Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:48:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuCO3.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 37 10 1921 828 127 Max 67 38 11 1925 848 132 Sum 2377 1367 385 69207 30163 4667 bravais-lattice index = 14 lattice parameter (alat) = 11.0662 a.u. unit-cell volume = 693.6417 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.066247 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.664629 celldm(5)= 0.664629 celldm(6)= 0.664629 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.664629 0.747173 0.000000 ) a(3) = ( 0.664629 0.298321 0.685035 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.889525 -0.582840 ) b(2) = ( 0.000000 1.338377 -0.582840 ) b(3) = ( 0.000000 0.000000 1.459779 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0125000 -0.0111191 -0.0072855), wk = 0.0035714 k( 3) = ( 0.0250000 -0.0222381 -0.0145710), wk = 0.0035714 k( 4) = ( 0.0375000 -0.0333572 -0.0218565), wk = 0.0035714 k( 5) = ( 0.0500000 -0.0444762 -0.0291420), wk = 0.0035714 k( 6) = ( 0.0625000 -0.0555953 -0.0364275), wk = 0.0035714 k( 7) = ( 0.0750000 -0.0667143 -0.0437130), wk = 0.0035714 k( 8) = ( 0.0875000 -0.0778334 -0.0509985), wk = 0.0035714 k( 9) = ( 0.1000000 -0.0889525 -0.0582840), wk = 0.0035714 k( 10) = ( 0.1125000 -0.1000715 -0.0655695), wk = 0.0035714 k( 11) = ( 0.1250000 -0.1111906 -0.0728550), wk = 0.0035714 k( 12) = ( 0.1375000 -0.1223096 -0.0801405), wk = 0.0035714 k( 13) = ( 0.1500000 -0.1334287 -0.0874260), wk = 0.0035714 k( 14) = ( 0.1625000 -0.1445477 -0.0947115), wk = 0.0035714 k( 15) = ( 0.1750000 -0.1556668 -0.1019969), wk = 0.0035714 k( 16) = ( 0.1875000 -0.1667859 -0.1092824), wk = 0.0035714 k( 17) = ( 0.2000000 -0.1779049 -0.1165679), wk = 0.0035714 k( 18) = ( 0.2125000 -0.1890240 -0.1238534), wk = 0.0035714 k( 19) = ( 0.2250000 -0.2001430 -0.1311389), wk = 0.0035714 k( 20) = ( 0.2375000 -0.2112621 -0.1384244), wk = 0.0035714 k( 21) = ( 0.2500000 -0.2223811 -0.1457099), wk = 0.0035714 k( 22) = ( 0.2625000 -0.2335002 -0.1529954), wk = 0.0035714 k( 23) = ( 0.2750000 -0.2446193 -0.1602809), wk = 0.0035714 k( 24) = ( 0.2875000 -0.2557383 -0.1675664), wk = 0.0035714 k( 25) = ( 0.3000000 -0.2668574 -0.1748519), wk = 0.0035714 k( 26) = ( 0.3125000 -0.2779764 -0.1821374), wk = 0.0035714 k( 27) = ( 0.3250000 -0.2890955 -0.1894229), wk = 0.0035714 k( 28) = ( 0.3375000 -0.3002145 -0.1967084), wk = 0.0035714 k( 29) = ( 0.3500000 -0.3113336 -0.2039939), wk = 0.0035714 k( 30) = ( 0.3625000 -0.3224527 -0.2112794), wk = 0.0035714 k( 31) = ( 0.3750000 -0.3335717 -0.2185649), wk = 0.0035714 k( 32) = ( 0.3875000 -0.3446908 -0.2258504), wk = 0.0035714 k( 33) = ( 0.4000000 -0.3558098 -0.2331359), wk = 0.0035714 k( 34) = ( 0.4125000 -0.3669289 -0.2404214), wk = 0.0035714 k( 35) = ( 0.4250000 -0.3780479 -0.2477069), wk = 0.0035714 k( 36) = ( 0.4375000 -0.3891670 -0.2549924), wk = 0.0035714 k( 37) = ( 0.4500000 -0.4002861 -0.2622779), wk = 0.0035714 k( 38) = ( 0.4625000 -0.4114051 -0.2695634), wk = 0.0035714 k( 39) = ( 0.4750000 -0.4225242 -0.2768489), wk = 0.0035714 k( 40) = ( 0.4875000 -0.4336432 -0.2841344), wk = 0.0035714 k( 41) = ( 0.5000000 -0.4447623 -0.2914199), wk = 0.0035714 k( 42) = ( 0.5000000 -0.4447623 -0.2914199), wk = 0.0035714 k( 43) = ( 0.5000000 -0.4348555 -0.3065395), wk = 0.0035714 k( 44) = ( 0.5000000 -0.4249487 -0.3216592), wk = 0.0035714 k( 45) = ( 0.5000000 -0.4150419 -0.3367788), wk = 0.0035714 k( 46) = ( 0.5000000 -0.4051351 -0.3518985), wk = 0.0035714 k( 47) = ( 0.5000000 -0.3952283 -0.3670181), wk = 0.0035714 k( 48) = ( 0.5000000 -0.3853216 -0.3821378), wk = 0.0035714 k( 49) = ( 0.5000000 -0.3754148 -0.3972574), wk = 0.0035714 k( 50) = ( 0.5000000 -0.3655080 -0.4123771), wk = 0.0035714 k( 51) = ( 0.5000000 -0.3556012 -0.4274967), wk = 0.0035714 k( 52) = ( 0.5000000 -0.3456944 -0.4426164), wk = 0.0035714 k( 53) = ( 0.5000000 -0.3357876 -0.4577360), wk = 0.0035714 k( 54) = ( 0.5000000 -0.3258808 -0.4728557), wk = 0.0035714 k( 55) = ( 0.5000000 -0.3159740 -0.4879753), wk = 0.0035714 k( 56) = ( 0.5000000 -0.3060672 -0.5030950), wk = 0.0035714 k( 57) = ( 0.5000000 -0.2961604 -0.5182146), wk = 0.0035714 k( 58) = ( 0.5000000 -0.2862537 -0.5333343), wk = 0.0035714 k( 59) = ( 0.5000000 -0.2763469 -0.5484539), wk = 0.0035714 k( 60) = ( 0.5000000 -0.2664401 -0.5635736), wk = 0.0035714 k( 61) = ( 0.5000000 -0.2565333 -0.5786932), wk = 0.0035714 k( 62) = ( 0.5000000 -0.2466265 -0.5938129), wk = 0.0035714 k( 63) = ( 0.5000000 -0.2367197 -0.6089325), wk = 0.0035714 k( 64) = ( 0.5000000 -0.2268129 -0.6240522), wk = 0.0035714 k( 65) = ( 0.5000000 -0.2169061 -0.6391718), wk = 0.0035714 k( 66) = ( 0.5000000 -0.2069993 -0.6542915), wk = 0.0035714 k( 67) = ( 0.5000000 -0.1970925 -0.6694111), wk = 0.0035714 k( 68) = ( 0.5000000 -0.1871858 -0.6845308), wk = 0.0035714 k( 69) = ( 0.5000000 -0.1772790 -0.6996504), wk = 0.0035714 k( 70) = ( 0.5000000 -0.1673722 -0.7147701), wk = 0.0035714 k( 71) = ( 0.5000000 -0.1574654 -0.7298897), wk = 0.0035714 k( 72) = ( 0.7853394 -0.0293900 -0.4357897), wk = 0.0035714 k( 73) = ( 0.7778305 -0.0227106 -0.4204518), wk = 0.0035714 k( 74) = ( 0.7703215 -0.0160313 -0.4051139), wk = 0.0035714 k( 75) = ( 0.7628126 -0.0093519 -0.3897760), wk = 0.0035714 k( 76) = ( 0.7553037 -0.0026725 -0.3744381), wk = 0.0035714 k( 77) = ( 0.7477947 0.0040069 -0.3591002), wk = 0.0035714 k( 78) = ( 0.7402858 0.0106863 -0.3437624), wk = 0.0035714 k( 79) = ( 0.7327769 0.0173656 -0.3284245), wk = 0.0035714 k( 80) = ( 0.7252679 0.0240450 -0.3130866), wk = 0.0035714 k( 81) = ( 0.7177590 0.0307244 -0.2977487), wk = 0.0035714 k( 82) = ( 0.7102501 0.0374038 -0.2824108), wk = 0.0035714 k( 83) = ( 0.7027412 0.0440832 -0.2670729), wk = 0.0035714 k( 84) = ( 0.6952322 0.0507625 -0.2517350), wk = 0.0035714 k( 85) = ( 0.6877233 0.0574419 -0.2363971), wk = 0.0035714 k( 86) = ( 0.6802143 0.0641213 -0.2210593), wk = 0.0035714 k( 87) = ( 0.6727054 0.0708007 -0.2057214), wk = 0.0035714 k( 88) = ( 0.6651965 0.0774801 -0.1903835), wk = 0.0035714 k( 89) = ( 0.6576876 0.0841594 -0.1750456), wk = 0.0035714 k( 90) = ( 0.6501786 0.0908388 -0.1597077), wk = 0.0035714 k( 91) = ( 0.6426697 0.0975182 -0.1443698), wk = 0.0035714 k( 92) = ( 0.6351608 0.1041976 -0.1290319), wk = 0.0035714 k( 93) = ( 0.6276518 0.1108770 -0.1136941), wk = 0.0035714 k( 94) = ( 0.6201429 0.1175563 -0.0983562), wk = 0.0035714 k( 95) = ( 0.6126340 0.1242357 -0.0830183), wk = 0.0035714 k( 96) = ( 0.6051250 0.1309151 -0.0676804), wk = 0.0035714 k( 97) = ( 0.5976161 0.1375945 -0.0523425), wk = 0.0035714 k( 98) = ( 0.5901072 0.1442738 -0.0370046), wk = 0.0035714 k( 99) = ( 0.5825982 0.1509532 -0.0216667), wk = 0.0035714 k( 100) = ( 0.5750893 0.1576326 -0.0063288), wk = 0.0035714 k( 101) = ( 0.5675804 0.1643120 0.0090090), wk = 0.0035714 k( 102) = ( 0.5600715 0.1709914 0.0243469), wk = 0.0035714 k( 103) = ( 0.5525625 0.1776707 0.0396848), wk = 0.0035714 k( 104) = ( 0.5450536 0.1843501 0.0550227), wk = 0.0035714 k( 105) = ( 0.5375447 0.1910295 0.0703606), wk = 0.0035714 k( 106) = ( 0.5300357 0.1977089 0.0856985), wk = 0.0035714 k( 107) = ( 0.5225268 0.2043883 0.1010364), wk = 0.0035714 k( 108) = ( 0.5150179 0.2110676 0.1163743), wk = 0.0035714 k( 109) = ( 0.5075089 0.2177470 0.1317121), wk = 0.0035714 k( 110) = ( 0.5000000 0.2244264 0.1470500), wk = 0.0035714 k( 111) = ( 0.5000000 0.2244264 0.1470500), wk = 0.0035714 k( 112) = ( 0.4838710 0.2171868 0.1423065), wk = 0.0035714 k( 113) = ( 0.4677419 0.2099473 0.1375629), wk = 0.0035714 k( 114) = ( 0.4516129 0.2027077 0.1328194), wk = 0.0035714 k( 115) = ( 0.4354839 0.1954681 0.1280758), wk = 0.0035714 k( 116) = ( 0.4193548 0.1882286 0.1233323), wk = 0.0035714 k( 117) = ( 0.4032258 0.1809890 0.1185887), wk = 0.0035714 k( 118) = ( 0.3870968 0.1737495 0.1138452), wk = 0.0035714 k( 119) = ( 0.3709677 0.1665099 0.1091016), wk = 0.0035714 k( 120) = ( 0.3548387 0.1592703 0.1043581), wk = 0.0035714 k( 121) = ( 0.3387097 0.1520308 0.0996145), wk = 0.0035714 k( 122) = ( 0.3225807 0.1447912 0.0948710), wk = 0.0035714 k( 123) = ( 0.3064516 0.1375517 0.0901274), wk = 0.0035714 k( 124) = ( 0.2903226 0.1303121 0.0853839), wk = 0.0035714 k( 125) = ( 0.2741936 0.1230725 0.0806403), wk = 0.0035714 k( 126) = ( 0.2580645 0.1158330 0.0758968), wk = 0.0035714 k( 127) = ( 0.2419355 0.1085934 0.0711532), wk = 0.0035714 k( 128) = ( 0.2258064 0.1013539 0.0664097), wk = 0.0035714 k( 129) = ( 0.2096774 0.0941143 0.0616661), wk = 0.0035714 k( 130) = ( 0.1935484 0.0868747 0.0569226), wk = 0.0035714 k( 131) = ( 0.1774194 0.0796352 0.0521790), wk = 0.0035714 k( 132) = ( 0.1612903 0.0723956 0.0474355), wk = 0.0035714 k( 133) = ( 0.1451613 0.0651560 0.0426919), wk = 0.0035714 k( 134) = ( 0.1290323 0.0579165 0.0379484), wk = 0.0035714 k( 135) = ( 0.1129032 0.0506769 0.0332048), wk = 0.0035714 k( 136) = ( 0.0967742 0.0434374 0.0284613), wk = 0.0035714 k( 137) = ( 0.0806452 0.0361978 0.0237177), wk = 0.0035714 k( 138) = ( 0.0645161 0.0289582 0.0189742), wk = 0.0035714 k( 139) = ( 0.0483871 0.0217187 0.0142306), wk = 0.0035714 k( 140) = ( 0.0322581 0.0144791 0.0094871), wk = 0.0035714 k( 141) = ( 0.0161290 0.0072396 0.0047435), wk = 0.0035714 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 144) = ( 0.0076028 -0.0067629 -0.0155296), wk = 0.0035714 k( 145) = ( 0.0152055 -0.0135257 -0.0310591), wk = 0.0035714 k( 146) = ( 0.0228083 -0.0202886 -0.0465887), wk = 0.0035714 k( 147) = ( 0.0304111 -0.0270514 -0.0621183), wk = 0.0035714 k( 148) = ( 0.0380139 -0.0338143 -0.0776478), wk = 0.0035714 k( 149) = ( 0.0456166 -0.0405771 -0.0931774), wk = 0.0035714 k( 150) = ( 0.0532194 -0.0473400 -0.1087070), wk = 0.0035714 k( 151) = ( 0.0608222 -0.0541028 -0.1242366), wk = 0.0035714 k( 152) = ( 0.0684249 -0.0608657 -0.1397661), wk = 0.0035714 k( 153) = ( 0.0760277 -0.0676285 -0.1552957), wk = 0.0035714 k( 154) = ( 0.0836305 -0.0743914 -0.1708253), wk = 0.0035714 k( 155) = ( 0.0912333 -0.0811542 -0.1863548), wk = 0.0035714 k( 156) = ( 0.0988360 -0.0879171 -0.2018844), wk = 0.0035714 k( 157) = ( 0.1064388 -0.0946799 -0.2174140), wk = 0.0035714 k( 158) = ( 0.1140416 -0.1014428 -0.2329435), wk = 0.0035714 k( 159) = ( 0.1216444 -0.1082056 -0.2484731), wk = 0.0035714 k( 160) = ( 0.1292471 -0.1149685 -0.2640027), wk = 0.0035714 k( 161) = ( 0.1368499 -0.1217314 -0.2795322), wk = 0.0035714 k( 162) = ( 0.1444527 -0.1284942 -0.2950618), wk = 0.0035714 k( 163) = ( 0.1520555 -0.1352571 -0.3105914), wk = 0.0035714 k( 164) = ( 0.1596582 -0.1420199 -0.3261209), wk = 0.0035714 k( 165) = ( 0.1672610 -0.1487828 -0.3416505), wk = 0.0035714 k( 166) = ( 0.1748638 -0.1555456 -0.3571801), wk = 0.0035714 k( 167) = ( 0.1824665 -0.1623085 -0.3727097), wk = 0.0035714 k( 168) = ( 0.1900693 -0.1690713 -0.3882392), wk = 0.0035714 k( 169) = ( 0.1976721 -0.1758342 -0.4037688), wk = 0.0035714 k( 170) = ( 0.2052749 -0.1825970 -0.4192984), wk = 0.0035714 k( 171) = ( 0.2128776 -0.1893599 -0.4348279), wk = 0.0035714 k( 172) = ( 0.2204804 -0.1961227 -0.4503575), wk = 0.0035714 k( 173) = ( 0.2280832 -0.2028856 -0.4658871), wk = 0.0035714 k( 174) = ( 0.2356860 -0.2096484 -0.4814166), wk = 0.0035714 k( 175) = ( 0.2432887 -0.2164113 -0.4969462), wk = 0.0035714 k( 176) = ( 0.2508915 -0.2231741 -0.5124758), wk = 0.0035714 k( 177) = ( 0.2584943 -0.2299370 -0.5280053), wk = 0.0035714 k( 178) = ( 0.2660970 -0.2366999 -0.5435349), wk = 0.0035714 k( 179) = ( 0.2736998 -0.2434627 -0.5590645), wk = 0.0035714 k( 180) = ( 0.2813026 -0.2502256 -0.5745940), wk = 0.0035714 k( 181) = ( 0.2889054 -0.2569884 -0.5901236), wk = 0.0035714 k( 182) = ( 0.2965081 -0.2637513 -0.6056532), wk = 0.0035714 k( 183) = ( 0.3041109 -0.2705141 -0.6211828), wk = 0.0035714 k( 184) = ( 0.3117137 -0.2772770 -0.6367123), wk = 0.0035714 k( 185) = ( 0.3193164 -0.2840398 -0.6522419), wk = 0.0035714 k( 186) = ( 0.3269192 -0.2908027 -0.6677715), wk = 0.0035714 k( 187) = ( 0.3345220 -0.2975655 -0.6833010), wk = 0.0035714 k( 188) = ( 0.3421248 -0.3043284 -0.6988306), wk = 0.0035714 k( 189) = ( 0.3497275 -0.3110912 -0.7143602), wk = 0.0035714 k( 190) = ( 0.3573303 -0.3178541 -0.7298897), wk = 0.0035714 k( 191) = ( 0.6426697 -0.0934277 -0.5828397), wk = 0.0035714 k( 192) = ( 0.6351608 -0.0766985 -0.5828397), wk = 0.0035714 k( 193) = ( 0.6276518 -0.0599694 -0.5828397), wk = 0.0035714 k( 194) = ( 0.6201429 -0.0432402 -0.5828397), wk = 0.0035714 k( 195) = ( 0.6126340 -0.0265110 -0.5828397), wk = 0.0035714 k( 196) = ( 0.6051250 -0.0097819 -0.5828397), wk = 0.0035714 k( 197) = ( 0.5976161 0.0069473 -0.5828397), wk = 0.0035714 k( 198) = ( 0.5901072 0.0236764 -0.5828397), wk = 0.0035714 k( 199) = ( 0.5825982 0.0404056 -0.5828397), wk = 0.0035714 k( 200) = ( 0.5750893 0.0571348 -0.5828397), wk = 0.0035714 k( 201) = ( 0.5675804 0.0738639 -0.5828397), wk = 0.0035714 k( 202) = ( 0.5600715 0.0905931 -0.5828397), wk = 0.0035714 k( 203) = ( 0.5525625 0.1073223 -0.5828397), wk = 0.0035714 k( 204) = ( 0.5450536 0.1240514 -0.5828397), wk = 0.0035714 k( 205) = ( 0.5375447 0.1407806 -0.5828397), wk = 0.0035714 k( 206) = ( 0.5300357 0.1575097 -0.5828397), wk = 0.0035714 k( 207) = ( 0.5225268 0.1742389 -0.5828397), wk = 0.0035714 k( 208) = ( 0.5150179 0.1909681 -0.5828397), wk = 0.0035714 k( 209) = ( 0.5075089 0.2076972 -0.5828397), wk = 0.0035714 k( 210) = ( 0.5000000 0.2244264 -0.5828397), wk = 0.0035714 k( 211) = ( 0.5000000 0.2244264 -0.5828397), wk = 0.0035714 k( 212) = ( 0.5118891 0.2297629 -0.5705855), wk = 0.0035714 k( 213) = ( 0.5237783 0.2350993 -0.5583314), wk = 0.0035714 k( 214) = ( 0.5356674 0.2404358 -0.5460772), wk = 0.0035714 k( 215) = ( 0.5475566 0.2457723 -0.5338230), wk = 0.0035714 k( 216) = ( 0.5594457 0.2511088 -0.5215689), wk = 0.0035714 k( 217) = ( 0.5713348 0.2564452 -0.5093147), wk = 0.0035714 k( 218) = ( 0.5832240 0.2617817 -0.4970605), wk = 0.0035714 k( 219) = ( 0.5951131 0.2671182 -0.4848064), wk = 0.0035714 k( 220) = ( 0.6070023 0.2724547 -0.4725522), wk = 0.0035714 k( 221) = ( 0.6188914 0.2777911 -0.4602980), wk = 0.0035714 k( 222) = ( 0.6307805 0.2831276 -0.4480438), wk = 0.0035714 k( 223) = ( 0.6426697 0.2884641 -0.4357897), wk = 0.0035714 k( 224) = ( 0.6426697 0.2884641 -0.4357897), wk = 0.0035714 k( 225) = ( 0.6383464 0.2865235 -0.4181279), wk = 0.0035714 k( 226) = ( 0.6340231 0.2845830 -0.4004661), wk = 0.0035714 k( 227) = ( 0.6296997 0.2826425 -0.3828042), wk = 0.0035714 k( 228) = ( 0.6253764 0.2807019 -0.3651425), wk = 0.0035714 k( 229) = ( 0.6210531 0.2787614 -0.3474806), wk = 0.0035714 k( 230) = ( 0.6167297 0.2768209 -0.3298188), wk = 0.0035714 k( 231) = ( 0.6124064 0.2748803 -0.3121570), wk = 0.0035714 k( 232) = ( 0.6080831 0.2729398 -0.2944952), wk = 0.0035714 k( 233) = ( 0.6037598 0.2709993 -0.2768334), wk = 0.0035714 k( 234) = ( 0.5994365 0.2690587 -0.2591716), wk = 0.0035714 k( 235) = ( 0.5951131 0.2671182 -0.2415098), wk = 0.0035714 k( 236) = ( 0.5907898 0.2651777 -0.2238480), wk = 0.0035714 k( 237) = ( 0.5864665 0.2632371 -0.2061862), wk = 0.0035714 k( 238) = ( 0.5821432 0.2612966 -0.1885244), wk = 0.0035714 k( 239) = ( 0.5778198 0.2593560 -0.1708625), wk = 0.0035714 k( 240) = ( 0.5734965 0.2574155 -0.1532007), wk = 0.0035714 k( 241) = ( 0.5691732 0.2554750 -0.1355389), wk = 0.0035714 k( 242) = ( 0.5648499 0.2535344 -0.1178771), wk = 0.0035714 k( 243) = ( 0.5605265 0.2515939 -0.1002153), wk = 0.0035714 k( 244) = ( 0.5562032 0.2496534 -0.0825535), wk = 0.0035714 k( 245) = ( 0.5518799 0.2477128 -0.0648917), wk = 0.0035714 k( 246) = ( 0.5475566 0.2457723 -0.0472299), wk = 0.0035714 k( 247) = ( 0.5432332 0.2438318 -0.0295681), wk = 0.0035714 k( 248) = ( 0.5389099 0.2418912 -0.0119063), wk = 0.0035714 k( 249) = ( 0.5345866 0.2399507 0.0057555), wk = 0.0035714 k( 250) = ( 0.5302633 0.2380101 0.0234174), wk = 0.0035714 k( 251) = ( 0.5259399 0.2360696 0.0410792), wk = 0.0035714 k( 252) = ( 0.5216166 0.2341291 0.0587410), wk = 0.0035714 k( 253) = ( 0.5172933 0.2321885 0.0764028), wk = 0.0035714 k( 254) = ( 0.5129700 0.2302480 0.0940646), wk = 0.0035714 k( 255) = ( 0.5086466 0.2283075 0.1117264), wk = 0.0035714 k( 256) = ( 0.5043233 0.2263669 0.1293882), wk = 0.0035714 k( 257) = ( 0.5000000 0.2244264 0.1470500), wk = 0.0035714 k( 258) = ( 0.5000000 -0.4447623 -0.2914199), wk = 0.0035714 k( 259) = ( 0.5129700 -0.4345611 -0.2847358), wk = 0.0035714 k( 260) = ( 0.5259399 -0.4243599 -0.2780517), wk = 0.0035714 k( 261) = ( 0.5389099 -0.4141587 -0.2713676), wk = 0.0035714 k( 262) = ( 0.5518799 -0.4039575 -0.2646835), wk = 0.0035714 k( 263) = ( 0.5648499 -0.3937563 -0.2579994), wk = 0.0035714 k( 264) = ( 0.5778198 -0.3835551 -0.2513153), wk = 0.0035714 k( 265) = ( 0.5907898 -0.3733539 -0.2446312), wk = 0.0035714 k( 266) = ( 0.6037598 -0.3631527 -0.2379471), wk = 0.0035714 k( 267) = ( 0.6167297 -0.3529515 -0.2312630), wk = 0.0035714 k( 268) = ( 0.6296997 -0.3427503 -0.2245789), wk = 0.0035714 k( 269) = ( 0.6426697 -0.3325491 -0.2178948), wk = 0.0035714 k( 270) = ( 0.6556397 -0.3223479 -0.2112108), wk = 0.0035714 k( 271) = ( 0.6686096 -0.3121467 -0.2045267), wk = 0.0035714 k( 272) = ( 0.6815796 -0.3019455 -0.1978426), wk = 0.0035714 k( 273) = ( 0.6945496 -0.2917443 -0.1911585), wk = 0.0035714 k( 274) = ( 0.7075196 -0.2815431 -0.1844744), wk = 0.0035714 k( 275) = ( 0.7204895 -0.2713419 -0.1777903), wk = 0.0035714 k( 276) = ( 0.7334595 -0.2611407 -0.1711062), wk = 0.0035714 k( 277) = ( 0.7464295 -0.2509395 -0.1644221), wk = 0.0035714 k( 278) = ( 0.7593994 -0.2407383 -0.1577380), wk = 0.0035714 k( 279) = ( 0.7723694 -0.2305371 -0.1510539), wk = 0.0035714 k( 280) = ( 0.7853394 -0.2203359 -0.1443698), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0035714 k( 3) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0035714 k( 4) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0035714 k( 5) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0035714 k( 6) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0035714 k( 7) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0035714 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0035714 k( 9) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0035714 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0035714 k( 11) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0035714 k( 12) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0035714 k( 13) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0035714 k( 14) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0035714 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0035714 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0035714 k( 17) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0035714 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0035714 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0035714 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0035714 k( 21) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0035714 k( 22) = ( 0.2625000 -0.0000000 -0.0000000), wk = 0.0035714 k( 23) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0035714 k( 24) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0035714 k( 25) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0035714 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0035714 k( 27) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0035714 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0035714 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0035714 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0035714 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0035714 k( 32) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0035714 k( 33) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0035714 k( 34) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0035714 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0035714 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0035714 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0035714 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0035714 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0035714 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0035714 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035714 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035714 k( 43) = ( 0.5000000 0.0074021 -0.0074021), wk = 0.0035714 k( 44) = ( 0.5000000 0.0148042 -0.0148042), wk = 0.0035714 k( 45) = ( 0.5000000 0.0222063 -0.0222063), wk = 0.0035714 k( 46) = ( 0.5000000 0.0296084 -0.0296084), wk = 0.0035714 k( 47) = ( 0.5000000 0.0370104 -0.0370105), wk = 0.0035714 k( 48) = ( 0.5000000 0.0444125 -0.0444125), wk = 0.0035714 k( 49) = ( 0.5000000 0.0518146 -0.0518146), wk = 0.0035714 k( 50) = ( 0.5000000 0.0592167 -0.0592167), wk = 0.0035714 k( 51) = ( 0.5000000 0.0666188 -0.0666188), wk = 0.0035714 k( 52) = ( 0.5000000 0.0740209 -0.0740209), wk = 0.0035714 k( 53) = ( 0.5000000 0.0814230 -0.0814230), wk = 0.0035714 k( 54) = ( 0.5000000 0.0888251 -0.0888251), wk = 0.0035714 k( 55) = ( 0.5000000 0.0962272 -0.0962272), wk = 0.0035714 k( 56) = ( 0.5000000 0.1036293 -0.1036293), wk = 0.0035714 k( 57) = ( 0.5000000 0.1110313 -0.1110314), wk = 0.0035714 k( 58) = ( 0.5000000 0.1184334 -0.1184334), wk = 0.0035714 k( 59) = ( 0.5000000 0.1258355 -0.1258355), wk = 0.0035714 k( 60) = ( 0.5000000 0.1332376 -0.1332376), wk = 0.0035714 k( 61) = ( 0.5000000 0.1406397 -0.1406397), wk = 0.0035714 k( 62) = ( 0.5000000 0.1480418 -0.1480418), wk = 0.0035714 k( 63) = ( 0.5000000 0.1554439 -0.1554439), wk = 0.0035714 k( 64) = ( 0.5000000 0.1628460 -0.1628460), wk = 0.0035714 k( 65) = ( 0.5000000 0.1702481 -0.1702481), wk = 0.0035714 k( 66) = ( 0.5000000 0.1776502 -0.1776502), wk = 0.0035714 k( 67) = ( 0.5000000 0.1850523 -0.1850523), wk = 0.0035714 k( 68) = ( 0.5000000 0.1924543 -0.1924543), wk = 0.0035714 k( 69) = ( 0.5000000 0.1998564 -0.1998564), wk = 0.0035714 k( 70) = ( 0.5000000 0.2072585 -0.2072585), wk = 0.0035714 k( 71) = ( 0.5000000 0.2146606 -0.2146606), wk = 0.0035714 k( 72) = ( 0.7853394 0.5000000 0.2146606), wk = 0.0035714 k( 73) = ( 0.7778305 0.5000000 0.2221695), wk = 0.0035714 k( 74) = ( 0.7703215 0.5000000 0.2296785), wk = 0.0035714 k( 75) = ( 0.7628126 0.5000000 0.2371874), wk = 0.0035714 k( 76) = ( 0.7553037 0.5000000 0.2446963), wk = 0.0035714 k( 77) = ( 0.7477947 0.5000000 0.2522053), wk = 0.0035714 k( 78) = ( 0.7402858 0.5000000 0.2597142), wk = 0.0035714 k( 79) = ( 0.7327769 0.5000000 0.2672231), wk = 0.0035714 k( 80) = ( 0.7252679 0.5000000 0.2747321), wk = 0.0035714 k( 81) = ( 0.7177590 0.5000000 0.2822410), wk = 0.0035714 k( 82) = ( 0.7102501 0.5000000 0.2897499), wk = 0.0035714 k( 83) = ( 0.7027412 0.5000000 0.2972589), wk = 0.0035714 k( 84) = ( 0.6952322 0.5000000 0.3047678), wk = 0.0035714 k( 85) = ( 0.6877233 0.5000000 0.3122767), wk = 0.0035714 k( 86) = ( 0.6802143 0.5000000 0.3197856), wk = 0.0035714 k( 87) = ( 0.6727054 0.5000000 0.3272946), wk = 0.0035714 k( 88) = ( 0.6651965 0.5000000 0.3348035), wk = 0.0035714 k( 89) = ( 0.6576876 0.5000000 0.3423124), wk = 0.0035714 k( 90) = ( 0.6501786 0.5000000 0.3498214), wk = 0.0035714 k( 91) = ( 0.6426697 0.5000000 0.3573303), wk = 0.0035714 k( 92) = ( 0.6351608 0.5000000 0.3648392), wk = 0.0035714 k( 93) = ( 0.6276518 0.5000000 0.3723482), wk = 0.0035714 k( 94) = ( 0.6201429 0.5000000 0.3798571), wk = 0.0035714 k( 95) = ( 0.6126340 0.5000000 0.3873660), wk = 0.0035714 k( 96) = ( 0.6051250 0.5000000 0.3948750), wk = 0.0035714 k( 97) = ( 0.5976161 0.5000000 0.4023839), wk = 0.0035714 k( 98) = ( 0.5901072 0.5000000 0.4098928), wk = 0.0035714 k( 99) = ( 0.5825982 0.5000000 0.4174018), wk = 0.0035714 k( 100) = ( 0.5750893 0.5000000 0.4249107), wk = 0.0035714 k( 101) = ( 0.5675804 0.5000000 0.4324196), wk = 0.0035714 k( 102) = ( 0.5600715 0.5000000 0.4399286), wk = 0.0035714 k( 103) = ( 0.5525625 0.5000000 0.4474375), wk = 0.0035714 k( 104) = ( 0.5450536 0.5000000 0.4549464), wk = 0.0035714 k( 105) = ( 0.5375447 0.5000000 0.4624553), wk = 0.0035714 k( 106) = ( 0.5300357 0.5000000 0.4699643), wk = 0.0035714 k( 107) = ( 0.5225268 0.5000000 0.4774732), wk = 0.0035714 k( 108) = ( 0.5150179 0.5000000 0.4849821), wk = 0.0035714 k( 109) = ( 0.5075089 0.5000000 0.4924911), wk = 0.0035714 k( 110) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 111) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 112) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0035714 k( 113) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0035714 k( 114) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0035714 k( 115) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0035714 k( 116) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0035714 k( 117) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0035714 k( 118) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0035714 k( 119) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0035714 k( 120) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0035714 k( 121) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0035714 k( 122) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0035714 k( 123) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0035714 k( 124) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0035714 k( 125) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0035714 k( 126) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0035714 k( 127) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0035714 k( 128) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0035714 k( 129) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0035714 k( 130) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0035714 k( 131) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0035714 k( 132) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0035714 k( 133) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0035714 k( 134) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0035714 k( 135) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0035714 k( 136) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0035714 k( 137) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0035714 k( 138) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0035714 k( 139) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0035714 k( 140) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0035714 k( 141) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0035714 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 144) = ( 0.0076028 -0.0000000 -0.0076028), wk = 0.0035714 k( 145) = ( 0.0152055 -0.0000000 -0.0152055), wk = 0.0035714 k( 146) = ( 0.0228083 -0.0000000 -0.0228083), wk = 0.0035714 k( 147) = ( 0.0304111 0.0000000 -0.0304111), wk = 0.0035714 k( 148) = ( 0.0380139 -0.0000000 -0.0380139), wk = 0.0035714 k( 149) = ( 0.0456166 -0.0000000 -0.0456166), wk = 0.0035714 k( 150) = ( 0.0532194 -0.0000000 -0.0532194), wk = 0.0035714 k( 151) = ( 0.0608222 0.0000000 -0.0608222), wk = 0.0035714 k( 152) = ( 0.0684249 -0.0000000 -0.0684250), wk = 0.0035714 k( 153) = ( 0.0760277 -0.0000000 -0.0760277), wk = 0.0035714 k( 154) = ( 0.0836305 -0.0000000 -0.0836305), wk = 0.0035714 k( 155) = ( 0.0912333 -0.0000000 -0.0912333), wk = 0.0035714 k( 156) = ( 0.0988360 0.0000000 -0.0988360), wk = 0.0035714 k( 157) = ( 0.1064388 -0.0000000 -0.1064388), wk = 0.0035714 k( 158) = ( 0.1140416 -0.0000000 -0.1140416), wk = 0.0035714 k( 159) = ( 0.1216444 0.0000000 -0.1216444), wk = 0.0035714 k( 160) = ( 0.1292471 -0.0000000 -0.1292471), wk = 0.0035714 k( 161) = ( 0.1368499 -0.0000000 -0.1368499), wk = 0.0035714 k( 162) = ( 0.1444527 -0.0000000 -0.1444527), wk = 0.0035714 k( 163) = ( 0.1520555 -0.0000000 -0.1520555), wk = 0.0035714 k( 164) = ( 0.1596582 -0.0000000 -0.1596582), wk = 0.0035714 k( 165) = ( 0.1672610 -0.0000000 -0.1672610), wk = 0.0035714 k( 166) = ( 0.1748638 -0.0000000 -0.1748638), wk = 0.0035714 k( 167) = ( 0.1824665 -0.0000000 -0.1824665), wk = 0.0035714 k( 168) = ( 0.1900693 -0.0000000 -0.1900693), wk = 0.0035714 k( 169) = ( 0.1976721 0.0000000 -0.1976721), wk = 0.0035714 k( 170) = ( 0.2052749 -0.0000000 -0.2052749), wk = 0.0035714 k( 171) = ( 0.2128776 -0.0000000 -0.2128776), wk = 0.0035714 k( 172) = ( 0.2204804 -0.0000000 -0.2204804), wk = 0.0035714 k( 173) = ( 0.2280832 -0.0000000 -0.2280832), wk = 0.0035714 k( 174) = ( 0.2356860 -0.0000000 -0.2356860), wk = 0.0035714 k( 175) = ( 0.2432887 0.0000000 -0.2432887), wk = 0.0035714 k( 176) = ( 0.2508915 -0.0000000 -0.2508915), wk = 0.0035714 k( 177) = ( 0.2584943 -0.0000000 -0.2584943), wk = 0.0035714 k( 178) = ( 0.2660970 -0.0000000 -0.2660970), wk = 0.0035714 k( 179) = ( 0.2736998 -0.0000000 -0.2736998), wk = 0.0035714 k( 180) = ( 0.2813026 0.0000000 -0.2813026), wk = 0.0035714 k( 181) = ( 0.2889054 -0.0000000 -0.2889054), wk = 0.0035714 k( 182) = ( 0.2965081 -0.0000000 -0.2965081), wk = 0.0035714 k( 183) = ( 0.3041109 -0.0000000 -0.3041109), wk = 0.0035714 k( 184) = ( 0.3117137 -0.0000000 -0.3117137), wk = 0.0035714 k( 185) = ( 0.3193164 -0.0000000 -0.3193164), wk = 0.0035714 k( 186) = ( 0.3269192 -0.0000000 -0.3269192), wk = 0.0035714 k( 187) = ( 0.3345220 -0.0000000 -0.3345220), wk = 0.0035714 k( 188) = ( 0.3421248 -0.0000000 -0.3421248), wk = 0.0035714 k( 189) = ( 0.3497275 -0.0000000 -0.3497275), wk = 0.0035714 k( 190) = ( 0.3573303 -0.0000000 -0.3573303), wk = 0.0035714 k( 191) = ( 0.6426697 0.3573303 -0.0000000), wk = 0.0035714 k( 192) = ( 0.6351608 0.3648392 0.0000000), wk = 0.0035714 k( 193) = ( 0.6276518 0.3723482 0.0000000), wk = 0.0035714 k( 194) = ( 0.6201429 0.3798571 0.0000000), wk = 0.0035714 k( 195) = ( 0.6126340 0.3873660 -0.0000000), wk = 0.0035714 k( 196) = ( 0.6051250 0.3948750 0.0000000), wk = 0.0035714 k( 197) = ( 0.5976161 0.4023839 -0.0000000), wk = 0.0035714 k( 198) = ( 0.5901072 0.4098928 -0.0000000), wk = 0.0035714 k( 199) = ( 0.5825982 0.4174018 -0.0000000), wk = 0.0035714 k( 200) = ( 0.5750893 0.4249107 0.0000000), wk = 0.0035714 k( 201) = ( 0.5675804 0.4324196 0.0000000), wk = 0.0035714 k( 202) = ( 0.5600715 0.4399286 0.0000000), wk = 0.0035714 k( 203) = ( 0.5525625 0.4474375 -0.0000000), wk = 0.0035714 k( 204) = ( 0.5450536 0.4549464 -0.0000000), wk = 0.0035714 k( 