Program PWSCF v.5.1.1 starts on 12Oct2015 at 7:17:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BPO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 22 6 889 385 61 Max 40 23 7 892 403 65 Sum 1905 1103 327 42753 18815 3007 bravais-lattice index = 14 lattice parameter (alat) = 8.5953 a.u. unit-cell volume = 432.0951 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.595268 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.534732 celldm(5)= -0.534732 celldm(6)= 0.069465 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.069465 0.997584 0.000000 ) a(3) = ( -0.534732 -0.498792 0.682105 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.069633 0.733025 ) b(2) = ( 0.000000 1.002421 0.733025 ) b(3) = ( 0.000000 0.000000 1.466049 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0143730), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0287461), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0431191), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0574921), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0718652), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0862382), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.1006112), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.1149842), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.1293573), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.1437303), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1581033), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1724764), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1868494), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.2012224), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.2155955), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.2299685), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.2443415), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.2587146), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.2730876), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.2874606), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.3018337), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.3162067), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.3305797), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.3449528), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.3593258), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.3736988), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.3880718), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.4024449), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.4168179), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.4311909), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.4455640), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.4599370), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.4743100), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.4886831), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.5030561), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.5174291), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.5318022), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.5461752), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.5605482), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.5749212), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.5892943), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.6036673), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.6180403), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.6324134), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.6467864), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.6611594), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.6755325), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.6899055), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.7042785), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.7186516), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.7330246), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.7330246), wk = 0.0026455 k( 54) = ( -0.0094576 0.0101390 0.7330246), wk = 0.0026455 k( 55) = ( -0.0189151 0.0202780 0.7330246), wk = 0.0026455 k( 56) = ( -0.0283726 0.0304170 0.7330246), wk = 0.0026455 k( 57) = ( -0.0378302 0.0405560 0.7330246), wk = 0.0026455 k( 58) = ( -0.0472878 0.0506950 0.7330246), wk = 0.0026455 k( 59) = ( -0.0567453 0.0608340 0.7330246), wk = 0.0026455 k( 60) = ( -0.0662029 0.0709731 0.7330246), wk = 0.0026455 k( 61) = ( -0.0756604 0.0811121 0.7330246), wk = 0.0026455 k( 62) = ( -0.0851180 0.0912511 0.7330246), wk = 0.0026455 k( 63) = ( -0.0945755 0.1013901 0.7330246), wk = 0.0026455 k( 64) = ( -0.1040331 0.1115291 0.7330246), wk = 0.0026455 k( 65) = ( -0.1134906 0.1216681 0.7330246), wk = 0.0026455 k( 66) = ( -0.1229482 0.1318071 0.7330246), wk = 0.0026455 k( 67) = ( -0.1324057 0.1419461 0.7330246), wk = 0.0026455 k( 68) = ( -0.1418633 0.1520851 0.7330246), wk = 0.0026455 k( 69) = ( -0.1513208 0.1622241 0.7330246), wk = 0.0026455 k( 70) = ( -0.1607784 0.1723631 0.7330246), wk = 0.0026455 k( 71) = ( -0.1702359 0.1825021 0.7330246), wk = 0.0026455 k( 72) = ( -0.1796935 0.1926411 0.7330246), wk = 0.0026455 k( 73) = ( -0.1891510 0.2027801 0.7330246), wk = 0.0026455 k( 74) = ( -0.1986086 0.2129192 0.7330246), wk = 0.0026455 k( 75) = ( -0.2080661 0.2230582 0.7330246), wk = 0.0026455 k( 76) = ( -0.2175237 0.2331972 0.7330246), wk = 0.0026455 k( 77) = ( -0.2175237 0.2331972 0.7330246), wk = 0.0026455 k( 78) = ( -0.2242493 0.2404074 0.7231645), wk = 0.0026455 k( 79) = ( -0.2309749 0.2476176 0.7133044), wk = 0.0026455 k( 80) = ( -0.2377006 0.2548279 0.7034443), wk = 0.0026455 k( 81) = ( -0.2444262 0.2620381 0.6935842), wk = 0.0026455 k( 82) = ( -0.2511518 0.2692483 0.6837241), wk = 0.0026455 k( 83) = ( -0.2578774 0.2764586 0.6738640), wk = 0.0026455 k( 84) = ( -0.2646031 0.2836688 0.6640039), wk = 0.0026455 k( 85) = ( -0.2713287 0.2908791 0.6541438), wk = 0.0026455 k( 86) = ( -0.2780543 0.2980893 0.6442837), wk = 0.0026455 k( 87) = ( -0.2847799 0.3052995 0.6344236), wk = 0.0026455 k( 88) = ( -0.2915056 0.3125098 0.6245635), wk = 0.0026455 k( 89) = ( -0.2982312 0.3197200 0.6147034), wk = 0.0026455 k( 90) = ( -0.3049568 0.3269302 0.6048433), wk = 0.0026455 k( 91) = ( -0.3116824 0.3341405 0.5949832), wk = 0.0026455 k( 92) = ( -0.3184081 0.3413507 0.5851231), wk = 0.0026455 k( 93) = ( -0.3251337 0.3485609 0.5752630), wk = 0.0026455 k( 94) = ( -0.3318593 0.3557712 0.5654029), wk = 0.0026455 k( 95) = ( -0.3385849 0.3629814 0.5555428), wk = 0.0026455 k( 96) = ( -0.3453106 0.3701917 0.5456827), wk = 0.0026455 k( 97) = ( -0.3520362 0.3774019 0.5358226), wk = 0.0026455 k( 98) = ( -0.3587618 0.3846121 0.5259625), wk = 0.0026455 k( 99) = ( -0.3587618 0.3846121 0.5259625), wk = 0.0026455 k( 100) = ( -0.3518626 0.3772157 0.5158478), wk = 0.0026455 k( 101) = ( -0.3449633 0.3698194 0.5057332), wk = 0.0026455 k( 102) = ( -0.3380640 0.3624230 0.4956185), wk = 0.0026455 k( 103) = ( -0.3311648 0.3550266 0.4855038), wk = 0.0026455 k( 104) = ( -0.3242655 0.3476302 0.4753892), wk = 0.0026455 k( 105) = ( -0.3173662 0.3402338 0.4652745), wk = 0.0026455 k( 106) = ( -0.3104670 0.3328374 0.4551598), wk = 0.0026455 k( 107) = ( -0.3035677 0.3254410 0.4450452), wk = 0.0026455 k( 108) = ( -0.2966684 0.3180446 0.4349305), wk = 0.0026455 k( 109) = ( -0.2897692 0.3106483 0.4248159), wk = 0.0026455 k( 110) = ( -0.2828699 0.3032519 0.4147012), wk = 0.0026455 k( 111) = ( -0.2759706 0.2958555 0.4045865), wk = 0.0026455 k( 112) = ( -0.2690714 0.2884591 0.3944719), wk = 0.0026455 k( 113) = ( -0.2621721 0.2810627 0.3843572), wk = 0.0026455 k( 114) = ( -0.2552728 0.2736663 0.3742425), wk = 0.0026455 k( 115) = ( -0.2483736 0.2662699 0.3641279), wk = 0.0026455 k( 116) = ( -0.2414743 0.2588735 0.3540132), wk = 0.0026455 k( 117) = ( -0.2345751 0.2514772 0.3438986), wk = 0.0026455 k( 118) = ( -0.2276758 0.2440808 0.3337839), wk = 0.0026455 k( 119) = ( -0.2207765 0.2366844 0.3236692), wk = 0.0026455 k( 120) = ( -0.2138772 0.2292880 0.3135546), wk = 0.0026455 k( 121) = ( -0.2069780 0.2218916 0.3034399), wk = 0.0026455 k( 122) = ( -0.2000787 0.2144952 0.2933252), wk = 0.0026455 k( 123) = ( -0.1931795 0.2070988 0.2832106), wk = 0.0026455 k( 124) = ( -0.1862802 0.1997024 0.2730959), wk = 0.0026455 k( 125) = ( -0.1793809 0.1923061 0.2629813), wk = 0.0026455 k( 126) = ( -0.1724816 0.1849097 0.2528666), wk = 0.0026455 k( 127) = ( -0.1655824 0.1775133 0.2427519), wk = 0.0026455 k( 128) = ( -0.1586831 0.1701169 0.2326373), wk = 0.0026455 k( 129) = ( -0.1517838 0.1627205 0.2225226), wk = 0.0026455 k( 130) = ( -0.1448846 0.1553241 0.2124079), wk = 0.0026455 k( 131) = ( -0.1379853 0.1479277 0.2022933), wk = 0.0026455 k( 132) = ( -0.1310861 0.1405314 0.1921786), wk = 0.0026455 k( 133) = ( -0.1241868 0.1331350 0.1820639), wk = 0.0026455 k( 134) = ( -0.1172875 0.1257386 0.1719493), wk = 0.0026455 k( 135) = ( -0.1103883 0.1183422 0.1618346), wk = 0.0026455 k( 136) = ( -0.1034890 0.1109458 0.1517199), wk = 0.0026455 k( 137) = ( -0.0965897 0.1035494 0.1416053), wk = 0.0026455 k( 138) = ( -0.0896905 0.0961530 0.1314906), wk = 0.0026455 k( 139) = ( -0.0827912 0.0887566 0.1213760), wk = 0.0026455 k( 140) = ( -0.0758919 0.0813603 0.1112613), wk = 0.0026455 k( 141) = ( -0.0689927 0.0739639 0.1011466), wk = 0.0026455 k( 142) = ( -0.0620934 0.0665675 0.0910320), wk = 0.0026455 k( 143) = ( -0.0551941 0.0591711 0.0809173), wk = 0.0026455 k( 144) = ( -0.0482949 0.0517747 0.0708026), wk = 0.0026455 k( 145) = ( -0.0413956 0.0443783 0.0606880), wk = 0.0026455 k( 146) = ( -0.0344963 0.0369819 0.0505733), wk = 0.0026455 k( 147) = ( -0.0275971 0.0295855 0.0404586), wk = 0.0026455 k( 148) = ( -0.0206978 0.0221892 0.0303440), wk = 0.0026455 k( 149) = ( -0.0137985 0.0147928 0.0202293), wk = 0.0026455 k( 150) = ( -0.0068993 0.0073964 0.0101147), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 153) = ( 0.0104167 0.0097166 -0.0000000), wk = 0.0026455 k( 154) = ( 0.0208333 0.0194331 -0.0000000), wk = 0.0026455 k( 155) = ( 0.0312500 0.0291496 -0.0000000), wk = 0.0026455 k( 156) = ( 0.0416667 0.0388662 -0.0000000), wk = 0.0026455 k( 157) = ( 0.0520833 0.0485827 -0.0000000), wk = 0.0026455 k( 158) = ( 0.0625000 0.0582993 -0.0000000), wk = 0.0026455 k( 159) = ( 0.0729167 0.0680158 -0.0000000), wk = 0.0026455 k( 160) = ( 0.0833333 0.0777324 -0.0000000), wk = 0.0026455 k( 161) = ( 0.0937500 0.0874489 -0.0000000), wk = 0.0026455 k( 162) = ( 0.1041667 0.0971655 -0.0000000), wk = 0.0026455 k( 163) = ( 0.1145833 0.1068820 -0.0000000), wk = 0.0026455 k( 164) = ( 0.1250000 0.1165986 -0.0000000), wk = 0.0026455 k( 165) = ( 0.1354167 0.1263151 -0.0000000), wk = 0.0026455 k( 166) = ( 0.1458333 0.1360317 -0.0000000), wk = 0.0026455 k( 167) = ( 0.1562500 0.1457482 -0.0000000), wk = 0.0026455 k( 168) = ( 0.1666667 0.1554648 -0.0000000), wk = 0.0026455 k( 169) = ( 0.1770833 0.1651813 -0.0000000), wk = 0.0026455 k( 170) = ( 0.1875000 0.1748979 -0.0000000), wk = 0.0026455 k( 171) = ( 0.1979167 0.1846144 -0.0000000), wk = 0.0026455 k( 172) = ( 0.2083333 0.1943310 -0.0000000), wk = 0.0026455 k( 173) = ( 0.2187500 0.2040475 -0.0000000), wk = 0.0026455 k( 174) = ( 0.2291667 0.2137641 -0.0000000), wk = 0.0026455 k( 175) = ( 0.2395833 0.2234806 -0.0000000), wk = 0.0026455 k( 176) = ( 0.2500000 0.2331972 -0.0000000), wk = 0.0026455 k( 177) = ( 0.2604167 0.2429137 -0.0000000), wk = 0.0026455 k( 178) = ( 0.2708333 0.2526303 -0.0000000), wk = 0.0026455 k( 179) = ( 0.2812500 0.2623468 -0.0000000), wk = 0.0026455 k( 180) = ( 0.2916667 0.2720634 -0.0000000), wk = 0.0026455 k( 181) = ( 0.3020833 0.2817799 -0.0000000), wk = 0.0026455 k( 182) = ( 0.3125000 0.2914965 -0.0000000), wk = 0.0026455 k( 183) = ( 0.3229167 0.3012130 -0.0000000), wk = 0.0026455 k( 184) = ( 0.3333333 0.3109295 -0.0000000), wk = 0.0026455 k( 185) = ( 0.3437500 0.3206461 -0.0000000), wk = 0.0026455 k( 186) = ( 0.3541667 0.3303627 -0.0000000), wk = 0.0026455 k( 187) = ( 0.3645833 0.3400792 -0.0000000), wk = 0.0026455 k( 188) = ( 0.3750000 0.3497957 -0.0000000), wk = 0.0026455 k( 189) = ( 0.3854167 0.3595123 -0.0000000), wk = 0.0026455 k( 190) = ( 0.3958333 0.3692288 -0.0000000), wk = 0.0026455 k( 191) = ( 0.4062500 0.3789454 -0.0000000), wk = 0.0026455 k( 192) = ( 0.4166667 0.3886619 -0.0000000), wk = 0.0026455 k( 193) = ( 0.4270833 0.3983785 -0.0000000), wk = 0.0026455 k( 194) = ( 0.4375000 0.4080950 -0.0000000), wk = 0.0026455 k( 195) = ( 0.4479167 0.4178116 -0.0000000), wk = 0.0026455 k( 196) = ( 0.4583333 0.4275281 -0.0000000), wk = 0.0026455 k( 197) = ( 0.4687500 0.4372447 -0.0000000), wk = 0.0026455 k( 198) = ( 0.4791667 0.4469612 -0.0000000), wk = 0.0026455 k( 199) = ( 0.4895833 0.4566778 -0.0000000), wk = 0.0026455 k( 200) = ( 0.5000000 0.4663943 -0.0000000), wk = 0.0026455 k( 201) = ( 0.5000000 0.4663943 -0.0000000), wk = 0.0026455 k( 202) = ( 0.4932744 0.4736046 0.0098601), wk = 0.0026455 k( 203) = ( 0.4865487 0.4808148 0.0197202), wk = 0.0026455 k( 204) = ( 0.4798231 0.4880250 0.0295803), wk = 0.0026455 k( 205) = ( 0.4730975 0.4952353 0.0394404), wk = 0.0026455 k( 206) = ( 0.4663719 0.5024455 0.0493005), wk = 0.0026455 k( 207) = ( 0.4596462 0.5096557 0.0591606), wk = 0.0026455 k( 208) = ( 0.4529206 0.5168660 0.0690207), wk = 0.0026455 k( 209) = ( 0.4461950 0.5240762 0.0788808), wk = 0.0026455 k( 210) = ( 0.4394694 0.5312865 0.0887409), wk = 0.0026455 k( 211) = ( 0.4327437 0.5384967 0.0986010), wk = 0.0026455 k( 212) = ( 0.4260181 0.5457069 0.1084611), wk = 0.0026455 k( 213) = ( 0.4192925 0.5529172 0.1183212), wk = 0.0026455 k( 214) = ( 0.4125668 0.5601274 0.1281813), wk = 0.0026455 k( 215) = ( 0.4058412 0.5673376 0.1380414), wk = 0.0026455 k( 216) = ( 0.3991156 0.5745479 0.1479015), wk = 0.0026455 k( 217) = ( 0.3923900 0.5817581 0.1577616), wk = 0.0026455 k( 218) = ( 0.3856643 0.5889684 0.1676217), wk = 0.0026455 k( 219) = ( 0.3789387 0.5961786 0.1774818), wk = 0.0026455 k( 220) = ( 0.3722131 0.6033888 0.1873419), wk = 0.0026455 k( 221) = ( 0.3654875 0.6105991 0.1972020), wk = 0.0026455 k( 222) = ( 0.3587618 0.6178093 0.2070621), wk = 0.0026455 k( 223) = ( 0.3587618 0.6178093 0.2070621), wk = 0.0026455 k( 224) = ( 0.3463907 0.6137887 0.2125604), wk = 0.0026455 k( 225) = ( 0.3340196 0.6097680 0.2180587), wk = 0.0026455 k( 226) = ( 0.3216485 0.6057474 0.2235569), wk = 0.0026455 k( 227) = ( 0.3092774 0.6017267 0.2290552), wk = 0.0026455 k( 228) = ( 0.2969063 0.5977061 0.2345535), wk = 0.0026455 k( 229) = ( 0.2845353 0.5936855 0.2400518), wk = 0.0026455 k( 230) = ( 0.2721641 0.5896648 0.2455501), wk = 0.0026455 k( 231) = ( 0.2597931 0.5856442 0.2510484), wk = 0.0026455 k( 232) = ( 0.2474220 0.5816235 0.2565466), wk = 0.0026455 k( 233) = ( 0.2350509 0.5776029 0.2620449), wk = 0.0026455 k( 234) = ( 0.2226798 0.5735823 0.2675432), wk = 0.0026455 k( 235) = ( 0.2103087 0.5695616 0.2730415), wk = 0.0026455 k( 236) = ( 0.1979376 0.5655410 0.2785398), wk = 0.0026455 k( 237) = ( 0.1855665 0.5615203 0.2840381), wk = 0.0026455 k( 238) = ( 0.1731954 0.5574997 0.2895363), wk = 0.0026455 k( 239) = ( 0.1608243 0.5534790 0.2950346), wk = 0.0026455 k( 240) = ( 0.1484532 0.5494584 0.3005329), wk = 0.0026455 k( 241) = ( 0.1360821 0.5454378 0.3060312), wk = 0.0026455 k( 242) = ( 0.1237110 0.5414171 0.3115295), wk = 0.0026455 k( 243) = ( 0.1113399 0.5373965 0.3170277), wk = 0.0026455 k( 244) = ( 0.0989688 0.5333758 0.3225260), wk = 0.0026455 k( 245) = ( 0.0865977 0.5293552 0.3280243), wk = 0.0026455 k( 246) = ( 0.0742266 0.5253346 0.3335226), wk = 0.0026455 k( 247) = ( 0.0618555 0.5213139 0.3390209), wk = 0.0026455 k( 248) = ( 0.0494844 0.5172933 0.3445192), wk = 0.0026455 k( 249) = ( 0.0371133 0.5132726 0.3500174), wk = 0.0026455 k( 250) = ( 0.0247422 0.5092520 0.3555157), wk = 0.0026455 k( 251) = ( 0.0123711 0.5052314 0.3610140), wk = 0.0026455 k( 252) = ( 0.0000000 0.5012107 0.3665123), wk = 0.0026455 k( 253) = ( 0.0000000 0.5012107 0.3665123), wk = 0.0026455 k( 254) = ( 0.0069444 0.4937659 0.3766932), wk = 0.0026455 k( 255) = ( 0.0138889 0.4863211 0.3868741), wk = 0.0026455 k( 256) = ( 0.0208333 0.4788763 0.3970550), wk = 0.0026455 k( 257) = ( 0.0277778 0.4714314 0.4072359), wk = 0.0026455 k( 258) = ( 0.0347222 0.4639866 0.4174168), wk = 0.0026455 k( 259) = ( 0.0416667 0.4565418 0.4275977), wk = 0.0026455 k( 260) = ( 0.0486111 0.4490970 0.4377786), wk = 0.0026455 k( 261) = ( 0.0555556 0.4416521 0.4479595), wk = 0.0026455 k( 262) = ( 0.0625000 0.4342073 0.4581404), wk = 0.0026455 k( 263) = ( 0.0694444 0.4267625 0.4683213), wk = 0.0026455 k( 264) = ( 0.0763889 0.4193177 0.4785022), wk = 0.0026455 k( 265) = ( 0.0833333 0.4118729 0.4886831), wk = 0.0026455 k( 266) = ( 0.0902778 0.4044280 0.4988640), wk = 0.0026455 k( 267) = ( 0.0972222 0.3969832 0.5090449), wk = 0.0026455 k( 268) = ( 0.1041667 0.3895384 0.5192258), wk = 0.0026455 k( 269) = ( 0.1111111 0.3820936 0.5294066), wk = 0.0026455 k( 270) = ( 0.1180556 0.3746488 0.5395876), wk = 0.0026455 k( 271) = ( 0.1250000 0.3672039 0.5497684), wk = 0.0026455 k( 272) = ( 0.1319444 0.3597591 0.5599493), wk = 0.0026455 k( 273) = ( 0.1388889 0.3523143 0.5701302), wk = 0.0026455 k( 274) = ( 0.1458333 0.3448695 0.5803111), wk = 0.0026455 k( 275) = ( 0.1527778 0.3374247 0.5904920), wk = 0.0026455 k( 276) = ( 0.1597222 0.3299798 0.6006729), wk = 0.0026455 k( 277) = ( 0.1666667 0.3225350 0.6108538), wk = 0.0026455 k( 278) = ( 0.1736111 0.3150902 0.6210347), wk = 0.0026455 k( 279) = ( 0.1805556 0.3076454 0.6312156), wk = 0.0026455 k( 280) = ( 0.1875000 0.3002006 0.6413965), wk = 0.0026455 k( 281) = ( 0.1944444 0.2927557 0.6515774), wk = 0.0026455 k( 282) = ( 0.2013889 0.2853109 0.6617583), wk = 0.0026455 k( 283) = ( 0.2083333 0.2778661 0.6719392), wk = 0.0026455 k( 284) = ( 0.2152778 0.2704213 0.6821201), wk = 0.0026455 k( 285) = ( 0.2222222 0.2629765 0.6923010), wk = 0.0026455 k( 286) = ( 0.2291667 0.2555316 0.7024819), wk = 0.0026455 k( 287) = ( 0.2361111 0.2480868 0.7126628), wk = 0.0026455 k( 288) = ( 0.2430556 0.2406420 0.7228437), wk = 0.0026455 k( 289) = ( 0.2500000 0.2331972 0.7330246), wk = 0.0026455 k( 290) = ( 0.2500000 0.2331972 0.7330246), wk = 0.0026455 k( 291) = ( 0.2575758 0.2402637 0.7233610), wk = 0.0026455 k( 292) = ( 0.2651515 0.2473303 0.7136973), wk = 0.0026455 k( 293) = ( 0.2727273 0.2543969 0.7040336), wk = 0.0026455 k( 294) = ( 0.2803030 0.2614635 0.6943700), wk = 0.0026455 k( 295) = ( 0.2878788 0.2685301 0.6847064), wk = 0.0026455 k( 296) = ( 0.2954545 0.2755967 0.6750427), wk = 0.0026455 k( 297) = ( 0.3030303 0.2826632 0.6653790), wk = 0.0026455 k( 298) = ( 0.3106061 0.2897298 0.6557154), wk = 0.0026455 k( 299) = ( 0.3181818 0.2967964 0.6460518), wk = 0.0026455 k( 300) = ( 0.3257576 0.3038630 0.6363881), wk = 0.0026455 k( 301) = ( 0.3333333 0.3109295 0.6267245), wk = 0.0026455 k( 302) = ( 0.3409091 0.3179961 0.6170608), wk = 0.0026455 k( 303) = ( 0.3484849 0.3250627 0.6073972), wk = 0.0026455 k( 304) = ( 0.3560606 0.3321293 0.5977335), wk = 0.0026455 k( 305) = ( 0.3636364 0.3391959 0.5880699), wk = 0.0026455 k( 306) = ( 0.3712121 0.3462625 0.5784062), wk = 0.0026455 k( 307) = ( 0.3787879 0.3533290 0.5687426), wk = 0.0026455 k( 308) = ( 0.3863636 0.3603956 0.5590789), wk = 0.0026455 k( 309) = ( 0.3939394 0.3674622 0.5494153), wk = 0.0026455 k( 310) = ( 0.4015151 0.3745288 0.5397516), wk = 0.0026455 k( 311) = ( 0.4090909 0.3815954 0.5300880), wk = 0.0026455 k( 312) = ( 0.4166667 0.3886619 0.5204243), wk = 0.0026455 k( 313) = ( 0.4242424 0.3957285 0.5107607), wk = 0.0026455 k( 314) = ( 0.4318182 0.4027951 0.5010970), wk = 0.0026455 k( 315) = ( 0.4393939 0.4098617 0.4914334), wk = 0.0026455 k( 316) = ( 0.4469697 0.4169283 0.4817697), wk = 0.0026455 k( 317) = ( 0.4545455 0.4239948 0.4721061), wk = 0.0026455 k( 318) = ( 0.4621212 0.4310614 0.4624424), wk = 0.0026455 k( 319) = ( 0.4696970 0.4381280 0.4527788), wk = 0.0026455 k( 320) = ( 0.4772727 0.4451946 0.4431151), wk = 0.0026455 k( 321) = ( 0.4848485 0.4522612 0.4334515), wk = 0.0026455 k( 322) = ( 0.4924242 0.4593277 0.4237878), wk = 0.0026455 k( 323) = ( 0.5000000 0.4663943 0.4141242), wk = 0.0026455 k( 324) = ( 0.5000000 0.4663943 0.4141242), wk = 0.0026455 k( 325) = ( 0.5000000 0.4663943 0.3998441), wk = 0.0026455 k( 326) = ( 0.5000000 0.4663943 0.3855639), wk = 0.0026455 k( 327) = ( 0.5000000 0.4663943 0.3712838), wk = 0.0026455 k( 328) = ( 0.5000000 0.4663943 0.3570036), wk = 0.0026455 k( 329) = ( 0.5000000 0.4663943 0.3427235), wk = 0.0026455 k( 330) = ( 0.5000000 0.4663943 0.3284433), wk = 0.0026455 k( 331) = ( 0.5000000 0.4663943 0.3141632), wk = 0.0026455 k( 332) = ( 0.5000000 0.4663943 0.2998830), wk = 0.0026455 k( 333) = ( 0.5000000 0.4663943 0.2856029), wk = 0.0026455 k( 334) = ( 0.5000000 0.4663943 0.2713227), wk = 0.0026455 k( 335) = ( 0.5000000 0.4663943 0.2570426), wk = 0.0026455 k( 336) = ( 0.5000000 0.4663943 0.2427625), wk = 0.0026455 k( 337) = ( 0.5000000 0.4663943 0.2284823), wk = 0.0026455 k( 338) = ( 0.5000000 0.4663943 0.2142022), wk = 0.0026455 k( 339) = ( 0.5000000 0.4663943 0.1999220), wk = 0.0026455 k( 340) = ( 0.5000000 0.4663943 0.1856419), wk = 0.0026455 k( 341) = ( 0.5000000 0.4663943 0.1713617), wk = 0.0026455 k( 342) = ( 0.5000000 0.4663943 0.1570816), wk = 0.0026455 k( 343) = ( 0.5000000 0.4663943 0.1428014), wk = 0.0026455 k( 344) = ( 0.5000000 0.4663943 0.1285213), wk = 0.0026455 k( 345) = ( 0.5000000 0.4663943 0.1142411), wk = 0.0026455 k( 346) = ( 0.5000000 0.4663943 0.0999610), wk = 0.0026455 k( 347) = ( 0.5000000 0.4663943 0.0856809), wk = 0.0026455 k( 348) = ( 0.5000000 0.4663943 0.0714007), wk = 0.0026455 k( 349) = ( 0.5000000 0.4663943 0.0571206), wk = 0.0026455 k( 350) = ( 0.5000000 0.4663943 0.0428404), wk = 0.0026455 k( 351) = ( 0.5000000 0.4663943 0.0285603), wk = 0.0026455 k( 352) = ( 0.5000000 0.4663943 0.0142801), wk = 0.0026455 k( 353) = ( 0.5000000 0.4663943 -0.0000000), wk = 0.0026455 k( 354) = ( 0.0000000 0.0000000 0.7330246), wk = 0.0026455 k( 355) = ( 0.0104167 0.0097166 0.7330246), wk = 0.0026455 k( 356) = ( 0.0208333 0.0194331 0.7330246), wk = 0.0026455 k( 357) = ( 0.0312500 0.0291496 0.7330246), wk = 0.0026455 k( 358) = ( 0.0416667 0.0388662 0.7330246), wk = 0.0026455 k( 359) = ( 0.0520833 0.0485827 0.7330246), wk = 0.0026455 k( 360) = ( 0.0625000 0.0582993 0.7330246), wk = 0.0026455 k( 361) = ( 0.0729167 0.0680158 0.7330246), wk = 0.0026455 k( 362) = ( 0.0833333 0.0777324 0.7330246), wk = 0.0026455 k( 363) = ( 0.0937500 0.0874489 0.7330246), wk = 0.0026455 k( 364) = ( 0.1041667 0.0971655 0.7330246), wk = 0.0026455 k( 365) = ( 0.1145833 0.1068820 0.7330246), wk = 0.0026455 k( 366) = ( 0.1250000 0.1165986 0.7330246), wk = 0.0026455 k( 367) = ( 0.1354167 0.1263151 0.7330246), wk = 0.0026455 k( 368) = ( 0.1458333 0.1360317 0.7330246), wk = 0.0026455 k( 369) = ( 0.1562500 0.1457482 0.7330246), wk = 0.0026455 k( 370) = ( 0.1666667 0.1554648 0.7330246), wk = 0.0026455 k( 371) = ( 0.1770833 0.1651813 0.7330246), wk = 0.0026455 k( 372) = ( 0.1875000 0.1748979 0.7330246), wk = 0.0026455 k( 373) = ( 0.1979167 0.1846144 0.7330246), wk = 0.0026455 k( 374) = ( 0.2083333 0.1943310 0.7330246), wk = 0.0026455 k( 375) = ( 0.2187500 0.2040475 0.7330246), wk = 0.0026455 k( 376) = ( 0.2291667 0.2137641 0.7330246), wk = 0.0026455 k( 377) = ( 0.2395833 0.2234806 0.7330246), wk = 0.0026455 k( 378) = ( 0.2500000 0.2331972 0.7330246), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.1568628), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 54) = ( -0.0094576 0.0094576 0.5000000), wk = 0.0026455 k( 55) = ( -0.0189151 0.0189151 0.5000000), wk = 0.0026455 k( 56) = ( -0.0283726 0.0283727 0.5000000), wk = 0.0026455 k( 57) = ( -0.0378302 0.0378302 0.5000000), wk = 0.0026455 k( 58) = ( -0.0472878 0.0472878 0.5000000), wk = 0.0026455 k( 59) = ( -0.0567453 0.0567453 0.5000000), wk = 0.0026455 k( 60) = ( -0.0662029 0.0662029 0.5000000), wk = 0.0026455 k( 61) = ( -0.0756604 0.0756604 0.5000000), wk = 0.0026455 k( 62) = ( -0.0851180 0.0851180 0.5000000), wk = 0.0026455 k( 63) = ( -0.0945755 0.0945755 0.5000000), wk = 0.0026455 k( 64) = ( -0.1040331 0.1040331 0.5000000), wk = 0.0026455 k( 65) = ( -0.1134906 0.1134906 0.5000000), wk = 0.0026455 k( 66) = ( -0.1229482 0.1229482 0.5000000), wk = 0.0026455 k( 67) = ( -0.1324057 0.1324057 0.5000000), wk = 0.0026455 k( 68) = ( -0.1418633 0.1418633 0.5000000), wk = 0.0026455 k( 69) = ( -0.1513208 0.1513208 0.5000000), wk = 0.0026455 k( 70) = ( -0.1607784 0.1607784 0.5000000), wk = 0.0026455 k( 71) = ( -0.1702359 0.1702359 0.5000000), wk = 0.0026455 k( 72) = ( -0.1796935 0.1796935 0.5000000), wk = 0.0026455 k( 73) = ( -0.1891510 0.1891510 0.5000000), wk = 0.0026455 k( 74) = ( -0.1986086 0.1986086 0.5000000), wk = 0.0026455 k( 75) = ( -0.2080661 0.2080661 0.5000000), wk = 0.0026455 k( 76) = ( -0.2175237 0.2175237 0.5000000), wk = 0.0026455 k( 77) = ( -0.2175237 0.2175237 0.5000000), wk = 0.0026455 k( 78) = ( -0.2242493 0.2242493 0.4932744), wk = 0.0026455 k( 79) = ( -0.2309749 0.2309749 0.4865488), wk = 0.0026455 k( 80) = ( -0.2377006 0.2377006 0.4798231), wk = 0.0026455 k( 81) = ( -0.2444262 0.2444262 0.4730975), wk = 0.0026455 k( 82) = ( -0.2511518 0.2511518 0.4663719), wk = 0.0026455 k( 83) = ( -0.2578774 0.2578774 0.4596462), wk = 0.0026455 k( 84) = ( -0.2646031 0.2646031 0.4529206), wk = 0.0026455 k( 85) = ( -0.2713287 0.2713287 0.4461950), wk = 0.0026455 k( 86) = ( -0.2780543 0.2780543 0.4394694), wk = 0.0026455 k( 87) = ( -0.2847799 0.2847799 0.4327437), wk = 0.0026455 k( 88) = ( -0.2915056 0.2915056 0.4260181), wk = 0.0026455 k( 89) = ( -0.2982312 0.2982312 0.4192925), wk = 0.0026455 k( 90) = ( -0.3049568 0.3049568 0.4125669), wk = 0.0026455 k( 91) = ( -0.3116824 0.3116825 0.4058412), wk = 0.0026455 k( 92) = ( -0.3184081 0.3184081 0.3991156), wk = 0.0026455 k( 93) = ( -0.3251337 0.3251337 0.3923900), wk = 0.0026455 k( 94) = ( -0.3318593 0.3318593 0.3856643), wk = 0.0026455 k( 95) = ( -0.3385849 0.3385850 0.3789387), wk = 0.0026455 k( 96) = ( -0.3453106 0.3453106 0.3722131), wk = 0.0026455 