Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:33:47 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: ./RbBiS2.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 119 48 14 3683 926 148 Max 120 49 15 3685 945 150 Sum 4311 1737 511 132635 33789 5363 bravais-lattice index = 14 lattice parameter (alat) = 15.4984 a.u. unit-cell volume = 803.6727 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.498355 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.869558 celldm(5)= 0.869558 celldm(6)= 0.869558 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.869558 0.493831 0.000000 ) a(3) = ( 0.869558 0.229688 0.437164 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.760843 -1.063936 ) b(2) = ( 0.000000 2.024986 -1.063936 ) b(3) = ( 0.000000 0.000000 2.287471 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Bi 15.00 208.98040 Bi( 1.00) Rb 9.00 85.46780 Rb( 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= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0113636 -0.0200096 -0.0120902), wk = 0.0034602 k( 3) = ( 0.0227273 -0.0400191 -0.0241803), wk = 0.0034602 k( 4) = ( 0.0340909 -0.0600287 -0.0362705), wk = 0.0034602 k( 5) = ( 0.0454546 -0.0800383 -0.0483607), wk = 0.0034602 k( 6) = ( 0.0568182 -0.1000479 -0.0604509), wk = 0.0034602 k( 7) = ( 0.0681818 -0.1200575 -0.0725411), wk = 0.0034602 k( 8) = ( 0.0795455 -0.1400670 -0.0846312), wk = 0.0034602 k( 9) = ( 0.0909091 -0.1600766 -0.0967214), wk = 0.0034602 k( 10) = ( 0.1022727 -0.1800862 -0.1088116), wk = 0.0034602 k( 11) = ( 0.1136364 -0.2000957 -0.1209018), wk = 0.0034602 k( 12) = ( 0.1250000 -0.2201053 -0.1329919), wk = 0.0034602 k( 13) = ( 0.1363636 -0.2401149 -0.1450821), wk = 0.0034602 k( 14) = ( 0.1477273 -0.2601245 -0.1571723), wk = 0.0034602 k( 15) = ( 0.1590909 -0.2801340 -0.1692625), wk = 0.0034602 k( 16) = ( 0.1704546 -0.3001436 -0.1813526), wk = 0.0034602 k( 17) = ( 0.1818182 -0.3201532 -0.1934428), wk = 0.0034602 k( 18) = ( 0.1931818 -0.3401628 -0.2055330), wk = 0.0034602 k( 19) = ( 0.2045454 -0.3601723 -0.2176232), wk = 0.0034602 k( 20) = ( 0.2159091 -0.3801819 -0.2297133), wk = 0.0034602 k( 21) = ( 0.2272727 -0.4001915 -0.2418035), wk = 0.0034602 k( 22) = ( 0.2386364 -0.4202011 -0.2538937), wk = 0.0034602 k( 23) = ( 0.2500000 -0.4402106 -0.2659839), wk = 0.0034602 k( 24) = ( 0.2613636 -0.4602202 -0.2780741), wk = 0.0034602 k( 25) = ( 0.2727273 -0.4802298 -0.2901642), wk = 0.0034602 k( 26) = ( 0.2840909 -0.5002394 -0.3022544), wk = 0.0034602 k( 27) = ( 0.2954545 -0.5202489 -0.3143446), wk = 0.0034602 k( 28) = ( 0.3068182 -0.5402585 -0.3264348), wk = 0.0034602 k( 29) = ( 0.3181818 -0.5602681 -0.3385249), wk = 0.0034602 k( 30) = ( 0.3295455 -0.5802777 -0.3506151), wk = 0.0034602 k( 31) = ( 0.3409091 -0.6002872 -0.3627053), wk = 0.0034602 k( 32) = ( 0.3522727 -0.6202968 -0.3747955), wk = 0.0034602 k( 33) = ( 0.3636364 -0.6403064 -0.3868856), wk = 0.0034602 k( 34) = ( 0.3750000 -0.6603160 -0.3989758), wk = 0.0034602 k( 35) = ( 0.3863636 -0.6803255 -0.4110660), wk = 0.0034602 k( 36) = ( 0.3977273 -0.7003351 -0.4231562), wk = 0.0034602 k( 37) = ( 0.4090909 -0.7203447 -0.4352463), wk = 0.0034602 k( 38) = ( 0.4204545 -0.7403543 -0.4473365), wk = 0.0034602 k( 39) = ( 0.4318182 -0.7603638 -0.4594267), wk = 0.0034602 k( 40) = ( 0.4431818 -0.7803734 -0.4715169), wk = 0.0034602 k( 41) = ( 0.4545455 -0.8003830 -0.4836070), wk = 0.0034602 k( 42) = ( 0.4659091 -0.8203926 -0.4956972), wk = 0.0034602 k( 43) = ( 0.4772727 -0.8404021 -0.5077874), wk = 0.0034602 k( 44) = ( 0.4886364 -0.8604117 -0.5198776), wk = 0.0034602 k( 45) = ( 0.5000000 -0.8804213 -0.5319678), wk = 0.0034602 k( 46) = ( 0.5000000 -0.8804213 -0.5319678), wk = 0.0034602 k( 47) = ( 0.5000000 -0.8672198 -0.5538166), wk = 0.0034602 k( 48) = ( 0.5000000 -0.8540183 -0.5756655), wk = 0.0034602 k( 49) = ( 0.5000000 -0.8408168 -0.5975143), wk = 0.0034602 k( 50) = ( 0.5000000 -0.8276153 -0.6193632), wk = 0.0034602 k( 51) = ( 0.5000000 -0.8144138 -0.6412120), wk = 0.0034602 k( 52) = ( 0.5000000 -0.8012123 -0.6630609), wk = 0.0034602 k( 53) = ( 0.5000000 -0.7880107 -0.6849097), wk = 0.0034602 k( 54) = ( 0.5000000 -0.7748092 -0.7067586), wk = 0.0034602 k( 55) = ( 0.5000000 -0.7616077 -0.7286075), wk = 0.0034602 k( 56) = ( 0.5000000 -0.7484062 -0.7504563), wk = 0.0034602 k( 57) = ( 0.5000000 -0.7352047 -0.7723052), wk = 0.0034602 k( 58) = ( 0.5000000 -0.7220032 -0.7941540), wk = 0.0034602 k( 59) = ( 0.5000000 -0.7088017 -0.8160029), wk = 0.0034602 k( 60) = ( 0.5000000 -0.6956002 -0.8378517), wk = 0.0034602 k( 61) = ( 0.5000000 -0.6823987 -0.8597006), wk = 0.0034602 k( 62) = ( 0.5000000 -0.6691972 -0.8815494), wk = 0.0034602 k( 63) = ( 0.5000000 -0.6559957 -0.9033983), wk = 0.0034602 k( 64) = ( 0.5000000 -0.6427942 -0.9252471), wk = 0.0034602 k( 65) = ( 0.5000000 -0.6295927 -0.9470960), wk = 0.0034602 k( 66) = ( 0.5000000 -0.6163912 -0.9689449), wk = 0.0034602 k( 67) = ( 0.5000000 -0.6031897 -0.9907937), wk = 0.0034602 k( 68) = ( 0.5000000 -0.5899882 -1.0126425), wk = 0.0034602 k( 69) = ( 0.5000000 -0.5767867 -1.0344914), wk = 0.0034602 k( 70) = ( 0.5000000 -0.5635852 -1.0563403), wk = 0.0034602 k( 71) = ( 0.5000000 -0.5503836 -1.0781891), wk = 0.0034602 k( 72) = ( 0.5000000 -0.5371821 -1.1000380), wk = 0.0034602 k( 73) = ( 0.5000000 -0.5239806 -1.1218869), wk = 0.0034602 k( 74) = ( 0.5000000 -0.5107791 -1.1437357), wk = 0.0034602 k( 75) = ( 0.8174594 -0.4269245 -0.9841353), wk = 0.0034602 k( 76) = ( 0.8108456 -0.4152787 -0.9619700), wk = 0.0034602 k( 77) = ( 0.8042319 -0.4036330 -0.9398047), wk = 0.0034602 k( 78) = ( 0.7976182 -0.3919872 -0.9176394), wk = 0.0034602 k( 79) = ( 0.7910044 -0.3803415 -0.8954740), wk = 0.0034602 k( 80) = ( 0.7843907 -0.3686957 -0.8733087), wk = 0.0034602 k( 81) = ( 0.7777770 -0.3570500 -0.8511434), wk = 0.0034602 k( 82) = ( 0.7711632 -0.3454042 -0.8289781), wk = 0.0034602 k( 83) = ( 0.7645495 -0.3337585 -0.8068127), wk = 0.0034602 k( 84) = ( 0.7579357 -0.3221127 -0.7846474), wk = 0.0034602 k( 85) = ( 0.7513220 -0.3104670 -0.7624821), wk = 0.0034602 k( 86) = ( 0.7447083 -0.2988212 -0.7403168), wk = 0.0034602 k( 87) = ( 0.7380945 -0.2871755 -0.7181514), wk = 0.0034602 k( 88) = ( 0.7314808 -0.2755297 -0.6959861), wk = 0.0034602 k( 89) = ( 0.7248670 -0.2638840 -0.6738208), wk = 0.0034602 k( 90) = ( 0.7182533 -0.2522382 -0.6516555), wk = 0.0034602 k( 91) = ( 0.7116396 -0.2405925 -0.6294902), wk = 0.0034602 k( 92) = ( 0.7050258 -0.2289467 -0.6073248), wk = 0.0034602 k( 93) = ( 0.6984121 -0.2173010 -0.5851595), wk = 0.0034602 k( 94) = ( 0.6917984 -0.2056552 -0.5629942), wk = 0.0034602 k( 95) = ( 0.6851846 -0.1940095 -0.5408289), wk = 0.0034602 k( 96) = ( 0.6785709 -0.1823637 -0.5186635), wk = 0.0034602 k( 97) = ( 0.6719572 -0.1707180 -0.4964982), wk = 0.0034602 k( 98) = ( 0.6653434 -0.1590722 -0.4743329), wk = 0.0034602 k( 99) = ( 0.6587297 -0.1474265 -0.4521676), wk = 0.0034602 k( 100) = ( 0.6521159 -0.1357807 -0.4300023), wk = 0.0034602 k( 101) = ( 0.6455022 -0.1241350 -0.4078369), wk = 0.0034602 k( 102) = ( 0.6388885 -0.1124892 -0.3856716), wk = 0.0034602 k( 103) = ( 0.6322747 -0.1008435 -0.3635063), wk = 0.0034602 k( 104) = ( 0.6256610 -0.0891977 -0.3413410), wk = 0.0034602 k( 105) = ( 0.6190473 -0.0775520 -0.3191756), wk = 0.0034602 k( 106) = ( 0.6124335 -0.0659062 -0.2970103), wk = 0.0034602 k( 107) = ( 0.6058198 -0.0542605 -0.2748450), wk = 0.0034602 k( 108) = ( 0.5992061 -0.0426147 -0.2526797), wk = 0.0034602 k( 109) = ( 0.5925923 -0.0309690 -0.2305144), wk = 0.0034602 k( 110) = ( 0.5859786 -0.0193232 -0.2083490), wk = 0.0034602 k( 111) = ( 0.5793648 -0.0076775 -0.1861837), wk = 0.0034602 k( 112) = ( 0.5727511 0.0039683 -0.1640184), wk = 0.0034602 k( 113) = ( 0.5661374 0.0156140 -0.1418531), wk = 0.0034602 k( 114) = ( 0.5595236 0.0272598 -0.1196877), wk = 0.0034602 k( 115) = ( 0.5529099 0.0389055 -0.0975224), wk = 0.0034602 k( 116) = ( 0.5462962 0.0505513 -0.0753571), wk = 0.0034602 k( 117) = ( 0.5396824 0.0621970 -0.0531918), wk = 0.0034602 k( 118) = ( 0.5330687 0.0738428 -0.0310264), wk = 0.0034602 k( 119) = ( 0.5264549 0.0854885 -0.0088611), wk = 0.0034602 k( 120) = ( 0.5198412 0.0971343 0.0133042), wk = 0.0034602 k( 121) = ( 0.5132275 0.1087800 0.0354695), wk = 0.0034602 k( 122) = ( 0.5066137 0.1204257 0.0576348), wk = 0.0034602 k( 123) = ( 0.5000000 0.1320715 0.0798002), wk = 0.0034602 k( 124) = ( 0.5000000 0.1320715 0.0798002), wk = 0.0034602 k( 125) = ( 0.4761905 0.1257824 0.0760002), wk = 0.0034602 k( 126) = ( 0.4523810 0.1194933 0.0722002), wk = 0.0034602 k( 127) = ( 0.4285714 0.1132041 0.0684002), wk = 0.0034602 k( 128) = ( 0.4047619 0.1069150 0.0646001), wk = 0.0034602 k( 129) = ( 0.3809524 0.1006259 0.0608001), wk = 0.0034602 k( 130) = ( 0.3571429 0.0943368 0.0570001), wk = 0.0034602 k( 131) = ( 0.3333333 0.0880477 0.0532001), wk = 0.0034602 k( 132) = ( 0.3095238 0.0817585 0.0494001), wk = 0.0034602 k( 133) = ( 0.2857143 0.0754694 0.0456001), wk = 0.0034602 k( 134) = ( 0.2619048 0.0691803 0.0418001), wk = 0.0034602 k( 135) = ( 0.2380952 0.0628912 0.0380001), wk = 0.0034602 k( 136) = ( 0.2142857 0.0566021 0.0342001), wk = 0.0034602 k( 137) = ( 0.1904762 0.0503130 0.0304001), wk = 0.0034602 k( 138) = ( 0.1666667 0.0440238 0.0266001), wk = 0.0034602 k( 139) = ( 0.1428571 0.0377347 0.0228001), wk = 0.0034602 k( 140) = ( 0.1190476 0.0314456 0.0190000), wk = 0.0034602 k( 141) = ( 0.0952381 0.0251565 0.0152000), wk = 0.0034602 k( 142) = ( 0.0714286 0.0188674 0.0114000), wk = 0.0034602 k( 143) = ( 0.0476191 0.0125782 0.0076000), wk = 0.0034602 k( 144) = ( 0.0238095 0.0062891 0.0038000), wk = 0.0034602 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 147) = ( 0.0065629 -0.0115562 -0.0219949), wk = 0.0034602 k( 148) = ( 0.0131258 -0.0231124 -0.0439898), wk = 0.0034602 k( 149) = ( 0.0196887 -0.0346686 -0.0659847), wk = 0.0034602 k( 150) = ( 0.0262516 -0.0462249 -0.0879797), wk = 0.0034602 k( 151) = ( 0.0328145 -0.0577811 -0.1099746), wk = 0.0034602 k( 152) = ( 0.0393773 -0.0693373 -0.1319695), wk = 0.0034602 k( 153) = ( 0.0459402 -0.0808935 -0.1539644), wk = 0.0034602 k( 154) = ( 0.0525031 -0.0924497 -0.1759594), wk = 0.0034602 k( 155) = ( 0.0590660 -0.1040060 -0.1979543), wk = 0.0034602 k( 156) = ( 0.0656289 -0.1155622 -0.2199492), wk = 0.0034602 k( 157) = ( 0.0721918 -0.1271184 -0.2419441), wk = 0.0034602 k( 158) = ( 0.0787547 -0.1386746 -0.2639390), wk = 0.0034602 k( 159) = ( 0.0853176 -0.1502308 -0.2859339), wk = 0.0034602 k( 160) = ( 0.0918805 -0.1617870 -0.3079288), wk = 0.0034602 k( 161) = ( 0.0984434 -0.1733433 -0.3299238), wk = 0.0034602 k( 162) = ( 0.1050062 -0.1848995 -0.3519187), wk = 0.0034602 k( 163) = ( 0.1115691 -0.1964557 -0.3739136), wk = 0.0034602 k( 164) = ( 0.1181320 -0.2080119 -0.3959085), wk = 0.0034602 