205) = ( 0.5375447 0.4624553 0.0000000), wk = 0.0035714 k( 206) = ( 0.5300357 0.4699643 -0.0000000), wk = 0.0035714 k( 207) = ( 0.5225268 0.4774732 -0.0000000), wk = 0.0035714 k( 208) = ( 0.5150179 0.4849821 -0.0000000), wk = 0.0035714 k( 209) = ( 0.5075089 0.4924911 0.0000000), wk = 0.0035714 k( 210) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 211) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 212) = ( 0.5118891 0.5118891 0.0178884), wk = 0.0035714 k( 213) = ( 0.5237783 0.5237783 0.0357768), wk = 0.0035714 k( 214) = ( 0.5356674 0.5356674 0.0536652), wk = 0.0035714 k( 215) = ( 0.5475566 0.5475566 0.0715535), wk = 0.0035714 k( 216) = ( 0.5594457 0.5594457 0.0894419), wk = 0.0035714 k( 217) = ( 0.5713348 0.5713348 0.1073303), wk = 0.0035714 k( 218) = ( 0.5832240 0.5832240 0.1252187), wk = 0.0035714 k( 219) = ( 0.5951131 0.5951131 0.1431071), wk = 0.0035714 k( 220) = ( 0.6070023 0.6070023 0.1609955), wk = 0.0035714 k( 221) = ( 0.6188914 0.6188914 0.1788838), wk = 0.0035714 k( 222) = ( 0.6307805 0.6307805 0.1967722), wk = 0.0035714 k( 223) = ( 0.6426697 0.6426697 0.2146606), wk = 0.0035714 k( 224) = ( 0.6426697 0.6426697 0.2146606), wk = 0.0035714 k( 225) = ( 0.6383464 0.6383464 0.2233073), wk = 0.0035714 k( 226) = ( 0.6340231 0.6340231 0.2319539), wk = 0.0035714 k( 227) = ( 0.6296997 0.6296997 0.2406006), wk = 0.0035714 k( 228) = ( 0.6253764 0.6253764 0.2492472), wk = 0.0035714 k( 229) = ( 0.6210531 0.6210531 0.2578939), wk = 0.0035714 k( 230) = ( 0.6167297 0.6167297 0.2665405), wk = 0.0035714 k( 231) = ( 0.6124064 0.6124064 0.2751872), wk = 0.0035714 k( 232) = ( 0.6080831 0.6080831 0.2838338), wk = 0.0035714 k( 233) = ( 0.6037598 0.6037598 0.2924804), wk = 0.0035714 k( 234) = ( 0.5994365 0.5994365 0.3011271), wk = 0.0035714 k( 235) = ( 0.5951131 0.5951131 0.3097737), wk = 0.0035714 k( 236) = ( 0.5907898 0.5907898 0.3184204), wk = 0.0035714 k( 237) = ( 0.5864665 0.5864665 0.3270670), wk = 0.0035714 k( 238) = ( 0.5821432 0.5821432 0.3357137), wk = 0.0035714 k( 239) = ( 0.5778198 0.5778198 0.3443603), wk = 0.0035714 k( 240) = ( 0.5734965 0.5734965 0.3530070), wk = 0.0035714 k( 241) = ( 0.5691732 0.5691732 0.3616536), wk = 0.0035714 k( 242) = ( 0.5648499 0.5648499 0.3703003), wk = 0.0035714 k( 243) = ( 0.5605265 0.5605265 0.3789469), wk = 0.0035714 k( 244) = ( 0.5562032 0.5562032 0.3875936), wk = 0.0035714 k( 245) = ( 0.5518799 0.5518799 0.3962402), wk = 0.0035714 k( 246) = ( 0.5475566 0.5475566 0.4048869), wk = 0.0035714 k( 247) = ( 0.5432332 0.5432332 0.4135335), wk = 0.0035714 k( 248) = ( 0.5389099 0.5389099 0.4221802), wk = 0.0035714 k( 249) = ( 0.5345866 0.5345866 0.4308268), wk = 0.0035714 k( 250) = ( 0.5302633 0.5302633 0.4394735), wk = 0.0035714 k( 251) = ( 0.5259399 0.5259399 0.4481201), wk = 0.0035714 k( 252) = ( 0.5216166 0.5216166 0.4567668), wk = 0.0035714 k( 253) = ( 0.5172933 0.5172933 0.4654134), wk = 0.0035714 k( 254) = ( 0.5129700 0.5129700 0.4740601), wk = 0.0035714 k( 255) = ( 0.5086466 0.5086467 0.4827067), wk = 0.0035714 k( 256) = ( 0.5043233 0.5043233 0.4913534), wk = 0.0035714 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 258) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035714 k( 259) = ( 0.5129700 0.0162423 0.0162423), wk = 0.0035714 k( 260) = ( 0.5259399 0.0324846 0.0324846), wk = 0.0035714 k( 261) = ( 0.5389099 0.0487269 0.0487269), wk = 0.0035714 k( 262) = ( 0.5518799 0.0649691 0.0649691), wk = 0.0035714 k( 263) = ( 0.5648499 0.0812114 0.0812114), wk = 0.0035714 k( 264) = ( 0.5778198 0.0974537 0.0974537), wk = 0.0035714 k( 265) = ( 0.5907898 0.1136960 0.1136960), wk = 0.0035714 k( 266) = ( 0.6037598 0.1299383 0.1299383), wk = 0.0035714 k( 267) = ( 0.6167297 0.1461806 0.1461806), wk = 0.0035714 k( 268) = ( 0.6296997 0.1624229 0.1624229), wk = 0.0035714 k( 269) = ( 0.6426697 0.1786651 0.1786651), wk = 0.0035714 k( 270) = ( 0.6556397 0.1949074 0.1949074), wk = 0.0035714 k( 271) = ( 0.6686096 0.2111497 0.2111497), wk = 0.0035714 k( 272) = ( 0.6815796 0.2273920 0.2273920), wk = 0.0035714 k( 273) = ( 0.6945496 0.2436343 0.2436343), wk = 0.0035714 k( 274) = ( 0.7075196 0.2598766 0.2598766), wk = 0.0035714 k( 275) = ( 0.7204895 0.2761189 0.2761189), wk = 0.0035714 k( 276) = ( 0.7334595 0.2923612 0.2923612), wk = 0.0035714 k( 277) = ( 0.7464295 0.3086035 0.3086035), wk = 0.0035714 k( 278) = ( 0.7593994 0.3248457 0.3248457), wk = 0.0035714 k( 279) = ( 0.7723694 0.3410880 0.3410880), wk = 0.0035714 k( 280) = ( 0.7853394 0.3573303 0.3573303), wk = 0.0035714 Dense grid: 69207 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 30163 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 228, 80) NL pseudopotentials 0.31 Mb ( 114, 180) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1925) G-vector shells 0.01 Mb ( 1573) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.11 Mb ( 228, 320) Each subspace H/S matrix 0.10 Mb ( 80, 80) Each matrix 0.44 Mb ( 180, 2, 80) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./CuCO3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.5 secs Computing kpt #: 3 total cpu time spent up to now is 9.3 secs Computing kpt #: 4 total cpu time spent up to now is 11.2 secs Computing kpt #: 5 total cpu time spent up to now is 12.8 secs Computing kpt #: 6 total cpu time spent up to now is 14.1 secs Computing kpt #: 7 total cpu time spent up to now is 15.3 secs Computing kpt #: 8 total cpu time spent up to now is 16.4 secs Computing kpt #: 9 total cpu time spent up to now is 17.4 secs Computing kpt #: 10 total cpu time spent up to now is 18.5 secs Computing kpt #: 11 total cpu time spent up to now is 19.5 secs Computing kpt #: 12 total cpu time spent up to now is 20.4 secs Computing kpt #: 13 total cpu time spent up to now is 21.4 secs Computing kpt #: 14 total cpu time spent up to now is 22.3 secs Computing kpt #: 15 total cpu time spent up to now is 23.3 secs Computing kpt #: 16 total cpu time spent up to now is 24.2 secs Computing kpt #: 17 total cpu time spent up to now is 25.1 secs Computing kpt #: 18 total cpu time spent up to now is 26.1 secs Computing kpt #: 19 total cpu time spent up to now is 27.0 secs Computing kpt #: 20 total cpu time spent up to now is 28.0 secs Computing kpt #: 21 total cpu time spent up to now is 29.1 secs Computing kpt #: 22 total cpu time spent up to now is 30.1 secs Computing kpt #: 23 total cpu time spent up to now is 31.2 secs Computing kpt #: 24 total cpu time spent up to now is 32.3 secs Computing kpt #: 25 total cpu time spent up to now is 33.4 secs Computing kpt #: 26 total cpu time spent up to now is 34.5 secs Computing kpt #: 27 total cpu time spent up to now is 35.7 secs Computing kpt #: 28 total cpu time spent up to now is 36.8 secs Computing kpt #: 29 total cpu time spent up to now is 37.9 secs Computing kpt #: 30 total cpu time spent up to now is 39.1 secs Computing kpt #: 31 total cpu time spent up to now is 40.2 secs Computing kpt #: 32 total cpu time spent up to now is 41.4 secs Computing kpt #: 33 total cpu time spent up to now is 42.4 secs Computing kpt #: 34 total cpu time spent up to now is 43.5 secs Computing kpt #: 35 total cpu time spent up to now is 44.6 secs Computing kpt #: 36 total cpu time spent up to now is 45.7 secs Computing kpt #: 37 total cpu time spent up to now is 46.8 secs Computing kpt #: 38 total cpu time spent up to now is 47.7 secs Computing kpt #: 39 total cpu time spent up to now is 48.7 secs Computing kpt #: 40 total cpu time spent up to now is 49.6 secs Computing kpt #: 41 total cpu time spent up to now is 50.6 secs Computing kpt #: 42 total cpu time spent up to now is 51.6 secs Computing kpt #: 43 total cpu time spent up to now is 52.5 secs Computing kpt #: 44 total cpu time spent up to now is 53.5 secs Computing kpt #: 45 total cpu time spent up to now is 54.4 secs Computing kpt #: 46 total cpu time spent up to now is 55.4 secs Computing kpt #: 47 total cpu time spent up to now is 56.3 secs Computing kpt #: 48 total cpu time spent up to now is 57.2 secs Computing kpt #: 49 total cpu time spent up to now is 58.1 secs Computing kpt #: 50 total cpu time spent up to now is 59.0 secs Computing kpt #: 51 total cpu time spent up to now is 59.9 secs Computing kpt #: 52 total cpu time spent up to now is 60.8 secs Computing kpt #: 53 total cpu time spent up to now is 61.7 secs Computing kpt #: 54 total cpu time spent up to now is 62.6 secs Computing kpt #: 55 total cpu time spent up to now is 63.5 secs Computing kpt #: 56 total cpu time spent up to now is 64.4 secs Computing kpt #: 57 total cpu time spent up to now is 65.3 secs Computing kpt #: 58 total cpu time spent up to now is 66.2 secs Computing kpt #: 59 total cpu time spent up to now is 67.0 secs Computing kpt #: 60 total cpu time spent up to now is 67.9 secs Computing kpt #: 61 total cpu time spent up to now is 68.8 secs Computing kpt #: 62 total cpu time spent up to now is 69.7 secs Computing kpt #: 63 total cpu time spent up to now is 70.5 secs Computing kpt #: 64 total cpu time spent up to now is 71.4 secs Computing kpt #: 65 total cpu time spent up to now is 72.3 secs Computing kpt #: 66 total cpu time spent up to now is 73.2 secs Computing kpt #: 67 total cpu time spent up to now is 74.0 secs Computing kpt #: 68 total cpu time spent up to now is 74.9 secs Computing kpt #: 69 total cpu time spent up to now is 75.8 secs Computing kpt #: 70 total cpu time spent up to now is 76.6 secs Computing kpt #: 71 total cpu time spent up to now is 77.5 secs Computing kpt #: 72 total cpu time spent up to now is 78.4 secs Computing kpt #: 73 total cpu time spent up to now is 79.2 secs Computing kpt #: 74 total cpu time spent up to now is 80.1 secs Computing kpt #: 75 total cpu time spent up to now is 81.0 secs Computing kpt #: 76 total cpu time spent up to now is 81.8 secs Computing kpt #: 77 total cpu time spent up to now is 82.7 secs Computing kpt #: 78 total cpu time spent up to now is 83.6 secs Computing kpt #: 79 total cpu time spent up to now is 84.5 secs Computing kpt #: 80 total cpu time spent up to now is 85.3 secs Computing kpt #: 81 total cpu time spent up to now is 86.2 secs Computing kpt #: 82 total cpu time spent up to now is 87.0 secs Computing kpt #: 83 total cpu time spent up to now is 87.9 secs Computing kpt #: 84 total cpu time spent up to now is 88.7 secs Computing kpt #: 85 total cpu time spent up to now is 89.6 secs Computing kpt #: 86 total cpu time spent up to now is 90.4 secs Computing kpt #: 87 total cpu time spent up to now is 91.3 secs Computing kpt #: 88 total cpu time spent up to now is 92.2 secs Computing kpt #: 89 total cpu time spent up to now is 93.0 secs Computing kpt #: 90 total cpu time spent up to now is 93.9 secs Computing kpt #: 91 total cpu time spent up to now is 94.8 secs Computing kpt #: 92 total cpu time spent up to now is 95.6 secs Computing kpt #: 93 total cpu time spent up to now is 96.5 secs Computing kpt #: 94 total cpu time spent up to now is 97.4 secs Computing kpt #: 95 total cpu time spent up to now is 98.3 secs Computing kpt #: 96 total cpu time spent up to now is 99.2 secs Computing kpt #: 97 total cpu time spent up to now is 100.1 secs Computing kpt #: 98 total cpu time spent up to now is 101.0 secs Computing kpt #: 99 total cpu time spent up to now is 101.9 secs Computing kpt #: 100 total cpu time spent up to now is 102.8 secs Computing kpt #: 101 total cpu time spent up to now is 103.7 secs Computing kpt #: 102 total cpu time spent up to now is 104.6 secs Computing kpt #: 103 total cpu time spent up to now is 105.6 secs Computing kpt #: 104 total cpu time spent up to now is 106.7 secs Computing kpt #: 105 total cpu time spent up to now is 107.7 secs Computing kpt #: 106 total cpu time spent up to now is 108.9 secs Computing kpt #: 107 total cpu time spent up to now is 110.0 secs Computing kpt #: 108 total cpu time spent up to now is 111.3 secs Computing kpt #: 109 total cpu time spent up to now is 112.6 secs Computing kpt #: 110 total cpu time spent up to now is 113.7 secs Computing kpt #: 111 total cpu time spent up to now is 114.7 secs Computing kpt #: 112 total cpu time spent up to now is 115.7 secs Computing kpt #: 113 total cpu time spent up to now is 116.8 secs Computing kpt #: 114 total cpu time spent up to now is 117.9 secs Computing kpt #: 115 total cpu time spent up to now is 119.1 secs Computing kpt #: 116 total cpu time spent up to now is 120.2 secs Computing kpt #: 117 total cpu time spent up to now is 121.4 secs Computing kpt #: 118 total cpu time spent up to now is 122.6 secs Computing kpt #: 119 total cpu time spent up to now is 123.8 secs Computing kpt #: 120 total cpu time spent up to now is 125.0 secs Computing kpt #: 121 total cpu time spent up to now is 126.3 secs Computing kpt #: 122 total cpu time spent up to now is 127.8 secs Computing kpt #: 123 total cpu time spent up to now is 129.6 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.3 secs Computing kpt #: 125 total cpu time spent up to now is 134.5 secs Computing kpt #: 126 total cpu time spent up to now is 137.2 secs Computing kpt #: 127 total cpu time spent up to now is 139.8 secs Computing kpt #: 128 total cpu time spent up to now is 142.3 secs Computing kpt #: 129 total cpu time spent up to now is 144.9 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.7 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.3 secs Computing kpt #: 132 total cpu time spent up to now is 152.3 secs Computing kpt #: 133 total cpu time spent up to now is 154.2 secs Computing kpt #: 134 total cpu time spent up to now is 156.2 secs Computing kpt #: 135 total cpu time spent up to now is 158.3 secs Computing kpt #: 136 total cpu time spent up to now is 160.3 secs Computing kpt #: 137 total cpu time spent up to now is 162.4 secs Computing kpt #: 138 total cpu time spent up to now is 164.6 secs Computing kpt #: 139 total cpu time spent up to now is 166.2 secs Computing kpt #: 140 total cpu time spent up to now is 167.7 secs Computing kpt #: 141 total cpu time spent up to now is 169.3 secs Computing kpt #: 142 total cpu time spent up to now is 171.0 secs Computing kpt #: 143 total cpu time spent up to now is 172.6 secs Computing kpt #: 144 total cpu time spent up to now is 174.6 secs Computing kpt #: 145 total cpu time spent up to now is 176.5 secs Computing kpt #: 146 total cpu time spent up to now is 178.1 secs Computing kpt #: 147 total cpu time spent up to now is 179.5 secs Computing kpt #: 148 total cpu time spent up to now is 180.7 secs Computing kpt #: 149 total cpu time spent up to now is 181.9 secs Computing kpt #: 150 total cpu time spent up to now is 182.9 secs Computing kpt #: 151 total cpu time spent up to now is 184.0 secs Computing kpt #: 152 total cpu time spent up to now is 185.0 secs Computing kpt #: 153 total cpu time spent up to now is 186.3 secs Computing kpt #: 154 total cpu time spent up to now is 187.3 secs Computing kpt #: 155 total cpu time spent up to now is 188.2 secs Computing kpt #: 156 total cpu time spent up to now is 189.2 secs Computing kpt #: 157 total cpu time spent up to now is 190.1 secs Computing kpt #: 158 total cpu time spent up to now is 191.0 secs Computing kpt #: 159 total cpu time spent up to now is 192.0 secs Computing kpt #: 160 total cpu time spent up to now is 192.9 secs Computing kpt #: 161 total cpu time spent up to now is 193.9 secs Computing kpt #: 162 total cpu time spent up to now is 194.9 secs Computing kpt #: 163 total cpu time spent up to now is 195.8 secs Computing kpt #: 164 total cpu time spent up to now is 196.9 secs Computing kpt #: 165 total cpu time spent up to now is 198.0 secs Computing kpt #: 166 total cpu time spent up to now is 199.1 secs Computing kpt #: 167 total cpu time spent up to now is 200.2 secs Computing kpt #: 168 total cpu time spent up to now is 201.3 secs Computing kpt #: 169 total cpu time spent up to now is 202.4 secs Computing kpt #: 170 total cpu time spent up to now is 203.5 secs Computing kpt #: 171 total cpu time spent up to now is 204.4 secs Computing kpt #: 172 total cpu time spent up to now is 205.4 secs Computing kpt #: 173 total cpu time spent up to now is 206.3 secs Computing kpt #: 174 total cpu time spent up to now is 207.3 secs Computing kpt #: 175 total cpu time spent up to now is 208.2 secs Computing kpt #: 176 total cpu time spent up to now is 209.1 secs Computing kpt #: 177 total cpu time spent up to now is 210.0 secs Computing kpt #: 178 total cpu time spent up to now is 210.9 secs Computing kpt #: 179 total cpu time spent up to now is 211.8 secs Computing kpt #: 180 total cpu time spent up to now is 212.7 secs Computing kpt #: 181 total cpu time spent up to now is 213.6 secs Computing kpt #: 182 total cpu time spent up to now is 214.5 secs Computing kpt #: 183 total cpu time spent up to now is 215.4 secs Computing kpt #: 184 total cpu time spent up to now is 216.3 secs Computing kpt #: 185 total cpu time spent up to now is 217.2 secs Computing kpt #: 186 total cpu time spent up to now is 218.0 secs Computing kpt #: 187 total cpu time spent up to now is 218.9 secs Computing kpt #: 188 total cpu time spent up to now is 219.8 secs Computing kpt #: 189 total cpu time spent up to now is 220.6 secs Computing kpt #: 190 total cpu time spent up to now is 221.5 secs Computing kpt #: 191 total cpu time spent up to now is 222.4 secs Computing kpt #: 192 total cpu time spent up to now is 223.2 secs Computing kpt #: 193 total cpu time spent up to now is 224.1 secs Computing kpt #: 194 total cpu time spent up to now is 225.0 secs Computing kpt #: 195 total cpu time spent up to now is 225.9 secs Computing kpt #: 196 total cpu time spent up to now is 226.7 secs Computing kpt #: 197 total cpu time spent up to now is 227.6 secs Computing kpt #: 198 total cpu time spent up to now is 228.5 secs Computing kpt #: 199 total cpu time spent up to now is 229.4 secs Computing kpt #: 200 total cpu time spent up to now is 230.3 secs Computing kpt #: 201 total cpu time spent up to now is 231.2 secs Computing kpt #: 202 total cpu time spent up to now is 232.1 secs Computing kpt #: 203 total cpu time spent up to now is 233.1 secs Computing kpt #: 204 total cpu time spent up to now is 234.0 secs Computing kpt #: 205 total cpu time spent up to now is 234.9 secs Computing kpt #: 206 total cpu time spent up to now is 235.9 secs Computing kpt #: 207 total cpu time spent up to now is 236.8 secs Computing kpt #: 208 total cpu time spent up to now is 237.7 secs Computing kpt #: 209 total cpu time spent up to now is 238.6 secs Computing kpt #: 210 total cpu time spent up to now is 239.6 secs Computing kpt #: 211 total cpu time spent up to now is 240.5 secs Computing kpt #: 212 total cpu time spent up to now is 241.5 secs Computing kpt #: 213 total cpu time spent up to now is 242.4 secs Computing kpt #: 214 total cpu time spent up to now is 243.5 secs Computing kpt #: 215 total cpu time spent up to now is 244.6 secs Computing kpt #: 216 total cpu time spent up to now is 245.6 secs Computing kpt #: 217 total cpu time spent up to now is 246.7 secs Computing kpt #: 218 total cpu time spent up to now is 247.8 secs Computing kpt #: 219 total cpu time spent up to now is 248.9 secs Computing kpt #: 220 total cpu time spent up to now is 249.9 secs Computing kpt #: 221 total cpu time spent up to now is 251.1 secs Computing kpt #: 222 total cpu time spent up to now is 252.2 secs Computing kpt #: 223 total cpu time spent up to now is 253.3 secs Computing kpt #: 224 total cpu time spent up to now is 254.2 secs Computing kpt #: 225 total cpu time spent up to now is 255.2 secs Computing kpt #: 226 total cpu time spent up to now is 256.2 secs Computing kpt #: 227 total cpu time spent up to now is 257.1 secs Computing kpt #: 228 total cpu time spent up to now is 258.1 secs Computing kpt #: 229 total cpu time spent up to now is 259.0 secs Computing kpt #: 230 total cpu time spent up to now is 260.0 secs Computing kpt #: 231 total cpu time spent up to now is 260.9 secs Computing kpt #: 232 total cpu time spent up to now is 261.8 secs Computing kpt #: 233 total cpu time spent up to now is 262.7 secs Computing kpt #: 234 total cpu time spent up to now is 263.7 secs Computing kpt #: 235 total cpu time spent up to now is 264.6 secs Computing kpt #: 236 total cpu time spent up to now is 265.5 secs Computing kpt #: 237 total cpu time spent up to now is 266.4 secs Computing kpt #: 238 total cpu time spent up to now is 267.3 secs Computing kpt #: 239 total cpu time spent up to now is 268.2 secs Computing kpt #: 240 total cpu time spent up to now is 269.1 secs Computing kpt #: 241 total cpu time spent up to now is 270.0 secs Computing kpt #: 242 total cpu time spent up to now is 270.9 secs Computing kpt #: 243 total cpu time spent up to now is 271.8 secs Computing kpt #: 244 total cpu time spent up to now is 272.7 secs Computing kpt #: 245 total cpu time spent up to now is 273.6 secs Computing kpt #: 246 total cpu time spent up to now is 274.5 secs Computing kpt #: 247 total cpu time spent up to now is 275.4 secs Computing kpt #: 248 total cpu time spent up to now is 276.3 secs Computing kpt #: 249 total cpu time spent up to now is 277.2 secs Computing kpt #: 250 total cpu time spent up to now is 278.3 secs Computing kpt #: 251 total cpu time spent up to now is 279.3 secs Computing kpt #: 252 total cpu time spent up to now is 280.4 secs Computing kpt #: 253 total cpu time spent up to now is 281.5 secs Computing kpt #: 254 total cpu time spent up to now is 282.7 secs Computing kpt #: 255 total cpu time spent up to now is 284.0 secs Computing kpt #: 256 total cpu time spent up to now is 285.3 secs Computing kpt #: 257 total cpu time spent up to now is 286.3 secs Computing kpt #: 258 total cpu time spent up to now is 287.3 secs Computing kpt #: 259 total cpu time spent up to now is 288.2 secs Computing kpt #: 260 total cpu time spent up to now is 289.2 secs Computing kpt #: 261 total cpu time spent up to now is 290.1 secs Computing kpt #: 262 total cpu time spent up to now is 291.1 secs Computing kpt #: 263 total cpu time spent up to now is 292.1 secs Computing kpt #: 264 total cpu time spent up to now is 293.0 secs Computing kpt #: 265 total cpu time spent up to now is 293.9 secs Computing kpt #: 266 total cpu time spent up to now is 294.9 secs Computing kpt #: 267 total cpu time spent up to now is 295.8 secs Computing kpt #: 268 total cpu time spent up to now is 296.7 secs Computing kpt #: 269 total cpu time spent up to now is 297.6 secs Computing kpt #: 270 total cpu time spent up to now is 298.6 secs Computing kpt #: 271 total cpu time spent up to now is 299.5 secs Computing kpt #: 272 total cpu time spent up to now is 300.4 secs Computing kpt #: 273 total cpu time spent up to now is 301.4 secs Computing kpt #: 274 total cpu time spent up to now is 302.3 secs Computing kpt #: 275 total cpu time spent up to now is 303.3 secs Computing kpt #: 276 total cpu time spent up to now is 304.2 secs Computing kpt #: 277 total cpu time spent up to now is 305.2 secs Computing kpt #: 278 total cpu time spent up to now is 306.3 secs Computing kpt #: 279 total cpu time spent up to now is 307.4 secs Computing kpt #: 280 total cpu time spent up to now is 308.5 secs ethr = 1.52E-08, avg # of iterations = 26.8 total cpu time spent up to now is 308.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3753 PWs) bands (ev): -17.4798 -17.4798 -17.0978 -17.0978 -14.1127 -14.1127 -14.1122 -14.1122 -13.9747 -13.9747 -13.9732 -13.9732 -3.7371 -3.7371 -3.4100 -3.4100 -2.1976 -2.1976 -1.7165 -1.7165 -1.7134 -1.7134 -1.6064 -1.6064 -1.5999 -1.5999 -0.0711 -0.0711 1.7056 1.7056 1.7218 1.7218 2.5623 2.5623 2.5709 2.5709 2.5779 2.5779 2.6005 2.6005 2.6022 2.6022 3.6984 3.6984 3.8945 3.8945 3.9046 3.9046 4.0882 4.0882 4.0967 4.0967 4.1310 4.1310 4.2935 4.2935 4.4164 4.4164 4.4656 4.4656 4.8636 4.8636 4.8731 4.8731 5.7092 5.7092 5.7456 5.7456 9.2794 9.2794 9.9370 9.9370 10.2239 10.2239 14.3263 14.3263 14.6591 14.6591 16.0505 16.0505 k = 0.0125-0.0111-0.0073 ( 3753 PWs) bands (ev): -17.4796 -17.4796 -17.0979 -17.0979 -14.1128 -14.1128 -14.1123 -14.1123 -13.9749 -13.9749 -13.9734 -13.9734 -3.7362 -3.7362 -3.4096 -3.4096 -2.1967 -2.1967 -1.7167 -1.7167 -1.7134 -1.7134 -1.6061 -1.6061 -1.5996 -1.5996 -0.0723 -0.0723 1.7062 1.7062 1.7224 1.7224 2.5547 2.5547 2.5662 2.5662 2.5796 2.5796 2.5924 2.5924 2.6190 2.6190 3.6975 3.6975 3.8922 3.8922 3.9023 3.9023 4.0886 4.0886 4.0979 4.0979 4.1315 4.1315 4.2936 4.2936 4.4167 4.4167 4.4662 4.4662 4.8638 4.8638 4.8734 4.8734 5.7089 5.7089 5.7452 5.7452 9.2821 9.2821 9.9372 9.9372 10.2250 10.2250 14.3274 14.3274 14.6567 14.6567 16.0440 16.0440 k = 0.0250-0.0222-0.0146 ( 3750 PWs) bands (ev): -17.4788 -17.4788 -17.0980 -17.0980 -14.1131 -14.1131 -14.1123 -14.1123 -13.9756 -13.9756 -13.9740 -13.9740 -3.7335 -3.7335 -3.4083 -3.4083 -2.1941 -2.1941 -1.7180 -1.7180 -1.7129 -1.7129 -1.6054 -1.6054 -1.5984 -1.5984 -0.0758 -0.0758 1.7080 1.7080 1.7244 1.7244 2.5341 2.5341 2.5656 2.5656 2.5773 2.5773 2.5873 2.5873 2.6413 2.6413 3.6949 3.6949 3.8849 3.8849 3.8960 3.8960 4.0895 4.0895 4.1011 4.1011 4.1331 4.1331 4.2939 4.2939 4.4174 4.4174 4.4681 4.4681 4.8643 4.8643 4.8746 4.8746 5.7079 5.7079 5.7441 5.7441 9.2902 9.2902 9.9378 9.9378 10.2283 10.2283 14.3304 14.3304 14.6497 14.6497 16.0197 16.0197 k = 0.0375-0.0334-0.0219 ( 3745 PWs) bands (ev): -17.4775 -17.4775 -17.0982 -17.0982 -14.1137 -14.1137 -14.1124 -14.1124 -13.9770 -13.9770 -13.9748 -13.9748 -3.7291 -3.7291 -3.4062 -3.4062 -2.1897 -2.1897 -1.7207 -1.7207 -1.7112 -1.7112 -1.6046 -1.6046 -1.5960 -1.5960 -0.0817 -0.0817 1.7107 1.7107 1.7280 1.7280 2.5108 2.5108 2.5642 2.5642 2.5698 2.5698 2.5853 2.5853 2.6653 2.6653 3.6904 3.6904 3.8725 3.8725 3.8870 3.8870 4.0908 4.0908 4.1059 4.1059 4.1358 4.1358 4.2944 4.2944 4.4185 4.4185 4.4712 4.4712 4.8648 4.8648 4.8771 4.8771 5.7062 5.7062 5.7424 5.7424 9.3036 9.3036 9.9387 9.9387 10.2338 10.2338 14.3347 14.3347 14.6386 14.6386 15.9728 15.9728 k = 0.0500-0.0445-0.0291 ( 3742 PWs) bands (ev): -17.4757 -17.4757 -17.0984 -17.0984 -14.1146 -14.1146 -14.1124 -14.1124 -13.9789 -13.9789 -13.9758 -13.9758 -3.7229 -3.7229 -3.4032 -3.4032 -2.1837 -2.1837 -1.7247 -1.7247 -1.7085 -1.7085 -1.6041 -1.6041 -1.5921 -1.5921 -0.0897 -0.0897 1.7136 1.7136 1.7336 1.7336 2.4867 2.4867 2.5517 2.5517 2.5675 2.5675 2.5852 2.5852 2.6899 2.6899 3.6842 3.6842 3.8558 3.8558 3.8758 3.8758 4.0923 4.0923 4.1115 4.1115 4.1395 4.1395 4.2949 4.2949 4.4197 4.4197 4.4754 4.4754 4.8651 4.8651 4.8809 4.8809 5.7037 5.7037 5.7401 5.7401 9.3222 9.3222 9.9401 9.9401 10.2413 10.2413 14.3394 14.3394 14.6248 14.6248 15.9088 15.9088 k = 0.0625-0.0556-0.0364 ( 3742 PWs) bands (ev): -17.4734 -17.4734 -17.0987 -17.0987 -14.1157 -14.1157 -14.1124 -14.1124 -13.9815 -13.9815 -13.9770 -13.9770 -3.7151 -3.7151 -3.3993 -3.3993 -2.1760 -2.1760 -1.7298 -1.7298 -1.7051 -1.7051 -1.6037 -1.6037 -1.5869 -1.5869 -0.0999 -0.0999 1.7166 1.7166 1.7413 1.7413 2.4622 2.4622 2.5322 2.5322 2.5669 2.5669 2.5862 2.5862 2.7150 2.7150 3.6763 3.6763 3.8358 3.8358 3.8629 3.8629 4.0940 4.0940 4.1172 4.1172 4.1441 4.1441 4.2954 4.2954 4.4210 4.4210 4.4803 4.4803 4.8653 4.8653 4.8864 4.8864 5.7003 5.7003 5.7376 5.7376 9.3459 9.3459 9.9419 9.9419 10.2510 10.2510 14.3425 14.3425 14.6102 14.6102 15.8350 15.8350 k = 0.0750-0.0667-0.0437 ( 3745 PWs) bands (ev): -17.4707 -17.4707 -17.0992 -17.0992 -14.1171 -14.1171 -14.1124 -14.1124 -13.9846 -13.9846 -13.9785 -13.9785 -3.7056 -3.7056 -3.3947 -3.3947 -2.1667 -2.1667 -1.7358 -1.7358 -1.7009 -1.7009 -1.6035 -1.6035 -1.5805 -1.5805 -0.1120 -0.1120 1.7195 1.7195 1.7508 1.7508 2.4373 2.4373 2.5082 2.5082 2.5657 2.5657 2.5883 2.5883 2.7403 2.7403 3.6667 3.6667 3.8136 3.8136 3.8484 3.8484 4.0957 4.0957 4.1228 4.1228 4.1496 4.1496 4.2956 4.2956 4.4221 4.4221 4.4856 4.4856 4.8655 4.8655 4.8933 4.8933 5.6959 5.6959 5.7348 5.7348 9.3745 9.3745 9.9441 9.9441 10.2626 10.2626 14.3414 14.3414 14.5978 14.5978 15.7560 15.7560 k = 0.0875-0.0778-0.0510 ( 3745 PWs) bands (ev): -17.4674 -17.4674 -17.0997 -17.0997 -14.1187 -14.1187 -14.1125 -14.1125 -13.9882 -13.9882 -13.9802 -13.9802 -3.6944 -3.6944 -3.3891 -3.3891 -2.1558 -2.1558 -1.7426 -1.7426 -1.6960 -1.6960 -1.6034 -1.6034 -1.5730 -1.5730 -0.1260 -0.1260 1.7225 1.7225 1.7619 1.7619 2.4120 2.4120 2.4800 2.4800 2.5634 2.5634 2.5917 2.5917 2.7659 2.7659 3.6555 3.6555 3.7897 3.7897 3.8327 3.8327 4.0973 4.0973 4.1283 4.1283 4.1556 4.1556 4.2956 4.2956 4.4229 4.4229 4.4912 4.4912 4.8659 4.8659 4.9018 4.9018 5.6905 5.6905 5.7320 5.7320 9.4077 9.4077 9.9468 9.9468 10.2760 10.2760 14.3325 14.3325 14.5912 14.5912 15.6745 15.6745 k = 0.1000-0.0890-0.0583 ( 3746 PWs) bands (ev): -17.4636 -17.4636 -17.1002 -17.1002 -14.1205 -14.1205 -14.1125 -14.1125 -13.9924 -13.9924 -13.9821 -13.9821 -3.6817 -3.6817 -3.3828 -3.3828 -2.1434 -2.1434 -1.7501 -1.7501 -1.6905 -1.6905 -1.6032 -1.6032 -1.5645 -1.5645 -0.1416 -0.1416 1.7254 1.7254 1.7743 1.7743 2.3865 2.3865 2.4480 2.4480 2.5601 2.5601 2.5962 2.5962 2.7915 2.7915 3.6427 3.6427 3.7648 3.7648 3.8164 3.8164 4.0988 4.0988 4.1335 4.1335 4.1620 4.1620 4.2952 4.2952 4.4233 4.4233 4.4965 4.4965 4.8667 4.8667 4.9116 4.9116 5.6841 5.6841 5.7293 5.7293 9.4455 9.4455 9.9500 9.9500 10.2913 10.2913 14.3131 14.3131 14.5932 14.5932 15.5921 15.5921 k = 0.1125-0.1001-0.0656 ( 3744 PWs) bands (ev): -17.4594 -17.4594 -17.1009 -17.1009 -14.1225 -14.1225 -14.1125 -14.1125 -13.9971 -13.9971 -13.9842 -13.9842 -3.6675 -3.6675 -3.3755 -3.3755 -2.1296 -2.1296 -1.7580 -1.7580 -1.6843 -1.6843 -1.6032 -1.6032 -1.5550 -1.5550 -0.1588 -0.1588 1.7283 1.7283 1.7877 1.7877 2.3606 2.3606 2.4123 2.4123 2.5559 2.5559 2.6016 2.6016 2.8170 2.8170 3.6284 3.6284 3.7394 3.7394 3.7996 3.7996 4.1002 4.1002 4.1387 4.1387 4.1687 4.1687 4.2945 4.2945 4.4233 4.4233 4.5014 4.5014 4.8682 4.8682 4.9228 4.9228 5.6767 5.6767 5.7266 5.7266 9.4874 9.4874 9.9537 9.9537 10.3081 10.3081 14.2824 14.2824 14.6049 14.6049 15.5100 15.5100 k = 0.1250-0.1112-0.0729 ( 3748 PWs) bands (ev): -17.4547 -17.4547 -17.1017 -17.1017 -14.1247 -14.1247 -14.1125 -14.1125 -14.0022 -14.0022 -13.9865 -13.9865 -3.6519 -3.6519 -3.3675 -3.3675 -2.1145 -2.1145 -1.7662 -1.7662 -1.6776 -1.6776 -1.6031 -1.6031 -1.5447 -1.5447 -0.1773 -0.1773 1.7311 1.7311 1.8018 1.8018 2.3341 2.3341 2.3734 2.3734 2.5509 2.5509 2.6080 2.6080 2.8422 2.8422 3.6125 3.6125 3.7138 3.7138 3.7827 3.7827 4.1013 4.1013 4.1440 4.1440 4.1756 4.1756 4.2934 4.2934 4.4229 4.4229 4.5055 4.5055 4.8705 4.8705 4.9353 4.9353 5.6685 5.6685 5.7241 5.7241 9.5332 9.5332 9.9581 9.9581 10.3265 10.3265 14.2418 14.2418 14.6250 14.6250 15.4288 15.4288 k = 0.1375-0.1223-0.0801 ( 3754 PWs) bands (ev): -17.4496 -17.4496 -17.1026 -17.1026 -14.1272 -14.1272 -14.1125 -14.1125 -14.0078 -14.0078 -13.9890 -13.9890 -3.6349 -3.6349 -3.3586 -3.3586 -2.0982 -2.0982 -1.7745 -1.7745 -1.6704 -1.6704 -1.6031 -1.6031 -1.5336 -1.5336 -0.1971 -0.1971 1.7338 1.7338 1.8164 1.8164 2.3066 2.3066 2.3322 2.3322 2.5452 2.5452 2.6152 2.6152 2.8668 2.8668 3.5950 3.5950 3.6885 3.6885 3.7662 3.7662 4.1022 4.1022 4.1493 4.1493 4.1826 4.1826 4.2920 4.2920 4.4220 4.4220 4.5085 4.5085 4.8738 4.8738 4.9488 4.9488 5.6595 5.6595 5.7215 5.7215 9.5827 9.5827 9.9631 9.9631 10.3461 10.3461 14.1932 14.1932 14.6518 14.6518 15.3490 15.3490 k = 0.1500-0.1334-0.0874 ( 3757 PWs) bands (ev): -17.4441 -17.4441 -17.1036 -17.1036 -14.1298 -14.1298 -14.1125 -14.1125 -14.0137 -14.0137 -13.9917 -13.9917 -3.6167 -3.6167 -3.3490 -3.3490 -2.0810 -2.0810 -1.7827 -1.7827 -1.6627 -1.6627 -1.6032 -1.6032 -1.5217 -1.5217 -0.2178 -0.2178 1.7361 1.7361 1.8311 1.8311 2.2750 2.2750 2.2920 2.2920 2.5390 2.5390 2.6232 2.6232 2.8905 2.8905 3.5758 3.5758 3.6637 3.6637 3.7501 3.7501 4.1028 4.1028 4.1548 4.1548 4.1898 4.1898 4.2903 4.2903 4.4208 4.4208 4.5102 4.5102 4.8782 4.8782 4.9634 4.9634 5.6500 5.6500 5.7190 5.7190 9.6355 9.6355 9.9687 9.9687 10.3670 10.3670 14.1380 14.1380 14.6837 14.6837 15.2711 15.2711 k = 0.1625-0.1445-0.0947 ( 3761 PWs) bands (ev): -17.4382 -17.4382 -17.1047 -17.1047 -14.1325 -14.1325 -14.1124 -14.1124 -14.0200 -14.0200 -13.9946 -13.9946 -3.5974 -3.5974 -3.3386 -3.3386 -2.0630 -2.0630 -1.7904 -1.7904 -1.6546 -1.6546 -1.6033 -1.6033 -1.5092 -1.5092 -0.2395 -0.2395 1.7380 1.7380 1.8456 1.8456 2.2326 2.2326 2.2599 2.2599 2.5323 2.5323 2.6320 2.6320 2.9130 2.9130 3.5548 3.5548 3.6399 3.6399 3.7350 3.7350 4.1031 4.1031 4.1604 4.1604 4.1970 4.1970 4.2885 4.2885 4.4195 4.4195 4.5106 4.5106 4.8839 4.8839 4.9788 4.9788 5.6401 5.6401 5.7164 5.7164 9.6913 9.6913 9.9751 9.9751 10.3888 10.3888 14.0776 14.0776 14.7194 14.7194 15.1953 15.1953 k = 0.1750-0.1557-0.1020 ( 3759 PWs) bands (ev): -17.4319 -17.4319 -17.1060 -17.1060 -14.1354 -14.1354 -14.1124 -14.1124 -14.0266 -14.0266 -13.9977 -13.9977 -3.5770 -3.5770 -3.3275 -3.3275 -2.0445 -2.0445 -1.7971 -1.7971 -1.6462 -1.6462 -1.6035 -1.6035 -1.4962 -1.4962 -0.2619 -0.2619 1.7394 1.7394 1.8598 1.8598 2.1840 2.1840 2.2318 2.2318 2.5253 2.5253 2.6415 2.6415 2.9340 2.9340 3.5320 3.5320 3.6172 3.6172 3.7208 3.7208 4.1030 4.1030 4.1664 4.1664 4.2043 4.2043 4.2865 4.2865 4.4180 4.4180 4.5096 4.5096 4.8909 4.8909 4.9949 4.9949 5.6298 5.6298 5.7139 5.7139 9.7498 9.7498 9.9822 9.9822 10.4115 10.4115 14.0129 14.0129 14.7580 14.7580 15.1221 15.1221 k = 0.1875-0.1668-0.1093 ( 3763 PWs) bands (ev): -17.4252 -17.4252 -17.1074 -17.1074 -14.1385 -14.1385 -14.1123 -14.1123 -14.0335 -14.0335 -14.0009 -14.0009 -3.5556 -3.5556 -3.3156 -3.3156 -2.0261 -2.0261 -1.8026 -1.8026 -1.6376 -1.6376 -1.6037 -1.6037 -1.4827 -1.4827 -0.2849 -0.2849 1.7401 1.7401 1.8732 1.8732 2.1330 2.1330 2.2045 2.2045 2.5183 2.5183 2.6517 2.6517 2.9531 2.9531 3.5075 3.5075 3.5958 3.5958 3.7080 3.7080 4.1027 4.1027 4.1725 4.1725 4.2115 4.2115 4.2847 4.2847 4.4166 4.4166 4.5074 4.5074 4.8991 4.8991 5.0116 5.0116 5.6193 5.6193 5.7112 5.7112 9.8106 9.8106 9.9901 9.9901 10.4349 10.4349 13.9444 13.9444 14.7988 14.7988 15.0516 15.0516 k = 0.2000-0.1779-0.1166 ( 3767 PWs) bands (ev): -17.4182 -17.4182 -17.1089 -17.1089 -14.1416 -14.1416 -14.1121 -14.1121 -14.0407 -14.0407 -14.0042 -14.0042 -3.5334 -3.5334 -3.3032 -3.3032 -2.0084 -2.0084 -1.8059 -1.8059 -1.6289 -1.6289 -1.6038 -1.6038 -1.4687 -1.4687 -0.3085 -0.3085 1.7398 1.7398 1.8855 1.8855 2.0808 2.0808 2.1774 2.1774 2.5113 2.5113 2.6625 2.6625 2.9700 2.9700 3.4815 3.4815 3.5756 3.5756 3.6965 3.6965 4.1019 4.1019 4.1789 4.1789 4.2185 4.2185 4.2832 4.2832 4.4152 4.4152 4.5040 4.5040 4.9086 4.9086 5.0287 5.0287 5.6086 5.6086 5.7085 5.7085 9.8735 9.8735 9.9989 9.9989 10.4588 10.4588 13.8728 13.8728 14.8408 14.8408 14.9846 14.9846 k = 0.2125-0.1890-0.1239 ( 3764 PWs) bands (ev): -17.4109 -17.4109 -17.1106 -17.1106 -14.1448 -14.1448 -14.1120 -14.1120 -14.0480 -14.0480 -14.0076 -14.0076 -3.5105 -3.5105 -3.2902 -3.2902 -1.9920 -1.9920 -1.8064 -1.8064 -1.6207 -1.6207 -1.6035 -1.6035 -1.4545 -1.4545 -0.3325 -0.3325 1.7385 1.7385 1.8960 1.8960 2.0285 2.0285 2.1505 2.1505 2.5047 2.5047 2.6739 2.6739 2.9845 2.9845 3.4543 3.4543 3.5565 3.5565 3.6865 3.6865 4.1009 4.1009 4.1854 4.1854 4.2250 4.2250 4.2824 4.2824 4.4141 4.4141 4.4998 4.4998 4.9194 4.9194 5.0461 5.0461 5.5979 5.5979 5.7056 5.7056 9.9380 9.9380 10.0085 10.0085 10.4831 10.4831 13.7985 13.7985 14.8794 14.8794 14.9255 14.9255 k = 0.2250-0.2001-0.1311 ( 3764 PWs) bands (ev): -17.4032 -17.4032 -17.1125 -17.1125 -14.1481 -14.1481 -14.1118 -14.1118 -14.0555 -14.0555 -14.0111 -14.0111 -3.4871 -3.4871 -3.2766 -3.2766 -1.9779 -1.9779 -1.8030 -1.8030 -1.6145 -1.6145 -1.6013 -1.6013 -1.4401 -1.4401 -0.3569 -0.3569 1.7359 1.7359 1.9018 1.9018 1.9791 1.9791 2.1239 2.1239 2.4987 2.4987 2.6856 2.6856 2.9964 2.9964 3.4262 3.4262 3.5385 3.5385 3.6779 3.6779 4.0996 4.0996 4.1921 4.1921 4.2307 4.2307 4.2826 4.2826 4.4131 4.4131 4.4952 4.4952 4.9314 4.9314 5.0637 5.0637 5.5871 5.5871 5.7025 5.7025 10.0035 10.0035 10.0191 10.0191 10.5077 10.5077 13.7218 13.7218 14.8525 14.8525 14.9361 14.9361 k = 0.2375-0.2113-0.1384 ( 3761 PWs) bands (ev): -17.3953 -17.3953 -17.1145 -17.1145 -14.1515 -14.1515 -14.1115 -14.1115 -14.0631 -14.0631 -14.0147 -14.0147 -3.4632 -3.4632 -3.2627 -3.2627 -1.9669 -1.9669 -1.7950 -1.7950 -1.6124 -1.6124 -1.5951 -1.5951 -1.4255 -1.4255 -0.3816 -0.3816 1.7318 1.7318 1.8898 1.8898 1.9464 1.9464 2.0978 2.0978 2.4934 2.4934 2.6976 2.6976 3.0056 3.0056 3.3974 3.3974 3.5215 3.5215 3.6707 3.6707 4.0981 4.0981 4.1988 4.1988 4.2351 4.2351 4.2842 4.2842 4.4122 4.4122 4.4907 4.4907 4.9446 4.9446 5.0812 5.0812 5.5765 5.5765 5.6993 5.6993 10.0303 10.0303 10.0702 10.0702 10.5327 10.5327 13.6429 13.6429 14.7966 14.7966 14.9797 14.9797 k = 0.2500-0.2224-0.1457 ( 3761 PWs) bands (ev): -17.3872 -17.3872 -17.1167 -17.1167 -14.1548 -14.1548 -14.1113 -14.1113 -14.0707 -14.0707 -14.0184 -14.0184 -3.4389 -3.4389 -3.2484 -3.2484 -1.9593 -1.9593 -1.7820 -1.7820 -1.6131 -1.6131 -1.5864 -1.5864 -1.4109 -1.4109 -0.4066 -0.4066 1.7258 1.7258 1.8484 1.8484 1.9420 1.9420 2.0722 2.0722 2.4893 2.4893 2.7097 2.7097 3.0120 3.0120 3.3681 3.3681 3.5053 3.5053 3.6647 3.6647 4.0965 4.0965 4.2054 4.2054 4.2381 4.2381 4.2872 4.2872 4.4112 4.4112 4.4869 4.4869 4.9589 4.9589 5.0987 5.0987 5.5659 5.5659 5.6958 5.6958 10.0427 10.0427 10.1368 10.1368 10.5581 10.5581 13.5622 13.5622 14.7429 14.7429 15.0250 15.0250 k = 0.2625-0.2335-0.1530 ( 3767 PWs) bands (ev): -17.3788 -17.3788 -17.1192 -17.1192 -14.1582 -14.1582 -14.1110 -14.1110 -14.0784 -14.0784 -14.0221 -14.0221 -3.4145 -3.4145 -3.2338 -3.2338 -1.9546 -1.9546 -1.7643 -1.7643 -1.6151 -1.6151 -1.5768 -1.5768 -1.3963 -1.3963 -0.4319 -0.4319 1.7179 1.7179 1.7980 1.7980 1.9462 1.9462 2.0476 2.0476 2.4863 2.4863 2.7217 2.7217 3.0159 3.0159 3.3387 3.3387 3.4901 3.4901 3.6596 3.6596 4.0948 4.0948 4.2118 4.2118 4.2396 4.2396 4.2915 4.2915 4.4099 4.4099 4.4843 4.4843 4.9743 4.9743 5.1159 5.1159 5.5554 5.5554 5.6920 5.6920 10.0560 10.0560 10.2028 10.2028 10.5844 10.5844 13.4800 13.4800 14.6928 14.6928 15.0705 15.0705 k = 0.2750-0.2446-0.1603 ( 3772 PWs) bands (ev): -17.3703 -17.3703 -17.1218 -17.1218 -14.1615 -14.1615 -14.1107 -14.1107 -14.0859 -14.0859 -14.0259 -14.0259 -3.3901 -3.3901 -3.2192 -3.2192 -1.9522 -1.9522 -1.7428 -1.7428 -1.6179 -1.6179 -1.5669 -1.5669 -1.3818 -1.3818 -0.4574 -0.4574 1.7075 1.7075 1.7467 1.7467 1.9511 1.9511 2.0241 2.0241 2.4847 2.4847 2.7335 2.7335 3.0174 3.0174 3.3092 3.3092 3.4759 3.4759 3.6552 3.6552 4.0931 4.0931 4.2176 4.2176 4.2402 4.2402 4.2964 4.2964 4.4081 4.4081 4.4837 4.4837 4.9907 4.9907 5.1329 5.1329 5.5451 5.5451 5.6879 5.6879 10.0703 10.0703 10.2672 10.2672 10.6120 10.6120 13.3963 13.3963 14.6467 14.6467 15.1156 15.1156 k = 0.2875-0.2557-0.1676 ( 3770 PWs) bands (ev): -17.3616 -17.3616 -17.1247 -17.1247 -14.1648 -14.1648 -14.1105 -14.1105 -14.0933 -14.0933 -14.0296 -14.0296 -3.3658 -3.3658 -3.2045 -3.2045 -1.9511 -1.9511 -1.7183 -1.7183 -1.6214 -1.6214 -1.5568 -1.5568 -1.3675 -1.3675 -0.4833 -0.4833 1.6918 1.6918 1.6992 1.6992 1.9555 1.9555 2.0021 2.0021 2.4847 2.4847 2.7447 2.7447 3.0168 3.0168 3.2800 3.2800 3.4627 3.4627 3.6511 3.6511 4.0917 4.0917 4.2224 4.2224 4.2406 4.2406 4.3014 4.3014 4.4060 4.4060 4.4851 4.4851 5.0083 5.0083 5.1495 5.1495 5.5349 5.5349 5.6834 5.6834 10.0855 10.0855 10.3285 10.3285 10.6421 10.6421 13.3115 13.3115 14.6048 14.6048 15.1600 15.1600 k = 0.3000-0.2669-0.1749 ( 3771 PWs) bands (ev): -17.3527 -17.3527 -17.1277 -17.1277 -14.1679 -14.1679 -14.1107 -14.1107 -14.1001 -14.1001 -14.0334 -14.0334 -3.3417 -3.3417 -3.1900 -3.1900 -1.9505 -1.9505 -1.6916 -1.6916 -1.6258 -1.6258 -1.5465 -1.5465 -1.3532 -1.3532 -0.5094 -0.5094 1.6462 1.6462 1.6806 1.6806 1.9587 1.9587 1.9820 1.9820 2.4862 2.4862 2.7551 2.7551 3.0143 3.0143 3.2512 3.2512 3.4507 3.4507 3.6471 3.6471 4.0905 4.0905 4.2253 4.2253 4.2418 4.2418 4.3058 4.3058 4.4040 4.4040 4.4886 4.4886 5.0270 5.0270 5.1657 5.1657 5.5251 5.5251 5.6784 5.6784 10.1017 10.1017 10.3848 10.3848 10.6763 10.6763 13.2258 13.2258 14.5674 14.5674 15.2031 15.2031 k = 0.3125-0.2780-0.1821 ( 3775 PWs) bands (ev): -17.3437 -17.3437 -17.1311 -17.1311 -14.1710 -14.1710 -14.1128 -14.1128 -14.1048 -14.1048 -14.0372 -14.0372 -3.3180 -3.3180 -3.1758 -3.1758 -1.9499 -1.9499 -1.6635 -1.6635 -1.6310 -1.6310 -1.5361 -1.5361 -1.3392 -1.3392 -0.5360 -0.5360 1.5995 1.5995 1.6628 1.6628 1.9596 1.9596 1.9651 1.9651 2.4895 2.4895 2.7644 2.7644 3.0103 3.0103 3.2230 3.2230 3.4400 3.4400 3.6428 3.6428 4.0897 4.0897 4.2258 4.2258 4.2444 4.2444 4.3091 4.3091 4.4027 4.4027 4.4939 4.4939 5.0467 5.0467 5.1813 5.1813 5.5154 5.5154 5.6728 5.6728 10.1188 10.1188 10.4338 10.4338 10.7165 10.7165 13.1392 13.1392 14.5346 14.5346 15.2438 15.2438 k = 0.3250-0.2891-0.1894 ( 3773 PWs) bands (ev): -17.3347 -17.3347 -17.1346 -17.1346 -14.1739 -14.1739 -14.1181 -14.1181 -14.1060 -14.1060 -14.0409 -14.0409 -3.2948 -3.2948 -3.1620 -3.1620 -1.9488 -1.9488 -1.6374 -1.6374 -1.6342 -1.6342 -1.5256 -1.5256 -1.3252 -1.3252 -0.5630 -0.5630 1.5552 1.5552 1.6426 1.6426 1.9470 1.9470 1.9626 1.9626 2.4943 2.4943 2.7725 2.7725 3.0052 3.0052 3.1956 3.1956 3.4308 3.4308 3.6381 3.6381 4.0893 4.0893 4.2242 4.2242 4.2480 4.2480 4.3110 4.3110 4.4028 4.4028 4.5003 4.5003 5.0677 5.0677 5.1965 5.1965 5.5060 5.5060 5.6666 5.6666 10.1369 10.1369 10.4739 10.4739 10.7641 10.7641 13.0519 13.0519 14.5065 14.5065 15.2775 15.2775 k = 0.3375-0.3002-0.1967 ( 3767 PWs) bands (ev): -17.3255 -17.3255 -17.1385 -17.1385 -14.1767 -14.1767 -14.1246 -14.1246 -14.1057 -14.1057 -14.0446 -14.0446 -3.2722 -3.2722 -3.1487 -3.1487 -1.9470 -1.9470 -1.6444 -1.6444 -1.6049 -1.6049 -1.5150 -1.5150 -1.3112 -1.3112 -0.5905 -0.5905 1.5139 1.5139 1.6203 1.6203 1.9333 1.9333 1.9624 1.9624 2.5008 2.5008 2.7789 2.7789 2.9994 2.9994 3.1691 3.1691 3.4232 3.4232 3.6326 3.6326 4.0894 4.0894 4.2213 4.2213 4.2519 4.2519 4.3114 4.3114 4.4046 4.4046 4.5074 4.5074 5.0896 5.0896 5.2111 5.2111 5.4970 5.4970 5.6597 5.6597 10.1558 10.1558 10.5044 10.5044 10.8196 10.8196 12.9642 12.9642 14.4832 14.4832 15.2778 15.2778 k = 0.3500-0.3113-0.2040 ( 3774 PWs) bands (ev): -17.3164 -17.3164 -17.1426 -17.1426 -14.1792 -14.1792 -14.1312 -14.1312 -14.1050 -14.1050 -14.0482 -14.0482 -3.2504 -3.2504 -3.1361 -3.1361 -1.9441 -1.9441 -1.6525 -1.6525 -1.5756 -1.5756 -1.5044 -1.5044 -1.2970 -1.2970 -0.6186 -0.6186 1.4758 1.4758 1.5961 1.5961 1.9215 1.9215 1.9611 1.9611 2.5089 2.5089 2.7834 2.7834 2.9930 2.9930 3.1437 3.1437 3.4175 3.4175 3.6264 3.6264 4.0900 4.0900 4.2174 4.2174 4.2555 4.2555 4.3103 4.3103 4.4083 4.4083 4.5145 4.5145 5.1125 5.1125 5.2250 5.2250 5.4882 5.4882 5.6520 5.6520 10.1755 10.1755 10.5262 10.5262 10.8818 10.8818 12.8761 12.8761 14.4649 14.4649 15.2306 15.2306 k = 0.3625-0.3225-0.2113 ( 3769 PWs) bands (ev): -17.3072 -17.3072 -17.1469 -17.1469 -14.1815 -14.1815 -14.1377 -14.1377 -14.1041 -14.1041 -14.0518 -14.0518 -3.2295 -3.2295 -3.1244 -3.1244 -1.9401 -1.9401 -1.6617 -1.6617 -1.5469 -1.5469 -1.4937 -1.4937 -1.2823 -1.2823 -0.6473 -0.6473 1.4412 1.4412 1.5706 1.5706 1.9118 1.9118 1.9589 1.9589 2.5185 2.5185 2.7859 2.7859 2.9864 2.9864 3.1196 3.1196 3.4137 3.4137 3.6192 3.6192 4.0912 4.0912 4.2127 4.2127 4.2589 4.2589 4.3083 4.3083 4.4139 4.4139 4.5212 4.5212 5.1363 5.1363 5.2384 5.2384 5.4799 5.4799 5.6435 5.6435 10.1960 10.1960 10.5405 10.5405 10.9494 10.9494 12.7878 12.7878 14.4516 14.4516 15.1725 15.1725 k = 0.3750-0.3336-0.2186 ( 3768 PWs) bands (ev): -17.2981 -17.2981 -17.1515 -17.1515 -14.1836 -14.1836 -14.1439 -14.1439 -14.1030 -14.1030 -14.0554 -14.0554 -3.2096 -3.2096 -3.1137 -3.1137 -1.9348 -1.9348 -1.6720 -1.6720 -1.5194 -1.5194 -1.4832 -1.4832 -1.2668 -1.2668 -0.6766 -0.6766 1.4104 1.4104 1.5441 1.5441 1.9039 1.9039 1.9558 1.9558 2.5294 2.5294 2.7862 2.7862 2.9799 2.9799 3.0969 3.0969 3.4119 3.4119 3.6111 3.6111 4.0930 4.0930 4.2073 4.2073 4.2619 4.2619 4.3057 4.3057 4.4209 4.4209 4.5272 4.5272 5.1608 5.1608 5.2511 5.2511 5.4720 5.4720 5.6340 5.6340 10.2173 10.2173 10.5489 10.5489 11.0210 11.0210 12.6993 12.6993 14.4432 14.4432 15.1132 15.1132 k = 0.3875-0.3447-0.2259 ( 3771 PWs) bands (ev): -17.2890 -17.2890 -17.1565 -17.1565 -14.1854 -14.1854 -14.1498 -14.1498 -14.1018 -14.1018 -14.0588 -14.0588 -3.1907 -3.1907 -3.1041 -3.1041 -1.9281 -1.9281 -1.6832 -1.6832 -1.4939 -1.4939 -1.4727 -1.4727 -1.2500 -1.2500 -0.7068 -0.7068 1.3835 1.3835 1.5172 1.5172 1.8978 1.8978 1.9518 1.9518 2.5416 2.5416 2.7843 2.7843 2.9737 2.9737 3.0757 3.0757 3.4122 3.4122 3.6020 3.6020 4.0953 4.0953 4.2013 4.2013 4.2647 4.2647 4.3027 4.3027 4.4291 4.4291 4.5320 4.5320 5.1856 5.1856 5.2633 5.2633 5.4647 5.4647 5.6235 5.6235 10.2391 10.2391 10.5521 10.5521 11.0954 11.0954 12.6109 12.6109 14.4398 14.4398 15.0546 15.0546 k = 0.4000-0.3558-0.2331 ( 3769 PWs) bands (ev): -17.2800 -17.2800 -17.1616 -17.1616 -14.1868 -14.1868 -14.1553 -14.1553 -14.1004 -14.1004 -14.0622 -14.0622 -3.1731 -3.1731 -3.0957 -3.0957 -1.9201 -1.9201 -1.6954 -1.6954 -1.4710 -1.4710 -1.4623 -1.4623 -1.2315 -1.2315 -0.7376 -0.7376 1.3607 1.3607 1.4903 1.4903 1.8933 1.8933 1.9472 1.9472 2.5550 2.5550 2.7800 2.7800 2.9681 2.9681 3.0560 3.0560 3.4146 3.4146 3.5920 3.5920 4.0982 4.0982 4.1948 4.1948 4.2671 4.2671 4.2998 4.2998 4.4381 4.4381 4.5356 4.5356 5.2103 5.2103 5.2749 5.2749 5.4581 5.4581 5.6119 5.6119 10.2615 10.2615 10.5512 10.5512 11.1721 11.1721 12.5225 12.5225 14.4414 14.4414 14.9972 14.9972 k = 0.4125-0.3669-0.2404 ( 3759 PWs) bands (ev): -17.2711 -17.2711 -17.1671 -17.1671 -14.1880 -14.1880 -14.1605 -14.1605 -14.0990 -14.0990 -14.0654 -14.0654 -3.1567 -3.1567 -3.0887 -3.0887 -1.9108 -1.9108 -1.7085 -1.7085 -1.4537 -1.4537 -1.4497 -1.4497 -1.2107 -1.2107 -0.7692 -0.7692 1.3420 1.3420 1.4639 1.4639 1.8903 1.8903 1.9421 1.9421 2.5693 2.5693 2.7736 2.7736 2.9632 2.9632 3.0381 3.0381 3.4190 3.4190 3.5812 3.5812 4.1017 4.1017 4.1880 4.1880 4.2694 4.2694 4.2970 4.2970 4.4477 4.4477 4.5378 4.5378 5.2344 5.2344 5.2859 5.2859 5.4525 5.4525 5.5991 5.5991 10.2844 10.2844 10.5466 10.5466 11.2504 11.2504 12.4343 12.4343 14.4477 14.4477 14.9414 14.9414 k = 0.4250-0.3780-0.2477 ( 3762 PWs) bands (ev): -17.2623 -17.2623 -17.1729 -17.1729 -14.1888 -14.1888 -14.1653 -14.1653 -14.0974 -14.0974 -14.0686 -14.0686 -3.1416 -3.1416 -3.0831 -3.0831 -1.9002 -1.9002 -1.7225 -1.7225 -1.4435 -1.4435 -1.4340 -1.4340 -1.1874 -1.1874 -0.8015 -0.8015 1.3276 1.3276 1.4385 1.4385 1.8887 1.8887 1.9365 1.9365 2.5844 2.5844 2.7651 2.7651 2.9591 2.9591 3.0218 3.0218 3.4253 3.4253 3.5695 3.5695 4.1056 4.1056 4.1808 4.1808 4.2714 4.2714 4.2943 4.2943 4.4577 4.4577 4.5385 4.5385 5.2573 5.2573 5.2964 5.2964 5.4482 5.4482 5.5853 5.5853 10.3075 10.3075 10.5387 10.5387 11.3300 11.3300 12.3463 12.3463 14.4588 14.4588 14.8874 14.8874 k = 0.4375-0.3892-0.2550 ( 3765 PWs) bands (ev): -17.2537 -17.2537 -17.1789 -17.1789 -14.1892 -14.1892 -14.1697 -14.1697 -14.0957 -14.0957 -14.0717 -14.0717 -3.1280 -3.1280 -3.0791 -3.0791 -1.8884 -1.8884 -1.7371 -1.7371 -1.4345 -1.4345 -1.4213 -1.4213 -1.1615 -1.1615 -0.8344 -0.8344 1.3174 1.3174 1.4143 1.4143 1.8884 1.8884 1.9306 1.9306 2.6002 2.6002 2.7547 2.7547 2.9561 2.9561 3.0074 3.0074 3.4332 3.4332 3.5572 3.5572 4.1100 4.1100 4.1736 4.1736 4.2732 4.2732 4.2919 4.2919 4.4677 4.4677 4.5377 4.5377 5.2779 5.2779 5.3063 5.3063 5.4459 5.4459 5.5705 5.5705 10.3307 10.3307 10.5280 10.5280 11.4108 11.4108 12.2587 12.2587 14.4744 14.4744 14.8354 14.8354 k = 0.4500-0.4003-0.2623 ( 3768 PWs) bands (ev): -17.2452 -17.2452 -17.1853 -17.1853 -14.1892 -14.1892 -14.1736 -14.1736 -14.0938 -14.0938 -14.0746 -14.0746 -3.1159 -3.1159 -3.0766 -3.0766 -1.8755 -1.8755 -1.7524 -1.7524 -1.4263 -1.4263 -1.4121 -1.4121 -1.1333 -1.1333 -0.8679 -0.8679 1.3113 1.3113 1.3919 1.3919 1.8892 1.8892 1.9246 1.9246 2.6165 2.6165 2.7427 2.7427 2.9543 2.9543 2.9946 2.9946 3.4427 3.4427 3.5443 3.5443 4.1148 4.1148 4.1663 4.1663 4.2750 4.2750 4.2896 4.2896 4.4777 4.4777 4.5354 4.5354 5.2953 5.2953 5.3157 5.3157 5.4464 5.4464 5.5546 5.5546 10.3540 10.3540 10.5148 10.5148 11.4925 11.4925 12.1714 12.1714 14.4943 14.4943 14.7857 14.7857 k = 0.4625-0.4114-0.2696 ( 3771 PWs) bands (ev): -17.2369 -17.2369 -17.1919 -17.1919 -14.1888 -14.1888 -14.1771 -14.1771 -14.0919 -14.0919 -14.0774 -14.0774 -3.1053 -3.1053 -3.0757 -3.0757 -1.8617 -1.8617 -1.7681 -1.7681 -1.4189 -1.4189 -1.4062 -1.4062 -1.1031 -1.1031 -0.9019 -0.9019 1.3093 1.3093 1.3715 1.3715 1.8911 1.8911 1.9186 1.9186 2.6332 2.6332 2.7293 2.7293 2.9539 2.9539 2.9837 2.9837 3.4534 3.4534 3.5311 3.5311 4.1201 4.1201 4.1590 4.1590 4.2767 4.2767 4.2875 4.2875 4.4875 4.4875 4.5318 4.5318 5.3088 5.3088 5.3237 5.3237 5.4506 5.4506 5.5379 5.5379 10.3770 10.3770 10.4994 10.4994 11.5751 11.5751 12.0846 12.0846 14.5184 14.5184 14.7385 14.7385 k = 0.4750-0.4225-0.2768 ( 3782 PWs) bands (ev): -17.2288 -17.2288 -17.1988 -17.1988 -14.1879 -14.1879 -14.1802 -14.1802 -14.0898 -14.0898 -14.0802 -14.0802 -3.0962 -3.0962 -3.0765 -3.0765 -1.8470 -1.8470 -1.7840 -1.7840 -1.4126 -1.4126 -1.4031 -1.4031 -1.0713 -1.0713 -0.9361 -0.9361 1.3112 1.3112 1.3535 1.3535 1.8940 1.8940 1.9128 1.9128 2.6499 2.6499 2.7148 2.7148 2.9548 2.9548 2.9745 2.9745 3.4651 3.4651 3.5176 3.5176 4.1257 4.1257 4.1519 4.1519 4.2783 4.2783 4.2855 4.2855 4.4968 4.4968 4.5268 4.5268 5.3187 5.3187 5.3292 5.3292 5.4590 5.4590 5.5206 5.5206 10.3997 10.3997 10.4822 10.4822 11.6584 11.6584 11.9982 11.9982 14.5465 14.5465 14.6939 14.6939 k = 0.4875-0.4336-0.2841 ( 3788 PWs) bands (ev): -17.2210 -17.2210 -17.2059 -17.2059 -14.1867 -14.1867 -14.1828 -14.1828 -14.0876 -14.0876 -14.0827 -14.0827 -3.0888 -3.0888 -3.0790 -3.0790 -1.8318 -1.8318 -1.8001 -1.8001 -1.4077 -1.4077 -1.4026 -1.4026 -1.0383 -1.0383 -0.9704 -0.9704 1.3167 1.3167 1.3381 1.3381 1.8977 1.8977 1.9072 1.9072 2.6667 2.6667 2.6993 2.6993 2.9573 2.9573 2.9671 2.9671 3.4775 3.4775 3.5040 3.5040 4.1318 4.1318 4.1449 4.1449 4.2800 4.2800 4.2836 4.2836 4.5055 4.5055 4.5207 4.5207 5.3256 5.3256 5.3313 5.3313 5.4713 5.4713 5.5032 5.5032 10.4218 10.4218 10.4633 10.4633 11.7424 11.7424 11.9123 11.9123 14.5782 14.5782 14.6522 14.6522 k = 0.5000-0.4448-0.2914 ( 3792 PWs) bands (ev): -17.2133 -17.2133 -17.2133 -17.2133 -14.1850 -14.1850 -14.1850 -14.1850 -14.0852 -14.0852 -14.0852 -14.0852 -3.0831 -3.0831 -3.0831 -3.0831 -1.8161 -1.8161 -1.8161 -1.8161 -1.4042 -1.4042 -1.4042 -1.4042 -1.0046 -1.0046 -1.0046 -1.0046 1.3258 1.3258 1.3258 1.3258 1.9021 1.9021 1.9022 1.9022 2.6832 2.6832 2.6833 2.6833 2.9612 2.9612 2.9614 2.9614 3.4904 3.4904 3.4908 3.4908 4.1378 4.1378 4.1386 4.1386 4.2814 4.2814 4.2822 4.2822 4.5132 4.5132 4.5139 4.5139 5.3296 5.3296 5.3303 5.3303 5.4862 5.4862 5.4867 5.4867 10.4431 10.4431 10.4431 10.4431 11.8270 11.8270 11.8271 11.8271 14.6136 14.6136 14.6136 14.6136 k = 0.5000-0.4448-0.2914 ( 3792 PWs) bands (ev): -17.2133 -17.2133 -17.2133 -17.2133 -14.1850 -14.1850 -14.1850 -14.1850 -14.0852 -14.0852 -14.0852 -14.0852 -3.0831 -3.0831 -3.0831 -3.0831 -1.8161 -1.8161 -1.8161 -1.8161 -1.4042 -1.4042 -1.4042 -1.4042 -1.0046 -1.0046 -1.0046 -1.0046 1.3258 1.3258 1.3258 1.3258 1.9021 1.9021 1.9022 1.9022 2.6832 2.6832 2.6833 2.6833 2.9612 2.9612 2.9614 2.9614 3.4904 3.4904 3.4908 3.4908 4.1378 4.1378 4.1386 4.1386 4.2814 4.2814 4.2822 4.2822 4.5132 4.5132 4.5139 4.5139 5.3296 5.3296 5.3303 5.3303 5.4862 5.4862 5.4867 5.4867 10.4431 10.4431 10.4431 10.4431 11.8270 11.8270 11.8271 11.8271 14.6136 14.6136 14.6136 14.6136 k = 0.5000-0.4349-0.3065 ( 3788 PWs) bands (ev): -17.2133 -17.2133 -17.2133 -17.2133 -14.1851 -14.1851 -14.1851 -14.1851 -14.0852 -14.0852 -14.0852 -14.0852 -3.0824 -3.0824 -3.0823 -3.0823 -1.8164 -1.8164 -1.8164 -1.8164 -1.4046 -1.4046 -1.4045 -1.4045 -1.0043 -1.0043 -1.0041 -1.0041 1.3255 1.3255 1.3259 1.3259 1.9014 1.9014 1.9016 1.9016 2.6818 2.6818 2.6820 2.6820 2.9620 2.9620 2.9639 2.9639 3.4908 3.4908 3.4920 3.4920 4.1368 4.1368 4.1393 4.1393 4.2797 4.2797 4.2835 4.2835 4.5105 4.5105 4.5167 4.5167 5.3247 5.3247 5.3279 5.3279 5.4881 5.4881 5.4907 5.4907 10.4440 10.4440 10.4440 10.4440 11.8275 11.8275 11.8278 11.8278 14.6097 14.6097 14.6100 14.6100 k = 0.5000-0.4249-0.3217 ( 3782 PWs) bands (ev): -17.2131 -17.2131 -17.2131 -17.2131 -14.1854 -14.1854 -14.1854 -14.1854 -14.0853 -14.0853 -14.0853 -14.0853 -3.0802 -3.0802 -3.0802 -3.0802 -1.8176 -1.8176 -1.8175 -1.8175 -1.4055 -1.4055 -1.4054 -1.4054 -1.0033 -1.0033 -1.0030 -1.0030 1.3252 1.3252 1.3260 1.3260 1.8993 1.8993 1.8995 1.8995 2.6779 2.6779 2.6780 2.6780 2.9658 2.9658 2.9695 2.9695 3.4926 3.4926 3.4950 3.4950 4.1353 4.1353 4.1400 4.1400 4.2772 4.2772 4.2848 4.2848 4.5076 4.5076 4.5199 4.5199 5.3133 5.3133 5.3190 5.3190 5.4951 5.4951 5.4997 5.4997 10.4467 10.4467 10.4468 10.4468 11.8292 11.8292 11.8298 11.8298 14.5986 14.5986 14.5991 14.5991 k = 0.5000-0.4150-0.3368 ( 3778 PWs) bands (ev): -17.2128 -17.2128 -17.2128 -17.2128 -14.1859 -14.1859 -14.1859 -14.1859 -14.0854 -14.0854 -14.0853 -14.0853 -3.0767 -3.0767 -3.0766 -3.0766 -1.8195 -1.8195 -1.8194 -1.8194 -1.4071 -1.4071 -1.4070 -1.4070 -1.0015 -1.0015 -1.0011 -1.0011 1.3246 1.3246 1.3258 1.3258 1.8958 1.8958 1.8961 1.8961 2.6715 2.6715 2.6717 2.6717 2.9725 2.9725 2.9778 2.9778 3.4960 3.4960 3.4995 3.4995 4.1335 4.1335 4.1405 4.1405 4.2744 4.2744 4.2856 4.2856 4.5049 4.5049 4.5233 4.5233 5.2974 5.2974 5.3048 5.3048 5.5060 5.5060 5.5118 5.5118 10.4511 10.4511 10.4513 10.4513 11.8322 11.8322 11.8330 11.8330 14.5807 14.5807 14.5814 14.5814 k = 0.5000-0.4051-0.3519 ( 3776 PWs) bands (ev): -17.2125 -17.2125 -17.2125 -17.2125 -14.1866 -14.1866 -14.1865 -14.1865 -14.0854 -14.0854 -14.0854 -14.0854 -3.0718 -3.0718 -3.0717 -3.0717 -1.8220 -1.8220 -1.8219 -1.8219 -1.4093 -1.4093 -1.4091 -1.4091 -0.9991 -0.9991 -0.9985 -0.9985 1.3239 1.3239 1.3254 1.3254 1.8912 1.8912 1.8916 1.8916 2.6628 2.6628 2.6634 2.6634 2.9820 2.9820 2.9884 2.9884 3.5009 3.5009 3.5053 3.5053 4.1313 4.1313 4.1407 4.1407 4.2712 4.2712 4.2860 4.2860 4.5023 4.5023 4.5266 4.5266 5.2785 5.2785 5.2870 5.2870 5.5192 5.5192 5.5256 5.5256 10.4573 10.4573 10.4575 10.4575 11.8363 11.8363 11.8373 11.8373 14.5564 14.5564 14.5573 14.5573 k = 0.5000-0.3952-0.3670 ( 3778 PWs) bands (ev): -17.2120 -17.2120 -17.2120 -17.2120 -14.1875 -14.1875 -14.1875 -14.1875 -14.0855 -14.0855 -14.0855 -14.0855 -3.0656 -3.0656 -3.0655 -3.0655 -1.8253 -1.8253 -1.8252 -1.8252 -1.4121 -1.4121 -1.4118 -1.4118 -0.9959 -0.9959 -0.9952 -0.9952 1.3229 1.3229 1.3248 1.3248 1.8857 1.8857 1.8862 1.8862 2.6522 2.6522 2.6534 2.6534 2.9936 2.9936 3.0009 3.0009 3.5072 3.5072 3.5124 3.5124 4.1287 4.1287 4.1406 4.1406 4.2678 4.2678 4.2859 4.2859 4.5000 4.5000 4.5300 4.5300 5.2576 5.2576 5.2667 5.2667 5.5335 5.5335 5.5401 5.5401 10.4651 10.4651 10.4654 10.4654 11.8414 11.8414 11.8427 11.8427 14.5266 14.5266 14.5275 14.5275 k = 0.5000-0.3853-0.3821 ( 3778 PWs) bands (ev): -17.2115 -17.2115 -17.2115 -17.2115 -14.1886 -14.1886 -14.1886 -14.1886 -14.0856 -14.0856 -14.0856 -14.0856 -3.0582 -3.0582 -3.0580 -3.0580 -1.8292 -1.8292 -1.8290 -1.8290 -1.4154 -1.4154 -1.4151 -1.4151 -0.9921 -0.9921 -0.9912 -0.9912 1.3216 1.3216 1.3238 1.3238 1.8796 1.8796 1.8801 1.8801 2.6400 2.6400 2.6421 2.6421 3.0070 3.0070 3.0149 3.0149 3.5148 3.5148 3.5206 3.5206 4.1258 4.1258 4.1401 4.1401 4.2641 4.2641 4.2855 4.2855 4.4979 4.4979 4.5335 4.5335 5.2355 5.2355 5.2449 5.2449 5.5483 5.5483 5.5547 5.5547 10.4745 10.4745 10.4748 10.4748 11.8476 11.8476 11.8492 11.8492 14.4919 14.4919 14.4929 14.4929 k = 0.5000-0.3754-0.3973 ( 3770 PWs) bands (ev): -17.2109 -17.2109 -17.2109 -17.2109 -14.1900 -14.1900 -14.1899 -14.1899 -14.0857 -14.0857 -14.0857 -14.0857 -3.0497 -3.0497 -3.0495 -3.0495 -1.8336 -1.8336 -1.8334 -1.8334 -1.4191 -1.4191 -1.4188 -1.4188 -0.9877 -0.9877 -0.9866 -0.9866 1.3199 1.3199 1.3224 1.3224 1.8731 1.8731 1.8736 1.8736 2.6264 2.6264 2.6296 2.6296 3.0218 3.0218 3.0300 3.0300 3.5236 3.5236 3.5297 3.5297 4.1225 4.1225 4.1394 4.1394 4.2604 4.2604 4.2847 4.2847 4.4962 4.4962 4.5371 4.5371 5.2126 5.2126 5.2222 5.2222 5.5629 5.5629 5.5691 5.5691 10.4854 10.4854 10.4857 10.4857 11.8548 11.8548 11.8565 11.8565 14.4532 14.4532 14.4542 14.4542 k = 0.5000-0.3655-0.4124 ( 3764 PWs) bands (ev): -17.2102 -17.2102 -17.2102 -17.2102 -14.1915 -14.1915 -14.1914 -14.1914 -14.0857 -14.0857 -14.0856 -14.0856 -3.0402 -3.0402 -3.0400 -3.0400 -1.8386 -1.8386 -1.8384 -1.8384 -1.4234 -1.4234 -1.4230 -1.4230 -0.9826 -0.9826 -0.9814 -0.9814 1.3177 1.3177 1.3204 1.3204 1.8665 1.8665 1.8671 1.8671 2.6120 2.6120 2.6162 2.6162 3.0376 3.0376 3.0458 3.0458 3.5334 3.5334 3.5395 3.5395 4.1187 4.1187 4.1383 4.1383 4.2565 4.2565 4.2836 4.2836 4.4947 4.4947 4.5407 4.5407 5.1894 5.1894 5.1990 5.1990 5.5772 5.5772 5.5830 5.5830 10.4977 10.4977 10.4980 10.4980 11.8627 11.8627 11.8647 11.8647 14.4113 14.4113 14.4123 14.4123 k = 0.5000-0.3556-0.4275 ( 3770 PWs) bands (ev): -17.2095 -17.2095 -17.2095 -17.2095 -14.1932 -14.1932 -14.1931 -14.1931 -14.0856 -14.0856 -14.0856 -14.0856 -3.0299 -3.0299 -3.0296 -3.0296 -1.8440 -1.8440 -1.8438 -1.8438 -1.4280 -1.4280 -1.4276 -1.4276 -0.9770 -0.9770 -0.9757 -0.9757 1.3149 1.3149 1.3178 1.3178 1.8602 1.8602 1.8608 1.8608 2.5967 2.5967 2.6021 2.6021 3.0540 3.0540 3.0619 3.0619 3.5440 3.5440 3.5499 3.5499 4.1145 4.1145 4.1367 4.1367 4.2525 4.2525 4.2822 4.2822 4.4937 4.4937 4.5443 4.5443 5.1661 5.1661 5.1756 5.1756 5.5909 5.5909 5.5962 5.5962 10.5111 10.5111 10.5115 10.5115 11.8714 11.8714 11.8736 11.8736 14.3668 14.3668 14.3677 14.3677 k = 0.5000-0.3457-0.4426 ( 3780 PWs) bands (ev): -17.2087 -17.2087 -17.2087 -17.2087 -14.1952 -14.1952 -14.1950 -14.1950 -14.0855 -14.0855 -14.0854 -14.0854 -3.0188 -3.0188 -3.0185 -3.0185 -1.8498 -1.8498 -1.8495 -1.8495 -1.4330 -1.4330 -1.4325 -1.4325 -0.9709 -0.9709 -0.9694 -0.9694 1.3115 1.3115 1.3144 1.3144 1.8544 1.8544 1.8551 1.8551 2.5809 2.5809 2.5876 2.5876 3.0705 3.0705 3.0781 3.0781 3.5552 3.5552 3.5606 3.5606 4.1098 4.1098 4.1348 4.1348 4.2485 4.2485 4.2806 4.2806 4.4930 4.4930 4.5480 4.5480 5.1430 5.1430 5.1523 5.1523 5.6038 5.6038 5.6086 5.6086 10.5256 10.5256 10.5260 10.5260 11.8807 11.8807 11.8831 11.8831 14.3204 14.3204 14.3212 14.3212 k = 0.5000-0.3358-0.4577 ( 3772 PWs) bands (ev): -17.2079 -17.2079 -17.2078 -17.2078 -14.1973 -14.1973 -14.1971 -14.1971 -14.0852 -14.0852 -14.0852 -14.0852 -3.0072 -3.0072 -3.0069 -3.0069 -1.8558 -1.8558 -1.8554 -1.8554 -1.4382 -1.4382 -1.4377 -1.4377 -0.9643 -0.9643 -0.9627 -0.9627 1.3073 1.3073 1.3104 1.3104 1.8494 1.8494 1.8502 1.8502 2.5648 2.5648 2.5727 2.5727 3.0868 3.0868 3.0939 3.0939 3.5669 3.5669 3.5716 3.5716 4.1049 4.1049 4.1326 4.1326 4.2446 4.2446 4.2789 4.2789 4.4927 4.4927 4.5517 4.5517 5.1205 5.1205 5.1295 5.1295 5.6159 5.6159 5.6201 5.6201 10.5410 10.5410 10.5414 10.5414 11.8905 11.8905 11.8930 11.8930 14.2728 14.2728 14.2735 14.2735 k = 0.5000-0.3259-0.4729 ( 3774 PWs) bands (ev): -17.2070 -17.2070 -17.2070 -17.2070 -14.1995 -14.1995 -14.1994 -14.1994 -14.0849 -14.0849 -14.0848 -14.0848 -2.9953 -2.9953 -2.9950 -2.9950 -1.8619 -1.8619 -1.8615 -1.8615 -1.4437 -1.4437 -1.4432 -1.4432 -0.9573 -0.9573 -0.9556 -0.9556 1.3025 1.3025 1.3055 1.3055 1.8454 1.8454 1.8464 1.8464 2.5487 2.5487 2.5577 2.5577 3.1027 3.1027 3.1091 3.1091 3.5789 3.5789 3.5825 3.5825 4.0997 4.0997 4.1301 4.1301 4.2408 4.2408 4.2770 4.2770 4.4928 4.4928 4.5556 4.5556 5.0987 5.0987 5.1075 5.1075 5.6272 5.6272 5.6308 5.6308 10.5570 10.5570 10.5575 10.5575 11.9006 11.9006 11.9033 11.9033 14.2244 14.2244 14.2250 14.2250 k = 0.5000-0.3160-0.4880 ( 3776 PWs) bands (ev): -17.2061 -17.2061 -17.2061 -17.2061 -14.2019 -14.2019 -14.2018 -14.2018 -14.0844 -14.0844 -14.0843 -14.0843 -2.9833 -2.9833 -2.9830 -2.9830 -1.8680 -1.8680 -1.8676 -1.8676 -1.4493 -1.4493 -1.4488 -1.4488 -0.9499 -0.9499 -0.9482 -0.9482 1.2968 1.2968 1.2997 1.2997 1.8426 1.8426 1.8439 1.8439 2.5325 2.5325 2.5427 2.5427 3.1178 3.1178 3.1233 3.1233 3.5910 3.5910 3.5931 3.5931 4.0943 4.0943 4.1272 4.1272 4.2370 4.2370 4.2751 4.2751 4.4933 4.4933 4.5594 4.5594 5.0778 5.0778 5.0863 5.0863 5.6375 5.6375 5.6405 5.6405 10.5735 10.5735 10.5740 10.5740 11.9110 11.9110 11.9139 11.9139 14.1758 14.1758 14.1763 14.1763 k = 0.5000-0.3061-0.5031 ( 3780 PWs) bands (ev): -17.2053 -17.2053 -17.2053 -17.2053 -14.2044 -14.2044 -14.2043 -14.2043 -14.0838 -14.0838 -14.0837 -14.0837 -2.9714 -2.9714 -2.9711 -2.9711 -1.8740 -1.8740 -1.8735 -1.8735 -1.4550 -1.4550 -1.4545 -1.4545 -0.9423 -0.9423 -0.9404 -0.9404 1.2905 1.2905 1.2933 1.2933 1.8413 1.8413 1.8428 1.8428 2.5166 2.5166 2.5279 2.5279 3.1318 3.1318 3.1363 3.1363 3.6029 3.6029 3.6035 3.6035 4.0888 4.0888 4.1240 4.1240 4.2333 4.2333 4.2734 4.2734 4.4942 4.4942 4.5634 4.5634 5.0581 5.0581 5.0663 5.0663 5.6468 5.6468 5.6492 5.6492 10.5903 10.5903 10.5908 10.5908 11.9216 11.9216 11.9245 11.9245 14.1275 14.1275 14.1278 14.1278 k = 0.5000-0.2962-0.5182 ( 3774 PWs) bands (ev): -17.2044 -17.2044 -17.2044 -17.2044 -14.2070 -14.2070 -14.2068 -14.2068 -14.0830 -14.0830 -14.0830 -14.0830 -2.9598 -2.9598 -2.9595 -2.9595 -1.8796 -1.8796 -1.8792 -1.8792 -1.4608 -1.4608 -1.4602 -1.4602 -0.9345 -0.9345 -0.9325 -0.9325 1.2836 1.2836 1.2861 1.2861 1.8414 1.8414 1.8433 1.8433 2.5011 2.5011 2.5134 2.5134 3.1445 3.1445 3.1478 3.1478 3.6132 3.6132 3.6147 3.6147 4.0833 4.0833 4.1206 4.1206 4.2298 4.2298 4.2718 4.2718 4.4954 4.4954 4.5675 4.5675 5.0398 5.0398 5.0477 5.0477 5.6552 5.6552 5.6570 5.6570 10.6071 10.6071 10.6076 10.6076 11.9323 11.9323 11.9353 11.9353 14.0799 14.0799 14.0801 14.0801 k = 0.5000-0.2863-0.5333 ( 3774 PWs) bands (ev): -17.2036 -17.2036 -17.2036 -17.2036 -14.2097 -14.2097 -14.2095 -14.2095 -14.0822 -14.0822 -14.0821 -14.0821 -2.9489 -2.9489 -2.9486 -2.9486 -1.8849 -1.8849 -1.8844 -1.8844 -1.4665 -1.4665 -1.4660 -1.4660 -0.9265 -0.9265 -0.9244 -0.9244 1.2761 1.2761 1.2783 1.2783 1.8429 1.8429 1.8452 1.8452 2.4861 2.4861 2.4994 2.4994 3.1555 3.1555 3.1576 3.1576 3.6224 3.6224 3.6258 3.6258 4.0781 4.0781 4.1170 4.1170 4.2264 4.2264 4.2704 4.2704 4.4970 4.4970 4.5716 4.5716 5.0229 5.0229 5.0305 5.0305 5.6625 5.6625 5.6637 5.6637 10.6237 10.6237 10.6242 10.6242 11.9429 11.9429 11.9460 11.9460 14.0333 14.0333 14.0334 14.0334 k = 0.5000-0.2763-0.5485 ( 3772 PWs) bands (ev): -17.2028 -17.2028 -17.2028 -17.2028 -14.2123 -14.2123 -14.2122 -14.2122 -14.0812 -14.0812 -14.0811 -14.0811 -2.9388 -2.9388 -2.9385 -2.9385 -1.8896 -1.8896 -1.8890 -1.8890 -1.4722 -1.4722 -1.4716 -1.4716 -0.9185 -0.9185 -0.9163 -0.9163 1.2683 1.2683 1.2702 1.2702 1.8460 1.8460 1.8487 1.8487 2.4718 2.4718 2.4860 2.4860 3.1648 3.1648 3.1655 3.1655 3.6308 3.6308 3.6364 3.6364 4.0732 4.0732 4.1133 4.1133 4.2231 4.2231 4.2695 4.2695 4.4988 4.4988 4.5757 4.5757 5.0077 5.0077 5.0151 5.0151 5.6688 5.6688 5.6694 5.6694 10.6397 10.6397 10.6402 10.6402 11.9535 11.9535 11.9566 11.9566 13.9882 13.9882 13.9882 13.9882 k = 0.5000-0.2664-0.5636 ( 3778 PWs) bands (ev): -17.2021 -17.2021 -17.2021 -17.2021 -14.2150 -14.2150 -14.2148 -14.2148 -14.0800 -14.0800 -14.0799 -14.0799 -2.9298 -2.9298 -2.9296 -2.9296 -1.8935 -1.8935 -1.8929 -1.8929 -1.4777 -1.4777 -1.4771 -1.4771 -0.9105 -0.9105 -0.9083 -0.9083 1.2603 1.2603 1.2618 1.2618 1.8506 1.8506 1.8538 1.8538 2.4583 2.4583 2.4733 2.4733 3.1713 3.1713 3.1720 3.1720 3.6383 3.6383 3.6462 3.6462 4.0686 4.0686 4.1094 4.1094 4.2201 4.2201 4.2689 4.2689 4.5007 4.5007 4.5798 4.5798 4.9942 4.9942 5.0015 5.0015 5.6740 5.6740 5.6740 5.6740 10.6549 10.6549 10.6554 10.6554 11.9639 11.9639 11.9671 11.9671 13.9447 13.9447 13.9449 13.9449 k = 0.5000-0.2565-0.5787 ( 3788 PWs) bands (ev): -17.2015 -17.2015 -17.2015 -17.2015 -14.2176 -14.2176 -14.2174 -14.2174 -14.0788 -14.0788 -14.0787 -14.0787 -2.9222 -2.9222 -2.9221 -2.9221 -1.8966 -1.8966 -1.8959 -1.8959 -1.4829 -1.4829 -1.4823 -1.4823 -0.9027 -0.9027 -0.9003 -0.9003 1.2523 1.2523 1.2534 1.2534 1.8565 1.8565 1.8602 1.8602 2.4457 2.4457 2.4614 2.4614 3.1749 3.1749 3.1771 3.1771 3.6451 3.6451 3.6551 3.6551 4.0646 4.0646 4.1054 4.1054 4.2173 4.2173 4.2689 4.2689 4.5029 4.5029 4.5839 4.5839 4.9826 4.9826 4.9899 4.9899 5.6775 5.6775 5.6781 5.6781 10.6690 10.6690 10.6695 10.6695 11.9743 11.9743 11.9774 11.9774 13.9033 13.9033 13.9036 13.9036 k = 0.5000-0.2466-0.5938 ( 3782 PWs) bands (ev): -17.2010 -17.2010 -17.2010 -17.2010 -14.2201 -14.2201 -14.2199 -14.2199 -14.0774 -14.0774 -14.0773 -14.0773 -2.9162 -2.9162 -2.9161 -2.9161 -1.8986 -1.8986 -1.8979 -1.8979 -1.4879 -1.4879 -1.4873 -1.4873 -0.8951 -0.8951 -0.8927 -0.8927 1.2446 1.2446 1.2453 1.2453 1.8637 1.8637 1.8679 1.8679 2.4341 2.4341 2.4505 2.4505 3.1762 3.1762 3.1800 3.1800 3.6510 3.6510 3.6630 3.6630 4.0611 4.0611 4.1014 4.1014 4.2150 4.2150 4.2695 4.2695 4.5051 4.5051 4.5880 4.5880 4.9730 4.9730 4.9803 4.9803 5.6800 5.6800 5.6811 5.6811 10.6816 10.6816 10.6821 10.6821 11.9846 11.9846 11.9877 11.9877 13.8643 13.8643 13.8646 13.8646 k = 0.5000-0.2367-0.6089 ( 3776 PWs) bands (ev): -17.2006 -17.2006 -17.2006 -17.2006 -14.2224 -14.2224 -14.2222 -14.2222 -14.0759 -14.0759 -14.0758 -14.0758 -2.9121 -2.9121 -2.9121 -2.9121 -1.8996 -1.8996 -1.8988 -1.8988 -1.4925 -1.4925 -1.4920 -1.4920 -0.8878 -0.8878 -0.8853 -0.8853 1.2374 1.2374 1.2377 1.2377 1.8721 1.8721 1.8769 1.8769 2.4237 2.4237 2.4407 2.4407 3.1752 3.1752 3.1806 3.1806 3.6560 3.6560 3.6699 3.6699 4.0582 4.0582 4.0974 4.0974 4.2132 4.2132 4.2706 4.2706 4.5073 4.5073 4.5920 4.5920 4.9652 4.9652 4.9727 4.9727 5.6814 5.6814 5.6831 5.6831 10.6925 10.6925 10.6930 10.6930 11.9948 11.9948 11.9979 11.9979 13.8278 13.8278 13.8283 13.8283 k = 0.5000-0.2268-0.6241 ( 3776 PWs) bands (ev): -17.2003 -17.2003 -17.2003 -17.2003 -14.2246 -14.2246 -14.2244 -14.2244 -14.0744 -14.0744 -14.0742 -14.0742 -2.9100 -2.9100 -2.9100 -2.9100 -1.8994 -1.8994 -1.8986 -1.8986 -1.4968 -1.4968 -1.4962 -1.4962 -0.8810 -0.8810 -0.8784 -0.8784 1.2307 1.2307 1.2309 1.2309 1.8815 1.8815 1.8868 1.8868 2.4145 2.4145 2.4321 2.4321 3.1720 3.1720 3.1789 3.1789 3.6602 3.6602 3.6757 3.6757 4.0558 4.0558 4.0934 4.0934 4.2119 4.2119 4.2724 4.2724 4.5095 4.5095 4.5958 4.5958 4.9594 4.9594 4.9672 4.9672 5.6817 5.6817 5.6839 5.6839 10.7013 10.7013 10.7018 10.7018 12.0050 12.0050 12.0080 12.0080 13.7943 13.7943 13.7948 13.7948 k = 0.5000-0.2169-0.6392 ( 3782 PWs) bands (ev): -17.2001 -17.2001 -17.2001 -17.2001 -14.2266 -14.2266 -14.2264 -14.2264 -14.0727 -14.0727 -14.0725 -14.0725 -2.9101 -2.9101 -2.9100 -2.9100 -1.8980 -1.8980 -1.8972 -1.8972 -1.5006 -1.5006 -1.5000 -1.5000 -0.8747 -0.8747 -0.8720 -0.8720 1.2247 1.2247 1.2254 1.2254 1.8917 1.8917 1.8977 1.8977 2.4067 2.4067 2.4247 2.4247 3.1666 3.1666 3.1751 3.1751 3.6635 3.6635 3.6803 3.6803 4.0537 4.0537 4.0895 4.0895 4.2113 4.2113 4.2747 4.2747 4.5115 4.5115 4.5994 4.5994 4.9555 4.9555 4.9636 4.9636 5.6809 5.6809 5.6836 5.6836 10.7078 10.7078 10.7082 10.7082 12.0153 12.0153 12.0182 12.0182 13.7637 13.7637 13.7644 13.7644 k = 0.5000-0.2070-0.6543 ( 3782 PWs) bands (ev): -17.2001 -17.2001 -17.2001 -17.2001 -14.2283 -14.2283 -14.2281 -14.2281 -14.0709 -14.0709 -14.0707 -14.0707 -2.9125 -2.9125 -2.9123 -2.9123 -1.8954 -1.8954 -1.8945 -1.8945 -1.5039 -1.5039 -1.5034 -1.5034 -0.8690 -0.8690 -0.8663 -0.8663 1.2200 1.2200 1.2210 1.2210 1.9027 1.9027 1.9093 1.9093 2.4003 2.4003 2.4188 2.4188 3.1593 3.1593 3.1692 3.1692 3.6660 3.6660 3.6838 3.6838 4.0521 4.0521 4.0858 4.0858 4.2114 4.2114 4.2775 4.2775 4.5134 4.5134 4.6027 4.6027 4.9534 4.9534 4.9621 4.9621 5.6791 5.6791 5.6822 5.6822 10.7116 10.7116 10.7119 10.7119 12.0258 12.0258 12.0286 12.0286 13.7364 13.7364 13.7372 13.7372 k = 0.5000-0.1971-0.6694 ( 3790 PWs) bands (ev): -17.2003 -17.2003 -17.2003 -17.2003 -14.2298 -14.2298 -14.2295 -14.2295 -14.0691 -14.0691 -14.0689 -14.0689 -2.9172 -2.9172 -2.9170 -2.9170 -1.8916 -1.8916 -1.8907 -1.8907 -1.5067 -1.5067 -1.5062 -1.5062 -0.8641 -0.8641 -0.8613 -0.8613 1.2166 1.2166 1.2181 1.2181 1.9142 1.9142 1.9214 1.9214 2.3954 2.3954 2.4143 2.4143 3.1502 3.1502 3.1614 3.1614 3.6677 3.6677 3.6862 3.6862 4.0507 4.0507 4.0822 4.0822 4.2123 4.2123 4.2807 4.2807 4.5150 4.5150 4.6057 4.6057 4.9531 4.9531 4.9623 4.9623 5.6761 5.6761 5.6797 5.6797 10.7124 10.7124 10.7127 10.7127 12.0365 12.0365 12.0392 12.0392 13.7125 13.7125 13.7133 13.7133 k = 0.5000-0.1872-0.6845 ( 3792 PWs) bands (ev): -17.2006 -17.2006 -17.2006 -17.2006 -14.2309 -14.2309 -14.2307 -14.2307 -14.0672 -14.0672 -14.0670 -14.0670 -2.9242 -2.9242 -2.9239 -2.9239 -1.8868 -1.8868 -1.8859 -1.8859 -1.5090 -1.5090 -1.5085 -1.5085 -0.8599 -0.8599 -0.8571 -0.8571 1.2148 1.2148 1.2167 1.2167 1.9261 1.9261 1.9339 1.9339 2.3921 2.3921 2.4113 2.4113 3.1396 3.1396 3.1521 3.1521 3.6686 3.6686 3.6873 3.6873 4.0495 4.0495 4.0789 4.0789 4.2141 4.2141 4.2844 4.2844 4.5164 4.5164 4.6083 4.6083 4.9545 4.9545 4.9643 4.9643 5.6721 5.6721 5.6761 5.6761 10.7101 10.7101 10.7103 10.7103 12.0475 12.0475 12.0501 12.0501 13.6921 13.6921 13.6929 13.6929 k = 0.5000-0.1773-0.6997 ( 3790 PWs) bands (ev): -17.2011 -17.2011 -17.2011 -17.2011 -14.2317 -14.2317 -14.2315 -14.2315 -14.0653 -14.0653 -14.0651 -14.0651 -2.9336 -2.9336 -2.9333 -2.9333 -1.8810 -1.8810 -1.8801 -1.8801 -1.5106 -1.5106 -1.5101 -1.5101 -0.8567 -0.8567 -0.8538 -0.8538 1.2149 1.2149 1.2172 1.2172 1.9382 1.9382 1.9466 1.9466 2.3904 2.3904 2.4099 2.4099 3.1278 3.1278 3.1414 3.1414 3.6686 3.6686 3.6873 3.6873 4.0485 4.0485 4.0760 4.0760 4.2168 4.2168 4.2883 4.2883 4.5174 4.5174 4.6105 4.6105 4.9575 4.9575 4.9679 4.9679 5.6670 5.6670 5.6715 5.6715 10.7044 10.7044 10.7046 10.7046 12.0589 12.0589 12.0613 12.0613 13.6754 13.6754 13.6762 13.6762 k = 0.5000-0.1674-0.7148 ( 3782 PWs) bands (ev): -17.2018 -17.2018 -17.2018 -17.2018 -14.2321 -14.2321 -14.2319 -14.2319 -14.0633 -14.0633 -14.0630 -14.0630 -2.9452 -2.9452 -2.9448 -2.9448 -1.8745 -1.8745 -1.8735 -1.8735 -1.5117 -1.5117 -1.5112 -1.5112 -0.8544 -0.8544 -0.8515 -0.8515 1.2169 1.2169 1.2196 1.2196 1.9503 1.9503 1.9594 1.9594 2.3905 2.3905 2.4102 2.4102 3.1152 3.1152 3.1298 3.1298 3.6677 3.6677 3.6862 3.6862 4.0477 4.0477 4.0736 4.0736 4.2202 4.2202 4.2925 4.2925 4.5181 4.5181 4.6122 4.6122 4.9620 4.9620 4.9730 4.9730 5.6609 5.6609 5.6659 5.6659 10.6953 10.6953 10.6953 10.6953 12.0707 12.0707 12.0730 12.0730 13.6624 13.6624 13.6633 13.6633 k = 0.5000-0.1575-0.7299 ( 3786 PWs) bands (ev): -17.2027 -17.2027 -17.2027 -17.2027 -14.2321 -14.2321 -14.2319 -14.2319 -14.0612 -14.0612 -14.0610 -14.0610 -2.9590 -2.9590 -2.9585 -2.9585 -1.8672 -1.8672 -1.8662 -1.8662 -1.5122 -1.5122 -1.5118 -1.5118 -0.8530 -0.8530 -0.8501 -0.8501 1.2209 1.2209 1.2240 1.2240 1.9624 1.9624 1.9721 1.9721 2.3924 2.3924 2.4123 2.4123 3.1020 3.1020 3.1175 3.1175 3.6658 3.6658 3.6838 3.6838 4.0471 4.0471 4.0716 4.0716 4.2243 4.2243 4.2968 4.2968 4.5184 4.5184 4.6133 4.6133 4.9677 4.9677 4.9793 4.9793 5.6538 5.6538 5.6593 5.6593 10.6825 10.6825 10.6826 10.6826 12.0828 12.0828 12.0849 12.0849 13.6532 13.6532 13.6541 13.6541 k = 0.7853-0.0294-0.4358 ( 3786 PWs) bands (ev): -17.2027 -17.2027 -17.2027 -17.2027 -14.2322 -14.2322 -14.2319 -14.2319 -14.0612 -14.0612 -14.0610 -14.0610 -2.9590 -2.9590 -2.9585 -2.9585 -1.8672 -1.8672 -1.8663 -1.8663 -1.5122 -1.5122 -1.5118 -1.5118 -0.8531 -0.8531 -0.8501 -0.8501 1.2209 1.2209 1.2240 1.2240 1.9624 1.9624 1.9720 1.9720 2.3924 2.3924 2.4122 2.4122 3.1020 3.1020 3.1175 3.1175 3.6658 3.6658 3.6838 3.6838 4.0470 4.0470 4.0716 4.0716 4.2243 4.2243 4.2968 4.2968 4.5184 4.5184 4.6133 4.6133 4.9677 4.9677 4.9793 4.9793 5.6538 5.6538 5.6593 5.6593 10.6825 10.6825 10.6826 10.6826 12.0828 12.0828 12.0849 12.0849 13.6532 13.6532 13.6541 13.6541 k = 0.7778-0.0227-0.4205 ( 3782 PWs) bands (ev): -17.2038 -17.2038 -17.2038 -17.2038 -14.2318 -14.2318 -14.2315 -14.2315 -14.0592 -14.0592 -14.0589 -14.0589 -2.9751 -2.9751 -2.9745 -2.9745 -1.8594 -1.8594 -1.8584 -1.8584 -1.5122 -1.5122 -1.5117 -1.5117 -0.8527 -0.8527 -0.8498 -0.8498 1.2273 1.2273 1.2307 1.2307 1.9743 1.9743 1.9845 1.9845 2.3961 2.3961 2.4161 2.4161 3.0885 3.0885 3.1048 3.1048 3.6630 3.6630 3.6802 3.6802 4.0465 4.0465 4.0701 4.0701 4.2292 4.2292 4.3013 4.3013 4.5183 4.5183 4.6140 4.6140 4.9746 4.9746 4.9868 4.9868 5.6456 5.6456 5.6517 5.6517 10.6659 10.6659 10.6659 10.6659 12.0953 12.0953 12.0974 12.0974 13.6480 13.6480 13.6488 13.6488 k = 0.7703-0.0160-0.4051 ( 3782 PWs) bands (ev): -17.2051 -17.2051 -17.2051 -17.2051 -14.2310 -14.2310 -14.2307 -14.2307 -14.0571 -14.0571 -14.0568 -14.0568 -2.9931 -2.9931 -2.9924 -2.9924 -1.8511 -1.8511 -1.8502 -1.8502 -1.5116 -1.5116 -1.5112 -1.5112 -0.8535 -0.8535 -0.8505 -0.8505 1.2359 1.2359 1.2397 1.2397 1.9857 1.9857 1.9965 1.9965 2.4017 2.4017 2.4218 2.4218 3.0751 3.0751 3.0921 3.0921 3.6591 3.6591 3.6754 3.6754 4.0462 4.0462 4.0692 4.0692 4.2347 4.2347 4.3058 4.3058 4.5176 4.5176 4.6140 4.6140 4.9826 4.9826 4.9953 4.9953 5.6366 5.6366 5.6431 5.6431 10.6456 10.6456 10.6457 10.6457 12.1080 12.1080 12.1099 12.1099 13.6468 13.6468 13.6477 13.6477 k = 0.7628-0.0094-0.3898 ( 3778 PWs) bands (ev): -17.2066 -17.2066 -17.2066 -17.2066 -14.2297 -14.2297 -14.2294 -14.2294 -14.0549 -14.0549 -14.0547 -14.0547 -3.0129 -3.0129 -3.0122 -3.0122 -1.8427 -1.8427 -1.8417 -1.8417 -1.5105 -1.5105 -1.5102 -1.5102 -0.8553 -0.8553 -0.8522 -0.8522 1.2468 1.2468 1.2509 1.2509 1.9965 1.9965 2.0078 2.0078 2.4093 2.4093 2.4294 2.4294 3.0623 3.0623 3.0798 3.0798 3.6542 3.6542 3.6695 3.6695 4.0462 4.0462 4.0689 4.0689 4.2406 4.2406 4.3103 4.3103 4.5165 4.5165 4.6134 4.6134 4.9914 4.9914 5.0046 5.0046 5.6267 5.6267 5.6338 5.6338 10.6218 10.6218 10.6219 10.6219 12.1207 12.1207 12.1225 12.1225 13.6499 13.6499 13.6507 13.6507 k = 0.7553-0.0027-0.3744 ( 3782 PWs) bands (ev): -17.2083 -17.2083 -17.2083 -17.2083 -14.2280 -14.2280 -14.2277 -14.2277 -14.0528 -14.0528 -14.0526 -14.0526 -3.0343 -3.0343 -3.0335 -3.0335 -1.8341 -1.8341 -1.8332 -1.8332 -1.5091 -1.5091 -1.5088 -1.5088 -0.8580 -0.8580 -0.8550 -0.8550 1.2600 1.2600 1.2645 1.2645 2.0064 2.0064 2.0183 2.0183 2.4187 2.4187 2.4389 2.4389 3.0504 3.0504 3.0682 3.0682 3.6483 3.6483 3.6625 3.6625 4.0463 4.0463 4.0692 4.0692 4.2468 4.2468 4.3147 4.3147 4.5148 4.5148 4.6122 4.6122 5.0009 5.0009 5.0146 5.0146 5.6159 5.6159 5.6236 5.6236 10.5945 10.5945 10.5947 10.5947 12.1330 12.1330 12.1347 12.1347 13.6574 13.6574 13.6580 13.6580 k = 0.7478 0.0040-0.3591 ( 3782 PWs) bands (ev): -17.2102 -17.2102 -17.2102 -17.2102 -14.2258 -14.2258 -14.2255 -14.2255 -14.0508 -14.0508 -14.0505 -14.0505 -3.0571 -3.0571 -3.0563 -3.0563 -1.8256 -1.8256 -1.8247 -1.8247 -1.5074 -1.5074 -1.5071 -1.5071 -0.8617 -0.8617 -0.8586 -0.8586 1.2755 1.2755 1.2802 1.2802 2.0155 2.0155 2.0277 2.0277 2.4300 2.4300 2.4502 2.4502 3.0397 3.0397 3.0578 3.0578 3.6414 3.6414 3.6543 3.6543 4.0468 4.0468 4.0701 4.0701 4.2534 4.2534 4.3191 4.3191 4.5125 4.5125 4.6103 4.6103 5.0109 5.0109 5.0250 5.0250 5.6045 5.6045 5.6128 5.6128 10.5641 10.5641 10.5642 10.5642 12.1449 12.1449 12.1465 12.1465 13.6692 13.6692 13.6698 13.6698 k = 0.7403 0.0107-0.3438 ( 3788 PWs) bands (ev): -17.2123 -17.2123 -17.2123 -17.2123 -14.2232 -14.2232 -14.2229 -14.2229 -14.0487 -14.0487 -14.0484 -14.0484 -3.0812 -3.0812 -3.0804 -3.0804 -1.8171 -1.8171 -1.8163 -1.8163 -1.5056 -1.5056 -1.5053 -1.5053 -0.8663 -0.8663 -0.8632 -0.8632 1.2931 1.2931 1.2981 1.2981 2.0234 2.0234 2.0360 2.0360 2.4432 2.4432 2.4634 2.4634 3.0305 3.0305 3.0487 3.0487 3.6335 3.6335 3.6451 3.6451 4.0476 4.0476 4.0716 4.0716 4.2600 4.2600 4.3233 4.3233 4.5095 4.5095 4.6078 4.6078 5.0214 5.0214 5.0358 5.0358 5.5924 5.5924 5.6013 5.6013 10.5306 10.5306 10.5307 10.5307 12.1559 12.1559 12.1575 12.1575 13.6855 13.6855 13.6859 13.6859 k = 0.7328 0.0174-0.3284 ( 3784 PWs) bands (ev): -17.2146 -17.2146 -17.2146 -17.2146 -14.2201 -14.2201 -14.2198 -14.2198 -14.0467 -14.0467 -14.0464 -14.0464 -3.1064 -3.1064 -3.1055 -3.1055 -1.8089 -1.8089 -1.8080 -1.8080 -1.5037 -1.5037 -1.5034 -1.5034 -0.8716 -0.8716 -0.8684 -0.8684 1.3128 1.3128 1.3180 1.3180 2.0303 2.0303 2.0430 2.0430 2.4582 2.4582 2.4784 2.4784 3.0230 3.0230 3.0412 3.0412 3.6247 3.6247 3.6349 3.6349 4.0487 4.0487 4.0737 4.0737 4.2667 4.2667 4.3275 4.3275 4.5060 4.5060 4.6047 4.6047 5.0322 5.0322 5.0468 5.0468 5.5799 5.5799 5.5894 5.5894 10.4944 10.4944 10.4945 10.4945 12.1659 12.1659 12.1675 12.1675 13.7064 13.7064 13.7066 13.7066 k = 0.7253 0.0240-0.3131 ( 3796 PWs) bands (ev): -17.2171 -17.2171 -17.2171 -17.2171 -14.2166 -14.2166 -14.2163 -14.2163 -14.0447 -14.0447 -14.0444 -14.0444 -3.1326 -3.1326 -3.1317 -3.1317 -1.8008 -1.8008 -1.8000 -1.8000 -1.5019 -1.5019 -1.5017 -1.5017 -0.8775 -0.8775 -0.8744 -0.8744 1.3344 1.3344 1.3398 1.3398 2.0358 2.0358 2.0487 2.0487 2.4750 2.4750 2.4951 2.4951 3.0175 3.0175 3.0356 3.0356 3.6150 3.6150 3.6238 3.6238 4.0502 4.0502 4.0763 4.0763 4.2733 4.2733 4.3314 4.3314 4.5018 4.5018 4.6009 4.6009 5.0431 5.0431 5.0579 5.0579 5.5668 5.5668 5.5770 5.5770 10.4557 10.4557 10.4558 10.4558 12.1745 12.1745 12.1761 12.1761 13.7319 13.7319 13.7319 13.7319 k = 0.7178 0.0307-0.2977 ( 3796 PWs) bands (ev): -17.2198 -17.2198 -17.2197 -17.2197 -14.2127 -14.2127 -14.2123 -14.2123 -14.0427 -14.0427 -14.0424 -14.0424 -3.1595 -3.1595 -3.1585 -3.1585 -1.7929 -1.7929 -1.7921 -1.7921 -1.5003 -1.5003 -1.5001 -1.5001 -0.8839 -0.8839 -0.8808 -0.8808 1.3577 1.3577 1.3633 1.3633 2.0401 2.0401 2.0530 2.0530 2.4934 2.4934 2.5135 2.5135 3.0141 3.0141 3.0319 3.0319 3.6044 3.6044 3.6119 3.6119 4.0520 4.0520 4.0794 4.0794 4.2797 4.2797 4.3352 4.3352 4.4970 4.4970 4.5966 4.5966 5.0542 5.0542 5.0691 5.0691 5.5534 5.5534 5.5643 5.5643 10.4148 10.4148 10.4148 10.4148 12.1816 12.1816 12.1832 12.1832 13.7618 13.7618 13.7620 13.7620 k = 0.7103 0.0374-0.2824 ( 3798 PWs) bands (ev): -17.2226 -17.2226 -17.2225 -17.2225 -14.2083 -14.2083 -14.2080 -14.2080 -14.0408 -14.0408 -14.0405 -14.0405 -3.1870 -3.1870 -3.1860 -3.1860 -1.7852 -1.7852 -1.7845 -1.7845 -1.4992 -1.4992 -1.4990 -1.4990 -0.8907 -0.8907 -0.8876 -0.8876 1.3826 1.3826 1.3884 1.3884 2.0431 2.0431 2.0559 2.0559 2.5134 2.5134 2.5335 2.5335 3.0129 3.0129 3.0304 3.0304 3.5931 3.5931 3.5991 3.5991 4.0542 4.0542 4.0830 4.0830 4.2860 4.2860 4.3388 4.3388 4.4916 4.4916 4.5917 4.5917 5.0653 5.0653 5.0803 5.0803 5.5398 5.5398 5.5514 5.5514 10.3719 10.3719 10.3719 10.3719 12.1869 12.1869 12.1885 12.1885 13.7964 13.7964 13.7968 13.7968 k = 0.7027 0.0441-0.2671 ( 3792 PWs) bands (ev): -17.2256 -17.2256 -17.2255 -17.2255 -14.2035 -14.2035 -14.2032 -14.2032 -14.0390 -14.0390 -14.0387 -14.0387 -3.2150 -3.2150 -3.2140 -3.2140 -1.7777 -1.7777 -1.7770 -1.7770 -1.4985 -1.4985 -1.4984 -1.4984 -0.8977 -0.8977 -0.8946 -0.8946 1.4088 1.4088 1.4147 1.4147 2.0448 2.0448 2.0574 2.0574 2.5350 2.5350 2.5550 2.5550 3.0141 3.0141 3.0309 3.0309 3.5810 3.5810 3.5856 3.5856 4.0568 4.0568 4.0871 4.0871 4.2920 4.2920 4.3422 4.3422 4.4856 4.4856 4.5864 4.5864 5.0763 5.0763 5.0913 5.0913 5.5260 5.5260 5.5383 5.5383 10.3273 10.3273 10.3274 10.3274 12.1902 12.1902 12.1919 12.1919 13.8355 13.8355 13.8362 13.8362 k = 0.6952 0.0508-0.2517 ( 3790 PWs) bands (ev): -17.2286 -17.2286 -17.2286 -17.2286 -14.1984 -14.1984 -14.1981 -14.1981 -14.0372 -14.0372 -14.0369 -14.0369 -3.2434 -3.2434 -3.2423 -3.2423 -1.7704 -1.7704 -1.7697 -1.7697 -1.4984 -1.4984 -1.4983 -1.4983 -0.9048 -0.9048 -0.9018 -0.9018 1.4361 1.4361 1.4421 1.4421 2.0453 2.0453 2.0576 2.0576 2.5579 2.5579 2.5779 2.5779 3.0174 3.0174 3.0337 3.0337 3.5683 3.5683 3.5714 3.5714 4.0598 4.0598 4.0916 4.0916 4.2975 4.2975 4.3453 4.3453 4.4792 4.4792 4.5806 4.5806 5.0873 5.0873 5.1022 5.1022 5.5121 5.5121 5.5252 5.5252 10.2814 10.2814 10.2815 10.2815 12.1914 12.1914 12.1933 12.1933 13.8791 13.8791 13.8802 13.8802 k = 0.6877 0.0574-0.2364 ( 3782 PWs) bands (ev): -17.2318 -17.2318 -17.2318 -17.2318 -14.1930 -14.1930 -14.1927 -14.1927 -14.0355 -14.0355 -14.0352 -14.0352 -3.2719 -3.2719 -3.2708 -3.2708 -1.7632 -1.7632 -1.7626 -1.7626 -1.4991 -1.4991 -1.4990 -1.4990 -0.9119 -0.9119 -0.9089 -0.9089 1.4643 1.4643 1.4704 1.4704 2.0446 2.0446 2.0565 2.0565 2.5822 2.5822 2.6021 2.6021 3.0229 3.0229 3.0384 3.0384 3.5550 3.5550 3.5566 3.5566 4.0632 4.0632 4.0965 4.0965 4.3026 4.3026 4.3480 4.3480 4.4722 4.4722 4.5743 4.5743 5.0981 5.0981 5.1128 5.1128 5.4983 5.4983 5.5121 5.5121 10.2343 10.2343 10.2345 10.2345 12.1906 12.1906 12.1925 12.1925 13.9273 13.9273 13.9287 13.9287 k = 0.6802 0.0641-0.2211 ( 3778 PWs) bands (ev): -17.2351 -17.2351 -17.2351 -17.2351 -14.1872 -14.1872 -14.1869 -14.1869 -14.0339 -14.0339 -14.0336 -14.0336 -3.3004 -3.3004 -3.2994 -3.2994 -1.7562 -1.7562 -1.7556 -1.7556 -1.5005 -1.5005 -1.5004 -1.5004 -0.9188 -0.9188 -0.9158 -0.9158 1.4932 1.4932 1.4993 1.4993 2.0429 2.0429 2.0543 2.0543 2.6077 2.6077 2.6275 2.6275 3.0305 3.0305 3.0451 3.0451 3.5411 3.5411 3.5413 3.5413 4.0671 4.0671 4.1019 4.1019 4.3072 4.3072 4.3504 4.3504 4.4649 4.4649 4.5677 4.5677 5.1087 5.1087 5.1233 5.1233 5.4846 5.4846 5.4990 5.4990 10.1864 10.1864 10.1866 10.1866 12.1876 12.1876 12.1895 12.1895 13.9797 13.9797 13.9814 13.9814 k = 0.6727 0.0708-0.2057 ( 3774 PWs) bands (ev): -17.2385 -17.2385 -17.2384 -17.2384 -14.1811 -14.1811 -14.1808 -14.1808 -14.0324 -14.0324 -14.0321 -14.0321 -3.3289 -3.3289 -3.3278 -3.3278 -1.7493 -1.7493 -1.7487 -1.7487 -1.5027 -1.5027 -1.5027 -1.5027 -0.9254 -0.9254 -0.9225 -0.9225 1.5225 1.5225 1.5285 1.5285 2.0402 2.0402 2.0511 2.0511 2.6343 2.6343 2.6539 2.6539 3.0398 3.0398 3.0536 3.0536 3.5255 3.5255 3.5269 3.5269 4.0715 4.0715 4.1077 4.1077 4.3112 4.3112 4.3524 4.3524 4.4573 4.4573 4.5608 4.5608 5.1192 5.1192 5.1335 5.1335 5.4710 5.4710 5.4861 5.4861 10.1378 10.1378 10.1381 10.1381 12.1825 12.1825 12.1845 12.1845 14.0363 14.0363 14.0384 14.0384 k = 0.6652 0.0775-0.1904 ( 3778 PWs) bands (ev): -17.2419 -17.2419 -17.2419 -17.2419 -14.1748 -14.1748 -14.1745 -14.1745 -14.0310 -14.0310 -14.0307 -14.0307 -3.3572 -3.3572 -3.3561 -3.3561 -1.7425 -1.7425 -1.7420 -1.7420 -1.5057 -1.5057 -1.5057 -1.5057 -0.9318 -0.9318 -0.9289 -0.9289 1.5520 1.5520 1.5580 1.5580 2.0367 2.0367 2.0471 2.0471 2.6618 2.6618 2.6813 2.6813 3.0507 3.0507 3.0635 3.0635 3.5093 3.5093 3.5122 3.5122 4.0762 4.0762 4.1138 4.1138 4.3145 4.3145 4.3539 4.3539 4.4496 4.4496 4.5537 4.5537 5.1294 5.1294 5.1435 5.1435 5.4577 5.4577 5.4734 5.4734 10.0889 10.0889 10.0893 10.0893 12.1754 12.1754 12.1775 12.1775 14.0969 14.0969 14.0994 14.0994 k = 0.6577 0.0842-0.1750 ( 3768 PWs) bands (ev): -17.2454 -17.2454 -17.2453 -17.2453 -14.1683 -14.1683 -14.1680 -14.1680 -14.0297 -14.0297 -14.0295 -14.0295 -3.3851 -3.3851 -3.3841 -3.3841 -1.7358 -1.7358 -1.7353 -1.7353 -1.5096 -1.5096 -1.5095 -1.5095 -0.9377 -0.9377 -0.9349 -0.9349 1.5816 1.5816 1.5874 1.5874 2.0325 2.0325 2.0423 2.0423 2.6903 2.6903 2.7096 2.7096 3.0628 3.0628 3.0746 3.0746 3.4929 3.4929 3.4973 3.4973 4.0816 4.0816 4.1204 4.1204 4.3171 4.3171 4.3548 4.3548 4.4418 4.4418 4.5466 4.5466 5.1394 5.1394 5.1532 5.1532 5.4447 5.4447 5.4609 5.4609 10.0400 10.0400 10.0404 10.0404 12.1664 12.1664 12.1686 12.1686 14.1614 14.1614 14.1643 14.1643 k = 0.6502 0.0908-0.1597 ( 3770 PWs) bands (ev): -17.2489 -17.2489 -17.2488 -17.2488 -14.1617 -14.1617 -14.1614 -14.1614 -14.0286 -14.0286 -14.0283 -14.0283 -3.4126 -3.4126 -3.4116 -3.4116 -1.7293 -1.7293 -1.7288 -1.7288 -1.5142 -1.5142 -1.5141 -1.5141 -0.9431 -0.9431 -0.9404 -0.9404 1.6109 1.6109 1.6165 1.6165 2.0278 2.0278 2.0370 2.0370 2.7195 2.7195 2.7386 2.7386 3.0759 3.0759 3.0866 3.0866 3.4764 3.4764 3.4822 3.4822 4.0875 4.0875 4.1273 4.1273 4.3190 4.3190 4.3551 4.3551 4.4343 4.4343 4.5393 4.5393 5.1492 5.1492 5.1626 5.1626 5.4320 5.4320 5.4487 5.4487 9.9912 9.9912 9.9917 9.9917 12.1557 12.1557 12.1580 12.1580 14.2295 14.2295 14.2328 14.2328 k = 0.6427 0.0975-0.1444 ( 3768 PWs) bands (ev): -17.2523 -17.2523 -17.2523 -17.2523 -14.1548 -14.1548 -14.1545 -14.1545 -14.0275 -14.0275 -14.0273 -14.0273 -3.4396 -3.4396 -3.4386 -3.4386 -1.7228 -1.7228 -1.7223 -1.7223 -1.5195 -1.5195 -1.5194 -1.5194 -0.9481 -0.9481 -0.9455 -0.9455 1.6398 1.6398 1.6453 1.6453 2.0227 2.0227 2.0313 2.0313 2.7493 2.7493 2.7681 2.7681 3.0896 3.0896 3.0993 3.0993 3.4599 3.4599 3.4671 3.4671 4.0939 4.0939 4.1346 4.1346 4.3201 4.3201 4.3547 4.3547 4.4271 4.4271 4.5321 4.5321 5.1588 5.1588 5.1718 5.1718 5.4197 5.4197 5.4367 5.4367 9.9428 9.9428 9.9433 9.9433 12.1435 12.1435 12.1458 12.1458 14.3010 14.3010 14.3047 14.3047 k = 0.6352 0.1042-0.1290 ( 3764 PWs) bands (ev): -17.2558 -17.2558 -17.2557 -17.2557 -14.1479 -14.1479 -14.1476 -14.1476 -14.0266 -14.0266 -14.0264 -14.0264 -3.4659 -3.4659 -3.4649 -3.4649 -1.7164 -1.7164 -1.7160 -1.7160 -1.5254 -1.5254 -1.5254 -1.5254 -0.9526 -0.9526 -0.9501 -0.9501 1.6682 1.6682 1.6734 1.6734 2.0173 2.0173 2.0254 2.0254 2.7795 2.7795 2.7980 2.7980 3.1036 3.1036 3.1122 3.1122 3.4435 3.4435 3.4521 3.4521 4.1008 4.1008 4.1422 4.1422 4.3204 4.3204 4.3533 4.3533 4.4206 4.4206 4.5250 4.5250 5.1681 5.1681 5.1807 5.1807 5.4078 5.4078 5.4251 5.4251 9.8950 9.8950 9.8956 9.8956 12.1300 12.1300 12.1322 12.1322 14.3757 14.3757 14.3798 14.3798 k = 0.6277 0.1109-0.1137 ( 3772 PWs) bands (ev): -17.2592 -17.2592 -17.2592 -17.2592 -14.1410 -14.1410 -14.1407 -14.1407 -14.0259 -14.0259 -14.0256 -14.0256 -3.4914 -3.4914 -3.4904 -3.4904 -1.7101 -1.7101 -1.7097 -1.7097 -1.5319 -1.5319 -1.5318 -1.5318 -0.9566 -0.9566 -0.9543 -0.9543 1.6959 1.6959 1.7008 1.7008 2.0118 2.0118 2.0193 2.0193 2.8098 2.8098 2.8281 2.8281 3.1174 3.1174 3.1250 3.1250 3.4276 3.4276 3.4375 3.4375 4.1082 4.1082 4.1500 4.1500 4.3199 4.3199 4.3509 4.3509 4.4148 4.4148 4.5180 4.5180 5.1772 5.1772 5.1893 5.1893 5.3964 5.3964 5.4138 5.4138 9.8480 9.8480 9.8487 9.8487 12.1153 12.1153 12.1176 12.1176 14.4533 14.4533 14.4578 14.4578 k = 0.6201 0.1176-0.0984 ( 3768 PWs) bands (ev): -17.2626 -17.2626 -17.2625 -17.2625 -14.1340 -14.1340 -14.1337 -14.1337 -14.0253 -14.0253 -14.0250 -14.0250 -3.5161 -3.5161 -3.5151 -3.5151 -1.7040 -1.7040 -1.7036 -1.7036 -1.5388 -1.5388 -1.5387 -1.5387 -0.9602 -0.9602 -0.9579 -0.9579 1.7227 1.7227 1.7273 1.7273 2.0062 2.0062 2.0131 2.0131 2.8403 2.8403 2.8582 2.8582 3.1307 3.1307 3.1373 3.1373 3.4123 3.4123 3.4235 3.4235 4.1162 4.1162 4.1581 4.1581 4.3188 4.3188 4.3476 4.3476 4.4101 4.4101 4.5112 4.5112 5.1862 5.1862 5.1978 5.1978 5.3855 5.3855 5.4029 5.4029 9.8022 9.8022 9.8029 9.8029 12.0998 12.0998 12.1021 12.1021 14.5337 14.5337 14.5387 14.5387 k = 0.6126 0.1242-0.0830 ( 3766 PWs) bands (ev): -17.2658 -17.2658 -17.2658 -17.2658 -14.1270 -14.1270 -14.1267 -14.1267 -14.0248 -14.0248 -14.0246 -14.0246 -3.5398 -3.5398 -3.5388 -3.5388 -1.6980 -1.6980 -1.6976 -1.6976 -1.5460 -1.5460 -1.5459 -1.5459 -0.9634 -0.9634 -0.9612 -0.9612 1.7485 1.7485 1.7528 1.7528 2.0007 2.0007 2.0071 2.0071 2.8704 2.8704 2.8881 2.8881 3.1430 3.1430 3.1488 3.1488 3.3980 3.3980 3.4103 3.4103 4.1247 4.1247 4.1664 4.1664 4.3169 4.3169 4.3433 4.3433 4.4063 4.4063 4.5047 4.5047 5.1949 5.1949 5.2059 5.2059 5.3750 5.3750 5.3924 5.3924 9.7577 9.7577 9.7584 9.7584 12.0837 12.0837 12.0859 12.0859 14.6167 14.6167 14.6221 14.6221 k = 0.6051 0.1309-0.0677 ( 3766 PWs) bands (ev): -17.2689 -17.2689 -17.2689 -17.2689 -14.1201 -14.1201 -14.1198 -14.1198 -14.0246 -14.0246 -14.0243 -14.0243 -3.5624 -3.5624 -3.5615 -3.5615 -1.6921 -1.6921 -1.6918 -1.6918 -1.5534 -1.5534 -1.5534 -1.5534 -0.9661 -0.9661 -0.9641 -0.9641 1.7733 1.7733 1.7772 1.7772 1.9954 1.9954 2.0012 2.0012 2.9000 2.9000 2.9174 2.9174 3.1541 3.1541 3.1592 3.1592 3.3849 3.3849 3.3981 3.3981 4.1336 4.1336 4.1748 4.1748 4.3144 4.3144 4.3383 4.3383 4.4034 4.4034 4.4983 4.4983 5.2034 5.2034 5.2138 5.2138 5.3651 5.3651 5.3822 5.3822 9.7147 9.7147 9.7154 9.7154 12.0672 12.0672 12.0693 12.0693 14.7020 14.7020 14.7078 14.7078 k = 0.5976 0.1376-0.0523 ( 3754 PWs) bands (ev): -17.2720 -17.2720 -17.2719 -17.2719 -14.1132 -14.1132 -14.1130 -14.1130 -14.0245 -14.0245 -14.0242 -14.0242 -3.5838 -3.5838 -3.5830 -3.5830 -1.6865 -1.6865 -1.6862 -1.6862 -1.5609 -1.5609 -1.5608 -1.5608 -0.9684 -0.9684 -0.9665 -0.9665 1.7968 1.7968 1.8004 1.8004 1.9903 1.9903 1.9957 1.9957 2.9288 2.9288 2.9460 2.9460 3.1637 3.1637 3.1684 3.1684 3.3735 3.3735 3.3873 3.3873 4.1429 4.1429 4.1833 4.1833 4.3113 4.3113 4.3326 4.3326 4.4015 4.4015 4.4922 4.4922 5.2117 5.2117 5.2214 5.2214 5.3558 5.3558 5.3725 5.3725 9.6735 9.6735 9.6742 9.6742 12.0505 12.0505 12.0526 12.0526 14.7894 14.7894 14.7956 14.7956 k = 0.5901 0.1443-0.0370 ( 3756 PWs) bands (ev): -17.2748 -17.2748 -17.2748 -17.2748 -14.1065 -14.1065 -14.1063 -14.1063 -14.0246 -14.0246 -14.0243 -14.0243 -3.6041 -3.6041 -3.6033 -3.6033 -1.6811 -1.6811 -1.6808 -1.6808 -1.5684 -1.5684 -1.5683 -1.5683 -0.9705 -0.9705 -0.9687 -0.9687 1.8190 1.8190 1.8222 1.8222 1.9855 1.9855 1.9903 1.9903 2.9563 2.9563 2.9732 2.9732 3.1715 3.1715 3.1762 3.1762 3.3638 3.3638 3.3779 3.3779 4.1525 4.1525 4.1916 4.1916 4.3078 4.3078 4.3266 4.3266 4.4002 4.4002 4.4863 4.4863 5.2197 5.2197 5.2287 5.2287 5.3470 5.3470 5.3632 5.3632 9.6343 9.6343 9.6350 9.6350 12.0340 12.0340 12.0360 12.0360 14.8786 14.8786 14.8853 14.8853 k = 0.5826 0.1510-0.0217 ( 3758 PWs) bands (ev): -17.2776 -17.2776 -17.2775 -17.2775 -14.1000 -14.1000 -14.0998 -14.0998 -14.0249 -14.0249 -14.0246 -14.0246 -3.6230 -3.6230 -3.6223 -3.6223 -1.6758 -1.6758 -1.6756 -1.6756 -1.5758 -1.5758 -1.5757 -1.5757 -0.9722 -0.9722 -0.9706 -0.9706 1.8399 1.8399 1.8427 1.8427 1.9810 1.9810 1.9854 1.9854 2.9819 2.9819 2.9987 2.9987 3.1779 3.1779 3.1829 3.1829 3.3561 3.3561 3.3699 3.3699 4.1622 4.1622 4.1997 4.1997 4.3039 4.3039 4.3205 4.3205 4.3995 4.3995 4.4805 4.4805 5.2274 5.2274 5.2357 5.2357 5.3387 5.3387 5.3543 5.3543 9.5972 9.5972 9.5979 9.5979 12.0178 12.0178 12.0197 12.0197 14.9695 14.9695 14.9767 14.9767 k = 0.5751 0.1576-0.0063 ( 3754 PWs) bands (ev): -17.2801 -17.2801 -17.2801 -17.2801 -14.0936 -14.0936 -14.0934 -14.0934 -14.0254 -14.0254 -14.0252 -14.0252 -3.6405 -3.6405 -3.6398 -3.6398 -1.6709 -1.6709 -1.6707 -1.6707 -1.5829 -1.5829 -1.5829 -1.5829 -0.9736 -0.9736 -0.9722 -0.9722 1.8593 1.8593 1.8618 1.8618 1.9769 1.9769 1.9808 1.9808 3.0052 3.0052 3.0218 3.0218 3.1833 3.1833 3.1890 3.1890 3.3503 3.3503 3.3635 3.3635 4.1721 4.1721 4.2076 4.2076 4.2998 4.2998 4.3143 4.3143 4.3994 4.3994 4.4748 4.4748 5.2348 5.2348 5.2423 5.2423 5.3312 5.3312 5.3460 5.3460 9.5626 9.5626 9.5633 9.5633 12.0022 12.0022 12.0040 12.0040 15.0618 15.0618 15.0695 15.0695 k = 0.5676 0.1643 0.0090 ( 3752 PWs) bands (ev): -17.2824 -17.2824 -17.2824 -17.2824 -14.0875 -14.0875 -14.0873 -14.0873 -14.0261 -14.0261 -14.0259 -14.0259 -3.6566 -3.6566 -3.6560 -3.6560 -1.6662 -1.6662 -1.6660 -1.6660 -1.5898 -1.5898 -1.5897 -1.5897 -0.9749 -0.9749 -0.9735 -0.9735 1.8771 1.8771 1.8793 1.8793 1.9732 1.9732 1.9767 1.9767 3.0253 3.0253 3.0415 3.0415 3.1888 3.1888 3.1953 3.1953 3.3460 3.3460 3.3581 3.3581 4.1820 4.1820 4.2150 4.2150 4.2955 