k( 97) = ( -0.3520362 0.3520362 0.3654875), wk = 0.0026455 k( 98) = ( -0.3587618 0.3587618 0.3587618), wk = 0.0026455 k( 99) = ( -0.3587618 0.3587618 0.3587618), wk = 0.0026455 k( 100) = ( -0.3518626 0.3518626 0.3518626), wk = 0.0026455 k( 101) = ( -0.3449633 0.3449633 0.3449633), wk = 0.0026455 k( 102) = ( -0.3380640 0.3380640 0.3380640), wk = 0.0026455 k( 103) = ( -0.3311648 0.3311648 0.3311648), wk = 0.0026455 k( 104) = ( -0.3242655 0.3242655 0.3242655), wk = 0.0026455 k( 105) = ( -0.3173662 0.3173662 0.3173662), wk = 0.0026455 k( 106) = ( -0.3104670 0.3104670 0.3104670), wk = 0.0026455 k( 107) = ( -0.3035677 0.3035677 0.3035677), wk = 0.0026455 k( 108) = ( -0.2966684 0.2966684 0.2966684), wk = 0.0026455 k( 109) = ( -0.2897692 0.2897692 0.2897692), wk = 0.0026455 k( 110) = ( -0.2828699 0.2828699 0.2828699), wk = 0.0026455 k( 111) = ( -0.2759706 0.2759706 0.2759706), wk = 0.0026455 k( 112) = ( -0.2690714 0.2690714 0.2690714), wk = 0.0026455 k( 113) = ( -0.2621721 0.2621721 0.2621721), wk = 0.0026455 k( 114) = ( -0.2552728 0.2552728 0.2552728), wk = 0.0026455 k( 115) = ( -0.2483736 0.2483736 0.2483736), wk = 0.0026455 k( 116) = ( -0.2414743 0.2414743 0.2414743), wk = 0.0026455 k( 117) = ( -0.2345751 0.2345751 0.2345751), wk = 0.0026455 k( 118) = ( -0.2276758 0.2276758 0.2276758), wk = 0.0026455 k( 119) = ( -0.2207765 0.2207765 0.2207765), wk = 0.0026455 k( 120) = ( -0.2138772 0.2138773 0.2138773), wk = 0.0026455 k( 121) = ( -0.2069780 0.2069780 0.2069780), wk = 0.0026455 k( 122) = ( -0.2000787 0.2000787 0.2000787), wk = 0.0026455 k( 123) = ( -0.1931795 0.1931795 0.1931795), wk = 0.0026455 k( 124) = ( -0.1862802 0.1862802 0.1862802), wk = 0.0026455 k( 125) = ( -0.1793809 0.1793809 0.1793809), wk = 0.0026455 k( 126) = ( -0.1724816 0.1724817 0.1724816), wk = 0.0026455 k( 127) = ( -0.1655824 0.1655824 0.1655824), wk = 0.0026455 k( 128) = ( -0.1586831 0.1586831 0.1586831), wk = 0.0026455 k( 129) = ( -0.1517838 0.1517839 0.1517838), wk = 0.0026455 k( 130) = ( -0.1448846 0.1448846 0.1448846), wk = 0.0026455 k( 131) = ( -0.1379853 0.1379853 0.1379853), wk = 0.0026455 k( 132) = ( -0.1310861 0.1310861 0.1310861), wk = 0.0026455 k( 133) = ( -0.1241868 0.1241868 0.1241868), wk = 0.0026455 k( 134) = ( -0.1172875 0.1172875 0.1172875), wk = 0.0026455 k( 135) = ( -0.1103883 0.1103883 0.1103883), wk = 0.0026455 k( 136) = ( -0.1034890 0.1034890 0.1034890), wk = 0.0026455 k( 137) = ( -0.0965897 0.0965897 0.0965897), wk = 0.0026455 k( 138) = ( -0.0896905 0.0896905 0.0896905), wk = 0.0026455 k( 139) = ( -0.0827912 0.0827912 0.0827912), wk = 0.0026455 k( 140) = ( -0.0758919 0.0758919 0.0758919), wk = 0.0026455 k( 141) = ( -0.0689927 0.0689927 0.0689927), wk = 0.0026455 k( 142) = ( -0.0620934 0.0620934 0.0620934), wk = 0.0026455 k( 143) = ( -0.0551941 0.0551941 0.0551941), wk = 0.0026455 k( 144) = ( -0.0482949 0.0482949 0.0482949), wk = 0.0026455 k( 145) = ( -0.0413956 0.0413956 0.0413956), wk = 0.0026455 k( 146) = ( -0.0344963 0.0344963 0.0344963), wk = 0.0026455 k( 147) = ( -0.0275971 0.0275971 0.0275971), wk = 0.0026455 k( 148) = ( -0.0206978 0.0206978 0.0206978), wk = 0.0026455 k( 149) = ( -0.0137985 0.0137985 0.0137985), wk = 0.0026455 k( 150) = ( -0.0068993 0.0068993 0.0068993), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 153) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0026455 k( 154) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0026455 k( 155) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0026455 k( 156) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026455 k( 157) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0026455 k( 158) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026455 k( 159) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0026455 k( 160) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026455 k( 161) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0026455 k( 162) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0026455 k( 163) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0026455 k( 164) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026455 k( 165) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0026455 k( 166) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0026455 k( 167) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0026455 k( 168) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026455 k( 169) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0026455 k( 170) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026455 k( 171) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0026455 k( 172) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026455 k( 173) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0026455 k( 174) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0026455 k( 175) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0026455 k( 176) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026455 k( 177) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0026455 k( 178) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0026455 k( 179) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0026455 k( 180) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026455 k( 181) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0026455 k( 182) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026455 k( 183) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0026455 k( 184) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026455 k( 185) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0026455 k( 186) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0026455 k( 187) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0026455 k( 188) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026455 k( 189) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0026455 k( 190) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0026455 k( 191) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0026455 k( 192) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026455 k( 193) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0026455 k( 194) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026455 k( 195) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0026455 k( 196) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026455 k( 197) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0026455 k( 198) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0026455 k( 199) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0026455 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 202) = ( 0.4932744 0.5067256 -0.4932744), wk = 0.0026455 k( 203) = ( 0.4865487 0.5134513 -0.4865488), wk = 0.0026455 k( 204) = ( 0.4798231 0.5201769 -0.4798231), wk = 0.0026455 k( 205) = ( 0.4730975 0.5269025 -0.4730975), wk = 0.0026455 k( 206) = ( 0.4663719 0.5336281 -0.4663719), wk = 0.0026455 k( 207) = ( 0.4596462 0.5403538 -0.4596462), wk = 0.0026455 k( 208) = ( 0.4529206 0.5470794 -0.4529206), wk = 0.0026455 k( 209) = ( 0.4461950 0.5538050 -0.4461950), wk = 0.0026455 k( 210) = ( 0.4394694 0.5605306 -0.4394694), wk = 0.0026455 k( 211) = ( 0.4327437 0.5672563 -0.4327437), wk = 0.0026455 k( 212) = ( 0.4260181 0.5739819 -0.4260181), wk = 0.0026455 k( 213) = ( 0.4192925 0.5807075 -0.4192925), wk = 0.0026455 k( 214) = ( 0.4125668 0.5874331 -0.4125669), wk = 0.0026455 k( 215) = ( 0.4058412 0.5941588 -0.4058412), wk = 0.0026455 k( 216) = ( 0.3991156 0.6008844 -0.3991156), wk = 0.0026455 k( 217) = ( 0.3923900 0.6076100 -0.3923900), wk = 0.0026455 k( 218) = ( 0.3856643 0.6143357 -0.3856643), wk = 0.0026455 k( 219) = ( 0.3789387 0.6210613 -0.3789387), wk = 0.0026455 k( 220) = ( 0.3722131 0.6277869 -0.3722131), wk = 0.0026455 k( 221) = ( 0.3654875 0.6345125 -0.3654875), wk = 0.0026455 k( 222) = ( 0.3587618 0.6412382 -0.3587618), wk = 0.0026455 k( 223) = ( 0.3587618 0.6412382 -0.3587618), wk = 0.0026455 k( 224) = ( 0.3463907 0.6363679 -0.3463907), wk = 0.0026455 k( 225) = ( 0.3340196 0.6314976 -0.3340196), wk = 0.0026455 k( 226) = ( 0.3216485 0.6266273 -0.3216485), wk = 0.0026455 k( 227) = ( 0.3092774 0.6217570 -0.3092774), wk = 0.0026455 k( 228) = ( 0.2969063 0.6168868 -0.2969064), wk = 0.0026455 k( 229) = ( 0.2845353 0.6120165 -0.2845353), wk = 0.0026455 k( 230) = ( 0.2721641 0.6071462 -0.2721642), wk = 0.0026455 k( 231) = ( 0.2597931 0.6022759 -0.2597931), wk = 0.0026455 k( 232) = ( 0.2474220 0.5974056 -0.2474220), wk = 0.0026455 k( 233) = ( 0.2350509 0.5925354 -0.2350509), wk = 0.0026455 k( 234) = ( 0.2226798 0.5876651 -0.2226798), wk = 0.0026455 k( 235) = ( 0.2103087 0.5827948 -0.2103087), wk = 0.0026455 k( 236) = ( 0.1979376 0.5779245 -0.1979376), wk = 0.0026455 k( 237) = ( 0.1855665 0.5730542 -0.1855665), wk = 0.0026455 k( 238) = ( 0.1731954 0.5681839 -0.1731954), wk = 0.0026455 k( 239) = ( 0.1608243 0.5633137 -0.1608243), wk = 0.0026455 k( 240) = ( 0.1484532 0.5584434 -0.1484532), wk = 0.0026455 k( 241) = ( 0.1360821 0.5535731 -0.1360821), wk = 0.0026455 k( 242) = ( 0.1237110 0.5487028 -0.1237110), wk = 0.0026455 k( 243) = ( 0.1113399 0.5438325 -0.1113399), wk = 0.0026455 k( 244) = ( 0.0989688 0.5389623 -0.0989688), wk = 0.0026455 k( 245) = ( 0.0865977 0.5340920 -0.0865977), wk = 0.0026455 k( 246) = ( 0.0742266 0.5292217 -0.0742266), wk = 0.0026455 k( 247) = ( 0.0618555 0.5243514 -0.0618555), wk = 0.0026455 k( 248) = ( 0.0494844 0.5194811 -0.0494844), wk = 0.0026455 k( 249) = ( 0.0371133 0.5146108 -0.0371133), wk = 0.0026455 k( 250) = ( 0.0247422 0.5097406 -0.0247422), wk = 0.0026455 k( 251) = ( 0.0123711 0.5048703 -0.0123711), wk = 0.0026455 k( 252) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 253) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 254) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0026455 k( 255) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0026455 k( 256) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0026455 k( 257) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0026455 k( 258) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0026455 k( 259) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0026455 k( 260) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0026455 k( 261) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0026455 k( 262) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026455 k( 263) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0026455 k( 264) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0026455 k( 265) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0026455 k( 266) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0026455 k( 267) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0026455 k( 268) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0026455 k( 269) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0026455 k( 270) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0026455 k( 271) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026455 k( 272) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0026455 k( 273) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0026455 k( 274) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0026455 k( 275) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0026455 k( 276) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0026455 k( 277) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0026455 k( 278) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0026455 k( 279) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0026455 k( 280) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026455 k( 281) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0026455 k( 282) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0026455 k( 283) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0026455 k( 284) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0026455 k( 285) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0026455 k( 286) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0026455 k( 287) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0026455 k( 288) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0026455 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 291) = ( 0.2575758 0.2575758 0.2358326), wk = 0.0026455 k( 292) = ( 0.2651515 0.2651515 0.2216652), wk = 0.0026455 k( 293) = ( 0.2727273 0.2727273 0.2074979), wk = 0.0026455 k( 294) = ( 0.2803030 0.2803030 0.1933305), wk = 0.0026455 k( 295) = ( 0.2878788 0.2878788 0.1791631), wk = 0.0026455 k( 296) = ( 0.2954545 0.2954546 0.1649957), wk = 0.0026455 k( 297) = ( 0.3030303 0.3030303 0.1508283), wk = 0.0026455 k( 298) = ( 0.3106061 0.3106061 0.1366609), wk = 0.0026455 k( 299) = ( 0.3181818 0.3181818 0.1224935), wk = 0.0026455 k( 300) = ( 0.3257576 0.3257576 0.1083262), wk = 0.0026455 k( 301) = ( 0.3333333 0.3333333 0.0941588), wk = 0.0026455 k( 302) = ( 0.3409091 0.3409091 0.0799914), wk = 0.0026455 k( 303) = ( 0.3484849 0.3484849 0.0658240), wk = 0.0026455 k( 304) = ( 0.3560606 0.3560606 0.0516566), wk = 0.0026455 k( 305) = ( 0.3636364 0.3636364 0.0374892), wk = 0.0026455 k( 306) = ( 0.3712121 0.3712121 0.0233219), wk = 0.0026455 k( 307) = ( 0.3787879 0.3787879 0.0091545), wk = 0.0026455 k( 308) = ( 0.3863636 0.3863636 -0.0050129), wk = 0.0026455 k( 309) = ( 0.3939394 0.3939394 -0.0191803), wk = 0.0026455 k( 310) = ( 0.4015151 0.4015152 -0.0333477), wk = 0.0026455 k( 311) = ( 0.4090909 0.4090909 -0.0475151), wk = 0.0026455 k( 312) = ( 0.4166667 0.4166667 -0.0616825), wk = 0.0026455 k( 313) = ( 0.4242424 0.4242424 -0.0758498), wk = 0.0026455 k( 314) = ( 0.4318182 0.4318182 -0.0900172), wk = 0.0026455 k( 315) = ( 0.4393939 0.4393939 -0.1041846), wk = 0.0026455 k( 316) = ( 0.4469697 0.4469697 -0.1183520), wk = 0.0026455 k( 317) = ( 0.4545455 0.4545455 -0.1325194), wk = 0.0026455 k( 318) = ( 0.4621212 0.4621212 -0.1466868), wk = 0.0026455 k( 319) = ( 0.4696970 0.4696970 -0.1608541), wk = 0.0026455 k( 320) = ( 0.4772727 0.4772727 -0.1750215), wk = 0.0026455 k( 321) = ( 0.4848485 0.4848485 -0.1891889), wk = 0.0026455 k( 322) = ( 0.4924242 0.4924242 -0.2033563), wk = 0.0026455 k( 323) = ( 0.5000000 0.5000000 -0.2175237), wk = 0.0026455 k( 324) = ( 0.5000000 0.5000000 -0.2175237), wk = 0.0026455 k( 325) = ( 0.5000000 0.5000000 -0.2272642), wk = 0.0026455 k( 326) = ( 0.5000000 0.5000000 -0.2370048), wk = 0.0026455 k( 327) = ( 0.5000000 0.5000000 -0.2467454), wk = 0.0026455 k( 328) = ( 0.5000000 0.5000000 -0.2564859), wk = 0.0026455 k( 329) = ( 0.5000000 0.5000000 -0.2662265), wk = 0.0026455 k( 330) = ( 0.5000000 0.5000000 -0.2759671), wk = 0.0026455 k( 331) = ( 0.5000000 0.5000000 -0.2857076), wk = 0.0026455 k( 332) = ( 0.5000000 0.5000000 -0.2954482), wk = 0.0026455 k( 333) = ( 0.5000000 0.5000000 -0.3051887), wk = 0.0026455 k( 334) = ( 0.5000000 0.5000000 -0.3149293), wk = 0.0026455 k( 335) = ( 0.5000000 0.5000000 -0.3246699), wk = 0.0026455 k( 336) = ( 0.5000000 0.5000000 -0.3344104), wk = 0.0026455 k( 337) = ( 0.5000000 0.5000000 -0.3441510), wk = 0.0026455 k( 338) = ( 0.5000000 0.5000000 -0.3538916), wk = 0.0026455 k( 339) = ( 0.5000000 0.5000000 -0.3636321), wk = 0.0026455 k( 340) = ( 0.5000000 0.5000000 -0.3733727), wk = 0.0026455 k( 341) = ( 0.5000000 0.5000000 -0.3831132), wk = 0.0026455 k( 342) = ( 0.5000000 0.5000000 -0.3928538), wk = 0.0026455 k( 343) = ( 0.5000000 0.5000000 -0.4025944), wk = 0.0026455 k( 344) = ( 0.5000000 0.5000000 -0.4123349), wk = 0.0026455 k( 345) = ( 0.5000000 0.5000000 -0.4220755), wk = 0.0026455 k( 346) = ( 0.5000000 0.5000000 -0.4318161), wk = 0.0026455 k( 347) = ( 0.5000000 0.5000000 -0.4415566), wk = 0.0026455 k( 348) = ( 0.5000000 0.5000000 -0.4512972), wk = 0.0026455 k( 349) = ( 0.5000000 0.5000000 -0.4610378), wk = 0.0026455 k( 350) = ( 0.5000000 0.5000000 -0.4707783), wk = 0.0026455 k( 351) = ( 0.5000000 0.5000000 -0.4805189), wk = 0.0026455 k( 352) = ( 0.5000000 0.5000000 -0.4902594), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 355) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026455 k( 356) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026455 k( 357) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026455 k( 358) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026455 k( 359) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026455 k( 360) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026455 k( 361) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026455 k( 362) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026455 k( 363) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026455 k( 364) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026455 k( 365) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026455 k( 366) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026455 k( 367) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026455 k( 368) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026455 k( 369) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026455 k( 370) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026455 k( 371) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026455 k( 372) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026455 k( 373) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026455 k( 374) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026455 k( 375) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026455 k( 376) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026455 k( 377) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026455 k( 378) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 Dense grid: 42753 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18815 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 106, 40) NL pseudopotentials 0.08 Mb ( 53, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 892) G-vector shells 0.00 Mb ( 417) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 106, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 104, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BPO4.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.8 secs Computing kpt #: 2 total cpu time spent up to now is 45.0 secs Computing kpt #: 3 total cpu time spent up to now is 46.2 secs Computing kpt #: 4 total cpu time spent up to now is 47.3 secs Computing kpt #: 5 total cpu time spent up to now is 48.4 secs Computing kpt #: 6 total cpu time spent up to now is 49.6 secs Computing kpt #: 7 total cpu time spent up to now is 50.8 secs Computing kpt #: 8 total cpu time spent up to now is 52.0 secs Computing kpt #: 9 total cpu time spent up to now is 53.2 secs Computing kpt #: 10 total cpu time spent up to now is 54.4 secs Computing kpt #: 11 total cpu time spent up to now is 55.5 secs Computing kpt #: 12 total cpu time spent up to now is 56.7 secs Computing kpt #: 13 total cpu time spent up to now is 57.8 secs Computing kpt #: 14 total cpu time spent up to now is 59.0 secs Computing kpt #: 15 total cpu time spent up to now is 60.1 secs Computing kpt #: 16 total cpu time spent up to now is 61.3 secs Computing kpt #: 17 total cpu time spent up to now is 62.5 secs Computing kpt #: 18 total cpu time spent up to now is 63.7 secs Computing kpt #: 19 total cpu time spent up to now is 64.8 secs Computing kpt #: 20 total cpu time spent up to now is 66.0 secs Computing kpt #: 21 total cpu time spent up to now is 67.1 secs Computing kpt #: 22 total cpu time spent up to now is 68.3 secs Computing kpt #: 23 total cpu time spent up to now is 69.5 secs Computing kpt #: 24 total cpu time spent up to now is 70.7 secs Computing kpt #: 25 total cpu time spent up to now is 71.8 secs Computing kpt #: 26 total cpu time spent up to now is 73.0 secs Computing kpt #: 27 total cpu time spent up to now is 74.2 secs Computing kpt #: 28 total cpu time spent up to now is 75.4 secs Computing kpt #: 29 total cpu time spent up to now is 77.1 secs Computing kpt #: 30 total cpu time spent up to now is 78.3 secs Computing kpt #: 31 total cpu time spent up to now is 79.7 secs Computing kpt #: 32 total cpu time spent up to now is 80.9 secs Computing kpt #: 33 total cpu time spent up to now is 82.1 secs Computing kpt #: 34 total cpu time spent up to now is 83.4 secs Computing kpt #: 35 total cpu time spent up to now is 84.6 secs Computing kpt #: 36 total cpu time spent up to now is 85.8 secs Computing kpt #: 37 total cpu time spent up to now is 87.1 secs Computing kpt #: 38 total cpu time spent up to now is 88.3 secs Computing kpt #: 39 total cpu time spent up to now is 89.6 secs Computing kpt #: 40 total cpu time spent up to now is 91.7 secs Computing kpt #: 41 total cpu time spent up to now is 93.0 secs Computing kpt #: 42 total cpu time spent up to now is 94.3 secs Computing kpt #: 43 total cpu time spent up to now is 95.5 secs Computing kpt #: 44 total cpu time spent up to now is 96.7 secs Computing kpt #: 45 total cpu time spent up to now is 98.0 secs Computing kpt #: 46 total cpu time spent up to now is 99.3 secs Computing kpt #: 47 total cpu time spent up to now is 100.5 secs Computing kpt #: 48 total cpu time spent up to now is 101.7 secs Computing kpt #: 49 total cpu time spent up to now is 103.0 secs Computing kpt #: 50 total cpu time spent up to now is 104.2 secs Computing kpt #: 51 total cpu time spent up to now is 105.6 secs Computing kpt #: 52 total cpu time spent up to now is 106.8 secs Computing kpt #: 53 total cpu time spent up to now is 108.0 secs Computing kpt #: 54 total cpu time spent up to now is 109.3 secs Computing kpt #: 55 total cpu time spent up to now is 110.6 secs Computing kpt #: 56 total cpu time spent up to now is 111.9 secs Computing kpt #: 57 total cpu time spent up to now is 113.1 secs Computing kpt #: 58 total cpu time spent up to now is 114.5 secs Computing kpt #: 59 total cpu time spent up to now is 115.8 secs Computing kpt #: 60 total cpu time spent up to now is 117.2 secs Computing kpt #: 61 total cpu time spent up to now is 118.4 secs Computing kpt #: 62 total cpu time spent up to now is 119.7 secs Computing kpt #: 63 total cpu time spent up to now is 120.9 secs Computing kpt #: 64 total cpu time spent up to now is 122.3 secs Computing kpt #: 65 total cpu time spent up to now is 123.6 secs Computing kpt #: 66 total cpu time spent up to now is 124.9 secs Computing kpt #: 67 total cpu time spent up to now is 126.1 secs Computing kpt #: 68 total cpu time spent up to now is 127.3 secs Computing kpt #: 69 total cpu time spent up to now is 128.6 secs Computing kpt #: 70 total cpu time spent up to now is 129.9 secs Computing kpt #: 71 total cpu time spent up to now is 131.1 secs Computing kpt #: 72 total cpu time spent up to now is 132.3 secs Computing kpt #: 73 total cpu time spent up to now is 133.5 secs Computing kpt #: 74 total cpu time spent up to now is 134.7 secs Computing kpt #: 75 total cpu time spent up to now is 135.9 secs Computing kpt #: 76 total cpu time spent up to now is 137.0 secs Computing kpt #: 77 total cpu time spent up to now is 138.1 secs Computing kpt #: 78 total cpu time spent up to now is 139.8 secs Computing kpt #: 79 total cpu time spent up to now is 140.9 secs Computing kpt #: 80 total cpu time spent up to now is 142.1 secs Computing kpt #: 81 total cpu time spent up to now is 143.2 secs Computing kpt #: 82 total cpu time spent up to now is 144.3 secs Computing kpt #: 83 total cpu time spent up to now is 145.6 secs Computing kpt #: 84 total cpu time spent up to now is 146.7 secs Computing kpt #: 85 total cpu time spent up to now is 147.9 secs Computing kpt #: 86 total cpu time spent up to now is 149.0 secs Computing kpt #: 87 total cpu time spent up to now is 150.1 secs Computing kpt #: 88 total cpu time spent up to now is 151.9 secs Computing kpt #: 89 total cpu time spent up to now is 153.1 secs Computing kpt #: 90 total cpu time spent up to now is 154.3 secs Computing kpt #: 91 total cpu time spent up to now is 155.4 secs Computing kpt #: 92 total cpu time spent up to now is 156.5 secs Computing kpt #: 93 total cpu time spent up to now is 157.7 secs Computing kpt #: 94 total cpu time spent up to now is 158.9 secs Computing kpt #: 95 total cpu time spent up to now is 160.0 secs Computing kpt #: 96 total cpu time spent up to now is 161.2 secs Computing kpt #: 97 total cpu time spent up to now is 162.3 secs Computing kpt #: 98 total cpu time spent up to now is 163.5 secs Computing kpt #: 99 total cpu time spent up to now is 164.6 secs Computing kpt #: 100 total cpu time spent up to now is 166.3 secs Computing kpt #: 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cpu time spent up to now is 185.0 secs Computing kpt #: 117 total cpu time spent up to now is 186.1 secs Computing kpt #: 118 total cpu time spent up to now is 187.3 secs Computing kpt #: 119 total cpu time spent up to now is 188.5 secs Computing kpt #: 120 total cpu time spent up to now is 189.7 secs Computing kpt #: 121 total cpu time spent up to now is 190.9 secs Computing kpt #: 122 total cpu time spent up to now is 192.1 secs Computing kpt #: 123 total cpu time spent up to now is 193.3 secs Computing kpt #: 124 total cpu time spent up to now is 195.1 secs Computing kpt #: 125 total cpu time spent up to now is 196.2 secs Computing kpt #: 126 total cpu time spent up to now is 197.4 secs Computing kpt #: 127 total cpu time spent up to now is 198.6 secs Computing kpt #: 128 total cpu time spent up to now is 200.5 secs Computing kpt #: 129 total cpu time spent up to now is 201.7 secs Computing kpt #: 130 total cpu time spent up to now is 203.1 secs Computing kpt #: 131 total cpu time spent up to now is 204.2 secs Computing kpt #: 132 total cpu time spent up to now is 205.4 secs Computing kpt #: 133 total cpu time spent up to now is 206.7 secs Computing kpt #: 134 total cpu time spent up to now is 207.8 secs Computing kpt #: 135 total cpu time spent up to now is 209.0 secs Computing kpt #: 136 total cpu time spent up to now is 210.1 secs Computing kpt #: 137 total cpu time spent up to now is 211.3 secs Computing kpt #: 138 total cpu time spent up to now is 212.5 secs Computing kpt #: 139 total cpu time