k( 165) = ( 0.1246949 -0.2195681 -0.4179034), wk = 0.0034602 k( 166) = ( 0.1312578 -0.2311243 -0.4398983), wk = 0.0034602 k( 167) = ( 0.1378207 -0.2426806 -0.4618932), wk = 0.0034602 k( 168) = ( 0.1443836 -0.2542368 -0.4838882), wk = 0.0034602 k( 169) = ( 0.1509465 -0.2657930 -0.5058831), wk = 0.0034602 k( 170) = ( 0.1575094 -0.2773492 -0.5278780), wk = 0.0034602 k( 171) = ( 0.1640723 -0.2889054 -0.5498729), wk = 0.0034602 k( 172) = ( 0.1706352 -0.3004617 -0.5718679), wk = 0.0034602 k( 173) = ( 0.1771980 -0.3120179 -0.5938628), wk = 0.0034602 k( 174) = ( 0.1837609 -0.3235741 -0.6158577), wk = 0.0034602 k( 175) = ( 0.1903238 -0.3351303 -0.6378526), wk = 0.0034602 k( 176) = ( 0.1968867 -0.3466865 -0.6598475), wk = 0.0034602 k( 177) = ( 0.2034496 -0.3582427 -0.6818424), wk = 0.0034602 k( 178) = ( 0.2100125 -0.3697990 -0.7038373), wk = 0.0034602 k( 179) = ( 0.2165754 -0.3813552 -0.7258323), wk = 0.0034602 k( 180) = ( 0.2231383 -0.3929114 -0.7478272), wk = 0.0034602 k( 181) = ( 0.2297012 -0.4044676 -0.7698221), wk = 0.0034602 k( 182) = ( 0.2362641 -0.4160238 -0.7918170), wk = 0.0034602 k( 183) = ( 0.2428270 -0.4275800 -0.8138119), wk = 0.0034602 k( 184) = ( 0.2493898 -0.4391363 -0.8358069), wk = 0.0034602 k( 185) = ( 0.2559527 -0.4506925 -0.8578018), wk = 0.0034602 k( 186) = ( 0.2625156 -0.4622487 -0.8797967), wk = 0.0034602 k( 187) = ( 0.2690785 -0.4738049 -0.9017916), wk = 0.0034602 k( 188) = ( 0.2756414 -0.4853611 -0.9237865), wk = 0.0034602 k( 189) = ( 0.2822043 -0.4969173 -0.9457814), wk = 0.0034602 k( 190) = ( 0.2887672 -0.5084736 -0.9677764), wk = 0.0034602 k( 191) = ( 0.2953301 -0.5200298 -0.9897713), wk = 0.0034602 k( 192) = ( 0.3018930 -0.5315860 -1.0117662), wk = 0.0034602 k( 193) = ( 0.3084559 -0.5431422 -1.0337611), wk = 0.0034602 k( 194) = ( 0.3150188 -0.5546984 -1.0557560), wk = 0.0034602 k( 195) = ( 0.3215816 -0.5662546 -1.0777509), wk = 0.0034602 k( 196) = ( 0.3281445 -0.5778109 -1.0997459), wk = 0.0034602 k( 197) = ( 0.3347074 -0.5893671 -1.1217408), wk = 0.0034602 k( 198) = ( 0.3412703 -0.6009233 -1.1437357), wk = 0.0034602 k( 199) = ( 0.6587297 -0.4688518 -1.0639355), wk = 0.0034602 k( 200) = ( 0.6521159 -0.4438133 -1.0639355), wk = 0.0034602 k( 201) = ( 0.6455022 -0.4187749 -1.0639355), wk = 0.0034602 k( 202) = ( 0.6388885 -0.3937364 -1.0639355), wk = 0.0034602 k( 203) = ( 0.6322747 -0.3686979 -1.0639355), wk = 0.0034602 k( 204) = ( 0.6256610 -0.3436594 -1.0639355), wk = 0.0034602 k( 205) = ( 0.6190473 -0.3186210 -1.0639355), wk = 0.0034602 k( 206) = ( 0.6124335 -0.2935825 -1.0639355), wk = 0.0034602 k( 207) = ( 0.6058198 -0.2685440 -1.0639355), wk = 0.0034602 k( 208) = ( 0.5992061 -0.2435056 -1.0639355), wk = 0.0034602 k( 209) = ( 0.5925923 -0.2184671 -1.0639355), wk = 0.0034602 k( 210) = ( 0.5859786 -0.1934286 -1.0639355), wk = 0.0034602 k( 211) = ( 0.5793648 -0.1683901 -1.0639355), wk = 0.0034602 k( 212) = ( 0.5727511 -0.1433517 -1.0639355), wk = 0.0034602 k( 213) = ( 0.5661374 -0.1183132 -1.0639355), wk = 0.0034602 k( 214) = ( 0.5595236 -0.0932747 -1.0639355), wk = 0.0034602 k( 215) = ( 0.5529099 -0.0682363 -1.0639355), wk = 0.0034602 k( 216) = ( 0.5462962 -0.0431978 -1.0639355), wk = 0.0034602 k( 217) = ( 0.5396824 -0.0181593 -1.0639355), wk = 0.0034602 k( 218) = ( 0.5330687 0.0068792 -1.0639355), wk = 0.0034602 k( 219) = ( 0.5264549 0.0319176 -1.0639355), wk = 0.0034602 k( 220) = ( 0.5198412 0.0569561 -1.0639355), wk = 0.0034602 k( 221) = ( 0.5132275 0.0819946 -1.0639355), wk = 0.0034602 k( 222) = ( 0.5066137 0.1070330 -1.0639355), wk = 0.0034602 k( 223) = ( 0.5000000 0.1320715 -1.0639355), wk = 0.0034602 k( 224) = ( 0.5000000 0.1320715 -1.0639355), wk = 0.0034602 k( 225) = ( 0.5226757 0.1380611 -1.0525355), wk = 0.0034602 k( 226) = ( 0.5453513 0.1440507 -1.0411355), wk = 0.0034602 k( 227) = ( 0.5680270 0.1500404 -1.0297354), wk = 0.0034602 k( 228) = ( 0.5907027 0.1560300 -1.0183354), wk = 0.0034602 k( 229) = ( 0.6133783 0.1620196 -1.0069354), wk = 0.0034602 k( 230) = ( 0.6360540 0.1680092 -0.9955353), wk = 0.0034602 k( 231) = ( 0.6587297 0.1739988 -0.9841353), wk = 0.0034602 k( 232) = ( 0.6587297 0.1739988 -0.9841353), wk = 0.0034602 k( 233) = ( 0.6549504 0.1730006 -0.9588035), wk = 0.0034602 k( 234) = ( 0.6511711 0.1720023 -0.9334717), wk = 0.0034602 k( 235) = ( 0.6473918 0.1710040 -0.9081399), wk = 0.0034602 k( 236) = ( 0.6436126 0.1700058 -0.8828081), wk = 0.0034602 k( 237) = ( 0.6398333 0.1690075 -0.8574763), wk = 0.0034602 k( 238) = ( 0.6360540 0.1680092 -0.8321445), wk = 0.0034602 k( 239) = ( 0.6322747 0.1670109 -0.8068127), wk = 0.0034602 k( 240) = ( 0.6284955 0.1660127 -0.7814810), wk = 0.0034602 k( 241) = ( 0.6247162 0.1650144 -0.7561491), wk = 0.0034602 k( 242) = ( 0.6209369 0.1640161 -0.7308173), wk = 0.0034602 k( 243) = ( 0.6171576 0.1630179 -0.7054856), wk = 0.0034602 k( 244) = ( 0.6133783 0.1620196 -0.6801538), wk = 0.0034602 k( 245) = ( 0.6095991 0.1610213 -0.6548220), wk = 0.0034602 k( 246) = ( 0.6058198 0.1600231 -0.6294902), wk = 0.0034602 k( 247) = ( 0.6020405 0.1590248 -0.6041584), wk = 0.0034602 k( 248) = ( 0.5982612 0.1580265 -0.5788266), wk = 0.0034602 k( 249) = ( 0.5944820 0.1570282 -0.5534948), wk = 0.0034602 k( 250) = ( 0.5907027 0.1560300 -0.5281630), wk = 0.0034602 k( 251) = ( 0.5869234 0.1550317 -0.5028312), wk = 0.0034602 k( 252) = ( 0.5831441 0.1540334 -0.4774994), wk = 0.0034602 k( 253) = ( 0.5793648 0.1530352 -0.4521676), wk = 0.0034602 k( 254) = ( 0.5755856 0.1520369 -0.4268358), wk = 0.0034602 k( 255) = ( 0.5718063 0.1510386 -0.4015040), wk = 0.0034602 k( 256) = ( 0.5680270 0.1500404 -0.3761722), wk = 0.0034602 k( 257) = ( 0.5642477 0.1490421 -0.3508404), wk = 0.0034602 k( 258) = ( 0.5604685 0.1480438 -0.3255086), wk = 0.0034602 k( 259) = ( 0.5566892 0.1470455 -0.3001768), wk = 0.0034602 k( 260) = ( 0.5529099 0.1460473 -0.2748450), wk = 0.0034602 k( 261) = ( 0.5491306 0.1450490 -0.2495132), wk = 0.0034602 k( 262) = ( 0.5453513 0.1440507 -0.2241814), wk = 0.0034602 k( 263) = ( 0.5415721 0.1430525 -0.1988496), wk = 0.0034602 k( 264) = ( 0.5377928 0.1420542 -0.1735178), wk = 0.0034602 k( 265) = ( 0.5340135 0.1410559 -0.1481860), wk = 0.0034602 k( 266) = ( 0.5302342 0.1400577 -0.1228542), wk = 0.0034602 k( 267) = ( 0.5264549 0.1390594 -0.0975224), wk = 0.0034602 k( 268) = ( 0.5226757 0.1380611 -0.0721906), wk = 0.0034602 k( 269) = ( 0.5188964 0.1370628 -0.0468588), wk = 0.0034602 k( 270) = ( 0.5151171 0.1360646 -0.0215270), wk = 0.0034602 k( 271) = ( 0.5113378 0.1350663 0.0038048), wk = 0.0034602 k( 272) = ( 0.5075586 0.1340680 0.0291366), wk = 0.0034602 k( 273) = ( 0.5037793 0.1330698 0.0544684), wk = 0.0034602 k( 274) = ( 0.5000000 0.1320715 0.0798002), wk = 0.0034602 k( 275) = ( 0.5000000 -0.8804213 -0.5319678), wk = 0.0034602 k( 276) = ( 0.5226757 -0.8709876 -0.5262677), wk = 0.0034602 k( 277) = ( 0.5453513 -0.8615539 -0.5205677), wk = 0.0034602 k( 278) = ( 0.5680270 -0.8521203 -0.5148677), wk = 0.0034602 k( 279) = ( 0.5907027 -0.8426866 -0.5091677), wk = 0.0034602 k( 280) = ( 0.6133783 -0.8332529 -0.5034677), wk = 0.0034602 k( 281) = ( 0.6360540 -0.8238192 -0.4977677), wk = 0.0034602 k( 282) = ( 0.6587297 -0.8143855 -0.4920677), wk = 0.0034602 k( 283) = ( 0.6814054 -0.8049519 -0.4863676), wk = 0.0034602 k( 284) = ( 0.7040810 -0.7955182 -0.4806676), wk = 0.0034602 k( 285) = ( 0.7267567 -0.7860845 -0.4749676), wk = 0.0034602 k( 286) = ( 0.7494324 -0.7766508 -0.4692676), wk = 0.0034602 k( 287) = ( 0.7721080 -0.7672172 -0.4635676), wk = 0.0034602 k( 288) = ( 0.7947837 -0.7577835 -0.4578676), wk = 0.0034602 k( 289) = ( 0.8174594 -0.7483498 -0.4521676), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0034602 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0034602 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0034602 k( 5) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0034602 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0034602 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0034602 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0034602 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0034602 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0034602 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0034602 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034602 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0034602 k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0034602 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0034602 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0034602 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0034602 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0034602 k( 19) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0034602 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0034602 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0034602 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0034602 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034602 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0034602 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0034602 k( 26) = ( 0.2840909 -0.0000000 0.0000000), wk = 0.0034602 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0034602 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0034602 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0034602 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0034602 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0034602 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0034602 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0034602 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034602 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0034602 k( 36) = ( 0.3977273 -0.0000000 0.0000000), wk = 0.0034602 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0034602 k( 38) = ( 0.4204545 -0.0000000 0.0000000), wk = 0.0034602 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0034602 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0034602 k( 41) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0034602 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0034602 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0034602 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0034602 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 47) = ( 0.5000000 0.0065193 -0.0065193), wk = 0.0034602 k( 48) = ( 0.5000000 0.0130386 -0.0130386), wk = 0.0034602 k( 49) = ( 0.5000000 0.0195579 -0.0195579), wk = 0.0034602 k( 50) = ( 0.5000000 0.0260772 -0.0260772), wk = 0.0034602 k( 51) = ( 0.5000000 0.0325965 -0.0325965), wk = 0.0034602 k( 52) = ( 0.5000000 0.0391159 -0.0391158), wk = 0.0034602 k( 53) = ( 0.5000000 0.0456352 -0.0456352), wk = 0.0034602 k( 54) = ( 0.5000000 0.0521545 -0.0521545), wk = 0.0034602 k( 55) = ( 0.5000000 0.0586738 -0.0586738), wk = 0.0034602 k( 56) = ( 0.5000000 0.0651931 -0.0651931), wk = 0.0034602 k( 57) = ( 0.5000000 0.0717124 -0.0717124), wk = 0.0034602 k( 58) = ( 0.5000000 0.0782317 -0.0782317), wk = 0.0034602 k( 59) = ( 0.5000000 0.0847510 -0.0847510), wk = 0.0034602 k( 60) = ( 0.5000000 0.0912703 -0.0912703), wk = 0.0034602 k( 61) = ( 0.5000000 0.0977896 -0.0977896), wk = 0.0034602 k( 62) = ( 0.5000000 0.1043089 -0.1043089), wk = 0.0034602 k( 63) = ( 0.5000000 0.1108282 -0.1108282), wk = 0.0034602 k( 64) = ( 0.5000000 0.1173476 -0.1173475), wk = 0.0034602 k( 65) = ( 0.5000000 0.1238669 -0.1238669), wk = 0.0034602 k( 66) = ( 0.5000000 0.1303862 -0.1303862), wk = 0.0034602 k( 67) = ( 0.5000000 0.1369055 -0.1369055), wk = 0.0034602 k( 68) = ( 0.5000000 0.1434248 -0.1434248), wk = 0.0034602 k( 69) = ( 0.5000000 0.1499441 -0.1499441), wk = 0.0034602 k( 70) = ( 0.5000000 0.1564634 -0.1564634), wk = 0.0034602 k( 71) = ( 0.5000000 0.1629827 -0.1629827), wk = 0.0034602 k( 72) = ( 0.5000000 0.1695020 -0.1695020), wk = 0.0034602 k( 73) = ( 0.5000000 0.1760213 -0.1760213), wk = 0.0034602 k( 74) = ( 0.5000000 0.1825406 -0.1825406), wk = 0.0034602 k( 75) = ( 0.8174594 0.5000000 0.1825406), wk = 0.0034602 k( 76) = ( 0.8108456 0.5000000 0.1891544), wk = 0.0034602 k( 77) = ( 0.8042319 0.5000000 0.1957681), wk = 0.0034602 k( 78) = ( 0.7976182 0.5000000 0.2023818), wk = 0.0034602 k( 79) = ( 0.7910044 0.5000000 0.2089956), wk = 0.0034602 k( 80) = ( 0.7843907 0.5000000 0.2156093), wk = 0.0034602 k( 81) = ( 0.7777770 0.5000000 0.2222231), wk = 0.0034602 k( 82) = ( 0.7711632 0.5000000 0.2288368), wk = 0.0034602 k( 83) = ( 0.7645495 0.5000000 0.2354505), wk = 0.0034602 k( 84) = ( 0.7579357 0.5000000 0.2420643), wk = 0.0034602 k( 85) = ( 0.7513220 0.5000000 0.2486780), wk = 0.0034602 k( 86) = ( 0.7447083 0.5000000 0.2552917), wk = 0.0034602 k( 87) = ( 0.7380945 0.5000000 0.2619055), wk = 0.0034602 k( 88) = ( 0.7314808 0.5000000 0.2685192), wk = 0.0034602 k( 89) = ( 0.7248670 0.5000000 0.2751329), wk = 0.0034602 k( 90) = ( 0.7182533 0.5000000 0.2817467), wk = 0.0034602 k( 91) = ( 0.7116396 0.5000000 0.2883604), wk = 0.0034602 k( 92) = ( 0.7050258 0.5000000 0.2949742), wk = 0.0034602 k( 93) = ( 0.6984121 0.5000000 0.3015879), wk = 0.0034602 k( 94) = ( 0.6917984 0.5000000 0.3082016), wk = 0.0034602 k( 95) = ( 0.6851846 0.5000000 0.3148154), wk = 0.0034602 k( 96) = ( 0.6785709 0.5000000 0.3214291), wk = 0.0034602 k( 97) = ( 0.6719572 0.5000000 0.3280428), wk = 0.0034602 k( 98) = ( 0.6653434 0.5000000 0.3346566), wk = 0.0034602 k( 99) = ( 0.6587297 0.5000000 0.3412703), wk = 0.0034602 k( 100) = ( 0.6521159 0.5000000 0.3478841), wk = 0.0034602 k( 101) = ( 0.6455022 0.5000000 0.3544978), wk = 0.0034602 k( 102) = ( 0.6388885 0.5000000 0.3611115), wk = 0.0034602 k( 103) = ( 0.6322747 0.5000000 0.3677253), wk = 0.0034602 k( 104) = ( 0.6256610 0.5000000 0.3743390), wk = 0.0034602 k( 105) = ( 0.6190473 0.5000000 0.3809527), wk = 0.0034602 k( 106) = ( 0.6124335 0.5000000 0.3875665), wk = 0.0034602 k( 107) = ( 0.6058198 0.5000000 0.3941802), wk = 0.0034602 k( 108) = ( 0.5992061 0.5000000 0.4007940), wk = 0.0034602 k( 109) = ( 0.5925923 0.5000000 0.4074077), wk = 0.0034602 k( 110) = ( 0.5859786 0.5000000 0.4140214), wk = 0.0034602 k( 111) = ( 0.5793648 0.5000000 0.4206352), wk = 0.0034602 k( 112) = ( 0.5727511 0.5000000 0.4272489), wk = 0.0034602 k( 113) = ( 0.5661374 0.5000000 0.4338626), wk = 0.0034602 k( 114) = ( 0.5595236 0.5000000 0.4404764), wk = 0.0034602 k( 115) = ( 0.5529099 0.5000000 0.4470901), wk = 0.0034602 k( 116) = ( 0.5462962 0.5000000 0.4537038), wk = 0.0034602 k( 117) = ( 0.5396824 0.5000000 0.4603176), wk = 0.0034602 k( 118) = ( 0.5330687 0.5000000 0.4669313), wk = 0.0034602 k( 119) = ( 0.5264549 0.5000000 0.4735451), wk = 0.0034602 k( 120) = ( 0.5198412 0.5000000 0.4801588), wk = 0.0034602 k( 121) = ( 0.5132275 0.5000000 0.4867725), wk = 0.0034602 k( 122) = ( 0.5066137 0.5000000 0.4933863), wk = 0.0034602 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 125) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0034602 k( 126) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0034602 k( 127) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0034602 k( 128) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0034602 k( 129) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0034602 k( 130) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0034602 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034602 k( 132) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0034602 k( 133) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0034602 k( 134) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0034602 k( 135) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0034602 k( 136) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0034602 k( 137) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0034602 k( 138) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034602 k( 139) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0034602 k( 140) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0034602 k( 141) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0034602 k( 142) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0034602 k( 143) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0034602 k( 144) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0034602 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 147) = ( 0.0065629 0.0000000 -0.0065629), wk = 0.0034602 k( 148) = ( 0.0131258 0.0000000 -0.0131258), wk = 0.0034602 k( 149) = ( 0.0196887 0.0000000 -0.0196887), wk = 0.0034602 k( 150) = ( 0.0262516 0.0000000 -0.0262516), wk = 0.0034602 k( 151) = ( 0.0328145 0.0000000 -0.0328144), wk = 0.0034602 k( 152) = ( 0.0393773 0.0000000 -0.0393773), wk = 0.0034602 k( 153) = ( 0.0459402 0.0000000 -0.0459402), wk = 0.0034602 k( 154) = ( 0.0525031 0.0000000 -0.0525031), wk = 0.0034602 k( 155) = ( 0.0590660 0.0000000 -0.0590660), wk = 0.0034602 k( 156) = ( 0.0656289 0.0000000 -0.0656289), wk = 0.0034602 k( 157) = ( 0.0721918 -0.0000000 -0.0721918), wk = 0.0034602 k( 158) = ( 0.0787547 -0.0000000 -0.0787547), wk = 0.0034602 k( 159) = ( 0.0853176 -0.0000000 -0.0853176), wk = 0.0034602 k( 160) = ( 0.0918805 0.0000000 -0.0918805), wk = 0.0034602 k( 161) = ( 0.0984434 0.0000000 -0.0984434), wk = 0.0034602 k( 162) = ( 0.1050062 0.0000000 -0.1050062), wk = 0.0034602 k( 163) = ( 0.1115691 -0.0000000 -0.1115691), wk = 0.0034602 k( 164) = ( 0.1181320 0.0000000 -0.1181320), wk = 0.0034602 k( 165) = ( 0.1246949 0.0000000 -0.1246949), wk = 0.0034602 k( 166) = ( 0.1312578 0.0000000 -0.1312578), wk = 0.0034602 k( 167) = ( 0.1378207 0.0000000 -0.1378207), wk = 0.0034602 k( 168) = ( 0.1443836 -0.0000000 -0.1443836), wk = 0.0034602 k( 169) = ( 0.1509465 -0.0000000 -0.1509465), wk = 0.0034602 k( 170) = ( 0.1575094 -0.0000000 -0.1575094), wk = 0.0034602 k( 171) = ( 0.1640723 0.0000000 -0.1640723), wk = 0.0034602 k( 172) = ( 0.1706352 -0.0000000 -0.1706352), wk = 0.0034602 k( 173) = ( 0.1771980 0.0000000 -0.1771980), wk = 0.0034602 k( 174) = ( 0.1837609 0.0000000 -0.1837609), wk = 0.0034602 k( 175) = ( 0.1903238 0.0000000 -0.1903238), wk = 0.0034602 k( 176) = ( 0.1968867 0.0000000 -0.1968867), wk = 0.0034602 k( 177) = ( 0.2034496 0.0000000 -0.2034496), wk = 0.0034602 k( 178) = ( 0.2100125 0.0000000 -0.2100125), wk = 0.0034602 k( 179) = ( 0.2165754 0.0000000 -0.2165754), wk = 0.0034602 k( 180) = ( 0.2231383 -0.0000000 -0.2231383), wk = 0.0034602 k( 181) = ( 0.2297012 0.0000000 -0.2297012), wk = 0.0034602 k( 182) = ( 0.2362641 0.0000000 -0.2362641), wk = 0.0034602 k( 183) = ( 0.2428270 0.0000000 -0.2428270), wk = 0.0034602 k( 184) = ( 0.2493898 0.0000000 -0.2493898), wk = 0.0034602 k( 185) = ( 0.2559527 0.0000000 -0.2559527), wk = 0.0034602 k( 186) = ( 0.2625156 -0.0000000 -0.2625156), wk = 0.0034602 k( 187) = ( 0.2690785 0.0000000 -0.2690785), wk = 0.0034602 k( 188) = ( 0.2756414 -0.0000000 -0.2756414), wk = 0.0034602 k( 189) = ( 0.2822043 -0.0000000 -0.2822043), wk = 0.0034602 k( 190) = ( 0.2887672 0.0000000 -0.2887672), wk = 0.0034602 k( 191) = ( 0.2953301 -0.0000000 -0.2953301), wk = 0.0034602 k( 192) = ( 0.3018930 0.0000000 -0.3018930), wk = 0.0034602 k( 193) = ( 0.3084559 -0.0000000 -0.3084559), wk = 0.0034602 k( 194) = ( 0.3150188 0.0000000 -0.3150187), wk = 0.0034602 k( 195) = ( 0.3215816 0.0000000 -0.3215816), wk = 0.0034602 k( 196) = ( 0.3281445 0.0000000 -0.3281445), wk = 0.0034602 k( 197) = ( 0.3347074 -0.0000000 -0.3347074), wk = 0.0034602 k( 198) = ( 0.3412703 -0.0000000 -0.3412703), wk = 0.0034602 k( 199) = ( 0.6587297 0.3412703 0.0000000), wk = 0.0034602 k( 200) = ( 0.6521159 0.3478841 0.0000000), wk = 0.0034602 k( 201) = ( 0.6455022 0.3544978 0.0000000), wk = 0.0034602 k( 202) = ( 0.6388885 0.3611115 -0.0000000), wk = 0.0034602 k( 203) = ( 0.6322747 0.3677253 0.0000000), wk = 0.0034602 k( 204) = ( 0.6256610 0.3743390 0.0000000), wk = 0.0034602 k( 205) = ( 0.6190473 0.3809527 0.0000000), wk = 0.0034602 k( 206) = ( 0.6124335 0.3875665 0.0000000), wk = 0.0034602 k( 207) = ( 0.6058198 0.3941802 0.0000000), wk = 0.0034602 k( 208) = ( 0.5992061 0.4007940 -0.0000000), wk = 0.0034602 k( 209) = ( 0.5925923 0.4074077 0.0000000), wk = 0.0034602 k( 210) = ( 0.5859786 0.4140214 0.0000000), wk = 0.0034602 k( 211) = ( 0.5793648 0.4206352 0.0000000), wk = 0.0034602 k( 212) = ( 0.5727511 0.4272489 0.0000000), wk = 0.0034602 k( 213) = ( 0.5661374 0.4338626 0.0000000), wk = 0.0034602 k( 214) = ( 0.5595236 0.4404764 -0.0000000), wk = 0.0034602 k( 215) = ( 0.5529099 0.4470901 0.0000000), wk = 0.0034602 k( 216) = ( 0.5462962 0.4537038 0.0000000), wk = 0.0034602 k( 217) = ( 0.5396824 0.4603176 0.0000000), wk = 0.0034602 k( 218) = ( 0.5330687 0.4669313 0.0000000), wk = 0.0034602 k( 219) = ( 0.5264549 0.4735451 0.0000000), wk = 0.0034602 k( 220) = ( 0.5198412 0.4801588 -0.0000000), wk = 0.0034602 k( 221) = ( 0.5132275 0.4867725 0.0000000), wk = 0.0034602 k( 222) = ( 0.5066137 0.4933863 0.0000000), wk = 0.0034602 k( 223) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 224) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 225) = ( 0.5226757 0.5226757 0.0260772), wk = 0.0034602 k( 226) = ( 0.5453513 0.5453513 0.0521545), wk = 0.0034602 k( 227) = ( 0.5680270 0.5680270 0.0782317), wk = 0.0034602 k( 228) = ( 0.5907027 0.5907027 0.1043089), wk = 0.0034602 k( 229) = ( 0.6133783 0.6133783 0.1303862), wk = 0.0034602 k( 230) = ( 0.6360540 0.6360540 0.1564634), wk = 0.0034602 k( 231) = ( 0.6587297 0.6587297 0.1825406), wk = 0.0034602 k( 232) = ( 0.6587297 0.6587297 0.1825406), wk = 0.0034602 k( 233) = ( 0.6549504 0.6549504 0.1900992), wk = 0.0034602 k( 234) = ( 0.6511711 0.6511711 