12.9554 12.9554 k = 0.3546-0.2265-0.6064 ( 11260 PWs) bands (ev): -41.4046 -41.4046 -22.8208 -22.8208 -21.3884 -21.3884 -21.3631 -21.3631 -21.1352 -21.1352 -20.6182 -20.6182 -20.5637 -20.5637 -8.8693 -8.8693 -5.2375 -5.2375 -5.0532 -5.0532 -4.9152 -4.9152 -3.1087 -3.1087 -2.9109 -2.9109 -2.7386 -2.7386 -2.6136 -2.6136 -2.2345 -2.2345 -1.6239 -1.6239 -1.5791 -1.5791 -1.4794 -1.4794 -1.3568 -1.3568 -1.3041 -1.3041 -0.9499 -0.9499 -0.6315 -0.6315 -0.5980 -0.5980 -0.5533 -0.5533 5.9131 5.9131 10.8407 10.8407 11.0956 11.0956 11.7028 11.7028 12.9697 12.9697 k = 0.3625-0.2315-0.6198 ( 11260 PWs) bands (ev): -41.4046 -41.4046 -22.8199 -22.8199 -21.3855 -21.3855 -21.3651 -21.3651 -21.1378 -21.1378 -20.6207 -20.6207 -20.5611 -20.5611 -8.8658 -8.8658 -5.2335 -5.2335 -5.0502 -5.0502 -4.9191 -4.9191 -3.1155 -3.1155 -2.9314 -2.9314 -2.7271 -2.7271 -2.5945 -2.5945 -2.2175 -2.2175 -1.6435 -1.6435 -1.5874 -1.5874 -1.4803 -1.4803 -1.3527 -1.3527 -1.3105 -1.3105 -0.9475 -0.9475 -0.6349 -0.6349 -0.6017 -0.6017 -0.5522 -0.5522 5.9214 5.9214 10.8338 10.8338 11.1101 11.1101 11.6926 11.6926 12.9843 12.9843 k = 0.3704-0.2366-0.6333 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8192 -22.8192 -21.3828 -21.3828 -21.3665 -21.3665 -21.1404 -21.1404 -20.6233 -20.6233 -20.5584 -20.5584 -8.8627 -8.8627 -5.2299 -5.2299 -5.0482 -5.0482 -4.9221 -4.9221 -3.1230 -3.1230 -2.9542 -2.9542 -2.7104 -2.7104 -2.5740 -2.5740 -2.2012 -2.2012 -1.6649 -1.6649 -1.5976 -1.5976 -1.4856 -1.4856 -1.3441 -1.3441 -1.3150 -1.3150 -0.9451 -0.9451 -0.6386 -0.6386 -0.6056 -0.6056 -0.5507 -0.5507 5.9291 5.9291 10.8253 10.8253 11.1247 11.1247 11.6832 11.6832 12.9990 12.9990 k = 0.6296 0.0374-0.4432 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8192 -22.8192 -21.3828 -21.3828 -21.3667 -21.3667 -21.1403 -21.1403 -20.6235 -20.6235 -20.5582 -20.5582 -8.8627 -8.8627 -5.2297 -5.2297 -5.0483 -5.0483 -4.9222 -4.9222 -3.1231 -3.1231 -2.9541 -2.9541 -2.7103 -2.7103 -2.5741 -2.5741 -2.2011 -2.2011 -1.6649 -1.6649 -1.5980 -1.5980 -1.4857 -1.4857 -1.3441 -1.3441 -1.3149 -1.3149 -0.9447 -0.9447 -0.6389 -0.6389 -0.6056 -0.6056 -0.5505 -0.5505 5.9291 5.9291 10.8252 10.8252 11.1247 11.1247 11.6833 11.6833 12.9991 12.9991 k = 0.6220 0.0513-0.4432 ( 11256 PWs) bands (ev): -41.4046 -41.4046 -22.8186 -22.8186 -21.3809 -21.3809 -21.3671 -21.3671 -21.1427 -21.1427 -20.6260 -20.6260 -20.5556 -20.5556 -8.8599 -8.8599 -5.2265 -5.2265 -5.0473 -5.0473 -4.9242 -4.9242 -3.1308 -3.1308 -2.9769 -2.9769 -2.6906 -2.6906 -2.5531 -2.5531 -2.1862 -2.1862 -1.6867 -1.6867 -1.6096 -1.6096 -1.4939 -1.4939 -1.3381 -1.3381 -1.3125 -1.3125 -0.9423 -0.9423 -0.6425 -0.6425 -0.6094 -0.6094 -0.5489 -0.5489 5.9360 5.9360 10.8161 10.8161 11.1383 11.1383 11.6753 11.6753 13.0136 13.0136 k = 0.6144 0.0652-0.4432 ( 11260 PWs) bands (ev): -41.4046 -41.4046 -22.8183 -22.8183 -21.3803 -21.3803 -21.3661 -21.3661 -21.1451 -21.1451 -20.6285 -20.6285 -20.5530 -20.5530 -8.8574 -8.8574 -5.2237 -5.2237 -5.0472 -5.0472 -4.9252 -4.9252 -3.1390 -3.1390 -2.9995 -2.9995 -2.6684 -2.6684 -2.5310 -2.5310 -2.1721 -2.1721 -1.7094 -1.7094 -1.6229 -1.6229 -1.5037 -1.5037 -1.3398 -1.3398 -1.2998 -1.2998 -0.9398 -0.9398 -0.6463 -0.6463 -0.6134 -0.6134 -0.5471 -0.5471 5.9424 5.9424 10.8065 10.8065 11.1509 11.1509 11.6685 11.6685 13.0282 13.0282 k = 0.6067 0.0791-0.4432 ( 11260 PWs) bands (ev): -41.4046 -41.4046 -22.8180 -22.8180 -21.3808 -21.3808 -21.3638 -21.3638 -21.1474 -21.1474 -20.6310 -20.6310 -20.5505 -20.5505 -8.8552 -8.8552 -5.2213 -5.2213 -5.0479 -5.0479 -4.9252 -4.9252 -3.1473 -3.1473 -3.0215 -3.0215 -2.6445 -2.6445 -2.5079 -2.5079 -2.1589 -2.1589 -1.7329 -1.7329 -1.6376 -1.6376 -1.5138 -1.5138 -1.3448 -1.3448 -1.2825 -1.2825 -0.9374 -0.9374 -0.6502 -0.6502 -0.6173 -0.6173 -0.5452 -0.5452 5.9484 5.9484 10.7968 10.7968 11.1620 11.1620 11.6631 11.6631 13.0428 13.0428 k = 0.5991 0.0930-0.4432 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8178 -22.8178 -21.3820 -21.3820 -21.3608 -21.3608 -21.1497 -21.1497 -20.6334 -20.6334 -20.5481 -20.5481 -8.8533 -8.8533 -5.2193 -5.2193 -5.0492 -5.0492 -4.9243 -4.9243 -3.1557 -3.1557 -3.0426 -3.0426 -2.6193 -2.6193 -2.4840 -2.4840 -2.1464 -2.1464 -1.7571 -1.7571 -1.6538 -1.6538 -1.5238 -1.5238 -1.3506 -1.3506 -1.2638 -1.2638 -0.9350 -0.9350 -0.6543 -0.6543 -0.6211 -0.6211 -0.5432 -0.5432 5.9539 5.9539 10.7872 10.7872 11.1716 11.1716 11.6592 11.6592 13.0575 13.0575 k = 0.5915 0.1069-0.4432 ( 11270 PWs) bands (ev): -41.4046 -41.4046 -22.8178 -22.8178 -21.3834 -21.3834 -21.3575 -21.3575 -21.1518 -21.1518 -20.6358 -20.6358 -20.5458 -20.5458 -8.8516 -8.8516 -5.2177 -5.2177 -5.0511 -5.0511 -4.9226 -4.9226 -3.1641 -3.1641 -3.0624 -3.0624 -2.5933 -2.5933 -2.4593 -2.4593 -2.1348 -2.1348 -1.7820 -1.7820 -1.6714 -1.6714 -1.5331 -1.5331 -1.3563 -1.3563 -1.2450 -1.2450 -0.9326 -0.9326 -0.6584 -0.6584 -0.6249 -0.6249 -0.5412 -0.5412 5.9590 5.9590 10.7779 10.7779 11.1795 11.1795 11.6568 11.6568 13.0722 13.0722 k = 0.5839 0.1209-0.4432 ( 11270 PWs) bands (ev): -41.4046 -41.4046 -22.8178 -22.8178 -21.3848 -21.3848 -21.3540 -21.3540 -21.1538 -21.1538 -20.6381 -20.6381 -20.5436 -20.5436 -8.8501 -8.8501 -5.2164 -5.2164 -5.0533 -5.0533 -4.9204 -4.9204 -3.1723 -3.1723 -3.0809 -3.0809 -2.5668 -2.5668 -2.4340 -2.4340 -2.1240 -2.1240 -1.8075 -1.8075 -1.6900 -1.6900 -1.5416 -1.5416 -1.3619 -1.3619 -1.2266 -1.2266 -0.9302 -0.9302 -0.6627 -0.6627 -0.6285 -0.6285 -0.5392 -0.5392 5.9636 5.9636 10.7690 10.7690 11.1857 11.1857 11.6557 11.6557 13.0868 13.0868 k = 0.5762 0.1348-0.4432 ( 11272 PWs) bands (ev): -41.4046 -41.4046 -22.8179 -22.8179 -21.3862 -21.3862 -21.3507 -21.3507 -21.1557 -21.1557 -20.6402 -20.6402 -20.5415 -20.5415 -8.8488 -8.8488 -5.2155 -5.2155 -5.0556 -5.0556 -4.9178 -4.9178 -3.1804 -3.1804 -3.0978 -3.0978 -2.5401 -2.5401 -2.4080 -2.4080 -2.1141 -2.1141 -1.8335 -1.8335 -1.7095 -1.7095 -1.5493 -1.5493 -1.3672 -1.3672 -1.2089 -1.2089 -0.9278 -0.9278 -0.6669 -0.6669 -0.6320 -0.6320 -0.5373 -0.5373 5.9678 5.9678 10.7607 10.7607 11.1903 11.1903 11.6559 11.6559 13.1011 13.1011 k = 0.5686 0.1487-0.4432 ( 11272 PWs) bands (ev): -41.4046 -41.4046 -22.8180 -22.8180 -21.3876 -21.3876 -21.3474 -21.3474 -21.1574 -21.1574 -20.6422 -20.6422 -20.5396 -20.5396 -8.8477 -8.8477 -5.2150 -5.2150 -5.0579 -5.0579 -4.9150 -4.9150 -3.1881 -3.1881 -3.1131 -3.1131 -2.5137 -2.5137 -2.3815 -2.3815 -2.1050 -2.1050 -1.8600 -1.8600 -1.7295 -1.7295 -1.5561 -1.5561 -1.3721 -1.3721 -1.1922 -1.1922 -0.9256 -0.9256 -0.6712 -0.6712 -0.6352 -0.6352 -0.5354 -0.5354 5.9716 5.9716 10.7529 10.7529 11.1936 11.1936 11.6571 11.6571 13.1151 13.1151 k = 0.5610 0.1626-0.4432 