spent up to now is 213.7 secs Computing kpt #: 140 total cpu time spent up to now is 214.8 secs Computing kpt #: 141 total cpu time spent up to now is 216.0 secs Computing kpt #: 142 total cpu time spent up to now is 217.1 secs Computing kpt #: 143 total cpu time spent up to now is 218.3 secs Computing kpt #: 144 total cpu time spent up to now is 219.4 secs Computing kpt #: 145 total cpu time spent up to now is 220.6 secs Computing kpt #: 146 total cpu time spent up to now is 221.7 secs Computing kpt #: 147 total cpu time spent up to now is 222.8 secs Computing kpt #: 148 total cpu time spent up to now is 223.9 secs Computing kpt #: 149 total cpu time spent up to now is 225.0 secs Computing kpt #: 150 total cpu time spent up to now is 226.7 secs Computing kpt #: 151 total cpu time spent up to now is 227.8 secs Computing kpt #: 152 total cpu time spent up to now is 228.8 secs Computing kpt #: 153 total cpu time spent up to now is 230.2 secs Computing kpt #: 154 total cpu time spent up to now is 231.3 secs Computing kpt #: 155 total cpu time spent up to now is 232.4 secs Computing kpt #: 156 total cpu time spent up to now is 233.4 secs Computing kpt #: 157 total cpu time spent up to now is 234.5 secs Computing kpt #: 158 total cpu time spent up to now is 236.5 secs Computing kpt #: 159 total cpu time spent up to now is 237.6 secs Computing kpt #: 160 total cpu time spent up to now is 238.7 secs Computing kpt #: 161 total cpu time spent up to now is 239.8 secs Computing kpt #: 162 total cpu time spent up to now is 240.9 secs Computing kpt #: 163 total cpu time spent up to now is 242.0 secs Computing kpt #: 164 total cpu time spent up to now is 243.1 secs Computing kpt #: 165 total cpu time spent up to now is 244.1 secs Computing kpt #: 166 total cpu time spent up to now is 245.1 secs Computing kpt #: 167 total cpu time spent up to now is 246.1 secs Computing kpt #: 168 total cpu time spent up to now is 247.0 secs Computing kpt #: 169 total cpu time spent up to now is 248.1 secs Computing kpt #: 170 total cpu time spent up to now is 249.0 secs Computing kpt #: 171 total cpu time spent up to now is 249.9 secs Computing kpt #: 172 total cpu time spent up to now is 250.8 secs Computing kpt #: 173 total cpu time spent up to now is 251.8 secs Computing kpt #: 174 total cpu time spent up to now is 252.8 secs Computing kpt #: 175 total cpu time spent up to now is 253.9 secs Computing kpt #: 176 total cpu time spent up to now is 254.9 secs Computing kpt #: 177 total cpu time spent up to now is 256.0 secs Computing kpt #: 178 total cpu time spent up to now is 257.0 secs Computing kpt #: 179 total cpu time spent up to now is 258.0 secs Computing kpt #: 180 total cpu time spent up to now is 259.1 secs Computing kpt #: 181 total cpu time spent up to now is 260.1 secs Computing kpt #: 182 total cpu time spent up to now is 261.1 secs Computing kpt #: 183 total cpu time spent up to now is 262.2 secs Computing kpt #: 184 total cpu time spent up to now is 263.2 secs Computing kpt #: 185 total cpu time spent up to now is 264.2 secs Computing kpt #: 186 total cpu time spent up to now is 265.3 secs Computing kpt #: 187 total cpu time spent up to now is 266.3 secs Computing kpt #: 188 total cpu time spent up to now is 267.3 secs Computing kpt #: 189 total cpu time spent up to now is 268.4 secs Computing kpt #: 190 total cpu time spent up to now is 269.4 secs Computing kpt #: 191 total cpu time spent up to now is 270.4 secs Computing kpt #: 192 total cpu time spent up to now is 271.4 secs Computing kpt #: 193 total cpu time spent up to now is 272.5 secs Computing kpt #: 194 total cpu time spent up to now is 273.5 secs Computing kpt #: 195 total cpu time spent up to now is 274.5 secs Computing kpt #: 196 total cpu time spent up to now is 275.5 secs Computing kpt #: 197 total cpu time spent up to now is 276.5 secs Computing kpt #: 198 total cpu time spent up to now is 277.5 secs Computing kpt #: 199 total cpu time spent up to now is 278.5 secs Computing kpt #: 200 total cpu time spent up to now is 279.5 secs Computing kpt #: 201 total cpu time spent up to now is 280.5 secs Computing kpt #: 202 total cpu time spent up to now is 281.5 secs Computing kpt #: 203 total cpu time spent up to now is 283.0 secs Computing kpt #: 204 total cpu time spent up to now is 284.3 secs Computing kpt #: 205 total cpu time spent up to now is 285.4 secs Computing kpt #: 206 total cpu time spent up to now is 286.4 secs Computing kpt #: 207 total cpu time spent up to now is 287.3 secs Computing kpt #: 208 total cpu time spent up to now is 288.3 secs Computing kpt #: 209 total cpu time spent up to now is 289.4 secs Computing kpt #: 210 total cpu time spent up to now is 290.5 secs Computing kpt #: 211 total cpu time spent up to now is 291.5 secs Computing kpt #: 212 total cpu time spent up to now is 292.6 secs Computing kpt #: 213 total cpu time spent up to now is 293.7 secs Computing kpt #: 214 total cpu time spent up to now is 294.8 secs Computing kpt #: 215 total cpu time spent up to now is 295.9 secs Computing kpt #: 216 total cpu time spent up to now is 297.0 secs Computing kpt #: 217 total cpu time spent up to now is 298.1 secs Computing kpt #: 218 total cpu time spent up to now is 299.3 secs Computing kpt #: 219 total cpu time spent up to now is 300.4 secs Computing kpt #: 220 total cpu time spent up to now is 301.4 secs Computing kpt #: 221 total cpu time spent up to now is 302.6 secs Computing kpt #: 222 total cpu time spent up to now is 303.9 secs Computing kpt #: 223 total cpu time spent up to now is 305.1 secs Computing kpt #: 224 total cpu time spent up to now is 306.2 secs Computing kpt #: 225 total cpu time spent up to now is 307.3 secs Computing kpt #: 226 total cpu time spent up to now is 308.6 secs Computing kpt #: 227 total cpu time spent up to now is 309.7 secs Computing kpt #: 228 total cpu time spent up to now is 310.8 secs Computing kpt #: 229 total cpu time spent up to now is 312.0 secs Computing kpt #: 230 total cpu time spent up to now is 313.1 secs Computing kpt #: 231 total cpu time spent up to now is 314.3 secs Computing kpt #: 232 total cpu time spent up to now is 315.4 secs Computing kpt #: 233 total cpu time spent up to now is 316.6 secs Computing kpt #: 234 total cpu time spent up to now is 317.8 secs Computing kpt #: 235 total cpu time spent up to now is 319.0 secs Computing kpt #: 236 total cpu time spent up to now is 321.0 secs Computing kpt #: 237 total cpu time spent up to now is 322.1 secs Computing kpt #: 238 total cpu time spent up to now is 323.3 secs Computing kpt #: 239 total cpu time spent up to now is 324.4 secs Computing kpt #: 240 total cpu time spent up to now is 325.6 secs Computing kpt #: 241 total cpu time spent up to now is 326.8 secs Computing kpt #: 242 total cpu time spent up to now is 328.0 secs Computing kpt #: 243 total cpu time spent up to now is 329.8 secs Computing kpt #: 244 total cpu time spent up to now is 331.5 secs Computing kpt #: 245 total cpu time spent up to now is 333.3 secs Computing kpt #: 246 total cpu time spent up to now is 334.9 secs Computing kpt #: 247 total cpu time spent up to now is 336.0 secs Computing kpt #: 248 total cpu time spent up to now is 337.3 secs Computing kpt #: 249 total cpu time spent up to now is 338.4 secs Computing kpt #: 250 total cpu time spent up to now is 339.6 secs Computing kpt #: 251 total cpu time spent up to now is 340.7 secs Computing kpt #: 252 total cpu time spent up to now is 341.8 secs Computing kpt #: 253 total cpu time spent up to now is 342.9 secs Computing kpt #: 254 total cpu time spent up to now is 344.1 secs Computing kpt #: 255 total cpu time spent up to now is 345.8 secs Computing kpt #: 256 total cpu time spent up to now is 346.9 secs Computing kpt #: 257 total cpu time spent up to now is 348.1 secs Computing kpt #: 258 total cpu time spent up to now is 349.4 secs Computing kpt #: 259 total cpu time spent up to now is 350.6 secs Computing kpt #: 260 total cpu time spent up to now is 351.8 secs Computing kpt #: 261 total cpu time spent up to now is 353.5 secs Computing kpt #: 262 total cpu time spent up to now is 354.6 secs Computing kpt #: 263 total cpu time spent up to now is 356.0 secs Computing kpt #: 264 total cpu time spent up to now is 357.2 secs Computing kpt #: 265 total cpu time spent up to now is 358.4 secs Computing kpt #: 266 total cpu time spent up to now is 359.5 secs Computing kpt #: 267 total cpu time spent up to now is 360.7 secs Computing kpt #: 268 total cpu time spent up to now is 362.6 secs Computing kpt #: 269 total cpu time spent up to now is 363.8 secs Computing kpt #: 270 total cpu time spent up to now is 365.0 secs Computing kpt #: 271 total cpu time spent up to now is 366.1 secs Computing kpt #: 272 total cpu time spent up to now is 367.3 secs Computing kpt #: 273 total cpu time spent up to now is 368.5 secs Computing kpt #: 274 total cpu time spent up to now is 369.6 secs Computing kpt #: 275 total cpu time spent up to now is 370.8 secs Computing kpt #: 276 total cpu time spent up to now is 371.9 secs Computing kpt #: 277 total cpu time spent up to now is 373.0 secs Computing kpt #: 278 total cpu time spent up to now is 374.1 secs Computing kpt #: 279 total cpu time spent up to now is 375.8 secs Computing kpt #: 280 total cpu time spent up to now is 376.8 secs Computing kpt #: 281 total cpu time spent up to now is 377.9 secs Computing kpt #: 282 total cpu time spent up to now is 379.0 secs Computing kpt #: 283 total cpu time spent up to now is 380.3 secs Computing kpt #: 284 total cpu time spent up to now is 381.4 secs Computing kpt #: 285 total cpu time spent up to now is 382.4 secs Computing kpt #: 286 total cpu time spent up to now is 383.5 secs Computing kpt #: 287 total cpu time spent up to now is 384.6 secs Computing kpt #: 288 total cpu time spent up to now is 385.8 secs Computing kpt #: 289 total cpu time spent up to now is 386.9 secs Computing kpt #: 290 total cpu time spent up to now is 388.0 secs Computing kpt #: 291 total cpu time spent up to now is 389.1 secs Computing kpt #: 292 total cpu time spent up to now is 390.2 secs Computing kpt #: 293 total cpu time spent up to now is 391.2 secs Computing kpt #: 294 total cpu time spent up to now is 392.3 secs Computing kpt #: 295 total cpu time spent up to now is 393.4 secs Computing kpt #: 296 total cpu time spent up to now is 394.5 secs Computing kpt #: 297 total cpu time spent up to now is 395.6 secs Computing kpt #: 298 total cpu time spent up to now is 396.7 secs Computing kpt #: 299 total cpu time spent up to now is 397.8 secs Computing kpt #: 300 total cpu time spent up to now is 398.9 secs Computing kpt #: 301 total cpu time spent up to now is 400.0 secs Computing kpt #: 302 total cpu time spent up to now is 401.1 secs Computing kpt #: 303 total cpu time spent up to now is 402.3 secs Computing kpt #: 304 total cpu time spent up to now is 404.0 secs Computing kpt #: 305 total cpu time spent up to now is 405.2 secs Computing kpt #: 306 total cpu time spent up to now is 406.4 secs Computing kpt #: 307 total cpu time spent up to now is 407.5 secs Computing kpt #: 308 total cpu time spent up to now is 408.7 secs Computing kpt #: 309 total cpu time spent up to now is 410.0 secs Computing kpt #: 310 total cpu time spent up to now is 411.2 secs Computing kpt #: 311 total cpu time spent up to now is 412.4 secs Computing kpt #: 312 total cpu time spent up to now is 413.6 secs Computing kpt #: 313 total cpu time spent up to now is 414.7 secs Computing kpt #: 314 total cpu time spent up to now is 416.6 secs Computing kpt #: 315 total cpu time spent up to now is 417.8 secs Computing kpt #: 316 total cpu time spent up to now is 419.0 secs Computing kpt #: 317 total cpu time spent up to now is 420.2 secs Computing kpt #: 318 total cpu time spent up to now is 421.4 secs Computing kpt #: 319 total cpu time spent up to now is 422.5 secs Computing kpt #: 320 total cpu time spent up to now is 423.7 secs Computing kpt #: 321 total cpu time spent up to now is 424.8 secs Computing kpt #: 322 total cpu time spent up to now is 426.0 secs Computing kpt #: 323 total cpu time spent up to now is 427.1 secs Computing kpt #: 324 total cpu time spent up to now is 428.3 secs Computing kpt #: 325 total cpu time spent up to now is 429.5 secs Computing kpt #: 326 total cpu time spent up to now is 430.6 secs Computing kpt #: 327 total cpu time spent up to now is 431.7 secs Computing kpt #: 328 total cpu time spent up to now is 432.9 secs Computing kpt #: 329 total cpu time spent up to now is 434.0 secs Computing kpt #: 330 total cpu time spent up to now is 435.1 secs Computing kpt #: 331 total cpu time spent up to now is 436.2 secs Computing kpt #: 332 total cpu time spent up to now is 437.2 secs Computing kpt #: 333 total cpu time spent up to now is 438.3 secs Computing kpt #: 334 total cpu time spent up to now is 439.4 secs Computing kpt #: 335 total cpu time spent up to now is 440.5 secs Computing kpt #: 336 total cpu time spent up to now is 441.5 secs Computing kpt #: 337 total cpu time spent up to now is 442.6 secs Computing kpt #: 338 total cpu time spent up to now is 443.5 secs Computing kpt #: 339 total cpu time spent up to now is 444.6 secs Computing kpt #: 340 total cpu time spent up to now is 445.7 secs Computing kpt #: 341 total cpu time spent up to now is 446.7 secs Computing kpt #: 342 total cpu time spent up to now is 447.8 secs Computing kpt #: 343 total cpu time spent up to now is 448.8 secs Computing kpt #: 344 total cpu time spent up to now is 449.8 secs Computing kpt #: 345 total cpu time spent up to now is 450.8 secs Computing kpt #: 346 total cpu time spent up to now is 451.9 secs Computing kpt #: 347 total cpu time spent up to now is 452.9 secs Computing kpt #: 348 total cpu time spent up to now is 453.9 secs Computing kpt #: 349 total cpu time spent up to now is 454.9 secs Computing kpt #: 350 total cpu time spent up to now is 456.0 secs Computing kpt #: 351 total cpu time spent up to now is 456.9 secs Computing kpt #: 352 total cpu time spent up to now is 458.0 secs Computing kpt #: 353 total cpu time spent up to now is 459.0 secs Computing kpt #: 354 total cpu time spent up to now is 460.2 secs Computing kpt #: 355 total cpu time spent up to now is 461.5 secs Computing kpt #: 356 total cpu time spent up to now is 462.7 secs Computing kpt #: 357 total cpu time spent up to now is 464.0 secs Computing kpt #: 358 total cpu time spent up to now is 465.3 secs Computing kpt #: 359 total cpu time spent up to now is 466.5 secs Computing kpt #: 360 total cpu time spent up to now is 467.7 secs Computing kpt #: 361 total cpu time spent up to now is 468.9 secs Computing kpt #: 362 total cpu time spent up to now is 470.2 secs Computing kpt #: 363 total cpu time spent up to now is 471.4 secs Computing kpt #: 364 total cpu time spent up to now is 472.5 secs Computing kpt #: 365 total cpu time spent up to now is 473.7 secs Computing kpt #: 366 total cpu time spent up to now is 474.8 secs Computing kpt #: 367 total cpu time spent up to now is 476.1 secs Computing kpt #: 368 total cpu time spent up to now is 477.3 secs Computing kpt #: 369 total cpu time spent up to now is 478.5 secs Computing kpt #: 370 total cpu time spent up to now is 479.8 secs Computing kpt #: 371 total cpu time spent up to now is 481.7 secs Computing kpt #: 372 total cpu time spent up to now is 482.9 secs Computing kpt #: 373 total cpu time spent up to now is 484.0 secs Computing kpt #: 374 total cpu time spent up to now is 485.1 secs Computing kpt #: 375 total cpu time spent up to now is 486.2 secs Computing kpt #: 376 total cpu time spent up to now is 488.0 secs Computing kpt #: 377 total cpu time spent up to now is 489.1 secs Computing kpt #: 378 total cpu time spent up to now is 490.2 secs ethr = 3.13E-11, avg # of iterations = 34.6 total cpu time spent up to now is 490.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2357 PWs) bands (ev): -18.5972 -18.5972 -15.2198 -15.2198 -15.2139 -15.2139 -15.0239 -15.0239 -8.2310 -8.2310 -4.3932 -4.3932 -4.3868 -4.3868 -3.8106 -3.8106 -0.5706 -0.5706 0.3436 0.3436 1.2986 1.2986 1.3662 1.3662 1.3903 1.3903 1.4870 1.4870 2.5517 2.5517 2.5615 2.5615 10.3504 10.3504 11.5038 11.5038 13.6269 13.6269 13.6545 13.6545 k = 0.0000 0.0000 0.0144 ( 2357 PWs) bands (ev): -18.5966 -18.5966 -15.2205 -15.2204 -15.2145 -15.2145 -15.0241 -15.0239 -8.2297 -8.2297 -4.3937 -4.3933 -4.3869 -4.3868 -3.8098 -3.8092 -0.5713 -0.5710 0.3441 0.3442 1.2954 1.2960 1.3671 1.3672 1.3907 1.3912 1.4861 1.4862 2.5517 2.5518 2.5613 2.5617 10.3530 10.3530 11.5049 11.5055 13.6257 13.6261 13.6533 13.6536 k = 0.0000 0.0000 0.0287 ( 2349 PWs) bands (ev): -18.5950 -18.5950 -15.2229 -15.2226 -15.2158 -15.2157 -15.0245 -15.0242 -8.2258 -8.2258 -4.3962 -4.3953 -4.3858 -4.3854 -3.8067 -3.8055 -0.5732 -0.5725 0.3456 0.3458 1.2871 1.2883 1.3686 1.3689 1.3929 1.3937 1.4835 1.4837 2.5516 2.5520 2.5613 2.5620 10.3609 10.3609 11.5086 11.5099 13.6223 13.6230 13.6505 13.6510 k = 0.0000 0.0000 0.0431 ( 2349 PWs) bands (ev): -18.5923 -18.5923 -15.2277 -15.2273 -15.2170 -15.2169 -15.0252 -15.0248 -8.2194 -8.2193 -4.4016 -4.4002 -4.3824 -4.3817 -3.8015 -3.7998 -0.5762 -0.5752 0.3481 0.3484 1.2748 1.2766 1.3686 1.3692 1.3976 1.3989 1.4791 1.4797 2.5514 2.5520 2.5614 2.5624 10.3739 10.3739 11.5149 11.5169 13.6161 13.6171 13.6466 13.6474 k = 0.0000 0.0000 0.0575 ( 2341 PWs) bands (ev): -18.5885 -18.5885 -15.2350 -15.2344 -15.2182 -15.2179 -15.0262 -15.0257 -8.2103 -8.2102 -4.4094 -4.4076 -4.3771 -4.3761 -3.7942 -3.7920 -0.5803 -0.5789 0.3517 0.3521 1.2593 1.2618 1.3663 1.3674 1.4042 1.4066 1.4731 1.4750 2.5510 2.5519 2.5618 2.5632 10.3920 10.3921 11.5239 11.5266 13.6066 13.6077 13.6424 13.6438 k = 0.0000 0.0000 0.0719 ( 2341 PWs) bands (ev): -18.5836 -18.5836 -15.2445 -15.2438 -15.2193 -15.2190 -15.0275 -15.0268 -8.1987 -8.1986 -4.4193 -4.4172 -4.3699 -4.3688 -3.7850 -3.7823 -0.5855 -0.5838 0.3563 0.3568 1.2410 1.2440 1.3621 1.3639 1.4107 1.4157 1.4660 1.4705 2.5502 2.5514 2.5626 2.5644 10.4152 10.4153 11.5354 11.5388 13.5934 13.5946 13.6385 13.6404 k = 0.0000 0.0000 0.0862 ( 2341 PWs) bands (ev): -18.5777 -18.5776 -15.2561 -15.2553 -15.2206 -15.2202 -15.0290 -15.0283 -8.1845 -8.1845 -4.4311 -4.4287 -4.3612 -4.3599 -3.7740 -3.7708 -0.5918 -0.5898 0.3620 0.3626 1.2201 1.2237 1.3564 1.3591 1.4142 1.4238 1.4597 1.4686 2.5492 2.5506 2.5638 2.5660 10.4434 10.4434 11.5493 11.5534 13.5767 13.5780 13.6349 13.6375 k = 0.0000 0.0000 0.1006 ( 2345 PWs) bands (ev): -18.5706 -18.5706 -15.2698 -15.2689 -15.2221 -15.2216 -15.0309 -15.0300 -8.1679 -8.1679 -4.4447 -4.4420 -4.3508 -4.3493 -3.7614 -3.7578 -0.5992 -0.5969 0.3687 0.3694 1.1967 1.2007 1.3493 1.3535 1.4115 1.4251 1.4600 1.4724 2.5477 2.5495 2.5656 2.5681 10.4763 10.4764 11.5656 11.5704 13.5570 13.5583 13.6317 13.6349 k = 0.0000 0.0000 0.1150 ( 2343 PWs) bands (ev): -18.5626 -18.5625 -15.2854 -15.2845 -15.2237 -15.2232 -15.0330 -15.0320 -8.1489 -8.1488 -4.4598 -4.4570 -4.3389 -4.3371 -3.7473 -3.7433 -0.6077 -0.6051 0.3765 0.3773 1.1708 1.1751 1.3408 1.3469 1.4026 1.4169 1.4696 1.4819 2.5460 2.5481 2.5678 2.5705 10.5139 10.5140 11.5842 11.5896 13.5345 13.5359 13.6289 13.6328 k = 0.0000 0.0000 0.1294 ( 2343 PWs) bands (ev): -18.5534 -18.5534 -15.3029 -15.3020 -15.2254 -15.2249 -15.0354 -15.0344 -8.1274 -8.1273 -4.4765 -4.4734 -4.3254 -4.3234 -3.7320 -3.7275 -0.6173 -0.6143 0.3853 0.3862 1.1426 1.1471 1.3305 1.3393 1.3892 1.4041 1.4839 1.4953 2.5441 2.5465 2.5703 2.5734 10.5560 10.5562 11.6048 11.6110 13.5097 13.5112 13.6266 13.6311 k = 0.0000 0.0000 0.1437 ( 2351 PWs) bands (ev): -18.5432 -18.5432 -15.3223 -15.3213 -15.2274 -15.2268 -15.0381 -15.0370 -8.1036 -8.1035 -4.4944 -4.4912 -4.3105 -4.3083 -3.7154 -3.7106 -0.6278 -0.6245 0.3952 0.3962 1.1120 1.1166 1.3181 1.3302 1.3734 1.3898 1.5006 1.5112 2.5419 2.5446 2.5732 2.5765 10.6025 10.6026 11.6273 11.6343 13.4829 13.4844 13.6249 13.6300 k = 0.0000 0.0000 0.1581 ( 2349 PWs) bands (ev): -18.5320 -18.5320 -15.3434 -15.3425 -15.2295 -15.2288 -15.0411 -15.0400 -8.0775 -8.0774 -4.5136 -4.5103 -4.2940 -4.2916 -3.6978 -3.6927 -0.6393 -0.6357 0.4061 0.4072 1.0792 1.0838 1.3031 1.3186 1.3569 1.3753 1.5189 1.5290 2.5396 2.5426 2.5764 2.5800 10.6531 10.6533 11.6517 11.6593 13.4544 13.4559 13.6239 13.6297 k = 0.0000 0.0000 0.1725 ( 2349 PWs) bands (ev): -18.5198 -18.5197 -15.3662 -15.3653 -15.2318 -15.2310 -15.0444 -15.0432 -8.0492 -8.0491 -4.5339 -4.5305 -4.2761 -4.2735 -3.6793 -3.6739 -0.6518 -0.6478 0.4180 0.4192 1.0444 1.0489 1.2850 1.3026 1.3418 1.3614 1.5385 1.5483 2.5371 2.5404 2.5798 2.5837 10.7076 10.7078 11.6776 11.6860 13.4244 13.4260 13.6240 13.6304 k = 0.0000 0.0000 0.1868 ( 2355 PWs) bands (ev): -18.5065 -18.5065 -15.3907 -15.3898 -15.2342 -15.2334 -15.0479 -15.0467 -8.0188 -8.0186 -4.5553 -4.5518 -4.2568 -4.2540 -3.6600 -3.6544 -0.6650 -0.6608 0.4309 0.4321 1.0075 1.0119 1.2635 1.2816 1.3291 1.3486 1.5592 1.5688 2.5345 2.5380 2.5835 2.5877 10.7659 10.7661 11.7049 11.7141 13.3933 13.3949 13.6251 13.6323 k = 0.0000 0.0000 0.2012 ( 2351 PWs) bands (ev): -18.4922 -18.4922 -15.4167 -15.4158 -15.2367 -15.2358 -15.0517 -15.0504 -7.9862 -7.9861 -4.5777 -4.5742 -4.2361 -4.2331 -3.6400 -3.6342 -0.6791 -0.6746 0.4446 0.4459 0.9689 0.9730 1.2390 1.2562 1.3185 1.3367 1.5811 1.5905 2.5317 2.5356 2.5873 2.5918 10.8276 10.8278 11.7335 11.7434 13.3613 13.3629 13.6276 13.6355 k = 0.0000 0.0000 0.2156 ( 2355 PWs) bands (ev): -18.4770 -18.4769 -15.4443 -15.4434 -15.2394 -15.2384 -15.0557 -15.0544 -7.9516 -7.9515 -4.6010 -4.5974 -4.2142 -4.2109 -3.6195 -3.6134 -0.6938 -0.6890 0.4592 0.4606 0.9286 0.9324 1.2117 1.2276 1.3088 1.3256 1.6039 1.6133 2.5288 2.5329 2.5913 2.5961 10.8925 10.8928 11.7630 11.7737 13.3286 13.3303 13.6317 13.6404 k = 0.0000 0.0000 0.2300 ( 2359 PWs) bands (ev): -18.4608 -18.4607 -15.4733 -15.4724 -15.2421 -15.2412 -15.0600 -15.0587 -7.9151 -7.9149 -4.6253 -4.6216 -4.1910 -4.1875 -3.5985 -3.5922 -0.7092 -0.7041 0.4744 0.4760 0.8869 0.8903 1.1820 1.1966 1.2997 1.3151 1.6276 1.6370 2.5257 2.5301 2.5955 2.6005 10.9604 10.9608 11.7934 11.8049 13.2956 13.2972 13.6375 13.6469 k = 0.0000 0.0000 0.2443 ( 2363 PWs) bands (ev): -18.4436 -18.4435 -15.5036 -15.5028 -15.2450 -15.2440 -15.0645 -15.0631 -7.8767 -7.8765 -4.6503 -4.6467 -4.1666 -4.1629 -3.5771 -3.5706 -0.7251 -0.7196 0.4904 0.4920 0.8438 0.8468 1.1501 1.1636 1.2908 1.3050 1.6522 1.6616 2.5225 2.5272 2.5997 2.6051 11.0311 11.0315 11.8244 11.8366 13.2624 13.2640 13.6452 13.6554 k = 0.0000 0.0000 0.2587 ( 2371 PWs) bands (ev): -18.4255 -18.4254 -15.5352 -15.5344 -15.2479 -15.2469 -15.0691 -15.0678 -7.8365 -7.8363 -4.6762 -4.6726 -4.1410 -4.1371 -3.5555 -3.5487 -0.7414 -0.7356 0.5067 0.5085 0.7997 0.8021 1.1165 1.1289 1.2821 1.2953 1.6775 1.6870 2.5191 2.5240 2.6040 2.6096 11.1041 11.1047 11.8559 11.8688 13.2293 13.2309 13.6550 13.6660 k = 0.0000 0.0000 0.2731 ( 2371 PWs) bands (ev): -18.4065 -18.4064 -15.5680 -15.5672 -15.2509 -15.2498 -15.0740 -15.0726 -7.7946 -7.7944 -4.7029 -4.6993 -4.1144 -4.1102 -3.5337 -3.5267 -0.7579 -0.7519 0.5235 0.5253 0.7546 0.7565 1.0813 1.0928 1.2737 1.2860 1.7034 1.7130 2.5155 2.5207 2.6084 2.6142 11.1793 11.1800 11.8877 11.9013 13.1964 13.1980 13.6669 13.6787 k = 0.0000 0.0000 0.2875 ( 2367 PWs) bands (ev): -18.3866 -18.3865 -15.6019 -15.6011 -15.2540 -15.2529 -15.0790 -15.0776 -7.7510 -7.7508 -4.7304 -4.7269 -4.0867 -4.0824 -3.5117 -3.5046 -0.7746 -0.7683 0.5403 0.5422 0.7087 0.7100 1.0446 1.0553 1.2655 1.2771 1.7299 1.7397 2.5117 2.5173 2.6127 2.6188 11.2564 11.2572 11.9196 11.9339 13.1640 13.1656 13.6811 13.6936 k = 0.0000 0.0000 0.3018 ( 2365 PWs) bands (ev): -18.3658 -18.3657 -15.6368 -15.6361 -15.2571 -15.2559 -15.0841 -15.0827 -7.7059 -7.7057 -4.7587 -4.7552 -4.0581 -4.0536 -3.4898 -3.4825 -0.7914 -0.7848 0.5571 0.5591 0.6622 0.6630 1.0068 1.0168 1.2579 1.2688 1.7569 1.7668 2.5077 2.5136 2.6171 2.6234 11.3350 11.3358 11.9516 11.9665 13.1323 13.1338 13.6975 13.7107 k = 0.0000 0.0000 0.3162 ( 2373 PWs) bands (ev): -18.3442 -18.3441 -15.6727 -15.6720 -15.2603 -15.2590 -15.0894 -15.0879 -7.6593 -7.6591 -4.7878 -4.7843 -4.0287 -4.0239 -3.4680 -3.4604 -0.8080 -0.8012 0.5734 0.5755 0.6153 0.6157 0.9680 0.9773 1.2508 1.2611 1.7842 1.7943 2.5035 2.5096 2.6213 2.6278 11.4147 11.4157 11.9835 11.9990 13.1013 13.1029 13.7160 13.7300 k = 0.0000 0.0000 0.3306 ( 2375 PWs) bands (ev): -18.3217 -18.3217 -15.7095 -15.7088 -15.2634 -15.2622 -15.0947 -15.0933 -7.6113 -7.6111 -4.8176 -4.8142 -3.9985 -3.9935 -3.4463 -3.4386 -0.8245 -0.8173 0.5670 0.5683 0.5896 0.5918 0.9283 0.9372 1.2446 1.2544 1.8117 1.8220 2.4991 2.5055 2.6254 2.6321 11.4952 11.4965 12.0153 12.0314 13.0714 13.0730 13.7367 13.7513 k = 0.0000 0.0000 0.3450 ( 2379 PWs) bands (ev): -18.2985 -18.2985 -15.7470 -15.7464 -15.2666 -15.2653 -15.1002 -15.0987 -7.5620 -7.5618 -4.8482 -4.8448 -3.9676 -3.9624 -3.4250 -3.4171 -0.8405 -0.8331 0.5194 0.5211 0.6042 0.6065 0.8881 0.8967 1.2394 1.2487 1.8394 1.8499 2.4945 2.5011 2.6294 2.6363 11.5762 11.5777 12.0471 12.0636 13.0427 13.0443 13.7594 13.7746 k = 0.0000 0.0000 0.3593 ( 2375 PWs) bands (ev): -18.2746 -18.2745 -15.7852 -15.7846 -15.2697 -15.2684 -15.1057 -15.1042 -7.5115 -7.5113 -4.8795 -4.8762 -3.9361 -3.9307 -3.4040 -3.3960 -0.8560 -0.8484 0.4715 0.4739 0.6175 0.6200 0.8474 0.8559 1.2357 1.2446 1.8670 1.8778 2.4896 2.4965 2.6332 2.6403 11.6573 11.6589 12.0788 12.0957 13.0153 13.0169 13.7837 13.7995 k = 0.0000 0.0000 0.3737 ( 2369 PWs) bands (ev): -18.2500 -18.2499 -15.8240 -15.8234 -15.2729 -15.2715 -15.1112 -15.1097 -7.4598 -7.4596 -4.9117 -4.9085 -3.9040 -3.8984 -3.3835 -3.3753 -0.8709 -0.8630 0.4236 0.4268 0.6289 0.6316 0.8067 0.8153 1.2337 1.2421 1.8945 1.9056 2.4845 2.4917 2.6368 2.6441 11.7378 11.7397 12.1106 12.1278 12.9894 12.9911 13.8096 13.8259 k = 0.0000 0.0000 0.3881 ( 2369 PWs) bands (ev): -18.2247 -18.2246 -15.8633 -15.8628 -15.2760 -15.2746 -15.1167 -15.1152 -7.4071 -7.4069 -4.9447 -4.9415 -3.8716 -3.8658 -3.3635 -3.3552 -0.8850 -0.8768 0.3760 0.3800 0.6377 0.6409 0.7664 0.7754 1.2337 1.2416 1.9217 1.9331 2.4792 2.4867 2.6402 2.6476 11.8174 11.8196 12.1426 12.1600 12.9650 12.9668 13.8364 13.8533 k = 0.0000 0.0000 0.4024 ( 2369 PWs) bands (ev): -18.1988 -18.1987 -15.9030 -15.9025 -15.2790 -15.2777 -15.1223 -15.1207 -7.3533 -7.3531 -4.9784 -4.9754 -3.8389 -3.8328 -3.3442 -3.3358 -0.8980 -0.8896 0.3286 0.3335 0.6425 0.6468 0.7274 0.7373 1.2359 1.2434 1.9485 1.9602 2.4737 2.4816 2.6433 2.6508 11.8953 11.8979 12.1751 12.1926 12.9424 12.9443 13.8640 13.8813 k = 0.0000 0.0000 0.4168 ( 2373 PWs) bands (ev): -18.1723 -18.1722 -15.9431 -15.9425 -15.2820 -15.2806 -15.1278 -15.1262 -7.2987 -7.2985 -5.0130 -5.0100 -3.8059 -3.7997 -3.3257 -3.3171 -0.9100 -0.9014 0.2816 0.2874 0.6402 0.6461 0.6930 0.7040 1.2407 1.2477 1.9747 1.9867 2.4681 2.4763 2.6461 2.6538 11.9708 11.9738 12.2087 12.2260 12.9217 12.9238 13.8919 13.9095 k = 0.0000 0.0000 0.4312 ( 2369 PWs) bands (ev): -18.1453 -18.1453 -15.9833 -15.9828 -15.2849 -15.2835 -15.1332 -15.1317 -7.2432 -7.2431 -5.0484 -5.0455 -3.7729 -3.7665 -3.3080 -3.2993 -0.9208 -0.9119 0.2349 0.2416 0.6237 0.6292 0.6734 0.6822 1.2482 1.2548 2.0001 2.0125 2.4626 2.4711 2.6485 2.6563 12.0429 12.0464 12.2439 12.2607 12.9030 12.9052 13.9195 13.9374 k = 0.0000 0.0000 0.4456 ( 2369 PWs) bands (ev): -18.1180 -18.1179 -16.0236 -16.0231 -15.2877 -15.2864 -15.1386 -15.1371 -7.1870 -7.1869 -5.0847 -5.0819 -3.7399 -3.7332 -3.2913 -3.2825 -0.9301 -0.9210 0.1886 0.1962 0.5930 0.5985 0.6667 0.6719 1.2584 1.2645 2.0244 2.0372 2.4571 2.4659 2.6506 2.6585 12.1103 12.1144 12.2818 12.2976 12.8864 12.8888 13.9464 13.9644 k = 0.0000 0.0000 0.4599 ( 2369 PWs) bands (ev): -18.0902 -18.0901 -16.0639 -16.0635 -15.2905 -15.2891 -15.1439 -15.1424 -7.1302 -7.1300 -5.1218 -5.1192 -3.7070 -3.7002 -3.2756 -3.2666 -0.9379 -0.9285 0.1425 0.1511 0.5578 0.5644 0.6614 0.6647 1.2712 1.2769 2.0476 2.0607 2.4519 2.4610 2.6523 2.6603 12.1714 12.1764 12.3235 12.3375 12.8720 12.8746 13.9721 13.9902 k = 0.0000 0.0000 0.4743 ( 2359 PWs) bands (ev): -18.0621 -18.0621 -16.1041 -16.1037 -15.2931 -15.2918 -15.1490 -15.1476 -7.0727 -7.0726 -5.1599 -5.1573 -3.6743 -3.6673 -3.2610 -3.2519 -0.9440 -0.9344 0.0968 0.1062 0.5227 0.5302 0.6546 0.6569 1.2866 1.2919 2.0692 2.0826 2.4472 2.4566 2.6536 2.6616 12.2251 12.2315 12.3698 12.3813 12.8599 12.8627 13.9959 14.0140 k = 0.0000 0.0000 0.4887 ( 2357 PWs) bands (ev): -18.0339 -18.0338 -16.1440 -16.1436 -15.2956 -15.2943 -15.1541 -15.1526 -7.0148 -7.0146 -5.1988 -5.1963 -3.6420 -3.6349 -3.2475 -3.2384 -0.9483 -0.9385 0.0514 0.0616 0.4889 0.4972 0.6455 0.6472 1.3043 1.3092 2.0890 2.1026 2.4432 2.4529 2.6545 2.6625 12.2713 12.2794 12.4200 12.4288 12.8502 12.8532 14.0173 14.0354 k = 0.0000 0.0000 0.5031 ( 2365 PWs) bands (ev): -18.0056 -18.0055 -16.1835 -16.1831 -15.2980 -15.2967 -15.1589 -15.1575 -6.9565 -6.9563 -5.2386 -5.2362 -3.6102 -3.6029 -3.2353 -3.2261 -0.9507 -0.9407 0.0060 0.0170 0.4571 0.4661 0.6343 0.6357 1.3240 1.3285 2.1066 2.1204 2.4403 2.4500 2.6548 2.6628 12.3116 12.3212 12.4722 12.4785 12.8430 12.8462 14.0357 14.0537 k = 0.0000 0.0000 0.5174 ( 2367 PWs) bands (ev): -17.9773 -17.9772 -16.2225 -16.2221 -15.3003 -15.2990 -15.1636 -15.1623 -6.8978 -6.8976 -5.2794 -5.2771 -3.5790 -3.5715 -3.2245 -3.2151 -0.9511 -0.9409 -0.0392 -0.0275 0.4275 0.4371 0.6210 0.6225 1.3454 1.3496 2.1218 2.1356 2.4388 2.4485 2.6547 2.6627 12.3478 12.3584 12.5241 12.5285 12.8383 12.8418 14.0507 14.0685 k = 0.0000 0.0000 0.5318 ( 2367 PWs) bands (ev): -17.9492 -17.9491 -16.2607 -16.2604 -15.3025 -15.3012 -15.1681 -15.1668 -6.8389 -6.8387 -5.3211 -5.3189 -3.5485 -3.5407 -3.2149 -3.2056 -0.9493 -0.9389 -0.0843 -0.0720 0.4006 0.4106 0.6059 0.6076 1.3681 1.3720 2.1342 2.1477 2.4390 2.4485 2.6540 2.6619 12.3811 12.3923 12.5742 12.5770 12.8362 12.8400 14.0617 14.0792 k = 0.0000 0.0000 0.5462 ( 2367 PWs) bands (ev): -17.9213 -17.9212 -16.2981 -16.2978 -15.3045 -15.3033 -15.1724 -15.1711 -6.7798 -6.7796 -5.3637 -5.3616 -3.5187 -3.5108 -3.2068 -3.1974 -0.9453 -0.9347 -0.1294 -0.1166 0.3766 0.3868 0.5894 0.5914 1.3919 1.3955 2.1436 2.1566 2.4413 2.4503 2.6527 2.6606 12.4124 12.4238 12.6211 12.6226 12.8367 12.8409 14.0683 14.0854 k = 0.0000 0.0000 0.5605 ( 2365 PWs) bands (ev): -17.8940 -17.8939 -16.3344 -16.3341 -15.3063 -15.3052 -15.1765 -15.1752 -6.7207 -6.7205 -5.4072 -5.4053 -3.4898 -3.4818 -3.2001 -3.1907 -0.9390 -0.9282 -0.1744 -0.1612 0.3555 0.3660 0.5717 0.5741 1.4162 1.4196 2.1498 2.1621 2.4457 2.4541 2.6509 2.6587 12.4421 12.4534 12.6640 12.6647 12.8399 12.8443 14.0702 14.0868 k = 0.0000 0.0000 0.5749 ( 2365 PWs) bands (ev): -17.8672 -17.8672 -16.3694 -16.3692 -15.3080 -15.3070 -15.1803 -15.1791 -6.6615 -6.6613 -5.4517 -5.4498 -3.4619 -3.4537 -3.1949 -3.1855 -0.9304 -0.9194 -0.2192 -0.2058 0.3376 0.3481 0.5532 0.5559 1.4409 1.4440 2.1528 2.1643 2.4522 2.4598 2.6484 2.6562 12.4703 12.4812 12.7025 12.7026 12.8456 12.8503 14.0672 14.0831 k = 0.0000 0.0000 0.5893 ( 2356 PWs) bands (ev): -17.8414 -17.8413 -16.4029 -16.4027 -15.3096 -15.3086 -15.1838 -15.1827 -6.6025 -6.6023 -5.4970 -5.4953 -3.4351 -3.4268 -3.1912 -3.1817 -0.9193 -0.9082 -0.2639 -0.2503 0.3228 0.3332 0.5341 0.5371 1.4656 1.4685 2.1531 2.1634 2.4606 2.4674 2.6453 2.6530 12.4969 12.5074 12.7359 12.7364 12.8539 12.8588 14.0594 14.0746 k = 0.0000 0.0000 0.6037 ( 2352 PWs) bands (ev): -17.8167 -17.8166 -16.4346 -16.4344 -15.3110 -15.3101 -15.1870 -15.1860 -6.5437 -6.5435 -5.5432 -5.5415 -3.4094 -3.4010 -3.1891 -3.1795 -0.9059 -0.8945 -0.3083 -0.2946 0.3110 0.3213 0.5147 0.5180 1.4898 1.4925 2.1507 2.1600 2.4706 2.4766 2.6416 2.6491 12.5219 12.5318 12.7647 12.7655 12.8644 12.8695 14.0470 14.0613 k = 0.0000 0.0000 0.6180 ( 2348 PWs) bands (ev): -17.7933 -17.7933 -16.4642 -16.4640 -15.3122 -15.3114 -15.1899 -15.1890 -6.4853 -6.4850 -5.5902 -5.5886 -3.3850 -3.3764 -3.1884 -3.1789 -0.8900 -0.8785 -0.3523 -0.3385 0.3023 0.3123 0.4953 0.4989 1.5133 1.5158 2.1464 2.1545 2.4817 2.4870 2.6371 2.6445 12.5452 12.5543 12.7889 12.7899 12.8768 12.8820 14.0309 14.0442 k = 0.0000 0.0000 0.6324 ( 2352 PWs) bands (ev): -17.7716 -17.7716 -16.4915 -16.4913 -15.3133 -15.3126 -15.1926 -15.1918 -6.4273 -6.4270 -5.6378 -5.6364 -3.3618 -3.3531 -3.1893 -3.1798 -0.8717 -0.8600 -0.3958 -0.3820 0.2965 0.3061 0.4761 0.4799 1.5357 1.5379 2.1406 2.1476 2.4936 2.4983 2.6320 2.6392 12.5666 12.5748 12.8087 12.8099 12.8907 12.8958 14.0121 14.0241 k = 0.0000 0.0000 0.6468 ( 2352 PWs) bands (ev): -17.7519 -17.7519 -16.5161 -16.5160 -15.3143 -15.3136 -15.1949 -15.1942 -6.3701 -6.3697 -5.6861 -5.6848 -3.3400 -3.3312 -3.1918 -3.1823 -0.8510 -0.8392 -0.4385 -0.4248 0.2934 0.3024 0.4574 0.4615 1.5564 1.5584 2.1340 2.1398 2.5058 2.5103 2.6262 2.6332 12.5858 12.5931 12.8245 12.8257 12.9053 12.9102 13.9917 14.0024 k = 0.0000 0.0000 0.6612 ( 2352 PWs) bands (ev): -17.7345 -17.7344 -16.5377 -16.5376 -15.3151 -15.3145 -15.1968 -15.1962 -6.3138 -6.3134 -5.7347 -5.7335 -3.3195 -3.3106 -3.1958 -3.1863 -0.8281 -0.8162 -0.4803 -0.4667 0.2927 0.3011 0.4397 0.4440 1.5752 1.5769 2.1270 2.1318 2.5182 2.5226 2.6196 2.6264 12.6028 12.6090 12.8368 12.8380 12.9198 12.9244 13.9712 13.9805 k = 0.0000 0.0000 0.6755 ( 2348 PWs) bands (ev): -17.7197 -17.7196 -16.5559 -16.5558 -15.3157 -15.3152 -15.1984 -15.1979 -6.2589 -6.2584 -5.7832 -5.7821 -3.3004 -3.2914 -3.2013 -3.1919 -0.8031 -0.7910 -0.5208 -0.5075 0.2941 0.3017 0.4234 0.4276 1.5916 1.5930 2.1203 2.1241 2.5305 2.5349 2.6124 2.6189 12.6173 12.6224 12.8460 12.8471 12.9336 12.9375 13.9522 13.9598 k = 0.0000 0.0000 0.6899 ( 2348 PWs) bands (ev): -17.7078 -17.7077 -16.5704 -16.5704 -15.3162 -15.3158 -15.1996 -15.1993 -6.2064 -6.2059 -5.8308 -5.8298 -3.2828 -3.2737 -3.2084 -3.1990 -0.7761 -0.7641 -0.5598 -0.5469 0.2971 0.3036 0.4091 0.4131 1.6049 1.6060 2.1145 2.1173 2.5426 2.5471 2.6044 2.6107 12.6290 12.6329 12.8525 12.8534 12.9455 12.9488 13.9359 13.9418 k = 0.0000 0.0000 0.7043 ( 2348 PWs) bands (ev): -17.6990 -17.6990 -16.5811 -16.5810 -15.3165 -15.3162 -15.2005 -15.2003 -6.1581 -6.1577 -5.8753 -5.8745 -3.2667 -3.2575 -3.2170 -3.2076 -0.7478 -0.7362 -0.5964 -0.5841 0.3011 0.3060 0.3978 0.4010 1.6149 1.6157 2.1100 2.1119 2.5542 2.5590 2.5958 2.6018 12.6378 12.6405 12.8568 12.8575 12.9550 12.9573 13.9236 13.9276 k = 0.0000 0.0000 0.7187 ( 2348 PWs) bands (ev): -17.6937 -17.6937 -16.5875 -16.5875 -15.3166 -15.3165 -15.2010 -15.2009 -6.1196 -6.1192 -5.9116 -5.9111 -3.2520 -3.2428 -3.2271 -3.2178 -0.7198 -0.7101 -0.6275 -0.6176 0.3049 0.3076 0.3906 0.3925 1.6212 1.6216 2.1073 2.1083 2.5652 2.5702 2.5867 2.5923 12.6435 12.6449 12.8594 12.8597 12.9613 12.9624 13.9162 13.9182 k = 0.0000 0.0000 0.7330 ( 2348 PWs) bands (ev): -17.6919 -17.6919 -16.5897 -16.5897 -15.3167 -15.3167 -15.2011 -15.2011 -6.1030 -6.1030 -5.9269 -5.9269 -3.2388 -3.2388 -3.2295 -3.2295 -0.7003 -0.7003 -0.6390 -0.6390 0.3074 0.3074 0.3887 0.3887 1.6235 1.6235 2.1067 2.1067 2.5750 2.5750 2.5829 2.5829 12.6459 12.6459 12.8603 12.8603 12.9638 12.9638 13.9143 13.9143 k = 0.0000 0.0000 0.7330 ( 2348 PWs) bands (ev): -17.6919 -17.6919 -16.5897 -16.5897 -15.3167 -15.3167 -15.2011 -15.2011 -6.1030 -6.1030 -5.9269 -5.9269 -3.2388 -3.2388 -3.2295 -3.2295 -0.7003 -0.7003 -0.6390 -0.6390 0.3074 0.3074 0.3887 0.3887 1.6235 1.6235 2.1067 2.1067 2.5750 2.5750 2.5829 2.5829 12.6459 12.6459 12.8603 12.8603 12.9638 12.9638 13.9143 13.9143 k =-0.0095 0.0101 0.7330 ( 2346 PWs) bands (ev): -17.6919 -17.6919 -16.5897 -16.5895 -15.3167 -15.3167 -15.2014 -15.2011 -6.1025 -6.1025 -5.9266 -5.9261 -3.2409 -3.2376 -3.2314 -3.2283 -0.7019 -0.6998 -0.6400 -0.6380 0.3070 0.3080 0.3888 0.3893 1.6234 1.6236 2.1071 2.1073 2.5670 2.5719 2.5841 2.5895 12.6455 12.6463 12.8600 12.8602 12.9629 12.9642 13.9139 13.9145 k =-0.0189 0.0203 0.7330 ( 2346 PWs) bands (ev): -17.6920 -17.6920 -16.5896 -16.5892 -15.3168 -15.3167 -15.2019 -15.2013 -6.1010 -6.1008 -5.9251 -5.9243 -3.2436 -3.2373 -3.2338 -3.2277 -0.7045 -0.7005 -0.6409 -0.6370 0.3070 0.3088 0.3896 0.3906 1.6236 1.6240 2.1083 2.1087 2.5567 2.5617 2.5895 2.5954 12.6450 12.6467 12.8593 12.8597 12.9614 12.9639 13.9132 13.9143 k =-0.0284 0.0304 0.7330 ( 2350 PWs) bands (ev): -17.6921 -17.6921 -16.5894 -16.5888 -15.3169 -15.3169 -15.2027 -15.2018 -6.0983 -6.0981 -5.9226 -5.9213 -3.2471 -3.2389 -3.2357 -3.2279 -0.7081 -0.7023 -0.6418 -0.6362 0.3073 0.3099 0.3910 0.3925 1.6239 1.6245 2.1104 2.1110 2.5448 2.5496 2.5936 2.5998 12.6445 12.6470 12.8582 12.8588 12.9595 12.9632 13.9121 13.9137 k =-0.0378 0.0406 0.7330 ( 2350 PWs) bands (ev): -17.6922 -17.6922 -16.5891 -16.5882 -15.3171 -15.3170 -15.2037 -15.2025 -6.0946 -6.0943 -5.9189 -5.9172 -3.2512 -3.2426 -3.2368 -3.2288 -0.7125 -0.7052 -0.6426 -0.6355 0.3078 0.3113 0.3930 0.3950 1.6244 1.6252 2.1134 2.1142 2.5312 2.5358 2.5964 2.6028 12.6439 12.6471 12.8567 12.8574 12.9574 12.9622 13.9107 13.9128 k =-0.0473 0.0507 0.7330 ( 2350 PWs) bands (ev): -17.6924 -17.6923 -16.5886 -16.5875 -15.3173 -15.3172 -15.2050 -15.2035 -6.0899 -6.0895 -5.9142 -5.9120 -3.2560 -3.2473 -3.2383 -3.2304 -0.7175 -0.7090 -0.6433 -0.6351 0.3087 0.3129 0.3956 0.3981 1.6249 1.6259 2.1171 2.1181 2.5161 2.5204 2.5979 2.6045 12.6429 12.6469 12.8548 12.8556 12.9551 12.9611 13.9087 13.9113 k =-0.0567 0.0608 0.7330 ( 2350 PWs) bands (ev): -17.6925 -17.6925 -16.5880 -16.5867 -15.3176 -15.3175 -15.2065 -15.2047 -6.0841 -6.0836 -5.9084 -5.9058 -3.2615 -3.2528 -3.2404 -3.2327 -0.7231 -0.7135 -0.6441 -0.6349 0.3098 0.3148 0.3987 0.4016 1.6255 1.6267 2.1217 2.1227 2.4995 2.5034 2.5980 2.6049 12.6416 12.6463 12.8525 12.8534 12.9532 12.9601 13.9062 13.9092 k =-0.0662 0.0710 0.7330 ( 2346 PWs) bands (ev): -17.6928 -17.6927 -16.5872 -16.5858 -15.3179 -15.3177 -15.2082 -15.2062 -6.0774 -6.0768 -5.9016 -5.8985 -3.2676 -3.2590 -3.2430 -3.2356 -0.7291 -0.7187 -0.6449 -0.6349 0.3112 0.3169 0.4022 0.4054 1.6261 1.6275 2.1270 2.1280 2.4813 2.4848 2.5970 2.6041 12.6397 12.6450 12.8497 12.8505 12.9518 12.9596 13.9030 13.9064 k =-0.0757 0.0811 0.7330 ( 2350 PWs) bands (ev): -17.6930 -17.6930 -16.5864 -16.5847 -15.3182 -15.3180 -15.2102 -15.2078 -6.0697 -6.0691 -5.8938 -5.8903 -3.2743 -3.2658 -3.2463 -3.2391 -0.7355 -0.7243 -0.6457 -0.6351 0.3130 0.3192 0.4060 0.4096 1.6265 1.6281 2.1328 2.1338 2.4618 2.4649 2.5948 2.6021 12.6370 12.6429 12.8460 12.8471 12.9514 12.9599 13.8989 13.9027 k =-0.0851 0.0913 0.7330 ( 2350 PWs) bands (ev): -17.6933 -17.6933 -16.5854 -16.5836 -15.3185 -15.3184 -15.2123 -15.2097 -6.0612 -6.0604 -5.8850 -5.8812 -3.2815 -3.2732 -3.2501 -3.2432 -0.7420 -0.7303 -0.6466 -0.6355 0.3149 0.3217 0.4100 0.4140 1.6268 1.6286 2.1391 2.1400 2.4410 2.4435 2.5916 2.5992 12.6336 12.6399 12.8415 12.8429 12.9523 12.9613 13.8940 13.8981 k =-0.0946 0.1014 0.7330 ( 2358 PWs) bands (ev): -17.6937 -17.6936 -16.5844 -16.5823 -15.3189 -15.3187 -15.2147 -15.2118 -6.0518 -6.0510 -5.8754 -5.8711 -3.2892 -3.2811 -3.2544 -3.2479 -0.7486 -0.7364 -0.6475 -0.6359 0.3171 0.3243 0.4142 0.4185 1.6267 1.6287 2.1457 2.1464 2.4191 2.4210 2.5875 2.5953 12.6293 12.6360 12.8359 12.8379 12.9549 12.9643 13.8880 13.8924 k =-0.1040 0.1115 0.7330 ( 2358 PWs) bands (ev): -17.6940 -17.6940 -16.5832 -16.5810 -15.3193 -15.3191 -15.2172 -15.2141 -6.0415 -6.0407 -5.8648 -5.8602 -3.2974 -3.2895 -3.2593 -3.2531 -0.7552 -0.7426 -0.6483 -0.6364 0.3195 0.3272 0.4185 0.4231 1.6263 1.6285 2.1521 2.1527 2.3965 2.3976 2.5826 2.5906 12.6242 12.6310 12.8292 12.8320 12.9594 12.9689 13.8809 13.8856 k =-0.1135 0.1217 0.7330 ( 2352 PWs) bands (ev): -17.6944 -17.6944 -16.5819 -16.5795 -15.3197 -15.3195 -15.2199 -15.2165 -6.0306 -6.0296 -5.8535 -5.8484 -3.3060 -3.2983 -3.2646 -3.2587 -0.7616 -0.7487 -0.6490 -0.6369 0.3221 0.3301 0.4228 0.4276 1.6253 1.6277 2.1576 2.1587 2.3734 2.3740 2.5771 2.5854 12.6183 12.6252 12.8215 12.8251 12.9658 12.9754 13.8726 13.8775 k =-0.1229 0.1318 0.7330 ( 2354 PWs) bands (ev): -17.6949 -17.6948 -16.5806 -16.5780 -15.3202 -15.3199 -15.2228 -15.2192 -6.0190 -6.0179 -5.8414 -5.8360 -3.3150 -3.3074 -3.2704 -3.2648 -0.7678 -0.7547 -0.6496 -0.6372 0.3248 0.3331 0.4271 0.4321 1.6236 1.6262 2.1613 2.1635 2.3500 2.3518 2.5711 2.5796 12.6116 12.6185 12.8128 12.8172 12.9741 12.9837 13.8630 13.8682 k =-0.1324 0.1419 0.7330 ( 2346 PWs) bands (ev): -17.6954 -17.6953 -16.5791 -16.5764 -15.3206 -15.3203 -15.2258 -15.2219 -6.0067 -6.0056 -5.8286 -5.8228 -3.3242 -3.3168 -3.2766 -3.2713 -0.7736 -0.7603 -0.6498 -0.6373 0.3276 0.3362 0.4312 0.4364 1.6211 1.6239 2.1618 2.1657 2.3281 2.3319 2.5648 2.5735 12.6044 12.6112 12.8032 12.8084 12.9842 12.9936 13.8521 13.8575 k =-0.1419 0.1521 0.7330 ( 2350 PWs) bands (ev): -17.6959 -17.6958 -16.5776 -16.5747 -15.3210 -15.3207 -15.2289 -15.2248 -5.9939 -5.9928 -5.8152 -5.8091 -3.3336 -3.3265 -3.2831 -3.2781 -0.7790 -0.7655 -0.6498 -0.6371 0.3304 0.3392 0.4351 0.4404 1.6176 1.6206 2.1572 2.1632 2.3100 2.3160 2.5582 2.5672 12.5967 12.6034 12.7929 12.7988 12.9958 13.0051 13.8399 13.8455 k =-0.1513 0.1622 0.7330 ( 2342 PWs) bands (ev): -17.6964 -17.6963 -16.5760 -16.5730 -15.3214 -15.3211 -15.2321 -15.2279 -5.9807 -5.9795 -5.8012 -5.7948 -3.3432 -3.3362 -3.2900 -3.2852 -0.7838 -0.7702 -0.6493 -0.6365 0.3333 0.3423 0.4388 0.4443 1.6129 1.6161 2.1456 2.1533 2.2982 2.3061 2.5517 2.5609 12.5888 12.5952 12.7820 12.7886 13.0088 13.0178 13.8264 13.8321 k =-0.1608 0.1724 0.7330 ( 2346 PWs) bands (ev): -17.6970 -17.6969 -16.5744 -16.5712 -15.3218 -15.3215 -15.2355 -15.2310 -5.9671 -5.9657 -5.7868 -5.7800 -3.3529 -3.3461 -3.2971 -3.2926 -0.7881 -0.7743 -0.6483 -0.6355 0.3361 0.3452 0.4423 0.4478 1.6069 1.6103 2.1263 2.1351 2.2939 2.3029 2.5454 2.5547 12.5807 12.5870 12.7706 12.7778 13.0229 13.0317 13.8114 13.8173 k =-0.1702 0.1825 0.7330 ( 2350 PWs) bands (ev): -17.6976 -17.6976 -16.5727 -16.5694 -15.3221 -15.3218 -15.2389 -15.2343 -5.9531 -5.9517 -5.7719 -5.7648 -3.3626 -3.3559 -3.3045 -3.3001 -0.7916 -0.7778 -0.6468 -0.6339 0.3389 0.3481 0.4454 0.4510 1.5994 1.6030 2.1003 2.1093 2.2960 2.3054 2.5394 2.5489 12.5727 12.5787 12.7590 12.7668 13.0378 13.0464 13.7952 13.8012 k =-0.1797 0.1926 0.7330 ( 2346 PWs) bands (ev): -17.6983 -17.6982 -16.5709 -16.5675 -15.3225 -15.3221 -15.2424 -15.2376 -5.9389 -5.9375 -5.7566 -5.7493 -3.3721 -3.3657 -3.3120 -3.3078 -0.7944 -0.7805 -0.6446 -0.6316 0.3415 0.3508 0.4482 0.4538 1.5902 1.5940 2.0692 2.0780 2.3026 2.3120 2.5339 2.5436 12.5650 12.5708 12.7473 12.7555 13.0533 13.0616 13.7777 13.7838 k =-0.1892 0.2028 0.7330 ( 2342 PWs) bands (ev): -17.6990 -17.6989 -16.5691 -16.5656 -15.3228 -15.3224 -15.2459 -15.2410 -5.9246 -5.9231 -5.7411 -5.7335 -3.3816 -3.3753 -3.3197 -3.3155 -0.7963 -0.7823 -0.6417 -0.6287 0.3441 0.3534 0.4506 0.4562 1.5792 1.5832 2.0343 2.0428 2.3122 2.3213 2.5291 2.5389 12.5576 12.5632 12.7355 12.7441 13.0691 13.0772 13.7589 13.7652 k =-0.1986 0.2129 0.7330 ( 2342 PWs) bands (ev): -17.6997 -17.6996 -16.5673 -16.5637 -15.3230 -15.3227 -15.2494 -15.2445 -5.9102 -5.9087 -5.7254 -5.7175 -3.3908 -3.3846 -3.3274 -3.3233 -0.7973 -0.7833 -0.6379 -0.6249 0.3465 0.3559 0.4526 0.4582 1.5662 1.5705 1.9965 2.0047 2.3237 2.3325 2.5250 2.5350 12.5508 12.5562 12.7238 12.7329 13.0850 13.0929 13.7389 13.7453 k =-0.2081 0.2231 0.7330 ( 2346 PWs) bands (ev): -17.7005 -17.7004 -16.5655 -16.5618 -15.3233 -15.3229 -15.2530 -15.2479 -5.8959 -5.8943 -5.7095 -5.7014 -3.3997 -3.3936 -3.3352 -3.3311 -0.7974 -0.7833 -0.6334 -0.6203 0.3487 0.3581 0.4542 0.4598 1.5512 1.5556 1.9565 1.9644 2.3364 2.3450 2.5219 2.5319 12.5447 12.5499 12.7125 12.7219 13.1007 13.1084 13.7179 13.7243 k =-0.2175 0.2332 0.7330 ( 2346 PWs) bands (ev): -17.7013 -17.7012 -16.5637 -16.5599 -15.3235 -15.3231 -15.2566 -15.2514 -5.8816 -5.8800 -5.6936 -5.6853 -3.4082 -3.4023 -3.3429 -3.3388 -0.7964 -0.7823 -0.6278 -0.6148 0.3508 0.3601 0.4554 0.4609 1.5340 1.5387 1.9146 1.9222 2.3500 2.3583 2.5198 2.5299 12.5393 12.5444 12.7015 12.7112 13.1159 13.1235 13.6958 13.7023 k =-0.2175 0.2332 0.7330 ( 2346 PWs) bands (ev): -17.7013 -17.7012 -16.5637 -16.5599 -15.3235 -15.3231 -15.2566 -15.2514 -5.8816 -5.8800 -5.6936 -5.6853 -3.4082 -3.4023 -3.3429 -3.3388 -0.7964 -0.7823 -0.6278 -0.6148 0.3508 0.3601 0.4554 0.4609 1.5340 1.5387 1.9146 1.9222 2.3500 2.3583 2.5198 2.5299 12.5393 12.5444 12.7015 12.7112 13.1159 13.1235 13.6958 13.7023 k =-0.2242 0.2404 0.7232 ( 2338 PWs) bands (ev): -17.7023 -17.7022 -16.5619 -16.5581 -15.3215 -15.3210 -15.2610 -15.2558 -5.8822 -5.8805 -5.6709 -5.6627 -3.4159 -3.4118 -3.3474 -3.3428 -0.8057 -0.7918 -0.6118 -0.5985 0.3651 0.3733 0.4431 0.4487 1.5150 1.5198 1.8909 1.8983 2.3629 2.3715 2.5151 2.5254 12.5345 12.5397 12.6818 12.6909 13.1294 13.1366 13.6905 13.6976 k =-0.2310 0.2476 0.7133 ( 2334 PWs) bands (ev): -17.7042 -17.7041 -16.5592 -16.5554 -15.3193 -15.3188 -15.2653 -15.2601 -5.8920 -5.8900 -5.6394 -5.6314 -3.4290 -3.4248 -3.3489 -3.3424 -0.8154 -0.8020 -0.5930 -0.5799 0.3788 0.3851 0.4322 0.4387 1.4953 1.5003 1.8661 1.8735 2.3748 2.3839 2.5113 2.5219 12.5241 12.5299 12.6662 12.6746 13.1436 13.1505 13.6870 13.6945 k =-0.2377 0.2548 0.7034 ( 2337 PWs) bands (ev): -17.7068 -17.7067 -16.5557 -16.5518 -15.3170 -15.3164 -15.2696 -15.2644 -5.9070 -5.9046 -5.6032 -5.5955 -3.4454 -3.4406 -3.3479 -3.3399 -0.8252 -0.8123 -0.5723 -0.5594 0.3869 0.3916 0.4262 0.4359 1.4753 1.4804 1.8404 1.8477 2.3854 2.3951 2.5087 2.5196 12.5083 12.5148 12.6550 12.6628 13.1583 13.1649 13.6849 13.6928 k =-0.2444 0.2620 0.6936 ( 2337 PWs) bands (ev): -17.7099 -17.7099 -16.5515 -16.5476 -15.3145 -15.3139 -15.2737 -15.2686 -5.9245 -5.9219 -5.5649 -5.5573 -3.4635 -3.4584 -3.3454 -3.3364 -0.8347 -0.8224 -0.5501 -0.5376 0.3825 0.3881 0.4325 0.4444 1.4552 1.4604 1.8140 1.8213 2.3942 2.4047 2.5075 2.5187 12.4883 12.4954 12.6478 12.6551 13.1734 13.1796 13.6841 13.6922 k =-0.2512 0.2692 0.6837 ( 2339 PWs) bands (ev): -17.7136 -17.7135 -16.5467 -16.5428 -15.3119 -15.3112 -15.2777 -15.2727 -5.9432 -5.9403 -5.5259 -5.5185 -3.4826 -3.4773 -3.3421 -3.3324 -0.8437 -0.8320 -0.5268 -0.5146 0.3709 0.3764 0.4478 0.4596 1.4352 1.4405 1.7870 1.7942 2.4011 2.4122 2.5080 2.5192 12.4656 12.4732 12.6432 12.6503 13.1886 13.1945 13.6842 13.6925 k =-0.2579 0.2765 0.6739 ( 2335 PWs) bands (ev): -17.7177 -17.7176 -16.5416 -16.5377 -15.3092 -15.3084 -15.2816 -15.2766 -5.9621 -5.9591 -5.4871 -5.4798 -3.5023 -3.4969 -3.3383 -3.3282 -0.8521 -0.8409 -0.5025 -0.4907 0.3566 0.3617 0.4664 0.4777 1.4156 1.4210 1.7596 1.7668 2.4061 2.4177 2.5101 2.5212 12.4416 12.4496 12.6405 12.6475 13.2038 13.2093 13.6850 13.6933 k =-0.2646 0.2837 0.6640 ( 2337 PWs) bands (ev): -17.7220 -17.7219 -16.5362 -16.5323 -15.3066 -15.3057 -15.2852 -15.2805 -5.9810 -5.9779 -5.4490 -5.4418 -3.5221 -3.5169 -3.3345 -3.3241 -0.8598 -0.8491 -0.4775 -0.4661 0.3409 0.3456 0.4863 0.4972 1.3966 1.4020 1.7318 1.7390 2.4093 2.4210 2.5138 2.5246 12.4172 12.4255 12.6389 12.6460 13.2189 13.2240 13.6862 13.6945 k =-0.2713 0.2909 0.6541 ( 2341 PWs) bands (ev): -17.7264 -17.7264 -16.5306 -16.5267 -15.3041 -15.3029 -15.2884 -15.2840 -5.9994 -5.9961 -5.4120 -5.4049 -3.5418 -3.5369 -3.3306 -3.3200 -0.8668 -0.8565 -0.4519 -0.4409 0.3242 0.3285 0.5070 0.5176 1.3784 1.3838 1.7038 1.7110 2.4109 2.4225 2.5188 2.5289 12.3933 12.4017 12.6381 12.6454 13.2337 13.2384 13.6874 13.6957 k =-0.2781 0.2981 0.6443 ( 2343 PWs) bands (ev): -17.7310 -17.7309 -16.5250 -16.5211 -15.3025 -15.3003 -15.2909 -15.2870 -6.0170 -6.0137 -5.3765 -5.3694 -3.5613 -3.5566 -3.3269 -3.3160 -0.8730 -0.8632 -0.4260 -0.4154 0.3066 0.3105 0.5282 0.5385 1.3613 1.3666 1.6757 1.6830 2.4112 2.4227 2.5245 2.5338 12.3702 12.3788 12.6379 12.6454 13.2481 13.2525 13.6885 13.6966 k =-0.2848 0.3053 0.6344 ( 2345 PWs) bands (ev): -17.7354 -17.7354 -16.5195 -16.5156 -15.3025 -15.2985 -15.2921 -15.2887 -6.0337 -6.0304 -5.3426 -5.3356 -3.5803 -3.5759 -3.3232 -3.3122 -0.8785 -0.8691 -0.3998 -0.3896 0.2882 0.2918 0.5496 0.5597 1.3453 1.3506 1.6477 1.6551 2.4107 2.4218 2.5307 2.5391 12.3485 12.3571 12.6381 12.6458 13.2621 13.2662 13.6891 13.6970 k =-0.2915 0.3125 0.6246 ( 2349 PWs) bands (ev): -17.7398 -17.7398 -16.5141 -16.5102 -15.3041 -15.2988 -15.2915 -15.2880 -6.0494 -6.0460 -5.3107 -5.3038 -3.5985 -3.5946 -3.3198 -3.3087 -0.8833 -0.8742 -0.3735 -0.3638 0.2691 0.2722 0.5711 0.5809 1.3309 1.3360 1.6200 1.6275 2.4096 2.4204 2.5368 2.5444 12.3282 12.3369 12.6388 12.6467 13.2756 13.2795 13.6890 13.6967 k =-0.2982 0.3197 0.6147 ( 2349 PWs) bands (ev): -17.7440 -17.7439 -16.5090 -16.5051 -15.3067 -15.3012 -15.2892 -15.2859 -6.0639 -6.0605 -5.2810 -5.2742 -3.6158 -3.6123 -3.3166 -3.3054 -0.8873 -0.8786 -0.3474 -0.3381 0.2494 0.2520 0.5924 0.6021 1.3180 1.3230 1.5927 1.6003 2.4080 2.4185 2.5428 2.5495 12.3098 12.3185 12.6398 12.6478 13.2886 13.2923 13.6880 13.6954 k =-0.3050 0.3269 0.6048 ( 2348 PWs) bands (ev): -17.7479 -17.7478 -16.5042 -16.5004 -15.3095 -15.3040 -15.2866 -15.2833 -6.0770 -6.0736 -5.2538 -5.2470 -3.6319 -3.6289 -3.3137 -3.3024 -0.8906 -0.8822 -0.3217 -0.3129 0.2291 0.2312 0.6133 0.6229 1.3068 1.3117 1.5660 1.5738 2.4063 2.4164 2.5485 2.5544 12.2933 12.3020 12.6411 12.6494 13.3011 13.3046 13.6859 13.6931 k =-0.3117 0.3341 0.5950 ( 2350 PWs) bands (ev): -17.7515 -17.7514 -16.4998 -16.4960 -15.3123 -15.3070 -15.2838 -15.2805 -6.0888 -6.0854 -5.2293 -5.2226 -3.6466 -3.6441 -3.3110 -3.2997 -0.8932 -0.8851 -0.2967 -0.2885 0.2085 0.2100 0.6337 0.6431 1.2975 1.3023 1.5402 1.5482 2.4044 2.4142 2.5536 2.5588 12.2788 12.2875 12.6428 12.6512 13.3130 13.3164 13.6825 13.6894 k =-0.3184 0.3414 0.5851 ( 2348 PWs) bands (ev): -17.7547 -17.7546 -16.4959 -16.4921 -15.3151 -15.3099 -15.2810 -15.2777 -6.0991 -6.0957 -5.2077 -5.2011 -3.6596 -3.6578 -3.3087 -3.2973 -0.8951 -0.8872 -0.2727 -0.2652 0.1879 0.1887 0.6532 0.6624 1.2902 1.2949 1.5156 1.5238 2.4025 2.4120 2.5583 2.5628 12.2665 12.2752 12.6449 12.6534 13.3244 13.3277 13.6777 13.6843 k =-0.3251 0.3486 0.5753 ( 2344 PWs) bands (ev): -17.7575 -17.7574 -16.4925 -16.4887 -15.3177 -15.3127 -15.2784 -15.2749 -6.1078 -6.1044 -5.1893 -5.1828 -3.6709 -3.6695 -3.3067 -3.2953 -0.8963 -0.8886 -0.2504 -0.2435 0.1677 0.1678 0.6716 0.6807 1.2849 1.2896 1.4923 1.5008 2.4007 2.4098 2.5624 2.5663 12.2564 12.2650 12.6472 12.6559 13.3353 13.3385 13.6714 13.6776 k =-0.3319 0.3558 0.5654 ( 2341 PWs) bands (ev): -17.7598 -17.7598 -16.4896 -16.4858 -15.3203 -15.3154 -15.2758 -15.2722 -6.1149 -6.1115 -5.1742 -5.1678 -3.6802 -3.6791 -3.3050 -3.2936 -0.8967 -0.8892 -0.2302 -0.2242 0.1476 0.1485 0.6885 0.6975 1.2816 1.2863 1.4708 1.4796 2.3989 2.4078 2.5660 2.5693 12.2485 12.2572 12.6499 12.6587 13.3457 13.3490 13.6633 13.6692 k =-0.3386 0.3630 0.5555 ( 2342 PWs) bands (ev): -17.7617 -17.7616 -16.4873 -16.4835 -15.3227 -15.3180 -15.2734 -15.2697 -6.1204 -6.1170 -5.1626 -5.1563 -3.6876 -3.6864 -3.3036 -3.2923 -0.8966 -0.8892 -0.2130 -0.2081 0.1291 0.1312 0.7038 0.7125 1.2804 1.2852 1.4515 1.4606 2.3973 2.4059 2.5689 2.5718 12.2430 12.2516 12.6529 12.6618 13.3557 13.3590 13.6535 13.6590 k =-0.3453 0.3702 0.5457 ( 2344 PWs) bands (ev): -17.7630 -17.7630 -16.4856 -16.4818 -15.3249 -15.3204 -15.2712 -15.2673 -6.1242 -6.1207 -5.1547 -5.1485 -3.6929 -3.6912 -3.3027 -3.2914 -0.8957 -0.8885 -0.2000 -0.1963 0.1133 0.1168 0.7169 0.7255 1.2811 1.2860 1.4348 1.4442 2.3958 2.4041 2.5713 2.5738 12.2399 12.2484 12.6561 12.6651 13.3653 13.3687 13.6420 13.6471 k =-0.3520 0.3774 0.5358 ( 2340 PWs) bands (ev): -17.7638 -17.7638 -16.4846 -16.4808 -15.3270 -15.3227 -15.2692 -15.2651 -6.1262 -6.1227 -5.1506 -5.1444 -3.6958 -3.6934 -3.3021 -3.2908 -0.8942 -0.8871 -0.1924 -0.1898 0.1014 0.1064 0.7277 0.7360 1.2838 1.2887 1.4212 1.4308 2.3944 2.4025 2.5731 2.5753 12.2390 12.2474 12.6596 12.6688 13.3745 13.3781 13.6286 13.6333 k =-0.3588 0.3846 0.5260 ( 2343 PWs) bands (ev): -17.7641 -17.7641 -16.4841 -16.4804 -15.3289 -15.3248 -15.2673 -15.2631 -6.1265 -6.1230 -5.1503 -5.1442 -3.6962 -3.6932 -3.3019 -3.2906 -0.8920 -0.8850 -0.1913 -0.1894 0.0944 0.1010 0.7357 0.7437 1.2882 1.2931 1.4112 1.4209 2.3932 2.4010 2.5743 2.5764 12.2404 12.2488 12.6634 12.6726 13.3834 13.3872 13.6133 13.6176 k =-0.3588 0.3846 0.5260 ( 2343 PWs) bands (ev): -17.7641 -17.7641 -16.4841 -16.4804 -15.3289 -15.3248 -15.2673 -15.2631 -6.1265 -6.1230 -5.1503 -5.1442 -3.6962 -3.6932 -3.3019 -3.2906 -0.8920 -0.8850 -0.1913 -0.1894 0.0944 0.1010 0.7357 0.7437 1.2882 1.2931 1.4112 1.4209 2.3932 2.4010 2.5743 2.5764 12.2404 12.2488 12.6634 12.6726 13.3834 13.3872 13.6133 13.6176 k =-0.3519 0.3772 0.5158 ( 2347 PWs) bands (ev): -17.7735 -17.7734 -16.4735 -16.4697 -15.3284 -15.3242 -15.2626 -15.2582 -6.1731 -6.1696 -5.1207 -5.1145 -3.7185 -3.7154 -3.2940 -3.2826 -0.9088 -0.9018 -0.2064 -0.2047 0.1203 0.1267 0.7441 0.7523 1.3167 1.3216 1.4630 1.4727 2.3678 2.3758 2.5675 2.5696 12.2042 12.2128 12.6660 12.6752 13.4150 13.4187 13.6418 13.6461 k =-0.3450 0.3698 0.5057 ( 2343 PWs) bands (ev): -17.7840 -17.7839 -16.4615 -16.4576 -15.3277 -15.3235 -15.2577 -15.2532 -6.2211 -6.2176 -5.0910 -5.0846 -3.7413 -3.7380 -3.2866 -3.2750 -0.9233 -0.9163 -0.2196 -0.2180 0.1472 0.1534 0.7524 0.7609 1.3417 1.3465 1.5157 1.5251 2.3420 2.3502 2.5608 2.5629 12.1686 12.1775 12.6692 12.6783 13.4456 13.4492 13.6681 13.6724 k =-0.3381 0.3624 0.4956 ( 2343 PWs) bands (ev): -17.7956 -17.7956 -16.4480 -16.4441 -15.3268 -15.3225 -15.2526 -15.2479 -6.2701 -6.2666 -5.0612 -5.0548 -3.7644 -3.7610 -3.2798 -3.2681 -0.9356 -0.9285 -0.2305 -0.2292 0.1749 0.1809 0.7607 0.7693 1.3638 1.3685 1.5682 1.5774 2.3158 2.3241 2.5542 2.5563 12.1338 12.1429 12.6729 12.6819 13.4747 13.4780 13.6922 13.6964 k =-0.3312 0.3550 0.4855 ( 2343 PWs) bands (ev): -17.8084 -17.8084 -16.4330 -16.4291 -15.3257 -15.3214 -15.2473 -15.2425 -6.3201 -6.3166 -5.0315 -5.0250 -3.7879 -3.7843 -3.2736 -3.2618 -0.9457 -0.9385 -0.2392 -0.2380 0.2033 0.2091 0.7688 0.7777 1.3832 1.3880 1.6198 1.6289 2.2896 2.2980 2.5479 2.5500 12.0997 12.1091 12.6770 12.6858 13.5013 13.5044 13.7138 13.7180 k =-0.3243 0.3476 0.4754 ( 2347 PWs) bands (ev): -17.8224 -17.8223 -16.4165 -16.4126 -15.3244 -15.3200 -15.2419 -15.2370 -6.3710 -6.3676 -5.0022 -4.9956 -3.8116 -3.8079 -3.2681 -3.2563 -0.9536 -0.9464 -0.2454 -0.2444 0.2323 0.2379 0.7767 0.7859 1.4002 1.4050 1.6701 1.6790 2.2637 2.2722 2.5418 2.5439 12.0666 12.0763 12.6814 12.6901 13.5246 13.5274 13.7330 13.7372 k =-0.3174 0.3402 0.4653 ( 2359 PWs) bands (ev): -17.8374 -17.8374 -16.3986 -16.3946 -15.3229 -15.3185 -15.2364 -15.2314 -6.4227 -6.4193 -4.9732 -4.9666 -3.8355 -3.8317 -3.2634 -3.2515 -0.9595 -0.9521 -0.2491 -0.2483 0.2618 0.2672 0.7845 0.7939 1.4147 1.4196 1.7187 1.7273 2.2384 2.2469 2.5362 2.5382 12.0344 12.0444 12.6860 12.6946 13.5435 13.5461 13.7497 13.7539 k =-0.3105 0.3328 0.4552 ( 2359 PWs) bands (ev): -17.8536 -17.8535 -16.3791 -16.3752 -15.3211 -15.3167 -15.2307 -15.2256 -6.4750 -6.4717 -4.9448 -4.9382 -3.8596 -3.8556 -3.2595 -3.2476 -0.9633 -0.9559 -0.2501 -0.2495 0.2918 0.2970 0.7920 0.8016 1.4268 1.4319 1.7650 1.7733 2.2143 2.2227 2.5310 2.5330 12.0034 12.0136 12.6908 12.6993 13.5570 13.5592 13.7639 13.7682 k =-0.3036 0.3254 0.4450 ( 2359 PWs) bands (ev): -17.8708 -17.8707 -16.3582 -16.3543 -15.3192 -15.3148 -15.2249 -15.2197 -6.5279 -6.5247 -4.9170 -4.9103 -3.8837 -3.8796 -3.2565 -3.2445 -0.9653 -0.9577 -0.2482 -0.2478 0.3220 0.3271 0.7992 0.8091 1.4365 1.4418 1.8083 1.8163 2.1922 2.2002 2.5263 2.5282 11.9733 11.9839 12.6957 12.7040 13.5639 13.5658 13.7759 13.7801 k =-0.2967 0.3180 0.4349 ( 2355 PWs) bands (ev): -17.8889 -17.8888 -16.3359 -16.3320 -15.3171 -15.3127 -15.2190 -15.2136 -6.5813 -6.5782 -4.8900 -4.8833 -3.9077 -3.9036 -3.2544 -3.2424 -0.9655 -0.9578 -0.2434 -0.2430 0.3524 0.3574 0.8060 0.8162 1.4438 1.4493 1.8478 1.8551 2.1730 2.1805 2.5222 2.5241 11.9443 11.9552 12.7006 12.7089 13.5631 13.5646 13.7856 13.7899 k =-0.2898 0.3106 0.4248 ( 2351 PWs) bands (ev): -17.9079 -17.9078 -16.3122 -16.3083 -15.3148 -15.3104 -15.2129 -15.2075 -6.6351 -6.6321 -4.8637 -4.8570 -3.9318 -3.9275 -3.2533 -3.2413 -0.9641 -0.9563 -0.2356 -0.2352 0.3829 0.3878 0.8125 0.8230 1.4487 1.4545 1.8822 1.8885 2.1582 2.1647 2.5188 2.5205 11.9164 11.9275 12.7056 12.7137 13.5537 13.5549 13.7933 13.7976 k =-0.2829 0.3033 0.4147 ( 2349 PWs) bands (ev): -17.9278 -17.9277 -16.2872 -16.2833 -15.3123 -15.3080 -15.2068 -15.2013 -6.6893 -6.6864 -4.8383 -4.8316 -3.9556 -3.9512 -3.2532 -3.2413 -0.9612 -0.9533 -0.2247 -0.2241 0.4132 0.4181 0.8185 0.8294 1.4514 1.4573 1.9095 1.9143 2.1499 2.1548 2.5161 2.5177 11.8893 11.9006 12.7106 12.7186 13.5351 13.5360 13.7991 13.8033 k =-0.2760 0.2959 0.4046 ( 2353 PWs) bands (ev): -17.9483 -17.9483 -16.2609 -16.2570 -15.3097 -15.3054 -15.2006 -15.1951 -6.7436 -6.7409 -4.8138 -4.8071 -3.9793 -3.9748 -3.2541 -3.2423 -0.9571 -0.9491 -0.2105 -0.2098 0.4433 0.4481 0.8241 0.8354 1.4517 1.4580 1.9279 1.9305 2.1500 2.1528 2.5143 2.5158 11.8631 11.8747 12.7156 12.7235 13.5069 13.5075 13.8033 13.8073 k =-0.2691 0.2885 0.3945 ( 2355 PWs) bands (ev): -17.9696 -17.9695 -16.2334 -16.2296 -15.3070 -15.3027 -15.1943 -15.1888 -6.7982 -6.7955 -4.7902 -4.7835 -4.0028 -3.9981 -3.2562 -3.2444 -0.9518 -0.9437 -0.1930 -0.1921 0.4728 0.4777 0.8294 0.8411 1.4501 1.4566 1.9359 1.9367 2.1590 2.1599 2.5133 2.5147 11.8376 11.8493 12.7207 12.7283 13.4692 13.4699 13.8059 13.8098 k =-0.2622 0.2811 0.3844 ( 2355 PWs) bands (ev): -17.9915 -17.9913 -16.2048 -16.2010 -15.3042 -15.2999 -15.1879 -15.1824 -6.8528 -6.8502 -4.7675 -4.7609 -4.0259 -4.0212 -3.2594 -3.2476 -0.9455 -0.9373 -0.1721 -0.1711 0.5015 0.5065 0.8345 0.8466 1.4466 1.4534 1.9336 1.9358 2.1741 2.1760 2.5133 2.5145 11.8126 11.8245 12.7257 12.7332 13.4225 13.4235 13.8071 13.8110 k =-0.2553 0.2737 0.3742 ( 2355 PWs) bands (ev): -18.0138 -18.0137 -16.1751 -16.1714 -15.3012 -15.2969 -15.1815 -15.1760 -6.9074 -6.9049 -4.7458 -4.7393 -4.0486 -4.0438 -3.2637 -3.2521 -0.9383 -0.9301 -0.1479 -0.1468 0.5290 0.5342 0.8395 0.8522 1.4415 1.4485 1.9251 1.9286 2.1939 2.1971 2.5144 2.5154 11.7880 11.8000 12.7309 12.7380 13.3677 13.3691 13.8073 13.8110 k =-0.2484 0.2663 0.3641 ( 2355 PWs) bands (ev): -18.0365 -18.0364 -16.1445 -16.1408 -15.2981 -15.2939 -15.1751 -15.1696 -6.9619 -6.9596 -4.7251 -4.7187 -4.0709 -4.0661 -3.2692 -3.2577 -0.9304 -0.9221 -0.1203 -0.1192 0.5548 0.5603 0.8449 0.8580 1.4350 1.4423 1.9130 1.9175 2.2162 2.2202 2.5165 2.5173 11.7635 11.7755 12.7361 12.7429 13.3059 13.3077 13.8065 13.8102 k =-0.2415 0.2589 0.3540 ( 2355 PWs) bands (ev): -18.0596 -18.0595 -16.1130 -16.1094 -15.2950 -15.2909 -15.1686 -15.1631 -7.0163 -7.0141 -4.7053 -4.6989 -4.0928 -4.0878 -3.2759 -3.2645 -0.9218 -0.9136 -0.0895 -0.0883 0.5784 0.5842 0.8509 0.8646 1.4276 1.4350 1.8990 1.9040 2.2392 2.2436 2.5197 2.5205 11.7389 11.7508 12.7413 12.7476 13.2385 13.2407 13.8050 13.8085 k =-0.2346 0.2515 0.3439 ( 2347 PWs) bands (ev): -18.0829 -18.0828 -16.0807 -16.0771 -15.2918 -15.2877 -15.1621 -15.1567 -7.0704 -7.0684 -4.6864 -4.6801 -4.1141 -4.1091 -3.2838 -3.2725 -0.9126 -0.9044 -0.0556 -0.0543 0.5991 0.6052 0.8584 0.8724 1.4194 1.4271 1.8839 1.8892 2.2619 2.2663 2.5239 2.5248 11.7138 11.7256 12.7463 12.7518 13.1670 13.1696 13.8028 13.8063 k =-0.2277 0.2441 0.3338 ( 2345 PWs) bands (ev): -18.1064 -18.1063 -16.0476 -16.0442 -15.2885 -15.2845 -15.1556 -15.1503 -7.1243 -7.1224 -4.6684 -4.6622 -4.1349 -4.1298 -3.2929 -3.2818 -0.9029 -0.8948 -0.0187 -0.0174 0.6162 0.6224 0.8679 0.8822 1.4110 1.4187 1.8682 1.8737 2.2834 2.2878 2.5291 2.5302 11.6880 11.6996 12.7505 12.7548 13.0933 13.0963 13.8001 13.8035 k =-0.2208 0.2367 0.3237 ( 2345 PWs) bands (ev): -18.1300 -18.1299 -16.0140 -16.0106 -15.2853 -15.2813 -15.1492 -15.1439 -7.1778 -7.1760 -4.6512 -4.6452 -4.1550 -4.1498 -3.3032 -3.2922 -0.8928 -0.8847 0.0210 0.0223 0.6291 0.6353 0.8802 0.8944 1.4024 1.4101 1.8522 1.8578 2.3034 2.3076 2.5351 2.5366 11.6611 11.6724 12.7523 12.7548 13.0203 13.0243 13.7969 13.8003 k =-0.2139 0.2293 0.3136 ( 2345 PWs) bands (ev): -18.1536 -18.1535 -15.9799 -15.9765 -15.2819 -15.2781 -15.1428 -15.1375 -7.2309 -7.2292 -4.6349 -4.6290 -4.1744 -4.1692 -3.3146 -3.3038 -0.8823 -0.8743 0.0633 0.0646 0.6374 0.6433 0.8956 0.9095 1.3940 1.4018 1.8359 1.8415 2.3219 2.3258 2.5418 2.5438 11.6328 11.6436 12.7462 12.7485 12.9530 12.9593 13.7934 13.7968 k =-0.2070 0.2219 0.3034 ( 2361 PWs) bands (ev): -18.1771 -18.1770 -15.9453 -15.9420 -15.2786 -15.2749 -15.1364 -15.1312 -7.2835 -7.2819 -4.6193 -4.6135 -4.1932 -4.1880 -3.3273 -3.3167 -0.8713 -0.8635 0.1080 0.1093 0.6410 0.6466 0.9140 0.9274 1.3859 1.3937 1.8194 1.8250 2.3388 2.3423 2.5492 2.5515 11.6027 11.6131 12.7214 12.7282 12.9018 12.9119 13.7896 13.7929 k =-0.2001 0.2145 0.2933 ( 2355 PWs) bands (ev): -18.2004 -18.2003 -15.9104 -15.9072 -15.2753 -15.2716 -15.1301 -15.1250 -7.3354 -7.3340 -4.6044 -4.5988 -4.2112 -4.2059 -3.3410 -3.3306 -0.8600 -0.8523 0.1549 0.1561 0.6404 0.6454 0.9353 0.9480 1.3785 1.3861 1.8028 1.8083 2.3543 2.3574 2.5568 2.5596 11.5706 11.5803 12.6728 12.6830 12.8773 12.8898 13.7855 13.7888 k =-0.1932 0.2071 0.2832 ( 2355 PWs) bands (ev): -18.2236 -18.2235 -15.8753 -15.8722 -15.2720 -15.2684 -15.1238 -15.1189 -7.3867 -7.3854 -4.5903 -4.5848 -4.2285 -4.2231 -3.3559 -3.3457 -0.8484 -0.8408 0.2037 0.2048 0.6360 0.6404 0.9588 0.9708 1.3716 1.3792 1.7860 1.7914 2.3684 2.3711 2.5645 2.5678 11.5360 11.5451 12.6071 12.6182 12.8748 12.8874 13.7811 13.7843 k =-0.1863 0.1997 0.2731 ( 2361 PWs) bands (ev): -18.2465 -18.2464 -15.8401 -15.8371 -15.2687 -15.2653 -15.1176 -15.1128 -7.4373 -7.4361 -4.5767 -4.5714 -4.2449 -4.2396 -3.3717 -3.3617 -0.8365 -0.8290 0.2541 0.2551 0.6284 0.6323 0.9840 0.9953 1.3655 1.3729 1.7690 1.7743 2.3814 2.3837 2.5720 2.5756 11.4988 11.5071 12.5338 12.5452 12.8839 12.8959 13.7765 13.7797 k =-0.1794 0.1923 0.2630 ( 2361 PWs) bands (ev): -18.2690 -18.2689 -15.8048 -15.8019 -15.2655 -15.2621 -15.1116 -15.1069 -7.4870 -7.4859 -4.5638 -4.5587 -4.2605 -4.2551 -3.3886 -3.3788 -0.8242 -0.8170 0.3059 0.3068 0.6183 0.6217 1.0103 1.0210 1.3601 1.3673 1.7518 1.7570 2.3934 2.3954 2.5791 2.5830 11.4588 11.4662 12.4583 12.4698 12.8994 12.9107 13.7717 13.7748 k =-0.1725 0.1849 0.2529 ( 2361 PWs) bands (ev): -18.2912 -18.2911 -15.7696 -15.7668 -15.2623 -15.2590 -15.1056 -15.1011 -7.5359 -7.5349 -4.5514 -4.5465 -4.2752 -4.2699 -3.4064 -3.3968 -0.8117 -0.8047 0.3588 0.3596 0.6062 0.6093 1.0374 1.0475 1.3554 1.3624 1.7344 1.7395 2.4047 2.4064 2.5856 2.5898 11.4157 11.4223 12.3832 12.3949 12.9193 12.9299 13.7666 13.7696 k =-0.1656 0.1775 0.2428 ( 2361 PWs) bands (ev): -18.3129 -18.3128 -15.7346 -15.7319 -15.2591 -15.2560 -15.0998 -15.0954 -7.5837 -7.5829 -4.5396 -4.5348 -4.2891 -4.2837 -3.4250 -3.4157 -0.7990 -0.7922 0.4125 0.4133 0.5926 0.5954 1.0649 1.0745 1.3514 1.3582 1.7168 1.7218 2.4154 2.4168 2.5914 2.5957 11.3696 11.3754 12.3100 12.3218 12.9424 12.9524 13.7613 13.7642 k =-0.1587 0.1701 0.2326 ( 2353 PWs) bands (ev): -18.3341 -18.3340 -15.6999 -15.6973 -15.2561 -15.2530 -15.0941 -15.0899 -7.6306 -7.6298 -4.5282 -4.5237 -4.3020 -4.2967 -3.4444 -3.4353 -0.7861 -0.7794 0.4668 0.4674 0.5780 0.5804 1.0925 1.1017 1.3480 1.3547 1.6991 1.7040 2.4255 2.4268 2.5962 2.6008 11.3206 11.3255 12.2395 12.2513 12.9685 12.9778 13.7557 13.7586 k =-0.1518 0.1627 0.2225 ( 2349 PWs) bands (ev): -18.3547 -18.3546 -15.6656 -15.6631 -15.2530 -15.2501 -15.0885 -15.0845 -7.6762 -7.6755 -4.5174 -4.5130 -4.3140 -4.3087 -3.4644 -3.4555 -0.7730 -0.7666 0.5213 0.5219 0.5626 0.5648 1.1200 1.1288 1.3453 1.3518 1.6814 1.6861 2.4353 2.4364 2.6002 2.6048 11.2687 11.2728 12.1722 12.1840 12.9971 13.0058 13.7499 13.7527 k =-0.1449 0.1553 0.2124 ( 2349 PWs) bands (ev): -18.3747 -18.3747 -15.6318 -15.6294 -15.2501 -15.2473 -15.0832 -15.0793 -7.7207 -7.7201 -4.5069 -4.5028 -4.3251 -4.3198 -3.4850 -3.4764 -0.7598 -0.7536 0.5465 0.5487 0.5760 0.5764 1.1471 1.1557 1.3432 1.3495 1.6635 1.6681 2.4447 2.4456 2.6031 2.6077 11.2143 11.2177 12.1084 12.1202 13.0279 13.0361 13.7439 13.7466 k =-0.1380 0.1479 0.2023 ( 2349 PWs) bands (ev): -18.3941 -18.3941 -15.5986 -15.5963 -15.2473 -15.2446 -15.0780 -15.0743 -7.7639 -7.7633 -4.4970 -4.4930 -4.3353 -4.3300 -3.5061 -3.4977 -0.7465 -0.7405 0.5305 0.5325 0.6302 0.6305 1.1739 1.1822 1.3416 1.3478 1.6457 1.6501 2.4537 2.4546 2.6050 2.6096 11.1578 11.1605 12.0482 12.0599 13.0608 13.0684 13.7377 13.7403 k =-0.1311 0.1405 0.1922 ( 2349 PWs) bands (ev): -18.4128 -18.4128 -15.5661 -15.5640 -15.2446 -15.2420 -15.0729 -15.0694 -7.8056 -7.8052 -4.4874 -4.4836 -4.3445 -4.3393 -3.5274 -3.5194 -0.7332 -0.7275 0.5145 0.5164 0.6838 0.6841 1.2000 1.2082 1.3405 1.3466 1.6279 1.6322 2.4625 2.4633 2.6059 2.6105 11.0997 11.1018 11.9918 12.0033 13.0954 13.1025 13.7313 13.7338 k =-0.1242 0.1331 0.1821 ( 2349 PWs) bands (ev): -18.4308 -18.4307 -15.5345 -15.5324 -15.2419 -15.2395 -15.0681 -15.0648 -7.8460 -7.8456 -4.4782 -4.4747 -4.3528 -4.3477 -3.5491 -3.5413 -0.7200 -0.7145 0.4987 0.5005 0.7367 0.7370 1.2254 1.2335 1.3399 1.3459 1.6102 1.6144 2.4710 2.4717 2.6059 2.6105 11.0404 11.0421 11.9390 11.9502 13.1315 13.1381 13.7247 13.7271 k =-0.1173 0.1257 0.1719 ( 2357 PWs) bands (ev): -18.4480 -18.4479 -15.5038 -15.5019 -15.2394 -15.2371 -15.0635 -15.0604 -7.8847 -7.8844 -4.4695 -4.4662 -4.3602 -4.3552 -3.5708 -3.5633 -0.7069 -0.7017 0.4833 0.4849 0.7884 0.7887 1.2498 1.2580 1.3397 1.3458 1.5927 1.5967 2.4793 2.4798 2.6050 2.6095 10.9807 10.9820 11.8898 11.9006 13.1688 13.1749 13.7180 13.7203 k =-0.1104 0.1183 0.1618 ( 2359 PWs) bands (ev): -18.4643 -18.4643 -15.4741 -15.4723 -15.2370 -15.2348 -15.0591 -15.0562 -7.9218 -7.9216 -4.4611 -4.4581 -4.3667 -4.3618 -3.5925 -3.5852 -0.6940 -0.6890 0.4683 0.4698 0.8388 0.8392 1.2732 1.2817 1.3400 1.3464 1.5755 1.5792 2.4872 2.4877 2.6034 2.6077 10.9210 10.9220 11.8440 11.8543 13.2070 13.2127 13.7113 13.7135 k =-0.1035 0.1109 0.1517 ( 2355 PWs) bands (ev): -18.4799 -18.4798 -15.4456 -15.4439 -15.2347 -15.2327 -15.0550 -15.0522 -7.9572 -7.9570 -4.4532 -4.4503 -4.3723 -4.3675 -3.6139 -3.6070 -0.6813 -0.6766 0.4539 0.4554 0.8876 0.8880 1.2950 1.3043 1.3408 1.3480 1.5585 1.5620 2.4948 2.4953 2.6011 2.6052 10.8621 10.8627 11.8015 11.8113 13.2458 13.2510 13.7045 13.7067 k =-0.0966 0.1035 0.1416 ( 2355 PWs) bands (ev): -18.4946 -18.4945 -15.4183 -15.4168 -15.2325 -15.2306 -15.0510 -15.0485 -7.9908 -7.9906 -4.4456 -4.4430 -4.3770 -4.3724 -3.6351 -3.6285 -0.6690 -0.6646 0.4402 0.4416 0.9345 0.9351 1.3146 1.3255 1.3424 1.3512 1.5419 1.5452 2.5021 2.5026 2.5981 2.6021 10.8043 10.8048 11.7621 11.7714 13.2848 13.2896 13.6978 13.6998 k =-0.0897 0.0962 0.1315 ( 2357 PWs) bands (ev): -18.5084 -18.5083 -15.3923 -15.3910 -15.2304 -15.2287 -15.0474 -15.0450 -8.0225 -8.0224 -4.4385 -4.4361 -4.3810 -4.3766 -3.6558 -3.6495 -0.6570 -0.6529 0.4273 0.4285 0.9793 0.9800 1.3297 1.3402 1.3498 1.3581 1.5256 1.5289 2.5090 2.5095 2.5948 2.5985 10.7483 10.7487 11.7258 11.7344 13.3237 13.3281 13.6912 13.6931 k =-0.0828 0.0888 0.1214 ( 2353 PWs) bands (ev): -18.5212 -18.5212 -15.3679 -15.3666 -15.2285 -15.2269 -15.0439 -15.0418 -8.0522 -8.0521 -4.4318 -4.4297 -4.3842 -4.3800 -3.6758 -3.6699 -0.6456 -0.6418 0.4152 0.4163 1.0218 1.0227 1.3386 1.3438 1.3673 1.3706 1.5099 1.5130 2.5156 2.5160 2.5910 2.5946 10.6946 10.6948 11.6923 11.7004 13.3621 13.3661 13.6848 13.6866 k =-0.0759 0.0814 0.1113 ( 2357 PWs) bands (ev): -18.5331 -18.5331 -15.3449 -15.3438 -15.2267 -15.2253 -15.0408 -15.0389 -8.0799 -8.0798 -4.4256 -4.4237 -4.3866 -4.3827 -3.6951 -3.6896 -0.6347 -0.6312 0.4039 0.4050 1.0618 1.0628 1.3436 1.3464 1.3845 1.3865 1.4946 1.4976 2.5217 2.5220 2.5870 2.5904 10.6436 10.6437 11.6618 11.6691 13.3995 13.4032 13.6787 13.6803 k =-0.0690 0.0740 0.1011 ( 2353 PWs) bands (ev): -18.5441 -18.5441 -15.3236 -15.3227 -15.2251 -15.2237 -15.0379 -15.0362 -8.1054 -8.1054 -4.4198 -4.4182 -4.3885 -4.3848 -3.7134 -3.7082 -0.6245 -0.6212 0.3936 0.3945 1.0991 1.1002 1.3473 1.3491 1.4003 1.4029 1.4800 1.4830 2.5274 2.5277 2.5829 2.5861 10.5957 10.5958 11.6340 11.6407 13.4356 13.4389 13.6728 13.6744 k =-0.0621 0.0666 0.0910 ( 2355 PWs) bands (ev): -18.5541 -18.5540 -15.3041 -15.3032 -15.2236 -15.2224 -15.0352 -15.0337 -8.1288 -8.1288 -4.4145 -4.4132 -4.3897 -4.3864 -3.7306 -3.7258 -0.6149 -0.6120 0.3841 0.3850 1.1335 1.1348 1.3508 1.3521 1.4147 1.4181 1.4660 1.4693 2.5326 2.5328 2.5788 2.5817 10.5512 10.5513 11.6089 11.6149 13.4700 13.4730 13.6674 13.6688 k =-0.0552 0.0592 0.0809 ( 2351 PWs) bands (ev): -18.5630 -18.5630 -15.2863 -15.2856 -15.2222 -15.2211 -15.0329 -15.0316 -8.1499 -8.1499 -4.4097 -4.4086 -4.3904 -4.3875 -3.7465 -3.7422 -0.6061 -0.6036 0.3757 0.3764 1.1648 1.1663 1.3543 1.3554 1.4266 1.4318 1.4530 1.4575 2.5373 2.5374 2.5749 2.5775 10.5106 10.5107 11.5865 11.5919 13.5022 13.5049 13.6624 13.6637 k =-0.0483 0.0518 0.0708 ( 2343 PWs) bands (ev): -18.5710 -18.5709 -15.2704 -15.2698 -15.2209 -15.2200 -15.0308 -15.0297 -8.1687 -8.1686 -4.4055 -4.4047 -4.3906 -4.3881 -3.7610 -3.7571 -0.5982 -0.5959 0.3682 0.3688 1.1932 1.1947 1.3579 1.3588 1.4313 1.4376 1.4469 1.4524 2.5415 2.5415 2.5712 2.5736 10.4741 10.4741 11.5669 11.5716 13.5317 13.5341 13.6580 13.6593 k =-0.0414 0.0444 0.0607 ( 2347 PWs) bands (ev): -18.5779 -18.5779 -15.2566 -15.2561 -15.2198 -15.2190 -15.0290 -15.0280 -8.1851 -8.1850 -4.4019 -4.4013 -4.3904 -4.3885 -3.7739 -3.7705 -0.5912 -0.5892 0.3616 0.3622 1.2183 1.2199 1.3615 1.3623 1.4245 1.4271 1.4565 1.4580 2.5449 2.5450 2.5679 2.5700 10.4419 10.4420 11.5499 11.5539 13.5581 13.5603 13.6543 13.6554 k =-0.0345 0.0370 0.0506 ( 2345 PWs) bands (ev): -18.5838 -18.5837 -15.2447 -15.2444 -15.2188 -15.2182 -15.0275 -15.0267 -8.1990 -8.1990 -4.3990 -4.3984 -4.3899 -4.3885 -3.7850 -3.7822 -0.5851 -0.5835 0.3561 0.3566 1.2403 1.2419 1.3649 1.3655 1.4147 1.4163 1.4657 1.4660 2.5477 2.5479 2.5652 2.5670 10.4144 10.4144 11.5355 11.5389 13.5809 13.5828 13.6515 13.6525 k =-0.0276 0.0296 0.0405 ( 2349 PWs) bands (ev): -18.5886 -18.5886 -15.2351 -15.2348 -15.2178 -15.2174 -15.0262 -15.0256 -8.2105 -8.2105 -4.3968 -4.3962 -4.3891 -4.3883 -3.7943 -3.7920 -0.5801 -0.5788 0.3516 0.3520 1.2592 1.2607 1.3676 1.3681 1.4054 1.4066 1.4733 1.4733 2.5497 2.5500 2.5631 2.5646 10.3915 10.3916 11.5239 11.5265 13.5994 13.6011 13.6498 13.6507 k =-0.0207 0.0222 0.0303 ( 2349 PWs) bands (ev): -18.5923 -18.5923 -15.2277 -15.2275 -15.2169 -15.2166 -15.0252 -15.0248 -8.2195 -8.2194 -4.3953 -4.3946 -4.3882 -4.3879 -3.8016 -3.7998 -0.5761 -0.5751 0.3481 0.3484 1.2749 1.2763 1.3691 1.3695 1.3978 1.3989 1.4792 1.4793 2.5509 2.5513 2.5619 2.5630 10.3736 10.3737 11.5149 11.5169 13.6131 13.6145 13.6496 13.6504 k =-0.0138 0.0148 0.0202 ( 2345 PWs) bands (ev): -18.5950 -18.5950 -15.2229 -15.2227 -15.2157 -15.2156 -15.0245 -15.0242 -8.2259 -8.2259 -4.3942 -4.3936 -4.3875 -4.3874 -3.8067 -3.8056 -0.5731 -0.5725 0.3456 0.3458 1.2872 1.2883 1.3688 1.3689 1.3929 1.3937 1.4835 1.4836 2.5515 2.5518 2.5614 2.5621 10.3608 10.3608 11.5085 11.5099 13.6216 13.6225 13.6512 13.6517 k =-0.0069 0.0074 0.0101 ( 2351 PWs) bands (ev): -18.5966 -18.5966 -15.2205 -15.2204 -15.2145 -15.2145 -15.0241 -15.0239 -8.2298 -8.2297 -4.3935 -4.3932 -4.3870 -4.3870 -3.8098 -3.8092 -0.5713 -0.5710 0.3441 0.3442 1.2954 1.2960 1.3672 1.3672 1.3908 1.3912 1.4861 1.4862 2.5517 2.5518 2.5613 2.5617 10.3530 10.3530 11.5049 11.5055 13.6256 13.6261 13.6534 13.6536 k = 0.0000 0.0000 0.0000 ( 2357 PWs) bands (ev): -18.5972 -18.5972 -15.2198 -15.2198 -15.2139 -15.2139 -15.0239 -15.0239 -8.2310 -8.2310 -4.3932 -4.3932 -4.3868 -4.3868 -3.8106 -3.8106 -0.5706 -0.5706 0.3436 0.3436 1.2986 1.2986 1.3662 1.3662 1.3903 1.3903 1.4870 1.4870 2.5517 2.5517 2.5615 2.5615 10.3504 10.3504 11.5038 11.5038 13.6269 13.6269 13.6545 13.6545 k = 0.0000 0.0000 0.0000 ( 2357 PWs) bands (ev): -18.5972 -18.5972 -15.2198 -15.2198 -15.2139 -15.2139 -15.0239 -15.0239 -8.2310 -8.2310 -4.3932 -4.3932 -4.3868 -4.3868 -3.8106 -3.8106 -0.5706 -0.5706 0.3436 0.3436 1.2986 1.2986 1.3662 1.3662 1.3903 1.3903 1.4870 1.4870 2.5517 2.5517 2.5615 2.5615 10.3504 10.3504 11.5038 11.5038 13.6269 13.6269 13.6545 13.6545 k = 0.0104 0.0097-0.0000 ( 2357 PWs) bands (ev): -18.5966 -18.5966 -15.2199 -15.2199 -15.2141 -15.2141 -15.0252 -15.0252 -8.2292 -8.2292 -4.3924 -4.3924 -4.3860 -4.3860 -3.8113 -3.8113 -0.5699 -0.5699 0.3428 0.3428 1.2982 1.2982 1.3654 1.3654 1.3896 1.3896 1.4856 1.4856 2.5516 2.5516 2.5614 2.5614 10.3529 10.3529 11.5055 11.5055 13.6255 13.6255 13.6531 13.6531 k = 0.0208 0.0194-0.0000 ( 2349 PWs) bands (ev): -18.5948 -18.5948 -15.2202 -15.2202 -15.2144 -15.2144 -15.0294 -15.0294 -8.2237 -8.2237 -4.3899 -4.3899 -4.3835 -4.3835 -3.8136 -3.8136 -0.5677 -0.5677 0.3403 0.3403 1.2972 1.2972 1.3632 1.3632 1.3873 1.3873 1.4815 1.4815 2.5512 2.5512 2.5610 2.5610 10.3603 10.3603 11.5105 11.5105 13.6215 13.6215 13.6489 13.6489 k = 0.0312 0.0291-0.0000 ( 2345 PWs) bands (ev): -18.5919 -18.5919 -15.2208 -15.2208 -15.2149 -15.2149 -15.0363 -15.0363 -8.2146 -8.2146 -4.3858 -4.3858 -4.3793 -4.3793 -3.8174 -3.8174 -0.5642 -0.5642 0.3362 0.3362 1.2955 1.2955 1.3594 1.3594 1.3835 1.3835 1.4746 1.4746 2.5504 2.5504 2.5604 2.5604 10.3727 10.3727 11.5188 11.5188 13.6148 13.6148 13.6421 13.6421 k = 0.0417 0.0389-0.0000 ( 2361 PWs) bands (ev): -18.5878 -18.5878 -15.2215 -15.2215 -15.2157 -15.2157 -15.0460 -15.0460 -8.2019 -8.2019 -4.3800 -4.3800 -4.3736 -4.3736 -3.8228 -3.8228 -0.5592 -0.5592 0.3305 0.3305 1.2927 1.2927 1.3540 1.3540 1.3781 1.3781 1.4654 1.4654 2.5495 2.5495 2.5595 2.5595 10.3899 10.3899 11.5304 11.5304 13.6055 13.6055 13.6327 13.6327 k = 0.0521 0.0486-0.0000 ( 2361 PWs) bands (ev): -18.5825 -18.5825 -15.2225 -15.2225 -15.2167 -15.2167 -15.0583 -15.0583 -8.1855 -8.1855 -4.3726 -4.3726 -4.3661 -4.3661 -3.8296 -3.8296 -0.5528 -0.5528 0.3232 0.3232 1.2887 1.2887 1.3472 1.3472 1.3711 1.3712 1.4540 1.4540 2.5483 2.5483 2.5585 2.5585 10.4119 10.4119 11.5452 11.5452 13.5938 13.5938 13.6207 13.6207 k = 0.0625 0.0583-0.0000 ( 2357 PWs) bands (ev): -18.5760 -18.5760 -15.2237 -15.2237 -15.2178 -15.2178 -15.0733 -15.0733 -8.1657 -8.1657 -4.3636 -4.3636 -4.3571 -4.3571 -3.8380 -3.8380 -0.5450 -0.5450 0.3143 0.3143 1.2830 1.2830 1.3388 1.3389 1.3626 1.3626 1.4410 1.4410 2.5470 2.5470 2.5574 2.5574 10.4386 10.4386 11.5632 11.5632 13.5798 13.5798 13.6064 13.6064 k = 0.0729 0.0680-0.0000 ( 2357 PWs) bands (ev): -18.5684 -18.5684 -15.2251 -15.2251 -15.2192 -15.2192 -15.0908 -15.0908 -8.1425 -8.1425 -4.3530 -4.3530 -4.3465 -4.3465 -3.8479 -3.8479 -0.5358 -0.5358 0.3039 0.3039 1.2750 1.2750 1.3290 1.3290 1.3524 1.3524 1.4269 1.4269 2.5455 2.5455 2.5562 2.5562 10.4699 10.4699 11.5842 11.5842 13.5637 13.5637 13.5900 13.5900 k = 0.0833 0.0777-0.0000 ( 2357 PWs) bands (ev): -18.5596 -18.5596 -15.2267 -15.2267 -15.2208 -15.2208 -15.1108 -15.1108 -8.1158 -8.1158 -4.3409 -4.3409 -4.3343 -4.3343 -3.8592 -3.8592 -0.5252 -0.5252 0.2920 0.2920 1.2640 1.2640 1.3178 1.3178 1.3406 1.3406 1.4127 1.4127 2.5441 2.5441 2.5550 2.5550 10.5056 10.5056 11.6082 11.6082 13.5455 13.5455 13.5715 13.5715 k = 0.0938 0.0874-0.0000 ( 2357 PWs) bands (ev): -18.5497 -18.5497 -15.2284 -15.2284 -15.2225 -15.2225 -15.1333 -15.1333 -8.0859 -8.0859 -4.3272 -4.3272 -4.3206 -4.3206 -3.8721 -3.8721 -0.5133 -0.5133 0.2787 0.2787 1.2493 1.2493 1.3050 1.3050 1.3271 1.3271 1.3990 1.3990 2.5427 2.5427 2.5537 2.5537 10.5458 10.5458 11.6351 11.6351 13.5256 13.5256 13.5512 13.5512 k = 0.1042 0.0972-0.0000 ( 2357 PWs) bands (ev): -18.5387 -18.5387 -15.2304 -15.2304 -15.2245 -15.2245 -15.1580 -15.1580 -8.0528 -8.0528 -4.3121 -4.3121 -4.3054 -4.3054 -3.8865 -3.8865 -0.5000 -0.5000 0.2641 0.2641 1.2304 1.2304 1.2905 1.2905 1.3119 1.3119 1.3867 1.3867 2.5413 2.5413 2.5526 2.5526 10.5901 10.5901 11.6648 11.6648 13.5041 13.5041 13.5292 13.5293 k = 0.1146 0.1069-0.0000 ( 2357 PWs) bands (ev): -18.5265 -18.5265 -15.2326 -15.2326 -15.2266 -15.2266 -15.1849 -15.1849 -8.0166 -8.0166 -4.2954 -4.2954 -4.2887 -4.2887 -3.9024 -3.9024 -0.4855 -0.4855 0.2482 0.2482 1.2071 1.2071 1.2743 1.2743 1.2950 1.2950 1.3762 1.3762 2.5402 2.5402 2.5516 2.5517 10.6385 10.6385 11.6971 11.6971 13.4811 13.4811 13.5059 13.5059 k = 0.1250 0.1166-0.0000 ( 2349 PWs) bands (ev): -18.5133 -18.5133 -15.2353 -15.2353 -15.2288 -15.2288 -15.2137 -15.2137 -7.9774 -7.9774 -4.2774 -4.2774 -4.2706 -4.2706 -3.9197 -3.9197 -0.4696 -0.4696 0.2311 0.2311 1.1796 1.1796 1.2562 1.2562 1.2764 1.2764 1.3673 1.3673 2.5393 2.5393 2.5509 2.5509 10.6907 10.6907 11.7319 11.7319 13.4570 13.4570 13.4813 13.4813 k = 0.1354 0.1263-0.0000 ( 2345 PWs) bands (ev): -18.4989 -18.4989 -15.2470 -15.2470 -15.2355 -15.2355 -15.2312 -15.2312 -7.9353 -7.9353 -4.2580 -4.2580 -4.2511 -4.2511 -3.9386 -3.9386 -0.4524 -0.4524 0.2129 0.2129 1.1485 1.1485 1.2363 1.2363 1.2560 1.2560 1.3600 1.3600 2.5387 2.5387 2.5504 2.5504 10.7466 10.7466 11.7691 11.7691 13.4318 13.4318 13.4557 13.4557 k = 0.1458 0.1360-0.0000 ( 2330 PWs) bands (ev): -18.4834 -18.4834 -15.2789 -15.2789 -15.2392 -15.2392 -15.2338 -15.2338 -7.8905 -7.8905 -4.2373 -4.2373 -4.2303 -4.2303 -3.9589 -3.9589 -0.4340 -0.4340 0.1936 0.1936 1.1142 1.1142 1.2145 1.2145 1.2340 1.2340 1.3536 1.3536 2.5384 2.5384 2.5503 2.5503 10.8060 10.8060 11.8084 11.8084 13.4058 13.4058 13.4292 13.4292 k = 0.1562 0.1457-0.0000 ( 2330 PWs) bands (ev): -18.4669 -18.4669 -15.3136 -15.3136 -15.2420 -15.2420 -15.2365 -15.2365 -7.8430 -7.8430 -4.2153 -4.2153 -4.2082 -4.2082 -3.9807 -3.9807 -0.4144 -0.4144 0.1734 0.1734 1.0771 1.0771 1.1911 1.1911 1.2102 1.2102 1.3478 1.3478 2.5385 2.5385 2.5505 2.5505 10.8687 10.8687 11.8498 11.8498 13.3791 13.3791 13.4021 13.4021 k = 0.1667 0.1555-0.0000 ( 2330 PWs) bands (ev): -18.4493 -18.4493 -15.3501 -15.3501 -15.2449 -15.2449 -15.2393 -15.2393 -7.7930 -7.7930 -4.1921 -4.1921 -4.1849 -4.1849 -4.0039 -4.0039 -0.3936 -0.3936 0.1523 0.1523 1.0377 1.0377 1.1659 1.1660 1.1848 1.1849 1.3424 1.3424 2.5391 2.5391 2.5510 2.5511 10.9345 10.9345 11.8929 11.8929 13.3518 13.3518 13.3744 13.3744 k = 0.1771 0.1652-0.0000 ( 2330 PWs) bands (ev): -18.4308 -18.4308 -15.3881 -15.3881 -15.2478 -15.2478 -15.2422 -15.2422 -7.7406 -7.7406 -4.1679 -4.1679 -4.1605 -4.1605 -4.0286 -4.0286 -0.3717 -0.3717 0.1305 0.1305 0.9965 0.9965 1.1393 1.1393 1.1578 1.1579 1.3369 1.3369 2.5401 2.5401 2.5521 2.5521 11.0031 11.0031 11.9377 11.9377 13.3242 13.3242 13.3463 13.3463 k = 0.1875 0.1749-0.0000 ( 2338 PWs) bands (ev): -18.4112 -18.4112 -15.4276 -15.4276 -15.2508 -15.2508 -15.2452 -15.2452 -7.6859 -7.6859 -4.1426 -4.1426 -4.1350 -4.1350 -4.0548 -4.0548 -0.3487 -0.3487 0.1080 0.1080 0.9538 0.9538 1.1110 1.1111 1.1293 1.1293 1.3313 1.3313 2.5416 2.5416 2.5535 2.5535 11.0743 11.0743 11.9840 11.9840 13.2964 13.2964 13.3181 13.3181 k = 0.1979 0.1846-0.0000 ( 2334 PWs) bands (ev): -18.3906 -18.3906 -15.4684 -15.4684 -15.2539 -15.2539 -15.2482 -15.2482 -7.6290 -7.6290 -4.1166 -4.1166 -4.1085 -4.1085 -4.0821 -4.0821 -0.3247 -0.3247 0.0851 0.0851 0.9098 0.9098 1.0814 1.0814 1.0993 1.0993 1.3254 1.3254 2.5436 2.5436 2.5555 2.5555 11.1480 11.1480 12.0314 12.0314 13.2685 13.2685 13.2897 13.2897 k = 0.2083 0.1943-0.0000 ( 2330 PWs) bands (ev): -18.3691 -18.3691 -15.5104 -15.5104 -15.2571 -15.2571 -15.2514 -15.2514 -7.5702 -7.5702 -4.1130 -4.1130 -4.0877 -4.0877 -4.0810 -4.0810 -0.2997 -0.2997 0.0617 0.0617 0.8650 0.8650 1.0504 1.0505 1.0679 1.0680 1.3190 1.3190 2.5462 2.5462 2.5578 2.5579 11.2239 11.2239 12.0799 12.0799 13.2407 13.2407 13.2614 13.2614 k = 0.2188 0.2040-0.0000 ( 2326 PWs) bands (ev): -18.3466 -18.3466 -15.5534 -15.5534 -15.2602 -15.2602 -15.2546 -15.2546 -7.5094 -7.5094 -4.1430 -4.1430 -4.0602 -4.0602 -4.0527 -4.0527 -0.2739 -0.2739 0.0381 0.0381 0.8195 0.8195 1.0182 1.0183 1.0353 1.0353 1.3120 1.3120 2.5491 2.5492 2.5607 2.5607 11.3017 11.3017 12.1292 12.1292 13.2130 13.2130 13.2333 13.2333 k = 0.2292 0.2138-0.0000 ( 2330 PWs) bands (ev): -18.3233 -18.3233 -15.5974 -15.5974 -15.2635 -15.2635 -15.2578 -15.2578 -7.4468 -7.4468 -4.1751 -4.1751 -4.0315 -4.0315 -4.0237 -4.0237 -0.2473 -0.2473 0.0145 0.0145 0.7737 0.7737 0.9849 0.9849 1.0015 1.0016 1.3043 1.3043 2.5526 2.5526 2.5640 2.5640 11.3811 11.3811 12.1791 12.1791 13.1855 13.1855 13.2055 13.2055 k = 0.2396 0.2235-0.0000 ( 2330 PWs) bands (ev): -18.2991 -18.2991 -15.6421 -15.6421 -15.2667 -15.2667 -15.2610 -15.2610 -7.3826 -7.3826 -4.2087 -4.2087 -4.0020 -4.0020 -3.9941 -3.9941 -0.2204 -0.2204 -0.0089 -0.0089 0.7277 0.7277 0.9506 0.9506 0.9668 0.9668 1.2958 1.2958 2.5565 2.5565 2.5676 2.5677 11.4620 11.4620 12.2293 12.2293 13.1584 13.1584 13.1780 13.1780 k = 0.2500 0.2332-0.0000 ( 2330 PWs) bands (ev): -18.2742 -18.2742 -15.6876 -15.6876 -15.2700 -15.2700 -15.2643 -15.2643 -7.3169 -7.3169 -4.2439 -4.2439 -3.9720 -3.9720 -3.9639 -3.9639 -0.1934 -0.1934 -0.0315 -0.0315 0.6819 0.6819 0.9154 0.9154 0.9311 0.9311 1.2865 1.2865 2.5608 2.5608 2.5717 2.5717 11.5441 11.5441 12.2797 12.2797 13.1318 13.1318 13.1510 13.1510 k = 0.2604 0.2429-0.0000 ( 2330 PWs) bands (ev): -18.2484 -18.2484 -15.7335 -15.7335 -15.2732 -15.2732 -15.2675 -15.2675 -7.2497 -7.2497 -4.2806 -4.2806 -3.9415 -3.9415 -3.9333 -3.9332 -0.1677 -0.1677 -0.0521 -0.0521 0.6364 0.6364 0.8795 0.8796 0.8947 0.8947 1.2763 1.2763 2.5655 2.5655 2.5761 2.5761 11.6270 11.6270 12.3299 12.3299 13.1058 13.1058 13.1245 13.1245 k = 0.2708 0.2526-0.0000 ( 2330 PWs) bands (ev): -18.2220 -18.2220 -15.7799 -15.7799 -15.2765 -15.2765 -15.2708 -15.2708 -7.1813 -7.1813 -4.3188 -4.3188 -3.9108 -3.9108 -3.9023 -3.9023 -0.1471 -0.1471 -0.0667 -0.0667 0.5915 0.5915 0.8431 0.8431 0.8577 0.8578 1.2652 1.2652 2.5705 2.5705 2.5809 2.5809 11.7105 11.7105 12.3799 12.3799 13.0803 13.0803 13.0986 13.0986 k = 0.2812 0.2623-0.0000 ( 2318 PWs) bands (ev): -18.1949 -18.1949 -15.8266 -15.8266 -15.2797 -15.2797 -15.2740 -15.2740 -7.1117 -7.1117 -4.3586 -4.3586 -3.8798 -3.8798 -3.8711 -3.8711 -0.1411 -0.1411 -0.0659 -0.0659 0.5475 0.5475 0.8063 0.8063 0.8204 0.8204 1.2531 1.2531 2.5758 2.5758 2.5859 2.5859 11.7944 11.7944 12.4294 12.4294 13.0555 13.0555 13.0735 13.0735 k = 0.2917 0.2721-0.0000 ( 2318 PWs) bands (ev): -18.1673 -18.1673 -15.8734 -15.8734 -15.2828 -15.2828 -15.2771 -15.2771 -7.0410 -7.0410 -4.3999 -4.3999 -3.8488 -3.8487 -3.8399 -3.8399 -0.1524 -0.1524 -0.0470 -0.0470 0.5045 0.5045 0.7693 0.7693 0.7829 0.7829 1.2400 1.2400 2.5813 2.5813 2.5911 2.5911 11.8782 11.8782 12.4781 12.4781 13.0315 13.0315 13.0491 13.0491 k = 0.3021 0.2818-0.0000 ( 2326 PWs) bands (ev): -18.1391 -18.1391 -15.9201 -15.9201 -15.2859 -15.2859 -15.2802 -15.2802 -6.9695 -6.9695 -4.4427 -4.4427 -3.8178 -3.8178 -3.8088 -3.8087 -0.1709 -0.1709 -0.0201 -0.0201 0.4627 0.4627 0.7322 0.7322 0.7453 0.7453 1.2258 1.2258 2.5870 2.5870 2.5964 2.5965 11.9616 11.9616 12.5259 12.5259 13.0083 13.0083 13.0255 13.0255 k = 0.3125 0.2915-0.0000 ( 2330 PWs) bands (ev): -18.1105 -18.1105 -15.9668 -15.9668 -15.2890 -15.2890 -15.2833 -15.2833 -6.8971 -6.8971 -4.4870 -4.4870 -3.7870 -3.7870 -3.7778 -3.7778 -0.1916 -0.1916 0.0096 0.0096 0.4226 0.4226 0.6953 0.6954 0.7079 0.7079 1.2106 1.2106 2.5928 2.5928 2.6019 2.6019 12.0444 12.0444 12.5726 12.5726 12.9860 12.9860 13.0028 13.0028 k = 0.3229 0.3012-0.0000 ( 2326 PWs) bands (ev): -18.0816 -18.0816 -16.0131 -16.0131 -15.2919 -15.2919 -15.2862 -15.2862 -6.8240 -6.8240 -4.5329 -4.5329 -3.7566 -3.7566 -3.7472 -3.7472 -0.2127 -0.2127 0.0404 0.0404 0.3845 0.3845 0.6588 0.6588 0.6708 0.6708 1.1944 1.1944 2.5987 2.5987 2.6075 2.6075 12.1261 12.1261 12.6179 12.6179 12.9646 12.9646 12.9810 12.9810 k = 0.3333 0.3109-0.0000 ( 2326 PWs) bands (ev): -18.0525 -18.0525 -16.0589 -16.0589 -15.2947 -15.2947 -15.2890 -15.2890 -6.7503 -6.7503 -4.5803 -4.5803 -3.7267 -3.7267 -3.7171 -3.7171 -0.2337 -0.2337 0.0710 0.0710 0.3488 0.3488 0.6229 0.6229 0.6343 0.6343 1.1771 1.1771 2.6046 2.6046 2.6131 2.6131 12.2063 12.2063 12.6616 12.6616 12.9442 12.9442 12.9602 12.9602 k = 0.3438 0.3206-0.0000 ( 2334 PWs) bands (ev): -18.0232 -18.0232 -16.1041 -16.1041 -15.2975 -15.2975 -15.2918 -15.2918 -6.6761 -6.6761 -4.6292 -4.6292 -3.6974 -3.6974 -3.6876 -3.6876 -0.2541 -0.2541 0.1005 0.1005 0.3167 0.3167 0.5876 0.5877 0.5986 0.5986 1.1588 1.1588 2.6105 2.6105 2.6186 2.6186 12.2847 12.2847 12.7037 12.7037 12.9248 12.9248 12.9404 12.9404 k = 0.3542 0.3304-0.0000 ( 2322 PWs) bands (ev): -17.9940 -17.9940 -16.1484 -16.1484 -15.3001 -15.3001 -15.2944 -15.2944 -6.6016 -6.6016 -4.6796 -4.6796 -3.6690 -3.6690 -3.6590 -3.6590 -0.2739 -0.2739 0.1266 0.1266 0.2901 0.2901 0.5534 0.5534 0.5639 0.5639 1.1395 1.1395 2.6163 2.6163 2.6241 2.6241 12.3609 12.3609 12.7438 12.7438 12.9066 12.9066 12.9217 12.9217 k = 0.3646 0.3401-0.0000 ( 2322 PWs) bands (ev): -17.9651 -17.9651 -16.1917 -16.1917 -15.3026 -15.3026 -15.2969 -15.2969 -6.5269 -6.5269 -4.7314 -4.7314 -3.6415 -3.6415 -3.6313 -3.6313 -0.2929 -0.2929 0.1449 0.1449 0.2734 0.2734 0.5203 0.5204 0.5303 0.5304 1.1192 1.1192 2.6220 2.6220 2.6294 2.6294 12.4344 12.4344 12.7817 12.7817 12.8897 12.8897 12.9042 12.9042 k = 0.3750 0.3498-0.0000 ( 2322 PWs) bands (ev): -17.9364 -17.9364 -16.2337 -16.2337 -15.3049 -15.3049 -15.2992 -15.2992 -6.4521 -6.4521 -4.7847 -4.7847 -3.6152 -3.6152 -3.6048 -3.6048 -0.3109 -0.3109 0.1490 0.1490 0.2732 0.2732 0.4887 0.4887 0.4982 0.4982 1.0981 1.0981 2.6274 2.6275 2.6345 2.6345 12.5048 12.5048 12.8169 12.8169 12.8745 12.8745 12.8878 12.8878 k = 0.3854 0.3595-0.0000 ( 2318 PWs) bands (ev): -17.9084 -17.9084 -16.2742 -16.2742 -15.3071 -15.3071 -15.3014 -15.3014 -6.3773 -6.3773 -4.8394 -4.8394 -3.5902 -3.5902 -3.5796 -3.5796 -0.3278 -0.3278 0.1388 0.1388 0.2892 0.2892 0.4586 0.4586 0.4677 0.4677 1.0762 1.0762 2.6327 2.6327 2.6394 2.6394 12.5716 12.5716 12.8442 12.8442 12.8657 12.8658 12.8728 12.8728 k = 0.3958 0.3692-0.0000 ( 2342 PWs) bands (ev): -17.8812 -17.8812 -16.3129 -16.3129 -15.3091 -15.3091 -15.3035 -15.3034 -6.3027 -6.3027 -4.8954 -4.8954 -3.5667 -3.5667 -3.5559 -3.5559 -0.3436 -0.3436 0.1216 0.1216 0.3142 0.3142 0.4303 0.4303 0.4390 0.4390 1.0536 1.0536 2.6376 2.6376 2.6439 2.6439 12.6344 12.6344 12.8411 12.8411 12.8582 12.8582 12.8870 12.8870 k = 0.4062 0.3789-0.0000 ( 2342 PWs) bands (ev): -17.8551 -17.8551 -16.3496 -16.3496 -15.3110 -15.3110 -15.3053 -15.3053 -6.2283 -6.2283 -4.9526 -4.9526 -3.5448 -3.5448 -3.5339 -3.5339 -0.3581 -0.3581 0.1024 0.1024 0.3430 0.3430 0.4040 0.4040 0.4124 0.4124 1.0305 1.0305 2.6422 2.6422 2.6482 2.6482 12.6927 12.6927 12.8299 12.8299 12.8455 12.8455 12.9145 12.9145 k = 0.4167 0.3887-0.0000 ( 2342 PWs) bands (ev): -17.8303 -17.8303 -16.3838 -16.3838 -15.3127 -15.3127 -15.3070 -15.3070 -6.1545 -6.1545 -5.0109 -5.0109 -3.5247 -3.5247 -3.5137 -3.5137 -0.3714 -0.3714 0.0836 0.0836 0.3726 0.3726 0.3802 0.3802 0.3881 0.3882 1.0071 1.0071 2.6464 2.6465 2.6522 2.6522 12.7459 12.7459 12.8194 12.8194 12.8340 12.8340 12.9403 12.9403 k = 0.4271 0.3984-0.0000 ( 2342 PWs) bands (ev): -17.8072 -17.8072 -16.4153 -16.4153 -15.3142 -15.3142 -15.3085 -15.3085 -6.0815 -6.0815 -5.0702 -5.0702 -3.5066 -3.5066 -3.4954 -3.4954 -0.3832 -0.3832 0.0662 0.0662 0.3580 0.3580 0.3656 0.3656 0.4036 0.4036 0.9836 0.9836 2.6503 2.6503 2.6557 2.6557 12.7915 12.7915 12.8121 12.8121 12.8239 12.8239 12.9637 12.9637 k = 0.4375 0.4081-0.0000 ( 2350 PWs) bands (ev): -17.7862 -17.7862 -16.4437 -16.4437 -15.3155 -15.3155 -15.3098 -15.3098 -6.0094 -6.0094 -5.1303 -5.1303 -3.4906 -3.4906 -3.4792 -3.4792 -0.3936 -0.3936 0.0506 0.0506 0.3388 0.3388 0.3462 0.3462 0.4329 0.4329 0.9605 0.9605 2.6537 2.6537 2.6588 2.6588 12.7986 12.7986 12.8147 12.8147 12.8392 12.8392 12.9843 12.9843 k = 0.4479 0.4178-0.0000 ( 2350 PWs) bands (ev): -17.7675 -17.7675 -16.4686 -16.4686 -15.3166 -15.3166 -15.3110 -15.3109 -5.9388 -5.9388 -5.1906 -5.1906 -3.4768 -3.4768 -3.4653 -3.4653 -0.4025 -0.4025 0.0371 0.0371 0.3222 0.3222 0.3294 0.3294 0.4607 0.4607 0.9382 0.9382 2.6566 2.6566 2.6615 2.6615 12.7920 12.7920 12.8072 12.8072 12.8749 12.8749 13.0020 13.0020 k = 0.4583 0.4275-0.0000 ( 2350 PWs) bands (ev): -17.7517 -17.7517 -16.4897 -16.4897 -15.3176 -15.3176 -15.3119 -15.3119 -5.8705 -5.8705 -5.2505 -5.2505 -3.4653 -3.4653 -3.4538 -3.4538 -0.4099 -0.4099 0.0260 0.0260 0.3085 0.3085 0.3155 0.3155 0.4861 0.4861 0.9174 0.9174 2.6590 2.6591 2.6637 2.6638 12.7861 12.7861 12.8010 12.8010 12.9048 12.9048 13.0168 13.0168 k = 0.4688 0.4372-0.0000 ( 2350 PWs) bands (ev): -17.7389 -17.7389 -16.5065 -16.5065 -15.3183 -15.3183 -15.3126 -15.3126 -5.8057 -5.8057 -5.3086 -5.3086 -3.4563 -3.4563 -3.4447 -3.4447 -0.4157 -0.4157 0.0172 0.0172 0.2977 0.2977 0.3045 0.3045 0.5080 0.5080 0.8992 0.8992 2.6610 2.6610 2.6655 2.6655 12.7815 12.7815 12.7961 12.7961 12.9284 12.9284 13.0286 13.0286 k = 0.4792 0.4470-0.0000 ( 2350 PWs) bands (ev): -17.7295 -17.7295 -16.5187 -16.5187 -15.3188 -15.3188 -15.3131 -15.3131 -5.7476 -5.7476 -5.3620 -5.3620 -3.4498 -3.4498 -3.4381 -3.4381 -0.4198 -0.4198 0.0110 0.0110 0.2899 0.2899 0.2966 0.2966 0.5252 0.5252 0.8846 0.8846 2.6623 2.6624 2.6668 2.6668 12.7782 12.7782 12.7926 12.7926 12.9452 12.9452 13.0371 13.0371 k = 0.4896 0.4567-0.0000 ( 2354 PWs) bands (ev): -17.7237 -17.7237 -16.5262 -16.5262 -15.3191 -15.3191 -15.3134 -15.3134 -5.7029 -5.7029 -5.4038 -5.4038 -3.4459 -3.4459 -3.4342 -3.4342 -0.4223 -0.4223 0.0072 0.0072 0.2852 0.2852 0.2919 0.2919 0.5364 0.5364 0.8751 0.8751 2.6632 2.6632 2.6675 2.6675 12.7761 12.7761 12.7906 12.7906 12.9554 12.9554 13.0423 13.0423 k = 0.5000 0.4664-0.0000 ( 2354 PWs) bands (ev): -17.7218 -17.7218 -16.5287 -16.5287 -15.3192 -15.3192 -15.3135 -15.3135 -5.6849 -5.6849 -5.4209 -5.4209 -3.4446 -3.4446 -3.4328 -3.4328 -0.4231 -0.4231 0.0059 0.0059 0.2836 0.2836 0.2903 0.2903 0.5402 0.5402 0.8718 0.8718 2.6635 2.6635 2.6678 2.6678 12.7755 12.7755 12.7899 12.7899 12.9588 12.9588 13.0441 13.0441 k = 0.5000 0.4664-0.0000 ( 2354 PWs) bands (ev): -17.7218 -17.7218 -16.5287 -16.5287 -15.3192 -15.3192 -15.3135 -15.3135 -5.6849 -5.6849 -5.4209 -5.4209 -3.4446 -3.4446 -3.4328 -3.4328 -0.4231 -0.4231 0.0059 0.0059 0.2836 0.2836 0.2903 0.2903 0.5402 0.5402 0.8718 0.8718 2.6635 2.6635 2.6678 2.6678 12.7755 12.7755 12.7899 12.7899 12.9588 12.9588 13.0441 13.0441 k = 0.4933 0.4736 0.0099 ( 2354 PWs) bands (ev): -17.7218 -17.7218 -16.5289 -16.5286 -15.3194 -15.3190 -15.3135 -15.3135 -5.6851 -5.6850 -5.4215 -5.4208 -3.4449 -3.4445 -3.4331 -3.4327 -0.4256 -0.4240 -0.0011 0.0020 0.2814 0.2829 0.2952 0.2978 0.5426 0.5435 0.8733 0.8737 2.6628 2.6632 2.6672 2.6675 12.7719 12.7751 12.7875 12.7882 12.9598 12.9627 13.0460 13.0466 k = 0.4865 0.4808 0.0197 ( 2354 PWs) bands (ev): -17.7217 -17.7217 -16.5291 -16.5286 -15.3195 -15.3188 -15.3134 -15.3134 -5.6856 -5.6854 -5.4225 -5.4213 -3.4456 -3.4450 -3.4333 -3.4322 -0.4313 -0.4282 -0.0167 -0.0109 0.2704 0.2721 0.3183 0.3217 0.5503 0.5519 0.8782 0.8791 2.6612 2.6621 2.6658 2.6665 12.7645 12.7707 12.7813 12.7831 12.9655 12.9709 13.0527 13.0536 k = 0.4798 0.4880 0.0296 ( 2358 PWs) bands (ev): -17.7215 -17.7215 -16.5294 -16.5287 -15.3196 -15.3186 -15.3133 -15.3131 -5.6867 -5.6863 -5.4238 -5.4220 -3.4476 -3.4469 -3.4326 -3.4306 -0.4406 -0.4361 -0.0362 -0.0284 0.2529 0.2550 0.3530 0.3569 0.5617 0.5639 0.8865 0.8878 2.6584 2.6598 2.6640 2.6650 12.7538 12.7624 12.7723 12.7754 12.9748 12.9817 13.0641 13.0652 k = 0.4731 0.4952 0.0394 ( 2359 PWs) bands (ev): -17.7213 -17.7213 -16.5297 -16.5288 -15.3199 -15.3185 -15.3129 -15.3126 -5.6887 -5.6882 -5.4250 -5.4226 -3.4512 -3.4505 -3.4306 -3.4277 -0.4537 -0.4478 -0.0558 -0.0466 0.2311 0.2334 0.3951 0.3993 0.5754 0.5780 0.8981 0.8998 2.6542 2.6561 2.6619 2.6630 12.7406 12.7504 12.7615 12.7658 12.9865 12.9941 13.0803 13.0812 k = 0.4664 0.5024 0.0493 ( 2359 PWs) bands (ev): -17.7211 -17.7211 -16.5301 -16.5289 -15.3202 -15.3186 -15.3123 -15.3117 -5.6921 -5.6914 -5.4255 -5.4226 -3.4566 -3.4557 -3.4272 -3.4235 -0.4705 -0.4637 -0.0728 -0.0627 0.2064 0.2089 0.4418 0.4461 0.5904 0.5933 0.9130 0.9150 2.6488 2.6511 2.6594 2.6606 12.7253 12.7354 12.7494 12.7550 12.9996 13.0073 13.1007 13.1015 k = 0.4596 0.5097 0.0592 ( 2347 PWs) bands (ev): -17.7210 -17.7209 -16.5304 -16.5289 -15.3207 -15.3188 -15.3114 -15.3106 -5.6975 -5.6967 -5.4247 -5.4214 -3.4634 -3.4624 -3.4228 -3.4183 -0.4911 -0.4835 -0.0860 -0.0752 0.1798 0.1824 0.4910 0.4953 0.6064 0.6092 0.9309 0.9332 2.6420 2.6448 2.6566 2.6578 12.7078 12.7178 12.7368 12.7436 13.0140 13.0214 13.1246 13.1257 k = 0.4529 0.5169 0.0690 ( 2343 PWs) bands (ev): -17.7209 -17.7208 -16.5306 -16.5289 -15.3214 -15.3192 -15.3102 -15.3091 -5.7054 -5.7044 -5.4221 -5.4184 -3.4716 -3.4705 -3.4174 -3.4122 -0.5151 -0.5070 -0.0946 -0.0835 0.1520 0.1547 0.5401 0.5445 0.6244 0.6268 0.9516 0.9541 2.6340 2.6371 2.6533 2.6546 12.6881 12.6976 12.7244 12.7321 13.0294 13.0365 13.1512 13.1529 k = 0.4462 0.5241 0.0789 ( 2343 PWs) bands (ev): -17.7209 -17.7208 -16.5307 -16.5288 -15.3221 -15.3198 -15.3087 -15.3073 -5.7164 -5.7152 -5.4172 -5.4131 -3.4810 -3.4798 -3.4113 -3.4054 -0.5418 -0.5335 -0.0987 -0.0876 0.1236 0.1263 0.5838 0.5889 0.6485 0.6503 0.9748 0.9774 2.6247 2.6282 2.6497 2.6510 12.6659 12.6749 12.7128 12.7212 13.0461 13.0527 13.1803 13.1826 k = 0.4395 0.5313 0.0887 ( 2335 PWs) bands (ev): -17.7211 -17.7210 -16.5307 -16.5285 -15.3230 -15.3204 -15.3069 -15.3053 -5.7308 -5.7293 -5.4096 -5.4052 -3.4917 -3.4904 -3.4044 -3.3979 -0.5707 -0.5623 -0.0986 -0.0877 0.0950 0.0977 0.6140 0.6199 0.6859 0.6883 1.0000 1.0028 2.6141 2.6180 2.6456 2.6471 12.6413 12.6497 12.7022 12.7111 13.0642 13.0704 13.2113 13.2140 k = 0.4327 0.5385 0.0986 ( 2339 PWs) bands (ev): -17.7216 -17.7215 -16.5303 -16.5280 -15.3239 -15.3211 -15.3049 -15.3030 -5.7487 -5.7470 -5.3992 -5.3945 -3.5036 -3.5021 -3.3970 -3.3898 -0.6009 -0.5926 -0.0949 -0.0842 0.0665 0.0691 0.6325 0.6386 0.7354 0.7383 1.0269 1.0298 2.6022 2.6065 2.6411 2.6427 12.6144 12.6225 12.6928 12.7020 13.0836 13.0895 13.2438 13.2469 k = 0.4260 0.5457 0.1085 ( 2335 PWs) bands (ev): -17.7223 -17.7223 -16.5296 -16.5271 -15.3248 -15.3219 -15.3026 -15.3004 -5.7700 -5.7680 -5.3860 -5.3811 -3.5165 -3.5149 -3.3890 -3.3814 -0.6318 -0.6237 -0.0879 -0.0775 0.0383 0.0409 0.6459 0.6521 0.7902 0.7931 1.0551 1.0582 2.5891 2.5938 2.6363 2.6379 12.5855 12.5933 12.6847 12.6940 13.1046 13.1102 13.2774 13.2809 k = 0.4193 0.5529 0.1183 ( 2335 PWs) bands (ev): -17.7235 -17.7234 -16.5285 -16.5258 -15.3256 -15.3226 -15.3000 -15.2976 -5.7946 -5.7924 -5.3701 -5.3651 -3.5306 -3.5288 -3.3807 -3.3725 -0.6629 -0.6550 -0.0782 -0.0681 0.0107 0.0132 0.6571 0.6634 0.8470 0.8497 1.0844 1.0876 2.5747 2.5798 2.6311 2.6328 12.5549 12.5624 12.6777 12.6872 13.1271 13.1324 13.3118 13.3156 k = 0.4126 0.5601 0.1282 ( 2331 PWs) bands (ev): -17.7251 -17.7250 -16.5269 -16.5240 -15.3265 -15.3232 -15.2972 -15.2946 -5.8223 -5.8198 -5.3519 -5.3468 -3.5456 -3.5438 -3.3720 -3.3633 -0.6936 -0.6859 -0.0662 -0.0562 -0.0160 -0.0137 0.6671 0.6735 0.9045 0.9069 1.1144 1.1178 2.5591 2.5645 2.6256 2.6274 12.5227 12.5302 12.6720 12.6815 13.1510 13.1561 13.3468 13.3507 k = 0.4058 0.5673 0.1380 ( 2325 PWs) bands (ev): -17.7273 -17.7272 -16.5246 -16.5216 -15.3272 -15.3239 -15.2942 -15.2914 -5.8528 -5.8501 -5.3316 -5.3263 -3.5617 -3.5596 -3.3631 -3.3540 -0.7236 -0.7161 -0.0546 -0.0434 -0.0406 -0.0373 0.6764 0.6831 0.9620 0.9640 1.1450 1.1488 2.5422 2.5480 2.6198 2.6217 12.4893 12.4968 12.6674 12.6770 13.1764 13.1813 13.3821 13.3861 k = 0.3991 0.5745 0.1479 ( 2325 PWs) bands (ev): -17.7301 -17.7300 -16.5217 -16.5185 -15.3279 -15.3244 -15.2910 -15.2879 -5.8859 -5.8830 -5.3093 -5.3039 -3.5786 -3.5764 -3.3541 -3.3446 -0.7526 -0.7451 -0.0692 -0.0658 -0.0332 -0.0257 0.6854 0.6922 1.0190 1.0204 1.1763 1.1806 2.5241 2.5302 2.6138 2.6157 12.4550 12.4624 12.6640 12.6735 13.2032 13.2079 13.4173 13.4215 k = 0.3924 0.5818 0.1578 ( 2325 PWs) bands (ev): -17.7336 -17.7335 -16.5179 -16.5146 -15.3285 -15.3248 -15.2875 -15.2843 -5.9213 -5.9183 -5.2855 -5.2799 -3.5964 -3.5941 -3.3451 -3.3352 -0.7802 -0.7729 -0.0926 -0.0897 -0.0158 -0.0081 0.6940 0.7010 1.0746 1.0754 1.2085 1.2135 2.5049 2.5113 2.6075 2.6095 12.4198 12.4273 12.6616 12.6711 13.2312 13.2358 13.4522 13.4565 k = 0.3857 0.5890 0.1676 ( 2331 PWs) bands (ev): -17.7379 -17.7378 -16.5133 -16.5099 -15.3289 -15.3251 -15.2839 -15.2804 -5.9588 -5.9557 -5.2603 -5.2546 -3.6150 -3.6125 -3.3360 -3.3258 -0.8062 -0.7990 -0.1151 -0.1126 0.0036 0.0111 0.7025 0.7097 1.1274 1.1284 1.2420 1.2482 2.4845 2.4912 2.6011 2.6031 12.3842 12.3918 12.6602 12.6697 13.2603 13.2647 13.4866 13.4909 k = 0.3789 0.5962 0.1775 ( 2333 PWs) bands (ev): -17.7430 -17.7429 -16.5077 -16.5042 -15.3292 -15.3253 -15.2800 -15.2764 -5.9983 -5.9950 -5.2340 -5.2282 -3.6343 -3.6317 -3.3271 -3.3166 -0.8306 -0.8235 -0.1365 -0.1341 0.0245 0.0318 0.7109 0.7183 1.1758 1.1782 1.2781 1.2857 2.4630 2.4701 2.5945 2.5965 12.3482 12.3560 12.6598 12.6692 13.2903 13.2946 13.5201 13.5245 k = 0.3722 0.6034 0.1873 ( 2337 PWs) bands (ev): -17.7490 -17.7490 -16.5010 -16.4974 -15.3293 -15.3253 -15.2760 -15.2721 -6.0395 -6.0361 -5.2068 -5.2008 -3.6544 -3.6516 -3.3184 -3.3076 -0.8530 -0.8460 -0.1563 -0.1541 0.0466 0.0537 0.7192 0.7268 1.2189 1.2227 1.3182 1.3270 2.4406 2.4479 2.5878 2.5899 12.3121 12.3201 12.6602 12.6696 13.3211 13.3252 13.5526 13.5570 k = 0.3655 0.6106 0.1972 ( 2339 PWs) bands (ev): -17.7561 -17.7560 -16.4932 -16.4895 -15.3292 -15.3251 -15.2717 -15.2677 -6.0823 -6.0788 -5.1788 -5.1728 -3.6750 -3.6721 -3.3100 -3.2989 -0.8736 -0.8665 -0.1747 -0.1726 0.0700 0.0768 0.7274 0.7353 1.2562 1.2607 1.3628 1.3724 2.4173 2.4249 2.5811 2.5832 12.2762 12.2843 12.6614 12.6708 13.3522 13.3562 13.5838 13.5881 k = 0.3588 0.6178 0.2071 ( 2343 PWs) bands (ev): -17.7641 -17.7641 -16.4841 -16.4804 -15.3289 -15.3248 -15.2673 -15.2631 -6.1265 -6.1230 -5.1503 -5.1442 -3.6962 -3.6932 -3.3019 -3.2906 -0.8920 -0.8850 -0.1913 -0.1894 0.0944 0.1010 0.7357 0.7437 1.2882 1.2931 1.4112 1.4209 2.3932 2.4010 2.5743 2.5764 12.2404 12.2488 12.6634 12.6726 13.3834 13.3872 13.6133 13.6176 k = 0.3588 0.6178 0.2071 ( 2343 PWs) bands (ev): -17.7641 -17.7641 -16.4841 -16.4804 -15.3289 -15.3248 -15.2673 -15.2631 -6.1265 -6.1230 -5.1503 -5.1442 -3.6962 -3.6932 -3.3019 -3.2906 -0.8920 -0.8850 -0.1913 -0.1894 0.0944 0.1010 0.7357 0.7437 1.2882 1.2931 1.4112 1.4209 2.3932 2.4010 2.5743 2.5764 12.2404 12.2488 12.6634 12.6726 13.3834 13.3872 13.6133 13.6176 k = 0.3464 0.6138 0.2126 ( 2343 PWs) bands (ev): -17.7698 -17.7697 -16.4777 -16.4739 -15.3285 -15.3244 -15.2647 -15.2604 -6.1545 -6.1510 -5.1317 -5.1255 -3.7087 -3.7056 -3.2982 -3.2869 -0.9008 -0.8937 -0.1993 -0.1974 0.1088 0.1152 0.7384 0.7466 1.3051 1.3100 1.4401 1.4498 2.3796 2.3875 2.5705 2.5726 12.2210 12.2295 12.6647 12.6739 13.3993 13.4031 13.6285 13.6328 k = 0.3340 0.6098 0.2181 ( 2343 PWs) bands (ev): -17.7770 -17.7770 -16.4693 -16.4654 -15.3278 -15.3236 -15.2619 -15.2575 -6.1878 -6.1843 -5.1086 -5.1023 -3.7220 -3.7189 -3.2961 -3.2847 -0.9076 -0.9006 -0.2058 -0.2038 0.1243 0.1306 0.7377 0.7461 1.3226 1.3278 1.4708 1.4804 2.3662 2.3742 2.5664 2.5687 12.2025 12.2111 12.6661 12.6753 13.4124 13.4160 13.6421 13.6464 k = 0.3216 0.6057 0.2236 ( 2349 PWs) bands (ev): -17.7857 -17.7857 -16.4591 -16.4553 -15.3268 -15.3226 -15.2589 -15.2544 -6.2255 -6.2220 -5.0818 -5.0755 -3.7361 -3.7328 -3.2956 -3.2841 -0.9125 -0.9055 -0.2110 -0.2087 0.1409 0.1470 0.7337 0.7425 1.3407 1.3461 1.5027 1.5123 2.3532 2.3613 2.5622 2.5646 12.1849 12.1935 12.6677 12.6769 13.4224 13.4260 13.6544 13.6586 k = 0.3093 0.6017 0.2291 ( 2351 PWs) bands (ev): -17.7956 -17.7956 -16.4476 -16.4438 -15.3254 -15.3212 -15.2557 -15.2511 -6.2664 -6.2630 -5.0523 -5.0460 -3.7506 -3.7473 -3.2964 -3.2849 -0.9157 -0.9088 -0.2149 -0.2123 0.1585 0.1645 0.7268 0.7360 1.3589 1.3647 1.5354 1.5450 2.3409 2.3490 2.5579 2.5606 12.1683 12.1770 12.6696 12.6787 13.4295 13.4329 13.6654 13.6696 k = 0.2969 0.5977 0.2346 ( 2346 PWs) bands (ev): -17.8066 -17.8066 -16.4349 -16.4310 -15.3237 -15.3194 -15.2523 -15.2476 -6.3098 -6.3064 -5.0207 -5.0144 -3.7656 -3.7622 -3.2987 -3.2872 -0.9173 -0.9103 -0.2176 -0.2146 0.1772 0.1829 0.7176 0.7273 1.3769 1.3832 1.5685 1.5781 2.3294 2.3376 2.5537 2.5566 12.1528 12.1614 12.6717 12.6808 13.4337 13.4369 13.6754 13.6796 k = 0.2845 0.5937 0.2401 ( 2351 PWs) bands (ev): -17.8183 -17.8183 -16.4212 -16.4174 -15.3217 -15.3174 -15.2488 -15.2439 -6.3550 -6.3517 -4.9878 -4.9815 -3.7807 -3.7773 -3.3023 -3.2908 -0.9172 -0.9104 -0.2192 -0.2158 0.1967 0.2023 0.7063 0.7165 1.3943 1.4011 1.6015 1.6111 2.3191 2.3272 2.5495 2.5527 12.1383 12.1470 12.6741 12.6832 13.4350 13.4382 13.6844 13.6884 k = 0.2722 0.5897 0.2456 ( 2351 PWs) bands (ev): -17.8307 -17.8307 -16.4069 -16.4031 -15.3193 -15.3150 -15.2450 -15.2400 -6.4013 -6.3980 -4.9541 -4.9477 -3.7958 -3.7923 -3.3072 -3.2957 -0.9157 -0.9089 -0.2200 -0.2161 0.2171 0.2225 0.6936 0.7044 1.4104 1.4177 1.6341 1.6436 2.3102 2.3183 2.5455 2.5490 12.1250 12.1336 12.6769 12.6859 13.4338 13.4369 13.6923 13.6963 k = 0.2598 0.5856 0.2510 ( 2351 PWs) bands (ev): -17.8436 -17.8435 -16.3921 -16.3884 -15.3167 -15.3124 -15.2410 -15.2360 -6.4482 -6.4449 -4.9200 -4.9136 -3.8107 -3.8072 -3.3134 -3.3020 -0.9128 -0.9061 -0.2199 -0.2156 0.2381 0.2433 0.6798 0.6912 1.4248 1.4326 1.6660 1.6754 2.3030 2.3110 2.5418 2.5457 12.1129 12.1213 12.6799 12.6889 13.4302 13.4332 13.6993 13.7032 k = 0.2474 0.5816 0.2565 ( 2349 PWs) bands (ev): -17.8567 -17.8566 -16.3771 -16.3735 -15.3138 -15.3096 -15.2368 -15.2317 -6.4951 -6.4920 -4.8859 -4.8796 -3.8252 -3.8216 -3.3208 -3.3094 -0.9086 -0.9020 -0.2192 -0.2145 0.2596 0.2646 0.6655 0.6776 1.4369 1.4452 1.6968 1.7061 2.2977 2.3056 2.5385 2.5429 12.1019 12.1102 12.6833 12.6922 13.4246 13.4275 13.7053 13.7091 k = 0.2351 0.5776 0.2620 ( 2349 PWs) bands (ev): -17.8699 -17.8699 -16.3621 -16.3585 -15.3107 -15.3065 -15.2325 -15.2273 -6.5418 -6.5387 -4.8522 -4.8460 -3.8391 -3.8354 -3.3293 -3.3179 -0.9032 -0.8967 -0.2179 -0.2128 0.2811 0.2860 0.6512 0.6641 1.4464 1.4552 1.7263 1.7356 2.2944 2.3021 2.5359 2.5407 12.0920 12.1001 12.6870 12.6957 13.4171 13.4199 13.7103 13.7139 k = 0.2227 0.5736 0.2675 ( 2349 PWs) bands (ev): -17.8832 -17.8831 -16.3472 -16.3436 -15.3075 -15.3033 -15.2279 -15.2227 -6.5878 -6.5849 -4.8192 -4.8130 -3.8522 -3.8484 -3.3388 -3.3275 -0.8967 -0.8904 -0.2162 -0.2108 0.3022 0.3070 0.6378 0.6515 1.4527 1.4619 1.7545 1.7635 2.2931 2.3007 2.5341 2.5393 12.0833 12.0912 12.6910 12.6996 13.4080 13.4109 13.7143 13.7178 k = 0.2103 0.5696 0.2730 ( 2350 PWs) bands (ev): -17.8963 -17.8962 -16.3325 -16.3291 -15.3041 -15.3000 -15.2232 -15.2180 -6.6329 -6.6301 -4.7872 -4.7811 -3.8642 -3.8604 -3.3493 -3.3382 -0.8893 -0.8831 -0.2142 -0.2085 0.3222 0.3270 0.6260 0.6406 1.4556 1.4652 1.7811 1.7898 2.2937 2.3012 2.5333 2.5389 12.0757 12.0834 12.6952 12.7036 13.3977 13.4006 13.7174 13.7208 k = 0.1979 0.5655 0.2785 ( 2349 PWs) bands (ev): -17.9091 -17.9090 -16.3183 -16.3150 -15.3007 -15.2967 -15.2183 -15.2131 -6.6767 -6.6740 -4.7563 -4.7505 -3.8750 -3.8711 -3.3608 -3.3497 -0.8811 -0.8750 -0.2119 -0.2059 0.3400 0.3450 0.6171 0.6326 1.4549 1.4648 1.8061 1.8145 2.2959 2.3032 2.5338 2.5398 12.0692 12.0766 12.6996 12.7077 13.3863 13.3893 13.7196 13.7229 k = 0.1856 0.5615 0.2840 ( 2344 PWs) bands (ev): -17.9216 -17.9215 -16.3046 -16.3014 -15.2972 -15.2934 -15.2132 -15.2081 -6.7191 -6.7165 -4.7270 -4.7213 -3.8844 -3.8804 -3.3730 -3.3622 -0.8721 -0.8662 -0.2095 -0.2033 0.3546 0.3597 0.6124 0.6286 1.4505 1.4606 1.8295 1.8375 2.2993 2.3065 2.5358 2.5421 12.0637 12.0708 12.7040 12.7120 13.3742 13.3772 13.7211 13.7243 k = 0.1732 0.5575 0.2895 ( 2349 PWs) bands (ev): -17.9336 -17.9336 -16.2915 -16.2885 -15.2938 -15.2901 -15.2080 -15.2030 -6.7597 -6.7572 -4.6993 -4.6938 -3.8922 -3.8880 -3.3860 -3.3754 -0.8625 -0.8569 -0.2070 -0.2006 0.3648 0.3700 0.6134 0.6300 1.4424 1.4526 1.8514 1.8589 2.3034 2.3105 2.5395 2.5460 12.0592 12.0660 12.7085 12.7162 13.3614 13.3645 13.7218 13.7250 k = 0.1608 0.5535 0.2950 ( 2349 PWs) bands (ev): -17.9452 -17.9451 -16.2792 -16.2763 -15.2904 -15.2869 -15.2027 -15.1979 -6.7984 -6.7961 -4.6735 -4.6683 -3.8982 -3.8940 -3.3997 -3.3892 -0.8525 -0.8471 -0.2045 -0.1980 0.3700 0.3749 0.6210 0.6375 1.4306 1.4410 1.8719 1.8789 2.3077 2.3146 2.5449 2.5515 12.0557 12.0621 12.7130 12.7203 13.3484 13.3516 13.7221 13.7251 k = 0.1485 0.5495 0.3005 ( 2350 PWs) bands (ev): -17.9561 -17.9560 -16.2676 -16.2649 -15.2871 -15.2838 -15.1974 -15.1928 -6.8349 -6.8328 -4.6498 -4.6448 -3.9024 -3.8981 -3.4139 -3.4037 -0.8422 -0.8371 -0.2020 -0.1954 0.3701 0.3745 0.6352 0.6512 1.4156 1.4260 1.8909 1.8974 2.3118 2.3185 2.5521 2.5587 12.0531 12.0591 12.7173 12.7243 13.3352 13.3385 13.7219 13.7247 k = 0.1361 0.5454 0.3060 ( 2350 PWs) bands (ev): -17.9663 -17.9663 -16.2568 -16.2543 -15.2840 -15.2809 -15.1921 -15.1877 -6.8692 -6.8672 -4.6281 -4.6235 -3.9047 -3.9002 -3.4284 -3.4185 -0.8318 -0.8269 -0.1996 -0.1930 0.3659 0.3698 0.6552 0.6705 1.3974 1.4079 1.9085 1.9144 2.3153 2.3217 2.5610 2.5673 12.0513 12.0569 12.7214 12.7280 13.3222 13.3255 13.7213 13.7241 k = 0.1237 0.5414 0.3115 ( 2353 PWs) bands (ev): -17.9759 -17.9758 -16.2469 -16.2446 -15.2811 -15.2782 -15.1869 -15.1828 -6.9010 -6.8992 -4.6088 -4.6045 -3.9050 -3.9005 -3.4432 -3.4337 -0.8214 -0.8168 -0.1973 -0.1908 0.3586 0.3620 0.6798 0.6942 1.3766 1.3870 1.9247 1.9301 2.3181 2.3241 2.5711 2.5771 12.0502 12.0554 12.7252 12.7314 13.3095 13.3127 13.7206 13.7232 k = 0.1113 0.5374 0.3170 ( 2353 PWs) bands (ev): -17.9846 -17.9846 -16.2379 -16.2358 -15.2783 -15.2757 -15.1819 -15.1781 -6.9302 -6.9286 -4.5916 -4.5878 -3.9035 -3.8990 -3.4581 -3.4490 -0.8113 -0.8070 -0.1951 -0.1888 0.3492 0.3523 0.7077 0.7214 1.3533 1.3637 1.9395 1.9444 2.3201 2.3257 2.5822 2.5877 12.0497 12.0545 12.7286 12.7344 13.2973 13.3005 13.7198 13.7222 k = 0.0990 0.5334 0.3225 ( 2349 PWs) bands (ev): -17.9926 -17.9925 -16.2298 -16.2279 -15.2758 -15.2735 -15.1771 -15.1737 -6.9567 -6.9552 -4.5768 -4.5733 -3.9004 -3.8958 -3.4729 -3.4642 -0.8015 -0.7975 -0.1931 -0.1871 0.3389 0.3418 0.7379 0.7509 1.3280 1.3383 1.9530 1.9574 2.3215 2.3265 2.5936 2.5986 12.0498 12.0542 12.7317 12.7369 13.2859 13.2889 13.7189 13.7212 k = 0.0866 0.5294 0.3280 ( 2349 PWs) bands (ev): -17.9997 -17.9996 -16.2227 -16.2210 -15.2736 -15.2715 -15.1726 -15.1696 -6.9804 -6.9790 -4.5641 -4.5610 -3.8958 -3.8914 -3.4872 -3.4791 -0.7922 -0.7887 -0.1912 -0.1856 0.3284 0.3311 0.7698 0.7821 1.3010 1.3113 1.9650 1.9689 2.3222 2.3267 2.6050 2.6094 12.0503 12.0542 12.7343 12.7391 13.2753 13.2782 13.7181 13.7202 k = 0.0742 0.5253 0.3335 ( 2352 PWs) bands (ev): -18.0059 -18.0058 -16.2164 -16.2150 -15.2716 -15.2698 -15.1685 -15.1659 -7.0010 -6.9999 -4.5535 -4.5509 -3.8902 -3.8860 -3.5008 -3.4934 -0.7837 -0.7806 -0.1894 -0.1844 0.3183 0.3208 0.8024 0.8141 1.2729 1.2830 1.9756 1.9789 2.3225 2.3263 2.6158 2.6196 12.0511 12.0545 12.7366 12.7407 13.2659 13.2685 13.7174 13.7192 k = 0.0619 0.5213 0.3390 ( 2350 PWs) bands (ev): -18.0112 -18.0111 -16.2111 -16.2099 -15.2699 -15.2684 -15.1649 -15.1627 -7.0187 -7.0177 -4.5448 -4.5426 -3.8840 -3.8801 -3.5133 -3.5068 -0.7762 -0.7735 -0.1879 -0.1834 0.3092 0.3114 0.8353 0.8463 1.2442 1.2540 1.9847 1.9875 2.3225 2.3257 2.6258 2.6289 12.0521 12.0549 12.7384 12.7420 13.2576 13.2600 13.7168 13.7184 k = 0.0495 0.5173 0.3445 ( 2354 PWs) bands (ev): -18.0155 -18.0155 -16.2068 -16.2058 -15.2684 -15.2672 -15.1618 -15.1600 -7.0332 -7.0324 -4.5379 -4.5362 -3.8776 -3.8742 -3.5243 -3.5188 -0.7696 -0.7675 -0.1865 -0.1828 0.3013 0.3033 0.8675 0.8777 1.2156 1.2249 1.9923 1.9945 2.3224 2.3250 2.6344 2.6368 12.0531 12.0554 12.7399 12.7428 13.2508 13.2527 13.7164 13.7177 k = 0.0371 0.5133 0.3500 ( 2350 PWs) bands (ev): -18.0189 -18.0189 -16.2034 -16.2027 -15.2673 -15.2664 -15.1593 -15.1579 -7.0445 -7.0440 -4.5327 -4.5314 -3.8717 -3.8689 -3.5333 -3.5290 -0.7644 -0.7627 -0.1853 -0.1824 0.2950 0.2965 0.8981 0.9072 1.1885 1.1969 1.9983 2.0000 2.3222 2.3241 2.6414 2.6433 12.0541 12.0558 12.7411 12.7433 13.2454 13.2470 13.7161 13.7171 k = 0.0247 0.5093 0.3555 ( 2346 PWs) bands (ev): -18.0214 -18.0214 -16.2009 -16.2004 -15.2664 -15.2658 -15.1574 -15.1565 -7.0526 -7.0522 -4.5290 -4.5282 -3.8668 -3.8648 -3.5399 -3.5369 -0.7604 -0.7593 -0.1843 -0.1823 0.2905 0.2915 0.9251 0.9324 1.1649 1.1717 2.0027 2.0038 2.3221 2.3234 2.6467 2.6479 12.0550 12.0561 12.7420 12.7435 13.2417 13.2427 13.7160 13.7167 k = 0.0124 0.5052 0.3610 ( 2348 PWs) bands (ev): -18.0228 -18.0228 -16.1994 -16.1992 -15.2658 -15.2655 -15.1561 -15.1557 -7.0575 -7.0573 -4.5268 -4.5264 -3.8634 -3.8624 -3.5438 -3.5422 -0.7579 -0.7573 -0.1835 -0.1825 0.2878 0.2883 0.9455 0.9498 1.1484 1.1525 2.0054 2.0060 2.3221 2.3228 2.6501 2.6507 12.0556 12.0562 12.7427 12.7434 13.2395 13.2400 13.7160 13.7163 k = 0.0000 0.5012 0.3665 ( 2352 PWs) bands (ev): -18.0233 -18.0233 -16.1988 -16.1988 -15.2655 -15.2655 -15.1556 -15.1556 -7.0590 -7.0590 -4.5259 -4.5259 -3.8619 -3.8619 -3.5446 -3.5446 -0.7568 -0.7568 -0.1829 -0.1829 0.2871 0.2871 0.9548 0.9548 1.1437 1.1437 2.0065 2.0065 2.3224 2.3224 2.6514 2.6514 12.0561 12.0561 12.7432 12.7432 13.2389 13.2389 13.7161 13.7161 k = 0.0000 0.5012 0.3665 ( 2352 PWs) bands (ev): -18.0233 -18.0233 -16.1988 -16.1988 -15.2655 -15.2655 -15.1556 -15.1556 -7.0590 -7.0590 -4.5259 -4.5259 -3.8619 -3.8619 -3.5446 -3.5446 -0.7568 -0.7568 -0.1829 -0.1829 0.2871 0.2871 0.9548 0.9548 1.1437 1.1437 2.0065 2.0065 2.3224 2.3224 2.6514 2.6514 12.0561 12.0561 12.7432 12.7432 13.2389 13.2389 13.7161 13.7161 k = 0.0069 0.4938 0.3767 ( 2354 PWs) bands (ev): -18.0228 -18.0228 -16.1995 -16.1992 -15.2660 -15.2656 -15.1557 -15.1556 -7.0580 -7.0578 -4.5290 -4.5280 -3.8608 -3.8596 -3.5443 -3.5440 -0.7575 -0.7573 -0.1839 -0.1833 0.2866 0.2874 0.9559 0.9566 1.1440 1.1444 2.0053 2.0063 2.3223 2.3235 2.6508 2.6512 12.0570 12.0571 12.7432 12.7437 13.2359 13.2373 13.7165 13.7184 k = 0.0139 0.4863 0.3869 ( 2348 PWs) bands (ev): -18.0214 -18.0214 -16.2012 -16.2006 -15.2669 -15.2661 -15.1559 -15.1556 -7.0548 -7.0544 -4.5372 -4.5351 -3.8564 -3.8541 -3.5431 -3.5425 -0.7594 -0.7589 -0.1865 -0.1853 0.2860 0.2875 0.9599 0.9614 1.1455 1.1462 2.0027 2.0045 2.3234 2.3258 2.6495 2.6502 12.0600 12.0602 12.7437 12.7449 13.2284 13.2311 13.7196 13.7233 k = 0.0208 0.4789 0.3971 ( 2352 PWs) bands (ev): -18.0190 -18.0189 -16.2039 -16.2031 -15.2682 -15.2670 -15.1562 -15.1558 -7.0495 -7.0489 -4.5502 -4.5471 -3.8490 -3.8456 -3.5410 -3.5402 -0.7623 -0.7617 -0.1906 -0.1888 0.2852 0.2874 0.9667 0.9689 1.1480 1.1490 1.9986 2.0012 2.3255 2.3290 2.6474 2.6484 12.0650 12.0652 12.7447 12.7465 13.2169 13.2208 13.7250 13.7303 k = 0.0278 0.4714 0.4072 ( 2352 PWs) bands (ev): -18.0156 -18.0156 -16.2077 -16.2067 -15.2700 -15.2684 -15.1565 -15.1560 -7.0419 -7.0411 -4.5676 -4.5637 -3.8389 -3.8345 -3.5381 -3.5371 -0.7663 -0.7654 -0.1961 -0.1938 0.2845 0.2873 0.9761 0.9789 1.1516 1.1529 1.9932 1.9966 2.3287 2.3332 2.6446 2.6459 12.0720 12.0722 12.7463 12.7486 13.2021 13.2069 13.7320 13.7388 k = 0.0347 0.4640 0.4174 ( 2352 PWs) bands (ev): -18.0113 -18.0112 -16.2126 -16.2113 -15.2721 -15.2702 -15.1570 -15.1564 -7.0322 -7.0312 -4.5890 -4.5844 -3.8264 -3.8212 -3.5344 -3.5331 -0.7712 -0.7701 -0.2030 -0.2001 0.2837 0.2872 0.9878 0.9912 1.1562 1.1579 1.9866 1.9907 2.3328 2.3383 2.6410 2.6426 12.0809 12.0812 12.7482 12.7512 13.1846 13.1901 13.7399 13.7479 k = 0.0417 0.4565 0.4276 ( 2346 PWs) bands (ev): -18.0060 -18.0059 -16.2185 -16.2169 -15.2746 -15.2723 -15.1576 -15.1569 -7.0204 -7.0192 -4.6140 -4.6088 -3.8120 -3.8061 -3.5299 -3.5283 -0.7768 -0.7755 -0.2111 -0.2078 0.2831 0.2871 1.0015 1.0053 1.1620 1.1640 1.9789 1.9836 2.3378 2.3441 2.6367 2.6387 12.0917 12.0921 12.7504 12.7541 13.1651 13.1711 13.7480 13.7571 k = 0.0486 0.4491 0.4378 ( 2348 PWs) bands (ev): -17.9998 -17.9998 -16.2254 -16.2236 -15.2774 -15.2747 -15.1583 -15.1575 -7.0065 -7.0052 -4.6421 -4.6364 -3.7962 -3.7897 -3.5247 -3.5228 -0.7831 -0.7816 -0.2206 -0.2167 0.2827 0.2872 1.0167 1.0207 1.1689 1.1712 1.9704 1.9755 2.3435 2.3505 2.6317 2.6342 12.1044 12.1048 12.7529 12.7573 13.1442 13.1506 13.7555 13.7654 k = 0.0556 0.4417 0.4480 ( 2350 PWs) bands (ev): -17.9928 -17.9927 -16.2334 -16.2314 -15.2804 -15.2774 -15.1591 -15.1583 -6.9906 -6.9891 -4.6729 -4.6668 -3.7792 -3.7722 -3.5189 -3.5167 -0.7898 -0.7881 -0.2311 -0.2267 0.2827 0.2876 1.0329 1.0370 1.1769 1.1796 1.9611 1.9666 2.3498 2.3574 2.6262 2.6290 12.1187 12.1193 12.7554 12.7606 13.1227 13.1292 13.7618 13.7724 k = 0.0625 0.4342 0.4581 ( 2354 PWs) bands (ev): -17.9848 -17.9847 -16.2423 -16.2401 -15.2836 -15.2803 -15.1600 -15.1592 -6.9727 -6.9710 -4.7062 -4.6997 -3.7615 -3.7541 -3.5124 -3.5100 -0.7968 -0.7949 -0.2426 -0.2379 0.2831 0.2883 1.0495 1.0535 1.1863 1.1894 1.9514 1.9572 2.3565 2.3646 2.6200 2.6233 12.1348 12.1354 12.7579 12.7639 13.1010 13.1075 13.7663 13.7775 k = 0.0694 0.4268 0.4683 ( 2356 PWs) bands (ev): -17.9761 -17.9760 -16.2523 -16.2499 -15.2869 -15.2834 -15.1611 -15.1602 -6.9528 -6.9509 -4.7415 -4.7348 -3.7433 -3.7355 -3.5055 -3.5028 -0.8039 -0.8019 -0.2551 -0.2499 0.2840 0.2895 1.0660 1.0695 1.1970 1.2007 1.9415 1.9475 2.3635 2.3720 2.6134 2.6171 12.1525 12.1532 12.7602 12.7671 13.0796 13.0861 13.7686 13.7802 k = 0.0764 0.4193 0.4785 ( 2354 PWs) bands (ev): -17.9665 -17.9664 -16.2632 -16.2606 -15.2903 -15.2865 -15.1623 -15.1614 -6.9311 -6.9290 -4.7787 -4.7717 -3.7249 -3.7168 -3.4981 -3.4952 -0.8109 -0.8087 -0.2684 -0.2628 0.2854 0.2912 1.0814 1.0844 1.2093 1.2137 1.9317 1.9378 2.3706 2.3794 2.6064 2.6105 12.1717 12.1724 12.7621 12.7699 13.0590 13.0653 13.7682 13.7802 k = 0.0833 0.4119 0.4887 ( 2354 PWs) bands (ev): -17.9562 -17.9561 -16.2751 -16.2723 -15.2937 -15.2896 -15.1636 -15.1627 -6.9075 -6.9052 -4.8175 -4.8103 -3.7064 -3.6980 -3.4904 -3.4872 -0.8177 -0.8153 -0.2824 -0.2764 0.2875 0.2935 1.0953 1.0974 1.2231 1.2283 1.9223 1.9285 2.3776 2.3867 2.5990 2.6037 12.1923 12.1931 12.7633 12.7721 13.0397 13.0458 13.7650 13.7772 k = 0.0903 0.4044 0.4989 ( 2348 PWs) bands (ev): -17.9451 -17.9450 -16.2878 -16.2849 -15.2970 -15.2927 -15.1650 -15.1642 -6.8821 -6.8797 -4.8576 -4.8504 -3.6881 -3.6795 -3.4824 -3.4789 -0.8239 -0.8214 -0.2970 -0.2907 0.2904 0.2965 1.1070 1.1083 1.2383 1.2445 1.9138 1.9201 2.3844 2.3936 2.5914 2.5966 12.2141 12.2150 12.7637 12.7735 13.0219 13.0278 13.7588 13.7712 k = 0.0972 0.3970 0.5090 ( 2348 PWs) bands (ev): -17.9334 -17.9333 -16.3014 -16.2983 -15.3003 -15.2958 -15.1666 -15.1658 -6.8550 -6.8525 -4.8991 -4.8917 -3.6700 -3.6612 -3.4743 -3.4705 -0.8296 -0.8269 -0.3121 -0.3055 0.2940 0.3002 1.1159 1.1167 1.2547 1.2619 1.9065 1.9129 2.3907 2.4000 2.5836 2.5895 12.2371 12.2381 12.7631 12.7740 13.0061 13.0118 13.7495 13.7621 k = 0.1042 0.3895 0.5192 ( 2350 PWs) bands (ev): -17.9210 -17.9209 -16.3158 -16.3126 -15.3034 -15.2987 -15.1683 -15.1676 -6.8263 -6.8236 -4.9416 -4.9342 -3.6522 -3.6433 -3.4661 -3.4620 -0.8345 -0.8316 -0.3276 -0.3207 0.2984 0.3046 1.1216 1.1227 1.2720 1.2801 1.9009 1.9074 2.3964 2.4057 2.5759 2.5823 12.2610 12.2621 12.7613 12.7732 12.9925 12.9980 13.7373 13.7500 k = 0.1111 0.3821 0.5294 ( 2352 PWs) bands (ev): -17.9081 -17.9080 -16.3309 -16.3276 -15.3064 -15.3015 -15.1702 -15.1694 -6.7960 -6.7932 -4.9852 -4.9777 -3.6349 -3.6259 -3.4579 -3.4535 -0.8386 -0.8354 -0.3434 -0.3364 0.3036 0.3100 1.1241 1.1258 1.2897 1.2985 1.8973 1.9040 2.4012 2.4106 2.5682 2.5753 12.2858 12.2871 12.7584 12.7713 12.9811 12.9866 13.7223 13.7351 k = 0.1181 0.3746 0.5396 ( 2354 PWs) bands (ev): -17.8947 -17.8946 -16.3467 -16.3432 -15.3091 -15.3041 -15.1721 -15.1714 -6.7643 -6.7612 -5.0296 -5.0221 -3.6181 -3.6090 -3.4498 -3.4451 -0.8416 -0.8382 -0.3596 -0.3523 0.3098 0.3162 1.1237 1.1259 1.3073 1.3167 1.8963 1.9031 2.4049 2.4143 2.5608 2.5686 12.3113 12.3127 12.7545 12.7681 12.9719 12.9775 13.7047 13.7175 k = 0.1250 0.3672 0.5498 ( 2356 PWs) bands (ev): -17.8809 -17.8808 -16.3630 -16.3594 -15.3117 -15.3065 -15.1741 -15.1735 -6.7310 -6.7279 -5.0747 -5.0673 -3.6019 -3.5927 -3.4418 -3.4369 -0.8435 -0.8399 -0.3759 -0.3684 0.3170 0.3234 1.1201 1.1226 1.3245 1.3343 1.8980 1.9051 2.4076 2.4168 2.5538 2.5622 12.3373 12.3388 12.7497 12.7640 12.9649 12.9706 13.6847 13.6975 k = 0.1319 0.3598 0.5599 ( 2354 PWs) bands (ev): -17.8668 -17.8667 -16.3798 -16.3761 -15.3140 -15.3087 -15.1762 -15.1757 -6.6964 -6.6932 -5.1206 -5.1131 -3.5862 -3.5771 -3.4342 -3.4290 -0.8441 -0.8403 -0.3924 -0.3847 0.3252 0.3316 1.1133 1.1161 1.3411 1.3511 1.9026 1.9100 2.4089 2.4180 2.5473 2.5563 12.3636 12.3653 12.7444 12.7591 12.9598 12.9655 13.6628 13.6756 k = 0.1389 0.3523 0.5701 ( 2352 PWs) bands (ev): -17.8524 -17.8523 -16.3969 -16.3931 -15.3160 -15.3106 -15.1784 -15.1779 -6.6606 -6.6572 -5.1670 -5.1596 -3.5713 -3.5621 -3.4268 -3.4214 -0.8436 -0.8395 -0.4089 -0.4012 0.3345 0.3409 1.1032 1.1062 1.3568 1.3669 1.9102 1.9180 2.4090 2.4179 2.5413 2.5507 12.3901 12.3919 12.7390 12.7539 12.9562 12.9620 13.6391 13.6519 k = 0.1458 0.3449 0.5803 ( 2350 PWs) bands (ev): -17.8379 -17.8378 -16.4142 -16.4104 -15.3178 -15.3123 -15.1806 -15.1802 -6.6235 -6.6200 -5.2140 -5.2065 -3.5570 -3.5478 -3.4199 -3.4142 -0.8417 -0.8374 -0.4255 -0.4177 0.3449 0.3513 1.0899 1.0929 1.3717 1.3817 1.9207 1.9288 2.4079 2.4165 2.5357 2.5455 12.4165 12.4185 12.7337 12.7487 12.9538 12.9597 13.6141 13.6268 k = 0.1528 0.3374 0.5905 ( 2352 PWs) bands (ev): -17.8233 -17.8232 -16.4315 -16.4277 -15.3194 -15.3137 -15.1829 -15.1825 -6.5853 -6.5817 -5.2614 -5.2540 -3.5433 -3.5342 -3.4135 -3.4076 -0.8386 -0.8339 -0.4421 -0.4342 0.3564 0.3628 1.0734 1.0765 1.3858 1.3955 1.9337 1.9421 2.4058 2.4140 2.5305 2.5405 12.4425 12.4448 12.7290 12.7439 12.9522 12.9582 13.5882 13.6007 k = 0.1597 0.3300 0.6007 ( 2360 PWs) bands (ev): -17.8088 -17.8087 -16.4489 -16.4450 -15.3207 -15.3150 -15.1852 -15.1848 -6.5460 -6.5423 -5.3092 -5.3018 -3.5304 -3.5214 -3.4075 -3.4014 -0.8342 -0.8292 -0.4587 -0.4507 0.3691 0.3755 1.0540 1.0571 1.3990 1.4083 1.9489 1.9577 2.4028 2.4106 2.5254 2.5355 12.4681 12.4706 12.7251 12.7397 12.9511 12.9573 13.5615 13.5739 k = 0.1667 0.3225 0.6109 ( 2362 PWs) bands (ev): -17.7945 -17.7944 -16.4659 -16.4620 -15.3217 -15.3160 -15.1874 -15.1871 -6.5058 -6.5020 -5.3573 -5.3499 -3.5182 -3.5092 -3.4021 -3.3959 -0.8285 -0.8232 -0.4753 -0.4673 0.3830 0.3895 1.0320 1.0349 1.4114 1.4203 1.9658 1.9749 2.3992 2.4066 2.5204 2.5305 12.4929 12.4958 12.7221 12.7363 12.9504 12.9567 13.5346 13.5468 k = 0.1736 0.3151 0.6210 ( 2360 PWs) bands (ev): -17.7805 -17.7805 -16.4826 -16.4787 -15.3225 -15.3167 -15.1897 -15.1894 -6.4646 -6.4607 -5.4056 -5.3982 -3.5068 -3.4979 -3.3973 -3.3909 -0.8216 -0.8159 -0.4917 -0.4837 0.3983 0.4048 1.0075 1.0104 1.4230 1.4315 1.9840 1.9932 2.3954 2.4024 2.5151 2.5251 12.5167 12.5200 12.7203 12.7339 12.9498 12.9564 13.5077 13.5197 k = 0.1806 0.3076 0.6312 ( 2362 PWs) bands (ev): -17.7671 -17.7670 -16.4987 -16.4948 -15.3231 -15.3173 -15.1918 -15.1916 -6.4226 -6.4187 -5.4540 -5.4467 -3.4960 -3.4873 -3.3931 -3.3866 -0.8135 -0.8075 -0.5081 -0.5002 0.4148 0.4213 0.9810 0.9838 1.4339 1.4419 2.0029 2.0122 2.3916 2.3983 2.5095 2.5192 12.5392 12.5431 12.7196 12.7323 12.9494 12.9562 13.4812 13.4929 k = 0.1875 0.3002 0.6414 ( 2364 PWs) bands (ev): -17.7542 -17.7541 -16.5141 -16.5101 -15.3236 -15.3177 -15.1939 -15.1937 -6.3799 -6.3760 -5.5025 -5.4952 -3.4861 -3.4775 -3.3895 -3.3830 -0.8045 -0.7979 -0.5244 -0.5165 0.4325 0.4392 0.9529 0.9556 1.4440 1.4515 2.0219 2.0313 2.3882 2.3947 2.5033 2.5127 12.5602 12.5650 12.7200 12.7316 12.9490 12.9561 13.4556 13.4668 k = 0.1944 0.2928 0.6516 ( 2368 PWs) bands (ev): -17.7421 -17.7421 -16.5285 -16.5245 -15.3239 -15.3180 -15.1959 -15.1957 -6.3366 -6.3326 -5.5510 -5.5437 -3.4769 -3.4686 -3.3864 -3.3799 -0.7945 -0.7875 -0.5405 -0.5327 0.4516 0.4584 0.9235 0.9260 1.4533 1.4602 2.0406 2.0500 2.3856 2.3918 2.4965 2.5055 12.5796 12.5854 12.7213 12.7315 12.9487 12.9561 13.4310 13.4417 k = 0.2014 0.2853 0.6618 ( 2370 PWs) bands (ev): -17.7309 -17.7309 -16.5418 -16.5377 -15.3240 -15.3181 -15.1977 -15.1976 -6.2928 -6.2888 -5.5993 -5.5919 -3.4685 -3.4605 -3.3840 -3.3775 -0.7837 -0.7761 -0.5564 -0.5487 0.4718 0.4789 0.8932 0.8956 1.4618 1.4682 2.0585 2.0676 2.3839 2.3899 2.4891 2.4977 12.5970 12.6043 12.7233 12.7318 12.9486 12.9563 13.4080 13.4180 k = 0.2083 0.2779 0.6719 ( 2366 PWs) bands (ev): -17.7209 -17.7208 -16.5537 -16.5497 -15.3241 -15.3182 -15.1993 -15.1992 -6.2488 -6.2448 -5.6473 -5.6399 -3.4610 -3.4533 -3.3820 -3.3757 -0.7724 -0.7641 -0.5721 -0.5644 0.4932 0.5006 0.8624 0.8647 1.4693 1.4752 2.0750 2.0838 2.3834 2.3895 2.4810 2.4891 12.6125 12.6216 12.7256 12.7322 12.9488 12.9568 13.3870 13.3961 k = 0.2153 0.2704 0.6821 ( 2368 PWs) bands (ev): -17.7121 -17.7120 -16.5642 -16.5602 -15.3241 -15.3182 -15.2008 -15.2007 -6.2046 -6.2007 -5.6948 -5.6872 -3.4544 -3.4471 -3.3805 -3.3744 -0.7607 -0.7516 -0.5874 -0.5797 0.5156 0.5234 0.8314 0.8337 1.4758 1.4812 2.0897 2.0981 2.3843 2.3905 2.4725 2.4800 12.6260 12.6373 12.7278 12.7322 12.9492 12.9575 13.3683 13.3764 k = 0.2222 0.2630 0.6923 ( 2372 PWs) bands (ev): -17.7046 -17.7046 -16.5730 -16.5690 -15.3241 -15.3181 -15.2020 -15.2020 -6.1609 -6.1572 -5.7412 -5.7335 -3.4487 -3.4419 -3.3795 -3.3736 -0.7489 -0.7389 -0.6023 -0.5944 0.5386 0.5471 0.8008 0.8032 1.4812 1.4863 2.1023 2.1101 2.3865 2.3931 2.4636 2.4706 12.6374 12.6511 12.7296 12.7318 12.9500 12.9584 13.3524 13.3592 k = 0.2292 0.2555 0.7025 ( 2376 PWs) bands (ev): -17.6987 -17.6987 -16.5801 -16.5760 -15.3240 -15.3180 -15.2030 -15.2030 -6.1183 -6.1149 -5.7859 -5.7778 -3.4442 -3.4378 -3.3787 -3.3731 -0.7376 -0.7263 -0.6163 -0.6080 0.5617 0.5713 0.7710 0.7740 1.4856 1.4903 2.1124 2.1195 2.3900 2.3973 2.4546 2.4611 12.6465 12.6630 12.7300 12.7316 12.9508 12.9594 13.3397 13.3451 k = 0.2361 0.2481 0.7127 ( 2382 PWs) bands (ev): -17.6944 -17.6943 -16.5852 -16.5811 -15.3240 -15.3180 -15.2037 -15.2037 -6.0788 -6.0760 -5.8268 -5.8182 -3.4408 -3.4349 -3.3782 -3.3729 -0.7276 -0.7146 -0.6288 -0.6198 0.5836 0.5948 0.7434 0.7477 1.4887 1.4931 2.1198 2.1263 2.3942 2.4025 2.4462 2.4523 12.6534 12.6725 12.7284 12.7322 12.9517 12.9602 13.3305 13.3343 k = 0.2431 0.2406 0.7228 ( 2384 PWs) bands (ev): -17.6918 -17.6917 -16.5883 -16.5842 -15.3239 -15.3179 -15.2041 -15.2041 -6.0471 -6.0451 -5.8595 -5.8500 -3.4386 -3.4331 -3.3779 -3.3729 -0.7203 -0.7054 -0.6384 -0.6281 0.6012 0.6149 0.7208 0.7275 1.4906 1.4949 2.1243 2.1303 2.3980 2.4078 2.4393 2.4455 12.6576 12.6789 12.7267 12.7325 12.9524 12.9608 13.3252 13.3274 k = 0.2500 0.2332 0.7330 ( 2392 PWs) bands (ev): -17.6909 -17.6908 -16.5893 -16.5853 -15.3239 -15.3179 -15.2043 -15.2043 -6.0337 -6.0322 -5.8732 -5.8632 -3.4379 -3.4326 -3.3778 -3.3729 -0.7175 -0.7017 -0.6423 -0.6312 0.6085 0.6239 0.7109 0.7192 1.4912 1.4954 2.1258 2.1317 2.3996 2.4103 2.4362 2.4428 12.6590 12.6813 12.7260 12.7326 12.9526 12.9611 13.3237 13.3248 k = 0.2500 0.2332 0.7330 ( 2392 PWs) bands (ev): -17.6909 -17.6908 -16.5893 -16.5853 -15.3239 -15.3179 -15.2043 -15.2043 -6.0337 -6.0322 -5.8732 -5.8632 -3.4379 -3.4326 -3.3778 -3.3729 -0.7175 -0.7017 -0.6423 -0.6312 0.6085 0.6239 0.7109 0.7192 1.4912 1.4954 2.1258 2.1317 2.3996 2.4103 2.4362 2.4428 12.6590 12.6813 12.7260 12.7326 12.9526 12.9611 13.3237 13.3248 k = 0.2576 0.2403 0.7234 ( 2383 PWs) bands (ev): -17.6913 -17.6912 -16.5889 -16.5848 -15.3239 -15.3179 -15.2042 -15.2042 -6.0399 -6.0382 -5.8670 -5.8573 -3.4378 -3.4324 -3.3775 -3.3726 -0.7188 -0.7036 -0.6403 -0.6297 0.6042 0.6187 0.7149 0.7223 1.4914 1.4957 2.1251 2.1310 2.3992 2.4093 2.4382 2.4446 12.6588 12.6806 12.7261 12.7323 12.9525 12.9610 13.3253 13.3270 k = 0.2652 0.2473 0.7137 ( 2379 PWs) bands (ev): -17.6923 -17.6923 -16.5876 -16.5836 -15.3239 -15.3179 -15.2040 -15.2040 -6.0558 -6.0535 -5.8516 -5.8424 -3.4373 -3.4317 -3.3768 -3.3718 -0.7232 -0.7094 -0.6342 -0.6248 0.5918 0.6044 0.7251 0.7307 1.4921 1.4964 2.1230 2.1290 2.3972 2.4060 2.4442 2.4501 12.6580 12.6785 12.7268 12.7317 12.9522 12.9607 13.3304 13.3329 k = 0.2727 0.2544 0.7040 ( 2375 PWs) bands (ev): -17.6940 -17.6939 -16.5857 -16.5817 -15.3239 -15.3180 -15.2037 -15.2037 -6.0766 -6.0739 -5.8311 -5.8225 -3.4363 -3.4306 -3.3756 -3.3706 -0.7305 -0.7184 -0.6246 -0.6164 0.5733 0.5841 0.7383 0.7423 1.4933 1.4976 2.1200 2.1261 2.3936 2.4011 2.4533 2.4591 12.6565 12.6751 12.7283 12.7313 12.9517 12.9602 13.3387 13.3421 k = 0.2803 0.2615 0.6944 ( 2376 PWs) bands (ev): -17.6960 -17.6960 -16.5833 -16.5793 -15.3239 -15.3180 -15.2034 -15.2033 -6.0994 -6.0963 -5.8086 -5.8005 -3.4348 -3.4289 -3.3742 -3.3691 -0.7401 -0.7296 -0.6123 -0.6051 0.5506 0.5600 0.7522 0.7552 1.4951 1.4995 2.1163 2.1225 2.3889 2.3954 2.4645 2.4704 12.6543 12.6705 12.7308 12.7317 12.9512 12.9597 13.3497 13.3539 k = 0.2879 0.2685 0.6847 ( 2374 PWs) bands (ev): -17.6984 -17.6984 -16.5805 -16.5766 -15.3239 -15.3181 -15.2030 -15.2028 -6.1225 -6.1192 -5.7857 -5.7778 -3.4327 -3.4266 -3.3724 -3.3673 -0.7514 -0.7422 -0.5982 -0.5916 0.5249 0.5332 0.7654 0.7680 1.4975 1.5019 2.1123 2.1186 2.3834 2.3892 2.4770 2.4832 12.6511 12.6649 12.7327 12.7349 12.9508 12.9593 13.3631 13.3679 k = 0.2955 0.2756 0.6750 ( 2371 PWs) bands (ev): -17.7011 -17.7010 -16.5774 -16.5735 -15.3240 -15.3182 -15.2026 -15.2023 -6.1449 -6.1415 -5.7631 -5.7555 -3.4302 -3.4239 -3.3704 -3.3652 -0.7637 -0.7555 -0.5827 -0.5766 0.4969 0.5046 0.7772 0.7798 1.5005 1.5050 2.1083 2.1147 2.3774 2.3827 2.4903 2.4967 12.6470 12.6585 12.7354 12.7399 12.9508 12.9593 13.3782 13.3835 k = 0.3030 0.2827 0.6654 ( 2367 PWs) bands (ev): -17.7038 -17.7038 -16.5741 -16.5703 -15.3240 -15.3183 -15.2023 -15.2019 -6.1661 -6.1627 -5.7412 -5.7339 -3.4271 -3.4206 -3.3682 -3.3630 -0.7766 -0.7692 -0.5662 -0.5604 0.4674 0.4745 0.7873 0.7900 1.5042 1.5087 2.1046 2.1109 2.3712 2.3761 2.5039 2.5104 12.6419 12.6515 12.7393 12.7459 12.9513 12.9598 13.3947 13.4004 k = 0.3106 0.2897 0.6557 ( 2365 PWs) bands (ev): -17.7066 -17.7066 -16.5708 -16.5670 -15.3241 -15.3185 -15.2020 -15.2014 -6.1856 -6.1822 -5.7205 -5.7133 -3.4236 -3.4169 -3.3658 -3.3606 -0.7897 -0.7829 -0.5491 -0.5435 0.4369 0.4434 0.7952 0.7982 1.5085 1.5129 2.1013 2.1076 2.3647 2.3695 2.5173 2.5239 12.6362 12.6441 12.7445 12.7527 12.9525 12.9609 13.4122 13.4183 k = 0.3182 0.2968 0.6461 ( 2361 PWs) bands (ev): -17.7094 -17.7093 -16.5675 -16.5638 -15.3242 -15.3187 -15.2018 -15.2011 -6.2032 -6.1998 -5.7011 -5.6940 -3.4198 -3.4128 -3.3632 -3.3580 -0.8027 -0.7964 -0.5316 -0.5262 0.4057 0.4118 0.8008 0.8041 1.5133 1.5177 2.0987 2.1049 2.3582 2.3628 2.5302 2.5368 12.6300 12.6367 12.7506 12.7601 12.9543 12.9627 13.4305 13.4369 k = 0.3258 0.3039 0.6364 ( 2362 PWs) bands (ev): -17.7120 -17.7119 -16.5644 -16.5607 -15.3243 -15.3189 -15.2018 -15.2009 -6.2186 -6.2152 -5.6831 -5.6762 -3.4157 -3.4084 -3.3606 -3.3554 -0.8154 -0.8095 -0.5141 -0.5089 0.3743 0.3800 0.8039 0.8076 1.5187 1.5230 2.0966 2.1027 2.3517 2.3563 2.5422 2.5490 12.6235 12.6293 12.7575 12.7678 12.9568 12.9653 13.4493 13.4559 k = 0.3333 0.3109 0.6267 ( 2364 PWs) bands (ev): -17.7144 -17.7143 -16.5614 -16.5578 -15.3244 -15.3191 -15.2019 -15.2009 -6.2316 -6.2283 -5.6666 -5.6599 -3.4114 -3.4038 -3.3579 -3.3526 -0.8275 -0.8220 -0.4968 -0.4919 0.3432 0.3485 0.8045 0.8084 1.5246 1.5286 2.0953 2.1013 2.3453 2.3500 2.5532 2.5600 12.6171 12.6221 12.7647 12.7756 12.9600 12.9685 13.4686 13.4754 k = 0.3409 0.3180 0.6171 ( 2356 PWs) bands (ev): -17.7165 -17.7165 -16.5586 -16.5551 -15.3245 -15.3193 -15.2023 -15.2011 -6.2420 -6.2388 -5.6517 -5.6451 -3.4070 -3.3990 -3.3552 -3.3498 -0.8388 -0.8336 -0.4802 -0.4756 0.3129 0.3179 0.8025 0.8067 1.5308 1.5346 2.0947 2.1005 2.3390 2.3438 2.5629 2.5698 12.6108 12.6153 12.7721 12.7833 12.9637 12.9722 13.4882 13.4952 k = 0.3485 0.3251 0.6074 ( 2352 PWs) bands (ev): -17.7184 -17.7184 -16.5562 -16.5527 -15.3246 -15.3196 -15.2029 -15.2015 -6.2498 -6.2467 -5.6385 -5.6321 -3.4026 -3.3943 -3.3524 -3.3468 -0.8493 -0.8442 -0.4647 -0.4605 0.2839 0.2886 0.7979 0.8024 1.5372 1.5408 2.0947 2.1003 2.3330 2.3379 2.5712 2.5782 12.6049 12.6089 12.7793 12.7905 12.9678 12.9764 13.5082 13.5152 k = 0.3561 0.3321 0.5977 ( 2351 PWs) bands (ev): -17.7199 -17.7199 -16.5541 -16.5507 -15.3247 -15.3198 -15.2038 -15.2021 -6.2548 -6.2518 -5.6271 -5.6208 -3.3983 -3.3897 -3.3496 -3.3439 -0.8586 -0.8537 -0.4508 -0.4470 0.2568 0.2611 0.7909 0.7957 1.5437 1.5472 2.0953 2.1007 2.3271 2.3323 2.5779 2.5850 12.5993 12.6030 12.7862 12.7971 12.9722 12.9807 13.5284 13.5356 k = 0.3636 0.3392 0.5881 ( 2352 PWs) bands (ev): -17.7211 -17.7210 -16.5524 -16.5490 -15.3248 -15.3200 -15.2049 -15.2030 -6.2570 -6.2541 -5.6174 -5.6112 -3.3942 -3.3853 -3.3468 -3.3410 -0.8667 -0.8619 -0.4390 -0.4358 0.2322 0.2362 0.7816 0.7866 1.5502 1.5534 2.0964 2.1016 2.3216 2.3271 2.5829 2.5901 12.5943 12.5977 12.7925 12.8029 12.9766 12.9850 13.5490 13.5562 k = 0.3712 0.3463 0.5784 ( 2352 PWs) bands (ev): -17.7218 -17.7218 -16.5511 -16.5478 -15.3248 -15.3202 -15.2063 -15.2042 -6.2562 -6.2534 -5.6095 -5.6034 -3.3904 -3.3812 -3.3440 -3.3380 -0.8735 -0.8687 -0.4299 -0.4272 0.2108 0.2145 0.7702 0.7754 1.5565 1.5596 2.0978 2.1029 2.3164 2.3222 2.5863 2.5936 12.5897 12.5929 12.7980 12.8078 12.9808 12.9891 13.5699 13.5771 k = 0.3788 0.3533 0.5687 ( 2352 PWs) bands (ev): -17.7222 -17.7221 -16.5502 -16.5469 -15.3249 -15.3204 -15.2081 -15.2057 -6.2524 -6.2497 -5.6035 -5.5975 -3.3870 -3.3776 -3.3412 -3.3351 -0.8789 -0.8741 -0.4241 -0.4219 0.1931 0.1967 0.7567 0.7622 1.5624 1.5654 2.0993 2.1043 2.3116 2.3177 2.5879 2.5954 12.5856 12.5887 12.8026 12.8115 12.9849 12.9930 13.5908 13.5980 k = 0.3864 0.3604 0.5591 ( 2355 PWs) bands (ev): -17.7221 -17.7221 -16.5497 -16.5465 -15.3249 -15.3206 -15.2101 -15.2075 -6.2457 -6.2430 -5.5993 -5.5934 -3.3840 -3.3745 -3.3384 -3.3323 -0.8827 -0.8778 -0.4220 -0.4203 0.1797 0.1833 0.7415 0.7472 1.5679 1.5708 2.1008 2.1057 2.3073 2.3137 2.5879 2.5956 12.5819 12.5850 12.8060 12.8139 12.9888 12.9966 13.6118 13.6189 k = 0.3939 0.3675 0.5494 ( 2353 PWs) bands (ev): -17.7217 -17.7217 -16.5497 -16.5464 -15.3249 -15.3208 -15.2124 -15.2096 -6.2359 -6.2333 -5.5969 -5.5912 -3.3815 -3.3721 -3.3357 -3.3297 -0.8849 -0.8800 -0.4242 -0.4226 0.1710 0.1748 0.7247 0.7305 1.5728 1.5757 2.1020 2.1070 2.3035 2.3103 2.5864 2.5942 12.5786 12.5818 12.8081 12.8149 12.9927 13.0002 13.6325 13.6396 k = 0.4015 0.3745 0.5398 ( 2352 PWs) bands (ev): -17.7209 -17.7208 -16.5500 -16.5468 -15.3249 -15.3209 -15.2150 -15.2119 -6.2232 -6.2206 -5.5965 -5.5908 -3.3796 -3.3703 -3.3331 -3.3272 -0.8855 -0.8804 -0.4307 -0.4287 0.1672 0.1713 0.7065 0.7125 1.5769 1.5799 2.1026 2.1077 2.3002 2.3074 2.5834 2.5914 12.5757 12.5789 12.8085 12.8142 12.9967 13.0039 13.6526 13.6595 k = 0.4091 0.3816 0.5301 ( 2350 PWs) bands (ev): -17.7197 -17.7197 -16.5507 -16.5474 -15.3249 -15.3211 -15.2178 -15.2145 -6.2075 -6.2049 -5.5979 -5.5922 -3.3782 -3.3691 -3.3307 -3.3250 -0.8844 -0.8791 -0.4412 -0.4386 0.1681 0.1727 0.6871 0.6932 1.5802 1.5833 2.1022 2.1076 2.2977 2.3052 2.5791 2.5874 12.5730 12.5765 12.8070 12.8118 13.0012 13.0082 13.6716 13.6785 k = 0.4167 0.3887 0.5204 ( 2350 PWs) bands (ev): -17.7183 -17.7182 -16.5517 -16.5485 -15.3248 -15.3212 -15.2208 -15.2172 -6.1889 -6.1863 -5.6012 -5.5955 -3.3775 -3.3687 -3.3286 -3.3231 -0.8816 -0.8761 -0.4553 -0.4520 0.1735 0.1786 0.6667 0.6729 1.5826 1.5859 2.1004 2.1062 2.2960 2.3039 2.5739 2.5824 12.5705 12.5742 12.8034 12.8077 13.0064 13.0133 13.6891 13.6959 k = 0.4242 0.3957 0.5108 ( 2348 PWs) bands (ev): -17.7165 -17.7164 -16.5530 -16.5497 -15.3247 -15.3213 -15.2240 -15.2202 -6.1675 -6.1649 -5.6062 -5.6005 -3.3774 -3.3689 -3.3268 -3.3216 -0.8772 -0.8714 -0.4723 -0.4683 0.1830 0.1885 0.6455 0.6517 1.5841 1.5876 2.0968 2.1032 2.2952 2.3034 2.5678 2.5766 12.5682 12.5721 12.7977 12.8021 13.0125 13.0195 13.7047 13.7114 k = 0.4318 0.4028 0.5011 ( 2342 PWs) bands (ev): -17.7145 -17.7145 -16.5546 -16.5512 -15.3246 -15.3214 -15.2274 -15.2234 -6.1434 -6.1407 -5.6131 -5.6073 -3.3779 -3.3697 -3.3255 -3.3205 -0.8712 -0.8650 -0.4915 -0.4867 0.1958 0.2018 0.6236 0.6299 1.5846 1.5882 2.0911 2.0980 2.2955 2.3040 2.5613 2.5703 12.5659 12.5701 12.7901 12.7950 13.0198 13.0268 13.7179 13.7245 k = 0.4394 0.4099 0.4914 ( 2342 PWs) bands (ev): -17.7124 -17.7124 -16.5563 -16.5529 -15.3244 -15.3215 -15.2308 -15.2266 -6.1167 -6.1141 -5.6216 -5.6158 -3.3790 -3.3712 -3.3247 -3.3199 -0.8637 -0.8570 -0.5121 -0.5066 0.2115 0.2178 0.6013 0.6076 1.5840 1.5878 2.0829 2.0902 2.2970 2.3058 2.5546 2.5638 12.5636 12.5680 12.7810 12.7866 13.0281 13.0353 13.7282 13.7347 k = 0.4470 0.4169 0.4818 ( 2338 PWs) bands (ev): -17.7103 -17.7102 -16.5581 -16.5546 -15.3243 -15.3217 -15.2343 -15.2300 -6.0877 -6.0851 -5.6317 -5.6258 -3.3807 -3.3732 -3.3245 -3.3199 -0.8549 -0.8477 -0.5334 -0.5272 0.2294 0.2361 0.5788 0.5851 1.5823 1.5863 2.0718 2.0795 2.2998 2.3087 2.5480 2.5573 12.5612 12.5658 12.7708 12.7773 13.0374 13.0448 13.7355 13.7419 k = 0.4545 0.4240 0.4721 ( 2336 PWs) bands (ev): -17.7081 -17.7080 -16.5598 -16.5564 -15.3241 -15.3218 -15.2379 -15.2333 -6.0567 -6.0541 -5.6432 -5.6371 -3.3829 -3.3758 -3.3249 -3.3205 -0.8451 -0.8371 -0.5547 -0.5477 0.2489 0.2559 0.5562 0.5624 1.5795 1.5836 2.0577 2.0656 2.3039 2.3129 2.5417 2.5513 12.5586 12.5634 12.7601 12.7672 13.0477 13.0553 13.7394 13.7459 k = 0.4621 0.4311 0.4624 ( 2338 PWs) bands (ev): -17.7061 -17.7060 -16.5615 -16.5580 -15.3240 -15.3220 -15.2413 -15.2366 -6.0240 -6.0215 -5.6558 -5.6495 -3.3858 -3.3790 -3.3260 -3.3217 -0.8345 -0.8256 -0.5752 -0.5672 0.2694 0.2767 0.5339 0.5400 1.5755 1.5797 2.0404 2.0485 2.3092 2.3183 2.5360 2.5457 12.5558 12.5608 12.7491 12.7569 13.0587 13.0664 13.7400 13.7464 k = 0.4697 0.4381 0.4528 ( 2342 PWs) bands (ev): -17.7042 -17.7041 -16.5629 -16.5593 -15.3238 -15.3221 -15.2447 -15.2399 -5.9903 -5.9879 -5.6690 -5.6624 -3.3892 -3.3827 -3.3279 -3.3237 -0.8238 -0.8138 -0.5940 -0.5849 0.2904 0.2980 0.5122 0.5182 1.5702 1.5745 2.0201 2.0283 2.3157 2.3247 2.5310 2.5409 12.5528 12.5579 12.7383 12.7466 13.0702 13.0780 13.7372 13.7437 k = 0.4773 0.4452 0.4431 ( 2342 PWs) bands (ev): -17.7027 -17.7026 -16.5640 -16.5604 -15.3237 -15.3224 -15.2480 -15.2431 -5.9566 -5.9543 -5.6818 -5.6748 -3.3932 -3.3868 -3.3304 -3.3263 -0.8137 -0.8024 -0.6101 -0.5998 0.3109 0.3189 0.4917 0.4976 1.5636 1.5680 1.9971 2.0051 2.3232 2.3320 2.5269 2.5369 12.5496 12.5548 12.7279 12.7368 13.0820 13.0897 13.7313 13.7377 k = 0.4848 0.4523 0.4335 ( 2344 PWs) bands (ev): -17.7016 -17.7015 -16.5646 -16.5609 -15.3236 -15.3226 -15.2511 -15.2461 -5.9248 -5.9228 -5.6926 -5.6851 -3.3976 -3.3915 -3.3338 -3.3297 -0.8051 -0.7925 -0.6220 -0.6104 0.3297 0.3381 0.4737 0.4794 1.5555 1.5599 1.9715 1.9794 2.3315 2.3402 2.5237 2.5337 12.5463 12.5514 12.7183 12.7275 13.0937 13.1014 13.7222 13.7287 k = 0.4924 0.4593 0.4238 ( 2344 PWs) bands (ev): -17.7011 -17.7010 -16.5645 -16.5608 -15.3235 -15.3229 -15.2539 -15.2489 -5.8981 -5.8964 -5.6981 -5.6902 -3.4027 -3.3967 -3.3380 -3.3339 -0.7991 -0.7855 -0.6284 -0.6157 0.3442 0.3532 0.4603 0.4659 1.5457 1.5503 1.9438 1.9516 2.3405 2.3490 2.5213 2.5314 12.5428 12.5479 12.7095 12.7189 13.1051 13.1128 13.7103 13.7168 k = 0.5000 0.4664 0.4141 ( 2346 PWs) bands (ev): -17.7013 -17.7012 -16.5637 -16.5599 -15.3235 -15.3231 -15.2566 -15.2514 -5.8816 -5.8800 -5.6936 -5.6853 -3.4082 -3.4023 -3.3429 -3.3388 -0.7964 -0.7824 -0.6278 -0.6148 0.3507 0.3601 0.4555 0.4610 1.5340 1.5387 1.9146 1.9222 2.3500 2.3583 2.5198 2.5299 12.5393 12.5444 12.7015 12.7112 13.1159 13.1235 13.6958 13.7023 k = 0.5000 0.4664 0.4141 ( 2346 PWs) bands (ev): -17.7013 -17.7012 -16.5637 -16.5599 -15.3235 -15.3231 -15.2566 -15.2514 -5.8816 -5.8800 -5.6936 -5.6853 -3.4082 -3.4023 -3.3429 -3.3388 -0.7964 -0.7824 -0.6278 -0.6148 0.3507 0.3601 0.4555 0.4610 1.5340 1.5387 1.9146 1.9222 2.3500 2.3583 2.5198 2.5299 12.5393 12.5444 12.7015 12.7112 13.1159 13.1235 13.6958 13.7023 k = 0.5000 0.4664 0.3998 ( 2336 PWs) bands (ev): -17.7021 -17.7020 -16.5618 -16.5579 -15.3236 -15.3232 -15.2602 -15.2550 -5.8671 -5.8654 -5.6772 -5.6688 -3.4165 -3.4107 -3.3507 -3.3466 -0.7943 -0.7802 -0.6211 -0.6081 0.3526 0.3619 0.4563 0.4617 1.5141 1.5189 1.8699 1.8773 2.3647 2.3727 2.5188 2.5288 12.5348 12.5396 12.6908 12.7008 13.1309 13.1383 13.6721 13.6786 k = 0.5000 0.4664 0.3856 ( 2332 PWs) bands (ev): -17.7030 -17.7029 -16.5599 -16.5560 -15.3237 -15.3233 -15.2638 -15.2586 -5.8529 -5.8512 -5.6610 -5.6523 -3.4242 -3.4186 -3.3584 -3.3543 -0.7910 -0.7769 -0.6132 -0.6002 0.3543 0.3635 0.4566 0.4620 1.4918 1.4967 1.8238 1.8310 2.3798 2.3875 2.5189 2.5288 12.5312 12.5359 12.6807 12.6910 13.1450 13.1522 13.6474 13.6540 k = 0.5000 0.4664 0.3713 ( 2336 PWs) bands (ev): -17.7039 -17.7038 -16.5580 -16.5540 -15.3238 -15.3233 -15.2674 -15.2622 -5.8390 -5.8373 -5.6449 -5.6361 -3.4314 -3.4259 -3.3659 -3.3617 -0.7865 -0.7724 -0.6042 -0.5912 0.3556 0.3648 0.4566 0.4617 1.4671 1.4722 1.7765 1.7835 2.3952 2.4027 2.5201 2.5300 12.5288 12.5334 12.6715 12.6819 13.1578 13.1649 13.6220 13.6286 k = 0.5000 0.4664 0.3570 ( 2336 PWs) bands (ev): -17.7048 -17.7047 -16.5561 -16.5522 -15.3237 -15.3233 -15.2709 -15.2657 -5.8256 -5.8238 -5.6290 -5.6202 -3.4379 -3.4326 -3.3732 -3.3689 -0.7807 -0.7667 -0.5939 -0.5810 0.3567 0.3658 0.4560 0.4611 1.4401 1.4453 1.7282 1.7350 2.4108 2.4181 2.5225 2.5322 12.5275 12.5320 12.6631 12.6737 13.1692 13.1762 13.5958 13.6024 k = 0.5000 0.4664 0.3427 ( 2342 PWs) bands (ev): -17.7058 -17.7057 -16.5543 -16.5503 -15.3237 -15.3232 -15.2744 -15.2692 -5.8126 -5.8108 -5.6135 -5.6046 -3.4437 -3.4386 -3.3801 -3.3758 -0.7737 -0.7597 -0.5823 -0.5695 0.3575 0.3666 0.4551 0.4599 1.4108 1.4162 1.6791 1.6858 2.4265 2.4335 2.5259 2.5354 12.5274 12.5319 12.6557 12.6665 13.1789 13.1859 13.5691 13.5757 k = 0.5000 0.4664 0.3284 ( 2340 PWs) bands (ev): -17.7067 -17.7066 -16.5524 -16.5485 -15.3236 -15.3231 -15.2777 -15.2726 -5.8002 -5.7984 -5.5983 -5.5894 -3.4488 -3.4438 -3.3867 -3.3824 -0.7654 -0.7515 -0.5694 -0.5567 0.3580 0.3670 0.4537 0.4584 1.3794 1.3848 1.6294 1.6361 2.4422 2.4489 2.5303 2.5396 12.5287 12.5331 12.6494 12.6604 13.1867 13.1937 13.5419 13.5484 k = 0.5000 0.4664 0.3142 ( 2328 PWs) bands (ev): -17.7077 -17.7076 -16.5507 -16.5468 -15.3234 -15.3229 -15.2810 -15.2759 -5.7885 -5.7866 -5.5836 -5.5747 -3.4532 -3.4483 -3.3929 -3.3886 -0.7559 -0.7420 -0.5552 -0.5425 0.3583 0.3672 0.4519 0.4564 1.3458 1.3513 1.5793 1.5859 2.4578 2.4643 2.5356 2.5447 12.5312 12.5356 12.6443 12.6554 13.1926 13.1997 13.5144 13.5208 k = 0.5000 0.4664 0.2999 ( 2328 PWs) bands (ev): -17.7086 -17.7085 -16.5489 -16.5451 -15.3233 -15.3227 -15.2841 -15.2791 -5.7773 -5.7755 -5.5694 -5.5605 -3.4567 -3.4521 -3.3986 -3.3944 -0.7450 -0.7312 -0.5395 -0.5269 0.3582 0.3671 0.4497 0.4539 1.3101 1.3158 1.5291 1.5356 2.4732 2.4795 2.5417 2.5505 12.5350 12.5394 12.6404 12.6515 13.1964 13.2035 13.4866 13.4929 k = 0.5000 0.4664 0.2856 ( 2328 PWs) bands (ev): -17.7096 -17.7095 -16.5473 -16.5435 -15.3230 -15.3225 -15.2871 -15.2823 -5.7669 -5.7651 -5.5557 -5.5469 -3.4596 -3.4552 -3.4040 -3.3998 -0.7330 -0.7192 -0.5224 -0.5098 0.3577 0.3666 0.4471 0.4510 1.2726 1.2783 1.4790 1.4854 2.4884 2.4944 2.5485 2.5569 12.5401 12.5446 12.6377 12.6489 13.1980 13.2052 13.4586 13.4648 k = 0.5000 0.4664 0.2713 ( 2328 PWs) bands (ev): -17.7106 -17.7105 -16.5456 -16.5419 -15.3228 -15.3222 -15.2900 -15.2853 -5.7571 -5.7553 -5.5426 -5.5339 -3.4617 -3.4575 -3.4089 -3.4048 -0.7197 -0.7061 -0.5039 -0.4914 0.3570 0.3658 0.4440 0.4477 1.2332 1.2389 1.4293 1.4355 2.5034 2.5091 2.5558 2.5639 12.5465 12.5510 12.6363 12.6476 13.1973 13.2047 13.4307 13.4366 k = 0.5000 0.4664 0.2570 ( 2330 PWs) bands (ev): -17.7115 -17.7114 -16.5441 -16.5405 -15.3225 -15.3218 -15.2928 -15.2882 -5.7481 -5.7463 -5.5301 -5.5216 -3.4631 -3.4592 -3.4133 -3.4094 -0.7052 -0.6917 -0.4838 -0.4714 0.3558 0.3647 0.4405 0.4440 1.1921 1.1977 1.3802 1.3862 2.5179 2.5234 2.5635 2.5713 12.5542 12.5587 12.6363 12.6476 13.1944 13.2020 13.4028 13.4085 k = 0.5000 0.4664 0.2428 ( 2332 PWs) bands (ev): -17.7125 -17.7124 -16.5426 -16.5391 -15.3222 -15.3215 -15.2954 -15.2910 -5.7398 -5.7381 -5.5182 -5.5100 -3.4639 -3.4602 -3.4173 -3.4135 -0.6896 -0.6763 -0.4623 -0.4500 0.3543 0.3633 0.4367 0.4399 1.1493 1.1549 1.3321 1.3379 2.5321 2.5373 2.5716 2.5789 12.5631 12.5677 12.6376 12.6488 13.1892 13.1971 13.3752 13.3806 k = 0.5000 0.4664 0.2285 ( 2336 PWs) bands (ev): -17.7134 -17.7133 -16.5411 -16.5378 -15.3218 -15.3211 -15.2978 -15.2936 -5.7322 -5.7305 -5.5071 -5.4991 -3.4640 -3.4606 -3.4208 -3.4172 -0.6730 -0.6598 -0.4393 -0.4271 0.3524 0.3614 0.4324 0.4353 1.1051 1.1106 1.2852 1.2907 2.5458 2.5507 2.5798 2.5868 12.5731 12.5779 12.6402 12.6514 13.1818 13.1901 13.3479 13.3529 k = 0.5000 0.4664 0.2142 ( 2336 PWs) bands (ev): -17.7143 -17.7142 -16.5398 -16.5365 -15.3215 -15.3207 -15.3001 -15.2962 -5.7253 -5.7237 -5.4966 -5.4889 -3.4636 -3.4605 -3.4239 -3.4205 -0.6555 -0.6425 -0.4148 -0.4027 0.3501 0.3592 0.4276 0.4304 1.0596 1.0649 1.2398 1.2450 2.5590 2.5635 2.5881 2.5947 12.5843 12.5892 12.6441 12.6552 13.1724 13.1810 13.3210 13.3256 k = 0.5000 0.4664 0.1999 ( 2334 PWs) bands (ev): -17.7152 -17.7151 -16.5385 -16.5354 -15.3212 -15.3203 -15.3022 -15.2985 -5.7191 -5.7176 -5.4868 -5.4794 -3.4626 -3.4599 -3.4265 -3.4234 -0.6371 -0.6243 -0.3889 -0.3769 0.3473 0.3566 0.4224 0.4251 1.0131 1.0181 1.1962 1.2010 2.5716 2.5758 2.5965 2.6025 12.5965 12.6016 12.6494 12.6603 13.1609 13.1699 13.2946 13.2989 k = 0.5000 0.4664 0.1856 ( 2334 PWs) bands (ev): -17.7160 -17.7159 -16.5373 -16.5343 -15.3208 -15.3200 -15.3041 -15.3008 -5.7136 -5.7121 -5.4777 -5.4707 -3.4613 -3.4589 -3.4287 -3.4259 -0.6180 -0.6055 -0.3615 -0.3496 0.3441 0.3535 0.4166 0.4195 0.9658 0.9705 1.1546 1.1590 2.5836 2.5875 2.6047 2.6103 12.6097 12.6149 12.6560 12.6666 13.1476 13.1571 13.2688 13.2727 k = 0.5000 0.4664 0.1714 ( 2336 PWs) bands (ev): -17.7168 -17.7167 -16.5361 -16.5334 -15.3205 -15.3196 -15.3059 -15.3028 -5.7086 -5.7073 -5.4694 -5.4627 -3.4597 -3.4577 -3.4304 -3.4281 -0.5983 -0.5862 -0.3327 -0.3210 0.3403 0.3499 0.4102 0.4136 0.9181 0.9224 1.1152 1.1192 2.5949 2.5984 2.6126 2.6178 12.6237 12.6291 12.6637 12.6741 13.1326 13.1426 13.2438 13.2472 k = 0.5000 0.4664 0.1571 ( 2336 PWs) bands (ev): -17.7175 -17.7175 -16.5351 -16.5325 -15.3202 -15.3192 -15.3074 -15.3047 -5.7043 -5.7030 -5.4617 -5.4555 -3.4578 -3.4562 -3.4318 -3.4299 -0.5784 -0.5666 -0.3027 -0.2911 0.3359 0.3458 0.4032 0.4072 0.8703 0.8744 1.0781 1.0818 2.6055 2.6086 2.6203 2.6250 12.6383 12.6441 12.6727 12.6826 13.1162 13.1266 13.2194 13.2225 k = 0.5000 0.4664 0.1428 ( 2340 PWs) bands (ev): -17.7182 -17.7182 -16.5341 -16.5317 -15.3200 -15.3189 -15.3088 -15.3065 -5.7005 -5.6993 -5.4547 -5.4490 -3.4557 -3.4546 -3.4329 -3.4314 -0.5583 -0.5470 -0.2715 -0.2601 0.3311 0.3410 0.3956 0.4004 0.8231 0.8268 1.0436 1.0470 2.6153 2.6181 2.6277 2.6318 12.6534 12.6597 12.6829 12.6922 13.0987 13.1095 13.1959 13.1987 k = 0.5000 0.4664 0.1285 ( 2344 PWs) bands (ev): -17.7189 -17.7188 -16.5332 -16.5310 -15.3198 -15.3186 -15.3100 -15.3080 -5.6973 -5.6962 -5.4484 -5.4432 -3.4537 -3.4529 -3.4336 -3.4325 -0.5383 -0.5276 -0.2392 -0.2280 0.3257 0.3356 0.3872 0.3929 0.7768 0.7803 1.0118 1.0149 2.6242 2.6267 2.6346 2.6381 12.6689 12.6757 12.6941 12.7027 13.0804 13.0914 13.1732 13.1758 k = 0.5000 0.4664 0.1142 ( 2348 PWs) bands (ev): -17.7195 -17.7194 -16.5324 -16.5304 -15.3196 -15.3184 -15.3110 -15.3094 -5.6945 -5.6935 -5.4428 -5.4381 -3.4518 -3.4511 -3.4341 -3.4333 -0.5188 -0.5088 -0.2061 -0.1952 0.3198 0.3296 0.3779 0.3846 0.7323 0.7356 0.9829 0.9857 2.6324 2.6345 2.6410 2.6440 12.6844 12.6919 12.7064 12.7139 13.0616 13.0727 13.1514 13.1538 k = 0.5000 0.4664 0.1000 ( 2348 PWs) bands (ev): -17.7200 -17.7200 -16.5316 -16.5299 -15.3195 -15.3182 -15.3117 -15.3106 -5.6921 -5.6912 -5.4379 -5.4337 -3.4502 -3.4493 -3.4344 -3.4336 -0.5000 -0.4908 -0.1725 -0.1619 0.3137 0.3231 0.3675 0.3752 0.6903 0.6934 0.9571 0.9596 2.6396 2.6414 2.6468 2.6493 12.6997 12.7080 12.7194 12.7257 13.0427 13.0537 13.1306 13.1329 k = 0.5000 0.4664 0.0857 ( 2356 PWs) bands (ev): -17.7205 -17.7204 -16.5310 -16.5295 -15.3195 -15.3182 -15.3123 -15.3116 -5.6901 -5.6894 -5.4336 -5.4300 -3.4488 -3.4477 -3.4346 -3.4337 -0.4824 -0.4741 -0.1387 -0.1285 0.3075 0.3163 0.3558 0.3642 0.6518 0.6548 0.9345 0.9368 2.6458 2.6474 2.6520 2.6541 12.7146 12.7236 12.7330 12.7379 13.0242 13.0349 13.1110 13.1132 k = 0.5000 0.4664 0.0714 ( 2360 PWs) bands (ev): -17.7209 -17.7209 -16.5304 -16.5291 -15.3195 -15.3182 -15.3128 -15.3123 -5.6885 -5.6879 -5.4300 -5.4269 -3.4477 -3.4464 -3.4346 -3.4335 -0.4663 -0.4591 -0.1054 -0.0957 0.3015 0.3094 0.3425 0.3515 0.6178 0.6207 0.9152 0.9173 2.6511 2.6525 2.6565 2.6582 12.7289 12.7383 12.7466 12.7503 13.0066 13.0167 13.0929 13.0950 k = 0.5000 0.4664 0.0571 ( 2362 PWs) bands (ev): -17.7212 -17.7212 -16.5299 -16.5289 -15.3195 -15.3183 -15.3131 -15.3128 -5.6872 -5.6867 -5.4269 -5.4245 -3.4467 -3.4454 -3.4344 -3.4332 -0.4522 -0.4462 -0.0733 -0.0645 0.2961 0.3027 0.3279 0.3369 0.5893 0.5921 0.8995 0.9011 2.6554 2.6567 2.6603 2.6616 12.7423 12.7514 12.7597 12.7623 12.9905 12.9996 13.0768 13.0786 k = 0.5000 0.4664 0.0428 ( 2354 PWs) bands (ev): -17.7215 -17.7215 -16.5295 -16.5287 -15.3195 -15.3185 -15.3133 -15.3132 -5.6863 -5.6859 -5.4245 -5.4226 -3.4459 -3.4448 -3.4340 -3.4329 -0.4404 -0.4358 -0.0439 -0.0363 0.2915 0.2966 0.3128 0.3211 0.5672 0.5696 0.8872 0.8885 2.6588 2.6599 2.6634 2.6644 12.7544 12.7624 12.7714 12.7733 12.9767 12.9844 13.0631 13.0646 k = 0.5000 0.4664 0.0286 ( 2354 PWs) bands (ev): -17.7217 -17.7216 -16.5291 -16.5286 -15.3195 -15.3188 -15.3134 -15.3134 -5.6856 -5.6853 -5.4227 -5.4214 -3.4453 -3.4445 -3.4335 -3.4328 -0.4315 -0.4283 -0.0191 -0.0133 0.2879 0.2913 0.2993 0.3060 0.5518 0.5535 0.8785 0.8794 2.6612 2.6620 2.6657 2.6664 12.7645 12.7705 12.7810 12.7822 12.9661 12.9718 13.0527 13.0537 k = 0.5000 0.4664 0.0143 ( 2354 PWs) bands (ev): -17.7218 -17.7218 -16.5289 -16.5286 -15.3194 -15.3190 -15.3135 -15.3135 -5.6851 -5.6850 -5.4215 -5.4209 -3.4449 -3.4444 -3.4331 -3.4327 -0.4256 -0.4240 -0.0016 0.0017 0.2849 0.2867 0.2913 0.2948 0.5428 0.5437 0.8734 0.8738 2.6628 2.6632 2.6671 2.6675 12.7718 12.7750 12.7874 12.7880 12.9599 12.9629 13.0461 13.0467 k = 0.5000 0.4664-0.0000 ( 2354 PWs) bands (ev): -17.7218 -17.7218 -16.5287 -16.5287 -15.3192 -15.3192 -15.3135 -15.3135 -5.6849 -5.6849 -5.4209 -5.4209 -3.4446 -3.4446 -3.4328 -3.4328 -0.4231 -0.4231 0.0059 0.0059 0.2836 0.2836 0.2903 0.2903 0.5402 0.5402 0.8718 0.8718 2.6635 2.6635 2.6678 2.6678 12.7755 12.7755 12.7899 12.7899 12.9588 12.9588 13.0441 13.0441 k = 0.0000 0.0000 0.7330 ( 2348 PWs) bands (ev): -17.6919 -17.6919 -16.5897 -16.5897 -15.3167 -15.3167 -15.2011 -15.2011 -6.1030 -6.1030 -5.9269 -5.9269 -3.2388 -3.2388 -3.2295 -3.2295 -0.7003 -0.7003 -0.6390 -0.6390 0.3074 0.3074 0.3887 0.3887 1.6235 1.6235 2.1067 2.1067 2.5750 2.5750 2.5829 2.5829 12.6459 12.6459 12.8603 12.8603 12.9638 12.9638 13.9143 13.9143 k = 0.0104 0.0097 0.7330 ( 2350 PWs) bands (ev): -17.6919 -17.6919 -16.5898 -16.5895 -15.3169 -15.3165 -15.2011 -15.2011 -6.1028 -6.1027 -5.9270 -5.9264 -3.2397 -3.2395 -3.2304 -3.2301 -0.7005 -0.6995 -0.6400 -0.6387 0.3081 0.3094 0.3895 0.3902 1.6230 1.6232 2.1067 2.1069 2.5742 2.5745 2.5820 2.5824 12.6459 12.6462 12.8578 12.8607 12.9630 12.9649 13.9089 13.9097 k = 0.0208 0.0194 0.7330 ( 2350 PWs) bands (ev): -17.6919 -17.6919 -16.5899 -16.5894 -15.3171 -15.3163 -15.2012 -15.2012 -6.1020 -6.1018 -5.9266 -5.9254 -3.2419 -3.2417 -3.2328 -3.2323 -0.7000 -0.6980 -0.6418 -0.6392 0.3115 0.3141 0.3926 0.3940 1.6218 1.6222 2.1068 2.1071 2.5724 2.5730 2.5799 2.5808 12.6464 12.6470 12.8533 12.8590 12.9624 12.9662 13.8941 13.8955 k = 0.0312 0.0291 0.7330 ( 2350 PWs) bands (ev): -17.6919 -17.6919 -16.5900 -16.5892 -15.3174 -15.3162 -15.2013 -15.2013 -6.1006 -6.1004 -5.9257 -5.9239 -3.2456 -3.2454 -3.2365 -3.2358 -0.6990 -0.6959 -0.6442 -0.6405 0.3176 0.3214 0.3981 0.4001 1.6199 1.6205 2.1069 2.1074 2.5694 2.5703 2.5765 2.5779 12.6473 12.6483 12.8470 12.8552 12.9622 12.9675 13.8715 13.8735 k = 0.0417 0.0389 0.7330 ( 2350 PWs) bands (ev): -17.6919 -17.6918 -16.5900 -16.5890 -15.3177 -15.3162 -15.2013 -15.2013 -6.0987 -6.0984 -5.9244 -5.9219 -3.2508 -3.2508 -3.2412 -3.2407 -0.6973 -0.6933 -0.6473 -0.6425 0.3262 0.3311 0.4057 0.4084 1.6172 1.6180 2.1072 2.1078 2.5653 2.5665 2.5720 2.5738 12.6487 12.6499 12.8392 12.8495 12.9622 12.9687 13.8430 13.8454 k = 0.0521 0.0486 0.7330 ( 2350 PWs) bands (ev): -17.6918 -17.6918 -16.5901 -16.5888 -15.3181 -15.3161 -15.2015 -15.2015 -6.0963 -6.0959 -5.9226 -5.9195 -3.2579 -3.2575 -3.2469 -3.2467 -0.6952 -0.6901 -0.6509 -0.6450 0.3371 0.3431 0.4155 0.4189 1.6138 1.6149 2.1075 2.1083 2.5602 2.5617 2.5663 2.5687 12.6504 12.6520 12.8300 12.8422 12.9624 12.9697 13.8105 13.8131 k = 0.0625 0.0583 0.7330 ( 2346 PWs) bands (ev): -17.6918 -17.6917 -16.5901 -16.5886 -15.3184 -15.3161 -15.2016 -15.2016 -6.0934 -6.0929 -5.9204 -5.9168 -3.2665 -3.2655 -3.2536 -3.2533 -0.6926 -0.6866 -0.6549 -0.6481 0.3501 0.3572 0.4274 0.4313 1.6098 1.6110 2.1080 2.1089 2.5541 2.5559 2.5596 2.5625 12.6527 12.6546 12.8198 12.8334 12.9625 12.9706 13.7753 13.7782 k = 0.0729 0.0680 0.7330 ( 2354 PWs) bands (ev): -17.6917 -17.6917 -16.5901 -16.5883 -15.3188 -15.3162 -15.2017 -15.2017 -6.0901 -6.0895 -5.9179 -5.9137 -3.2764 -3.2750 -3.2612 -3.2605 -0.6899 -0.6827 -0.6591 -0.6516 0.3650 0.3731 0.4411 0.4456 1.6049 1.6064 2.1085 2.1096 2.5470 2.5492 2.5520 2.5553 12.6553 12.6576 12.8086 12.8235 12.9626 12.9711 13.7387 13.7417 k = 0.0833 0.0777 0.7330 ( 2350 PWs) bands (ev): -17.6917 -17.6916 -16.5901 -16.5881 -15.3192 -15.3162 -15.2019 -15.2019 -6.0864 -6.0858 -5.9150 -5.9102 -3.2875 -3.2855 -3.2695 -3.2683 -0.6870 -0.6787 -0.6633 -0.6553 0.3815 0.3905 0.4567 0.4617 1.5995 1.6011 2.1091 2.1105 2.5390 2.5415 2.5437 2.5475 12.6584 12.6610 12.7968 12.8128 12.9626 12.9713 13.7015 13.7045 k = 0.0938 0.0874 0.7330 ( 2350 PWs) bands (ev): -17.6916 -17.6916 -16.5901 -16.5878 -15.3196 -15.3163 -15.2021 -15.2021 -6.0824 -6.0817 -5.9119 -5.9066 -3.2994 -3.2970 -3.2782 -3.2766 -0.6845 -0.6746 -0.6670 -0.6591 0.3992 0.4091 0.4738 0.4793 1.5933 1.5952 2.1099 2.1115 2.5300 2.5330 2.5350 2.5390 12.6620 12.6649 12.7845 12.8015 12.9624 12.9713 13.6643 13.6673 k = 0.1042 0.0972 0.7330 ( 2350 PWs) bands (ev): -17.6915 -17.6915 -16.5900 -16.5876 -15.3200 -15.3164 -15.2023 -15.2023 -6.0782 -6.0774 -5.9086 -5.9027 -3.3121 -3.3092 -3.2873 -3.2853 -0.6834 -0.6712 -0.6693 -0.6624 0.4180 0.4286 0.4923 0.4982 1.5865 1.5886 2.1107 2.1126 2.5200 2.5237 2.5259 2.5302 12.6660 12.6692 12.7720 12.7897 12.9620 12.9710 13.6276 13.6306 k = 0.1146 0.1069 0.7330 ( 2350 PWs) bands (ev): -17.6915 -17.6914 -16.5900 -16.5873 -15.3205 -15.3165 -15.2025 -15.2025 -6.0738 -6.0729 -5.9051 -5.8987 -3.3251 -3.3218 -3.2967 -3.2943 -0.6847 -0.6707 -0.6690 -0.6627 0.4374 0.4487 0.5119 0.5182 1.5791 1.5814 2.1117 2.1138 2.5093 2.5136 2.5167 2.5212 12.6703 12.6740 12.7594 12.7778 12.9615 12.9705 13.5918 13.5947 k = 0.1250 0.1166 0.7330 ( 2354 PWs) bands (ev): -17.6914 -17.6914 -16.5899 -16.5870 -15.3209 -15.3167 -15.2027 -15.2027 -6.0693 -6.0683 -5.9015 -5.8947 -3.3383 -3.3347 -3.3062 -3.3034 -0.6879 -0.6737 -0.6668 -0.6596 0.4571 0.4690 0.5323 0.5390 1.5711 1.5737 2.1128 2.1152 2.4981 2.5031 2.5074 2.5121 12.6751 12.6791 12.7470 12.7659 12.9608 12.9698 13.5573 13.5601 k = 0.1354 0.1263 0.7330 ( 2352 PWs) bands (ev): -17.6913 -17.6913 -16.5898 -16.5868 -15.3213 -15.3168 -15.2029 -15.2029 -6.0647 -6.0637 -5.8979 -5.8906 -3.3515 -3.3476 -3.3156 -3.3125 -0.6918 -0.6775 -0.6639 -0.6557 0.4768 0.4893 0.5533 0.5603 1.5628 1.5656 2.1140 2.1167 2.4865 2.4921 2.4982 2.5031 12.6801 12.6846 12.7349 12.7542 12.9600 12.9690 13.5242 13.5268 k = 0.1458 0.1360 0.7330 ( 2348 PWs) bands (ev): -17.6913 -17.6912 -16.5898 -16.5866 -15.3217 -15.3169 -15.2031 -15.2031 -6.0602 -6.0591 -5.8943 -5.8866 -3.3644 -3.3602 -3.3248 -3.3214 -0.6957 -0.6812 -0.6607 -0.6519 0.4962 0.5092 0.5745 0.5818 1.5541 1.5571 2.1153 2.1183 2.4748 2.4811 2.4891 2.4942 12.6853 12.6903 12.7234 12.7429 12.9592 12.9680 13.4928 13.4953 k = 0.1562 0.1457 0.7330 ( 2348 PWs) bands (ev): -17.6912 -17.6912 -16.5897 -16.5863 -15.3221 -15.3171 -15.2033 -15.2033 -6.0558 -6.0546 -5.8909 -5.8827 -3.3768 -3.3724 -3.3337 -3.3300 -0.6995 -0.6848 -0.6575 -0.6482 0.5149 0.5284 0.5956 0.6030 1.5452 1.5484 2.1166 2.1200 2.4632 2.4701 2.4803 2.4857 12.6905 12.6962 12.7127 12.7323 12.9582 12.9670 13.4634 13.4657 k = 0.1667 0.1555 0.7330 ( 2358 PWs) bands (ev): -17.6911 -17.6911 -16.5896 -16.5861 -15.3224 -15.3172 -15.2035 -15.2035 -6.0517 -6.0504 -5.8875 -5.8790 -3.3885 -3.3839 -3.3421 -3.3382 -0.7031 -0.6882 -0.6546 -0.6448 0.5326 0.5465 0.6160 0.6237 1.5362 1.5396 2.1180 2.1217 2.4519 2.4594 2.4720 2.4775 12.6943 12.7021 12.7042 12.7223 12.9573 12.9660 13.4361 13.4383 k = 0.1771 0.1652 0.7330 ( 2364 PWs) bands (ev): -17.6911 -17.6910 -16.5896 -16.5859 -15.3227 -15.3174 -15.2037 -15.2037 -6.0478 -6.0465 -5.8844 -5.8756 -3.3993 -3.3945 -3.3499 -3.3457 -0.7064 -0.6912 -0.6518 -0.6417 0.5491 0.5633 0.6356 0.6434 1.5275 1.5310 2.1194 2.1235 2.4411 2.4492 2.4642 2.4700 12.6905 12.7041 12.7079 12.7133 12.9564 12.9650 13.4112 13.4132 k = 0.1875 0.1749 0.7330 ( 2382 PWs) bands (ev): -17.6910 -17.6910 -16.5895 -16.5858 -15.3230 -15.3175 -15.2038 -15.2038 -6.0443 -6.0429 -5.8816 -5.8725 -3.4090 -3.4041 -3.3569 -3.3526 -0.7093 -0.6940 -0.6494 -0.6390 0.5639 0.5785 0.6537 0.6617 1.5191 1.5228 2.1208 2.1253 2.4311 2.4398 2.4572 2.4632 12.6829 12.7049 12.7086 12.7137 12.9554 12.9641 13.3890 13.3908 k = 0.1979 0.1846 0.7330 ( 2382 PWs) bands (ev): -17.6910 -17.6909 -16.5895 -16.5856 -15.3233 -15.3176 -15.2040 -15.2039 -6.0412 -6.0398 -5.8792 -5.8698 -3.4176 -3.4125 -3.3631 -3.3586 -0.7117 -0.6963 -0.6473 -0.6367 0.5770 0.5919 0.6700 0.6781 1.5114 1.5152 2.1222 2.1270 2.4221 2.4313 2.4510 2.4572 12.6759 12.6979 12.7133 12.7189 12.9546 12.9632 13.3697 13.3713 k = 0.2083 0.1943 0.7330 ( 2382 PWs) bands (ev): -17.6910 -17.6909 -16.5894 -16.5855 -15.3235 -15.3177 -15.2041 -15.2041 -6.0385 -6.0371 -5.8771 -5.8674 -3.4247 -3.4196 -3.3682 -3.3636 -0.7138 -0.6982 -0.6455 -0.6347 0.5881 0.6031 0.6841 0.6923 1.5046 1.5086 2.1234 2.1285 2.4144 2.4241 2.4458 2.4521 12.6700 12.6920 12.7175 12.7235 12.9539 12.9625 13.3535 13.3550 k = 0.2188 0.2040 0.7330 ( 2382 PWs) bands (ev): -17.6909 -17.6909 -16.5894 -16.5854 -15.3237 -15.3178 -15.2042 -15.2042 -6.0364 -6.0350 -5.8754 -5.8656 -3.4304 -3.4252 -3.3724 -3.3676 -0.7154 -0.6997 -0.6441 -0.6332 0.5969 0.6121 0.6955 0.7038 1.4989 1.5030 2.1244 2.1298 2.4081 2.4182 2.4417 2.4481 12.6652 12.6874 12.7211 12.7273 12.9534 12.9619 13.3406 13.3419 k = 0.2292 0.2138 0.7330 ( 2378 PWs) bands (ev): -17.6909 -17.6909 -16.5893 -16.5853 -15.3238 -15.3179 -15.2042 -15.2042 -6.0349 -6.0334 -5.8742 -5.8643 -3.4346 -3.4292 -3.3753 -3.3705 -0.7166 -0.7008 -0.6431 -0.6321 0.6033 0.6186 0.7040 0.7123 1.4947 1.4989 2.1252 2.1308 2.4034 2.4139 2.4387 2.4452 12.6618 12.6840 12.7238 12.7302 12.9530 12.9614 13.3313 13.3325 k = 0.2396 0.2235 0.7330 ( 2382 PWs) bands (ev): -17.6909 -17.6908 -16.5893 -16.5853 -15.3239 -15.3179 -15.2043 -15.2043 -6.0340 -6.0325 -5.8734 -5.8635 -3.4371 -3.4317 -3.3772 -3.3723 -0.7173 -0.7015 -0.6425 -0.6315 0.6072 0.6226 0.7092 0.7175 1.4921 1.4963 2.1256 2.1315 2.4006 2.4112 2.4368 2.4434 12.6597 12.6820 12.7254 12.7320 12.9527 12.9612 13.3256 13.3267 k = 0.2500 0.2332 0.7330 ( 2392 PWs) bands (ev): -17.6909 -17.6908 -16.5893 -16.5853 -15.3239 -15.3179 -15.2043 -15.2043 -6.0337 -6.0322 -5.8732 -5.8632 -3.4379 -3.4326 -3.3778 -3.3729 -0.7175 -0.7017 -0.6423 -0.6312 0.6085 0.6239 0.7109 0.7192 1.4912 1.4954 2.1258 2.1317 2.3996 2.4103 2.4362 2.4428 12.6590 12.6813 12.7260 12.7326 12.9526 12.9611 13.3237 13.3248 Writing output data file BPO4.save init_run : 3.79s CPU 12.55s WALL ( 1 calls) electrons : 444.40s CPU 450.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.23s CPU 2.33s WALL ( 1 calls) Called by electrons: c_bands : 444.32s CPU 450.17s WALL ( 1 calls) v_of_rho : 0.04s CPU 1.43s WALL ( 1 calls) v_h : 0.00s CPU 0.22s WALL ( 1 calls) v_xc : 0.03s CPU 0.62s WALL ( 1 calls) newd : 0.17s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 378 calls) cegterg : 423.14s CPU 426.71s WALL ( 764 calls) Called by sum_band: Called by *egterg: h_psi : 187.64s CPU 194.87s WALL ( 14231 calls) s_psi : 13.26s CPU 14.30s WALL ( 14231 calls) g_psi : 0.30s CPU 0.39s WALL ( 13089 calls) cdiaghg : 164.01s CPU 162.14s WALL ( 13467 calls) cegterg:over : 37.01s CPU 32.56s WALL ( 13089 calls) cegterg:upda : 3.49s CPU 6.66s WALL ( 13089 calls) cegterg:last : 3.70s CPU 4.67s WALL ( 2338 calls) Called by h_psi: h_psi:vloc : 154.06s CPU 160.76s WALL ( 14231 calls) h_psi:vnl : 33.47s CPU 33.69s WALL ( 14231 calls) add_vuspsi : 7.03s CPU 11.20s WALL ( 14231 calls) General routines calbec : 26.40s CPU 22.32s WALL ( 14231 calls) fft : 0.42s CPU 1.16s WALL ( 19 calls) ffts : 0.00s CPU 0.49s WALL ( 4 calls) fftw : 145.05s CPU 150.70s WALL ( 1180596 calls) interpolate : 0.01s CPU 0.51s WALL ( 4 calls) davcio : 0.04s CPU 0.88s WALL ( 756 calls) Parallel routines fft_scatter : 101.73s CPU 104.94s WALL ( 1180619 calls) PWSCF : 8m 8.01s CPU 9m20.36s WALL This run was terminated on: 7:26:49 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=