0.1976577), wk = 0.0034602 k( 235) = ( 0.6473918 0.6473918 0.2052163), wk = 0.0034602 k( 236) = ( 0.6436126 0.6436126 0.2127749), wk = 0.0034602 k( 237) = ( 0.6398333 0.6398333 0.2203334), wk = 0.0034602 k( 238) = ( 0.6360540 0.6360540 0.2278920), wk = 0.0034602 k( 239) = ( 0.6322747 0.6322747 0.2354505), wk = 0.0034602 k( 240) = ( 0.6284955 0.6284955 0.2430091), wk = 0.0034602 k( 241) = ( 0.6247162 0.6247162 0.2505676), wk = 0.0034602 k( 242) = ( 0.6209369 0.6209369 0.2581262), wk = 0.0034602 k( 243) = ( 0.6171576 0.6171576 0.2656848), wk = 0.0034602 k( 244) = ( 0.6133783 0.6133783 0.2732433), wk = 0.0034602 k( 245) = ( 0.6095991 0.6095991 0.2808019), wk = 0.0034602 k( 246) = ( 0.6058198 0.6058198 0.2883604), wk = 0.0034602 k( 247) = ( 0.6020405 0.6020405 0.2959190), wk = 0.0034602 k( 248) = ( 0.5982612 0.5982612 0.3034775), wk = 0.0034602 k( 249) = ( 0.5944820 0.5944820 0.3110361), wk = 0.0034602 k( 250) = ( 0.5907027 0.5907027 0.3185947), wk = 0.0034602 k( 251) = ( 0.5869234 0.5869234 0.3261532), wk = 0.0034602 k( 252) = ( 0.5831441 0.5831441 0.3337118), wk = 0.0034602 k( 253) = ( 0.5793648 0.5793648 0.3412703), wk = 0.0034602 k( 254) = ( 0.5755856 0.5755856 0.3488289), wk = 0.0034602 k( 255) = ( 0.5718063 0.5718063 0.3563874), wk = 0.0034602 k( 256) = ( 0.5680270 0.5680270 0.3639460), wk = 0.0034602 k( 257) = ( 0.5642477 0.5642477 0.3715045), wk = 0.0034602 k( 258) = ( 0.5604685 0.5604684 0.3790631), wk = 0.0034602 k( 259) = ( 0.5566892 0.5566892 0.3866216), wk = 0.0034602 k( 260) = ( 0.5529099 0.5529099 0.3941802), wk = 0.0034602 k( 261) = ( 0.5491306 0.5491306 0.4017388), wk = 0.0034602 k( 262) = ( 0.5453513 0.5453513 0.4092973), wk = 0.0034602 k( 263) = ( 0.5415721 0.5415721 0.4168559), wk = 0.0034602 k( 264) = ( 0.5377928 0.5377928 0.4244144), wk = 0.0034602 k( 265) = ( 0.5340135 0.5340135 0.4319730), wk = 0.0034602 k( 266) = ( 0.5302342 0.5302342 0.4395315), wk = 0.0034602 k( 267) = ( 0.5264549 0.5264549 0.4470901), wk = 0.0034602 k( 268) = ( 0.5226757 0.5226757 0.4546487), wk = 0.0034602 k( 269) = ( 0.5188964 0.5188964 0.4622072), wk = 0.0034602 k( 270) = ( 0.5151171 0.5151171 0.4697658), wk = 0.0034602 k( 271) = ( 0.5113378 0.5113378 0.4773243), wk = 0.0034602 k( 272) = ( 0.5075586 0.5075586 0.4848829), wk = 0.0034602 k( 273) = ( 0.5037793 0.5037793 0.4924414), wk = 0.0034602 k( 274) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 275) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 276) = ( 0.5226757 0.0243765 0.0243765), wk = 0.0034602 k( 277) = ( 0.5453513 0.0487529 0.0487529), wk = 0.0034602 k( 278) = ( 0.5680270 0.0731294 0.0731294), wk = 0.0034602 k( 279) = ( 0.5907027 0.0975058 0.0975058), wk = 0.0034602 k( 280) = ( 0.6133783 0.1218823 0.1218823), wk = 0.0034602 k( 281) = ( 0.6360540 0.1462587 0.1462587), wk = 0.0034602 k( 282) = ( 0.6587297 0.1706352 0.1706352), wk = 0.0034602 k( 283) = ( 0.6814054 0.1950116 0.1950116), wk = 0.0034602 k( 284) = ( 0.7040810 0.2193881 0.2193881), wk = 0.0034602 k( 285) = ( 0.7267567 0.2437645 0.2437645), wk = 0.0034602 k( 286) = ( 0.7494324 0.2681410 0.2681410), wk = 0.0034602 k( 287) = ( 0.7721080 0.2925174 0.2925174), wk = 0.0034602 k( 288) = ( 0.7947837 0.3168939 0.3168939), wk = 0.0034602 k( 289) = ( 0.8174594 0.3412703 0.3412703), wk = 0.0034602 Dense grid: 132635 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 33789 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 246, 44) NL pseudopotentials 0.26 Mb ( 123, 136) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.03 Mb ( 3685) G-vector shells 0.02 Mb ( 3058) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 246, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./RbBiS2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 9.6 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.4 secs Computing kpt #: 14 total cpu time spent up to now is 12.0 secs Computing kpt #: 15 total cpu time spent up to now is 12.6 secs Computing kpt #: 16 total cpu time spent up to now is 13.2 secs Computing kpt #: 17 total cpu time spent up to now is 13.8 secs Computing kpt #: 18 total cpu time spent up to now is 14.4 secs Computing kpt #: 19 total cpu time spent up to now is 15.0 secs Computing kpt #: 20 total cpu time spent up to now is 15.6 secs Computing kpt #: 21 total cpu time spent up to now is 16.2 secs Computing kpt #: 22 total cpu time spent up to now is 16.8 secs Computing kpt #: 23 total cpu time spent up to now is 17.4 secs Computing kpt #: 24 total cpu time spent up to now is 18.0 secs Computing kpt #: 25 total cpu time spent up to now is 18.6 secs Computing kpt #: 26 total cpu time spent up to now is 19.2 secs Computing kpt #: 27 total cpu time spent up to now is 19.8 secs Computing kpt #: 28 total cpu time spent up to now is 20.4 secs Computing kpt #: 29 total cpu time spent up to now is 21.0 secs Computing kpt #: 30 total cpu time spent up to now is 21.6 secs Computing kpt #: 31 total cpu time spent up to now is 22.2 secs Computing kpt #: 32 total cpu time spent up to now is 22.8 secs Computing kpt #: 33 total cpu time spent up to now is 23.4 secs Computing kpt #: 34 total cpu time spent up to now is 24.0 secs Computing kpt #: 35 total cpu time spent up to now is 24.6 secs Computing kpt #: 36 total cpu time spent up to now is 25.3 secs Computing kpt #: 37 total cpu time spent up to now is 25.8 secs Computing kpt #: 38 total cpu time spent up to now is 26.4 secs Computing kpt #: 39 total cpu time spent up to now is 27.1 secs Computing kpt #: 40 total cpu time spent up to now is 27.7 secs Computing kpt #: 41 total cpu time spent up to now is 28.3 secs Computing kpt #: 42 total cpu time spent up to now is 28.9 secs Computing kpt #: 43 total cpu time spent up to now is 29.5 secs Computing kpt #: 44 total cpu time spent up to now is 30.1 secs Computing kpt #: 45 total cpu time spent up to now is 30.8 secs Computing kpt #: 46 total cpu time spent up to now is 31.5 secs Computing kpt #: 47 total cpu time spent up to now is 32.2 secs Computing kpt #: 48 total cpu time spent up to now is 32.9 secs Computing kpt #: 49 total cpu time spent up to now is 33.5 secs Computing kpt #: 50 total cpu time spent up to now is 34.1 secs Computing kpt #: 51 total cpu time spent up to now is 34.7 secs Computing kpt #: 52 total cpu time spent up to now is 35.4 secs Computing kpt #: 53 total cpu time spent up to now is 36.1 secs Computing kpt #: 54 total cpu time spent up to now is 36.8 secs Computing kpt #: 55 total cpu time spent up to now is 37.5 secs Computing kpt #: 56 total cpu time spent up to now is 38.2 secs Computing kpt #: 57 total cpu time spent up to now is 38.9 secs Computing kpt #: 58 total cpu time spent up to now is 39.6 secs Computing kpt #: 59 total cpu time spent up to now is 40.4 secs Computing kpt #: 60 total cpu time spent up to now is 41.1 secs Computing kpt #: 61 total cpu time spent up to now is 41.8 secs Computing kpt #: 62 total cpu time spent up to now is 42.6 secs Computing kpt #: 63 total cpu time spent up to now is 43.3 secs Computing kpt #: 64 total cpu time spent up to now is 44.0 secs Computing kpt #: 65 total cpu time spent up to now is 44.8 secs Computing kpt #: 66 total cpu time spent up to now is 45.5 secs Computing kpt #: 67 total cpu time spent up to now is 46.2 secs Computing kpt #: 68 total cpu time spent up to now is 47.0 secs Computing kpt #: 69 total cpu time spent up to now is 47.7 secs Computing kpt #: 70 total cpu time spent up to now is 48.4 secs Computing kpt #: 71 total cpu time spent up to now is 49.1 secs Computing kpt #: 72 total cpu time spent up to now is 49.9 secs Computing kpt #: 73 total cpu time spent up to now is 50.6 secs Computing kpt #: 74 total cpu time spent up to now is 51.3 secs Computing kpt #: 75 total cpu time spent up to now is 52.0 secs Computing kpt #: 76 total cpu time spent up to now is 52.7 secs Computing kpt #: 77 total cpu time spent up to now is 53.4 secs Computing kpt #: 78 total cpu time spent up to now is 54.1 secs Computing kpt #: 79 total cpu time spent up to now is 54.8 secs Computing kpt #: 80 total cpu time spent up to now is 55.5 secs Computing kpt #: 81 total cpu time spent up to now is 56.1 secs Computing kpt #: 82 total cpu time spent up to now is 56.7 secs Computing kpt #: 83 total cpu time spent up to now is 57.3 secs Computing kpt #: 84 total cpu time spent up to now is 57.9 secs Computing kpt #: 85 total cpu time spent up to now is 58.6 secs Computing kpt #: 86 total cpu time spent up to now is 59.3 secs Computing kpt #: 87 total cpu time spent up to now is 60.0 secs Computing kpt #: 88 total cpu time spent up to now is 60.7 secs Computing kpt #: 89 total cpu time spent up to now is 61.5 secs Computing kpt #: 90 total cpu time spent up to now is 62.2 secs Computing kpt #: 91 total cpu time spent up to now is 62.9 secs Computing kpt #: 92 total cpu time spent up to now is 63.6 secs Computing kpt #: 93 total cpu time spent up to now is 64.3 secs Computing kpt #: 94 total cpu time spent up to now is 65.0 secs Computing kpt #: 95 total cpu time spent up to now is 65.8 secs Computing kpt #: 96 total cpu time spent up to now is 66.5 secs Computing kpt #: 97 total cpu time spent up to now is 67.1 secs Computing kpt #: 98 total cpu time spent up to now is 67.7 secs Computing kpt #: 99 total cpu time spent up to now is 68.3 secs Computing kpt #: 100 total cpu time spent up to now is 68.9 secs Computing kpt #: 101 total cpu time spent up to now is 69.5 secs Computing kpt #: 102 total cpu time spent up to now is 70.1 secs Computing kpt #: 103 total cpu time spent up to now is 70.7 secs Computing kpt #: 104 total cpu time spent up to now is 71.3 secs Computing kpt #: 105 total cpu time spent up to now is 71.9 secs Computing kpt #: 106 total cpu time spent up to now is 72.5 secs Computing kpt #: 107 total cpu time spent up to now is 73.1 secs Computing kpt #: 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up to now is 82.1 secs Computing kpt #: 124 total cpu time spent up to now is 82.6 secs Computing kpt #: 125 total cpu time spent up to now is 83.2 secs Computing kpt #: 126 total cpu time spent up to now is 83.7 secs Computing kpt #: 127 total cpu time spent up to now is 84.3 secs Computing kpt #: 128 total cpu time spent up to now is 84.8 secs Computing kpt #: 129 total cpu time spent up to now is 85.4 secs Computing kpt #: 130 total cpu time spent up to now is 86.0 secs Computing kpt #: 131 total cpu time spent up to now is 86.5 secs Computing kpt #: 132 total cpu time spent up to now is 87.1 secs Computing kpt #: 133 total cpu time spent up to now is 87.7 secs Computing kpt #: 134 total cpu time spent up to now is 88.2 secs Computing kpt #: 135 total cpu time spent up to now is 88.8 secs Computing