4.2955 4.3083 4.3083 4.3999 4.3999 4.4693 4.4693 5.2419 5.2419 5.2484 5.2484 5.3242 5.3242 5.3382 5.3382 9.5306 9.5306 9.5312 9.5312 11.9874 11.9874 11.9890 11.9890 15.1552 15.1552 15.1634 15.1634 k = 0.5601 0.1710 0.0243 ( 3750 PWs) bands (ev): -17.2846 -17.2846 -17.2845 -17.2845 -14.0815 -14.0815 -14.0813 -14.0813 -14.0271 -14.0271 -14.0269 -14.0269 -3.6712 -3.6712 -3.6706 -3.6706 -1.6617 -1.6617 -1.6616 -1.6616 -1.5963 -1.5963 -1.5962 -1.5962 -0.9759 -0.9759 -0.9747 -0.9747 1.8933 1.8933 1.8951 1.8951 1.9699 1.9699 1.9730 1.9730 3.0418 3.0418 3.0571 3.0571 3.1955 3.1955 3.2026 3.2026 3.3428 3.3428 3.3536 3.3536 4.1917 4.1917 4.2220 4.2220 4.2912 4.2912 4.3024 4.3024 4.4008 4.4008 4.4639 4.4639 5.2485 5.2485 5.2542 5.2542 5.3179 5.3179 5.3309 5.3309 9.5013 9.5013 9.5019 9.5019 11.9735 11.9735 11.9750 11.9750 15.2495 15.2495 15.2581 15.2581 k = 0.5526 0.1777 0.0397 ( 3746 PWs) bands (ev): -17.2865 -17.2865 -17.2865 -17.2865 -14.0759 -14.0759 -14.0757 -14.0757 -14.0283 -14.0283 -14.0281 -14.0281 -3.6841 -3.6841 -3.6836 -3.6836 -1.6575 -1.6575 -1.6574 -1.6574 -1.6024 -1.6024 -1.6023 -1.6023 -0.9767 -0.9767 -0.9757 -0.9757 1.9077 1.9077 1.9093 1.9093 1.9671 1.9671 1.9697 1.9697 3.0541 3.0541 3.0680 3.0680 3.2045 3.2045 3.2116 3.2116 3.3401 3.3401 3.3493 3.3493 4.2013 4.2013 4.2285 4.2285 4.2869 4.2869 4.2967 4.2967 4.4023 4.4023 4.4586 4.4586 5.2547 5.2547 5.2594 5.2594 5.3123 5.3123 5.3243 5.3243 9.4751 9.4751 9.4756 9.4756 11.9609 11.9609 11.9622 11.9622 15.3441 15.3441 15.3532 15.3532 k = 0.5451 0.1844 0.0550 ( 3748 PWs) bands (ev): -17.2882 -17.2882 -17.2882 -17.2882 -14.0705 -14.0705 -14.0703 -14.0703 -14.0298 -14.0298 -14.0296 -14.0296 -3.6955 -3.6955 -3.6950 -3.6950 -1.6536 -1.6536 -1.6535 -1.6535 -1.6081 -1.6081 -1.6080 -1.6080 -0.9774 -0.9774 -0.9765 -0.9765 1.9204 1.9204 1.9217 1.9217 1.9647 1.9647 1.9670 1.9670 3.0624 3.0624 3.0744 3.0744 3.2160 3.2160 3.2225 3.2225 3.3373 3.3373 3.3450 3.3450 4.2105 4.2105 4.2343 4.2343 4.2828 4.2828 4.2911 4.2911 4.4042 4.4042 4.4534 4.4534 5.2603 5.2603 5.2640 5.2640 5.3074 5.3074 5.3182 5.3182 9.4519 9.4519 9.4524 9.4524 11.9496 11.9496 11.9507 11.9507 15.4386 15.4386 15.4482 15.4482 k = 0.5375 0.1910 0.0704 ( 3750 PWs) bands (ev): -17.2896 -17.2896 -17.2896 -17.2896 -14.0654 -14.0654 -14.0652 -14.0652 -14.0315 -14.0315 -14.0313 -14.0313 -3.7052 -3.7052 -3.7048 -3.7048 -1.6500 -1.6500 -1.6499 -1.6499 -1.6133 -1.6133 -1.6132 -1.6132 -0.9779 -0.9779 -0.9772 -0.9772 1.9311 1.9311 1.9321 1.9321 1.9629 1.9629 1.9648 1.9648 3.0674 3.0674 3.0771 3.0771 3.2294 3.2294 3.2350 3.2350 3.3340 3.3340 3.3401 3.3401 4.2192 4.2192 4.2394 4.2394 4.2788 4.2788 4.2858 4.2858 4.4066 4.4066 4.4483 4.4483 5.2653 5.2653 5.2680 5.2680 5.3033 5.3033 5.3128 5.3128 9.4321 9.4321 9.4325 9.4325 11.9397 11.9397 11.9407 11.9407 15.5323 15.5323 15.5422 15.5422 k = 0.5300 0.1977 0.0857 ( 3746 PWs) bands (ev): -17.2908 -17.2908 -17.2908 -17.2908 -14.0606 -14.0606 -14.0604 -14.0604 -14.0335 -14.0335 -14.0333 -14.0333 -3.7131 -3.7131 -3.7128 -3.7128 -1.6466 -1.6466 -1.6465 -1.6465 -1.6180 -1.6180 -1.6179 -1.6179 -0.9783 -0.9783 -0.9777 -0.9777 1.9397 1.9397 1.9405 1.9405 1.9618 1.9618 1.9632 1.9632 3.0700 3.0700 3.0775 3.0775 3.2439 3.2439 3.2485 3.2485 3.3298 3.3298 3.3344 3.3344 4.2275 4.2275 4.2440 4.2440 4.2750 4.2750 4.2805 4.2805 4.4095 4.4095 4.4433 4.4433 5.2696 5.2696 5.2714 5.2714 5.3000 5.3000 5.3081 5.3081 9.4157 9.4157 9.4160 9.4160 11.9315 11.9315 11.9323 11.9323 15.6238 15.6238 15.6341 15.6341 k = 0.5225 0.2044 0.1010 ( 3740 PWs) bands (ev): -17.2917 -17.2917 -17.2917 -17.2917 -14.0561 -14.0561 -14.0560 -14.0560 -14.0358 -14.0358 -14.0356 -14.0356 -3.7193 -3.7193 -3.7191 -3.7191 -1.6433 -1.6433 -1.6433 -1.6433 -1.6222 -1.6222 -1.6222 -1.6222 -0.9786 -0.9786 -0.9782 -0.9782 1.9460 1.9460 1.9465 1.9465 1.9614 1.9614 1.9625 1.9625 3.0713 3.0713 3.0767 3.0767 3.2585 3.2585 3.2621 3.2621 3.3244 3.3244 3.3276 3.3276 4.2352 4.2352 4.2481 4.2481 4.2715 4.2715 4.2754 4.2754 4.4128 4.4128 4.4384 4.4384 5.2731 5.2731 5.2742 5.2742 5.2976 5.2976 5.3041 5.3041 9.4028 9.4028 9.4031 9.4031 11.9251 11.9251 11.9257 11.9257 15.7110 15.7110 15.7212 15.7212 k = 0.5150 0.2111 0.1164 ( 3734 PWs) bands (ev): -17.2924 -17.2924 -17.2924 -17.2924 -14.0520 -14.0520 -14.0518 -14.0518 -14.0384 -14.0384 -14.0383 -14.0383 -3.7238 -3.7238 -3.7236 -3.7236 -1.6403 -1.6403 -1.6402 -1.6402 -1.6260 -1.6260 -1.6260 -1.6260 -0.9788 -0.9788 -0.9785 -0.9785 1.9498 1.9498 1.9501 1.9501 1.9620 1.9620 1.9626 1.9626 3.0718 3.0718 3.0753 3.0753 3.2727 3.2727 3.2752 3.2752 3.3177 3.3177 3.3196 3.3196 4.2423 4.2423 4.2514 4.2514 4.2683 4.2683 4.2704 4.2704 4.4164 4.4164 4.4336 4.4336 5.2757 5.2757 5.2763 5.2763 5.2962 5.2962 5.3008 5.3008 9.3935 9.3935 9.3938 9.3938 11.9204 11.9204 11.9208 11.9208 15.7895 15.7895 15.7987 15.7987 k = 0.5075 0.2177 0.1317 ( 3732 PWs) bands (ev): -17.2928 -17.2928 -17.2928 -17.2928 -14.0481 -14.0481 -14.0480 -14.0480 -14.0413 -14.0413 -14.0411 -14.0411 -3.7264 -3.7264 -3.7264 -3.7264 -1.6375 -1.6375 -1.6374 -1.6374 -1.6293 -1.6293 -1.6292 -1.6292 -0.9789 -0.9789 -0.9787 -0.9787 1.9515 1.9515 1.9517 1.9517 1.9629 1.9629 1.9632 1.9632 3.0723 3.0723 3.0740 3.0740 3.2858 3.2858 3.2872 3.2872 3.3098 3.3098 3.3105 3.3105 4.2484 4.2484 4.2536 4.2536 4.2655 4.2655 4.2663 4.2663 4.4203 4.4203 4.4290 4.4290 5.2771 5.2771 5.2778 5.2778 5.2958 5.2958 5.2983 5.2983 9.3880 9.3880 9.3881 9.3881 11.9177 11.9177 11.9179 11.9179 15.8499 15.8499 15.8560 15.8560 k = 0.5000 0.2244 0.1471 ( 3724 PWs) bands (ev): -17.2929 -17.2929 -17.2929 -17.2929 -14.0449 -14.0449 -14.0449 -14.0449 -14.0440 -14.0440 -14.0440 -14.0440 -3.7273 -3.7273 -3.7273 -3.7273 -1.6359 -1.6359 -1.6359 -1.6359 -1.6310 -1.6310 -1.6310 -1.6310 -0.9788 -0.9788 -0.9788 -0.9788 1.9520 1.9520 1.9522 1.9522 1.9634 1.9634 1.9636 1.9636 3.0729 3.0729 3.0730 3.0730 3.2947 3.2947 3.2948 3.2948 3.3032 3.3032 3.3033 3.3033 4.2525 4.2525 4.2532 4.2532 4.2639 4.2639 4.2647 4.2647 4.4242 4.4242 4.4250 4.4250 5.2776 5.2776 5.2783 5.2783 5.2963 5.2963 5.2969 5.2969 9.3861 9.3861 9.3862 9.3862 11.9168 11.9168 11.9169 11.9169 15.8760 15.8760 15.8761 15.8761 k = 0.5000 0.2244 0.1471 ( 3724 PWs) bands (ev): -17.2929 -17.2929 -17.2929 -17.2929 -14.0449 -14.0449 -14.0449 -14.0449 -14.0440 -14.0440 -14.0440 -14.0440 -3.7273 -3.7273 -3.7273 -3.7273 -1.6359 -1.6359 -1.6359 -1.6359 -1.6310 -1.6310 -1.6310 -1.6310 -0.9788 -0.9788 -0.9788 -0.9788 1.9520 1.9520 1.9522 1.9522 1.9634 1.9634 1.9636 1.9636 3.0729 3.0729 3.0730 3.0730 3.2947 3.2947 3.2948 3.2948 3.3032 3.3032 3.3033 3.3033 4.2525 4.2525 4.2532 4.2532 4.2639 4.2639 4.2647 4.2647 4.4242 4.4242 4.4250 4.4250 5.2776 5.2776 5.2783 5.2783 5.2963 5.2963 5.2969 5.2969 9.3861 9.3861 9.3862 9.3862 11.9168 11.9168 11.9169 11.9169 15.8760 15.8760 15.8761 15.8761 k = 0.4839 0.2172 0.1423 ( 3724 PWs) bands (ev): -17.3026 -17.3026 -17.2833 -17.2833 -14.0484 -14.0484 -14.0475 -14.0475 -14.0414 -14.0414 -14.0405 -14.0405 -3.7323 -3.7323 -3.7217 -3.7217 -1.6389 -1.6389 -1.6341 -1.6341 -1.6330 -1.6330 -1.6280 -1.6280 -1.0309 -1.0309 -0.9274 -0.9274 1.9361 1.9361 1.9478 1.9478 1.9685 1.9685 1.9796 1.9796 3.0485 3.0485 3.0974 3.0974 3.2696 3.2696 3.2779 3.2779 3.3200 3.3200 3.3286 3.3286 4.2519 4.2519 4.2533 4.2533 4.2609 4.2609 4.2675 4.2675 4.4237 4.4237 4.4256 4.4256 5.2566 5.2566 5.2742 5.2742 5.2994 5.2994 5.3190 5.3190 9.3643 9.3643 9.4089 9.4089 11.8365 11.8365 11.9978 11.9978 15.8758 15.8758 15.8785 15.8785 k = 0.4677 0.2099 0.1376 ( 3724 PWs) bands (ev): -17.3122 -17.3122 -17.2736 -17.2736 -14.0519 -14.0519 -14.0510 -14.0510 -14.0380 -14.0380 -14.0370 -14.0370 -3.7367 -3.7367 -3.7154 -3.7154 -1.6420 -1.6420 -1.6373 -1.6373 -1.6303 -1.6303 -1.6252 -1.6252 -1.0834 -1.0834 -0.8767 -0.8767 1.9206 1.9206 1.9327 1.9327 1.9855 1.9855 1.9961 1.9961 3.0243 3.0243 3.1220 3.1220 3.2445 3.2445 3.2526 3.2526 3.3454 3.3454 3.3540 3.3540 4.2508 4.2508 4.2532 4.2532 4.2573 4.2573 4.2705 4.2705 4.4230 4.4230 4.4265 4.4265 5.2354 5.2354 5.2520 5.2520 5.3208 5.3208 5.3414 5.3414 9.3435 9.3435 9.4323 9.4323 11.7570 11.7570 12.0795 12.0795 15.8775 15.8775 15.8831 15.8831 k = 0.4516 0.2027 0.1328 ( 3754 PWs) bands (ev): -17.3218 -17.3218 -17.2640 -17.2640 -14.0554 -14.0554 -14.0545 -14.0545 -14.0345 -14.0345 -14.0335 -14.0335 -3.7405 -3.7405 -3.7085 -3.7085 -1.6452 -1.6452 -1.6406 -1.6406 -1.6277 -1.6277 -1.6226 -1.6226 -1.1362 -1.1362 -0.8268 -0.8268 1.9056 1.9056 1.9179 1.9179 2.0028 2.0028 2.0131 2.0131 3.0002 3.0002 3.1463 3.1463 3.2199 3.2199 3.2273 3.2273 3.3707 3.3707 3.3793 3.3793 4.2491 4.2491 4.2527 4.2527 4.2534 4.2534 4.2732 4.2732 4.4223 4.4223 4.4274 4.4274 5.2142 5.2142 5.2298 5.2298 5.3420 5.3420 5.3636 5.3636 9.3236 9.3236 9.4563 9.4563 11.6784 11.6784 12.1618 12.1618 15.8810 15.8810 15.8901 15.8901 k = 0.4355 0.1955 0.1281 ( 3754 PWs) bands (ev): -17.3312 -17.3312 -17.2544 -17.2544 -14.0588 -14.0588 -14.0579 -14.0579 -14.0310 -14.0310 -14.0300 -14.0300 -3.7438 -3.7438 -3.7010 -3.7010 -1.6485 -1.6485 -1.6440 -1.6440 -1.6253 -1.6253 -1.6201 -1.6201 -1.1894 -1.1894 -0.7779 -0.7779 1.8911 1.8911 1.9038 1.9038 2.0207 2.0207 2.0306 2.0306 2.9765 2.9765 3.1687 3.1687 3.1975 3.1975 3.2022 3.2022 3.3960 3.3960 3.4046 3.4046 4.2471 4.2471 4.2494 4.2494 4.2518 4.2518 4.2757 4.2757 4.4218 4.4218 4.4286 4.4286 5.1934 5.1934 5.2079 5.2079 5.3633 5.3633 5.3857 5.3857 9.3050 9.3050 9.4809 9.4809 11.6006 11.6006 12.2446 12.2446 15.8859 15.8859 15.8996 15.8996 k = 0.4194 0.1882 0.1233 ( 3760 PWs) bands (ev): -17.3406 -17.3406 -17.2449 -17.2449 -14.0622 -14.0622 -14.0613 -14.0613 -14.0276 -14.0276 -14.0265 -14.0265 -3.7466 -3.7466 -3.6928 -3.6928 -1.6519 -1.6519 -1.6475 -1.6475 -1.6230 -1.6230 -1.6177 -1.6177 -1.2426 -1.2426 -0.7299 -0.7299 1.8772 1.8772 1.8901 1.8901 2.0389 2.0389 2.0484 2.0484 2.9530 2.9530 3.1655 3.1655 3.1772 3.1772 3.2008 3.2008 3.4212 3.4212 3.4298 3.4298 4.2446 4.2446 4.2452 4.2452 4.2506 4.2506 4.2781 4.2781 4.4213 4.4213 4.4299 4.4299 5.1729 5.1729 5.1863 5.1863 5.3844 5.3844 5.4077 5.4077 9.2877 9.2877 9.5058 9.5058 11.5239 11.5239 12.3279 12.3279 15.8919 15.8919 15.9115 15.9115 k = 0.4032 0.1810 0.1186 ( 3766 PWs) bands (ev): -17.3497 -17.3497 -17.2355 -17.2355 -14.0655 -14.0655 -14.0647 -14.0647 -14.0242 -14.0242 -14.0231 -14.0231 -3.7488 -3.7488 -3.6839 -3.6839 -1.6554 -1.6554 -1.6511 -1.6511 -1.6209 -1.6209 -1.6156 -1.6156 -1.2959 -1.2959 -0.6832 -0.6832 1.8638 1.8638 1.8770 1.8770 2.0574 2.0574 2.0665 2.0665 2.9298 2.9298 3.1425 3.1425 3.1523 3.1523 3.2241 3.2241 3.4464 3.4464 3.4549 3.4549 4.2407 4.2407 4.2418 4.2418 4.2489 4.2489 4.2803 4.2803 4.4209 4.4209 4.4313 4.4313 5.1527 5.1527 5.1650 5.1650 5.4052 5.4052 5.4294 5.4294 9.2717 9.2717 9.5309 9.5309 11.4481 11.4481 12.4117 12.4117 15.8983 15.8983 15.9260 15.9260 k = 0.3871 0.1737 0.1138 ( 3772 PWs) bands (ev): -17.3588 -17.3588 -17.2262 -17.2262 -14.0688 -14.0688 -14.0680 -14.0680 -14.0208 -14.0208 -14.0197 -14.0197 -3.7506 -3.7506 -3.6744 -3.6744 -1.6590 -1.6590 -1.6547 -1.6547 -1.6190 -1.6190 -1.6135 -1.6135 -1.3490 -1.3490 -0.6376 -0.6376 1.8509 1.8509 1.8644 1.8644 2.0764 2.0764 2.0851 2.0851 2.9071 2.9071 3.1184 3.1184 3.1276 3.1276 3.2487 3.2487 3.4714 3.4714 3.4798 3.4798 4.2360 4.2360 4.2386 4.2386 4.2469 4.2469 4.2823 4.2823 4.4205 4.4205 4.4327 4.4327 5.1329 5.1329 5.1440 5.1440 5.4258 5.4258 5.4508 5.4508 9.2571 9.2571 9.5562 9.5562 11.3734 11.3734 12.4958 12.4958 15.9045 15.9045 15.9429 15.9429 k = 0.3710 0.1665 0.1091 ( 3772 PWs) bands (ev): -17.3676 -17.3676 -17.2171 -17.2171 -14.0720 -14.0720 -14.0712 -14.0712 -14.0176 -14.0176 -14.0164 -14.0164 -3.7519 -3.7519 -3.6643 -3.6643 -1.6625 -1.6625 -1.6584 -1.6584 -1.6172 -1.6172 -1.6117 -1.6117 -1.4019 -1.4019 -0.5934 -0.5934 1.8386 1.8386 1.8524 1.8524 2.0957 2.0957 2.1039 2.1039 2.8847 2.8847 3.0941 3.0941 3.1030 3.1030 3.2736 3.2736 3.4963 3.4963 3.5045 3.5045 4.2311 4.2311 4.2349 4.2349 4.2445 4.2445 4.2842 4.2842 4.4202 4.4202 4.4343 4.4343 5.1135 5.1135 5.1235 5.1235 5.4460 5.4460 5.4719 5.4719 9.2441 9.2441 9.5814 9.5814 11.2998 11.2998 12.5802 12.5802 15.9093 15.9093 15.9622 15.9622 k = 0.3548 0.1593 0.1044 ( 3771 PWs) bands (ev): -17.3762 -17.3762 -17.2081 -17.2081 -14.0751 -14.0751 -14.0744 -14.0744 -14.0143 -14.0143 -14.0132 -14.0132 -3.7528 -3.7528 -3.6535 -3.6535 -1.6661 -1.6661 -1.6620 -1.6620 -1.6156 -1.6156 -1.6100 -1.6100 -1.4544 -1.4544 -0.5506 -0.5506 1.8269 1.8269 1.8409 1.8409 2.1152 2.1152 2.1231 2.1231 2.8629 2.8629 3.0700 3.0700 3.0786 3.0786 3.2986 3.2986 3.5209 3.5209 3.5291 3.5291 4.2260 4.2260 4.2308 4.2308 4.2416 4.2416 4.2858 4.2858 4.4199 4.4199 4.4360 4.4360 5.0946 5.0946 5.1035 5.1035 5.4658 5.4658 5.4925 5.4925 9.2327 9.2327 9.6066 9.6066 11.2275 11.2275 12.6648 12.6648 15.9115 15.9115 15.9840 15.9840 k = 0.3387 0.1520 0.0996 ( 3771 PWs) bands (ev): -17.3847 -17.3847 -17.1994 -17.1994 -14.0781 -14.0781 -14.0774 -14.0774 -14.0112 -14.0112 -14.0100 -14.0100 -3.7534 -3.7534 -3.6421 -3.6421 -1.6697 -1.6697 -1.6657 -1.6657 -1.6142 -1.6142 -1.6085 -1.6085 -1.5064 -1.5064 -0.5093 -0.5093 1.8158 1.8158 1.8300 1.8300 2.1351 2.1351 2.1425 2.1425 2.8415 2.8415 3.0460 3.0460 3.0544 3.0544 3.3235 3.3235 3.5454 3.5454 3.5533 3.5533 4.2206 4.2206 4.2263 4.2263 4.2384 4.2384 4.2873 4.2873 4.4196 4.4196 4.4377 4.4377 5.0763 5.0763 5.0841 5.0841 5.4852 5.4852 5.5127 5.5127 9.2229 9.2229 9.6314 9.6314 11.1564 11.1564 12.7495 12.7495 15.9092 15.9092 16.0081 16.0081 k = 0.3226 0.1448 0.0949 ( 3771 PWs) bands (ev): -17.3928 -17.3928 -17.1908 -17.1908 -14.0811 -14.0811 -14.0804 -14.0804 -14.0081 -14.0081 -14.0069 -14.0069 -3.7536 -3.7536 -3.6301 -3.6301 -1.6733 -1.6733 -1.6694 -1.6694 -1.6129 -1.6129 -1.6071 -1.6071 -1.5578 -1.5578 -0.4696 -0.4696 1.8052 1.8052 1.8196 1.8196 2.1552 2.1552 2.1621 2.1621 2.8207 2.8207 3.0222 3.0222 3.0303 3.0303 3.3484 3.3484 3.5695 3.5695 3.5773 3.5773 4.2150 4.2150 4.2214 4.2214 4.2348 4.2348 4.2886 4.2886 4.4194 4.4194 4.4395 4.4395 5.0586 5.0586 5.0652 5.0652 5.5041 5.5041 5.5323 5.5323 9.2147 9.2147 9.6560 9.6560 11.0867 11.0867 12.8343 12.8343 15.9003 15.9003 16.0343 16.0343 k = 0.3065 0.1376 0.0901 ( 3774 PWs) bands (ev): -17.4007 -17.4007 -17.1826 -17.1826 -14.0840 -14.0840 -14.0833 -14.0833 -14.0051 -14.0051 -14.0039 -14.0039 -3.7535 -3.7535 -3.6176 -3.6176 -1.6768 -1.6768 -1.6730 -1.6730 -1.6117 -1.6117 -1.6085 -1.6085 -1.6057 -1.6057 -0.4315 -0.4315 1.7952 1.7952 1.8098 1.8098 2.1756 2.1756 2.1821 2.1821 2.8005 2.8005 2.9985 2.9985 3.0065 3.0065 3.3732 3.3732 3.5934 3.5934 3.6010 3.6010 4.2092 4.2092 4.2160 4.2160 4.2308 4.2308 4.2897 4.2897 4.4191 4.4191 4.4413 4.4413 5.0414 5.0414 5.0468 5.0468 5.5224 5.5224 5.5514 5.5514 9.2082 9.2082 9.6800 9.6800 11.0184 11.0184 12.9190 12.9190 15.8827 15.8827 16.0613 16.0613 k = 0.2903 0.1303 0.0854 ( 3765 PWs) bands (ev): -17.4083 -17.4083 -17.1746 -17.1746 -14.0867 -14.0867 -14.0861 -14.0861 -14.0022 -14.0022 -14.0010 -14.0010 -3.7531 -3.7531 -3.6046 -3.6046 -1.6803 -1.6803 -1.6769 -1.6769 -1.6578 -1.6578 -1.6107 -1.6107 -1.6048 -1.6048 -0.3952 -0.3952 1.7857 1.7857 1.8005 1.8005 2.1962 2.1962 2.2022 2.2022 2.7809 2.7809 2.9751 2.9751 2.9828 2.9828 3.3978 3.3978 3.6169 3.6169 3.6243 3.6243 4.2031 4.2031 4.2103 4.2103 4.2265 4.2265 4.2908 4.2908 4.4190 4.4190 4.4432 4.4432 5.0250 5.0250 5.0293 5.0293 5.5401 5.5401 5.5698 5.5698 9.2034 9.2034 9.7035 9.7035 10.9517 10.9517 13.0035 13.0035 15.8544 15.8544 16.0820 16.0820 k = 0.2742 0.1231 0.0806 ( 3777 PWs) bands (ev): -17.4156 -17.4156 -17.1669 -17.1669 -14.0894 -14.0894 -14.0887 -14.0887 -13.9995 -13.9995 -13.9982 -13.9982 -3.7525 -3.7525 -3.5912 -3.5912 -1.7072 -1.7072 -1.6837 -1.6837 -1.6797 -1.6797 -1.6098 -1.6098 -1.6039 -1.6039 -0.3606 -0.3606 1.7768 1.7768 1.7918 1.7918 2.2169 2.2169 2.2224 2.2224 2.7621 2.7621 2.9518 2.9518 2.9593 2.9593 3.4222 3.4222 3.6399 3.6399 3.6471 3.6471 4.1967 4.1967 4.2042 4.2042 4.2217 4.2217 4.2916 4.2916 4.4188 4.4188 4.4450 4.4450 5.0092 5.0092 5.0123 5.0123 5.5571 5.5571 5.5875 5.5875 9.2003 9.2003 9.7263 9.7263 10.8867 10.8867 13.0879 13.0879 15.8146 15.8146 16.0846 16.0846 k = 0.2581 0.1158 0.0759 ( 3768 PWs) bands (ev): -17.4226 -17.4226 -17.1595 -17.1595 -14.0919 -14.0919 -14.0913 -14.0913 -13.9968 -13.9968 -13.9955 -13.9955 -3.7517 -3.7517 -3.5774 -3.5774 -1.7544 -1.7544 -1.6870 -1.6870 -1.6832 -1.6832 -1.6091 -1.6091 -1.6031 -1.6031 -0.3279 -0.3279 1.7685 1.7685 1.7836 1.7836 2.2378 2.2378 2.2429 2.2429 2.7441 2.7441 2.9287 2.9287 2.9360 2.9360 3.4463 3.4463 3.6626 3.6626 3.6696 3.6696 4.1902 4.1902 4.1977 4.1977 4.2166 4.2166 4.2923 4.2923 4.4186 4.4186 4.4470 4.4470 4.9942 4.9942 4.9962 4.9962 5.5735 5.5735 5.6045 5.6045 9.1988 9.1988 9.7484 9.7484 10.8234 10.8234 13.1720 13.1720 15.7638 15.7638 16.0815 16.0815 k = 0.2419 0.1086 0.0712 ( 3768 PWs) bands (ev): -17.4292 -17.4292 -17.1524 -17.1524 -14.0943 -14.0943 -14.0937 -14.0937 -13.9943 -13.9943 -13.9930 -13.9930 -3.7507 -3.7507 -3.5633 -3.5633 -1.8005 -1.8005 -1.6902 -1.6902 -1.6866 -1.6866 -1.6085 -1.6085 -1.6024 -1.6024 -0.2970 -0.2970 1.7607 1.7607 1.7759 1.7759 2.2588 2.2588 2.2635 2.2635 2.7268 2.7268 2.9058 2.9058 2.9129 2.9129 3.4700 3.4700 3.6847 3.6847 3.6916 3.6916 4.1834 4.1834 4.1908 4.1908 4.2112 4.2112 4.2928 4.2928 4.4184 4.4184 4.4488 4.4488 4.9800 4.9800 4.9808 4.9808 5.5890 5.5890 5.6207 5.6207 9.1989 9.1989 9.7696 9.7696 10.7620 10.7620 13.2558 13.2558 15.7036 15.7036 16.0776 16.0776 k = 0.2258 0.1014 0.0664 ( 3771 PWs) bands (ev): -17.4355 -17.4355 -17.1457 -17.1457 -14.0966 -14.0966 -14.0960 -14.0960 -13.9919 -13.9919 -13.9906 -13.9906 -3.7496 -3.7496 -3.5490 -3.5490 -1.8451 -1.8451 -1.6933 -1.6933 -1.6897 -1.6897 -1.6079 -1.6079 -1.6018 -1.6018 -0.2680 -0.2680 1.7534 1.7534 1.7688 1.7688 2.2800 2.2800 2.2841 2.2841 2.7104 2.7104 2.8832 2.8832 2.8900 2.8900 3.4934 3.4934 3.7063 3.7063 3.7130 3.7130 4.1764 4.1764 4.1836 4.1836 4.2054 4.2054 4.2933 4.2933 4.4182 4.4182 4.4506 4.4506 4.9662 4.9662 4.9665 4.9665 5.6038 5.6038 5.6360 5.6360 9.2006 9.2006 9.7898 9.7898 10.7026 10.7026 13.3391 13.3391 15.6359 15.6359 16.0738 16.0738 k = 0.2097 0.0941 0.0617 ( 3765 PWs) bands (ev): -17.4414 -17.4414 -17.1394 -17.1394 -14.0987 -14.0987 -14.0982 -14.0982 -13.9896 -13.9896 -13.9883 -13.9883 -3.7485 -3.7485 -3.5347 -3.5347 -1.8880 -1.8880 -1.6963 -1.6963 -1.6928 -1.6928 -1.6075 -1.6075 -1.6013 -1.6013 -0.2409 -0.2409 1.7467 1.7467 1.7622 1.7622 2.3012 2.3012 2.3049 2.3049 2.6949 2.6949 2.8607 2.8607 2.8673 2.8673 3.5162 3.5162 3.7273 3.7273 3.7339 3.7339 4.1691 4.1691 4.1760 4.1760 4.1994 4.1994 4.2936 4.2936 4.4180 4.4180 4.4525 4.4525 4.9525 4.9525 4.9539 4.9539 5.6178 5.6178 5.6505 5.6505 9.2036 9.2036 9.8090 9.8090 10.6455 10.6455 13.4219 13.4219 15.5630 15.5630 16.0702 16.0702 k = 0.1935 0.0869 0.0569 ( 3750 PWs) bands (ev): -17.4469 -17.4469 -17.1335 -17.1335 -14.1007 -14.1007 -14.1002 -14.1002 -13.9875 -13.9875 -13.9861 -13.9861 -3.7472 -3.7472 -3.5203 -3.5203 -1.9290 -1.9290 -1.6991 -1.6991 -1.6956 -1.6956 -1.6072 -1.6072 -1.6010 -1.6010 -0.2159 -0.2159 1.7405 1.7405 1.7562 1.7562 2.3225 2.3225 2.3258 2.3258 2.6804 2.6804 2.8384 2.8384 2.8448 2.8448 3.5384 3.5384 3.7476 3.7476 3.7541 3.7541 4.1618 4.1618 4.1682 4.1682 4.1931 4.1931 4.2939 4.2939 4.4179 4.4179 4.4542 4.4542 4.9397 4.9397 4.9422 4.9422 5.6309 5.6309 5.6642 5.6642 9.2080 9.2080 9.8271 9.8271 10.5908 10.5908 13.5042 13.5042 15.4865 15.4865 16.0670 16.0670 k = 0.1774 0.0796 0.0522 ( 3750 PWs) bands (ev): -17.4521 -17.4521 -17.1279 -17.1279 -14.1026 -14.1026 -14.1020 -14.1020 -13.9855 -13.9855 -13.9841 -13.9841 -3.7459 -3.7459 -3.5061 -3.5061 -1.9679 -1.9679 -1.7017 -1.7017 -1.6983 -1.6983 -1.6069 -1.6069 -1.6007 -1.6007 -0.1927 -0.1927 1.7349 1.7349 1.7506 1.7506 2.3439 2.3439 2.3467 2.3467 2.6668 2.6668 2.8163 2.8163 2.8224 2.8224 3.5599 3.5599 3.7672 3.7672 3.7736 3.7736 4.1542 4.1542 4.1603 4.1603 4.1866 4.1866 4.2941 4.2941 4.4177 4.4177 4.4559 4.4559 4.9278 4.9278 4.9313 4.9313 5.6431 5.6431 5.6768 5.6768 9.2135 9.2135 9.8440 9.8440 10.5387 10.5387 13.5858 13.5858 15.4078 15.4078 16.0641 16.0641 k = 0.1613 0.0724 0.0474 ( 3744 PWs) bands (ev): -17.4568 -17.4568 -17.1228 -17.1228 -14.1043 -14.1043 -14.1038 -14.1038 -13.9836 -13.9836 -13.9823 -13.9823 -3.7447 -3.7447 -3.4922 -3.4922 -2.0046 -2.0046 -1.7042 -1.7042 -1.7008 -1.7008 -1.6067 -1.6067 -1.6004 -1.6004 -0.1716 -0.1716 1.7297 1.7297 1.7456 1.7456 2.3653 2.3653 2.3676 2.3676 2.6543 2.6543 2.7943 2.7943 2.8002 2.8002 3.5806 3.5806 3.7860 3.7860 3.7924 3.7924 4.1465 4.1465 4.1522 4.1522 4.1799 4.1799 4.2941 4.2941 4.4176 4.4176 4.4574 4.4574 4.9169 4.9169 4.9213 4.9213 5.6543 5.6543 5.6885 5.6885 9.2201 9.2201 9.8596 9.8596 10.4895 10.4895 13.6668 13.6668 15.3279 15.3279 16.0615 16.0615 k = 0.1452 0.0652 0.0427 ( 3750 PWs) bands (ev): -17.4611 -17.4611 -17.1182 -17.1182 -14.1059 -14.1059 -14.1054 -14.1054 -13.9820 -13.9820 -13.9806 -13.9806 -3.7434 -3.7434 -3.4788 -3.4788 -2.0387 -2.0387 -1.7064 -1.7064 -1.7031 -1.7031 -1.6066 -1.6066 -1.6003 -1.6003 -0.1525 -0.1525 1.7251 1.7251 1.7410 1.7410 2.3867 2.3867 2.3886 2.3886 2.6428 2.6428 2.7725 2.7725 2.7781 2.7781 3.6002 3.6002 3.8037 3.8037 3.8103 3.8103 4.1386 4.1386 4.1441 4.1441 4.1731 4.1731 4.2941 4.2941 4.4174 4.4174 4.4589 4.4589 4.9069 4.9069 4.9122 4.9122 5.6645 5.6645 5.6991 5.6991 9.2274 9.2274 9.8740 9.8740 10.4433 10.4433 13.7471 13.7471 15.2475 15.2475 16.0593 16.0593 k = 0.1290 0.0579 0.0379 ( 3753 PWs) bands (ev): -17.4650 -17.4650 -17.1140 -17.1140 -14.1073 -14.1073 -14.1068 -14.1068 -13.9805 -13.9805 -13.9791 -13.9791 -3.7422 -3.7422 -3.4660 -3.4660 -2.0702 -2.0702 -1.7085 -1.7085 -1.7052 -1.7052 -1.6065 -1.6065 -1.6001 -1.6001 -0.1354 -0.1354 1.7209 1.7209 1.7369 1.7369 2.4080 2.4080 2.4096 2.4096 2.6325 2.6325 2.7508 2.7508 2.7561 2.7561 3.6186 3.6186 3.8205 3.8205 3.8272 3.8272 4.1308 4.1308 4.1361 4.1361 4.1663 4.1663 4.2941 4.2941 4.4172 4.4172 4.4602 4.4602 4.8979 4.8979 4.9040 4.9040 5.6737 5.6737 5.7087 5.7087 9.2352 9.2352 9.8869 9.8869 10.4006 10.4006 13.8265 13.8265 15.1672 15.1672 16.0573 16.0573 k = 0.1129 0.0507 0.0332 ( 3753 PWs) bands (ev): -17.4684 -17.4684 -17.1102 -17.1102 -14.1085 -14.1085 -14.1080 -14.1080 -13.9791 -13.9791 -13.9777 -13.9777 -3.7411 -3.7411 -3.4541 -3.4541 -2.0987 -2.0987 -1.7103 -1.7103 -1.7071 -1.7071 -1.6065 -1.6065 -1.6000 -1.6000 -0.1203 -0.1203 1.7173 1.7173 1.7334 1.7334 2.4294 2.4294 2.4306 2.4306 2.6232 2.6232 2.7292 2.7292 2.7343 2.7343 3.6357 3.6357 3.8360 3.8360 3.8430 3.8430 4.1231 4.1231 4.1283 4.1283 4.1597 4.1597 4.2940 4.2940 4.4170 4.4170 4.4614 4.4614 4.8899 4.8899 4.8968 4.8968 5.6819 5.6819 5.7172 5.7172 9.2432 9.2432 9.8985 9.8985 10.3617 10.3617 13.9049 13.9049 15.0874 15.0874 16.0556 16.0556 k = 0.0968 0.0434 0.0285 ( 3750 PWs) bands (ev): -17.4714 -17.4714 -17.1070 -17.1070 -14.1096 -14.1096 -14.1091 -14.1091 -13.9780 -13.9780 -13.9765 -13.9765 -3.7401 -3.7401 -3.4432 -3.4432 -2.1240 -2.1240 -1.7120 -1.7120 -1.7087 -1.7087 -1.6064 -1.6064 -1.6000 -1.6000 -0.1073 -0.1073 1.7142 1.7142 1.7303 1.7303 2.4508 2.4508 2.4516 2.4516 2.6151 2.6151 2.7078 2.7078 2.7127 2.7127 3.6512 3.6512 3.8502 3.8502 3.8576 3.8576 4.1155 4.1155 4.1211 4.1211 4.1533 4.1533 4.2939 4.2939 4.4169 4.4169 4.4625 4.4625 4.8830 4.8830 4.8905 4.8905 5.6891 5.6891 5.7247 5.7247 9.2512 9.2512 9.9086 9.9086 10.3269 10.3269 13.9821 13.9821 15.0088 15.0088 16.0542 16.0542 k = 0.0806 0.0362 0.0237 ( 3750 PWs) bands (ev): -17.4740 -17.4740 -17.1042 -17.1042 -14.1106 -14.1106 -14.1101 -14.1101 -13.9770 -13.9770 -13.9755 -13.9755 -3.7392 -3.7392 -3.4336 -3.4336 -2.1459 -2.1459 -1.7133 -1.7133 -1.7101 -1.7101 -1.6064 -1.6064 -1.6000 -1.6000 -0.0962 -0.0962 1.7116 1.7116 1.7277 1.7277 2.4720 2.4720 2.4726 2.4726 2.6082 2.6082 2.6866 2.6866 2.6912 2.6912 3.6649 3.6649 3.8629 3.8629 3.8707 3.8707 4.1084 4.1084 4.1143 4.1143 4.1473 4.1473 4.2938 4.2938 4.4168 4.4168 4.4634 4.4634 4.8771 4.8771 4.8852 4.8852 5.6952 5.6952 5.7310 5.7310 9.2588 9.2588 9.9172 9.9172 10.2965 10.2965 14.0577 14.0577 14.9317 14.9317 16.0530 16.0530 k = 0.0645 0.0290 0.0190 ( 3759 PWs) bands (ev): -17.4761 -17.4761 -17.1019 -17.1019 -14.1113 -14.1113 -14.1108 -14.1108 -13.9761 -13.9761 -13.9747 -13.9747 -3.7385 -3.7385 -3.4254 -3.4254 -2.1642 -2.1642 -1.7145 -1.7145 -1.7113 -1.7113 -1.6064 -1.6064 -1.5999 -1.5999 -0.0872 -0.0872 1.7094 1.7094 1.7256 1.7256 2.4931 2.4931 2.4935 2.4935 2.6024 2.6024 2.6656 2.6656 2.6699 2.6699 3.6766 3.6766 3.8737 3.8737 3.8821 3.8821 4.1019 4.1019 4.1083 4.1083 4.1419 4.1419 4.2937 4.2937 4.4167 4.4167 4.4641 4.4641 4.8722 4.8722 4.8808 4.8808 5.7002 5.7002 5.7362 5.7362 9.2657 9.2657 9.9243 9.9243 10.2709 10.2709 14.1308 14.1308 14.8573 14.8573 16.0521 16.0521 k = 0.0484 0.0217 0.0142 ( 3765 PWs) bands (ev): -17.4777 -17.4777 -17.1001 -17.1001 -14.1119 -14.1119 -14.1114 -14.1114 -13.9755 -13.9755 -13.9741 -13.9741 -3.7379 -3.7379 -3.4188 -3.4188 -2.1787 -2.1787 -1.7154 -1.7154 -1.7122 -1.7122 -1.6064 -1.6064 -1.5999 -1.5999 -0.0802 -0.0802 1.7077 1.7077 1.7239 1.7239 2.5140 2.5140 2.5143 2.5143 2.5977 2.5977 2.6449 2.6449 2.6489 2.6489 3.6859 3.6859 3.8825 3.8825 3.8916 3.8916 4.0963 4.0963 4.1033 4.1033 4.1373 4.1373 4.2936 4.2936 4.4165 4.4165 4.4647 4.4647 4.8684 4.8684 4.8774 4.8774 5.7041 5.7041 5.7402 5.7402 9.2714 9.2714 9.9299 9.9299 10.2506 10.2506 14.1998 14.1998 14.7871 14.7871 16.0514 16.0514 k = 0.0323 0.0145 0.0095 ( 3759 PWs) bands (ev): -17.4789 -17.4789 -17.0989 -17.0989 -14.1124 -14.1124 -14.1119 -14.1119 -13.9750 -13.9750 -13.9736 -13.9736 -3.7374 -3.7374 -3.4139 -3.4139 -2.1891 -2.1891 -1.7160 -1.7160 -1.7129 -1.7129 -1.6064 -1.6064 -1.5999 -1.5999 -0.0751 -0.0751 1.7065 1.7065 1.7227 1.7227 2.5343 2.5343 2.5350 2.5350 2.5936 2.5936 2.6250 2.6250 2.6286 2.6286 3.6928 3.6928 3.8891 3.8891 3.8987 3.8987 4.0920 4.0920 4.0997 4.0997 4.1339 4.1339 4.2935 4.2935 4.4165 4.4165 4.4651 4.4651 4.8658 4.8658 4.8750 4.8750 5.7069 5.7069 5.7432 5.7432 9.2758 9.2758 9.9338 9.9338 10.2359 10.2359 14.2614 14.2614 14.7247 14.7247 16.0509 16.0509 k = 0.0161 0.0072 0.0047 ( 3774 PWs) bands (ev): -17.4796 -17.4796 -17.0981 -17.0981 -14.1126 -14.1126 -14.1121 -14.1121 -13.9748 -13.9748 -13.9733 -13.9733 -3.7372 -3.7372 -3.4110 -3.4110 -2.1954 -2.1954 -1.7164 -1.7164 -1.7133 -1.7133 -1.6064 -1.6064 -1.5999 -1.5999 -0.0721 -0.0721 1.7058 1.7058 1.7220 1.7220 2.5526 2.5526 2.5551 2.5551 2.5881 2.5881 2.6085 2.6085 2.6102 2.6102 3.6970 3.6970 3.8931 3.8931 3.9031 3.9031 4.0891 4.0891 4.0974 4.0974 4.1316 4.1316 4.2934 4.2934 4.4164 4.4164 4.4654 4.4654 4.8641 4.8641 4.8735 4.8735 5.7086 5.7086 5.7449 5.7449 9.2785 9.2785 9.9362 9.9362 10.2269 10.2269 14.3079 14.3079 14.6777 14.6777 16.0505 16.0506 k = 0.0000 0.0000 0.0000 ( 3753 PWs) bands (ev): -17.4798 -17.4798 -17.0978 -17.0978 -14.1127 -14.1127 -14.1122 -14.1122 -13.9747 -13.9747 -13.9732 -13.9732 -3.7371 -3.7371 -3.4100 -3.4100 -2.1976 -2.1976 -1.7165 -1.7165 -1.7134 -1.7134 -1.6064 -1.6064 -1.5999 -1.5999 -0.0711 -0.0711 1.7056 1.7056 1.7218 1.7218 2.5623 2.5623 2.5709 2.5709 2.5779 2.5779 2.6005 2.6005 2.6022 2.6022 3.6984 3.6984 3.8945 3.8945 3.9046 3.9046 4.0882 4.0882 4.0967 4.0967 4.1310 4.1310 4.2935 4.2935 4.4164 4.4164 4.4656 4.4656 4.8636 4.8636 4.8731 4.8731 5.7092 5.7092 5.7456 5.7456 9.2794 9.2794 9.9370 9.9370 10.2239 10.2239 14.3263 14.3263 14.6591 14.6591 16.0505 16.0505 k = 0.0000 0.0000 0.0000 ( 3753 PWs) bands (ev): -17.4798 -17.4798 -17.0978 -17.0978 -14.1127 -14.1127 -14.1122 -14.1122 -13.9747 -13.9747 -13.9732 -13.9732 -3.7371 -3.7371 -3.4100 -3.4100 -2.1976 -2.1976 -1.7165 -1.7165 -1.7134 -1.7134 -1.6064 -1.6064 -1.5999 -1.5999 -0.0711 -0.0711 1.7056 1.7056 1.7218 1.7218 2.5623 2.5623 2.5709 2.5709 2.5779 2.5779 2.6005 2.6005 2.6022 2.6022 3.6984 3.6984 3.8945 3.8945 3.9046 3.9046 4.0882 4.0882 4.0967 4.0967 4.1310 4.1310 4.2935 4.2935 4.4164 4.4164 4.4656 4.4656 4.8636 4.8636 4.8731 4.8731 5.7092 5.7092 5.7456 5.7456 9.2794 9.2794 9.9370 9.9370 10.2239 10.2239 14.3263 14.3263 14.6591 14.6591 16.0505 16.0505 k = 0.0076-0.0068-0.0155 ( 3751 PWs) bands (ev): -17.4796 -17.4796 -17.0979 -17.0979 -14.1128 -14.1128 -14.1123 -14.1123 -13.9749 -13.9749 -13.9734 -13.9734 -3.7361 -3.7361 -3.4094 -3.4094 -2.1967 -2.1967 -1.7168 -1.7168 -1.7134 -1.7134 -1.6061 -1.6061 -1.5995 -1.5995 -0.0724 -0.0724 1.7063 1.7063 1.7225 1.7225 2.5563 2.5563 2.5648 2.5648 2.5781 2.5781 2.5932 2.5932 2.6191 2.6191 3.6976 3.6976 3.8920 3.8920 3.9022 3.9022 4.0886 4.0886 4.0979 4.0979 4.1316 4.1316 4.2936 4.2936 4.4167 4.4167 4.4663 4.4663 4.8638 4.8638 4.8735 4.8735 5.7089 5.7089 5.7452 5.7452 9.2825 9.2825 9.9373 9.9373 10.2249 10.2249 14.3289 14.3289 14.6550 14.6550 16.0431 16.0431 k = 0.0152-0.0135-0.0311 ( 3751 PWs) bands (ev): -17.4788 -17.4788 -17.0979 -17.0979 -14.1130 -14.1130 -14.1125 -14.1125 -13.9758 -13.9758 -13.9740 -13.9740 -3.7331 -3.7331 -3.4078 -3.4078 -2.1943 -2.1943 -1.7184 -1.7184 -1.7126 -1.7126 -1.6052 -1.6052 -1.5982 -1.5982 -0.0761 -0.0761 1.7082 1.7082 1.7247 1.7247 2.5381 2.5381 2.5573 2.5573 2.5758 2.5758 2.5927 2.5927 2.6407 2.6407 3.6949 3.6949 3.8841 3.8841 3.8956 3.8956 4.0892 4.0892 4.1015 4.1015 4.1332 4.1332 4.2940 4.2940 4.4175 4.4175 4.4684 4.4684 4.8642 4.8642 4.8747 4.8747 5.7079 5.7079 5.7441 5.7441 9.2917 9.2917 9.9381 9.9381 10.2279 10.2279 14.3368 14.3368 14.6426 14.6426 16.0144 16.0144 k = 0.0228-0.0203-0.0466 ( 3751 PWs) bands (ev): -17.4774 -17.4774 -17.0980 -17.0980 -14.1135 -14.1135 -14.1128 -14.1128 -13.9775 -13.9775 -13.9746 -13.9746 -3.7282 -3.7282 -3.4051 -3.4051 -2.1903 -2.1903 -1.7218 -1.7218 -1.7104 -1.7104 -1.6043 -1.6043 -1.5957 -1.5957 -0.0821 -0.0821 1.7109 1.7109 1.7287 1.7287 2.5165 2.5165 2.5443 2.5443 2.5755 2.5755 2.5925 2.5925 2.6640 2.6640 3.6904 3.6904 3.8707 3.8707 3.8863 3.8863 4.0900 4.0900 4.1066 4.1066 4.1360 4.1360 4.2945 4.2945 4.4186 4.4186 4.4719 4.4719 4.8644 4.8644 4.8772 4.8772 5.7061 5.7061 5.7425 5.7425 9.3069 9.3069 9.9395 9.9395 10.2328 10.2328 14.3497 14.3497 14.6224 14.6224 15.9595 15.9595 k = 0.0304-0.0271-0.0621 ( 3745 PWs) bands (ev): -17.4756 -17.4756 -17.0982 -17.0982 -14.1141 -14.1141 -14.1133 -14.1133 -13.9800 -13.9800 -13.9753 -13.9753 -3.7213 -3.7213 -3.4013 -3.4013 -2.1846 -2.1846 -1.7268 -1.7268 -1.7072 -1.7072 -1.6035 -1.6035 -1.5915 -1.5915 -0.0905 -0.0905 1.7139 1.7139 1.7349 1.7349 2.4939 2.4939 2.5264 2.5264 2.5765 2.5765 2.5915 2.5915 2.6883 2.6883 3.6843 3.6843 3.8526 3.8526 3.8750 3.8750 4.0909 4.0909 4.1125 4.1125 4.1401 4.1401 4.2951 4.2951 4.4200 4.4200 4.4767 4.4767 4.8643 4.8643 4.8814 4.8814 5.7033 5.7033 5.7406 5.7406 9.3280 9.3280 9.9414 9.9414 10.2397 10.2397 14.3677 14.3677 14.5946 14.5946 15.8865 15.8865 k = 0.0380-0.0338-0.0776 ( 3749 PWs) bands (ev): -17.4732 -17.4732 -17.0984 -17.0984 -14.1150 -14.1150 -14.1138 -14.1138 -13.9832 -13.9832 -13.9761 -13.9761 -3.7125 -3.7125 -3.3965 -3.3965 -2.1774 -2.1774 -1.7330 -1.7330 -1.7030 -1.7030 -1.6029 -1.6029 -1.5860 -1.5860 -0.1011 -0.1011 1.7169 1.7169 1.7434 1.7434 2.4705 2.4705 2.5042 2.5042 2.5770 2.5770 2.5906 2.5906 2.7134 2.7134 3.6764 3.6764 3.8309 3.8309 3.8620 3.8620 4.0917 4.0917 4.1181 4.1181 4.1453 4.1453 4.2955 4.2955 4.4213 4.4213 4.4825 4.4825 4.8637 4.8637 4.8874 4.8874 5.6993 5.6993 5.7386 5.7386 9.3549 9.3549 9.9439 9.9439 10.2484 10.2484 14.3906 14.3906 14.5597 14.5597 15.8037 15.8037 k = 0.0456-0.0406-0.0932 ( 3751 PWs) bands (ev): -17.4703 -17.4703 -17.0986 -17.0986 -14.1160 -14.1160 -14.1144 -14.1144 -13.9871 -13.9871 -13.9771 -13.9771 -3.7018 -3.7018 -3.3906 -3.3906 -2.1687 -2.1687 -1.7404 -1.7404 -1.6980 -1.6980 -1.6025 -1.6025 -1.5791 -1.5791 -0.1137 -0.1137 1.7200 1.7200 1.7539 1.7539 2.4463 2.4463 2.4780 2.4780 2.5749 2.5749 2.5920 2.5920 2.7392 2.7392 3.6668 3.6668 3.8065 3.8065 3.8478 3.8478 4.0925 4.0925 4.1234 4.1234 4.1514 4.1514 4.2958 4.2958 4.4224 4.4224 4.4890 4.4890 4.8627 4.8627 4.8950 4.8950 5.6940 5.6940 5.7369 5.7369 9.3874 9.3874 9.9470 9.9470 10.2588 10.2588 14.4179 14.4179 14.5186 14.5186 15.7158 15.7158 k = 0.0532-0.0473-0.1087 ( 3755 PWs) bands (ev): -17.4669 -17.4669 -17.0989 -17.0989 -14.1172 -14.1172 -14.1152 -14.1152 -13.9917 -13.9917 -13.9783 -13.9783 -3.6893 -3.6893 -3.3838 -3.3838 -2.1585 -2.1585 -1.7487 -1.7487 -1.6921 -1.6921 -1.6021 -1.6021 -1.5709 -1.5709 -0.1282 -0.1282 1.7231 1.7231 1.7660 1.7660 2.4210 2.4210 2.4481 2.4481 2.5697 2.5697 2.5960 2.5960 2.7655 2.7655 3.6555 3.6555 3.7801 3.7801 3.8329 3.8329 4.0932 4.0932 4.1281 4.1281 4.1582 4.1582 4.2958 4.2958 4.4232 4.4232 4.4960 4.4960 4.8615 4.8615 4.9045 4.9045 5.6871 5.6871 5.7356 5.7356 9.4252 9.4252 9.9508 9.9508 10.2709 10.2709 14.4474 14.4474 14.4739 14.4739 15.6253 15.6253 k = 0.0608-0.0541-0.1242 ( 3756 PWs) bands (ev): -17.4630 -17.4630 -17.0993 -17.0993 -14.1185 -14.1185 -14.1160 -14.1160 -13.9969 -13.9969 -13.9797 -13.9797 -3.6750 -3.6750 -3.3759 -3.3759 -2.1468 -2.1468 -1.7579 -1.7579 -1.6854 -1.6854 -1.6019 -1.6019 -1.5616 -1.5616 -0.1444 -0.1444 1.7264 1.7264 1.7794 1.7794 2.3939 2.3939 2.4153 2.4153 2.5625 2.5625 2.6019 2.6019 2.7922 2.7922 3.6425 3.6425 3.7522 3.7522 3.8181 3.8181 4.0937 4.0937 4.1323 4.1323 4.1653 4.1653 4.2956 4.2956 4.4235 4.4235 4.5031 4.5031 4.8601 4.8601 4.9157 4.9157 5.6786 5.6786 5.7348 5.7348 9.4681 9.4681 9.9553 9.9553 10.2846 10.2846 14.4165 14.4165 14.4884 14.4884 15.5339 15.5339 k = 0.0684-0.0609-0.1398 ( 3758 PWs) bands (ev): -17.4586 -17.4586 -17.0998 -17.0998 -14.1199 -14.1199 -14.1170 -14.1170 -14.0027 -14.0027 -13.9812 -13.9812 -3.6589 -3.6589 -3.3672 -3.3672 -2.1337 -2.1337 -1.7678 -1.7678 -1.6780 -1.6780 -1.6017 -1.6017 -1.5512 -1.5512 -0.1621 -0.1621 1.7298 1.7298 1.7937 1.7937 2.3632 2.3632 2.3815 2.3815 2.5539 2.5539 2.6092 2.6092 2.8191 2.8191 3.6280 3.6280 3.7233 3.7233 3.8037 3.8037 4.0940 4.0940 4.1362 4.1362 4.1723 4.1723 4.2951 4.2951 4.4233 4.4233 4.5101 4.5101 4.8585 4.8585 4.9286 4.9286 5.6687 5.6687 5.7347 5.7347 9.5159 9.5159 9.9605 9.9605 10.2997 10.2997 14.3596 14.3596 14.5281 14.5281 15.4426 15.4426 k = 0.0760-0.0676-0.1553 ( 3756 PWs) bands (ev): -17.4538 -17.4538 -17.1003 -17.1003 -14.1214 -14.1214 -14.1181 -14.1181 -14.0091 -14.0091 -13.9828 -13.9828 -3.6412 -3.6412 -3.3575 -3.3575 -2.1194 -2.1194 -1.7780 -1.7780 -1.6699 -1.6699 -1.6017 -1.6017 -1.5399 -1.5399 -0.1811 -0.1811 1.7334 1.7334 1.8087 1.8087 2.3258 2.3258 2.3500 2.3500 2.5443 2.5443 2.6180 2.6180 2.8459 2.8459 3.6119 3.6119 3.6938 3.6938 3.7903 3.7903 4.0941 4.0941 4.1397 4.1397 4.1792 4.1792 4.2944 4.2944 4.4226 4.4226 4.5166 4.5166 4.8569 4.8569 4.9432 4.9432 5.6574 5.6574 5.7351 5.7351 9.5681 9.5681 9.9666 9.9666 10.3160 10.3160 14.2981 14.2981 14.5719 14.5719 15.3521 15.3521 k = 0.0836-0.0744-0.1708 ( 3754 PWs) bands (ev): -17.4485 -17.4485 -17.1009 -17.1009 -14.1230 -14.1230 -14.1194 -14.1194 -14.0159 -14.0159 -13.9846 -13.9846 -3.6220 -3.6220 -3.3470 -3.3470 -2.1040 -2.1040 -1.7885 -1.7885 -1.6613 -1.6613 -1.6017 -1.6017 -1.5277 -1.5277 -0.2012 -0.2012 1.7370 1.7370 1.8238 1.8238 2.2824 2.2824 2.3202 2.3202 2.5337 2.5337 2.6281 2.6281 2.8722 2.8722 3.5943 3.5943 3.6640 3.6640 3.7783 3.7783 4.0940 4.0940 4.1428 4.1428 4.1859 4.1859 4.2936 4.2936 4.4213 4.4213 4.5226 4.5226 4.8553 4.8553 4.9594 4.9594 5.6449 5.6449 5.7360 5.7360 9.6245 9.6245 9.9734 9.9734 10.3335 10.3335 14.2328 14.2328 14.6189 14.6189 15.2628 15.2628 k = 0.0912-0.0812-0.1864 ( 3752 PWs) bands (ev): -17.4428 -17.4428 -17.1016 -17.1016 -14.1246 -14.1246 -14.1207 -14.1207 -14.0233 -14.0233 -13.9866 -13.9866 -3.6012 -3.6012 -3.3357 -3.3357 -2.0876 -2.0876 -1.7988 -1.7988 -1.6522 -1.6522 -1.6019 -1.6019 -1.5147 -1.5147 -0.2222 -0.2222 1.7407 1.7407 1.8389 1.8389 2.2350 2.2350 2.2904 2.2904 2.5225 2.5225 2.6396 2.6396 2.8978 2.8978 3.5755 3.5755 3.6343 3.6343 3.7679 3.7679 4.0937 4.0937 4.1454 4.1454 4.1924 4.1924 4.2928 4.2928 4.4195 4.4195 4.5279 4.5279 4.8536 4.8536 4.9771 4.9771 5.6313 5.6313 5.7374 5.7374 9.6849 9.6849 9.9811 9.9811 10.3521 10.3521 14.1643 14.1643 14.6687 14.6687 15.1751 15.1751 k = 0.0988-0.0879-0.2019 ( 3754 PWs) bands (ev): -17.4367 -17.4367 -17.1024 -17.1024 -14.1262 -14.1262 -14.1222 -14.1222 -14.0311 -14.0311 -13.9887 -13.9887 -3.5790 -3.5790 -3.3236 -3.3236 -2.0706 -2.0706 -1.8086 -1.8086 -1.6427 -1.6427 -1.6022 -1.6022 -1.5011 -1.5011 -0.2440 -0.2440 1.7443 1.7443 1.8535 1.8535 2.1846 2.1846 2.2601 2.2601 2.5108 2.5108 2.6526 2.6526 2.9220 2.9220 3.5555 3.5555 3.6052 3.6052 3.7593 3.7593 4.0930 4.0930 4.1474 4.1474 4.1986 4.1986 4.2922 4.2922 4.4173 4.4173 4.5323 4.5323 4.8520 4.8520 4.9961 4.9961 5.6166 5.6166 5.7394 5.7394 9.7487 9.7487 9.9898 9.9898 10.3714 10.3714 14.0931 14.0931 14.7207 14.7207 15.0893 15.0893 k = 0.1064-0.0947-0.2174 ( 3754 PWs) bands (ev): -17.4302 -17.4302 -17.1033 -17.1033 -14.1278 -14.1278 -14.1239 -14.1239 -14.0392 -14.0392 -13.9909 -13.9909 -3.5555 -3.5555 -3.3108 -3.3108 -2.0534 -2.0534 -1.8174 -1.8174 -1.6329 -1.6329 -1.6026 -1.6026 -1.4869 -1.4869 -0.2663 -0.2663 1.7477 1.7477 1.8675 1.8675 2.1317 2.1317 2.2290 2.2290 2.4988 2.4988 2.6670 2.6670 2.9446 2.9446 3.5342 3.5342 3.5773 3.5773 3.7526 3.7526 4.0920 4.0920 4.1488 4.1488 4.2045 4.2045 4.2919 4.2919 4.4146 4.4146 4.5358 4.5358 4.8505 4.8505 5.0162 5.0162 5.6010 5.6010 5.7418 5.7418 9.8158 9.8158 9.9994 9.9994 10.3915 10.3915 14.0195 14.0195 14.7739 14.7739 15.0061 15.0061 k = 0.1140-0.1014-0.2329 ( 3758 PWs) bands (ev): -17.4234 -17.4234 -17.1044 -17.1044 -14.1294 -14.1294 -14.1256 -14.1256 -14.0477 -14.0477 -13.9933 -13.9933 -3.5308 -3.5308 -3.2974 -3.2974 -2.0366 -2.0366 -1.8244 -1.8244 -1.6230 -1.6230 -1.6031 -1.6031 -1.4724 -1.4724 -0.2890 -0.2890 1.7509 1.7509 1.8805 1.8805 2.0769 2.0769 2.1971 2.1971 2.4866 2.4866 2.6828 2.6828 2.9648 2.9648 3.5114 3.5114 3.5516 3.5516 3.7479 3.7479 4.0907 4.0907 4.1494 4.1494 4.2103 4.2103 4.2919 4.2919 4.4117 4.4117 4.5383 4.5383 4.8491 4.8491 5.0374 5.0374 5.5846 5.5846 5.7447 5.7447 9.8858 9.8858 10.0100 10.0100 10.4121 10.4121 13.9440 13.9440 14.8250 14.8250 14.9285 14.9285 k = 0.1216-0.1082-0.2485 ( 3758 PWs) bands (ev): -17.4162 -17.4162 -17.1055 -17.1055 -14.1309 -14.1309 -14.1275 -14.1275 -14.0565 -14.0565 -13.9957 -13.9957 -3.5049 -3.5049 -3.2834 -3.2834 -2.0210 -2.0210 -1.8287 -1.8287 -1.6130 -1.6130 -1.6038 -1.6038 -1.4576 -1.4576 -0.3120 -0.3120 1.7538 1.7538 1.8923 1.8923 2.0207 2.0207 2.1644 2.1644 2.4745 2.4745 2.6999 2.6999 2.9824 2.9824 3.4868 3.4868 3.5289 3.5289 3.7454 3.7454 4.0891 4.0891 4.1493 4.1493 4.2158 4.2158 4.2923 4.2923 4.4086 4.4086 4.5399 4.5399 4.8478 4.8478 5.0593 5.0593 5.5674 5.5674 5.7481 5.7481 9.9584 9.9584 10.0218 10.0218 10.4330 10.4330 13.8669 13.8669 14.8274 14.8274 14.9025 14.9025 k = 0.1292-0.1150-0.2640 ( 3760 PWs) bands (ev): -17.4088 -17.4088 -17.1068 -17.1068 -14.1323 -14.1323 -14.1296 -14.1296 -14.0655 -14.0655 -13.9983 -13.9983 -3.4781 -3.4781 -3.2688 -3.2688 -2.0078 -2.0078 -1.8290 -1.8290 -1.6048 -1.6048 -1.6029 -1.6029 -1.4428 -1.4428 -0.3352 -0.3352 1.7560 1.7560 1.9027 1.9027 1.9637 1.9637 2.1310 2.1310 2.4627 2.4627 2.7181 2.7181 2.9969 2.9969 3.4607 3.4607 3.5093 3.5093 3.7449 3.7449 4.0871 4.0871 4.1486 4.1486 4.2211 4.2211 4.2931 4.2931 4.4054 4.4054 4.5407 4.5407 4.8466 4.8466 5.0819 5.0819 5.5495 5.5495 5.7520 5.7520 10.0321 10.0321 10.0357 10.0357 10.4542 10.4542 13.7886 13.7886 14.7577 14.7577 14.9509 14.9509 k = 0.1368-0.1217-0.2795 ( 3758 PWs) bands (ev): -17.4010 -17.4010 -17.1083 -17.1083 -14.1336 -14.1336 -14.1317 -14.1317 -14.0746 -14.0746 -14.0010 -14.0010 -3.4504 -3.4504 -3.2537 -3.2537 -1.9981 -1.9981 -1.8242 -1.8242 -1.6056 -1.6056 -1.5934 -1.5934 -1.4280 -1.4280 -0.3583 -0.3583 1.7573 1.7573 1.9037 1.9037 1.9143 1.9143 2.0971 2.0971 2.4514 2.4514 2.7372 2.7372 3.0082 3.0082 3.4336 3.4336 3.4928 3.4928 3.7465 3.7465 4.0849 4.0849 4.1475 4.1475 4.2262 4.2262 4.2943 4.2943 4.4025 4.4025 4.5406 4.5406 4.8457 4.8457 5.1050 5.1050 5.5310 5.5310 5.7562 5.7562 10.0484 10.0484 10.1102 10.1102 10.4755 10.4755 13.7093 13.7093 14.6836 14.6836 15.0054 15.0054 k = 0.1445-0.1285-0.2951 ( 3762 PWs) bands (ev): -17.3930 -17.3930 -17.1099 -17.1099 -14.1347 -14.1347 -14.1340 -14.1340 -14.0839 -14.0839 -14.0037 -14.0037 -3.4219 -3.4219 -3.2383 -3.2383 -1.9927 -1.9927 -1.8134 -1.8134 -1.6066 -1.6066 -1.5843 -1.5843 -1.4135 -1.4135 -0.3813 -0.3813 1.7567 1.7567 1.8497 1.8497 1.9193 1.9193 2.0628 2.0628 2.4406 2.4406 2.7565 2.7565 3.0164 3.0164 3.4062 3.4062 3.4787 3.4787 3.7500 3.7500 4.0823 4.0823 4.1459 4.1459 4.2310 4.2310 4.2958 4.2958 4.3996 4.3996 4.5398 4.5398 4.8449 4.8449 5.1285 5.1285 5.5120 5.5120 5.7608 5.7608 10.0636 10.0636 10.1887 10.1887 10.4966 10.4966 13.6294 13.6294 14.6109 14.6109 15.0592 15.0592 k = 0.1521-0.1353-0.3106 ( 3766 PWs) bands (ev): -17.3848 -17.3848 -17.1116 -17.1116 -14.1366 -14.1366 -14.1356 -14.1356 -14.0932 -14.0932 -14.0066 -14.0066 -3.3928 -3.3928 -3.2224 -3.2224 -1.9914 -1.9914 -1.7968 -1.7968 -1.6078 -1.6078 -1.5756 -1.5756 -1.3994 -1.3994 -0.4041 -0.4041 1.7493 1.7493 1.8004 1.8004 1.9240 1.9240 2.0286 2.0286 2.4307 2.4307 2.7753 2.7753 3.0222 3.0222 3.3789 3.3789 3.4669 3.4669 3.7554 3.7554 4.0797 4.0797 4.1440 4.1440 4.2355 4.2355 4.2975 4.2975 4.3970 4.3970 4.5384 4.5384 4.8444 4.8444 5.1522 5.1522 5.4924 5.4924 5.7657 5.7657 10.0799 10.0799 10.2686 10.2686 10.5175 10.5175 13.5490 13.5490 14.5403 14.5403 15.1102 15.1102 k = 0.1597-0.1420-0.3261 ( 3772 PWs) bands (ev): -17.3764 -17.3764 -17.1136 -17.1136 -14.1392 -14.1392 -14.1363 -14.1363 -14.1025 -14.1025 -14.0095 -14.0095 -3.3632 -3.3632 -3.2062 -3.2062 -1.9933 -1.9933 -1.7752 -1.7752 -1.6092 -1.6092 -1.5678 -1.5678 -1.3859 -1.3859 -0.4266 -0.4266 1.7166 1.7166 1.7765 1.7765 1.9251 1.9251 1.9962 1.9962 2.4217 2.4217 2.7927 2.7927 3.0266 3.0266 3.3522 3.3522 3.4570 3.4570 3.7624 3.7624 4.0770 4.0770 4.1420 4.1420 4.2396 4.2396 4.2993 4.2993 4.3947 4.3947 4.5368 4.5368 4.8440 4.8440 5.1760 5.1760 5.4725 5.4725 5.7708 5.7708 10.0974 10.0974 10.3496 10.3496 10.5381 10.5381 13.4686 13.4686 14.4719 14.4719 15.1557 15.1557 k = 0.1673-0.1488-0.3417 ( 3762 PWs) bands (ev): -17.3679 -17.3679 -17.1157 -17.1157 -14.1419 -14.1419 -14.1369 -14.1369 -14.1117 -14.1117 -14.0124 -14.0124 -3.3333 -3.3333 -3.1898 -3.1898 -1.9974 -1.9974 -1.7496 -1.7496 -1.6106 -1.6106 -1.5609 -1.5609 -1.3732 -1.3732 -0.4488 -0.4488 1.6660 1.6660 1.7712 1.7712 1.9183 1.9183 1.9698 1.9698 2.4138 2.4138 2.8071 2.8071 3.0312 3.0312 3.3261 3.3261 3.4485 3.4485 3.7706 3.7706 4.0745 4.0745 4.1399 4.1399 4.2432 4.2432 4.3011 4.3011 4.3925 4.3925 4.5351 4.5351 4.8439 4.8439 5.2000 5.2000 5.4522 5.4522 5.7760 5.7760 10.1163 10.1163 10.4314 10.4314 10.5581 10.5581 13.3883 13.3883 14.4060 14.4060 15.1908 15.1908 k = 0.1749-0.1555-0.3572 ( 3760 PWs) bands (ev): -17.3592 -17.3592 -17.1179 -17.1179 -14.1448 -14.1448 -14.1372 -14.1372 -14.1208 -14.1208 -14.0155 -14.0155 -3.3032 -3.3032 -3.1731 -3.1731 -2.0027 -2.0027 -1.7209 -1.7209 -1.6122 -1.6122 -1.5551 -1.5551 -1.3614 -1.3614 -0.4705 -0.4705 1.6133 1.6133 1.7692 1.7692 1.8967 1.8967 1.9565 1.9565 2.4071 2.4071 2.8171 2.8171 3.0378 3.0378 3.3008 3.3008 3.4413 3.4413 3.7796 3.7796 4.0723 4.0723 4.1378 4.1378 4.2463 4.2463 4.3031 4.3031 4.3902 4.3902 4.5337 4.5337 4.8441 4.8441 5.2239 5.2239 5.4315 5.4315 5.7812 5.7812 10.1363 10.1363 10.5137 10.5137 10.5776 10.5776 13.3084 13.3084 14.3426 14.3426 15.2066 15.2066 k = 0.1825-0.1623-0.3727 ( 3762 PWs) bands (ev): -17.3505 -17.3505 -17.1204 -17.1204 -14.1479 -14.1479 -14.1376 -14.1376 -14.1293 -14.1293 -14.0185 -14.0185 -3.2730 -3.2730 -3.1563 -3.1563 -2.0084 -2.0084 -1.6898 -1.6898 -1.6139 -1.6139 -1.5507 -1.5507 -1.3507 -1.3507 -0.4918 -0.4918 1.5617 1.5617 1.7678 1.7678 1.8649 1.8649 1.9520 1.9520 2.4015 2.4015 2.8213 2.8213 3.0480 3.0480 3.2765 3.2765 3.4349 3.4349 3.7891 3.7891 4.0706 4.0706 4.1357 4.1357 4.2486 4.2486 4.3052 4.3052 4.3875 4.3875 4.5329 4.5329 4.8445 4.8445 5.2478 5.2478 5.4106 5.4106 5.7863 5.7863 10.1577 10.1577 10.5918 10.5918 10.6008 10.6008 13.2290 13.2290 14.2818 14.2818 15.1927 15.1927 k = 0.1901-0.1691-0.3882 ( 3760 PWs) bands (ev): -17.3416 -17.3416 -17.1230 -17.1230 -14.1511 -14.1511 -14.1406 -14.1406 -14.1347 -14.1347 -14.0216 -14.0216 -3.2430 -3.2430 -3.1394 -3.1394 -2.0143 -2.0143 -1.6568 -1.6568 -1.6157 -1.6157 -1.5478 -1.5478 -1.3412 -1.3412 -0.5125 -0.5125 1.5123 1.5123 1.7665 1.7665 1.8295 1.8295 1.9498 1.9498 2.3970 2.3970 2.8192 2.8192 3.0626 3.0626 3.2535 3.2535 3.4292 3.4292 3.7985 3.7985 4.0694 4.0694 4.1336 4.1336 4.2503 4.2503 4.3075 4.3075 4.3844 4.3844 4.5330 4.5330 4.8451 4.8451 5.2717 5.2717 5.3895 5.3895 5.7911 5.7911 10.1803 10.1803 10.6133 10.6133 10.6798 10.6798 13.1504 13.1504 14.2236 14.2236 15.1503 15.1503 k = 0.1977-0.1758-0.4038 ( 3766 PWs) bands (ev): -17.3328 -17.3328 -17.1259 -17.1259 -14.1544 -14.1544 -14.1482 -14.1482 -14.1351 -14.1351 -14.0247 -14.0247 -3.2133 -3.2133 -3.1224 -3.1224 -2.0198 -2.0198 -1.6225 -1.6225 -1.6173 -1.6173 -1.5465 -1.5465 -1.3331 -1.3331 -0.5327 -0.5327 1.4656 1.4656 1.7651 1.7651 1.7929 1.7929 1.9477 1.9477 2.3937 2.3937 2.8112 2.8112 3.0814 3.0814 3.2317 3.2317 3.4240 3.4240 3.8076 3.8076 4.0688 4.0688 4.1314 4.1314 4.2511 4.2511 4.3100 4.3100 4.3806 4.3806 4.5342 4.5342 4.8460 4.8460 5.2952 5.2952 5.3683 5.3683 5.7955 5.7955 10.2041 10.2041 10.6301 10.6301 10.7623 10.7623 13.0729 13.0729 14.1680 14.1680 15.0909 15.0909 k = 0.2053-0.1826-0.4193 ( 3770 PWs) bands (ev): -17.3240 -17.3240 -17.1289 -17.1289 -14.1579 -14.1579 -14.1562 -14.1562 -14.1343 -14.1343 -14.0278 -14.0278 -3.1841 -3.1841 -3.1054 -3.1054 -2.0248 -2.0248 -1.6197 -1.6197 -1.5863 -1.5863 -1.5470 -1.5470 -1.3264 -1.3264 -0.5524 -0.5524 1.4220 1.4220 1.7552 1.7552 1.7644 1.7644 1.9453 1.9453 2.3913 2.3913 2.7983 2.7983 3.1032 3.1032 3.2113 3.2113 3.4195 3.4195 3.8161 3.8161 4.0688 4.0688 4.1291 4.1291 4.2513 4.2513 4.3125 4.3125 4.3762 4.3762 4.5366 4.5366 4.8472 4.8472 5.3178 5.3178 5.3479 5.3479 5.7993 5.7993 10.2291 10.2291 10.6457 10.6457 10.8444 10.8444 12.9966 12.9966 14.1151 14.1151 15.0233 15.0233 k = 0.2129-0.1894-0.4348 ( 3772 PWs) bands (ev): -17.3151 -17.3151 -17.1321 -17.1321 -14.1640 -14.1640 -14.1615 -14.1615 -14.1331 -14.1331 -14.0310 -14.0310 -3.1557 -3.1557 -3.0883 -3.0883 -2.0290 -2.0290 -1.6217 -1.6217 -1.5518 -1.5518 -1.5472 -1.5472 -1.3212 -1.3212 -0.5715 -0.5715 1.3820 1.3820 1.7181 1.7181 1.7632 1.7632 1.9425 1.9425 2.3898 2.3898 2.7819 2.7819 3.1265 3.1265 3.1929 3.1929 3.4157 3.4157 3.8236 3.8236 4.0693 4.0693 4.1267 4.1267 4.2508 4.2508 4.3148 4.3148 4.3717 4.3717 4.5402 4.5402 4.8486 4.8486 5.3214 5.3214 5.3463 5.3463 5.8025 5.8025 10.2553 10.2553 10.6601 10.6601 10.9259 10.9259 12.9218 12.9218 14.0651 14.0651 14.9516 14.9516 k = 0.2205-0.1961-0.4504 ( 3772 PWs) bands (ev): -17.3064 -17.3064 -17.1354 -17.1354 -14.1715 -14.1715 -14.1652 -14.1652 -14.1314 -14.1314 -14.0341 -14.0341 -3.1283 -3.1283 -3.0712 -3.0712 -2.0324 -2.0324 -1.6238 -1.6238 -1.5546 -1.5546 -1.5113 -1.5113 -1.3176 -1.3176 -0.5901 -0.5901 1.3457 1.3457 1.6808 1.6808 1.7627 1.7627 1.9392 1.9392 2.3890 2.3890 2.7630 2.7630 3.1486 3.1486 3.1780 3.1780 3.4130 3.4130 3.8301 3.8301 4.0702 4.0702 4.1241 4.1241 4.2498 4.2498 4.3160 4.3160 4.3679 4.3679 4.5449 4.5449 4.8503 4.8503 5.3012 5.3012 5.3683 5.3683 5.8048 5.8048 10.2826 10.2826 10.6733 10.6733 11.0064 11.0064 12.8487 12.8487 14.0178 14.0178 14.8779 14.8779 k = 0.2281-0.2029-0.4659 ( 3774 PWs) bands (ev): -17.2978 -17.2978 -17.1390 -17.1390 -14.1785 -14.1785 -14.1690 -14.1690 -14.1294 -14.1294 -14.0372 -14.0372 -3.1023 -3.1023 -3.0539 -3.0539 -2.0347 -2.0347 -1.6259 -1.6259 -1.5614 -1.5614 -1.4728 -1.4728 -1.3154 -1.3154 -0.6081 -0.6081 1.3134 1.3134 1.6438 1.6438 1.7629 1.7629 1.9354 1.9354 2.3886 2.3886 2.7423 2.7423 3.1535 3.1535 3.1816 3.1816 3.4118 3.4118 3.8353 3.8353 4.0713 4.0713 4.1214 4.1214 4.2483 4.2483 4.3154 4.3154 4.3660 4.3660 4.5503 4.5503 4.8523 4.8523 5.2795 5.2795 5.3917 5.3917 5.8060 5.8060 10.3108 10.3108 10.6852 10.6852 11.0858 11.0858 12.7775 12.7775 13.9735 13.9735 14.8034 14.8034 k = 0.2357-0.2096-0.4814 ( 3770 PWs) bands (ev): -17.2892 -17.2892 -17.1427 -17.1427 -14.1852 -14.1852 -14.1730 -14.1730 -14.1270 -14.1270 -14.0403 -14.0403 -3.0778 -3.0778 -3.0365 -3.0365 -2.0361 -2.0361 -1.6280 -1.6280 -1.5704 -1.5704 -1.4337 -1.4337 -1.3147 -1.3147 -0.6256 -0.6256 1.2852 1.2852 1.6071 1.6071 1.7639 1.7639 1.9314 1.9314 2.3886 2.3886 2.7206 2.7206 3.1422 3.1422 3.2013 3.2013 3.4129 3.4129 3.8394 3.8394 4.0724 4.0724 4.1185 4.1185 4.2466 4.2466 4.3124 4.3124 4.3669 4.3669 4.5562 4.5562 4.8546 4.8546 5.2576 5.2576 5.4152 5.4152 5.8061 5.8061 10.3400 10.3400 10.6957 10.6957 11.1637 11.1637 12.7084 12.7084 13.9321 13.9321 14.7287 14.7287 k = 0.2433-0.2164-0.4969 ( 3764 PWs) bands (ev): -17.2809 -17.2809 -17.1465 -17.1465 -14.1913 -14.1913 -14.1770 -14.1770 -14.1243 -14.1243 -14.0434 -14.0434 -3.0554 -3.0554 -3.0188 -3.0188 -2.0363 -2.0363 -1.6301 -1.6301 -1.5816 -1.5816 -1.3942 -1.3942 -1.3154 -1.3154 -0.6426 -0.6426 1.2612 1.2612 1.5709 1.5709 1.7658 1.7658 1.9270 1.9270 2.3888 2.3888 2.6983 2.6983 3.1309 3.1309 3.2199 3.2199 3.4171 3.4171 3.8420 3.8420 4.0731 4.0731 4.1154 4.1154 4.2445 4.2445 4.3076 4.3076 4.3706 4.3706 4.5624 4.5624 4.8573 4.8573 5.2357 5.2357 5.4387 5.4387 5.8049 5.8049 10.3698 10.3698 10.7048 10.7048 11.2400 11.2400 12.6416 12.6416 13.8938 13.8938 14.6542 14.6542 k = 0.2509-0.2232-0.5125 ( 3766 PWs) bands (ev): -17.2727 -17.2727 -17.1505 -17.1505 -14.1969 -14.1969 -14.1811 -14.1811 -14.1213 -14.1213 -14.0464 -14.0464 -3.0351 -3.0351 -3.0010 -3.0010 -2.0354 -2.0354 -1.6322 -1.6322 -1.5949 -1.5949 -1.3545 -1.3545 -1.3173 -1.3173 -0.6592 -0.6592 1.2414 1.2414 1.5353 1.5353 1.7689 1.7689 1.9225 1.9225 2.3889 2.3889 2.6757 2.6757 3.1211 3.1211 3.2347 3.2347 3.4252 3.4252 3.8431 3.8431 4.0733 4.0733 4.1122 4.1122 4.2420 4.2420 4.3019 4.3019 4.3763 4.3763 4.5685 4.5685 4.8603 4.8603 5.2138 5.2138 5.4622 5.4622 5.8022 5.8022 10.4002 10.4002 10.7126 10.7126 11.3143 11.3143 12.5774 12.5774 13.8585 13.8585 14.5802 14.5802 k = 0.2585-0.2299-0.5280 ( 3770 PWs) bands (ev): -17.2647 -17.2647 -17.1547 -17.1547 -14.2020 -14.2020 -14.1854 -14.1854 -14.1179 -14.1179 -14.0494 -14.0494 -3.0170 -3.0170 -2.9833 -2.9833 -2.0333 -2.0333 -1.6342 -1.6342 -1.6101 -1.6101 -1.3208 -1.3208 -1.3143 -1.3143 -0.6753 -0.6753 1.2256 1.2256 1.5005 1.5005 1.7732 1.7732 1.9180 1.9180 2.3888 2.3888 2.6532 2.6532 3.1132 3.1132 3.2449 3.2449 3.4375 3.4375 3.8423 3.8423 4.0728 4.0728 4.1089 4.1089 4.2390 4.2390 4.2964 4.2964 4.3836 4.3836 4.5745 4.5745 4.8637 4.8637 5.1919 5.1919 5.4856 5.4856 5.7981 5.7981 10.4310 10.4310 10.7189 10.7189 11.3864 11.3864 12.5161 12.5161 13.8264 13.8264 14.5070 14.5070 k = 0.2661-0.2367-0.5435 ( 3776 PWs) bands (ev): -17.2569 -17.2569 -17.1590 -17.1590 -14.2066 -14.2066 -14.1896 -14.1896 -14.1142 -14.1142 -14.0524 -14.0524 -3.0007 -3.0007 -2.9662 -2.9662 -2.0300 -2.0300 -1.6366 -1.6366 -1.6265 -1.6265 -1.3247 -1.3247 -1.2748 -1.2748 -0.6910 -0.6910 1.2138 1.2138 1.4666 1.4666 1.7789 1.7789 1.9134 1.9134 2.3884 2.3884 2.6311 2.6311 3.1073 3.1073 3.2505 3.2505 3.4539 3.4539 3.8394 3.8394 4.0717 4.0717 4.1058 4.1058 4.2355 4.2355 4.2919 4.2919 4.3920 4.3920 4.5800 4.5800 4.8675 4.8675 5.1702 5.1702 5.5088 5.5088 5.7923 5.7923 10.4620 10.4620 10.7239 10.7239 11.4559 11.4559 12.4577 12.4577 13.7973 13.7973 14.4349 14.4349 k = 0.2737-0.2435-0.5591 ( 3774 PWs) bands (ev): -17.2494 -17.2494 -17.1634 -17.1634 -14.2106 -14.2106 -14.1940 -14.1940 -14.1101 -14.1101 -14.0553 -14.0553 -2.9860 -2.9860 -2.9504 -2.9504 -2.0254 -2.0254 -1.6468 -1.6468 -1.6365 -1.6365 -1.3297 -1.3297 -1.2354 -1.2354 -0.7063 -0.7063 1.2056 1.2056 1.4336 1.4336 1.7860 1.7860 1.9090 1.9090 2.3877 2.3877 2.6095 2.6095 3.1033 3.1033 3.2522 3.2522 3.4734 3.4734 3.8341 3.8341 4.0700 4.0700 4.1029 4.1029 4.2316 4.2316 4.2889 4.2889 4.4012 4.4012 4.5852 4.5852 4.8719 4.8719 5.1486 5.1486 5.5318 5.5318 5.7848 5.7848 10.4928 10.4928 10.7275 10.7275 11.5227 11.5227 12.4027 12.4027 13.7713 13.7713 14.3644 14.3644 k = 0.2813-0.2502-0.5746 ( 3764 PWs) bands (ev): -17.2421 -17.2421 -17.1679 -17.1679 -14.2140 -14.2140 -14.1983 -14.1983 -14.1058 -14.1058 -14.0582 -14.0582 -2.9727 -2.9727 -2.9364 -2.9364 -2.0197 -2.0197 -1.6659 -1.6659 -1.6386 -1.6386 -1.3353 -1.3353 -1.1963 -1.1963 -0.7213 -0.7213 1.2010 1.2010 1.4017 1.4017 1.7946 1.7946 1.9047 1.9047 2.3866 2.3866 2.5886 2.5886 3.1013 3.1013 3.2509 3.2509 3.4951 3.4951 3.8260 3.8260 4.0680 4.0680 4.1001 4.1001 4.2273 4.2273 4.2875 4.2875 4.4111 4.4111 4.5899 4.5899 4.8768 4.8768 5.1273 5.1273 5.5546 5.5546 5.7756 5.7756 10.5232 10.5232 10.7299 10.7299 11.5865 11.5865 12.3511 12.3511 13.7481 13.7481 14.2959 14.2959 k = 0.2889-0.2570-0.5901 ( 3764 PWs) bands (ev): -17.2351 -17.2351 -17.1725 -17.1725 -14.2168 -14.2168 -14.2027 -14.2027 -14.1013 -14.1013 -14.0610 -14.0610 -2.9605 -2.9605 -2.9245 -2.9245 -2.0129 -2.0129 -1.6863 -1.6863 -1.6400 -1.6400 -1.3413 -1.3413 -1.1578 -1.1578 -0.7360 -0.7360 1.1995 1.1995 1.3709 1.3709 1.8047 1.8047 1.9007 1.9007 2.3850 2.3850 2.5686 2.5686 3.1010 3.1010 3.2474 3.2474 3.5181 3.5181 3.8149 3.8149 4.0660 4.0660 4.0975 4.0975 4.2229 4.2229 4.2876 4.2876 4.4213 4.4213 4.5941 4.5941 4.8823 4.8823 5.1063 5.1063 5.5770 5.5770 5.7646 5.7646 10.5529 10.5529 10.7311 10.7311 11.6469 11.6469 12.3033 12.3033 13.7273 13.7273 14.2300 14.2300 k = 0.2965-0.2638-0.6057 ( 3764 PWs) bands (ev): -17.2284 -17.2284 -17.1771 -17.1771 -14.2191 -14.2191 -14.2072 -14.2072 -14.0965 -14.0965 -14.0638 -14.0638 -2.9494 -2.9494 -2.9150 -2.9150 -2.0048 -2.0048 -1.7073 -1.7073 -1.6412 -1.6412 -1.3477 -1.3477 -1.1201 -1.1201 -0.7505 -0.7505 1.2009 1.2009 1.3415 1.3415 1.8162 1.8162 1.8971 1.8971 2.3831 2.3831 2.5496 2.5496 3.1025 3.1025 3.2425 3.2425 3.5416 3.5416 3.8006 3.8006 4.0642 4.0642 4.0948 4.0948 4.2184 4.2184 4.2888 4.2888 4.4318 4.4318 4.5979 4.5979 4.8886 4.8886 5.0856 5.0856 5.5990 5.5990 5.7518 5.7518 10.5813 10.5813 10.7314 10.7314 11.7037 11.7037 12.2595 12.2595 13.7084 13.7084 14.1677 14.1677 k = 0.3041-0.2705-0.6212 ( 3774 PWs) bands (ev): -17.2220 -17.2220 -17.1819 -17.1819 -14.2209 -14.2209 -14.2116 -14.2116 -14.0915 -14.0915 -14.0665 -14.0665 -2.9394 -2.9394 -2.9082 -2.9082 -1.9957 -1.9957 -1.7284 -1.7284 -1.6421 -1.6421 -1.3541 -1.3541 -1.0833 -1.0833 -0.7647 -0.7647 1.2047 1.2047 1.3134 1.3134 1.8292 1.8292 1.8938 1.8938 2.3808 2.3808 2.5317 2.5317 3.1054 3.1054 3.2365 3.2365 3.5651 3.5651 3.7834 3.7834 4.0627 4.0627 4.0922 4.0922 4.2141 4.2141 4.2910 4.2910 4.4423 4.4423 4.6012 4.6012 4.8955 4.8955 5.0653 5.0653 5.6205 5.6205 5.7372 5.7372 10.6079 10.6079 10.7310 10.7310 11.7567 11.7567 12.2199 12.2199 13.6902 13.6902 14.1103 14.1103 k = 0.3117-0.2773-0.6367 ( 3774 PWs) bands (ev): -17.2159 -17.2159 -17.1866 -17.1866 -14.2221 -14.2221 -14.2160 -14.2160 -14.0862 -14.0862 -14.0691 -14.0691 -2.9304 -2.9304 -2.9042 -2.9042 -1.9854 -1.9854 -1.7493 -1.7493 -1.6427 -1.6427 -1.3604 -1.3604 -1.0477 -1.0477 -0.7787 -0.7787 1.2107 1.2107 1.2868 1.2868 1.8436 1.8436 1.8911 1.8911 2.3784 2.3784 2.5150 2.5150 3.1098 3.1098 3.2298 3.2298 3.5884 3.5884 3.7636 3.7636 4.0614 4.0614 4.0895 4.0895 4.2100 4.2100 4.2939 4.2939 4.4528 4.4528 4.6043 4.6043 4.9033 4.9033 5.0457 5.0457 5.6414 5.6414 5.7210 5.7210 10.6320 10.6320 10.7304 10.7304 11.8056 11.8056 12.1848 12.1848 13.6710 13.6710 14.0597 14.0597 k = 0.3193-0.2840-0.6522 ( 3782 PWs) bands (ev): -17.2101 -17.2101 -17.1914 -17.1914 -14.2228 -14.2228 -14.2204 -14.2204 -14.0809 -14.0809 -14.0717 -14.0717 -2.9226 -2.9226 -2.9031 -2.9031 -1.9741 -1.9741 -1.7697 -1.7697 -1.6431 -1.6431 -1.3664 -1.3664 -1.0134 -1.0134 -0.7925 -0.7925 1.2184 1.2184 1.2617 1.2617 1.8593 1.8593 1.8889 1.8889 2.3757 2.3757 2.4995 2.4995 3.1153 3.1153 3.2227 3.2227 3.6105 3.6105 3.7421 3.7421 4.0602 4.0602 4.0868 4.0868 4.2061 4.2061 4.2970 4.2970 4.4630 4.4630 4.6073 4.6073 4.9117 4.9117 5.0267 5.0267 5.6612 5.6612 5.7037 5.7037 10.6525 10.6525 10.7305 10.7305 11.8505 11.8505 12.1542 12.1542 13.6489 13.6489 14.0181 14.0181 k = 0.3269-0.2908-0.6678 ( 3786 PWs) bands (ev): -17.2046 -17.2046 -17.1961 -17.1961 -14.2247 -14.2247 -14.2229 -14.2229 -14.0754 -14.0754 -14.0742 -14.0742 -2.9158 -2.9158 -2.9049 -2.9049 -1.9619 -1.9619 -1.7892 -1.7892 -1.6432 -1.6432 -1.3719 -1.3719 -0.9806 -0.9806 -0.8062 -0.8062 1.2274 1.2274 1.2383 1.2383 1.8760 1.8760 1.8878 1.8878 2.3730 2.3730 2.4853 2.4853 3.1219 3.1219 3.2153 3.2153 3.6295 3.6295 3.7211 3.7211 4.0589 4.0589 4.0842 4.0842 4.2024 4.2024 4.3000 4.3000 4.4729 4.4729 4.6102 4.6102 4.9207 4.9207 5.0089 5.0089 5.6747 5.6747 5.6904 5.6904 10.6676 10.6676 10.7329 10.7329 11.8911 11.8911 12.1284 12.1284 13.6214 13.6214 13.9880 13.9880 k = 0.3345-0.2976-0.6833 ( 3784 PWs) bands (ev): -17.2009 -17.2009 -17.1995 -17.1995 -14.2290 -14.2290 -14.2227 -14.2227 -14.0766 -14.0766 -14.0698 -14.0698 -2.9110 -2.9110 -2.9085 -2.9085 -1.9487 -1.9487 -1.8077 -1.8077 -1.6429 -1.6429 -1.3769 -1.3769 -0.9495 -0.9495 -0.8196 -0.8196 1.2166 1.2166 1.2375 1.2375 1.8853 1.8853 1.8958 1.8958 2.3704 2.3704 2.4726 2.4726 3.1293 3.1293 3.2078 3.2078 3.6392 3.6392 3.7074 3.7074 4.0572 4.0572 4.0819 4.0819 4.1989 4.1989 4.3027 4.3027 4.4824 4.4824 4.6133 4.6133 4.9296 4.9296 4.9929 4.9929 5.6600 5.6600 5.7033 5.7033 10.6759 10.6759 10.7388 10.7388 11.9275 11.9275 12.1075 12.1075 13.5872 13.5872 13.9708 13.9708 k = 0.3421-0.3043-0.6988 ( 3788 PWs) bands (ev): -17.2056 -17.2056 -17.1946 -17.1946 -14.2332 -14.2332 -14.2219 -14.2219 -14.0790 -14.0790 -14.0642 -14.0642 -2.9172 -2.9172 -2.9050 -2.9050 -1.9347 -1.9347 -1.8250 -1.8250 -1.6424 -1.6424 -1.3812 -1.3812 -0.9201 -0.9201 -0.8330 -0.8330 1.1967 1.1967 1.2483 1.2483 1.8856 1.8856 1.9147 1.9147 2.3679 2.3679 2.4612 2.4612 3.1373 3.1373 3.2003 3.2003 3.6293 3.6293 3.7114 3.7114 4.0549 4.0549 4.0798 4.0798 4.1955 4.1955 4.3047 4.3047 4.4911 4.4911 4.6165 4.6165 4.9360 4.9360 4.9813 4.9813 5.6383 5.6383 5.7211 5.7211 10.6778 10.6778 10.7477 10.7477 11.9598 11.9598 12.0913 12.0913 13.5464 13.5464 13.9665 13.9665 k = 0.3497-0.3111-0.7144 ( 3788 PWs) bands (ev): -17.2102 -17.2102 -17.1901 -17.1901 -14.2373 -14.2373 -14.2208 -14.2208 -14.0812 -14.0812 -14.0585 -14.0585 -2.9272 -2.9272 -2.9014 -2.9014 -1.9199 -1.9199 -1.8410 -1.8410 -1.6415 -1.6415 -1.3846 -1.3846 -0.8928 -0.8928 -0.8461 -0.8461 1.1786 1.1786 1.2595 1.2595 1.8863 1.8863 1.9349 1.9349 2.3656 2.3656 2.4512 2.4512 3.1458 3.1458 3.1929 3.1929 3.6050 3.6050 3.7285 3.7285 4.0518 4.0518 4.0780 4.0780 4.1923 4.1923 4.3058 4.3058 4.4991 4.4991 4.6200 4.6200 4.9344 4.9344 4.9795 4.9795 5.6151 5.6151 5.7386 5.7386 10.6756 10.6756 10.7575 10.7575 11.9880 11.9880 12.0800 12.0800 13.5001 13.5001 13.9737 13.9737 k = 0.3573-0.3179-0.7299 ( 3790 PWs) bands (ev): -17.2148 -17.2148 -17.1859 -17.1859 -14.2413 -14.2413 -14.2193 -14.2193 -14.0834 -14.0834 -14.0528 -14.0528 -2.9394 -2.9394 -2.8988 -2.8988 -1.9045 -1.9045 -1.8556 -1.8556 -1.6404 -1.6404 -1.3873 -1.3873 -0.8677 -0.8677 -0.8589 -0.8589 1.1622 1.1622 1.2708 1.2708 1.8878 1.8878 1.9560 1.9560 2.3636 2.3636 2.4425 2.4425 3.1543 3.1543 3.1858 3.1858 3.5752 3.5752 3.7501 3.7501 4.0482 4.0482 4.0764 4.0764 4.1891 4.1891 4.3058 4.3058 4.5061 4.5061 4.6236 4.6236 4.9246 4.9246 4.9878 4.9878 5.5908 5.5908 5.7554 5.7554 10.6710 10.6710 10.7662 10.7662 12.0125 12.0125 12.0732 12.0732 13.4502 13.4502 13.9907 13.9907 k = 0.6427-0.0934-0.5828 ( 3790 PWs) bands (ev): -17.2148 -17.2148 -17.1859 -17.1859 -14.2412 -14.2412 -14.2194 -14.2194 -14.0834 -14.0834 -14.0529 -14.0529 -2.9395 -2.9395 -2.8988 -2.8988 -1.9045 -1.9045 -1.8556 -1.8556 -1.6404 -1.6404 -1.3873 -1.3873 -0.8677 -0.8677 -0.8589 -0.8589 1.1622 1.1622 1.2708 1.2708 1.8878 1.8878 1.9560 1.9560 2.3637 2.3637 2.4425 2.4425 3.1544 3.1544 3.1858 3.1858 3.5752 3.5752 3.7501 3.7501 4.0482 4.0482 4.0765 4.0765 4.1891 4.1891 4.3058 4.3058 4.5061 4.5061 4.6236 4.6236 4.9246 4.9246 4.9878 4.9878 5.5908 5.5908 5.7554 5.7554 10.6710 10.6710 10.7662 10.7662 12.0125 12.0125 12.0732 12.0732 13.4502 13.4502 13.9907 13.9907 k = 0.6352-0.0767-0.5828 ( 3794 PWs) bands (ev): -17.2192 -17.2192 -17.1820 -17.1820 -14.2451 -14.2451 -14.2176 -14.2176 -14.0854 -14.0854 -14.0473 -14.0473 -2.9536 -2.9536 -2.8971 -2.8971 -1.8888 -1.8888 -1.8687 -1.8687 -1.6390 -1.6390 -1.3891 -1.3891 -0.8718 -0.8718 -0.8447 -0.8447 1.1478 1.1478 1.2819 1.2819 1.8900 1.8900 1.9776 