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8182 -22.8182 -21.3889 -21.3889 -21.3443 -21.3443 -21.1589 -21.1589 -20.6441 -20.6441 -20.5379 -20.5379 -8.8467 -8.8467 -5.2147 -5.2147 -5.0601 -5.0601 -4.9122 -4.9122 -3.1955 -3.1955 -3.1267 -3.1267 -2.4879 -2.4879 -2.3545 -2.3545 -2.0967 -2.0967 -1.8868 -1.8868 -1.7497 -1.7497 -1.5620 -1.5620 -1.3766 -1.3766 -1.1767 -1.1767 -0.9234 -0.9234 -0.6753 -0.6753 -0.6382 -0.6382 -0.5337 -0.5337 5.9750 5.9750 10.7459 10.7459 11.1957 11.1957 11.6590 11.6590 13.1285 13.1285 k = 0.5534 0.1765-0.4432 ( 11278 PWs) bands (ev): -41.4046 -41.4046 -22.8184 -22.8184 -21.3900 -21.3900 -21.3415 -21.3415 -21.1603 -21.1603 -20.6458 -20.6458 -20.5363 -20.5363 -8.8459 -8.8459 -5.2146 -5.2146 -5.0621 -5.0621 -4.9094 -4.9094 -3.2025 -3.2025 -3.1386 -3.1386 -2.4632 -2.4632 -2.3272 -2.3272 -2.0893 -2.0893 -1.9139 -1.9139 -1.7697 -1.7697 -1.5672 -1.5672 -1.3807 -1.3807 -1.1625 -1.1625 -0.9214 -0.9214 -0.6793 -0.6793 -0.6409 -0.6409 -0.5321 -0.5321 5.9779 5.9779 10.7395 10.7395 11.1969 11.1969 11.6614 11.6614 13.1411 13.1411 k = 0.5457 0.1904-0.4432 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8185 -22.8185 -21.3910 -21.3910 -21.3389 -21.3389 -21.1616 -21.1616 -20.6473 -20.6473 -20.5349 -20.5349 -8.8453 -8.8453 -5.2147 -5.2147 -5.0638 -5.0638 -4.9067 -4.9067 -3.2089 -3.2089 -3.1487 -3.1487 -2.4400 -2.4400 -2.2996 -2.2996 -2.0828 -2.0828 -1.9411 -1.9411 -1.7890 -1.7890 -1.5717 -1.5717 -1.3842 -1.3842 -1.1499 -1.1499 -0.9195 -0.9195 -0.6830 -0.6830 -0.6434 -0.6434 -0.5307 -0.5307 5.9805 5.9805 10.7340 10.7340 11.1974 11.1974 11.6641 11.6641 13.1529 13.1529 k = 0.5381 0.2044-0.4432 ( 11252 PWs) bands (ev): -41.4046 -41.4046 -22.8187 -22.8187 -21.3919 -21.3919 -21.3367 -21.3367 -21.1626 -21.1626 -20.6486 -20.6486 -20.5337 -20.5337 -8.8448 -8.8448 -5.2149 -5.2149 -5.0653 -5.0653 -4.9044 -4.9044 -3.2146 -3.2146 -3.1571 -3.1571 -2.4189 -2.4189 -2.2719 -2.2719 -2.0775 -2.0775 -1.9680 -1.9680 -1.8071 -1.8071 -1.5754 -1.5754 -1.3872 -1.3872 -1.1390 -1.1390 -0.9178 -0.9178 -0.6864 -0.6864 -0.6455 -0.6455 -0.5295 -0.5295 5.9827 5.9827 10.7293 10.7293 11.1974 11.1974 11.6669 11.6669 13.1634 13.1634 k = 0.5305 0.2183-0.4432 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.8189 -22.8189 -21.3926 -21.3926 -21.3349 -21.3349 -21.1635 -21.1635 -20.6497 -20.6497 -20.5327 -20.5327 -8.8443 -8.8443 -5.2152 -5.2152 -5.0665 -5.0665 -4.9023 -4.9023 -3.2195 -3.2195 -3.1638 -3.1638 -2.4003 -2.4003 -2.2442 -2.2442 -2.0739 -2.0739 -1.9940 -1.9940 -1.8234 -1.8234 -1.5784 -1.5784 -1.3897 -1.3897 -1.1298 -1.1298 -0.9163 -0.9163 -0.6894 -0.6894 -0.6472 -0.6472 -0.5284 -0.5284 5.9844 5.9844 10.7253 10.7253 11.1971 11.1971 11.6694 11.6694 13.1725 13.1725 k = 0.5229 0.2322-0.4432 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.8190 -22.8190 -21.3931 -21.3931 -21.3334 -21.3334 -21.1642 -21.1642 -20.6506 -20.6506 -20.5320 -20.5320 -8.8440 -8.8440 -5.2155 -5.2155 -5.0675 -5.0675 -4.9007 -4.9007 -3.2235 -3.2235 -3.1690 -3.1690 -2.3850 -2.3850 -2.2167 -2.2167 -2.0736 -2.0736 -2.0174 -2.0174 -1.8373 -1.8373 -1.5807 -1.5807 -1.3917 -1.3917 -1.1226 -1.1226 -0.9151 -0.9151 -0.6918 -0.6918 -0.6486 -0.6486 -0.5276 -0.5276 5.9858 5.9858 10.7223 10.7223 11.1968 11.1968 11.6715 11.6715 13.1799 13.1799 k = 0.5152 0.2461-0.4432 ( 11252 PWs) bands (ev): -41.4046 -41.4046 -22.8191 -22.8191 -21.3935 -21.3935 -21.3323 -21.3323 -21.1646 -21.1646 -20.6512 -20.6512 -20.5314 -20.5314 -8.8438 -8.8438 -5.2157 -5.2157 -5.0681 -5.0681 -4.8995 -4.8995 -3.2265 -3.2265 -3.1726 -3.1726 -2.3736 -2.3736 -2.1902 -2.1902 -2.0800 -2.0800 -2.0341 -2.0341 -1.8479 -1.8479 -1.5824 -1.5824 -1.3931 -1.3931 -1.1173 -1.1173 -0.9143 -0.9143 -0.6935 -0.6935 -0.6496 -0.6496 -0.5270 -0.5270 5.9868 5.9868 10.7201 10.7201 11.1964 11.1964 11.6732 11.6732 13.1854 13.1854 k = 0.5076 0.2600-0.4432 ( 11248 PWs) bands (ev): -41.4046 -41.4046 -22.8191 -22.8191 -21.3938 -21.3938 -21.3317 -21.3317 -21.1649 -21.1649 -20.6516 -20.6516 -20.5311 -20.5311 -8.8437 -8.8437 -5.2159 -5.2159 -5.0685 -5.0685 -4.8987 -4.8987 -3.2283 -3.2283 -3.1747 -3.1747 -2.3665 -2.3665 -2.1665 -2.1665 -2.0942 -2.0942 -2.0414 -2.0414 -1.8547 -1.8547 -1.5834 -1.5834 -1.3939 -1.3939 -1.1141 -1.1141 -0.9137 -0.9137 -0.6946 -0.6946 -0.6502 -0.6502 -0.5267 -0.5267 5.9874 5.9874 10.7188 10.7188 11.1961 11.1961 11.6742 11.6742 13.1887 13.1887 k = 0.5000 0.2739-0.4432 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.8191 -22.8191 -21.3939 -21.3939 -21.3315 -21.3315 -21.1650 -21.1650 -20.6517 -20.6517 -20.5310 -20.5310 -8.8437 -8.8437 -5.2159 -5.2159 -5.0686 -5.0686 -4.8985 -4.8985 -3.2289 -3.2289 -3.1754 -3.1754 -2.3640 -2.3640 -2.1545 -2.1545 -2.1039 -2.1039 -2.0430 -2.0430 -1.8570 -1.8570 -1.5837 -1.5837 -1.3942 -1.3942 -1.1131 -1.1131 -0.9135 -0.9135 -0.6950 -0.6950 -0.6504 -0.6504 -0.5266 -0.5266 5.9876 5.9876 10.7183 10.7183 11.1961 11.1961 11.6746 11.6746 13.1899 13.1899 k = 0.5000 0.2739-0.4432 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.8191 -22.8191 -21.3939 -21.3939 -21.3315 -21.3315 -21.1650 -21.1650 -20.6517 -20.6517 -20.5310 -20.5310 -8.8437 -8.8437 -5.2159 -5.2159 -5.0686 -5.0686 -4.8985 -4.8985 -3.2289 -3.2289 -3.1754 -3.1754 -2.3640 -2.3640 -2.1545 -2.1545 -2.1039 -2.1039 -2.0430 -2.0430 -1.8570 -1.8570 -1.5837 -1.5837 -1.3942 -1.3942 -1.1131 -1.1131 -0.9135 -0.9135 -0.6950 -0.6950 -0.6504 -0.6504 -0.5266 -0.5266 5.9876 5.9876 10.7183 10.7183 11.1961 11.1961 11.6746 11.6746 13.1899 13.1899 k = 0.5086 0.2787-0.4305 ( 11250 PWs) bands (ev): -41.4046 -41.4046 -22.8192 -22.8192 -21.3938 -21.3938 -21.3313 -21.3313 -21.1652 -21.1652 -20.6516 -20.6516 -20.5311 -20.5311 -8.8437 -8.8437 -5.2156 -5.2156 -5.0687 -5.0687 -4.8986 -4.8986 -3.2283 -3.2283 -3.1747 -3.1747 -2.3654 -2.3654 -2.1606 -2.1606 -2.1013 -2.1013 -2.0408 -2.0408 -1.8556 -1.8556 -1.5829 -1.5829 -1.3941 -1.3941 -1.1130 -1.1130 -0.9149 -0.9149 -0.6949 -0.6949 -0.6503 -0.6503 -0.5267 -0.5267 5.9875 5.9875 10.7186 10.7186 11.1965 11.1965 11.6737 11.6737 13.1931 13.1931 k = 0.5173 0.2834-0.4179 ( 11254 PWs) bands (ev): -41.4046 -41.4046 -22.8193 -22.8193 -21.3938 -21.3938 -21.3310 -21.3310 -21.1655 -21.1655 -20.6511 -20.6511 -20.5314 -20.5314 -8.8439 -8.8439 -5.2147 -5.2147 -5.0690 -5.0690 -4.8991 -4.8991 -3.2265 -3.2265 -3.1726 -3.1726 -2.3695 -2.3695 -2.1751 -2.1751 -2.0976 -2.0976 -2.0340 -2.0340 -1.8514 -1.8514 -1.5804 -1.5804 -1.3936 -1.3936 -1.1129 -1.1129 -0.9188 -0.9188 -0.6944 -0.6944 -0.6499 -0.6499 -0.5272 -0.5272 5.9872 5.9872 10.7192 10.7192 11.1978 11.1978 11.6711 11.6711 13.2027 13.2027 k = 0.5259 0.2881-0.4052 ( 11260 PWs) bands (ev): -41.4046 -41.4046 -22.8194 -22.8194 -21.3937 -21.3937 -21.3304 -21.3304 -21.1662 -21.1662 -20.6504 -20.6504 -20.5320 -20.5320 -8.8442 -8.8442 -5.2133 -5.2133 -5.0693 -5.0693 -4.8999 -4.8999 -3.2237 -3.2237 -3.1690 -3.1690 -2.3762 -2.3762 -2.1935 -2.1935 -2.0973 -2.0973 -2.0224 -2.0224 -1.8447 -1.8447 -1.5763 -1.5763 -1.3929 -1.3929 -1.1126 -1.1126 -0.9254 -0.9254 -0.6937 -0.6937 -0.6493 -0.6493 -0.5281 -0.5281 5.9867 5.9867 10.7202 10.7202 11.2000 11.2000 11.6670 11.6670 13.2185 13.2185 k = 0.5346 0.2929-0.3925 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8196 -22.8196 -21.3936 -21.3936 -21.3296 -21.3296 -21.1670 -21.1670 -20.6494 -20.6494 -20.5328 -20.5328 -8.8447 -8.8447 -5.2114 -5.2114 -5.0697 -5.0697 -4.9010 -4.9010 -3.2200 -3.2200 -3.1637 -3.1637 -2.3852 -2.3852 -2.2137 -2.2137 -2.1008 -2.1008 -2.0075 -2.0075 -1.8356 -1.8356 -1.5707 -1.5707 -1.3918 -1.3918 -1.1123 -1.1123 -0.9343 -0.9343 -0.6928 -0.6928 -0.6485 -0.6485 -0.5293 -0.5293 5.9860 5.9860 10.7213 10.7213 11.2032 11.2032 11.6617 11.6617 13.2401 13.2401 k = 0.5432 0.2976-0.3799 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8199 -22.8199 -21.3935 -21.3935 -21.3286 -21.3286 -21.1680 -21.1680 -20.6481 -20.6481 -20.5339 -20.5339 -8.8452 -8.8452 -5.2091 -5.2091 -5.0701 -5.0701 -4.9023 -4.9023 -3.2155 -3.2155 -3.1568 -3.1568 -2.3964 -2.3964 -2.2351 -2.2351 -2.1072 -2.1072 -1.9908 -1.9908 -1.8245 -1.8245 -1.5638 -1.5638 -1.3905 -1.3905 -1.1119 -1.1119 -0.9454 -0.9454 -0.6916 -0.6916 -0.6477 -0.6477 -0.5308 -0.5308 5.9851 5.9851 10.7224 10.7224 11.2075 11.2075 11.6554 11.6554 13.2671 13.2671 k = 0.5518 0.3023-0.3672 ( 11258 PWs) bands (ev): -41.4046 -41.4046 -22.8202 -22.8202 -21.3933 -21.3933 -21.3274 -21.3274 -21.1693 -21.1693 -20.6466 -20.6466 -20.5351 -20.5351 -8.8460 -8.8460 -5.2065 -5.2065 -5.0703 -5.0703 -4.9040 -4.9040 -3.2103 -3.2103 -3.1481 -3.1481 -2.4094 -2.4094 -2.2573 -2.2573 -2.1157 -2.1157 -1.9733 -1.9733 -1.8115 -1.8115 -1.5556 -1.5556 -1.3890 -1.3890 -1.1115 -1.1115 -0.9586 -0.9586 -0.6902 -0.6902 -0.6468 -0.6468 -0.5326 -0.5326 5.9840 5.9840 10.7231 10.7231 11.2131 11.2131 11.6488 11.6488 13.2990 13.2990 k = 0.5605 0.3071-0.3545 ( 11264 PWs) bands (ev): -41.4046 -41.4046 -22.8206 -22.8206 -21.3932 -21.3932 -21.3259 -21.3259 -21.1707 -21.1707 -20.6449 -20.6449 -20.5366 -20.5366 -8.8468 -8.8468 -5.2039 -5.2039 -5.0702 -5.0702 -4.9060 -4.9060 -3.2047 -3.2047 -3.1375 -3.1375 -2.4239 -2.4239 -2.2801 -2.2801 -2.1256 -2.1256 -1.9555 -1.9555 -1.7970 -1.7970 -1.5463 -1.5463 -1.3872 -1.3872 -1.1111 -1.1111 -0.9735 -0.9735 -0.6887 -0.6887 -0.6460 -0.6460 -0.5348 -0.5348 5.9825 5.9825 10.7233 10.7233 11.2200 11.2200 11.6421 11.6421 13.3350 13.3350 k = 0.5691 0.3118-0.3418 ( 11272 PWs) bands (ev): -41.4046 -41.4046 -22.8211 -22.8211 -21.3930 -21.3930 -21.3243 -21.3243 -21.1722 -21.1722 -20.6429 -20.6429 -20.5382 -20.5382 -8.8479 -8.8479 -5.2014 -5.2014 -5.0696 -5.0696 -4.9082 -4.9082 -3.1987 -3.1987 -3.1250 -3.1250 -2.4396 -2.4396 -2.3036 -2.3036 -2.1366 -2.1366 -1.9378 -1.9378 -1.7812 -1.7812 -1.5360 -1.5360 -1.3851 -1.3851 -1.1108 -1.1108 -0.9899 -0.9899 -0.6871 -0.6871 -0.6453 -0.6453 -0.5372 -0.5372 5.9807 5.9807 10.7225 10.7225 11.2283 11.2283 11.6360 11.6360 13.3745 13.3745 k = 0.5778 0.3165-0.3292 ( 11270 PWs) bands (ev): -41.4046 -41.4046 -22.8216 -22.8216 -21.3927 -21.3927 -21.3225 -21.3225 -21.1738 -21.1738 -20.6408 -20.6408 -20.5400 -20.5400 -8.8491 -8.8491 -5.1992 -5.1992 -5.0684 -5.0684 -4.9107 -4.9107 -3.1925 -3.1925 -3.1105 -3.1105 -2.4562 -2.4562 -2.3276 -2.3276 -2.1486 -2.1486 -1.9202 -1.9202 -1.7643 -1.7643 -1.5250 -1.5250 -1.3829 -1.3829 -1.1106 -1.1106 -1.0076 -1.0076 -0.6853 -0.6853 -0.6447 -0.6447 -0.5399 -0.5399 5.9786 5.9786 10.7206 10.7206 11.2381 11.2381 11.6309 11.6309 13.4165 13.4165 k = 0.5864 0.3213-0.3165 ( 11264 PWs) bands (ev): -41.4046 -41.4046 -22.8223 -22.8223 -21.3925 -21.3925 -21.3204 -21.3204 -21.1755 -21.1755 -20.6385 -20.6385 -20.5420 -20.5420 -8.8506 -8.8506 -5.1976 -5.1976 -5.0664 -5.0664 -4.9135 -4.9135 -3.1860 -3.1860 -3.0942 -3.0942 -2.4734 -2.4734 -2.3521 -2.3521 -2.1613 -2.1613 -1.9027 -1.9027 -1.7467 -1.7467 -1.5132 -1.5132 -1.3804 -1.3804 -1.1109 -1.1109 -1.0261 -1.0261 -0.6835 -0.6835 -0.6442 -0.6442 -0.5428 -0.5428 5.9760 5.9760 10.7172 10.7172 11.2492 11.2492 11.6275 11.6275 13.4600 13.4600 k = 0.5950 0.3260-0.3038 ( 11261 PWs) bands (ev): -41.4046 -41.4046 -22.8231 -22.8231 -21.3922 -21.3922 -21.3183 -21.3183 -21.1772 -21.1772 -20.6361 -20.6361 -20.5441 -20.5441 -8.8522 -8.8522 -5.1967 -5.1967 -5.0634 -5.0634 -4.9165 -4.9165 -3.1794 -3.1794 -3.0761 -3.0761 -2.4909 -2.4909 -2.3769 -2.3769 -2.1747 -2.1747 -1.8855 -1.8855 -1.7285 -1.7285 -1.5009 -1.5009 -1.3778 -1.3778 -1.1122 -1.1122 -1.0446 -1.0446 -0.6816 -0.6816 -0.6439 -0.6439 -0.5460 -0.5460 5.9730 5.9730 10.7123 10.7123 11.2614 11.2614 11.6262 11.6262 13.5033 13.5033 k = 0.6037 0.3307-0.2911 ( 11264 PWs) bands (ev): -41.4046 -41.4046 -22.8240 -22.8240 -21.3919 -21.3919 -21.3160 -21.3160 -21.1788 -21.1788 -20.6336 -20.6336 -20.5464 -20.5464 -8.8541 -8.8541 -5.1967 -5.1967 -5.0594 -5.0594 -4.9196 -4.9196 -3.1726 -3.1726 -3.0564 -3.0564 -2.5084 -2.5084 -2.4021 -2.4021 -2.1886 -2.1886 -1.8684 -1.8684 -1.7100 -1.7100 -1.4881 -1.4881 -1.3751 -1.3751 -1.1155 -1.1155 -1.0619 -1.0619 -0.6797 -0.6797 -0.6437 -0.6437 -0.5493 -0.5493 5.9695 5.9695 10.7056 10.7056 11.2743 11.2743 11.6277 11.6277 13.5427 13.5427 k = 0.6123 0.3355-0.2785 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8250 -22.8250 -21.3916 -21.3916 -21.3135 -21.3135 -21.1805 -21.1805 -20.6309 -20.6309 -20.5488 -20.5488 -8.8563 -8.8563 -5.1976 -5.1976 -5.0544 -5.0544 -4.9230 -4.9230 -3.1657 -3.1657 -3.0351 -3.0351 -2.5258 -2.5258 -2.4275 -2.4275 -2.2031 -2.2031 -1.8514 -1.8514 -1.6915 -1.6915 -1.4750 -1.4750 -1.3723 -1.3723 -1.1232 -1.1232 -1.0755 -1.0755 -0.6779 -0.6779 -0.6436 -0.6436 -0.5526 -0.5526 5.9654 5.9654 10.6973 10.6973 11.2876 11.2876 11.6326 11.6326 13.5547 13.5547 k = 0.6210 0.3402-0.2658 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8262 -22.8262 -21.3912 -21.3912 -21.3110 -21.3110 -21.1820 -21.1820 -20.6283 -20.6283 -20.5512 -20.5512 -8.8586 -8.8586 -5.1995 -5.1995 -5.0485 -5.0485 -4.9265 -4.9265 -3.1588 -3.1588 -3.0125 -3.0125 -2.5427 -2.5427 -2.4530 -2.4530 -2.2181 -2.2181 -1.8344 -1.8344 -1.6731 -1.6731 -1.4616 -1.4616 -1.3694 -1.3694 -1.1371 -1.1371 -1.0834 -1.0834 -0.6761 -0.6761 -0.6436 -0.6436 -0.5561 -0.5561 5.9607 5.9607 10.6872 10.6872 11.3007 11.3007 11.6414 11.6414 13.5110 13.5110 k = 0.6296 0.3449-0.2531 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.8275 -22.8275 -21.3908 -21.3908 -21.3083 -21.3083 -21.1835 -21.1835 -20.6256 -20.6256 -20.5537 -20.5537 -8.8613 -8.8613 -5.2022 -5.2022 -5.0418 -5.0418 -4.9300 -4.9300 -3.1518 -3.1518 -2.9886 -2.9886 -2.5590 -2.5590 -2.4785 -2.4785 -2.2336 -2.2336 -1.8176 -1.8176 -1.6550 -1.6550 -1.4481 -1.4481 -1.3665 -1.3665 -1.1555 -1.1555 -1.0866 -1.0866 -0.6744 -0.6744 -0.6436 -0.6436 -0.5595 -0.5595 5.9554 5.9554 10.6755 10.6755 11.3130 11.3130 11.6547 11.6547 13.4538 13.4538 k = 0.6296 0.3449-0.2531 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.8275 -22.8275 -21.3908 -21.3908 -21.3083 -21.3083 -21.1835 -21.1835 -20.6256 -20.6256 -20.5537 -20.5537 -8.8613 -8.8613 -5.2022 -5.2022 -5.0418 -5.0418 -4.9300 -4.9300 -3.1518 -3.1518 -2.9886 -2.9886 -2.5590 -2.5590 -2.4785 -2.4785 -2.2336 -2.2336 -1.8176 -1.8176 -1.6550 -1.6550 -1.4481 -1.4481 -1.3665 -1.3665 -1.1555 -1.1555 -1.0866 -1.0866 -0.6744 -0.6744 -0.6436 -0.6436 -0.5595 -0.5595 5.9554 5.9554 10.6755 10.6755 11.3130 11.3130 11.6547 11.6547 13.4538 13.4538 k = 0.6251 0.3425-0.2378 ( 11269 PWs) bands (ev): -41.4046 -41.4046 -22.8291 -22.8291 -21.3868 -21.3868 -21.3065 -21.3065 -21.1877 -21.1877 -20.6238 -20.6238 -20.5551 -20.5551 -8.8627 -8.8627 -5.1970 -5.1970 -5.0402 -5.0402 -4.9351 -4.9351 -3.1452 -3.1452 -2.9711 -2.9711 -2.5707 -2.5707 -2.4936 -2.4936 -2.2484 -2.2484 -1.7837 -1.7837 -1.6512 -1.6512 -1.4494 -1.4494 -1.3737 -1.3737 -1.1662 -1.1662 -1.0882 -1.0882 -0.6755 -0.6755 -0.6441 -0.6441 -0.5646 -0.5646 5.9531 5.9531 10.6415 10.6415 11.3477 11.3477 11.6778 11.6778 13.4390 13.4390 k = 0.6207 0.3400-0.2226 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.8309 -22.8309 -21.3824 -21.3824 -21.3045 -21.3045 -21.1919 -21.1919 -20.6220 -20.6220 -20.5566 -20.5566 -8.8645 -8.8645 -5.1916 -5.1916 -5.0390 -5.0390 -4.9403 -4.9403 -3.1381 -3.1381 -2.9526 -2.9526 -2.5829 -2.5829 -2.5079 -2.5079 -2.2628 -2.2628 -1.7506 -1.7506 -1.6469 -1.6469 -1.4520 -1.4520 -1.3796 -1.3796 -1.1770 -1.1770 -1.0895 -1.0895 -0.6768 -0.6768 -0.6443 -0.6443 -0.5699 -0.5699 5.9496 5.9496 10.6060 10.6060 11.3825 11.3825 11.7036 11.7036 13.4194 13.4194 k = 0.6162 0.3376-0.2073 ( 11273 PWs) bands (ev): -41.4046 -41.4046 -22.8331 -22.8331 -21.3776 -21.3776 -21.3024 -21.3024 -21.1963 -21.1963 -20.6202 -20.6202 -20.5581 -20.5581 -8.8670 -8.8670 -5.1860 -5.1860 -5.0382 -5.0382 -4.9457 -4.9457 -3.1308 -3.1308 -2.9333 -2.9333 -2.5959 -2.5959 -2.5213 -2.5213 -2.2766 -2.2766 -1.7196 -1.7196 -1.6413 -1.6413 -1.4563 -1.4563 -1.3836 -1.3836 -1.1877 -1.1877 -1.0903 -1.0903 -0.6786 -0.6786 -0.6443 -0.6443 -0.5751 -0.5751 5.9450 5.9450 10.5694 10.5694 11.4172 11.4172 11.7320 11.7320 13.3951 13.3951 k = 0.6117 0.3351-0.1920 ( 11275 PWs) bands (ev): -41.4046 -41.4046 -22.8355 -22.8355 -21.3724 -21.3724 -21.3003 -21.3003 -21.2006 -21.2006 -20.6183 -20.6183 -20.5597 -20.5597 -8.8698 -8.8698 -5.1804 -5.1804 -5.0378 -5.0378 -4.9511 -4.9511 -3.1233 -3.1233 -2.9133 -2.9133 -2.6096 -2.6096 -2.5336 -2.5336 -2.2894 -2.2894 -1.6936 -1.6936 -1.6316 -1.6316 -1.4628 -1.4628 -1.3856 -1.3856 -1.1983 -1.1983 -1.0908 -1.0908 -0.6809 -0.6809 -0.6441 -0.6441 -0.5802 -0.5802 5.9391 5.9391 10.5320 10.5320 11.4518 11.4518 11.7628 11.7628 13.3666 13.3666 k = 0.6073 0.3327-0.1767 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.8381 -22.8381 -21.3670 -21.3670 -21.2980 -21.2980 -21.2050 -21.2050 -20.6164 -20.6164 -20.5614 -20.5614 -8.8732 -8.8732 -5.1747 -5.1747 -5.0378 -5.0378 -4.9566 -4.9566 -3.1156 -3.1156 -2.8929 -2.8929 -2.6242 -2.6242 -2.5448 -2.5448 -2.3011 -2.3011 -1.6770 -1.6770 -1.6139 -1.6139 -1.4711 -1.4711 -1.3856 -1.3856 -1.2088 -1.2088 -1.0908 -1.0908 -0.6839 -0.6839 -0.6436 -0.6436 -0.5851 -0.5851 5.9323 5.9323 10.4941 10.4941 11.4861 11.4861 11.7959 11.7959 13.3347 13.3347 k = 0.6028 0.3303-0.1614 ( 11275 PWs) bands (ev): -41.4046 -41.4046 -22.8410 -22.8410 -21.3613 -21.3613 -21.2957 -21.2957 -21.2093 -21.2093 -20.6146 -20.6146 -20.5630 -20.5630 -8.8769 -8.8769 -5.1690 -5.1690 -5.0380 -5.0380 -4.9620 -4.9620 -3.1079 -3.1079 -2.8724 -2.8724 -2.6395 -2.6395 -2.5545 -2.5545 -2.3116 -2.3116 -1.6698 -1.6698 -1.5885 -1.5885 -1.4809 -1.4809 -1.3838 -1.3838 -1.2190 -1.2190 -1.0903 -1.0903 -0.6875 -0.6875 -0.6430 -0.6430 -0.5897 -0.5897 5.9244 5.9244 10.4560 10.4560 11.5202 11.5202 11.8309 11.8309 13.3002 13.3002 k = 0.5983 0.3278-0.1461 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.8440 -22.8440 -21.3554 -21.3554 -21.2934 -21.2934 -21.2136 -21.2136 -20.6128 -20.6128 -20.5647 -20.5647 -8.8810 -8.8810 -5.1633 -5.1633 -5.0386 -5.0386 -4.9673 -4.9673 -3.1001 -3.1001 -2.8522 -2.8522 -2.6555 -2.6555 -2.5626 -2.5626 -2.3207 -2.3207 -1.6678 -1.6678 -1.5600 -1.5600 -1.4913 -1.4913 -1.3804 -1.3804 -1.2290 -1.2290 -1.0893 -1.0893 -0.6918 -0.6918 -0.6422 -0.6422 -0.5938 -0.5938 5.9157 5.9157 10.4177 10.4177 11.5542 11.5542 11.8676 11.8676 13.2637 13.2637 k = 0.5939 0.3254-0.1309 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.8471 -22.8471 -21.3493 -21.3493 -21.2909 -21.2909 -21.2178 -21.2178 -20.6110 -20.6110 -20.5664 -20.5664 -8.8854 -8.8854 -5.1577 -5.1577 -5.0393 -5.0393 -4.9724 -4.9724 -3.0922 -3.0922 -2.8329 -2.8329 -2.6718 -2.6718 -2.5689 -2.5689 -2.3286 -2.3286 -1.6689 -1.6689 -1.5325 -1.5325 -1.5009 -1.5009 -1.3757 -1.3757 -1.2387 -1.2387 -1.0878 -1.0878 -0.6970 -0.6970 -0.6413 -0.6413 -0.5975 -0.5975 5.9062 5.9062 10.3797 10.3797 11.5881 11.5881 11.9056 11.9056 13.2259 13.2259 k = 0.5894 0.3229-0.1156 ( 11275 PWs) bands (ev): -41.4046 -41.4046 -22.8504 -22.8504 -21.3431 -21.3431 -21.2885 -21.2885 -21.2220 -21.2220 -20.6092 -20.6092 -20.5682 -20.5682 -8.8900 -8.8900 -5.1522 -5.1522 -5.0402 -5.0402 -4.9774 -4.9774 -3.0845 -3.0845 -2.8154 -2.8154 -2.6877 -2.6877 -2.5731 -2.5731 -2.3352 -2.3352 -1.6722 -1.6722 -1.5205 -1.5205 -1.4962 -1.4962 -1.3694 -1.3694 -1.2478 -1.2478 -1.0857 -1.0857 -0.7029 -0.7029 -0.6404 -0.6404 -0.6007 -0.6007 5.8959 5.8959 10.3420 10.3420 11.6219 11.6219 11.9445 11.9445 13.1872 13.1872 k = 0.5849 0.3205-0.1003 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.8537 -22.8537 -21.3368 -21.3368 -21.2860 -21.2860 -21.2261 -21.2261 -20.6075 -20.6075 -20.5699 -20.5699 -8.8948 -8.8948 -5.1469 -5.1469 -5.0411 -5.0411 -4.9822 -4.9822 -3.0767 -3.0767 -2.8013 -2.8013 -2.7020 -2.7020 -2.5750 -2.5750 -2.3407 -2.3407 -1.6773 -1.6773 -1.5285 -1.5285 -1.4736 -1.4736 -1.3612 -1.3612 -1.2562 -1.2562 -1.0830 -1.0830 -0.7095 -0.7095 -0.6395 -0.6395 -0.6034 -0.6034 5.8852 5.8852 10.3050 10.3050 11.6559 11.6559 11.9840 11.9840 13.1478 13.1478 k = 0.5804 0.3180-0.0850 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.8571 -22.8571 -21.3305 -21.3305 -21.2835 -21.2835 -21.2300 -21.2300 -20.6059 -20.6059 -20.5716 -20.5716 -8.8998 -8.8998 -5.1420 -5.1420 -5.0420 -5.0420 -4.9867 -4.9867 -3.0691 -3.0691 -2.7932 -2.7932 -2.7122 -2.7122 -2.5742 -2.5742 -2.3450 -2.3450 -1.6842 -1.6842 -1.5381 -1.5381 -1.4523 -1.4523 -1.3509 -1.3509 -1.2633 -1.2633 -1.0798 -1.0798 -0.7168 -0.7168 -0.6386 -0.6386 -0.6056 -0.6056 5.8739 5.8739 10.2686 10.2686 11.6899 11.6899 12.0236 12.0236 13.1080 13.1080 k = 0.5760 0.3156-0.0697 ( 11272 PWs) bands (ev): -41.4046 -41.4046 -22.8605 -22.8605 -21.3243 -21.3243 -21.2810 -21.2810 -21.2338 -21.2338 -20.6044 -20.6044 -20.5734 -20.5734 -8.9049 -8.9049 -5.1374 -5.1374 -5.0427 -5.0427 -4.9910 -4.9910 -3.0615 -3.0615 -2.7940 -2.7940 -2.7160 -2.7160 -2.5703 -2.5703 -2.3484 -2.3484 -1.6930 -1.6930 -1.5472 -1.5472 -1.4351 -1.4351 -1.3392 -1.3392 -1.2676 -1.2676 -1.0761 -1.0761 -0.7247 -0.7247 -0.6378 -0.6378 -0.6074 -0.6074 5.8623 5.8623 10.2333 10.2333 11.7242 11.7242 12.0632 12.0632 13.0680 13.0680 k = 0.5715 0.3131-0.0544 ( 11280 PWs) bands (ev): -41.4046 -41.4046 -22.8638 -22.8638 -21.3182 -21.3182 -21.2786 -21.2786 -21.2375 -21.2375 -20.6029 -20.6029 -20.5750 -20.5750 -8.9100 -8.9100 -5.1332 -5.1332 -5.0433 -5.0433 -4.9950 -4.9950 -3.0541 -3.0541 -2.8030 -2.8030 -2.7142 -2.7142 -2.5630 -2.5630 -2.3509 -2.3509 -1.7034 -1.7034 -1.5554 -1.5554 -1.4223 -1.4223 -1.3293 -1.3293 -1.2663 -1.2663 -1.0720 -1.0720 -0.7331 -0.7331 -0.6371 -0.6371 -0.6088 -0.6088 5.8504 5.8504 10.1990 10.1990 11.7587 11.7587 12.1022 12.1022 13.0281 13.0281 k = 0.5670 0.3107-0.0392 ( 11289 PWs) bands (ev): -41.4046 -41.4046 -22.8671 -22.8671 -21.3122 -21.3122 -21.2762 -21.2762 -21.2409 -21.2409 -20.6015 -20.6015 -20.5767 -20.5767 -8.9151 -8.9151 -5.1294 -5.1294 -5.0436 -5.0436 -4.9988 -4.9988 -3.0469 -3.0469 -2.8170 -2.8170 -2.7101 -2.7101 -2.5524 -2.5524 -2.3526 -2.3526 -1.7154 -1.7154 -1.5626 -1.5626 -1.4130 -1.4130 -1.3251 -1.3251 -1.2564 -1.2564 -1.0675 -1.0675 -0.7418 -0.7418 -0.6366 -0.6366 -0.6099 -0.6099 5.8385 5.8385 10.1659 10.1659 11.7935 11.7935 12.1403 12.1403 12.9882 12.9882 k = 0.5626 0.3082-0.0239 ( 11297 PWs) bands (ev): -41.4046 -41.4046 -22.8704 -22.8704 -21.3064 -21.3064 -21.2738 -21.2738 -21.2442 -21.2442 -20.6002 -20.6002 -20.5783 -20.5783 -8.9201 -8.9201 -5.1262 -5.1262 -5.0437 -5.0437 -5.0023 -5.0023 -3.0399 -3.0399 -2.8331 -2.8331 -2.7061 -2.7061 -2.5388 -2.5388 -2.3536 -2.3536 -1.7287 -1.7287 -1.5689 -1.5689 -1.4062 -1.4062 -1.3267 -1.3267 -1.2389 -1.2389 -1.0626 -1.0626 -0.7508 -0.7508 -0.6361 -0.6361 -0.6108 -0.6108 5.8265 5.8265 10.1343 10.1343 11.8285 11.8285 12.1773 12.1773 12.9487 12.9487 k = 0.5581 0.3058-0.0086 ( 11289 PWs) bands (ev): -41.4046 -41.4046 -22.8735 -22.8735 -21.3009 -21.3009 -21.2715 -21.2715 -21.2472 -21.2472 -20.5990 -20.5990 -20.5799 -20.5799 -8.9251 -8.9251 -5.1236 -5.1236 -5.0434 -5.0434 -5.0054 -5.0054 -3.0331 -3.0331 -2.8498 -2.8498 -2.7032 -2.7032 -2.5229 -2.5229 -2.3540 -2.3540 -1.7430 -1.7430 -1.5744 -1.5744 -1.4012 -1.4012 -1.3314 -1.3314 -1.2175 -1.2175 -1.0575 -1.0575 -0.7600 -0.7600 -0.6358 -0.6358 -0.6115 -0.6115 5.8147 5.8147 10.1042 10.1042 11.8637 11.8637 12.2127 12.2127 12.9095 12.9095 k = 0.5536 0.3033 0.0067 ( 11289 PWs) bands (ev): -41.4046 -41.4046 -22.8765 -22.8765 -21.2958 -21.2958 -21.2693 -21.2693 -21.2499 -21.2499 -20.5978 -20.5978 -20.5813 -20.5813 -8.9298 -8.9298 -5.1215 -5.1215 -5.0428 -5.0428 -5.0083 -5.0083 -3.0266 -3.0266 -2.8665 -2.8665 -2.7013 -2.7013 -2.5052 -2.5052 -2.3540 -2.3540 -1.7580 -1.7580 -1.5792 -1.5792 -1.3972 -1.3972 -1.3372 -1.3372 -1.1947 -1.1947 -1.0523 -1.0523 -0.7694 -0.7694 -0.6357 -0.6357 -0.6120 -0.6120 5.8032 5.8032 10.0758 10.0758 11.8992 11.8992 12.2462 12.2462 12.8708 12.8708 k = 0.5492 0.3009 0.0220 ( 11302 PWs) bands (ev): -41.4046 -41.4046 -22.8794 -22.8794 -21.2911 -21.2911 -21.2671 -21.2671 -21.2523 -21.2523 -20.5968 -20.5968 -20.5828 -20.5828 -8.9344 -8.9344 -5.1199 -5.1199 -5.0420 -5.0420 -5.0109 -5.0109 -3.0205 -3.0205 -2.8826 -2.8826 -2.7003 -2.7003 -2.4866 -2.4866 -2.3536 -2.3536 -1.7734 -1.7734 -1.5836 -1.5836 -1.3941 -1.3941 -1.3434 -1.3434 -1.1716 -1.1716 -1.0469 -1.0469 -0.7787 -0.7787 -0.6357 -0.6357 -0.6124 -0.6124 5.7921 5.7921 10.0492 10.0492 11.9348 11.9348 12.2774 12.2774 12.8329 12.8329 k = 0.5447 0.2984 0.0373 ( 11299 PWs) bands (ev): -41.4046 -41.4046 -22.8821 -22.8821 -21.2869 -21.2869 -21.2651 -21.2651 -21.2542 -21.2542 -20.5958 -20.5958 -20.5841 -20.5841 -8.9388 -8.9388 -5.1188 -5.1188 -5.0409 -5.0409 -5.0131 -5.0131 -3.0147 -3.0147 -2.8978 -2.8978 -2.7000 -2.7000 -2.4676 -2.4676 -2.3529 -2.3529 -1.7889 -1.7889 -1.5876 -1.5876 -1.3916 -1.3916 -1.3495 -1.3495 -1.1491 -1.1491 -1.0415 -1.0415 -0.7881 -0.7881 -0.6358 -0.6358 -0.6127 -0.6127 5.7815 5.7815 10.0245 10.0245 11.9705 11.9705 12.3060 12.3060 12.7958 12.7958 k = 0.5402 0.2960 0.0525 ( 11307 PWs) bands (ev): -41.4046 -41.4046 -22.8846 -22.8846 -21.2833 -21.2833 -21.2633 -21.2633 -21.2556 -21.2556 -20.5950 -20.5950 -20.5853 -20.5853 -8.9428 -8.9428 -5.1181 -5.1181 -5.0399 -5.0399 -5.0149 -5.0149 -3.0094 -3.0094 -2.9120 -2.9120 -2.7001 -2.7001 -2.4487 -2.4487 -2.3520 -2.3520 -1.8042 -1.8042 -1.5912 -1.5912 -1.3895 -1.3895 -1.3552 -1.3552 -1.1275 -1.1275 -1.0362 -1.0362 -0.7973 -0.7973 -0.6360 -0.6360 -0.6130 -0.6130 5.7715 5.7715 10.0018 10.0018 12.0064 12.0064 12.3314 12.3314 12.7598 12.7598 k = 0.5358 0.2935 0.0678 ( 11314 PWs) bands (ev): -41.4046 -41.4046 -22.8869 -22.8869 -21.2805 -21.2805 -21.2618 -21.2618 -21.2562 -21.2562 -20.5942 -20.5942 -20.5865 -20.5865 -8.9465 -8.9465 -5.1177 -5.1177 -5.0389 -5.0389 -5.0163 -5.0163 -3.0047 -3.0047 -2.9249 -2.9249 -2.7004 -2.7004 -2.4304 -2.4304 -2.3509 -2.3509 -1.8190 -1.8190 -1.5946 -1.5946 -1.3877 -1.3877 -1.3604 -1.3604 -1.1073 -1.1073 -1.0310 -1.0310 -0.8064 -0.8064 -0.6363 -0.6363 -0.6132 -0.6132 5.7622 5.7622 9.9812 9.9812 12.0422 12.0422 12.3533 12.3533 12.7254 12.7254 k = 0.5313 0.2911 0.0831 ( 11314 PWs) bands (ev): -41.4046 -41.4046 -22.8889 -22.8889 -21.2785 -21.2785 -21.2607 -21.2607 -21.2560 -21.2560 -20.5936 -20.5936 -20.5875 -20.5875 -8.9499 -8.9499 -5.1175 -5.1175 -5.0380 -5.0380 -5.0173 -5.0173 -3.0007 -3.0007 -2.9362 -2.9362 -2.7010 -2.7010 -2.4130 -2.4130 -2.3498 -2.3498 -1.8332 -1.8332 -1.5977 -1.5977 -1.3863 -1.3863 -1.3651 -1.3651 -1.0886 -1.0886 -1.0259 -1.0259 -0.8151 -0.8151 -0.6366 -0.6366 -0.6134 -0.6134 5.7538 5.7538 9.9629 9.9629 12.0780 12.0780 12.3709 12.3709 12.6930 12.6930 k = 0.5268 0.2886 0.0984 ( 11317 PWs) bands (ev): -41.4046 -41.4046 -22.8907 -22.8907 -21.2773 -21.2773 -21.2600 -21.2600 -21.2550 -21.2550 -20.5930 -20.5930 -20.5884 -20.5884 -8.9529 -8.9529 -5.1175 -5.1175 -5.0374 -5.0374 -5.0179 -5.0179 -2.9975 -2.9975 -2.9459 -2.9459 -2.7015 -2.7015 -2.3969 -2.3969 -2.3486 -2.3486 -1.8463 -1.8463 -1.6006 -1.6006 -1.3852 -1.3852 -1.3691 -1.3691 -1.0718 -1.0718 -1.0209 -1.0209 -0.8235 -0.8235 -0.6370 -0.6370 -0.6136 -0.6136 5.7463 5.7463 9.9468 9.9468 12.1136 12.1136 12.3833 12.3833 12.6634 12.6634 k = 0.5223 0.2862 0.1137 ( 11301 PWs) bands (ev): -41.4046 -41.4046 -22.8923 -22.8923 -21.2767 -21.2767 -21.2594 -21.2594 -21.2537 -21.2537 -20.5925 -20.5925 -20.5892 -20.5892 -8.9554 -8.9554 -5.1176 -5.1176 -5.0369 -5.0369 -5.0181 -5.0181 -2.9953 -2.9953 -2.9536 -2.9536 -2.7021 -2.7021 -2.3826 -2.3826 -2.3474 -2.3474 -1.8582 -1.8582 -1.6031 -1.6031 -1.3843 -1.3843 -1.3724 -1.3724 -1.0572 -1.0572 -1.0160 -1.0160 -0.8314 -0.8314 -0.6373 -0.6373 -0.6138 -0.6138 5.7398 5.7398 9.9331 9.9331 12.1490 12.1490 12.3897 12.3897 12.6377 12.6377 k = 0.5179 0.2837 0.1290 ( 11295 PWs) bands (ev): -41.4046 -41.4046 -22.8936 -22.8936 -21.2765 -21.2765 -21.2588 -21.2588 -21.2524 -21.2524 -20.5921 -20.5921 -20.5898 -20.5898 -8.9576 -8.9576 -5.1177 -5.1177 -5.0367 -5.0367 -5.0181 -5.0181 -2.9941 -2.9941 -2.9593 -2.9593 -2.7026 -2.7026 -2.3705 -2.3705 -2.3461 -2.3461 -1.8684 -1.8684 -1.6053 -1.6053 -1.3838 -1.3838 -1.3749 -1.3749 -1.0454 -1.0454 -1.0112 -1.0112 -0.8385 -0.8385 -0.6376 -0.6376 -0.6139 -0.6139 5.7344 5.7344 9.9218 9.9218 12.1838 12.1838 12.3888 12.3888 12.6169 12.6169 k = 0.5134 0.2813 0.1442 ( 11304 PWs) bands (ev): -41.4046 -41.4046 -22.8946 -22.8946 -21.2766 -21.2766 -21.2582 -21.2582 -21.2512 -21.2512 -20.5918 -20.5918 -20.5903 -20.5903 -8.9593 -8.9593 -5.1179 -5.1179 -5.0366 -5.0366 -5.0179 -5.0179 -2.9940 -2.9940 -2.9630 -2.9630 -2.7031 -2.7031 -2.3610 -2.3610 -2.3446 -2.3446 -1.8768 -1.8768 -1.6070 -1.6070 -1.3837 -1.3837 -1.3767 -1.3767 -1.0364 -1.0364 -1.0064 -1.0064 -0.8446 -0.8446 -0.6379 -0.6379 -0.6141 -0.6141 5.7301 5.7301 9.9130 9.9130 12.2180 12.2180 12.3803 12.3803 12.6017 12.6017 k = 0.5089 0.2788 0.1595 ( 11308 PWs) bands (ev): -41.4046 -41.4046 -22.8953 -22.8953 -21.2767 -21.2767 -21.2577 -21.2577 -21.2504 -21.2504 -20.5916 -20.5916 -20.5907 -20.5907 -8.9605 -8.9605 -5.1180 -5.1180 -5.0366 -5.0366 -5.0177 -5.0177 -2.9946 -2.9946 -2.9651 -2.9651 -2.7034 -2.7034 -2.3547 -2.3547 -2.3428 -2.3428 -1.8830 -1.8830 -1.6083 -1.6083 -1.3839 -1.3839 -1.3776 -1.3776 -1.0305 -1.0305 -1.0020 -1.0020 -0.8494 -0.8494 -0.6381 -0.6381 -0.6142 -0.6142 5.7270 5.7270 9.9066 9.9066 12.2509 12.2509 12.3646 12.3646 12.5919 12.5919 k = 0.5045 0.2764 0.1748 ( 11306 PWs) bands (ev): -41.4046 -41.4046 -22.8957 -22.8957 -21.2768 -21.2768 -21.2575 -21.2575 -21.2498 -21.2498 -20.5915 -20.5915 -20.5909 -20.5909 -8.9612 -8.9612 -5.1181 -5.1181 -5.0367 -5.0367 -5.0176 -5.0176 -2.9951 -2.9951 -2.9660 -2.9660 -2.7036 -2.7036 -2.3516 -2.3516 -2.3410 -2.3410 -1.8869 -1.8869 -1.6091 -1.6091 -1.3841 -1.3841 -1.3781 -1.3781 -1.0272 -1.0272 -0.9990 -0.9990 -0.8524 -0.8524 -0.6383 -0.6383 -0.6142 -0.6142 5.7251 5.7251 9.9028 9.9028 12.2816 12.2816 12.3437 12.3437 12.5867 12.5867 k = 0.5000 0.2739 0.1901 ( 11318 PWs) bands (ev): -41.4046 -41.4046 -22.8959 -22.8959 -21.2768 -21.2768 -21.2574 -21.2574 -21.2496 -21.2496 -20.5915 -20.5915 -20.5910 -20.5910 -8.9614 -8.9614 -5.1181 -5.1181 -5.0367 -5.0367 -5.0175 -5.0175 -2.9954 -2.9954 -2.9663 -2.9663 -2.7037 -2.7037 -2.3507 -2.3507 -2.3402 -2.3402 -1.8882 -1.8882 -1.6094 -1.6094 -1.3842 -1.3842 -1.3782 -1.3782 -1.0262 -1.0262 -0.9978 -0.9978 -0.8535 -0.8535 -0.6383 -0.6383 -0.6142 -0.6142 5.7245 5.7245 9.9015 9.9015 12.3014 12.3014 12.3270 12.3270 12.5850 12.5850 k = 0.5000-0.3193-0.2216 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.8571 -22.8571 -21.4490 -21.4490 -21.2747 -21.2747 -21.0982 -21.0982 -20.6173 -20.6173 -20.5732 -20.5732 -8.9627 -8.9627 -5.4285 -5.4285 -5.0031 -5.0031 -4.8119 -4.8119 -3.2495 -3.2495 -2.8455 -2.8455 -2.6352 -2.6352 -2.4332 -2.4332 -2.2336 -2.2336 -2.0501 -2.0501 -1.6435 -1.6435 -1.4783 -1.4783 -1.1891 -1.1891 -0.9844 -0.9844 -0.9058 -0.9058 -0.6399 -0.6399 -0.6067 -0.6067 -0.5115 -0.5115 5.7235 5.7235 10.5942 10.5942 11.5239 11.5239 11.8892 11.8892 12.0648 12.0648 k = 0.5100-0.3088-0.2143 ( 11267 PWs) bands (ev): -41.4046 -41.4046 -22.8570 -22.8570 -21.4489 -21.4489 -21.2747 -21.2747 -21.0984 -21.0984 -20.6173 -20.6173 -20.5732 -20.5732 -8.9624 -8.9624 -5.4280 -5.4280 -5.0031 -5.0031 -4.8123 -4.8123 -3.2491 -3.2491 -2.8455 -2.8455 -2.6352 -2.6352 -2.4340 -2.4340 -2.2340 -2.2340 -2.0493 -2.0493 -1.6429 -1.6429 -1.4778 -1.4778 -1.1892 -1.1892 -0.9852 -0.9852 -0.9067 -0.9067 -0.6399 -0.6399 -0.6068 -0.6068 -0.5117 -0.5117 5.7242 5.7242 10.5953 10.5953 11.5200 11.5200 11.8867 11.8867 12.0718 12.0718 k = 0.5199-0.2983-0.2070 ( 11263 PWs) bands (ev): -41.4046 -41.4046 -22.8567 -22.8567 -21.4486 -21.4486 -21.2750 -21.2750 -21.0991 -21.0991 -20.6171 -20.6171 -20.5732 -20.5732 -8.9616 -8.9616 -5.4265 -5.4265 -5.0029 -5.0029 -4.8135 -4.8135 -3.2478 -3.2478 -2.8455 -2.8455 -2.6350 -2.6350 -2.4366 -2.4366 -2.2354 -2.2354 -2.0469 -2.0469 -1.6412 -1.6412 -1.4764 -1.4764 -1.1896 -1.1896 -0.9875 -0.9875 -0.9095 -0.9095 -0.6399 -0.6399 -0.6071 -0.6071 -0.5121 -0.5121 5.7261 5.7261 10.5985 10.5985 11.5088 11.5088 11.8800 11.8800 12.0914 12.0914 k = 0.5299-0.2877-0.1997 ( 11273 PWs) bands (ev): -41.4046 -41.4046 -22.8563 -22.8563 -21.4480 -21.4480 -21.2754 -21.2754 -21.1002 -21.1002 -20.6169 -20.6169 -20.5732 -20.5732 -8.9602 -8.9602 -5.4241 -5.4241 -5.0026 -5.0026 -4.8155 -4.8155 -3.2456 -3.2456 -2.8456 -2.8456 -2.6348 -2.6348 -2.4409 -2.4409 -2.2375 -2.2375 -2.0431 -2.0431 -1.6385 -1.6385 -1.4741 -1.4741 -1.1904 -1.1904 -0.9912 -0.9912 -0.9140 -0.9140 -0.6399 -0.6399 -0.6076 -0.6076 -0.5128 -0.5128 5.7293 5.7293 10.6038 10.6038 11.4911 11.4911 11.8710 11.8710 12.1208 12.1208 k = 0.5399-0.2772-0.1924 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8557 -22.8557 -21.4472 -21.4472 -21.2759 -21.2759 -21.1018 -21.1018 -20.6166 -20.6166 -20.5732 -20.5732 -8.9583 -8.9583 -5.4207 -5.4207 -5.0022 -5.0022 -4.8183 -4.8183 -3.2426 -3.2426 -2.8458 -2.8458 -2.6344 -2.6344 -2.4467 -2.4467 -2.2401 -2.2401 -2.0381 -2.0381 -1.6350 -1.6350 -1.4707 -1.4707 -1.1914 -1.1914 -0.9965 -0.9965 -0.9203 -0.9203 -0.6400 -0.6400 -0.6083 -0.6083 -0.5137 -0.5137 5.7338 5.7338 10.6113 10.6113 11.4684 11.4684 11.8610 11.8610 12.1575 12.1575 k = 0.5498-0.2667-0.1851 ( 11262 PWs) bands (ev): -41.4046 -41.4046 -22.8549 -22.8549 -21.4461 -21.4461 -21.2766 -21.2766 -21.1038 -21.1038 -20.6162 -20.6162 -20.5732 -20.5732 -8.9558 -8.9558 -5.4164 -5.4164 -5.0016 -5.0016 -4.8218 -4.8218 -3.2387 -3.2387 -2.8461 -2.8461 -2.6338 -2.6338 -2.4539 -2.4539 -2.2431 -2.2431 -2.0320 -2.0320 -1.6307 -1.6307 -1.4663 -1.4663 -1.1928 -1.1928 -1.0033 -1.0033 -0.9281 -0.9281 -0.6400 -0.6400 -0.6092 -0.6092 -0.5150 -0.5150 5.7394 5.7394 10.6207 10.6207 11.4419 11.4419 11.8507 11.8507 12.1996 12.1996 k = 0.5598-0.2561-0.1777 ( 11262 PWs) bands (ev): -41.4046 -41.4046 -22.8540 -22.8540 -21.4449 -21.4449 -21.2775 -21.2775 -21.1062 -21.1062 -20.6158 -20.6158 -20.5731 -20.5731 -8.9529 -8.9529 -5.4112 -5.4112 -5.0010 -5.0010 -4.8261 -4.8261 -3.2342 -3.2342 -2.8466 -2.8466 -2.6331 -2.6331 -2.4624 -2.4624 -2.2461 -2.2461 -2.0252 -2.0252 -1.6259 -1.6259 -1.4608 -1.4608 -1.1945 -1.1945 -1.0117 -1.0117 -0.9372 -0.9372 -0.6402 -0.6402 -0.6102 -0.6102 -0.5164 -0.5164 5.7462 5.7462 10.6320 10.6320 11.4128 11.4128 11.8401 11.8401 12.2459 12.2459 k = 0.5698-0.2456-0.1704 ( 11265 PWs) bands (ev): -41.4046 -41.4046 -22.8529 -22.8529 -21.4434 -21.4434 -21.2785 -21.2785 -21.1090 -21.1090 -20.6154 -20.6154 -20.5731 -20.5731 -8.9495 -8.9495 -5.4052 -5.4052 -5.0004 -5.0004 -4.8310 -4.8310 -3.2290 -3.2290 -2.8472 -2.8472 -2.6322 -2.6322 -2.4719 -2.4719 -2.2491 -2.2491 -2.0177 -2.0177 -1.6208 -1.6208 -1.4541 -1.4541 -1.1966 -1.1966 -1.0218 -1.0218 -0.9475 -0.9475 -0.6404 -0.6404 -0.6115 -0.6115 -0.5182 -0.5182 5.7541 5.7541 10.6450 10.6450 11.3823 11.3823 11.8293 11.8293 12.2955 12.2955 k = 0.5798-0.2351-0.1631 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8517 -22.8517 -21.4417 -21.4417 -21.2796 -21.2796 -21.1122 -21.1122 -20.6149 -20.6149 -20.5729 -20.5729 -8.9457 -8.9457 -5.3982 -5.3982 -4.9997 -4.9997 -4.8365 -4.8365 -3.2233 -3.2233 -2.8482 -2.8482 -2.6310 -2.6310 -2.4821 -2.4821 -2.2519 -2.2519 -2.0097 -2.0097 -1.6157 -1.6157 -1.4461 -1.4461 -1.1992 -1.1992 -1.0336 -1.0336 -0.9585 -0.9585 -0.6407 -0.6407 -0.6129 -0.6129 -0.5201 -0.5201 5.7629 5.7629 10.6597 10.6597 11.3510 11.3510 11.8182 11.8182 12.3478 12.3478 k = 0.5897-0.2245-0.1558 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8504 -22.8504 -21.4398 -21.4398 -21.2808 -21.2808 -21.1156 -21.1156 -20.6145 -20.6145 -20.5728 -20.5728 -8.9414 -8.9414 -5.3905 -5.3905 -4.9990 -4.9990 -4.8426 -4.8426 -3.2171 -3.2171 -2.8496 -2.8496 -2.6295 -2.6295 -2.4928 -2.4928 -2.2545 -2.2545 -2.0012 -2.0012 -1.6107 -1.6107 -1.4370 -1.4370 -1.2022 -1.2022 -1.0473 -1.0473 -0.9700 -0.9700 -0.6411 -0.6411 -0.6144 -0.6144 -0.5223 -0.5223 5.7726 5.7726 10.6756 10.6756 11.3198 11.3198 11.8068 11.8068 12.4024 12.4024 k = 0.5997-0.2140-0.1485 ( 11267 PWs) bands (ev): -41.4046 -41.4046 -22.8490 -22.8490 -21.4377 -21.4377 -21.2821 -21.2821 -21.1194 -21.1194 -20.6141 -20.6141 -20.5725 -20.5725 -8.9369 -8.9369 -5.3820 -5.3820 -4.9982 -4.9982 -4.8492 -4.8492 -3.2105 -3.2105 -2.8515 -2.8515 -2.6277 -2.6277 -2.5036 -2.5036 -2.2566 -2.2566 -1.9925 -1.9925 -1.6060 -1.6060 -1.4267 -1.4267 -1.2057 -1.2057 -1.0628 -1.0628 -0.9817 -0.9817 -0.6417 -0.6417 -0.6160 -0.6160 -0.5247 -0.5247 5.7831 5.7831 10.6926 10.6926 11.2892 11.2892 11.7951 11.7951 12.4589 12.4589 k = 0.6097-0.2034-0.1412 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8474 -22.8474 -21.4355 -21.4355 -21.2836 -21.2836 -21.1234 -21.1234 -20.6138 -20.6138 -20.5722 -20.5722 -8.9320 -8.9320 -5.3727 -5.3727 -4.9976 -4.9976 -4.8561 -4.8561 -3.2036 -3.2036 -2.8540 -2.8540 -2.6255 -2.6255 -2.5143 -2.5143 -2.2584 -2.2584 -1.9835 -1.9835 -1.6018 -1.6018 -1.4153 -1.4153 -1.2097 -1.2097 -1.0802 -1.0802 -0.9933 -0.9933 -0.6425 -0.6425 -0.6178 -0.6178 -0.5272 -0.5272 5.7943 5.7943 10.7102 10.7102 11.2599 11.2599 11.7832 11.7832 12.5170 12.5170 k = 0.6196-0.1929-0.1339 ( 11282 PWs) bands (ev): -41.4046 -41.4046 -22.8458 -22.8458 -21.4331 -21.4331 -21.2851 -21.2851 -21.1276 -21.1276 -20.6135 -20.6135 -20.5717 -20.5717 -8.9269 -8.9269 -5.3628 -5.3628 -4.9971 -4.9971 -4.8634 -4.8634 -3.1967 -3.1967 -2.8572 -2.8572 -2.6229 -2.6229 -2.5244 -2.5244 -2.2598 -2.2598 -1.9742 -1.9742 -1.5981 -1.5981 -1.4029 -1.4029 -1.2143 -1.2143 -1.0995 -1.0995 -1.0046 -1.0046 -0.6435 -0.6435 -0.6196 -0.6196 -0.5298 -0.5298 5.8061 5.8061 10.7278 10.7278 11.2326 11.2326 11.7711 11.7711 12.5766 12.5766 k = 0.6296-0.1824-0.1266 ( 11274 PWs) bands (ev): -41.4046 -41.4046 -22.8442 -22.8442 -21.4305 -21.4305 -21.2867 -21.2867 -21.1320 -21.1320 -20.6134 -20.6134 -20.5711 -20.5711 -8.9215 -8.9215 -5.3523 -5.3523 -4.9967 -4.9967 -4.8709 -4.8709 -3.1898 -3.1898 -2.8612 -2.8612 -2.6199 -2.6199 -2.5337 -2.5337 -2.2607 -2.2607 -1.9647 -1.9647 -1.5951 -1.5951 -1.3897 -1.3897 -1.2195 -1.2195 -1.1204 -1.1204 -1.0154 -1.0154 -0.6446 -0.6446 -0.6215 -0.6215 -0.5326 -0.5326 5.8183 5.8183 10.7449 10.7449 11.2079 11.2079 11.7588 11.7588 12.6373 12.6373 k = 0.6396-0.1718-0.1192 ( 11286 PWs) bands (ev): -41.4046 -41.4046 -22.8425 -22.8425 -21.4278 -21.4278 -21.2883 -21.2883 -21.1364 -21.1364 -20.6135 -20.6135 -20.5704 -20.5704 -8.9161 -8.9161 -5.3413 -5.3413 -4.9966 -4.9966 -4.8785 -4.8785 -3.1830 -3.1830 -2.8661 -2.8661 -2.6165 -2.6165 -2.5418 -2.5418 -2.2611 -2.2611 -1.9550 -1.9550 -1.5928 -1.5928 -1.3761 -1.3761 -1.2252 -1.2252 -1.1427 -1.1427 -1.0255 -1.0255 -0.6460 -0.6460 -0.6234 -0.6234 -0.5353 -0.5353 5.8308 5.8308 10.7606 10.7606 11.1868 11.1868 11.7466 11.7466 12.6991 12.6991 k = 0.6495-0.1613-0.1119 ( 11286 PWs) bands (ev): -41.4046 -41.4046 -22.8408 -22.8408 -21.4250 -21.4250 -21.2900 -21.2900 -21.1410 -21.1410 -20.6137 -20.6137 -20.5696 -20.5696 -8.9105 -8.9105 -5.3297 -5.3297 -4.9969 -4.9969 -4.8860 -4.8860 -3.1765 -3.1765 -2.8721 -2.8721 -2.6127 -2.6127 -2.5483 -2.5483 -2.2611 -2.2611 -1.9450 -1.9450 -1.5913 -1.5913 -1.3622 -1.3622 -1.2315 -1.2315 -1.1661 -1.1661 -1.0350 -1.0350 -0.6476 -0.6476 -0.6254 -0.6254 -0.5381 -0.5381 5.8435 5.8435 10.7737 10.7737 11.1702 11.1702 11.7345 11.7345 12.7618 12.7618 k = 0.6595-0.1508-0.1046 ( 11283 PWs) bands (ev): -41.4046 -41.4046 -22.8391 -22.8391 -21.4221 -21.4221 -21.2918 -21.2918 -21.1456 -21.1456 -20.6140 -20.6140 -20.5686 -20.5686 -8.9050 -8.9050 -5.3179 -5.3179 -4.9976 -4.9976 -4.8934 -4.8934 -3.1705 -3.1705 -2.8790 -2.8790 -2.6088 -2.6088 -2.5529 -2.5529 -2.2606 -2.2606 -1.9348 -1.9348 -1.5905 -1.5905 -1.3489 -1.3489 -1.2384 -1.2384 -1.1899 -1.1899 -1.0437 -1.0437 -0.6494 -0.6494 -0.6273 -0.6273 -0.5408 -0.5408 5.8563 5.8563 10.7833 10.7833 11.1593 11.1593 11.7226 11.7226 12.8251 12.8251 k = 0.6695-0.1402-0.0973 ( 11280 PWs) bands (ev): -41.4046 -41.4046 -22.8375 -22.8375 -21.4190 -21.4190 -21.2936 -21.2936 -21.1502 -21.1502 -20.6146 -20.6146 -20.5675 -20.5675 -8.8994 -8.8994 -5.3057 -5.3057 -4.9989 -4.9989 -4.9003 -4.9003 -3.1650 -3.1650 -2.8871 -2.8871 -2.6047 -2.6047 -2.5552 -2.5552 -2.2596 -2.2596 -1.9244 -1.9244 -1.5906 -1.5906 -1.3368 -1.3368 -1.2464 -1.2464 -1.2125 -1.2125 -1.0517 -1.0517 -0.6514 -0.6514 -0.6293 -0.6293 -0.5435 -0.5435 5.8689 5.8689 10.7882 10.7882 11.1549 11.1549 11.7110 11.7110 12.8890 12.8890 k = 0.6795-0.1297-0.0900 ( 11276 PWs) bands (ev): -41.4046 -41.4046 -22.8359 -22.8359 -21.4159 -21.4159 -21.2953 -21.2953 -21.1547 -21.1547 -20.6153 -20.6153 -20.5663 -20.5663 -8.8940 -8.8940 -5.2933 -5.2933 -5.0009 -5.0009 -4.9067 -4.9067 -3.1602 -3.1602 -2.8961 -2.8961 -2.6008 -2.6008 -2.5549 -2.5549 -2.2581 -2.2581 -1.9137 -1.9137 -1.5916 -1.5916 -1.3276 -1.3276 -1.2585 -1.2585 -1.2292 -1.2292 -1.0588 -1.0588 -0.6535 -0.6535 -0.6313 -0.6313 -0.5460 -0.5460 5.8813 5.8813 10.7880 10.7880 11.1574 11.1574 11.7000 11.7000 12.9533 12.9533 k = 0.6894-0.1192-0.0827 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.8343 -22.8343 -21.4128 -21.4128 -21.2971 -21.2971 -21.1591 -21.1591 -20.6161 -20.6161 -20.5650 -20.5650 -8.8887 -8.8887 -5.2808 -5.2808 -5.0036 -5.0036 -4.9123 -4.9123 -3.1562 -3.1562 -2.9060 -2.9060 -2.5970 -2.5970 -2.5519 -2.5519 -2.2562 -2.2562 -1.9027 -1.9027 -1.5936 -1.5936 -1.3237 -1.3237 -1.2773 -1.2773 -1.2348 -1.2348 -1.0651 -1.0651 -0.6558 -0.6558 -0.6333 -0.6333 -0.5483 -0.5483 5.8933 5.8933 10.7827 10.7827 11.1665 11.1665 11.6896 11.6896 13.0177 13.0177 k = 0.6994-0.1086-0.0754 ( 11277 PWs) bands (ev): -41.4046 -41.4046 -22.8329 -22.8329 -21.4096 -21.4096 -21.2989 -21.2989 -21.1633 -21.1633 -20.6171 -20.6171 -20.5636 -20.5636 -8.8837 -8.8837 -5.2684 -5.2684 -5.0073 -5.0073 -4.9171 -4.9171 -3.1530 -3.1530 -2.9168 -2.9168 -2.5931 -2.5931 -2.5465 -2.5465 -2.2539 -2.2539 -1.8914 -1.8914 -1.5968 -1.5968 -1.3283 -1.3283 -1.2971 -1.2971 -1.2315 -1.2315 -1.0707 -1.0707 -0.6583 -0.6583 -0.6353 -0.6353 -0.5505 -0.5505 5.9048 5.9048 10.7732 10.7732 11.1811 11.1811 11.6800 11.6800 13.0822 13.0822 k = 0.7094-0.0981-0.0681 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8316 -22.8316 -21.4064 -21.4064 -21.3006 -21.3006 -21.1674 -21.1674 -20.6183 -20.6183 -20.5621 -20.5621 -8.8789 -8.8789 -5.2561 -5.2561 -5.0118 -5.0118 -4.9210 -4.9210 -3.1507 -3.1507 -2.9281 -2.9281 -2.5890 -2.5890 -2.5388 -2.5388 -2.2512 -2.2512 -1.8797 -1.8797 -1.6014 -1.6014 -1.3436 -1.3436 -1.3118 -1.3118 -1.2228 -1.2228 -1.0754 -1.0754 -0.6608 -0.6608 -0.6371 -0.6371 -0.5525 -0.5525 5.9156 5.9156 10.7603 10.7603 11.2001 11.2001 11.6714 11.6714 13.1464 13.1464 k = 0.7193-0.0876-0.0608 ( 11265 PWs) bands (ev): -41.4046 -41.4046 -22.8304 -22.8304 -21.4031 -21.4031 -21.3024 -21.3024 -21.1712 -21.1712 -20.6195 -20.6195 -20.5605 -20.5605 -8.8745 -8.8745 -5.2441 -5.2441 -5.0171 -5.0171 -4.9241 -4.9241 -3.1493 -3.1493 -2.9400 -2.9400 -2.5844 -2.5844 -2.5294 -2.5294 -2.2480 -2.2480 -1.8678 -1.8678 -1.6076 -1.6076 -1.3652 -1.3652 -1.3231 -1.3231 -1.2108 -1.2108 -1.0794 -1.0794 -0.6634 -0.6634 -0.6389 -0.6389 -0.5543 -0.5543 5.9257 5.9257 10.7450 10.7450 11.2221 11.2221 11.6641 11.6641 13.2102 13.2102 k = 0.7293-0.0770-0.0534 ( 11266 PWs) bands (ev): -41.4046 -41.4046 -22.8294 -22.8294 -21.3999 -21.3999 -21.3040 -21.3040 -21.1748 -21.1748 -20.6208 -20.6208 -20.5589 -20.5589 -8.8705 -8.8705 -5.2326 -5.2326 -5.0229 -5.0229 -4.9264 -4.9264 -3.1488 -3.1488 -2.9521 -2.9521 -2.5791 -2.5791 -2.5184 -2.5184 -2.2446 -2.2446 -1.8556 -1.8556 -1.6158 -1.6158 -1.3880 -1.3880 -1.3340 -1.3340 -1.1973 -1.1973 -1.0827 -1.0827 -0.6661 -0.6661 -0.6404 -0.6404 -0.5558 -0.5558 5.9348 5.9348 10.7283 10.7283 11.2455 11.2455 11.6585 11.6585 13.2732 13.2732 k = 0.7393-0.0665-0.0461 ( 11268 PWs) bands (ev): -41.4046 -41.4046 -22.8286 -22.8286 -21.3967 -21.3967 -21.3056 -21.3056 -21.1780 -21.1780 -20.6222 -20.6222 -20.5573 -20.5573 -8.8669 -8.8669 -5.2217 -5.2217 -5.0292 -5.0292 -4.9279 -4.9279 -3.1490 -3.1490 -2.9644 -2.9644 -2.5731 -2.5731 -2.5061 -2.5061 -2.2410 -2.2410 -1.8431 -1.8431 -1.6262 -1.6262 -1.4100 -1.4100 -1.3450 -1.3450 -1.1831 -1.1831 -1.0851 -1.0851 -0.6688 -0.6688 -0.6418 -0.6418 -0.5572 -0.5572 5.9429 5.9429 10.7108 10.7108 11.2693 11.2693 11.6547 11.6547 13.3352 13.3352 k = 0.7492-0.0559-0.0388 ( 11273 PWs) bands (ev): -41.4046 -41.4046 -22.8280 -22.8280 -21.3935 -21.3935 -21.3072 -21.3072 -21.1809 -21.1809 -20.6237 -20.6237 -20.5557 -20.5557 -8.8638 -8.8638 -5.2115 -5.2115 -5.0357 -5.0357 -4.9290 -4.9290 -3.1500 -3.1500 -2.9767 -2.9767 -2.5665 -2.5665 -2.4928 -2.4928 -2.2372 -2.2372 -1.8303 -1.8303 -1.6392 -1.6392 -1.4300 -1.4300 -1.3560 -1.3560 -1.1691 -1.1691 -1.0867 -1.0867 -0.6716 -0.6716 -0.6429 -0.6429 -0.5584 -0.5584 5.9498 5.9498 10.6931 10.6931 11.2921 11.2921 11.6534 11.6534 13.3956 13.3956 k = 0.7592-0.0454-0.0315 ( 11271 PWs) bands (ev): -41.4046 -41.4046 -22.8276 -22.8276 -21.3904 -21.3904 -21.3086 -21.3086 -21.1835 -21.1835 -20.6251 -20.6251 -20.5541 -20.5541 -8.8613 -8.8613 -5.2024 -5.2024 -5.0420 -5.0420 -4.9297 -4.9297 -3.1516 -3.1516 -2.9888 -2.9888 -2.5592 -2.5592 -2.4786 -2.4786 -2.2334 -2.2334 -1.8173 -1.8173 -1.6548 -1.6548 -1.4477 -1.4477 -1.3668 -1.3668 -1.1558 -1.1558 -1.0870 -1.0870 -0.6743 -0.6743 -0.6437 -0.6437 -0.5595 -0.5595 5.9554 5.9554 10.6755 10.6755 11.3130 11.3130 11.6547 11.6547 13.4537 13.4537 Writing output data file LiAsF6.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 221.13s CPU 223.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 221.12s CPU 223.68s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.11s WALL ( 283 calls) cegterg : 198.84s CPU 200.41s WALL ( 289 calls) Called by sum_band: Called by *egterg: h_psi : 146.12s CPU 147.35s WALL ( 4841 calls) s_psi : 4.33s CPU 4.31s WALL ( 4841 calls) g_psi : 0.46s CPU 0.50s WALL ( 4269 calls) cdiaghg : 35.56s CPU 35.80s WALL ( 4552 calls) cegterg:over : 11.00s CPU 11.11s WALL ( 4269 calls) cegterg:upda : 10.03s CPU 10.31s WALL ( 4269 calls) cegterg:last : 6.06s CPU 6.14s WALL ( 855 calls) cdiaghg:chol : 2.02s CPU 2.09s WALL ( 4552 calls) cdiaghg:inve : 1.35s CPU 1.34s WALL ( 4552 calls) cdiaghg:para : 2.26s CPU 2.25s WALL ( 9104 calls) Called by h_psi: h_psi:vloc : 135.66s CPU 136.73s WALL ( 4841 calls) h_psi:vnl : 9.94s CPU 10.10s WALL ( 4841 calls) add_vuspsi : 4.17s CPU 4.29s WALL ( 4841 calls) General routines calbec : 5.74s CPU 5.80s WALL ( 4841 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 128.93s CPU 129.65s WALL ( 633520 calls) davcio : 0.29s CPU 0.52s WALL ( 566 calls) Parallel routines fft_scatter : 39.14s CPU 39.56s WALL ( 633535 calls) PWSCF : 4m10.77s CPU 4m32.08s WALL This run was terminated on: 13: 8:27 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=