kpt #: 136 total cpu time spent up to now is 89.4 secs Computing kpt #: 137 total cpu time spent up to now is 89.9 secs Computing kpt #: 138 total cpu time spent up to now is 90.5 secs Computing kpt #: 139 total cpu time spent up to now is 91.1 secs Computing kpt #: 140 total cpu time spent up to now is 91.6 secs Computing kpt #: 141 total cpu time spent up to now is 92.2 secs Computing kpt #: 142 total cpu time spent up to now is 92.8 secs Computing kpt #: 143 total cpu time spent up to now is 93.3 secs Computing kpt #: 144 total cpu time spent up to now is 93.9 secs Computing kpt #: 145 total cpu time spent up to now is 94.4 secs Computing kpt #: 146 total cpu time spent up to now is 95.0 secs Computing kpt #: 147 total cpu time spent up to now is 95.5 secs Computing kpt #: 148 total cpu time spent up to now is 96.1 secs Computing kpt #: 149 total cpu time spent up to now is 96.7 secs Computing kpt #: 150 total cpu time spent up to now is 97.2 secs Computing kpt #: 151 total cpu time spent up to now is 97.8 secs Computing kpt #: 152 total cpu time spent up to now is 98.6 secs Computing kpt #: 153 total cpu time spent up to now is 99.2 secs Computing kpt #: 154 total cpu time spent up to now is 99.8 secs Computing kpt #: 155 total cpu time spent up to now is 100.3 secs Computing kpt #: 156 total cpu time spent up to now is 100.9 secs Computing kpt #: 157 total cpu time spent up to now is 101.5 secs Computing kpt #: 158 total cpu time spent up to now is 102.1 secs Computing kpt #: 159 total cpu time spent up to now is 102.7 secs Computing kpt #: 160 total cpu time spent up to now is 103.3 secs Computing kpt #: 161 total cpu time spent up to now is 103.9 secs Computing kpt #: 162 total cpu time spent up to now is 104.5 secs Computing kpt #: 163 total cpu time spent up to now is 105.1 secs Computing kpt #: 164 total cpu time spent up to now is 105.7 secs Computing kpt #: 165 total cpu time spent up to now is 106.3 secs Computing kpt #: 166 total cpu time spent up to now is 106.9 secs Computing kpt #: 167 total cpu time spent up to now is 107.5 secs Computing kpt #: 168 total cpu time spent up to now is 108.1 secs Computing kpt #: 169 total cpu time spent up to now is 108.7 secs Computing kpt #: 170 total cpu time spent up to now is 109.3 secs Computing kpt #: 171 total cpu time spent up to now is 109.9 secs Computing kpt #: 172 total cpu time spent up to now is 110.5 secs Computing kpt #: 173 total cpu time spent up to now is 111.1 secs Computing kpt #: 174 total cpu time spent up to now is 111.8 secs Computing kpt #: 175 total cpu time spent up to now is 112.5 secs Computing kpt #: 176 total cpu time spent up to now is 113.2 secs Computing kpt #: 177 total cpu time spent up to now is 114.0 secs Computing kpt #: 178 total cpu time spent up to now is 114.7 secs Computing kpt #: 179 total cpu time spent up to now is 115.4 secs Computing kpt #: 180 total cpu time spent up to now is 116.1 secs Computing kpt #: 181 total cpu time spent up to now is 116.9 secs Computing kpt #: 182 total cpu time spent up to now is 117.6 secs Computing kpt #: 183 total cpu time spent up to now is 118.3 secs Computing kpt #: 184 total cpu time spent up to now is 119.1 secs Computing kpt #: 185 total cpu time spent up to now is 119.8 secs Computing kpt #: 186 total cpu time spent up to now is 120.5 secs Computing kpt #: 187 total cpu time spent up to now is 121.3 secs Computing kpt #: 188 total cpu time spent up to now is 122.0 secs Computing kpt #: 189 total cpu time spent up to now is 122.7 secs Computing kpt #: 190 total cpu time spent up to now is 123.5 secs Computing kpt #: 191 total cpu time spent up to now is 124.2 secs Computing kpt #: 192 total cpu time spent up to now is 124.9 secs Computing kpt #: 193 total cpu time spent up to now is 125.7 secs Computing kpt #: 194 total cpu time spent up to now is 126.4 secs Computing kpt #: 195 total cpu time spent up to now is 127.0 secs Computing kpt #: 196 total cpu time spent up to now is 127.7 secs Computing kpt #: 197 total cpu time spent up to now is 128.3 secs Computing kpt #: 198 total cpu time spent up to now is 128.9 secs Computing kpt #: 199 total cpu time spent up to now is 129.5 secs Computing kpt #: 200 total cpu time spent up to now is 130.1 secs Computing kpt #: 201 total cpu time spent up to now is 130.7 secs Computing kpt #: 202 total cpu time spent up to now is 131.3 secs Computing kpt #: 203 total cpu time spent up to now is 131.9 secs Computing kpt #: 204 total cpu time spent up to now is 132.5 secs Computing kpt #: 205 total cpu time spent up to now is 133.1 secs Computing kpt #: 206 total cpu time spent up to now is 133.7 secs Computing kpt #: 207 total cpu time spent up to now is 134.3 secs Computing kpt #: 208 total cpu time spent up to now is 134.9 secs Computing kpt #: 209 total cpu time spent up to now is 135.5 secs Computing kpt #: 210 total cpu time spent up to now is 136.1 secs Computing kpt #: 211 total cpu time spent up to now is 136.6 secs Computing kpt #: 212 total cpu time spent up to now is 137.2 secs Computing kpt #: 213 total cpu time spent up to now is 137.8 secs Computing kpt #: 214 total cpu time spent up to now is 138.4 secs Computing kpt #: 215 total cpu time spent up to now is 138.9 secs Computing kpt #: 216 total cpu time spent up to now is 139.5 secs Computing kpt #: 217 total cpu time spent up to now is 140.0 secs Computing kpt #: 218 total cpu time spent up to now is 140.6 secs Computing kpt #: 219 total cpu time spent up to now is 141.1 secs Computing kpt #: 220 total cpu time spent up to now is 141.7 secs Computing kpt #: 221 total cpu time spent up to now is 142.2 secs Computing kpt #: 222 total cpu time spent up to now is 142.8 secs Computing kpt #: 223 total cpu time spent up to now is 143.3 secs Computing kpt #: 224 total cpu time spent up to now is 143.9 secs Computing kpt #: 225 total cpu time spent up to now is 144.4 secs Computing kpt #: 226 total cpu time spent up to now is 145.0 secs Computing kpt #: 227 total cpu time spent up to now is 145.5 secs Computing kpt #: 228 total cpu time spent up to now is 146.1 secs Computing kpt #: 229 total cpu time spent up to now is 146.6 secs Computing kpt #: 230 total cpu time spent up to now is 147.2 secs Computing kpt #: 231 total cpu time spent up to now is 147.8 secs Computing kpt #: 232 total cpu time spent up to now is 148.4 secs Computing kpt #: 233 total cpu time spent up to now is 148.9 secs Computing kpt #: 234 total cpu time spent up to now is 149.5 secs Computing kpt #: 235 total cpu time spent up to now is 150.1 secs Computing kpt #: 236 total cpu time spent up to now is 150.6 secs Computing kpt #: 237 total cpu time spent up to now is 151.2 secs Computing kpt #: 238 total cpu time spent up to now is 151.8 secs Computing kpt #: 239 total cpu time spent up to now is 152.3 secs Computing kpt #: 240 total cpu time spent up to now is 152.9 secs Computing kpt #: 241 total cpu time spent up to now is 153.5 secs Computing kpt #: 242 total cpu time spent up to now is 154.1 secs Computing kpt #: 243 total cpu time spent up to now is 154.6 secs Computing kpt #: 244 total cpu time spent up to now is 155.2 secs Computing kpt #: 245 total cpu time spent up to now is 155.8 secs Computing kpt #: 246 total cpu time spent up to now is 156.4 secs Computing kpt #: 247 total cpu time spent up to now is 157.0 secs Computing kpt #: 248 total cpu time spent up to now is 157.6 secs Computing kpt #: 249 total cpu time spent up to now is 158.2 secs Computing kpt #: 250 total cpu time spent up to now is 158.8 secs Computing kpt #: 251 total cpu time spent up to now is 159.3 secs Computing kpt #: 252 total cpu time spent up to now is 159.9 secs Computing kpt #: 253 total cpu time spent up to now is 160.5 secs Computing kpt #: 254 total cpu time spent up to now is 161.1 secs Computing kpt #: 255 total cpu time spent up to now is 161.7 secs Computing kpt #: 256 total cpu time spent up to now is 162.3 secs Computing kpt #: 257 total cpu time spent up to now is 162.9 secs Computing kpt #: 258 total cpu time spent up to now is 163.5 secs Computing kpt #: 259 total cpu time spent up to now is 164.1 secs Computing kpt #: 260 total cpu time spent up to now is 164.7 secs Computing kpt #: 261 total cpu time spent up to now is 165.2 secs Computing kpt #: 262 total cpu time spent up to now is 165.8 secs Computing kpt #: 263 total cpu time spent up to now is 166.4 secs Computing kpt #: 264 total cpu time spent up to now is 167.0 secs Computing kpt #: 265 total cpu time spent up to now is 167.6 secs Computing kpt #: 266 total cpu time spent up to now is 168.1 secs Computing kpt #: 267 total cpu time spent up to now is 168.7 secs Computing kpt #: 268 total cpu time spent up to now is 169.3 secs Computing kpt #: 269 total cpu time spent up to now is 169.8 secs Computing kpt #: 270 total cpu time spent up to now is 170.4 secs Computing kpt #: 271 total cpu time spent up to now is 170.9 secs Computing kpt #: 272 total cpu time spent up to now is 171.5 secs Computing kpt #: 273 total cpu time spent up to now is 172.0 secs Computing kpt #: 274 total cpu time spent up to now is 172.6 secs Computing kpt #: 275 total cpu time spent up to now is 173.3 secs Computing kpt #: 276 total cpu time spent up to now is 174.0 secs Computing kpt #: 277 total cpu time spent up to now is 174.6 secs Computing kpt #: 278 total cpu time spent up to now is 175.2 secs Computing kpt #: 279 total cpu time spent up to now is 175.8 secs Computing kpt #: 280 total cpu time spent up to now is 176.4 secs Computing kpt #: 281 total cpu time spent up to now is 177.0 secs Computing kpt #: 282 total cpu time spent up to now is 177.6 secs Computing kpt #: 283 total cpu time spent up to now is 178.2 secs Computing kpt #: 284 total cpu time spent up to now is 178.8 secs Computing kpt #: 285 total cpu time spent up to now is 179.4 secs Computing kpt #: 286 total cpu time spent up to now is 180.0 secs Computing kpt #: 287 total cpu time spent up to now is 180.6 secs Computing kpt #: 288 total cpu time spent up to now is 181.2 secs Computing kpt #: 289 total cpu time spent up to now is 181.8 secs ethr = 2.78E-08, avg # of iterations = 18.5 total cpu time spent up to now is 181.