1.9776 2.3620 2.3620 2.4353 2.4353 3.1621 3.1621 3.1799 3.1799 3.5432 3.5432 3.7732 3.7732 4.0439 4.0439 4.0751 4.0751 4.1860 4.1860 4.3046 4.3046 4.5121 4.5121 4.6272 4.6272 4.9118 4.9118 5.0010 5.0010 5.5661 5.5661 5.7712 5.7712 10.6652 10.6652 10.7729 10.7729 12.0331 12.0331 12.0707 12.0707 13.3987 13.3987 14.0152 14.0152 k = 0.6277-0.0600-0.5828 ( 3788 PWs) bands (ev): -17.2234 -17.2234 -17.1785 -17.1785 -14.2488 -14.2488 -14.2155 -14.2155 -14.0874 -14.0874 -14.0418 -14.0418 -2.9694 -2.9694 -2.8963 -2.8963 -1.8807 -1.8807 -1.8724 -1.8724 -1.6373 -1.6373 -1.3900 -1.3900 -0.8841 -0.8841 -0.8241 -0.8241 1.1352 1.1352 1.2926 1.2926 1.8932 1.8932 1.9996 1.9996 2.3608 2.3608 2.4294 2.4294 3.1650 3.1650 3.1790 3.1790 3.5101 3.5101 3.7972 3.7972 4.0393 4.0393 4.0738 4.0738 4.1830 4.1830 4.3023 4.3023 4.5168 4.5168 4.6308 4.6308 4.8984 4.8984 5.0165 5.0165 5.5411 5.5411 5.7863 5.7863 10.6589 10.6589 10.7773 10.7773 12.0506 12.0506 12.0721 12.0721 13.3463 13.3463 14.0462 14.0462 k = 0.6201-0.0432-0.5828 ( 3784 PWs) bands (ev): -17.2276 -17.2276 -17.1752 -17.1752 -14.2524 -14.2524 -14.2133 -14.2133 -14.0893 -14.0893 -14.0364 -14.0364 -2.9865 -2.9865 -2.8963 -2.8963 -1.8910 -1.8910 -1.8560 -1.8560 -1.6353 -1.6353 -1.3901 -1.3901 -0.8962 -0.8962 -0.8058 -0.8058 1.1242 1.1242 1.3029 1.3029 1.8972 1.8972 2.0220 2.0220 2.3600 2.3600 2.4247 2.4247 3.1606 3.1606 3.1856 3.1856 3.4762 3.4762 3.8220 3.8220 4.0342 4.0342 4.0726 4.0726 4.1799 4.1799 4.2990 4.2990 4.5204 4.5204 4.6341 4.6341 4.8852 4.8852 5.0334 5.0334 5.5160 5.5160 5.8005 5.8005 10.6523 10.6523 10.7794 10.7794 12.0652 12.0652 12.0770 12.0770 13.2940 13.2940 14.0823 14.0823 k = 0.6126-0.0265-0.5828 ( 3782 PWs) bands (ev): -17.2316 -17.2316 -17.1722 -17.1722 -14.2558 -14.2558 -14.2108 -14.2108 -14.0911 -14.0911 -14.0312 -14.0312 -3.0045 -3.0045 -2.8971 -2.8971 -1.9003 -1.9003 -1.8393 -1.8393 -1.6331 -1.6331 -1.3895 -1.3895 -0.9080 -0.9080 -0.7897 -0.7897 1.1149 1.1149 1.3127 1.3127 1.9021 1.9021 2.0445 2.0445 2.3595 2.3595 2.4212 2.4212 3.1543 3.1543 3.1941 3.1941 3.4420 3.4420 3.8473 3.8473 4.0289 4.0289 4.0715 4.0715 4.1769 4.1769 4.2946 4.2946 4.5229 4.5229 4.6368 4.6368 4.8726 4.8726 5.0511 5.0511 5.4912 5.4912 5.8139 5.8139 10.6459 10.6459 10.7791 10.7791 12.0774 12.0774 12.0849 12.0849 13.2422 13.2422 14.1227 14.1227 k = 0.6051-0.0098-0.5828 ( 3786 PWs) bands (ev): -17.2354 -17.2354 -17.1694 -17.1694 -14.2591 -14.2591 -14.2082 -14.2082 -14.0927 -14.0927 -14.0262 -14.0262 -3.0232 -3.0232 -2.8985 -2.8985 -1.9085 -1.9085 -1.8226 -1.8226 -1.6307 -1.6307 -1.3883 -1.3883 -0.9195 -0.9195 -0.7759 -0.7759 1.1070 1.1070 1.3217 1.3217 1.9079 1.9079 2.0669 2.0669 2.3594 2.3594 2.4188 2.4188 3.1478 3.1478 3.2029 3.2029 3.4079 3.4079 3.8730 3.8730 4.0235 4.0235 4.0702 4.0702 4.1739 4.1739 4.2894 4.2894 4.5241 4.5241 4.6386 4.6386 4.8607 4.8607 5.0692 5.0692 5.4669 5.4669 5.8263 5.8263 10.6398 10.6398 10.7767 10.7767 12.0875 12.0875 12.0952 12.0952 13.1917 13.1917 14.1664 14.1664 k = 0.5976 0.0069-0.5828 ( 3790 PWs) bands (ev): -17.2391 -17.2391 -17.1669 -17.1669 -14.2621 -14.2621 -14.2056 -14.2056 -14.0943 -14.0943 -14.0213 -14.0213 -3.0421 -3.0421 -2.9005 -2.9005 -1.9156 -1.9156 -1.8060 -1.8060 -1.6282 -1.6282 -1.3864 -1.3864 -0.9305 -0.9305 -0.7641 -0.7641 1.1005 1.1005 1.3300 1.3300 1.9145 1.9145 2.0891 2.0891 2.3597 2.3597 2.4175 2.4175 3.1412 3.1412 3.2116 3.2116 3.3741 3.3741 3.8991 3.8991 4.0181 4.0181 4.0691 4.0691 4.1708 4.1708 4.2838 4.2838 4.5243 4.5243 4.6390 4.6390 4.8496 4.8496 5.0876 5.0876 5.4435 5.4435 5.8380 5.8380 10.6342 10.6342 10.7723 10.7723 12.0958 12.0958 12.1074 12.1074 13.1427 13.1427 14.2128 14.2128 k = 0.5901 0.0237-0.5828 ( 3782 PWs) bands (ev): -17.2425 -17.2425 -17.1647 -17.1647 -14.2650 -14.2650 -14.2029 -14.2029 -14.0958 -14.0958 -14.0167 -14.0167 -3.0610 -3.0610 -2.9030 -2.9030 -1.9218 -1.9218 -1.7897 -1.7897 -1.6255 -1.6255 -1.3842 -1.3842 -0.9411 -0.9411 -0.7545 -0.7545 1.0953 1.0953 1.3376 1.3376 1.9218 1.9218 2.1109 2.1109 2.3602 2.3602 2.4170 2.4170 3.1347 3.1347 3.2200 3.2200 3.3410 3.3410 3.9252 3.9252 4.0130 4.0130 4.0681 4.0681 4.1679 4.1679 4.2778 4.2778 4.5235 4.5235 4.6379 4.6379 4.8394 4.8394 5.1059 5.1059 5.4213 5.4213 5.8487 5.8487 10.6293 10.6293 10.7663 10.7663 12.1026 12.1026 12.1211 12.1211 13.0957 13.0957 14.2612 14.2612 k = 0.5826 0.0404-0.5828 ( 3780 PWs) bands (ev): -17.2457 -17.2457 -17.1626 -17.1626 -14.2677 -14.2677 -14.2002 -14.2002 -14.0972 -14.0972 -14.0123 -14.0123 -3.0794 -3.0794 -2.9058 -2.9058 -1.9272 -1.9272 -1.7737 -1.7737 -1.6227 -1.6227 -1.3815 -1.3815 -0.9511 -0.9511 -0.7467 -0.7467 1.0912 1.0912 1.3444 1.3444 1.9297 1.9297 2.1319 2.1319 2.3610 2.3610 2.4174 2.4174 3.1282 3.1282 3.2280 3.2280 3.3090 3.3090 3.9506 3.9506 4.0087 4.0087 4.0673 4.0673 4.1651 4.1651 4.2717 4.2717 4.5217 4.5217 4.6349 4.6349 4.8300 4.8300 5.1239 5.1239 5.4007 5.4007 5.8586 5.8586 10.6251 10.6251 10.7589 10.7589 12.1082 12.1082 12.1357 12.1357 13.0510 13.0510 14.3110 14.3110 k = 0.5751 0.0571-0.5828 ( 3782 PWs) bands (ev): -17.2487 -17.2487 -17.1608 -17.1608 -14.2702 -14.2702 -14.1975 -14.1975 -14.0984 -14.0984 -14.0083 -14.0083 -3.0972 -3.0972 -2.9088 -2.9088 -1.9318 -1.9318 -1.7584 -1.7584 -1.6199 -1.6199 -1.3787 -1.3787 -0.9606 -0.9606 -0.7406 -0.7406 1.0880 1.0880 1.3504 1.3504 1.9381 1.9381 2.1521 2.1521 2.3619 2.3619 2.4185 2.4185 3.1217 3.1217 3.2354 3.2354 3.2787 3.2787 3.9727 3.9727 4.0077 4.0077 4.0668 4.0668 4.1624 4.1624 4.2657 4.2657 4.5190 4.5190 4.6300 4.6300 4.8214 4.8214 5.1412 5.1412 5.3819 5.3819 5.8677 5.8677 10.6219 10.6219 10.7503 10.7503 12.1128 12.1128 12.1507 12.1507 13.0089 13.0089 14.3613 14.3613 k = 0.5676 0.0739-0.5828 ( 3778 PWs) bands (ev): -17.2514 -17.2514 -17.1593 -17.1593 -14.2725 -14.2725 -14.1950 -14.1950 -14.0996 -14.0996 -14.0045 -14.0045 -3.1141 -3.1141 -2.9119 -2.9119 -1.9357 -1.9357 -1.7438 -1.7438 -1.6171 -1.6171 -1.3757 -1.3757 -0.9694 -0.9694 -0.7361 -0.7361 1.0857 1.0857 1.3557 1.3557 1.9467 1.9467 2.1712 2.1712 2.3630 2.3630 2.4202 2.4202 3.1150 3.1150 3.2404 3.2404 3.2522 3.2522 3.9833 3.9833 4.0175 4.0175 4.0672 4.0672 4.1601 4.1601 4.2598 4.2598 4.5153 4.5153 4.6232 4.6232 4.8135 4.8135 5.1577 5.1577 5.3650 5.3650 5.8758 5.8758 10.6197 10.6197 10.7408 10.7408 12.1167 12.1167 12.1656 12.1656 12.9696 12.9696 14.4117 14.4117 k = 0.5601 0.0906-0.5828 ( 3776 PWs) bands (ev): -17.2539 -17.2539 -17.1579 -17.1579 -14.2746 -14.2746 -14.1926 -14.1926 -14.1006 -14.1006 -14.0011 -14.0011 -3.1298 -3.1298 -2.9151 -2.9151 -1.9391 -1.9391 -1.7301 -1.7301 -1.6144 -1.6144 -1.3727 -1.3727 -0.9774 -0.9774 -0.7330 -0.7330 1.0840 1.0840 1.3602 1.3602 1.9555 1.9555 2.1890 2.1890 2.3640 2.3640 2.4223 2.4223 3.1081 3.1081 3.2221 3.2221 3.2508 3.2508 3.9828 3.9828 4.0356 4.0356 4.0703 4.0703 4.1585 4.1585 4.2544 4.2544 4.5107 4.5107 4.6148 4.6148 4.8065 4.8065 5.1731 5.1731 5.3502 5.3502 5.8831 5.8831 10.6185 10.6185 10.7306 10.7306 12.1200 12.1200 12.1801 12.1801 12.9334 12.9334 14.4612 14.4612 k = 0.5526 0.1073-0.5828 ( 3778 PWs) bands (ev): -17.2561 -17.2561 -17.1567 -17.1567 -14.2765 -14.2765 -14.1904 -14.1904 -14.1015 -14.1015 -13.9980 -13.9980 -3.1441 -3.1441 -2.9181 -2.9181 -1.9418 -1.9418 -1.7175 -1.7175 -1.6119 -1.6119 -1.3698 -1.3698 -0.9847 -0.9847 -0.7309 -0.7309 1.0829 1.0829 1.3641 1.3641 1.9641 1.9641 2.2054 2.2054 2.3650 2.3650 2.4249 2.4249 3.1006 3.1006 3.1992 3.1992 3.2563 3.2563 3.9794 3.9794 4.0484 4.0484 4.0805 4.0805 4.1583 4.1583 4.2494 4.2494 4.5049 4.5049 4.6052 4.6052 4.8003 4.8003 5.1871 5.1871 5.3376 5.3376 5.8896 5.8896 10.6184 10.6184 10.7201 10.7201 12.1228 12.1228 12.1938 12.1938 12.9007 12.9007 14.5092 14.5092 k = 0.5451 0.1241-0.5828 ( 3786 PWs) bands (ev): -17.2581 -17.2581 -17.1556 -17.1556 -14.2781 -14.2781 -14.1884 -14.1884 -14.1023 -14.1023 -13.9953 -13.9953 -3.1569 -3.1569 -2.9210 -2.9210 -1.9441 -1.9441 -1.7062 -1.7062 -1.6095 -1.6095 -1.3671 -1.3671 -0.9911 -0.9911 -0.7297 -0.7297 1.0822 1.0822 1.3674 1.3674 1.9723 1.9723 2.2200 2.2200 2.3659 2.3659 2.4276 2.4276 3.0924 3.0924 3.1796 3.1796 3.2615 3.2615 3.9756 3.9756 4.0529 4.0529 4.0970 4.0970 4.1608 4.1608 4.2450 4.2450 4.4976 4.4976 4.5952 4.5952 4.7948 4.7948 5.1996 5.1996 5.3271 5.3271 5.8951 5.8951 10.6195 10.6195 10.7093 10.7093 12.1252 12.1252 12.2063 12.2063 12.8717 12.8717 14.5547 14.5547 k = 0.5375 0.1408-0.5828 ( 3782 PWs) bands (ev): -17.2597 -17.2597 -17.1548 -17.1548 -14.2794 -14.2794 -14.1867 -14.1867 -14.1030 -14.1030 -13.9930 -13.9930 -3.1679 -3.1679 -2.9236 -2.9236 -1.9459 -1.9459 -1.6964 -1.6964 -1.6074 -1.6074 -1.3647 -1.3647 -0.9966 -0.9966 -0.7291 -0.7291 1.0818 1.0818 1.3701 1.3701 1.9799 1.9799 2.2329 2.2329 2.3667 2.3667 2.4304 2.4304 3.0835 3.0835 3.1640 3.1640 3.2661 3.2661 3.9719 3.9719 4.0541 4.0541 4.1115 4.1115 4.1684 4.1684 4.2412 4.2412 4.4889 4.4889 4.5855 4.5855 4.7901 4.7901 5.2105 5.2105 5.3186 5.3186 5.8999 5.8999 10.6218 10.6218 10.6985 10.6985 12.1273 12.1273 12.2174 12.2174 12.8466 12.8466 14.5967 14.5967 k = 0.5300 0.1575-0.5828 ( 3784 PWs) bands (ev): -17.2611 -17.2611 -17.1541 -17.1541 -14.2806 -14.2806 -14.1852 -14.1852 -14.1035 -14.1035 -13.9911 -13.9911 -3.1771 -3.1771 -2.9258 -2.9258 -1.9474 -1.9474 -1.6881 -1.6881 -1.6056 -1.6056 -1.3626 -1.3626 -1.0011 -1.0011 -0.7290 -0.7290 1.0816 1.0816 1.3722 1.3722 1.9865 1.9865 2.2436 2.2436 2.3673 2.3673 2.4330 2.4330 3.0745 3.0745 3.1522 3.1522 3.2700 3.2700 3.9688 3.9688 4.0542 4.0542 4.1199 4.1199 4.1820 4.1820 4.2381 4.2381 4.4787 4.4787 4.5769 4.5769 4.7863 4.7863 5.2196 5.2196 5.3120 5.3120 5.9037 5.9037 10.6251 10.6251 10.6879 10.6879 12.1290 12.1290 12.2268 12.2268 12.8256 12.8256 14.6339 14.6339 k = 0.5225 0.1742-0.5828 ( 3784 PWs) bands (ev): -17.2622 -17.2622 -17.1536 -17.1536 -14.2814 -14.2814 -14.1841 -14.1841 -14.1040 -14.1040 -13.9896 -13.9896 -3.1844 -3.1844 -2.9276 -2.9276 -1.9485 -1.9485 -1.6815 -1.6815 -1.6041 -1.6041 -1.3609 -1.3609 -1.0047 -1.0047 -0.7291 -0.7291 1.0815 1.0815 1.3739 1.3739 1.9919 1.9919 2.2522 2.2522 2.3677 2.3677 2.4353 2.4353 3.0660 3.0660 3.1439 3.1439 3.2730 3.2730 3.9662 3.9662 4.0541 4.0541 4.1235 4.1235 4.1986 4.1986 4.2356 4.2356 4.4679 4.4679 4.5701 4.5701 4.7833 4.7833 5.2267 5.2267 5.3071 5.3071 5.9067 5.9067 10.6296 10.6296 10.6777 10.6777 12.1304 12.1304 12.2343 12.2343 12.8091 12.8091 14.6650 14.6650 k = 0.5150 0.1910-0.5828 ( 3782 PWs) bands (ev): -17.2630 -17.2630 -17.1532 -17.1532 -14.2821 -14.2821 -14.1832 -14.1832 -14.1043 -14.1043 -13.9885 -13.9885 -3.1897 -3.1897 -2.9290 -2.9290 -1.9492 -1.9492 -1.6767 -1.6767 -1.6030 -1.6030 -1.3597 -1.3597 -1.0073 -1.0073 -0.7293 -0.7293 1.0815 1.0815 1.3750 1.3750 1.9960 1.9960 2.2585 2.2585 2.3679 2.3679 2.4370 2.4370 3.0592 3.0592 3.1386 3.1386 3.2752 3.2752 3.9643 3.9643 4.0540 4.0540 4.1248 4.1248 4.2141 4.2141 4.2339 4.2339 4.4577 4.4577 4.5652 4.5652 4.7812 4.7812 5.2318 5.2318 5.3038 5.3038 5.9088 5.9088 10.6350 10.6350 10.6681 10.6681 12.1315 12.1315 12.2397 12.2397 12.7971 12.7971 14.6886 14.6886 k = 0.5075 0.2077-0.5828 ( 3776 PWs) bands (ev): -17.2634 -17.2634 -17.1530 -17.1530 -14.2825 -14.2825 -14.1827 -14.1827 -14.1045 -14.1045 -13.9879 -13.9879 -3.1929 -3.1929 -2.9298 -2.9298 -1.9497 -1.9497 -1.6738 -1.6738 -1.6024 -1.6024 -1.3589 -1.3589 -1.0089 -1.0089 -0.7295 -0.7295 1.0815 1.0815 1.3757 1.3757 1.9985 1.9985 2.2623 2.2623 2.3681 2.3681 2.4382 2.4382 3.0547 3.0547 3.1356 3.1356 3.2765 3.2765 3.9631 3.9631 4.0539 4.0539 4.1252 4.1252 4.2250 4.2250 4.2329 4.2329 4.4503 4.4503 4.5624 4.5624 4.7799 4.7799 5.2349 5.2349 5.3019 5.3019 5.9101 5.9101 10.6412 10.6412 10.6595 10.6595 12.1321 12.1321 12.2430 12.2430 12.7899 12.7899 14.7034 14.7034 k = 0.5000 0.2244-0.5828 ( 3770 PWs) bands (ev): -17.2636 -17.2636 -17.1529 -17.1529 -14.2826 -14.2826 -14.1825 -14.1825 -14.1045 -14.1045 -13.9876 -13.9876 -3.1939 -3.1939 -2.9300 -2.9300 -1.9498 -1.9498 -1.6728 -1.6728 -1.6022 -1.6022 -1.3587 -1.3587 -1.0094 -1.0094 -0.7296 -0.7296 1.0815 1.0815 1.3759 1.3759 1.9993 1.9993 2.2636 2.2636 2.3682 2.3682 2.4385 2.4385 3.0532 3.0532 3.1346 3.1346 3.2770 3.2770 3.9628 3.9628 4.0539 4.0539 4.1253 4.1253 4.2291 4.2291 4.2324 4.2324 4.4475 4.4475 4.5614 4.5614 4.7795 4.7795 5.2359 5.2359 5.3013 5.3013 5.9106 5.9106 10.6455 10.6455 10.6543 10.6543 12.1323 12.1323 12.2442 12.2442 12.7875 12.7875 14.7085 14.7085 k = 0.5000 0.2244-0.5828 ( 3770 PWs) bands (ev): -17.2636 -17.2636 -17.1529 -17.1529 -14.2826 -14.2826 -14.1825 -14.1825 -14.1045 -14.1045 -13.9876 -13.9876 -3.1939 -3.1939 -2.9300 -2.9300 -1.9498 -1.9498 -1.6728 -1.6728 -1.6022 -1.6022 -1.3587 -1.3587 -1.0094 -1.0094 -0.7296 -0.7296 1.0815 1.0815 1.3759 1.3759 1.9993 1.9993 2.2636 2.2636 2.3682 2.3682 2.4385 2.4385 3.0532 3.0532 3.1346 3.1346 3.2770 3.2770 3.9628 3.9628 4.0539 4.0539 4.1253 4.1253 4.2291 4.2291 4.2324 4.2324 4.4475 4.4475 4.5614 4.5614 4.7795 4.7795 5.2359 5.2359 5.3013 5.3013 5.9106 5.9106 10.6455 10.6455 10.6543 10.6543 12.1323 12.1323 12.2442 12.2442 12.7875 12.7875 14.7085 14.7085 k = 0.5119 0.2298-0.5706 ( 3773 PWs) bands (ev): -17.2634 -17.2634 -17.1531 -17.1531 -14.2825 -14.2825 -14.1824 -14.1824 -14.1045 -14.1045 -13.9878 -13.9878 -3.1942 -3.1942 -2.9306 -2.9306 -1.9495 -1.9495 -1.6725 -1.6725 -1.6012 -1.6012 -1.3595 -1.3595 -1.0094 -1.0094 -0.7300 -0.7300 1.0823 1.0823 1.3760 1.3760 1.9994 1.9994 2.2631 2.2631 2.3664 2.3664 2.4414 2.4414 3.0513 3.0513 3.1336 3.1336 3.2793 3.2793 3.9624 3.9624 4.0541 4.0541 4.1253 4.1253 4.2250 4.2250 4.2340 4.2340 4.4483 4.4483 4.5632 4.5632 4.7806 4.7806 5.2359 5.2359 5.3014 5.3014 5.9098 5.9098 10.6441 10.6441 10.6537 10.6537 12.1311 12.1311 12.2446 12.2446 12.7900 12.7900 14.7099 14.7099 k = 0.5238 0.2351-0.5583 ( 3781 PWs) bands (ev): -17.2630 -17.2630 -17.1538 -17.1538 -14.2821 -14.2821 -14.1820 -14.1820 -14.1045 -14.1045 -13.9881 -13.9881 -3.1951 -3.1951 -2.9322 -2.9322 -1.9487 -1.9487 -1.6718 -1.6718 -1.5985 -1.5985 -1.3620 -1.3620 -1.0095 -1.0095 -0.7314 -0.7314 1.0846 1.0846 1.3761 1.3761 1.9996 1.9996 2.2615 2.2615 2.3617 2.3617 2.4493 2.4493 3.0458 3.0458 3.1310 3.1310 3.2858 3.2858 3.9614 3.9614 4.0546 4.0546 4.1249 4.1249 4.2165 4.2165 4.2356 4.2356 4.4504 4.4504 4.5680 4.5680 4.7842 4.7842 5.2359 5.2359 5.3016 5.3016 5.9075 5.9075 10.6401 10.6401 10.6521 10.6521 12.1275 12.1275 12.2461 12.2461 12.7975 12.7975 14.7142 14.7142 k = 0.5357 0.2404-0.5461 ( 3779 PWs) bands (ev): -17.2623 -17.2623 -17.1549 -17.1549 -14.2816 -14.2816 -14.1813 -14.1813 -14.1044 -14.1044 -13.9886 -13.9886 -3.1965 -3.1965 -2.9349 -2.9349 -1.9473 -1.9473 -1.6705 -1.6705 -1.5940 -1.5940 -1.3662 -1.3662 -1.0096 -1.0096 -0.7338 -0.7338 1.0886 1.0886 1.3764 1.3764 1.9999 1.9999 2.2588 2.2588 2.3557 2.3557 2.4607 2.4607 3.0372 3.0372 3.1276 3.1276 3.2955 3.2955 3.9595 3.9595 4.0555 4.0555 4.1244 4.1244 4.2054 4.2054 4.2370 4.2370 4.4532 4.4532 4.5754 4.5754 4.7904 4.7904 5.2358 5.2358 5.3021 5.3021 5.9037 5.9037 10.6334 10.6334 10.6494 10.6494 12.1215 12.1215 12.2486 12.2486 12.8099 12.8099 14.7214 14.7214 k = 0.5476 0.2458-0.5338 ( 3784 PWs) bands (ev): -17.2613 -17.2613 -17.1564 -17.1564 -14.2808 -14.2808 -14.1803 -14.1803 -14.1044 -14.1044 -13.9894 -13.9894 -3.1985 -3.1985 -2.9387 -2.9387 -1.9453 -1.9453 -1.6689 -1.6689 -1.5879 -1.5879 -1.3719 -1.3719 -1.0097 -1.0097 -0.7372 -0.7372 1.0941 1.0941 1.3768 1.3768 2.0002 2.0002 2.2550 2.2550 2.3495 2.3495 2.4745 2.4745 3.0259 3.0259 3.1238 3.1238 3.3070 3.3070 3.9565 3.9565 4.0564 4.0564 4.1231 4.1231 4.1933 4.1933 4.2386 4.2386 4.4561 4.4561 4.5840 4.5840 4.7996 4.7996 5.2358 5.2358 5.3028 5.3028 5.8983 5.8983 10.6242 10.6242 10.6456 10.6456 12.1131 12.1131 12.2522 12.2522 12.8271 12.8271 14.7314 14.7314 k = 0.5594 0.2511-0.5216 ( 3789 PWs) bands (ev): -17.2601 -17.2601 -17.1584 -17.1584 -14.2797 -14.2797 -14.1790 -14.1790 -14.1043 -14.1043 -13.9904 -13.9904 -3.2011 -3.2011 -2.9434 -2.9434 -1.9427 -1.9427 -1.6668 -1.6668 -1.5802 -1.5802 -1.3791 -1.3791 -1.0096 -1.0096 -0.7416 -0.7416 1.1011 1.1011 1.3773 1.3773 2.0007 2.0007 2.2501 2.2501 2.3437 2.3437 2.4900 2.4900 3.0129 3.0129 3.1200 3.1200 3.3195 3.3195 3.9518 3.9518 4.0570 4.0570 4.1210 4.1210 4.1822 4.1822 4.2404 4.2404 4.4588 4.4588 4.5929 4.5929 4.8121 4.8121 5.2357 5.2357 5.3037 5.3037 5.8915 5.8915 10.6126 10.6126 10.6408 10.6408 12.1023 12.1023 12.2570 12.2570 12.8490 12.8490 14.7441 14.7441 k = 0.5713 0.2564-0.5093 ( 3786 PWs) bands (ev): -17.2585 -17.2585 -17.1607 -17.1607 -14.2785 -14.2785 -14.1775 -14.1775 -14.1042 -14.1042 -13.9916 -13.9916 -3.2041 -3.2041 -2.9491 -2.9491 -1.9394 -1.9394 -1.6644 -1.6644 -1.5712 -1.5712 -1.3877 -1.3877 -1.0095 -1.0095 -0.7470 -0.7470 1.1095 1.1095 1.3780 1.3780 2.0012 2.0012 2.2441 2.2441 2.3387 2.3387 2.5068 2.5068 2.9991 2.9991 3.1161 3.1161 3.3322 3.3322 3.9450 3.9450 4.0571 4.0571 4.1181 4.1181 4.1740 4.1740 4.2427 4.2427 4.4611 4.4611 4.6007 4.6007 4.8281 4.8281 5.2356 5.2356 5.3048 5.3048 5.8831 5.8831 10.5987 10.5987 10.6349 10.6349 12.0890 12.0890 12.2631 12.2631 12.8754 12.8754 14.7594 14.7594 k = 0.5832 0.2618-0.4971 ( 3790 PWs) bands (ev): -17.2567 -17.2567 -17.1635 -17.1635 -14.2770 -14.2770 -14.1757 -14.1757 -14.1041 -14.1041 -13.9930 -13.9930 -3.2076 -3.2076 -2.9557 -2.9557 -1.9356 -1.9356 -1.6618 -1.6618 -1.5610 -1.5610 -1.3975 -1.3975 -1.0090 -1.0090 -0.7536 -0.7536 1.1194 1.1194 1.3789 1.3789 2.0016 2.0016 2.2369 2.2369 2.3349 2.3349 2.5248 2.5248 2.9851 2.9851 3.1119 3.1119 3.3447 3.3447 3.9354 3.9354 4.0563 4.0563 4.1149 4.1149 4.1694 4.1694 4.2453 4.2453 4.4631 4.4631 4.6070 4.6070 4.8477 4.8477 5.2355 5.2355 5.3062 5.3062 5.8733 5.8733 10.5828 10.5828 10.6280 10.6280 12.0732 12.0732 12.2706 12.2706 12.9060 12.9060 14.7772 14.7772 k = 0.5951 0.2671-0.4848 ( 3788 PWs) bands (ev): -17.2547 -17.2547 -17.1667 -17.1667 -14.2754 -14.2754 -14.1737 -14.1737 -14.1039 -14.1039 -13.9946 -13.9946 -3.2116 -3.2116 -2.9631 -2.9631 -1.9310 -1.9310 -1.6591 -1.6591 -1.5499 -1.5499 -1.4083 -1.4083 -1.0082 -1.0082 -0.7614 -0.7614 1.1305 1.1305 1.3801 1.3801 2.0020 2.0020 2.2286 2.2286 2.3323 2.3323 2.5437 2.5437 2.9716 2.9716 3.1074 3.1074 3.3566 3.3566 3.9228 3.9228 4.0547 4.0547 4.1127 4.1127 4.1679 4.1679 4.2483 4.2483 4.4648 4.4648 4.6113 4.6113 4.8704 4.8704 5.2355 5.2355 5.3078 5.3078 5.8620 5.8620 10.5650 10.5650 10.6201 10.6201 12.0549 12.0549 12.2796 12.2796 12.9407 12.9407 14.7974 14.7974 k = 0.6070 0.2725-0.4726 ( 3794 PWs) bands (ev): -17.2524 -17.2524 -17.1703 -17.1703 -14.2735 -14.2735 -14.1714 -14.1714 -14.1038 -14.1038 -13.9964 -13.9964 -3.2159 -3.2159 -2.9713 -2.9713 -1.9258 -1.9258 -1.6564 -1.6564 -1.5381 -1.5381 -1.4200 -1.4200 -1.0068 -1.0068 -0.7704 -0.7704 1.1429 1.1429 1.3815 1.3815 2.0023 2.0023 2.2192 2.2192 2.3311 2.3311 2.5634 2.5634 2.9589 2.9589 3.1023 3.1023 3.3678 3.3678 3.9069 3.9069 4.0528 4.0528 4.1121 4.1121 4.1687 4.1687 4.2518 4.2518 4.4662 4.4662 4.6135 4.6135 4.8957 4.8957 5.2353 5.2353 5.3098 5.3098 5.8493 5.8493 10.5455 10.5455 10.6113 10.6113 12.0341 12.0341 12.2902 12.2902 12.9793 12.9793 14.8197 14.8197 k = 0.6189 0.2778-0.4603 ( 3794 PWs) bands (ev): -17.2498 -17.2498 -17.1743 -17.1743 -14.2714 -14.2714 -14.1688 -14.1688 -14.1036 -14.1036 -13.9984 -13.9984 -3.2207 -3.2207 -2.9802 -2.9802 -1.9199 -1.9199 -1.6539 -1.6539 -1.5260 -1.5260 -1.4324 -1.4324 -1.0047 -1.0047 -0.7807 -0.7807 1.1566 1.1566 1.3832 1.3832 2.0024 2.0024 2.2086 2.2086 2.3314 2.3314 2.5838 2.5838 2.9475 2.9475 3.0964 3.0964 3.3783 3.3783 3.8881 3.8881 4.0512 4.0512 4.1129 4.1129 4.1713 4.1713 4.2557 4.2557 4.4676 4.4676 4.6140 4.6140 4.9232 4.9232 5.2352 5.2352 5.3121 5.3121 5.8351 5.8351 10.5247 10.5247 10.6016 10.6016 12.0108 12.0108 12.3025 12.3025 13.0215 13.0215 14.8438 14.8438 k = 0.6308 0.2831-0.4480 ( 3791 PWs) bands (ev): -17.2470 -17.2470 -17.1786 -17.1786 -14.2692 -14.2692 -14.1660 -14.1660 -14.1033 -14.1033 -14.0006 -14.0006 -3.2257 -3.2257 -2.9897 -2.9897 -1.9134 -1.9134 -1.6518 -1.6518 -1.5137 -1.5137 -1.4451 -1.4451 -1.0018 -1.0018 -0.7923 -0.7923 1.1713 1.1713 1.3853 1.3853 2.0024 2.0024 2.1972 2.1972 2.3331 2.3331 2.6049 2.6049 2.9375 2.9375 3.0898 3.0898 3.3880 3.3880 3.8672 3.8672 4.0503 4.0503 4.1148 4.1148 4.1750 4.1750 4.2601 4.2601 4.4688 4.4688 4.6128 4.6128 4.9522 4.9522 5.2352 5.2352 5.3147 5.3147 5.8196 5.8196 10.5026 10.5026 10.5911 10.5911 11.9849 11.9849 12.3165 12.3165 13.0673 13.0673 14.8663 14.8663 k = 0.6427 0.2885-0.4358 ( 3800 PWs) bands (ev): -17.2440 -17.2440 -17.1833 -17.1833 -14.2667 -14.2667 -14.1630 -14.1630 -14.1031 -14.1031 -14.0030 -14.0030 -3.2310 -3.2310 -2.9997 -2.9997 -1.9062 -1.9062 -1.6502 -1.6502 -1.5017 -1.5017 -1.4580 -1.4580 -0.9977 -0.9977 -0.8053 -0.8053 1.1870 1.1870 1.3879 1.3879 2.0021 2.0021 2.1848 2.1848 2.3364 2.3364 2.6265 2.6265 2.9291 2.9291 3.0821 3.0821 3.3969 3.3969 3.8446 3.8446 4.0502 4.0502 4.1174 4.1174 4.1795 4.1795 4.2648 4.2648 4.4698 4.4698 4.6103 4.6103 4.9821 4.9821 5.2353 5.2353 5.3176 5.3176 5.8027 5.8027 10.4796 10.4796 10.5797 10.5797 11.9566 11.9566 12.3324 12.3324 13.1163 13.1163 14.8444 14.8444 k = 0.6427 0.2885-0.4358 ( 3800 PWs) bands (ev): -17.2440 -17.2440 -17.1833 -17.1833 -14.2667 -14.2667 -14.1630 -14.1630 -14.1031 -14.1031 -14.0030 -14.0030 -3.2310 -3.2310 -2.9997 -2.9997 -1.9062 -1.9062 -1.6502 -1.6502 -1.5017 -1.5017 -1.4580 -1.4580 -0.9977 -0.9977 -0.8053 -0.8053 1.1870 1.1870 1.3879 1.3879 2.0021 2.0021 2.1848 2.1848 2.3364 2.3364 2.6265 2.6265 2.9291 2.9291 3.0821 3.0821 3.3969 3.3969 3.8446 3.8446 4.0502 4.0502 4.1174 4.1174 4.1795 4.1795 4.2648 4.2648 4.4698 4.4698 4.6103 4.6103 4.9821 4.9821 5.2353 5.2353 5.3176 5.3176 5.8027 5.8027 10.4796 10.4796 10.5797 10.5797 11.9566 11.9566 12.3324 12.3324 13.1163 13.1163 14.8444 14.8444 k = 0.6383 0.2865-0.4181 ( 3796 PWs) bands (ev): -17.2429 -17.2429 -17.1876 -17.1876 -14.2639 -14.2639 -14.1611 -14.1611 -14.1004 -14.1004 -14.0032 -14.0032 -3.2439 -3.2439 -3.0187 -3.0187 -1.8963 -1.8963 -1.6514 -1.6514 -1.5035 -1.5035 -1.4590 -1.4590 -0.9898 -0.9898 -0.8164 -0.8164 1.2107 1.2107 1.3938 1.3938 2.0138 2.0138 2.1787 2.1787 2.3448 2.3448 2.6320 2.6320 2.9214 2.9214 3.0836 3.0836 3.4054 3.4054 3.8313 3.8313 4.0442 4.0442 4.1190 4.1190 4.1849 4.1849 4.2677 4.2677 4.4718 4.4718 4.6096 4.6096 4.9971 4.9971 5.2327 5.2327 5.3173 5.3173 5.7866 5.7866 10.4509 10.4509 10.5550 10.5550 11.9524 11.9524 12.3704 12.3704 13.1223 13.1223 14.8203 14.8203 k = 0.6340 0.2846-0.4005 ( 3800 PWs) bands (ev): -17.2422 -17.2422 -17.1921 -17.1921 -14.2604 -14.2604 -14.1590 -14.1590 -14.0975 -14.0975 -14.0035 -14.0035 -3.2579 -3.2579 -3.0406 -3.0406 -1.8863 -1.8863 -1.6524 -1.6524 -1.5059 -1.5059 -1.4597 -1.4597 -0.9830 -0.9830 -0.8274 -0.8274 1.2370 1.2370 1.4023 1.4023 2.0239 2.0239 2.1716 2.1716 2.3559 2.3559 2.6392 2.6392 2.9160 2.9160 3.0861 3.0861 3.4125 3.4125 3.8158 3.8158 4.0396 4.0396 4.1209 4.1209 4.1907 4.1907 4.2711 4.2711 4.4733 4.4733 4.6079 4.6079 5.0117 5.0117 5.2307 5.2307 5.3166 5.3166 5.7691 5.7691 10.4197 10.4197 10.5249 10.5249 11.9532 11.9532 12.3984 12.3984 13.1401 13.1401 14.7983 14.7983 k = 0.6297 0.2826-0.3828 ( 3794 PWs) bands (ev): -17.2419 -17.2419 -17.1966 -17.1966 -14.2563 -14.2563 -14.1567 -14.1567 -14.0945 -14.0945 -14.0037 -14.0037 -3.2729 -3.2729 -3.0648 -3.0648 -1.8763 -1.8763 -1.6529 -1.6529 -1.5090 -1.5090 -1.4604 -1.4604 -0.9773 -0.9773 -0.8384 -0.8384 1.2655 1.2655 1.4135 1.4135 2.0321 2.0321 2.1637 2.1637 2.3701 2.3701 2.6481 2.6481 2.9131 2.9131 3.0897 3.0897 3.4182 3.4182 3.7983 3.7983 4.0366 4.0366 4.1231 4.1231 4.1967 4.1967 4.2750 4.2750 4.4746 4.4746 4.6055 4.6055 5.0257 5.0257 5.2294 5.2294 5.3157 5.3157 5.7502 5.7502 10.3862 10.3862 10.4900 10.4900 11.9582 11.9582 12.4159 12.4159 13.1703 13.1703 14.7791 14.7791 k = 0.6254 0.2807-0.3651 ( 3791 PWs) bands (ev): -17.2420 -17.2420 -17.2011 -17.2011 -14.2515 -14.2515 -14.1542 -14.1542 -14.0914 -14.0914 -14.0038 -14.0038 -3.2888 -3.2888 -3.0912 -3.0912 -1.8663 -1.8663 -1.6532 -1.6532 -1.5127 -1.5127 -1.4611 -1.4611 -0.9726 -0.9726 -0.8491 -0.8491 1.2959 1.2959 1.4270 1.4270 2.0383 2.0383 2.1550 2.1550 2.3875 2.3875 2.6585 2.6585 2.9125 2.9125 3.0943 3.0943 3.4225 3.4225 3.7789 3.7789 4.0351 4.0351 4.1255 4.1255 4.2028 4.2028 4.2794 4.2794 4.4753 4.4753 4.6024 4.6024 5.0391 5.0391 5.2288 5.2288 5.3145 5.3145 5.7303 5.7303 10.3506 10.3506 10.4508 10.4508 11.9664 11.9664 12.4233 12.4233 13.2123 13.2123 14.7631 14.7631 k = 0.6211 0.2788-0.3475 ( 3784 PWs) bands (ev): -17.2425 -17.2425 -17.2058 -17.2058 -14.2461 -14.2461 -14.1516 -14.1516 -14.0881 -14.0881 -14.0040 -14.0040 -3.3056 -3.3056 -3.1194 -3.1194 -1.8564 -1.8564 -1.6531 -1.6531 -1.5169 -1.5169 -1.4619 -1.4619 -0.9688 -0.9688 -0.8598 -0.8598 1.3278 1.3278 1.4427 1.4427 2.0424 2.0424 2.1455 2.1455 2.4082 2.4082 2.6702 2.6702 2.9144 2.9144 3.0998 3.0998 3.4255 3.4255 3.7579 3.7579 4.0352 4.0352 4.1283 4.1283 4.2089 4.2089 4.2842 4.2842 4.4755 4.4755 4.5986 4.5986 5.0517 5.0517 5.2289 5.2289 5.3132 5.3132 5.7094 5.7094 10.3130 10.3130 10.4081 10.4081 11.9769 11.9769 12.4219 12.4219 13.2650 13.2650 14.7507 14.7507 k = 0.6167 0.2768-0.3298 ( 3784 PWs) bands (ev): -17.2432 -17.2432 -17.2105 -17.2105 -14.2402 -14.2402 -14.1488 -14.1488 -14.0847 -14.0847 -14.0042 -14.0042 -3.3232 -3.3232 -3.1491 -3.1491 -1.8466 -1.8466 -1.6527 -1.6527 -1.5215 -1.5215 -1.4630 -1.4630 -0.9660 -0.9660 -0.8701 -0.8701 1.3610 1.3610 1.4605 1.4605 2.0446 2.0446 2.1356 2.1356 2.4319 2.4319 2.6833 2.6833 2.9186 2.9186 3.1061 3.1061 3.4272 3.4272 3.7354 3.7354 4.0365 4.0365 4.1312 4.1312 4.2148 4.2148 4.2892 4.2892 4.4752 4.4752 4.5944 4.5944 5.0635 5.0635 5.2297 5.2297 5.3118 5.3118 5.6879 5.6879 10.2737 10.2737 10.3626 10.3626 11.9889 11.9889 12.4133 12.4133 13.3268 13.3268 14.7421 14.7421 k = 0.6124 0.2749-0.3122 ( 3785 PWs) bands (ev): -17.2443 -17.2443 -17.2151 -17.2151 -14.2337 -14.2337 -14.1458 -14.1458 -14.0812 -14.0812 -14.0044 -14.0044 -3.3414 -3.3414 -3.1800 -3.1800 -1.8368 -1.8368 -1.6520 -1.6520 -1.5266 -1.5266 -1.4644 -1.4644 -0.9640 -0.9640 -0.8802 -0.8802 1.3951 1.3951 1.4801 1.4801 2.0450 2.0450 2.1252 2.1252 2.4584 2.4584 2.6976 2.6976 2.9250 2.9250 3.1131 3.1131 3.4277 3.4277 3.7117 3.7117 4.0390 4.0390 4.1345 4.1345 4.2206 4.2206 4.2945 4.2945 4.4743 4.4743 4.5897 4.5897 5.0745 5.0745 5.2311 5.2311 5.3103 5.3103 5.6657 5.6657 10.2329 10.2329 10.3148 10.3148 12.0014 12.0014 12.3991 12.3991 13.3960 13.3960 14.7376 14.7376 k = 0.6081 0.2729-0.2945 ( 3787 PWs) bands (ev): -17.2456 -17.2456 -17.2198 -17.2198 -14.2268 -14.2268 -14.1426 -14.1426 -14.0777 -14.0777 -14.0047 -14.0047 -3.3604 -3.3604 -3.2117 -3.2117 -1.8270 -1.8270 -1.6510 -1.6510 -1.5321 -1.5321 -1.4664 -1.4664 -0.9626 -0.9626 -0.8899 -0.8899 1.4297 1.4297 1.5013 1.5013 2.0440 2.0440 2.1145 2.1145 2.4875 2.4875 2.7131 2.7131 2.9336 2.9336 3.1208 3.1208 3.4271 3.4271 3.6869 3.6869 4.0425 4.0425 4.1382 4.1382 4.2262 4.2262 4.2998 4.2998 4.4727 4.4727 4.5845 4.5845 5.0847 5.0847 5.2332 5.2332 5.3087 5.3087 5.6433 5.6433 10.1908 10.1908 10.2653 10.2653 12.0137 12.0137 12.3807 12.3807 13.4712 13.4712 14.7375 14.7375 k = 0.6038 0.2710-0.2768 ( 3785 PWs) bands (ev): -17.2472 -17.2472 -17.2245 -17.2245 -14.2194 -14.2194 -14.1393 -14.1393 -14.0741 -14.0741 -14.0049 -14.0049 -3.3798 -3.3798 -3.2440 -3.2440 -1.8173 -1.8173 -1.6497 -1.6497 -1.5379 -1.5379 -1.4689 -1.4689 -0.9619 -0.9619 -0.8992 -0.8992 1.4646 1.4646 1.5239 1.5239 2.0417 2.0417 2.1036 2.1036 2.5187 2.5187 2.7297 2.7297 2.9442 2.9442 3.1291 3.1291 3.4254 3.4254 3.6613 3.6613 4.0470 4.0470 4.1422 4.1422 4.2316 4.2316 4.3052 4.3052 4.4704 4.4704 4.5788 4.5788 5.0944 5.0944 5.2358 5.2358 5.3071 5.3071 5.6208 5.6208 10.1476 10.1476 10.2145 10.2145 12.0252 12.0252 12.3592 12.3592 13.5514 13.5514 14.7420 14.7420 k = 0.5994 0.2691-0.2592 ( 3783 PWs) bands (ev): -17.2491 -17.2491 -17.2292 -17.2292 -14.2117 -14.2117 -14.1359 -14.1359 -14.0705 -14.0705 -14.0053 -14.0053 -3.3997 -3.3997 -3.2766 -3.2766 -1.8077 -1.8077 -1.6482 -1.6482 -1.5440 -1.5440 -1.4721 -1.4721 -0.9617 -0.9617 -0.9080 -0.9080 1.4995 1.4995 1.5477 1.5477 2.0384 2.0384 2.0927 2.0927 2.5518 2.5518 2.7473 2.7473 2.9566 2.9566 3.1378 3.1378 3.4229 3.4229 3.6351 3.6351 4.0523 4.0523 4.1465 4.1465 4.2369 4.2369 4.3104 4.3104 4.4674 4.4674 4.5726 4.5726 5.1036 5.1036 5.2387 5.2387 5.3056 5.3056 5.5983 5.5983 10.1036 10.1036 10.1631 10.1631 12.0354 12.0354 12.3356 12.3356 13.6358 13.6358 14.7513 14.7513 k = 0.5951 0.2671-0.2415 ( 3783 PWs) bands (ev): -17.2511 -17.2511 -17.2338 -17.2338 -14.2036 -14.2036 -14.1323 -14.1323 -14.0669 -14.0669 -14.0057 -14.0057 -3.4199 -3.4199 -3.3092 -3.3092 -1.7981 -1.7981 -1.6466 -1.6466 -1.5504 -1.5504 -1.4760 -1.4760 -0.9620 -0.9620 -0.9162 -0.9162 1.5340 1.5340 1.5723 1.5723 2.0344 2.0344 2.0819 2.0819 2.5865 2.5865 2.7659 2.7659 2.9704 2.9704 3.1469 3.1469 3.4196 3.4196 3.6083 3.6083 4.0584 4.0584 4.1512 4.1512 4.2419 4.2419 4.3155 4.3155 4.4637 4.4637 4.5660 4.5660 5.1124 5.1124 5.2419 5.2419 5.3041 5.3041 5.5760 5.5760 10.0589 10.0589 10.1112 10.1112 12.0439 12.0439 12.3104 12.3104 13.7236 13.7236 14.7655 14.7655 k = 0.5908 0.2652-0.2238 ( 3781 PWs) bands (ev): -17.2533 -17.2533 -17.2383 -17.2383 -14.1953 -14.1953 -14.1286 -14.1286 -14.0633 -14.0633 -14.0061 -14.0061 -3.4403 -3.4403 -3.3416 -3.3416 -1.7885 -1.7885 -1.6447 -1.6447 -1.5570 -1.5570 -1.4806 -1.4806 -0.9625 -0.9625 -0.9240 -0.9240 1.5679 1.5679 1.5976 1.5976 2.0298 2.0298 2.0712 2.0712 2.6224 2.6224 2.7853 2.7853 2.9854 2.9854 3.1564 3.1564 3.4157 3.4157 3.5811 3.5811 4.0652 4.0652 4.1561 4.1561 4.2467 4.2467 4.3202 4.3202 4.4593 4.4593 4.5590 4.5590 5.1211 5.1211 5.2453 5.2453 5.3028 5.3028 5.5541 5.5541 10.0138 10.0138 10.0594 10.0594 12.0503 12.0503 12.2843 12.2843 13.8143 13.8143 14.7846 14.7846 k = 0.5865 0.2632-0.2062 ( 3783 PWs) bands (ev): -17.2557 -17.2557 -17.2428 -17.2428 -14.1868 -14.1868 -14.1248 -14.1248 -14.0598 -14.0598 -14.0066 -14.0066 -3.4608 -3.4608 -3.3736 -3.3736 -1.7790 -1.7790 -1.6428 -1.6428 -1.5638 -1.5638 -1.4859 -1.4859 -0.9634 -0.9634 -0.9311 -0.9311 1.6011 1.6011 1.6234 1.6234 2.0247 2.0247 2.0608 2.0608 2.6593 2.6593 2.8056 2.8056 3.0012 3.0012 3.1661 3.1661 3.4113 3.4113 3.5538 3.5538 4.0726 4.0726 4.1613 4.1613 4.2513 4.2513 4.3245 4.3245 4.4543 4.4543 4.5516 4.5516 5.1298 5.1298 5.2486 5.2486 5.3017 5.3017 5.5327 5.5327 9.9686 9.9686 10.0079 10.0079 12.0545 12.0545 12.2575 12.2575 13.9077 13.9077 14.8086 14.8086 k = 0.5821 0.2613-0.1885 ( 3786 PWs) bands (ev): -17.2581 -17.2581 -17.2472 -17.2472 -14.1781 -14.1781 -14.1209 -14.1209 -14.0564 -14.0564 -14.0073 -14.0073 -3.4813 -3.4813 -3.4050 -3.4050 -1.7695 -1.7695 -1.6407 -1.6407 -1.5706 -1.5706 -1.4919 -1.4919 -0.9644 -0.9644 -0.9376 -0.9376 1.6332 1.6332 1.6494 1.6494 2.0194 2.0194 2.0508 2.0508 2.6969 2.6969 2.8267 2.8267 3.0172 3.0172 3.1761 3.1761 3.4066 3.4066 3.5264 3.5264 4.0806 4.0806 4.1667 4.1667 4.2557 4.2557 4.3282 4.3282 4.4486 4.4486 4.5438 4.5438 5.1385 5.1385 5.2519 5.2519 5.3006 5.3006 5.5119 5.5119 9.9234 9.9234 9.9569 9.9569 12.0564 12.0564 12.2306 12.2306 14.0033 14.0033 14.8376 14.8376 k = 0.5778 0.2594-0.1709 ( 3774 PWs) bands (ev): -17.2607 -17.2607 -17.2514 -17.2514 -14.1693 -14.1693 -14.1169 -14.1169 -14.0531 -14.0531 -14.0080 -14.0080 -3.5017 -3.5017 -3.4356 -3.4356 -1.7601 -1.7601 -1.6386 -1.6386 -1.5775 -1.5775 -1.4986 -1.4986 -0.9655 -0.9655 -0.9435 -0.9435 1.6642 1.6642 1.6755 1.6755 2.0139 2.0139 2.0412 2.0412 2.7348 2.7348 2.8486 2.8486 3.0331 3.0331 3.1865 3.1865 3.4017 3.4017 3.4992 3.4992 4.0892 4.0892 4.1723 4.1723 4.2599 4.2599 4.3314 4.3314 4.4425 4.4425 4.5359 4.5359 5.1474 5.1474 5.2550 5.2550 5.2999 5.2999 5.4919 5.4919 9.8785 9.8785 9.9068 9.9068 12.0559 12.0559 12.2037 12.2037 14.1010 14.1010 14.8713 14.8713 k = 0.5735 0.2574-0.1532 ( 3767 PWs) bands (ev): -17.2633 -17.2633 -17.2555 -17.2555 -14.1605 -14.1605 -14.1128 -14.1128 -14.0499 -14.0499 -14.0088 -14.0088 -3.5218 -3.5218 -3.4652 -3.4652 -1.7508 -1.7508 -1.6365 -1.6365 -1.5844 -1.5844 -1.5059 -1.5059 -0.9668 -0.9668 -0.9488 -0.9488 1.6938 1.6938 1.7015 1.7015 2.0084 2.0084 2.0321 2.0321 2.7728 2.7728 2.8711 2.8711 3.0482 3.0482 3.1971 3.1971 3.3968 3.3968 3.4724 3.4724 4.0982 4.0982 4.1780 4.1780 4.2638 4.2638 4.3339 4.3339 4.4360 4.4360 4.5279 4.5279 5.1564 5.1564 5.2579 5.2579 5.2993 5.2993 5.4727 5.4727 9.8342 9.8342 9.8579 9.8579 12.0532 12.0532 12.1771 12.1771 14.2006 14.2006 14.9095 14.9095 k = 0.5692 0.2555-0.1355 ( 3767 PWs) bands (ev): -17.2659 -17.2659 -17.2595 -17.2595 -14.1516 -14.1516 -14.1087 -14.1087 -14.0470 -14.0470 -14.0097 -14.0097 -3.5416 -3.5416 -3.4937 -3.4937 -1.7416 -1.7416 -1.6344 -1.6344 -1.5911 -1.5911 -1.5138 -1.5138 -0.9680 -0.9680 -0.9535 -0.9535 1.7216 1.7216 1.7274 1.7274 2.0029 2.0029 2.0235 2.0235 2.8104 2.8104 2.8946 2.8946 3.0620 3.0620 3.2082 3.2082 3.3919 3.3919 3.4463 3.4463 4.1076 4.1076 4.1838 4.1838 4.2674 4.2674 4.3355 4.3355 4.4294 4.4294 4.5198 4.5198 5.1656 5.1656 5.2605 5.2605 5.2988 5.2988 5.4542 5.4542 9.7907 9.7907 9.8102 9.8102 12.0484 12.0484 12.1510 12.1510 14.3018 14.3018 14.9522 14.9522 k = 0.5648 0.2535-0.1179 ( 3771 PWs) bands (ev): -17.2686 -17.2686 -17.2633 -17.2633 -14.1428 -14.1428 -14.1045 -14.1045 -14.0442 -14.0442 -14.0108 -14.0108 -3.5610 -3.5610 -3.5209 -3.5209 -1.7326 -1.7326 -1.6323 -1.6323 -1.5977 -1.5977 -1.5221 -1.5221 -0.9693 -0.9693 -0.9576 -0.9576 1.7477 1.7477 1.7530 1.7530 1.9975 1.9975 2.0154 2.0154 2.8470 2.8470 2.9190 2.9190 3.0738 3.0738 3.2198 3.2198 3.3866 3.3866 3.4214 3.4214 4.1174 4.1174 4.1897 4.1897 4.2706 4.2706 4.3360 4.3360 4.4230 4.4230 4.5119 4.5119 5.1750 5.1750 5.2628 5.2628 5.2985 5.2985 5.4366 5.4366 9.7482 9.7482 9.7641 9.7641 12.0418 12.0418 12.1255 12.1255 14.4046 14.4046 14.9989 14.9989 k = 0.5605 0.2516-0.1002 ( 3761 PWs) bands (ev): -17.2712 -17.2712 -17.2669 -17.2669 -14.1341 -14.1341 -14.1003 -14.1003 -14.0417 -14.0417 -14.0120 -14.0120 -3.5798 -3.5798 -3.5467 -3.5467 -1.7237 -1.7237 -1.6304 -1.6304 -1.6040 -1.6040 -1.5308 -1.5308 -0.9705 -0.9705 -0.9613 -0.9613 1.7723 1.7723 1.7780 1.7780 1.9924 1.9924 2.0079 2.0079 2.8820 2.8820 2.9447 2.9447 3.0832 3.0832 3.2319 3.2319 3.3793 3.3793 3.3999 3.3999 4.1276 4.1276 4.1956 4.1956 4.2735 4.2735 4.3354 4.3354 4.4169 4.4169 4.5041 4.5041 5.1845 5.1845 5.2648 5.2648 5.2984 5.2984 5.4201 5.4201 9.7070 9.7070 9.7198 9.7198 12.0336 12.0336 12.1010 12.1010 14.5088 14.5088 15.0494 15.0494 k = 0.5562 0.2497-0.0826 ( 3754 PWs) bands (ev): -17.2738 -17.2738 -17.2704 -17.2704 -14.1256 -14.1256 -14.0960 -14.0960 -14.0394 -14.0394 -14.0133 -14.0133 -3.5978 -3.5978 -3.5711 -3.5711 -1.7150 -1.7150 -1.6287 -1.6287 -1.6099 -1.6099 -1.5397 -1.5397 -0.9716 -0.9716 -0.9644 -0.9644 1.7955 1.7955 1.8017 1.8017 1.9874 1.9874 2.0010 2.0010 2.9146 2.9146 2.9722 2.9722 3.0900 3.0900 3.2445 3.2445 3.3644 3.3644 3.3874 3.3874 4.1379 4.1379 4.2014 4.2014 4.2759 4.2759 4.3335 4.3335 4.4117 4.4117 4.4967 4.4967 5.1941 5.1941 5.2666 5.2666 5.2984 5.2984 5.4044 5.4044 9.6673 9.6673 9.6775 9.6775 12.0241 12.0241 12.0774 12.0774 14.6142 14.6142 15.1034 15.1034 k = 0.5519 0.2477-0.0649 ( 3753 PWs) bands (ev): -17.2763 -17.2763 -17.2736 -17.2736 -14.1172 -14.1172 -14.0918 -14.0918 -14.0374 -14.0374 -14.0148 -14.0148 -3.6152 -3.6152 -3.5939 -3.5939 -1.7065 -1.7065 -1.6273 -1.6273 -1.6154 -1.6154 -1.5488 -1.5488 -0.9727 -0.9727 -0.9671 -0.9671 1.8175 1.8175 1.8241 1.8241 1.9828 1.9828 1.9946 1.9946 2.9439 2.9439 3.0015 3.0015 3.0943 3.0943 3.2572 3.2572 3.3443 3.3443 3.3817 3.3817 4.1484 4.1484 4.2071 4.2071 4.2778 4.2778 4.3303 4.3303 4.4074 4.4074 4.4896 4.4896 5.2037 5.2037 5.2681 5.2681 5.2985 5.2985 5.3896 5.3896 9.6294 9.6294 9.6373 9.6373 12.0135 12.0135 12.0550 12.0550 14.7208 14.7208 15.1605 15.1605 k = 0.5476 0.2458-0.0472 ( 3757 PWs) bands (ev): -17.2786 -17.2786 -17.2766 -17.2766 -14.1091 -14.1091 -14.0875 -14.0875 -14.0357 -14.0357 -14.0164 -14.0164 -3.6316 -3.6316 -3.6150 -3.6150 -1.6983 -1.6983 -1.6265 -1.6265 -1.6199 -1.6199 -1.5579 -1.5579 -0.9737 -0.9737 -0.9695 -0.9695 1.8382 1.8382 1.8448 1.8448 1.9785 1.9785 1.9888 1.9888 2.9700 2.9700 3.0325 3.0325 3.0963 3.0963 3.2696 3.2696 3.3244 3.3244 3.3777 3.3777 4.1589 4.1589 4.2126 4.2126 4.2792 4.2792 4.3258 4.3258 4.4043 4.4043 4.4827 4.4827 5.2131 5.2131 5.2694 5.2694 5.2986 5.2986 5.3759 5.3759 9.5934 9.5934 9.5995 9.5995 12.0024 12.0024 12.0340 12.0340 14.8283 14.8283 15.2204 15.2204 k = 0.5432 0.2438-0.0296 ( 3757 PWs) bands (ev): -17.2809 -17.2809 -17.2794 -17.2794 -14.1013 -14.1013 -14.0833 -14.0833 -14.0344 -14.0344 -14.0182 -14.0182 -3.6470 -3.6470 -3.6344 -3.6344 -1.6903 -1.6903 -1.6277 -1.6277 -1.6222 -1.6222 -1.5669 -1.5669 -0.9747 -0.9747 -0.9714 -0.9714 1.8576 1.8576 1.8640 1.8640 1.9746 1.9746 1.9836 1.9836 2.9930 2.9930 3.0640 3.0640 3.0965 3.0965 3.2811 3.2811 3.3065 3.3065 3.3741 3.3741 4.1695 4.1695 4.2180 4.2180 4.2799 4.2799 4.3203 4.3203 4.4024 4.4024 4.4763 4.4763 5.2223 5.2223 5.2705 5.2705 5.2987 5.2987 5.3632 5.3632 9.5597 9.5597 9.5643 9.5643 11.9909 11.9909 12.0144 12.0144 14.9368 14.9368 15.2827 15.2827 k = 0.5389 0.2419-0.0119 ( 3748 PWs) bands (ev): -17.2830 -17.2830 -17.2819 -17.2819 -14.0937 -14.0937 -14.0791 -14.0791 -14.0335 -14.0335 -14.0201 -14.0201 -3.6613 -3.6613 -3.6521 -3.6521 -1.6827 -1.6827 -1.6308 -1.6308 -1.6223 -1.6223 -1.5757 -1.5757 -0.9755 -0.9755 -0.9731 -0.9731 1.8754 1.8754 1.8815 1.8815 1.9712 1.9712 1.9790 1.9790 3.0133 3.0133 3.0918 3.0918 3.0989 3.0989 3.2866 3.2866 3.2959 3.2959 3.3703 3.3703 4.1800 4.1800 4.2232 4.2232 4.2801 4.2801 4.3142 4.3142 4.4016 4.4016 4.4702 4.4702 5.2312 5.2312 5.2714 5.2714 5.2989 5.2989 5.3515 5.3515 9.5285 9.5285 9.5318 9.5318 11.9793 11.9793 11.9963 11.9963 15.0459 15.0459 15.3471 15.3471 k = 0.5346 0.2400 0.0058 ( 3744 PWs) bands (ev): -17.2850 -17.2850 -17.2842 -17.2842 -14.0865 -14.0865 -14.0750 -14.0750 -14.0329 -14.0329 -14.0222 -14.0222 -3.6745 -3.6745 -3.6679 -3.6679 -1.6755 -1.6755 -1.6340 -1.6340 -1.6221 -1.6221 -1.5843 -1.5843 -0.9763 -0.9763 -0.9744 -0.9744 1.8917 1.8917 1.8973 1.8973 1.9681 1.9681 1.9748 1.9748 3.0307 3.0307 3.0917 3.0917 3.1271 3.1271 3.2759 3.2759 3.3030 3.3030 3.3661 3.3661 4.1902 4.1902 4.2281 4.2281 4.2797 4.2797 4.3076 4.3076 4.4017 4.4017 4.4644 4.4644 5.2397 5.2397 5.2721 5.2721 5.2989 5.2989 5.3409 5.3409 9.4998 9.4998 9.5022 9.5022 11.9681 11.9681 11.9799 11.9799 15.1554 15.1554 15.4131 15.4131 k = 0.5303 0.2380 0.0234 ( 3746 PWs) bands (ev): -17.2868 -17.2868 -17.2863 -17.2863 -14.0797 -14.0797 -14.0709 -14.0709 -14.0327 -14.0327 -14.0245 -14.0245 -3.6863 -3.6863 -3.6819 -3.6819 -1.6687 -1.6687 -1.6366 -1.6366 -1.6220 -1.6220 -1.5925 -1.5925 -0.9769 -0.9769 -0.9755 -0.9755 1.9063 1.9063 1.9113 1.9113 1.9655 1.9655 1.9713 1.9713 3.0452 3.0452 3.0887 3.0887 3.1563 3.1563 3.2667 3.2667 3.3105 3.3105 3.3610 3.3610 4.2002 4.2002 4.2328 4.2328 4.2787 4.2787 4.3009 4.3009 4.4027 4.4027 4.4588 4.4588 5.2476 5.2476 5.2728 5.2728 5.2989 5.2989 5.3313 5.3313 9.4741 9.4741 9.4757 9.4757 11.9574 11.9574 11.9653 11.9653 15.2652 15.2652 15.4803 15.4803 k = 0.5259 0.2361 0.0411 ( 3744 PWs) bands (ev): -17.2884 -17.2884 -17.2880 -17.2880 -14.0733 -14.0733 -14.0668 -14.0668 -14.0330 -14.0330 -14.0269 -14.0269 -3.6969 -3.6969 -3.6940 -3.6940 -1.6623 -1.6623 -1.6386 -1.6386 -1.6223 -1.6223 -1.6002 -1.6002 -0.9775 -0.9775 -0.9764 -0.9764 1.9191 1.9191 1.9234 1.9234 1.9634 1.9634 1.9682 1.9682 3.0563 3.0563 3.0854 3.0854 3.1838 3.1838 3.2613 3.2613 3.3162 3.3162 3.3551 3.3551 4.2097 4.2097 4.2371 4.2371 4.2773 4.2773 4.2942 4.2942 4.4044 4.4044 4.4535 4.4535 5.2549 5.2549 5.2735 5.2735 5.2986 5.2986 5.3229 5.3229 9.4513 9.4513 9.4524 9.4524 11.9475 11.9475 11.9525 11.9525 15.3746 15.3746 15.5483 15.5483 k = 0.5216 0.2341 0.0587 ( 3748 PWs) bands (ev): -17.2897 -17.2897 -17.2895 -17.2895 -14.0674 -14.0674 -14.0629 -14.0629 -14.0337 -14.0337 -14.0295 -14.0295 -3.7059 -3.7059 -3.7043 -3.7043 -1.6563 -1.6563 -1.6398 -1.6398 -1.6229 -1.6229 -1.6074 -1.6074 -0.9780 -0.9780 -0.9772 -0.9772 1.9300 1.9300 1.9335 1.9335 1.9619 1.9619 1.9657 1.9657 3.0640 3.0640 3.0822 3.0822 3.2092 3.2092 3.2602 3.2602 3.3197 3.3197 3.3481 3.3481 4.2188 4.2188 4.2412 4.2412 4.2754 4.2754 4.2878 4.2878 4.4067 4.4067 4.4483 4.4483 5.2614 5.2614 5.2742 5.2742 5.2982 5.2982 5.3156 5.3156 9.4317 9.4317 9.4324 9.4324 11.9386 11.9386 11.9416 11.9416 15.4831 15.4831 15.6164 15.6164 k = 0.5173 0.2322 0.0764 ( 3742 PWs) bands (ev): -17.2909 -17.2909 -17.2908 -17.2908 -14.0618 -14.0618 -14.0590 -14.0590 -14.0349 -14.0349 -14.0322 -14.0322 -3.7135 -3.7135 -3.7126 -3.7126 -1.6508 -1.6508 -1.6403 -1.6403 -1.6240 -1.6240 -1.6139 -1.6139 -0.9783 -0.9783 -0.9777 -0.9777 1.9389 1.9389 1.9415 1.9415 1.9610 1.9610 1.9639 1.9639 3.0686 3.0686 3.0794 3.0794 3.2323 3.2323 3.2630 3.2630 3.3209 3.3209 3.3401 3.3401 4.2273 4.2273 4.2450 4.2450 4.2732 4.2732 4.2817 4.2817 4.4095 4.4095 4.4433 4.4433 5.2671 5.2671 5.2750 5.2750 5.2976 5.2976 5.3095 5.3095 9.4155 9.4155 9.4159 9.4159 11.9311 11.9311 11.9327 11.9327 15.5893 15.5893 15.6837 15.6837 k = 0.5130 0.2302 0.0941 ( 3740 PWs) bands (ev): -17.2918 -17.2918 -17.2917 -17.2917 -14.0568 -14.0568 -14.0552 -14.0552 -14.0365 -14.0365 -14.0350 -14.0350 -3.7195 -3.7195 -3.7191 -3.7191 -1.6458 -1.6458 -1.6400 -1.6400 -1.6255 -1.6255 -1.6198 -1.6198 -0.9786 -0.9786 -0.9782 -0.9782 1.9455 1.9455 1.9471 1.9471 1.9610 1.9610 1.9629 1.9629 3.0708 3.0708 3.0771 3.0771 3.2529 3.2529 3.2692 3.2692 3.3196 3.3196 3.3310 3.3310 4.2352 4.2352 4.2484 4.2484 4.2707 4.2707 4.2759 4.2759 4.4128 4.4128 4.4384 4.4384 5.2718 5.2718 5.2758 5.2758 5.2968 5.2968 5.3046 5.3046 9.4027 9.4027 9.4030 9.4030 11.9249 11.9249 11.9258 11.9258 15.6907 15.6907 15.7487 15.7487 k = 0.5086 0.2283 0.1117 ( 3736 PWs) bands (ev): -17.2924 -17.2924 -17.2924 -17.2924 -14.0522 -14.0522 -14.0515 -14.0515 -14.0387 -14.0387 -14.0381 -14.0381 -3.7238 -3.7238 -3.7236 -3.7236 -1.6414 -1.6414 -1.6389 -1.6389 -1.6274 -1.6274 -1.6249 -1.6249 -0.9788 -0.9788 -0.9785 -0.9785 1.9497 1.9497 1.9503 1.9503 1.9619 1.9619 1.9627 1.9627 3.0717 3.0717 3.0754 3.0754 3.2707 3.2707 3.2777 3.2777 3.3157 3.3157 3.3211 3.3211 4.2423 4.2423 4.2515 4.2515 4.2680 4.2680 4.2706 4.2706 4.4164 4.4164 4.4336 4.4336 5.2753 5.2753 5.2768 5.2768 5.2960 5.2960 5.3009 5.3009 9.3935 9.3935 9.3937 9.3937 11.9204 11.9204 11.9208 11.9208 15.7817 15.7817 15.8086 15.8086 k = 0.5043 0.2264 0.1294 ( 3729 PWs) bands (ev): -17.2928 -17.2928 -17.2928 -17.2928 -14.0481 -14.0481 -14.0480 -14.0480 -14.0413 -14.0413 -14.0412 -14.0412 -3.7264 -3.7264 -3.7264 -3.7264 -1.6377 -1.6377 -1.6372 -1.6372 -1.6296 -1.6296 -1.6290 -1.6290 -0.9789 -0.9789 -0.9787 -0.9787 1.9515 1.9515 1.9518 1.9518 1.9629 1.9629 1.9632 1.9632 3.0723 3.0723 3.0740 3.0740 3.2855 3.2855 3.2876 3.2876 3.3094 3.3094 3.3108 3.3108 4.2484 4.2484 4.2536 4.2536 4.2655 4.2655 4.2663 4.2663 4.4204 4.4204 4.4290 4.4290 5.2771 5.2771 5.2778 5.2778 5.2958 5.2958 5.2983 5.2983 9.3880 9.3880 9.3881 9.3881 11.9177 11.9177 11.9179 11.9179 15.8492 15.8492 15.8569 15.8569 k = 0.5000 0.2244 0.1471 ( 3724 PWs) bands (ev): -17.2929 -17.2929 -17.2929 -17.2929 -14.0449 -14.0449 -14.0449 -14.0449 -14.0440 -14.0440 -14.0440 -14.0440 -3.7273 -3.7273 -3.7273 -3.7273 -1.6359 -1.6359 -1.6359 -1.6359 -1.6310 -1.6310 -1.6310 -1.6310 -0.9788 -0.9788 -0.9788 -0.9788 1.9520 1.9520 1.9522 1.9522 1.9634 1.9634 1.9636 1.9636 3.0729 3.0729 3.0730 3.0730 3.2947 3.2947 3.2948 3.2948 3.3032 3.3032 3.3033 3.3033 4.2525 4.2525 4.2532 4.2532 4.2639 4.2639 4.2647 4.2647 4.4242 4.4242 4.4250 4.4250 5.2776 5.2776 5.2783 5.2783 5.2963 5.2963 5.2969 5.2969 9.3861 9.3861 9.3862 9.3862 11.9168 11.9168 11.9169 11.9169 15.8760 15.8760 15.8761 15.8761 k = 0.5000-0.4448-0.2914 ( 3792 PWs) bands (ev): -17.2133 -17.2133 -17.2133 -17.2133 -14.1850 -14.1850 -14.1850 -14.1850 -14.0852 -14.0852 -14.0852 -14.0852 -3.0831 -3.0831 -3.0831 -3.0831 -1.8161 -1.8161 -1.8161 -1.8161 -1.4042 -1.4042 -1.4042 -1.4042 -1.0046 -1.0046 -1.0046 -1.0046 1.3258 1.3258 1.3258 1.3258 1.9021 1.9021 1.9022 1.9022 2.6832 2.6832 2.6833 2.6833 2.9612 2.9612 2.9614 2.9614 3.4904 3.4904 3.4908 3.4908 4.1378 4.1378 4.1386 4.1386 4.2814 4.2814 4.2822 4.2822 4.5132 4.5132 4.5139 4.5139 5.3296 5.3296 5.3303 5.3303 5.4862 5.4862 5.4867 5.4867 10.4431 10.4431 10.4431 10.4431 11.8270 11.8270 11.8271 11.8271 14.6136 14.6136 14.6136 14.6136 k = 0.5130-0.4346-0.2847 ( 3786 PWs) bands (ev): -17.2142 -17.2142 -17.2124 -17.2124 -14.1900 -14.1900 -14.1799 -14.1799 -14.0896 -14.0896 -14.0808 -14.0808 -3.0911 -3.0911 -3.0751 -3.0751 -1.8262 -1.8262 -1.8053 -1.8053 -1.4175 -1.4175 -1.3915 -1.3915 -1.0158 -1.0158 -0.9931 -0.9931 1.3166 1.3166 1.3349 1.3349 1.8924 1.8924 1.9129 1.9129 2.6607 2.6607 2.7058 2.7058 2.9575 2.9575 2.9640 2.9640 3.4816 3.4816 3.5005 3.5005 4.1357 4.1357 4.1404 4.1404 4.2764 4.2764 4.2869 4.2869 4.5084 4.5084 4.5187 4.5187 5.3259 5.3259 5.3335 5.3335 5.4664 5.4664 5.5063 5.5063 10.4365 10.4365 10.4505 10.4505 11.8145 11.8145 11.8411 11.8411 14.5843 14.5843 14.6359 14.6359 k = 0.5259-0.4244-0.2781 ( 3784 PWs) bands (ev): -17.2150 -17.2150 -17.2116 -17.2116 -14.1951 -14.1951 -14.1750 -14.1750 -14.0939 -14.0939 -14.0765 -14.0765 -3.0992 -3.0992 -3.0674 -3.0674 -1.8356 -1.8356 -1.7939 -1.7939 -1.4310 -1.4310 -1.3794 -1.3794 -1.0265 -1.0265 -0.9814 -0.9814 1.3072 1.3072 1.3438 1.3438 1.8837 1.8837 1.9243 1.9243 2.6383 2.6383 2.7284 2.7284 2.9524 2.9524 2.9654 2.9654 3.4735 3.4735 3.5113 3.5113 4.1331 4.1331 4.1423 4.1423 4.2706 4.2706 4.2915 4.2915 4.5034 4.5034 4.5239 4.5239 5.3216 5.3216 5.3366 5.3366 5.4460 5.4460 5.5257 5.5257 10.4308 10.4308 10.4587 10.4587 11.8033 11.8033 11.8564 11.8564 14.5477 14.5477 14.6522 14.6522 k = 0.5389-0.4142-0.2714 ( 3775 PWs) bands (ev): -17.2159 -17.2159 -17.2107 -17.2107 -14.2001 -14.2001 -14.1700 -14.1700 -14.0982 -14.0982 -14.0721 -14.0721 -3.1074 -3.1074 -3.0599 -3.0599 -1.8444 -1.8444 -1.7819 -1.7819 -1.4447 -1.4447 -1.3685 -1.3685 -1.0364 -1.0364 -0.9697 -0.9697 1.2980 1.2980 1.3523 1.3523 1.8761 1.8761 1.9364 1.9364 2.6161 2.6161 2.7510 2.7510 2.9460 2.9460 2.9659 2.9659 3.4661 3.4661 3.5230 3.5230 4.1302 4.1302 4.1439 4.1439 4.2647 4.2647 4.2958 4.2958 4.4986 4.4986 4.5291 4.5291 5.3168 5.3168 5.3392 5.3392 5.4253 5.4253 5.5447 5.5447 10.4260 10.4260 10.4674 10.4674 11.7937 11.7937 11.8731 11.8731 14.5036 14.5036 14.6634 14.6634 k = 0.5519-0.4040-0.2647 ( 3767 PWs) bands (ev): -17.2167 -17.2167 -17.2097 -17.2097 -14.2051 -14.2051 -14.1652 -14.1652 -14.1025 -14.1025 -14.0678 -14.0678 -3.1156 -3.1156 -3.0526 -3.0526 -1.8524 -1.8524 -1.7694 -1.7694 -1.4582 -1.4582 -1.3589 -1.3589 -1.0452 -1.0452 -0.9582 -0.9582 1.2888 1.2888 1.3603 1.3603 1.8698 1.8698 1.9491 1.9491 2.5941 2.5941 2.7733 2.7733 2.9382 2.9382 2.9656 2.9656 3.4595 3.4595 3.5356 3.5356 4.1271 4.1271 4.1452 4.1452 4.2586 4.2586 4.2994 4.2994 4.4939 4.4939 4.5342 4.5342 5.3116 5.3116 5.3414 5.3414 5.4046 5.4046 5.5633 5.5633 10.4222 10.4222 10.4767 10.4767 11.7856 11.7856 11.8911 11.8911 14.4522 14.4522 14.6704 14.6704 k = 0.5648-0.3938-0.2580 ( 3768 PWs) bands (ev): -17.2176 -17.2176 -17.2088 -17.2088 -14.2100 -14.2100 -14.1604 -14.1604 -14.1067 -14.1067 -14.0635 -14.0635 -3.1238 -3.1238 -3.0456 -3.0456 -1.8598 -1.8598 -1.7564 -1.7564 -1.4715 -1.4715 -1.3511 -1.3511 -1.0527 -1.0527 -0.9468 -0.9468 1.2797 1.2797 1.3677 1.3677 1.8650 1.8650 1.9622 1.9622 2.5726 2.5726 2.7953 2.7953 2.9290 2.9290 2.9644 2.9644 3.4535 3.4535 3.5491 3.5491 4.1238 4.1238 4.1462 4.1462 4.2523 4.2523 4.3024 4.3024 4.4895 4.4895 4.5393 4.5393 5.3059 5.3059 5.3428 5.3428 5.3840 5.3840 5.5814 5.5814 10.4194 10.4194 10.4864 10.4864 11.7791 11.7791 11.9103 11.9103 14.3940 14.3940 14.6744 14.6744 k = 0.5778-0.3836-0.2513 ( 3770 PWs) bands (ev): -17.2185 -17.2185 -17.2078 -17.2078 -14.2149 -14.2149 -14.1557 -14.1557 -14.1108 -14.1108 -14.0592 -14.0592 -3.1319 -3.1319 -3.0389 -3.0389 -1.8666 -1.8666 -1.7429 -1.7429 -1.4844 -1.4844 -1.3454 -1.3454 -1.0586 -1.0586 -0.9357 -0.9357 1.2709 1.2709 1.3744 1.3744 1.8616 1.8616 1.9757 1.9757 2.5514 2.5514 2.8170 2.8170 2.9184 2.9184 2.9627 2.9627 3.4480 3.4480 3.5635 3.5635 4.1203 4.1203 4.1468 4.1468 4.2460 4.2460 4.3048 4.3048 4.4854 4.4854 4.5442 4.5442 5.2996 5.2996 5.3428 5.3428 5.3645 5.3645 5.5990 5.5990 10.4176 10.4176 10.4963 10.4963 11.7743 11.7743 11.9307 11.9307 14.3300 14.3300 14.6762 14.6762 k = 0.5908-0.3734-0.2446 ( 3778 PWs) bands (ev): -17.2195 -17.2195 -17.2067 -17.2067 -14.2197 -14.2197 -14.1511 -14.1511 -14.1149 -14.1149 -14.0550 -14.0550 -3.1399 -3.1399 -3.0326 -3.0326 -1.8726 -1.8726 -1.7291 -1.7291 -1.4968 -1.4968 -1.3421 -1.3421 -1.0625 -1.0625 -0.9249 -0.9249 1.2623 1.2623 1.3803 1.3803 1.8600 1.8600 1.9895 1.9895 2.5307 2.5307 2.8381 2.8381 2.9066 2.9066 2.9605 2.9605 3.4430 3.4430 3.5787 3.5787 4.1166 4.1166 4.1471 4.1471 4.2396 4.2396 4.3063 4.3063 4.4816 4.4816 4.5491 4.5491 5.2921 5.2921 5.3365 5.3365 5.3515 5.3515 5.6161 5.6161 10.4167 10.4167 10.5064 10.5064 11.7711 11.7711 11.9522 11.9522 14.2610 14.2610 14.6767 14.6767 k = 0.6038-0.3632-0.2379 ( 3783 PWs) bands (ev): -17.2205 -17.2205 -17.2056 -17.2056 -14.2243 -14.2243 -14.1467 -14.1467 -14.1189 -14.1189 -14.0508 -14.0508 -3.1479 -3.1479 -3.0267 -3.0267 -1.8781 -1.8781 -1.7151 -1.7151 -1.5085 -1.5085 -1.3414 -1.3414 -1.0643 -1.0643 -0.9144 -0.9144 1.2541 1.2541 1.3853 1.3853 1.8601 1.8601 2.0035 2.0035 2.5105 2.5105 2.8585 2.8585 2.8937 2.8937 2.9581 2.9581 3.4385 3.4385 3.5946 3.5946 4.1128 4.1128 4.1470 4.1470 4.2333 4.2333 4.3072 4.3072 4.4783 4.4783 4.5539 4.5539 5.2827 5.2827 5.3211 5.3211 5.3488 5.3488 5.6327 5.6327 10.4169 10.4169 10.5164 10.5164 11.7698 11.7698 11.9749 11.9749 14.1879 14.1879 14.6767 14.6767 k = 0.6167-0.3530-0.2313 ( 3783 PWs) bands (ev): -17.2216 -17.2216 -17.2045 -17.2045 -14.2289 -14.2289 -14.1424 -14.1424 -14.1229 -14.1229 -14.0467 -14.0467 -3.1556 -3.1556 -3.0212 -3.0212 -1.8829 -1.8829 -1.7011 -1.7011 -1.5192 -1.5192 -1.3434 -1.3434 -1.0640 -1.0640 -0.9044 -0.9044 1.2462 1.2462 1.3893 1.3893 1.8621 1.8621 2.0177 2.0177 2.4910 2.4910 2.8741 2.8741 2.8835 2.8835 2.9557 2.9557 3.4343 3.4343 3.6113 3.6113 4.1089 4.1089 4.1466 4.1466 4.2272 4.2272 4.3073 4.3073 4.4755 4.4755 4.5586 4.5586 5.2698 5.2698 5.3064 5.3064 5.3481 5.3481 5.6488 5.6488 10.4180 10.4180 10.5263 10.5263 11.7702 11.7702 11.9986 11.9986 14.1115 14.1115 14.6768 14.6768 k = 0.6297-0.3428-0.2246 ( 3783 PWs) bands (ev): -17.2227 -17.2227 -17.2033 -17.2033 -14.2332 -14.2332 -14.1383 -14.1383 -14.1267 -14.1267 -14.0426 -14.0426 -3.1632 -3.1632 -3.0162 -3.0162 -1.8871 -1.8871 -1.6872 -1.6872 -1.5288 -1.5288 -1.3480 -1.3480 -1.0618 -1.0618 -0.8947 -0.8947 1.2386 1.2386 1.3924 1.3924 1.8660 1.8660 2.0320 2.0320 2.4721 2.4721 2.8624 2.8624 2.8983 2.8983 2.9537 2.9537 3.4305 3.4305 3.6285 3.6285 4.1049 4.1049 4.1458 4.1458 4.2213 4.2213 4.3066 4.3066 4.4731 4.4731 4.5632 4.5632 5.2528 5.2528 5.2951 5.2951 5.3474 5.3474 5.6643 5.6643 10.4200 10.4200 10.5358 10.5358 11.7725 11.7725 12.0233 12.0233 14.0327 14.0327 14.6776 14.6776 k = 0.6427-0.3325-0.2179 ( 3781 PWs) bands (ev): -17.2240 -17.2240 -17.2020 -17.2020 -14.2374 -14.2374 -14.1343 -14.1343 -14.1304 -14.1304 -14.0387 -14.0387 -3.1705 -3.1705 -3.0116 -3.0116 -1.8907 -1.8907 -1.6740 -1.6740 -1.5369 -1.5369 -1.3549 -1.3549 -1.0578 -1.0578 -0.8854 -0.8854 1.2315 1.2315 1.3945 1.3945 1.8717 1.8717 2.0463 2.0463 2.4539 2.4539 2.8461 2.8461 2.9146 2.9146 2.9533 2.9533 3.4270 3.4270 3.6462 3.6462 4.1008 4.1008 4.1446 4.1446 4.2156 4.2156 4.3052 4.3052 4.4712 4.4712 4.5677 4.5677 5.2328 5.2328 5.2866 5.2866 5.3464 5.3464 5.6793 5.6793 10.4228 10.4228 10.5448 10.5448 11.7768 11.7768 12.0489 12.0489 13.9522 13.9522 14.6794 14.6794 k = 0.6556-0.3223-0.2112 ( 3783 PWs) bands (ev): -17.2253 -17.2253 -17.2006 -17.2006 -14.2414 -14.2414 -14.1341 -14.1341 -14.1304 -14.1304 -14.0348 -14.0348 -3.1777 -3.1777 -3.0076 -3.0076 -1.8938 -1.8938 -1.6618 -1.6618 -1.5430 -1.5430 -1.3639 -1.3639 -1.0525 -1.0525 -0.8766 -0.8766 1.2248 1.2248 1.3956 1.3956 1.8792 1.8792 2.0605 2.0605 2.4365 2.4365 2.8287 2.8287 2.9264 2.9264 2.9568 2.9568 3.4236 3.4236 3.6644 3.6644 4.0966 4.0966 4.1431 4.1431 4.2103 4.2103 4.3031 4.3031 4.4697 4.4697 4.5721 4.5721 5.2111 5.2111 5.2795 5.2795 5.3452 5.3452 5.6937 5.6937 10.4263 10.4263 10.5532 10.5532 11.7830 11.7830 12.0754 12.0754 13.8705 13.8705 14.6828 14.6828 k = 0.6686-0.3121-0.2045 ( 3789 PWs) bands (ev): -17.2266 -17.2266 -17.1992 -17.1992 -14.2452 -14.2452 -14.1376 -14.1376 -14.1268 -14.1268 -14.0311 -14.0311 -3.1845 -3.1845 -3.0042 -3.0042 -1.8964 -1.8964 -1.6513 -1.6513 -1.5464 -1.5464 -1.3746 -1.3746 -1.0462 -1.0462 -0.8682 -0.8682 1.2186 1.2186 1.3960 1.3960 1.8884 1.8884 2.0746 2.0746 2.4201 2.4201 2.8103 2.8103 2.9312 2.9312 2.9668 2.9668 3.4204 3.4204 3.6829 3.6829 4.0923 4.0923 4.1411 4.1411 4.2053 4.2053 4.3004 4.3004 4.4687 4.4687 4.5764 4.5764 5.1886 5.1886 5.2732 5.2732 5.3436 5.3436 5.7075 5.7075 10.4306 10.4306 10.5609 10.5609 11.7913 11.7913 12.1025 12.1025 13.7883 13.7883 14.6879 14.6879 k = 0.6816-0.3019-0.1978 ( 3792 PWs) bands (ev): -17.2281 -17.2281 -17.1977 -17.1977 -14.2487 -14.2487 -14.1410 -14.1410 -14.1234 -14.1234 -14.0274 -14.0274 -3.1911 -3.1911 -3.0013 -3.0013 -1.8986 -1.8986 -1.6435 -1.6435 -1.5465 -1.5465 -1.3867 -1.3867 -1.0394 -1.0394 -0.8601 -0.8601 1.2128 1.2128 1.3957 1.3957 1.8990 1.8990 2.0885 2.0885 2.4046 2.4046 2.7912 2.7912 2.9316 2.9316 2.9807 2.9807 3.4174 3.4174 3.7015 3.7015 4.0880 4.0880 4.1388 4.1388 4.2008 4.2008 4.2971 4.2971 4.4680 4.4680 4.5806 4.5806 5.1656 5.1656 5.2675 5.2675 5.3416 5.3416 5.7206 5.7206 10.4353 10.4353 10.5676 10.5676 11.8015 11.8015 12.1303 12.1303 13.7060 13.7060 14.6951 14.6951 k = 0.6945-0.2917-0.1912 ( 3792 PWs) bands (ev): -17.2297 -17.2297 -17.1962 -17.1962 -14.2520 -14.2520 -14.1442 -14.1442 -14.1201 -14.1201 -14.0239 -14.0239 -3.1974 -3.1974 -2.9989 -2.9989 -1.9004 -1.9004 -1.6389 -1.6389 -1.5426 -1.5426 -1.3998 -1.3998 -1.0323 -1.0323 -0.8525 -0.8525 1.2076 1.2076 1.3949 1.3949 1.9110 1.9110 2.1021 2.1021 2.3901 2.3901 2.7715 2.7715 2.9306 2.9306 2.9954 2.9954 3.4146 3.4146 3.7203 3.7203 4.0836 4.0836 4.1363 4.1363 4.1967 4.1967 4.2934 4.2934 4.4677 4.4677 4.5847 4.5847 5.1424 5.1424 5.2622 5.2622 5.3394 5.3394 5.7332 5.7332 10.4405 10.4405 10.5734 10.5734 11.8139 11.8139 12.1585 12.1585 13.6241 13.6241 14.7047 14.7047 k = 0.7075-0.2815-0.1845 ( 3787 PWs) bands (ev): -17.2314 -17.2314 -17.1945 -17.1945 -14.2551 -14.2551 -14.1473 -14.1473 -14.1171 -14.1171 -14.0205 -14.0205 -3.2033 -3.2033 -2.9972 -2.9972 -1.9018 -1.9018 -1.6372 -1.6372 -1.5351 -1.5351 -1.4137 -1.4137 -1.0253 -1.0253 -0.8451 -0.8451 1.2029 1.2029 1.3936 1.3936 1.9240 1.9240 2.1155 2.1155 2.3769 2.3769 2.7513 2.7513 2.9293 2.9293 3.0100 3.0100 3.4119 3.4119 3.7390 3.7390 4.0792 4.0792 4.1335 4.1335 4.1931 4.1931 4.2895 4.2895 4.4677 4.4677 4.5887 4.5887 5.1190 5.1190 5.2573 5.2573 5.3369 5.3369 5.7451 5.7451 10.4461 10.4461 10.5781 10.5781 11.8283 11.8283 12.1870 12.1870 13.5431 13.5431 14.7166 14.7166 k = 0.7205-0.2713-0.1778 ( 3790 PWs) bands (ev): -17.2332 -17.2332 -17.1928 -17.1928 -14.2578 -14.2578 -14.1503 -14.1503 -14.1142 -14.1142 -14.0172 -14.0172 -3.2089 -3.2089 -2.9961 -2.9961 -1.9029 -1.9029 -1.6377 -1.6377 -1.5247 -1.5247 -1.4282 -1.4282 -1.0187 -1.0187 -0.8381 -0.8381 1.1988 1.1988 1.3922 1.3922 1.9377 1.9377 2.1284 2.1284 2.3651 2.3651 2.7307 2.7307 2.9281 2.9281 3.0240 3.0240 3.4093 3.4093 3.7576 3.7576 4.0747 4.0747 4.1305 4.1305 4.1899 4.1899 4.2853 4.2853 4.4678 4.4678 4.5926 4.5926 5.0956 5.0956 5.2527 5.2527 5.3341 5.3341 5.7564 5.7564 10.4518 10.4518 10.5815 10.5815 11.8447 11.8447 12.2152 12.2152 13.4637 13.4637 14.7312 14.7312 k = 0.7335-0.2611-0.1711 ( 3797 PWs) bands (ev): -17.2351 -17.2351 -17.1911 -17.1911 -14.2603 -14.2603 -14.1531 -14.1531 -14.1116 -14.1116 -14.0140 -14.0140 -3.2141 -3.2141 -2.9956 -2.9956 -1.9038 -1.9038 -1.6396 -1.6396 -1.5126 -1.5126 -1.4429 -1.4429 -1.0126 -1.0126 -0.8312 -0.8312 1.1952 1.1952 1.3907 1.3907 1.9518 1.9518 2.1409 2.1409 2.3549 2.3549 2.7099 2.7099 2.9273 2.9273 3.0372 3.0372 3.4067 3.4067 3.7760 3.7760 4.0701 4.0701 4.1275 4.1275 4.1871 4.1871 4.2809 4.2809 4.4681 4.4681 4.5964 4.5964 5.0723 5.0723 5.2484 5.2484 5.3312 5.3312 5.7670 5.7670 10.4577 10.4577 10.5837 10.5837 11.8632 11.8632 12.2430 12.2430 13.3862 13.3862 14.7485 14.7485 k = 0.7464-0.2509-0.1644 ( 3793 PWs) bands (ev): -17.2371 -17.2371 -17.1892 -17.1892 -14.2624 -14.2624 -14.1558 -14.1558 -14.1091 -14.1091 -14.0110 -14.0110 -3.2189 -3.2189 -2.9957 -2.9957 -1.9045 -1.9045 -1.6422 -1.6422 -1.4994 -1.4994 -1.4576 -1.4576 -1.0073 -1.0073 -0.8246 -0.8246 1.1922 1.1922 1.3894 1.3894 1.9657 1.9657 2.1528 2.1528 2.3466 2.3466 2.6889 2.6889 2.9269 2.9269 3.0497 3.0497 3.4043 3.4043 3.7939 3.7939 4.0654 4.0654 4.1246 4.1246 4.1847 4.1847 4.2767 4.2767 4.4685 4.4685 4.6001 4.6001 5.0492 5.0492 5.2446 5.2446 5.3280 5.3280 5.7769 5.7769 10.4635 10.4635 10.5847 10.5847 11.8837 11.8837 12.2696 12.2696 13.3117 13.3117 14.7686 14.7686 k = 0.7594-0.2407-0.1577 ( 3795 PWs) bands (ev): -17.2393 -17.2393 -17.1873 -17.1873 -14.2642 -14.2642 -14.1583 -14.1583 -14.1069 -14.1069 -14.0081 -14.0081 -3.2233 -3.2233 -2.9964 -2.9964 -1.9051 -1.9051 -1.6450 -1.6450 -1.4862 -1.4862 -1.4720 -1.4720 -1.0030 -1.0030 -0.8181 -0.8181 1.1899 1.1899 1.3884 1.3884 1.9792 1.9792 2.1641 2.1641 2.3405 2.3405 2.6680 2.6680 2.9271 2.9271 3.0613 3.0613 3.4018 3.4018 3.8114 3.8114 4.0605 4.0605 4.1219 4.1219 4.1827 4.1827 4.2725 4.2725 4.4689 4.4689 4.6036 4.6036 5.0264 5.0264 5.2411 5.2411 5.3247 5.3247 5.7862 5.7862 10.4692 10.4692 10.5843 10.5843 11.9061 11.9061 12.2942 12.2942 13.2409 13.2409 14.7914 14.7914 k = 0.7724-0.2305-0.1511 ( 3796 PWs) bands (ev): -17.2416 -17.2416 -17.1853 -17.1853 -14.2657 -14.2657 -14.1606 -14.1606 -14.1050 -14.1050 -14.0054 -14.0054 -3.2274 -3.2274 -2.9977 -2.9977 -1.9056 -1.9056 -1.6478 -1.6478 -1.4879 -1.4879 -1.4711 -1.4711 -0.9998 -0.9998 -0.8117 -0.8117 1.1881 1.1881 1.3878 1.3878 1.9915 1.9915 2.1748 2.1748 2.3370 2.3370 2.6472 2.6472 2.9278 2.9278 3.0721 3.0721 3.3994 3.3994 3.8284 3.8284 4.0554 4.0554 4.1195 4.1195 4.1809 4.1809 4.2685 4.2685 4.4694 4.4694 4.6071 4.6071 5.0040 5.0040 5.2380 5.2380 5.3212 5.3212 5.7947 5.7947 10.4746 10.4746 10.5826 10.5826 11.9305 11.9305 12.3157 12.3157 13.1753 13.1753 14.8169 14.8169 k = 0.7853-0.2203-0.1444 ( 3800 PWs) bands (ev): -17.2440 -17.2440 -17.1833 -17.1833 -14.2668 -14.2668 -14.1628 -14.1628 -14.1032 -14.1032 -14.0028 -14.0028 -3.2310 -3.2310 -2.9996 -2.9996 -1.9063 -1.9063 -1.6503 -1.6503 -1.5017 -1.5017 -1.4580 -1.4580 -0.9978 -0.9978 -0.8053 -0.8053 1.1870 1.1870 1.3878 1.3878 2.0022 2.0022 2.1848 2.1848 2.3364 2.3364 2.6265 2.6265 2.9291 2.9291 3.0821 3.0821 3.3969 3.3969 3.8446 3.8446 4.0502 4.0502 4.1174 4.1174 4.1795 4.1795 4.2648 4.2648 4.4698 4.4698 4.6103 4.6103 4.9821 4.9821 5.2353 5.2353 5.3177 5.3177 5.8026 5.8026 10.4796 10.4796 10.5797 10.5797 11.9566 11.9566 12.3325 12.3325 13.1164 13.1164 14.8443 14.8443 Writing output data file CuCO3.save init_run : 0.34s CPU 0.77s WALL ( 1 calls) electrons : 300.92s CPU 305.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 300.90s CPU 305.13s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 280 calls) cegterg : 280.81s CPU 283.72s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 151.58s CPU 153.48s WALL ( 8236 calls) s_psi : 6.87s CPU 7.01s WALL ( 8236 calls) g_psi : 0.30s CPU 0.29s WALL ( 7497 calls) cdiaghg : 113.66s CPU 114.91s WALL ( 7777 calls) cegterg:over : 10.28s CPU 10.09s WALL ( 7497 calls) cegterg:upda : 8.39s CPU 8.56s WALL ( 7497 calls) cegterg:last : 4.05s CPU 4.01s WALL ( 1019 calls) cdiaghg:chol : 6.58s CPU 6.72s WALL ( 7777 calls) cdiaghg:inve : 4.93s CPU 4.93s WALL ( 7777 calls) cdiaghg:para : 8.70s CPU 8.51s WALL ( 15554 calls) Called by h_psi: h_psi:vloc : 133.98s CPU 135.78s WALL ( 8236 calls) h_psi:vnl : 17.25s CPU 17.38s WALL ( 8236 calls) add_vuspsi : 8.62s CPU 8.72s WALL ( 8236 calls) General routines calbec : 8.60s CPU 8.64s WALL ( 8236 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 125.58s CPU 127.28s WALL ( 1068460 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.27s WALL ( 560 calls) Parallel routines fft_scatter : 35.03s CPU 35.84s WALL ( 1068483 calls) PWSCF : 5m20.27s CPU 5m54.46s WALL This run was terminated on: 16:54:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=