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4255 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9315 -6.9315 -5.9343 -5.9343 -4.6660 -4.6660 -3.9054 -3.9054 -3.7059 -3.7059 -2.6530 -2.6530 4.0299 4.0299 4.5338 4.5338 4.6309 4.6309 4.7678 4.7678 4.8879 4.8879 4.9253 4.9253 6.6794 6.6794 8.2812 8.2812 9.0704 9.0704 10.1947 10.1947 k = 0.0114-0.0200-0.0121 ( 4259 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9305 -6.9305 -5.9336 -5.9336 -4.6664 -4.6664 -3.9059 -3.9059 -3.7063 -3.7063 -2.6534 -2.6534 4.0233 4.0233 4.5148 4.5148 4.6394 4.6394 4.7727 4.7727 4.8922 4.8922 4.9259 4.9259 6.6818 6.6818 8.2819 8.2819 9.0668 9.0668 10.1995 10.1995 k = 0.0227-0.0400-0.0242 ( 4258 PWs) bands (ev): -20.1966 -20.1966 -18.3522 -18.3522 -18.3443 -18.3443 -15.3715 -15.3715 -15.3597 -15.3597 -15.3517 -15.3517 -6.9278 -6.9278 -5.9317 -5.9317 -4.6674 -4.6674 -3.9074 -3.9074 -3.7073 -3.7073 -2.6548 -2.6548 4.0038 4.0038 4.4754 4.4754 4.6473 4.6473 4.7855 4.7855 4.9064 4.9064 4.9284 4.9284 6.6890 6.6890 8.2840 8.2840 9.0567 9.0567 10.2134 10.2134 k = 0.0341-0.0600-0.0363 ( 4260 PWs) bands (ev): -20.1964 -20.1964 -18.3522 -18.3522 -18.3443 -18.3443 -15.3715 -15.3715 -15.3597 -15.3597 -15.3517 -15.3517 -6.9231 -6.9231 -5.9284 -5.9284 -4.6691 -4.6691 -3.9099 -3.9099 -3.7091 -3.7091 -2.6572 -2.6572 3.9723 3.9723 4.4310 4.4310 4.6427 4.6427 4.7977 4.7977 4.9271 4.9271 4.9401 4.9401 6.7008 6.7008 8.2875 8.2875 9.0414 9.0414 10.2355 10.2355 k = 0.0455-0.0800-0.0484 ( 4257 PWs) bands (ev): -20.1961 -20.1961 -18.3521 -18.3521 -18.3443 -18.3443 -15.3714 -15.3714 -15.3596 -15.3596 -15.3518 -15.3518 -6.9167 -6.9167 -5.9239 -5.9239 -4.6715 -4.6715 -3.9134 -3.9134 -3.7116 -3.7116 -2.6606 -2.6606 3.9303 3.9303 4.3865 4.3865 4.6279 4.6279 4.8011 4.8011 4.9360 4.9360 4.9792 4.9792 6.7167 6.7167 8.2926 8.2926 9.0228 9.0228 10.2644 10.2644 k = 0.0568-0.1000-0.0605 ( 4258 PWs) bands (ev): -20.1957 -20.1957 -18.3521 -18.3521 -18.3443 -18.3443 -15.3712 -15.3712 -15.3596 -15.3596 -15.3519 -15.3519 -6.9084 -6.9084 -5.9181 -5.9181 -4.6746 -4.6746 -3.9179 -3.9179 -3.7146 -3.7146 -2.6651 -2.6651 3.8798 3.8798 4.3429 4.3429 4.6063 4.6063 4.7957 4.7957 4.9442 4.9442 5.0284 5.0284 6.7362 6.7362 8.2995 8.2995 9.0032 9.0032 10.2984 10.2984 k = 0.0682-0.1201-0.0725 ( 4261 PWs) bands (ev): -20.1952 -20.1952 -18.3520 -18.3520 -18.3443 -18.3443 -15.3711 -15.3711 -15.3596 -15.3596 -15.3520 -15.3520 -6.8983 -6.8983 -5.9111 -5.9111 -4.6783 -4.6783 -3.9232 -3.9232 -3.7182 -3.7182 -2.6709 -2.6709 3.8228 3.8228 4.3000 4.3000 4.5801 4.5801 4.7840 4.7840 4.9531 4.9531 5.0801 5.0801 6.7588 6.7588 8.3084 8.3084 8.9846 8.9846 10.3362 10.3362 k = 0.0795-0.1401-0.0846 ( 4265 PWs) bands (ev): -20.1946 -20.1946 -18.3519 -18.3519 -18.3443 -18.3443 -15.3709 -15.3709 -15.3595 -15.3595 -15.3521 -15.3521 -6.8863 -6.8863 -5.9030 -5.9030 -4.6826 -4.6826 -3.9295 -3.9295 -3.7223 -3.7223 -2.6780 -2.6780 3.7612 3.7612 4.2570 4.2570 4.5501 4.5501 4.7683 4.7683 4.9621 4.9621 5.1307 5.1307 6.7839 6.7839 8.3196 8.3196 8.9687 8.9687 10.3764 10.3764 k = 0.0909-0.1601-0.0967 ( 4267 PWs) bands (ev): -20.1940 -20.1940 -18.3519 -18.3519 -18.3443 -18.3443 -15.3707 -15.3707 -15.3594 -15.3594 -15.3522 -15.3522 -6.8726 -6.8726 -5.8937 -5.8937 -4.6874 -4.6874 -3.9365 -3.9365 -3.7268 -3.7268 -2.6866 -2.6866 3.6967 3.6967 4.2135 4.2135 4.5172 4.5172 4.7499 4.7499 4.9707 4.9707 5.1781 5.1781 6.8110 6.8110 8.3336 8.3336 8.9571 8.9571 10.4180 10.4180 k = 0.1023-0.1801-0.1088 ( 4267 PWs) bands (ev): -20.1933 -20.1933 -18.3518 -18.3518 -18.3443 -18.3443 -15.3705 -15.3705 -15.3594 -15.3594 -15.3523 -15.3523 -6.8570 -6.8570 -5.8833 -5.8833 -4.6929 -4.6929 -3.9442 -3.9442 -3.7318 -3.7318 -2.6969 -2.6969 3.6305 3.6305 4.1691 4.1691 4.4817 4.4817 4.7296 4.7296 4.9786 4.9786 5.2206 5.2206 6.8397 6.8397 8.3509 8.3509 8.9505 8.9505 10.4599 10.4599 k = 0.1136-0.2001-0.1209 ( 4262 PWs) bands (ev): -20.1925 -20.1925 -18.3517 -18.3517 -18.3443 -18.3443 -15.3703 -15.3703 -15.3593 -15.3593 -15.3525 -15.3525 -6.8397 -6.8397 -5.8719 -5.8719 -4.6988 -4.6988 -3.9526 -3.9526 -3.7370 -3.7370 -2.7089 -2.7089 3.5636 3.5636 4.1235 4.1235 4.4439 4.4439 4.7083 4.7083 4.9856 4.9856 5.2574 5.2574 6.8697 6.8697 8.3717 8.3717 8.9495 8.9495 10.5013 10.5013 k = 0.1250-0.2201-0.1330 ( 4263 PWs) bands (ev): -20.1917 -20.1917 -18.3515 -18.3515 -18.3443 -18.3443 -15.3701 -15.3701 -15.3592 -15.3592 -15.3526 -15.3526 -6.8207 -6.8207 -5.8596 -5.8596 -4.7052 -4.7052 -3.9615 -3.9615 -3.7426 -3.7426 -2.7228 -2.7228 3.4966 3.4966 4.0767 4.0767 4.4044 4.4044 4.6863 4.6863 4.9915 4.9915 5.2878 5.2878 6.9006 6.9006 8.3964 8.3964 8.9544 8.9544 10.5412 10.5412 k = 0.1364-0.2401-0.1451 ( 4264 PWs) bands (ev): -20.1908 -20.1908 -18.3514 -18.3514 -18.3443 -18.3443 -15.3698 -15.3698 -15.3591 -15.3591 -15.3527 -15.3527 -6.7999 -6.7999 -5.8464 -5.8464 -4.7119 -4.7119 -3.9708 -3.9708 -3.7484 -3.7484 -2.7387 -2.7387 3.4301 3.4301 4.0285 4.0285 4.3634 4.3634 4.6638 4.6638 4.9963 4.9963 5.3115 5.3115 6.9325 6.9325 8.4249 8.4249 8.9651 8.9651 10.5788 10.5788 k = 0.1477-0.2601-0.1572 ( 4262 PWs) bands (ev): -20.1898 -20.1898 -18.3513 -18.3513 -18.3443 -18.3443 -15.3696 -15.3696 -15.3590 -15.3590 -15.3529 -15.3529 -6.7774 -6.7774 -5.8325 -5.8325 -4.7190 -4.7190 -3.9805 -3.9805 -3.7545 -3.7545 -2.7568 -2.7568 3.3642 3.3642 3.9792 3.9792 4.3213 4.3213 4.6414 4.6414 5.0000 5.0000 5.3285 5.3285 6.9650 6.9650 8.4568 8.4568 8.9814 8.9814 10.6131 10.6131 k = 0.1591-0.2801-0.1693 ( 4258 PWs) bands (ev): -20.1888 -20.1888 -18.3512 -18.3512 -18.3443 -18.3443 -15.3693 -15.3693 -15.3589 -15.3589 -15.3530 -15.3530 -6.7533 -6.7533 -5.8179 -5.8179 -4.7264 -4.7264 -3.9904 -3.9904 -3.7609 -3.7609 -2.7770 -2.7770 3.2992 3.2992 3.9290 3.9290 4.2786 4.2786 4.6190 4.6190 5.0026 5.0026 5.3390 5.3390 6.9982 6.9982 8.4917 8.4917 9.0033 9.0033 10.6431 10.6431 k = 0.1705-0.3001-0.1814 ( 4252 PWs) bands (ev): -20.1877 -20.1877 -18.3510 -18.3510 -18.3443 -18.3443 -15.3691 -15.3691 -15.3588 -15.3588 -15.3531 -15.3531 -6.7275 -6.7275 -5.8027 -5.8027 -4.7339 -4.7339 -4.0004 -4.0004 -3.7675 -3.7675 -2.7993 -2.7993 3.2349 3.2349 3.8780 3.8780 4.2356 4.2356 4.5971 4.5971 5.0042 5.0042 5.3435 5.3435 7.0317 7.0317 8.5285 8.5285 9.0305 9.0305 10.6678 10.6678 k = 0.1818-0.3202-0.1934 ( 4252 PWs) bands (ev): -20.1866 -20.1866 -18.3509 -18.3509 -18.3443 -18.3443 -15.3689 -15.3689 -15.3586 -15.3586 -15.3532 -15.3532 -6.7001 -6.7001 -5.7870 -5.7870 -4.7416 -4.7416 -4.0105 -4.0105 -3.7743 -3.7743 -2.8239 -2.8239 3.1714 3.1714 3.8266 3.8266 4.1926 4.1926 4.5758 4.5758 5.0048 5.0048 5.3426 5.3426 7.0655 7.0655 8.5664 8.5664 9.0626 9.0626 10.6864 10.6864 k = 0.1932-0.3402-0.2055 ( 4242 PWs) bands (ev): -20.1854 -20.1854 -18.3507 -18.3507 -18.3443 -18.3443 -15.3686 -15.3686 -15.3585 -15.3585 -15.3533 -15.3533 -6.6711 -6.6711 -5.7711 -5.7711 -4.7492 -4.7492 -4.0205 -4.0205 -3.7815 -3.7815 -2.8507 -2.8507 3.1086 3.1086 3.7750 3.7750 4.1499 4.1499 4.5554 4.5554 5.0045 5.0045 5.3371 5.3371 7.0991 7.0991 8.6041 8.6041 9.0993 9.0993 10.6984 10.6984 k = 0.2045-0.3602-0.2176 ( 4241 PWs) bands (ev): -20.1842 -20.1842 -18.3506 -18.3506 -18.3443 -18.3443 -15.3684 -15.3684 -15.3584 -15.3584 -15.3533 -15.3533 -6.6406 -6.6406 -5.7548 -5.7548 -4.7569 -4.7569 -4.0304 -4.0304 -3.7889 -3.7889 -2.8797 -2.8797 3.0461 3.0461 3.7236 3.7236 4.1079 4.1079 4.5361 4.5361 5.0033 5.0033 5.3278 5.3278 7.1324 7.1324 8.6408 8.6408 9.1402 9.1402 10.7035 10.7035 k = 0.2159-0.3802-0.2297 ( 4242 PWs) bands (ev): -20.1830 -20.1830 -18.3504 -18.3504 -18.3442 -18.3442 -15.3682 -15.3682 -15.3583 -15.3583 -15.3533 -15.3533 -6.6087 -6.6087 -5.7385 -5.7385 -4.7643 -4.7643 -4.0400 -4.0400 -3.7967 -3.7967 -2.9106 -2.9106 2.9838 2.9838 3.6728 3.6728 4.0668 4.0668 4.5183 4.5183 5.0014 5.0014 5.3154 5.3154 7.1649 7.1649 8.6755 8.6755 9.1844 9.1844 10.7021 10.7021 k = 0.2273-0.4002-0.2418 ( 4249 PWs) bands (ev): -20.1818 -20.1818 -18.3503 -18.3503 -18.3442 -18.3442 -15.3681 -15.3681 -15.3583 -15.3583 -15.3533 -15.3533 -6.5754 -6.5754 -5.7222 -5.7222 -4.7716 -4.7716 -4.0494 -4.0494 -3.8048 -3.8048 -2.9435 -2.9435 2.9215 2.9215 3.6229 3.6229 4.0267 4.0267 4.5022 4.5022 4.9988 4.9988 5.3007 5.3007 7.1964 7.1964 8.7077 8.7077 9.2310 9.2310 10.6947 10.6947 k = 0.2386-0.4202-0.2539 ( 4248 PWs) bands (ev): -20.1806 -20.1806 -18.3501 -18.3501 -18.3442 -18.3442 -15.3679 -15.3679 -15.3582 -15.3582 -15.3532 -15.3532 -6.5407 -6.5407 -5.7061 -5.7061 -4.7785 -4.7785 -4.0584 -4.0584 -3.8134 -3.8134 -2.9780 -2.9780 2.8590 2.8590 3.5743 3.5743 3.9880 3.9880 4.4881 4.4881 4.9956 4.9956 5.2843 5.2843 7.2266 7.2266 8.7369 8.7369 9.2789 9.2789 10.6823 10.6823 k = 0.2500-0.4402-0.2660 ( 4254 PWs) bands (ev): -20.1793 -20.1793 -18.3500 -18.3500 -18.3442 -18.3442 -15.3678 -15.3678 -15.3582 -15.3582 -15.3531 -15.3531 -6.5048 -6.5048 -5.6902 -5.6902 -4.7851 -4.7851 -4.0670 -4.0670 -3.8225 -3.8225 -3.0140 -3.0140 2.7961 2.7961 3.5272 3.5272 3.9505 3.9505 4.4762 4.4762 4.9918 4.9918 5.2668 5.2668 7.2553 7.2553 8.7629 8.7629 9.3269 9.3269 10.6660 10.6660 k = 0.2614-0.4602-0.2781 ( 4248 PWs) bands (ev): -20.1781 -20.1781 -18.3498 -18.3498 -18.3442 -18.3442 -15.3677 -15.3677 -15.3581 -15.3581 -15.3529 -15.3529 -6.4678 -6.4678 -5.6748 -5.6748 -4.7912 -4.7912 -4.0751 -4.0751 -3.8322 -3.8322 -3.0513 -3.0513 2.7330 2.7330 3.4821 3.4821 3.9145 3.9145 4.4667 4.4667 4.9877 4.9877 5.2487 5.2487 7.2821 7.2821 8.7857 8.7857 9.3735 9.3735 10.6469 10.6469 k = 0.2727-0.4802-0.2902 ( 4236 PWs) bands (ev): -20.1768 -20.1768 -18.3497 -18.3497 -18.3442 -18.3442 -15.3677 -15.3677 -15.3581 -15.3581 -15.3527 -15.3527 -6.4296 -6.4296 -5.6598 -5.6598 -4.7969 -4.7969 -4.0828 -4.0828 -3.8425 -3.8425 -3.0895 -3.0895 2.6695 2.6695 3.4389 3.4389 3.8801 3.8801 4.4598 4.4598 4.9832 4.9832 5.2303 5.2303 7.3069 7.3069 8.8053 8.8053 9.4175 9.4175 10.6260 10.6260 k = 0.2841-0.5002-0.3023 ( 4238 PWs) bands (ev): -20.1756 -20.1756 -18.3496 -18.3496 -18.3441 -18.3441 -15.3676 -15.3676 -15.3581 -15.3581 -15.3525 -15.3525 -6.3906 -6.3906 -5.6455 -5.6455 -4.8021 -4.8021 -4.0900 -4.0900 -3.8535 -3.8535 -3.1282 -3.1282 2.6058 2.6058 3.3979 3.3979 3.8472 3.8472 4.4556 4.4556 4.9784 4.9784 5.2120 5.2120 7.3296 7.3296 8.8219 8.8219 9.4575 9.4575 10.6044 10.6044 k = 0.2955-0.5202-0.3143 ( 4241 PWs) bands (ev): -20.1744 -20.1744 -18.3494 -18.3494 -18.3441 -18.3441 -15.3676 -15.3676 -15.3582 -15.3582 -15.3522 -15.3522 -6.3507 -6.3507 -5.6318 -5.6318 -4.8067 -4.8067 -4.0968 -4.0968 -3.8654 -3.8654 -3.1671 -3.1671 2.5422 2.5422 3.3592 3.3592 3.8159 3.8159 4.4541 4.4541 4.9734 4.9734 5.1940 5.1940 7.3502 7.3502 8.8355 8.8355 9.4927 9.4927 10.5827 10.5827 k = 0.3068-0.5403-0.3264 ( 4242 PWs) bands (ev): -20.1732 -20.1732 -18.3493 -18.3493 -18.3441 -18.3441 -15.3676 -15.3676 -15.3582 -15.3582 -15.3519 -15.3519 -6.3101 -6.3101 -5.6189 -5.6189 -4.8109 -4.8109 -4.1031 -4.1031 -3.8781 -3.8781 -3.2058 -3.2058 2.4789 2.4789 3.3228 3.3228 3.7861 3.7861 4.4554 4.4554 4.9682 4.9682 5.1766 5.1766 7.3686 7.3686 8.8464 8.8464 9.5222 9.5222 10.5616 10.5616 k = 0.3182-0.5603-0.3385 ( 4237 PWs) bands (ev): -20.1720 -20.1720 -18.3492 -18.3492 -18.3440 -18.3440 -15.3676 -15.3676 -15.3582 -15.3582 -15.3516 -15.3516 -6.2690 -6.2690 -5.6068 -5.6068 -4.8146 -4.8146 -4.1090 -4.1090 -3.8919 -3.8919 -3.2438 -3.2438 2.4162 2.4162 3.2887 3.2887 3.7580 3.7580 4.4594 4.4594 4.9630 4.9630 5.1598 5.1598 7.3847 7.3847 8.8547 8.8547 9.5454 9.5454 10.5416 10.5416 k = 0.3295-0.5803-0.3506 ( 4235 PWs) bands (ev): -20.1709 -20.1709 -18.3491 -18.3491 -18.3440 -18.3440 -15.3677 -15.3677 -15.3583 -15.3583 -15.3513 -15.3513 -6.2276 -6.2276 -5.5955 -5.5955 -4.8179 -4.8179 -4.1146 -4.1146 -3.9066 -3.9066 -3.2808 -3.2808 2.3547 2.3547 3.2568 3.2568 3.7314 3.7314 4.4658 4.4658 4.9578 4.9578 5.1438 5.1438 7.3987 7.3987 8.8605 8.8605 9.5622 9.5622 10.5229 10.5229 k = 0.3409-0.6003-0.3627 ( 4237 PWs) bands (ev): -20.1698 -20.1698 -18.3490 -18.3490 -18.3440 -18.3440 -15.3678 -15.3678 -15.3583 -15.3583 -15.3510 -15.3510 -6.1861 -6.1861 -5.5850 -5.5850 -4.8209 -4.8209 -4.1199 -4.1199 -3.9222 -3.9222 -3.3162 -3.3162 2.2946 2.2946 3.2272 3.2272 3.7065 3.7065 4.4746 4.4746 4.9526 4.9526 5.1288 5.1288 7.4107 7.4107 8.8642 8.8642 9.5727 9.5727 10.5059 10.5059 k = 0.3523-0.6203-0.3748 ( 4235 PWs) bands (ev): -20.1688 -20.1688 -18.3489 -18.3489 -18.3439 -18.3439 -15.3678 -15.3678 -15.3583 -15.3583 -15.3506 -15.3506 -6.1449 -6.1449 -5.5752 -5.5752 -4.8237 -4.8237 -4.1250 -4.1250 -3.9388 -3.9388 -3.3497 -3.3497 2.2364 2.2364 3.1997 3.1997 3.6832 3.6832 4.4853 4.4853 4.9475 4.9475 5.1146 5.1146 7.4207 7.4207 8.8658 8.8658 9.5773 9.5773 10.4906 10.4906 k = 0.3636-0.6403-0.3869 ( 4236 PWs) bands (ev): -20.1678 -20.1678 -18.3488 -18.3488 -18.3439 -18.3439 -15.3679 -15.3679 -15.3583 -15.3583 -15.3503 -15.3503 -6.1040 -6.1040 -5.5661 -5.5661 -4.8265 -4.8265 -4.1302 -4.1302 -3.9560 -3.9560 -3.3809 -3.3809 2.1806 2.1806 3.1743 3.1743 3.6614 3.6614 4.4978 4.4978 4.9426 4.9426 5.1015 5.1015 7.4289 7.4289 8.8656 8.8656 9.5767 9.5767 10.4770 10.4770 k = 0.3750-0.6603-0.3990 ( 4233 PWs) bands (ev): -20.1669 -20.1669 -18.3487 -18.3487 -18.3439 -18.3439 -15.3680 -15.3680 -15.3584 -15.3584 -15.3500 -15.3500 -6.0640 -6.0640 -5.5577 -5.5577 -4.8294 -4.8294 -4.1356 -4.1356 -3.9735 -3.9735 -3.4095 -3.4095 2.1275 2.1275 3.1510 3.1510 3.6413 3.6413 4.5115 4.5115 4.9379 4.9379 5.0893 5.0893 7.4355 7.4355 8.8639 8.8639 9.5718 9.5718 10.4650 10.4650 k = 0.3864-0.6803-0.4111 ( 4231 PWs) bands (ev): -20.1660 -20.1660 -18.3487 -18.3487 -18.3438 -18.3438 -15.3681 -15.3681 -15.3584 -15.3584 -15.3497 -15.3497 -6.0252 -6.0252 -5.5498 -5.5498 -4.8325 -4.8325 -4.1415 -4.1415 -3.9908 -3.9908 -3.4354 -3.4354 2.0775 2.0775 3.1298 3.1298 3.6229 3.6229 4.5261 4.5261 4.9334 4.9334 5.0782 5.0782 7.4405 7.4405 8.8608 8.8608 9.5635 9.5635 10.4546 10.4546 k = 0.3977-0.7003-0.4232 ( 4226 PWs) bands (ev): -20.1653 -20.1653 -18.3486 -18.3486 -18.3438 -18.3438 -15.3682 -15.3682 -15.3584 -15.3584 -15.3494 -15.3494 -5.9881 -5.9881 -5.5423 -5.5423 -4.8358 -4.8358 -4.1481 -4.1481 -4.0072 -4.0072 -3.4585 -3.4585 2.0312 2.0312 3.1107 3.1107 3.6061 3.6061 4.5411 4.5411 4.9293 4.9293 5.0682 5.0682 7.4443 7.4443 8.8567 8.8567 9.5528 9.5528 10.4455 10.4455 k = 0.4091-0.7203-0.4352 ( 4229 PWs) bands (ev): -20.1645 -20.1645 -18.3485 -18.3485 -18.3438 -18.3438 -15.3682 -15.3682 -15.3584 -15.3584 -15.3492 -15.3492 -5.9530 -5.9530 -5.5351 -5.5351 -4.8395 -4.8395 -4.1557 -4.1557 -4.0223 -4.0223 -3.4786 -3.4786 1.9887 1.9887 3.0935 3.0935 3.5911 3.5911 4.5562 4.5562 4.9255 4.9255 5.0592 5.0592 7.4470 7.4470 8.8518 8.8518 9.5407 9.5407 10.4378 10.4378 k = 0.4205-0.7404-0.4473 ( 4229 PWs) bands (ev): -20.1639 -20.1639 -18.3485 -18.3485 -18.3437 -18.3437 -15.3683 -15.3683 -15.3584 -15.3584 -15.3489 -15.3489 -5.9206 -5.9206 -5.5282 -5.5282 -4.8436 -4.8436 -4.1643 -4.1643 -4.0353 -4.0353 -3.4960 -3.4960 1.9504 1.9504 3.0784 3.0784 3.5777 3.5777 4.5708 4.5708 4.9220 4.9220 5.0513 5.0513 7.4488 7.4488 8.8464 8.8464 9.5281 9.5281 10.4312 10.4312 k = 0.4318-0.7604-0.4594 ( 4229 PWs) bands (ev): -20.1633 -20.1633 -18.3485 -18.3485 -18.3437 -18.3437 -15.3684 -15.3684 -15.3584 -15.3584 -15.3487 -15.3487 -5.8914 -5.8914 -5.5215 -5.5215 -4.8480 -4.8480 -4.1738 -4.1738 -4.0459 -4.0459 -3.5107 -3.5107 1.9166 1.9166 3.0653 3.0653 3.5660 3.5660 4.5845 4.5845 4.9189 4.9189 5.0445 5.0445 7.4498 7.4498 8.8409 8.8409 9.5158 9.5158 10.4257 10.4257 k = 0.4432-0.7804-0.4715 ( 4229 PWs) bands (ev): -20.1629 -20.1629 -18.3484 -18.3484 -18.3437 -18.3437 -15.3685 -15.3685 -15.3584 -15.3584 -15.3485 -15.3485 -5.8658 -5.8658 -5.5152 -5.5152 -4.8524 -4.8524 -4.1835 -4.1835 -4.0542 -4.0542 -3.5228 -3.5228 1.8875 1.8875 3.0542 3.0542 3.5562 3.5562 4.5968 4.5968 4.9163 4.9163 5.0387 5.0387 7.4503 7.4503 8.8356 8.8356 9.5043 9.5043 10.4212 10.4212 k = 0.4545-0.8004-0.4836 ( 4226 PWs) bands (ev): -20.1625 -20.1625 -18.3484 -18.3484 -18.3437 -18.3437 -15.3685 -15.3685 -15.3584 -15.3584 -15.3484 -15.3484 -5.8443 -5.8443 -5.5093 -5.5093 -4.8568 -4.8568 -4.1929 -4.1929 -4.0603 -4.0603 -3.5324 -3.5324 1.8634 1.8634 3.0451 3.0451 3.5480 3.5480 4.6075 4.6075 4.9141 4.9141 5.0340 5.0340 7.4505 7.4505 8.8307 8.8307 9.4943 9.4943 10.4177 10.4177 k = 0.4659-0.8204-0.4957 ( 4220 PWs) bands (ev): -20.1621 -20.1621 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3483 -15.3483 -5.8273 -5.8273 -5.5042 -5.5042 -4.8607 -4.8607 -4.2011 -4.2011 -4.0646 -4.0646 -3.5398 -3.5398 1.8445 1.8445 3.0380 3.0380 3.5417 3.5417 4.6162 4.6162 4.9124 4.9124 5.0303 5.0303 7.4504 7.4504 8.8266 8.8266 9.4862 9.4862 10.4150 10.4150 k = 0.4773-0.8404-0.5078 ( 4222 PWs) bands (ev): -20.1619 -20.1619 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.8150 -5.8150 -5.5002 -5.5002 -4.8638 -4.8638 -4.2074 -4.2074 -4.0675 -4.0675 -3.5449 -3.5449 1.8309 1.8309 3.0329 3.0329 3.5372 3.5372 4.6226 4.6226 4.9112 4.9112 5.0277 5.0277 7.4503 7.4503 8.8235 8.8235 9.4801 9.4801 10.4131 10.4131 k = 0.4886-0.8604-0.5199 ( 4220 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8075 -5.8075 -5.4977 -5.4977 -4.8659 -4.8659 -4.2115 -4.2115 -4.0691 -4.0691 -3.5480 -3.5480 1.8227 1.8227 3.0299 3.0299 3.5345 3.5345 4.6266 4.6266 4.9104 4.9104 5.0261 5.0261 7.4502 7.4502 8.8215 8.8215 9.4764 9.4764 10.4120 10.4120 k = 0.5000-0.8804-0.5320 ( 4204 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8050 -5.8050 -5.4968 -5.4968 -4.8666 -4.8666 -4.2128 -4.2128 -4.0696 -4.0696 -3.5490 -3.5490 1.8200 1.8200 3.0289 3.0289 3.5336 3.5336 4.6279 4.6279 4.9102 4.9102 5.0256 5.0256 7.4501 7.4501 8.8209 8.8209 9.4752 9.4752 10.4116 10.4116 k = 0.5000-0.8804-0.5320 ( 4204 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8050 -5.8050 -5.4968 -5.4968 -4.8666 -4.8666 -4.2128 -4.2128 -4.0696 -4.0696 -3.5490 -3.5490 1.8200 1.8200 3.0289 3.0289 3.5336 3.5336 4.6279 4.6279 4.9102 4.9102 5.0256 5.0256 7.4501 7.4501 8.8209 8.8209 9.4752 9.4752 10.4116 10.4116 k = 0.5000-0.8672-0.5538 ( 4216 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8044 -5.8044 -5.4967 -5.4967 -4.8663 -4.8663 -4.2125 -4.2125 -4.0697 -4.0697 -3.5504 -3.5504 1.8208 1.8208 3.0287 3.0287 3.5311 3.5311 4.6279 4.6279 4.9059 4.9059 5.0265 5.0265 7.4540 7.4540 8.8232 8.8232 9.4759 9.4759 10.4140 10.4140 k = 0.5000-0.8540-0.5757 ( 4214 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3685 -15.3685 -15.3584 -15.3584 -15.3482 -15.3482 -5.8024 -5.8024 -5.4965 -5.4965 -4.8656 -4.8656 -4.2116 -4.2116 -4.0699 -4.0699 -3.5545 -3.5545 1.8234 1.8234 3.0280 3.0280 3.5238 3.5238 4.6280 4.6280 4.8933 4.8933 5.0292 5.0292 7.4656 7.4656 8.8302 8.8302 9.4782 9.4782 10.4213 10.4213 k = 0.5000-0.8408-0.5975 ( 4216 PWs) bands (ev): -20.1616 -20.1616 -18.3483 -18.3483 -18.3436 -18.3436 -15.3684 -15.3684 -15.3584 -15.3584 -15.3483 -15.3483 -5.7990 -5.7990 -5.4963 -5.4963 -4.8644 -4.8644 -4.2100 -4.2100 -4.0703 -4.0703 -3.5614 -3.5614 1.8277 1.8277 3.0268 3.0268 3.5119 3.5119 4.6280 4.6280 4.8725 4.8725 5.0338 5.0338 7.4841 7.4841 8.8418 8.8418 9.4819 9.4819 10.4335 10.4335 k = 0.5000-0.8276-0.6194 ( 4216 PWs) bands (ev): -20.1615 -20.1615 -18.3483 -18.3483 -18.3437 -18.3437 -15.3683 -15.3683 -15.3584 -15.3584 -15.3484 -15.3484 -5.7944 -5.7944 -5.4959 -5.4959 -4.8628 -4.8628 -4.2079 -4.2079 -4.0708 -4.0708 -3.5710 -3.5710 1.8336 1.8336 3.0248 3.0248 3.4961 3.4961 4.6281 4.6281 4.8442 4.8442 5.0403 5.0403 7.5089 7.5089 8.8578 8.8578 9.4870 9.4870 10.4505 10.4505 k = 0.5000-0.8144-0.6412 ( 4216 PWs) bands (ev): -20.1614 -20.1614 -18.3482 -18.3482 -18.3437 -18.3437 -15.3681 -15.3681 -15.3584 -15.3584 -15.3486 -15.3486 -5.7885 -5.7885 -5.4954 -5.4954 -4.8607 -4.8607 -4.2051 -4.2051 -4.0715 -4.0715 -3.5833 -3.5833 1.8412 1.8412 3.0218 3.0218 3.4768 3.4768 4.6282 4.6282 4.8094 4.8094 5.0484 5.0484 7.5387 7.5387 8.8781 8.8781 9.4936 9.4936 10.4722 10.4722 k = 0.5000-0.8012-0.6631 ( 4218 PWs) bands (ev): -20.1612 -20.1612 -18.3482 -18.3482 -18.3437 -18.3437 -15.3679 -15.3679 -15.3584 -15.3584 -15.3489 -15.3489 -5.7814 -5.7814 -5.4949 -5.4949 -4.8581 -4.8581 -4.2017 -4.2017 -4.0722 -4.0722 -3.5981 -3.5981 1.8504 1.8504 3.0173 3.0173 3.4548 3.4548 4.6281 4.6281 4.7694 4.7694 5.0576 5.0576 7.5723 7.5723 8.9024 8.9024 9.5016 9.5016 10.4987 10.4987 k = 0.5000-0.7880-0.6849 ( 4212 PWs) bands (ev): -20.1611 -20.1611 -18.3481 -18.3481 -18.3437 -18.3437 -15.3676 -15.3676 -15.3583 -15.3583 -15.3491 -15.3491 -5.7731 -5.7731 -5.4944 -5.4944 -4.8551 -4.8551 -4.1977 -4.1977 -4.0730 -4.0730 -3.6154 -3.6154 1.8612 1.8612 3.0111 3.0111 3.4309 3.4309 4.6278 4.6278 4.7257 4.7257 5.0675 5.0675 7.6084 7.6084 8.9303 8.9303 9.5111 9.5111 10.5298 10.5298 k = 0.5000-0.7748-0.7068 ( 4216 PWs) bands (ev): -20.1609 -20.1609 -18.3481 -18.3481 -18.3438 -18.3438 -15.3673 -15.3673 -15.3583 -15.3583 -15.3494 -15.3494 -5.7636 -5.7636 -5.4938 -5.4938 -4.8516 -4.8516 -4.1931 -4.1931 -4.0739 -4.0739 -3.6352 -3.6352 1.8734 1.8734 3.0027 3.0027 3.4057 3.4057 4.6267 4.6267 4.6802 4.6802 5.0777 5.0777 7.6459 7.6459 8.9612 8.9612 9.5219 9.5219 10.5654 10.5654 k = 0.5000-0.7616-0.7286 ( 4218 PWs) bands (ev): -20.1606 -20.1606 -18.3480 -18.3480 -18.3438 -18.3438 -15.3670 -15.3670 -15.3583 -15.3583 -15.3497 -15.3497 -5.7531 -5.7531 -5.4932 -5.4932 -4.8478 -4.8478 -4.1880 -4.1880 -4.0747 -4.0747 -3.6572 -3.6572 1.8871 1.8871 2.9917 2.9917 3.3800 3.3800 4.6188 4.6188 4.6403 4.6403 5.0879 5.0879 7.6836 7.6836 8.9943 8.9943 9.5342 9.5342 10.6055 10.6055 k = 0.5000-0.7484-0.7505 ( 4216 PWs) bands (ev): -20.1604 -20.1604 -18.3479 -18.3479 -18.3439 -18.3439 -15.3666 -15.3666 -15.3583 -15.3583 -15.3501 -15.3501 -5.7415 -5.7415 -5.4926 -5.4926 -4.8435 -4.8435 -4.1822 -4.1822 -4.0755 -4.0755 -3.6813 -3.6813 1.9020 1.9020 2.9780 2.9780 3.3540 3.3540 4.5807 4.5807 4.6308 4.6308 5.0978 5.0978 7.7204 7.7204 9.0288 9.0288 9.5479 9.5479 10.6500 10.6500 k = 0.5000-0.7352-0.7723 ( 4218 PWs) bands (ev): -20.1602 -20.1602 -18.3478 -18.3478 -18.3439 -18.3439 -15.3662 -15.3662 -15.3582 -15.3582 -15.3505 -15.3505 -5.7291 -5.7291 -5.4921 -5.4921 -4.8389 -4.8389 -4.1759 -4.1759 -4.0762 -4.0762 -3.7075 -3.7075 1.9181 1.9181 2.9614 2.9614 3.3281 3.3281 4.5362 4.5362 4.6291 4.6291 5.1071 5.1071 7.7555 7.7555 9.0637 9.0637 9.5632 9.5632 10.6986 10.6986 k = 0.5000-0.7220-0.7942 ( 4214 PWs) bands (ev): -20.1599 -20.1599 -18.3477 -18.3477 -18.3440 -18.3440 -15.3658 -15.3658 -15.3582 -15.3582 -15.3509 -15.3509 -5.7159 -5.7159 -5.4916 -5.4916 -4.8340 -4.8340 -4.1690 -4.1690 -4.0768 -4.0768 -3.7353 -3.7353 1.9353 1.9353 2.9421 2.9421 3.3022 3.3022 4.4937 4.4937 4.6278 4.6278 5.1158 5.1158 7.7883 7.7883 9.0977 9.0977 9.5801 9.5801 10.7512 10.7512 k = 0.5000-0.7088-0.8160 ( 4218 PWs) bands (ev): -20.1596 -20.1596 -18.3477 -18.3477 -18.3440 -18.3440 -15.3654 -15.3654 -15.3581 -15.3581 -15.3513 -15.3513 -5.7020 -5.7020 -5.4911 -5.4911 -4.8288 -4.8288 -4.1615 -4.1615 -4.0773 -4.0773 -3.7648 -3.7648 1.9533 1.9533 2.9206 2.9206 3.2760 3.2760 4.4549 4.4549 4.6265 4.6265 5.1238 5.1238 7.8182 7.8182 9.1296 9.1296 9.5985 9.5985 10.8077 10.8077 k = 0.5000-0.6956-0.8379 ( 4230 PWs) bands (ev): -20.1594 -20.1594 -18.3476 -18.3476 -18.3441 -18.3441 -15.3649 -15.3649 -15.3581 -15.3581 -15.3517 -15.3517 -5.6877 -5.6877 -5.4907 -5.4907 -4.8234 -4.8234 -4.1536 -4.1536 -4.0777 -4.0777 -3.7955 -3.7955 1.9721 1.9721 2.8973 2.8973 3.2492 3.2492 4.4209 4.4209 4.6250 4.6250 5.1312 5.1312 7.8449 7.8449 9.1584 9.1584 9.6184 9.6184 10.8678 10.8678 k = 0.5000-0.6824-0.8597 ( 4230 PWs) bands (ev): -20.1591 -20.1591 -18.3475 -18.3475 -18.3441 -18.3441 -15.3644 -15.3644 -15.3581 -15.3581 -15.3522 -15.3522 -5.6730 -5.6730 -5.4903 -5.4903 -4.8179 -4.8179 -4.1451 -4.1451 -4.0780 -4.0780 -3.8271 -3.8271 1.9912 1.9912 2.8732 2.8732 3.2212 3.2212 4.3924 4.3924 4.6232 4.6232 5.1379 5.1379 7.8681 7.8681 9.1830 9.1830 9.6394 9.6394 10.9312 10.9312 k = 0.5000-0.6692-0.8815 ( 4228 PWs) bands (ev): -20.1589 -20.1589 -18.3474 -18.3474 -18.3442 -18.3442 -15.3639 -15.3639 -15.3580 -15.3580 -15.3527 -15.3527 -5.6582 -5.6582 -5.4899 -5.4899 -4.8123 -4.8123 -4.1362 -4.1362 -4.0782 -4.0782 -3.8592 -3.8592 2.0104 2.0104 2.8488 2.8488 3.1919 3.1919 4.3699 4.3699 4.6210 4.6210 5.1441 5.1441 7.8877 7.8877 9.2030 9.2030 9.6608 9.6608 10.9976 10.9976 k = 0.5000-0.6560-0.9034 ( 4226 PWs) bands (ev): -20.1586 -20.1586 -18.3473 -18.3473 -18.3442 -18.3442 -15.3634 -15.3634 -15.3580 -15.3580 -15.3532 -15.3532 -5.6436 -5.6436 -5.4893 -5.4893 -4.8069 -4.8069 -4.1270 -4.1270 -4.0783 -4.0783 -3.8914 -3.8914 2.0294 2.0294 2.8251 2.8251 3.1610 3.1610 4.3537 4.3537 4.6185 4.6185 5.1499 5.1499 7.9036 7.9036 9.2180 9.2180 9.6820 9.6820 11.0665 11.0665 k = 0.5000-0.6428-0.9252 ( 4230 PWs) bands (ev): -20.1584 -20.1584 -18.3472 -18.3472 -18.3443 -18.3443 -15.3629 -15.3629 -15.3580 -15.3580 -15.3536 -15.3536 -5.6294 -5.6294 -5.4886 -5.4886 -4.8016 -4.8016 -4.1176 -4.1176 -4.0785 -4.0785 -3.9229 -3.9229 2.0478 2.0478 2.8029 2.8029 3.1286 3.1286 4.3438 4.3438 4.6157 4.6157 5.1553 5.1553 7.9158 7.9158 9.2280 9.2280 9.7019 9.7019 11.1375 11.1375 k = 0.5000-0.6296-0.9471 ( 4216 PWs) bands (ev): -20.1581 -20.1581 -18.3471 -18.3471 -18.3443 -18.3443 -15.3624 -15.3624 -15.3580 -15.3580 -15.3541 -15.3541 -5.6161 -5.6161 -5.4876 -5.4876 -4.7967 -4.7967 -4.1087 -4.1087 -4.0788 -4.0788 -3.9527 -3.9527 2.0652 2.0652 2.7829 2.7829 3.0950 3.0950 4.3399 4.3399 4.6126 4.6126 5.1606 5.1606 7.9245 7.9245 9.2333 9.2333 9.7195 9.7195 11.2099 11.2099 k = 0.5000-0.6164-0.9689 ( 4200 PWs) bands (ev): -20.1579 -20.1579 -18.3471 -18.3471 -18.3444 -18.3444 -15.3619 -15.3619 -15.3580 -15.3580 -15.3545 -15.3545 -5.6039 -5.6039 -5.4862 -5.4862 -4.7924 -4.7924 -4.1022 -4.1022 -4.0782 -4.0782 -3.9794 -3.9794 2.0809 2.0809 2.7658 2.7658 3.0608 3.0608 4.3417 4.3417 4.6092 4.6092 5.1659 5.1659 7.9297 7.9297 9.2342 9.2342 9.7341 9.7341 11.2829 11.2829 k = 0.5000-0.6032-0.9908 ( 4206 PWs) bands (ev): -20.1578 -20.1578 -18.3470 -18.3470 -18.3444 -18.3444 -15.3614 -15.3614 -15.3581 -15.3581 -15.3549 -15.3549 -5.5932 -5.5932 -5.4844 -5.4844 -4.7887 -4.7887 -4.1023 -4.1023 -4.0742 -4.0742 -4.0006 -4.0006 2.0947 2.0947 2.7521 2.7521 3.0267 3.0267 4.3486 4.3486 4.6056 4.6056 5.1712 5.1712 7.9315 7.9315 9.2314 9.2314 9.7448 9.7448 11.3554 11.3554 k = 0.5000-0.5900-1.0126 ( 4210 PWs) bands (ev): -20.1576 -20.1576 -18.3469 -18.3469 -18.3444 -18.3444 -15.3609 -15.3609 -15.3582 -15.3582 -15.3553 -15.3553 -5.5845 -5.5845 -5.4821 -5.4821 -4.7860 -4.7860 -4.1110 -4.1110 -4.0667 -4.0667 -4.0139 -4.0139 2.1061 2.1061 2.7422 2.7422 2.9935 2.9935 4.3600 4.3600 4.6019 4.6019 5.1767 5.1767 7.9302 7.9302 9.2251 9.2251 9.7513 9.7513 11.4264 11.4264 k = 0.5000-0.5768-1.0345 ( 4226 PWs) bands (ev): -20.1575 -20.1575 -18.3469 -18.3469 -18.3445 -18.3445 -15.3604 -15.3604 -15.3584 -15.3584 -15.3556 -15.3556 -5.5778 -5.5778 -5.4794 -5.4794 -4.7844 -4.7844 -4.1259 -4.1259 -4.0588 -4.0588 -4.0182 -4.0182 2.1147 2.1147 2.7359 2.7359 2.9625 2.9625 4.3754 4.3754 4.5982 4.5982 5.1824 5.1824 7.9259 7.9259 9.2158 9.2158 9.7532 9.7532 11.4942 11.4942 k = 0.5000-0.5636-1.0563 ( 4230 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3600 -15.3600 -15.3586 -15.3586 -15.3557 -15.3557 -5.5732 -5.5732 -5.4769 -5.4769 -4.7840 -4.7840 -4.1433 -4.1433 -4.0525 -4.0525 -4.0146 -4.0146 2.1206 2.1206 2.7325 2.7325 2.9352 2.9352 4.3941 4.3941 4.5945 4.5945 5.1884 5.1884 7.9188 7.9188 9.2041 9.2041 9.7507 9.7507 11.5357 11.5357 k = 0.5000-0.5504-1.0782 ( 4236 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3597 -15.3597 -15.3589 -15.3589 -15.3558 -15.3558 -5.5706 -5.5706 -5.4750 -5.4750 -4.7849 -4.7849 -4.1605 -4.1605 -4.0481 -4.0481 -4.0050 -4.0050 2.1236 2.1236 2.7306 2.7306 2.9137 2.9137 4.4154 4.4154 4.5909 4.5909 5.1947 5.1947 7.9092 7.9092 9.1902 9.1902 9.7439 9.7439 11.4849 11.4849 k = 0.5000-0.5372-1.1000 ( 4230 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3597 -15.3597 -15.3589 -15.3589 -15.3558 -15.3558 -5.5698 -5.5698 -5.4744 -5.4744 -4.7870 -4.7870 -4.1757 -4.1757 -4.0445 -4.0445 -3.9917 -3.9917 2.1243 2.1243 2.7278 2.7278 2.9005 2.9005 4.4389 4.4389 4.5876 4.5876 5.2014 5.2014 7.8972 7.8972 9.1747 9.1747 9.7331 9.7331 11.4319 11.4319 k = 0.5000-0.5240-1.1219 ( 4226 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3600 -15.3600 -15.3586 -15.3586 -15.3558 -15.3558 -5.5705 -5.5705 -5.4758 -5.4758 -4.7902 -4.7902 -4.1880 -4.1880 -4.0412 -4.0412 -3.9760 -3.9760 2.1230 2.1230 2.7219 2.7219 2.8979 2.8979 4.4639 4.4639 4.5846 4.5846 5.2083 5.2083 7.8832 7.8832 9.1579 9.1579 9.7188 9.7188 11.3790 11.3790 k = 0.5000-0.5108-1.1437 ( 4226 PWs) bands (ev): -20.1575 -20.1575 -18.3469 -18.3469 -18.3445 -18.3445 -15.3604 -15.3604 -15.3584 -15.3584 -15.3556 -15.3556 -5.5727 -5.5727 -5.4797 -5.4797 -4.7941 -4.7941 -4.1968 -4.1968 -4.0379 -4.0379 -3.9586 -3.9586 2.1204 2.1204 2.7123 2.7123 2.9064 2.9064 4.4899 4.4899 4.5822 4.5822 5.2156 5.2156 7.8674 7.8674 9.1402 9.1402 9.7013 9.7013 11.3269 11.3269 k = 0.8175-0.4269-0.9841 ( 4226 PWs) bands (ev): -20.1575 -20.1575 -18.3469 -18.3469 -18.3445 -18.3445 -15.3604 -15.3604 -15.3584 -15.3584 -15.3556 -15.3556 -5.5727 -5.5727 -5.4797 -5.4797 -4.7941 -4.7941 -4.1968 -4.1968 -4.0379 -4.0379 -3.9586 -3.9586 2.1204 2.1204 2.7123 2.7123 2.9064 2.9064 4.4899 4.4899 4.5822 4.5822 5.2156 5.2156 7.8674 7.8674 9.1402 9.1402 9.7013 9.7013 11.3269 11.3269 k = 0.8108-0.4153-0.9620 ( 4222 PWs) bands (ev): -20.1576 -20.1576 -18.3469 -18.3469 -18.3444 -18.3444 -15.3608 -15.3608 -15.3581 -15.3581 -15.3555 -15.3555 -5.5766 -5.5766 -5.4864 -5.4864 -4.7984 -4.7984 -4.2023 -4.2023 -4.0345 -4.0345 -3.9393 -3.9393 2.1170 2.1170 2.7001 2.7001 2.9248 2.9248 4.5165 4.5165 4.5806 4.5806 5.2233 5.2233 7.8497 7.8497 9.1215 9.1215 9.6811 9.6811 11.2754 11.2754 k = 0.8042-0.4036-0.9398 ( 4230 PWs) bands (ev): -20.1578 -20.1578 -18.3470 -18.3470 -18.3444 -18.3444 -15.3612 -15.3612 -15.3579 -15.3579 -15.3553 -15.3553 -5.5823 -5.5823 -5.4960 -5.4960 -4.8027 -4.8027 -4.2043 -4.2043 -4.0310 -4.0310 -3.9184 -3.9184 2.1135 2.1135 2.6873 2.6873 2.9508 2.9508 4.5424 4.5424 4.5806 4.5806 5.2312 5.2312 7.8307 7.8307 9.1026 9.1026 9.6587 9.6587 11.2256 11.2256 k = 0.7976-0.3920-0.9176 ( 4228 PWs) bands (ev): -20.1581 -20.1581 -18.3471 -18.3471 -18.3444 -18.3444 -15.3617 -15.3617 -15.3578 -15.3578 -15.3551 -15.3551 -5.5909 -5.5909 -5.5076 -5.5076 -4.8064 -4.8064 -4.2031 -4.2031 -4.0276 -4.0276 -3.8960 -3.8960 2.1105 2.1105 2.6755 2.6755 2.9825 2.9825 4.5633 4.5633 4.5858 4.5858 5.2393 5.2393 7.8107 7.8107 9.0837 9.0837 9.6347 9.6347 11.1778 11.1778 k = 0.7910-0.3803-0.8955 ( 4226 PWs) bands (ev): -20.1584 -20.1584 -18.3471 -18.3471 -18.3444 -18.3444 -15.3621 -15.3621 -15.3576 -15.3576 -15.3548 -15.3548 -5.6034 -5.6034 -5.5199 -5.5199 -4.8093 -4.8093 -4.1992 -4.1992 -4.0242 -4.0242 -3.8718 -3.8718 2.1086 2.1086 2.6658 2.6658 3.0185 3.0185 4.5714 4.5714 4.6040 4.6040 5.2476 5.2476 7.7898 7.7898 9.0651 9.0651 9.6097 9.6097 11.1324 11.1324 k = 0.7844-0.3687-0.8733 ( 4226 PWs) bands (ev): -20.1588 -20.1588 -18.3472 -18.3472 -18.3443 -18.3443 -15.3625 -15.3625 -15.3575 -15.3575 -15.3546 -15.3546 -5.6215 -5.6215 -5.5314 -5.5314 -4.8113 -4.8113 -4.1930 -4.1930 -4.0209 -4.0209 -3.8458 -3.8458 2.1083 2.1083 2.6589 2.6589 3.0577 3.0577 4.5740 4.5740 4.6273 4.6273 5.2560 5.2560 7.7685 7.7685 9.0471 9.0471 9.5840 9.5840 11.0896 11.0896 k = 0.7778-0.3570-0.8511 ( 4218 PWs) bands (ev): -20.1592 -20.1592 -18.3473 -18.3473 -18.3443 -18.3443 -15.3629 -15.3629 -15.3574 -15.3574 -15.3544 -15.3544 -5.6459 -5.6459 -5.5407 -5.5407 -4.8121 -4.8121 -4.1851 -4.1851 -4.0177 -4.0177 -3.8180 -3.8180 2.1101 2.1101 2.6552 2.6552 3.0995 3.0995 4.5762 4.5762 4.6503 4.6503 5.2644 5.2644 7.7469 7.7469 9.0299 9.0299 9.5580 9.5580 11.0496 11.0496 k = 0.7712-0.3454-0.8290 ( 4218 PWs) bands (ev): -20.1597 -20.1597 -18.3474 -18.3474 -18.3443 -18.3443 -15.3633 -15.3633 -15.3573 -15.3573 -15.3542 -15.3542 -5.6763 -5.6763 -5.5478 -5.5478 -4.8120 -4.8120 -4.1758 -4.1758 -4.0147 -4.0147 -3.7882 -3.7882 2.1142 2.1142 2.6551 2.6551 3.1432 3.1432 4.5790 4.5790 4.6719 4.6719 5.2728 5.2728 7.7253 7.7253 9.0138 9.0138 9.5322 9.5322 11.0126 11.0126 k = 0.7645-0.3338-0.8068 ( 4222 PWs) bands (ev): -20.1603 -20.1603 -18.3475 -18.3475 -18.3442 -18.3442 -15.3637 -15.3637 -15.3573 -15.3573 -15.3540 -15.3540 -5.7116 -5.7116 -5.5532 -5.5532 -4.8110 -4.8110 -4.1656 -4.1656 -4.0120 -4.0120 -3.7564 -3.7564 2.1212 2.1212 2.6586 2.6586 3.1884 3.1884 4.5825 4.5825 4.6915 4.6915 5.2812 5.2812 7.7039 7.7039 8.9989 8.9989 9.5069 9.5069 10.9788 10.9788 k = 0.7579-0.3221-0.7846 ( 4220 PWs) bands (ev): -20.1609 -20.1609 -18.3476 -18.3476 -18.3442 -18.3442 -15.3640 -15.3640 -15.3572 -15.3572 -15.3539 -15.3539 -5.7510 -5.7510 -5.5574 -5.5574 -4.8093 -4.8093 -4.1547 -4.1547 -4.0095 -4.0095 -3.7226 -3.7226 2.1311 2.1311 2.6658 2.6658 3.2348 3.2348 4.5869 4.5869 4.7088 4.7088 5.2894 5.2894 7.6828 7.6828 8.9853 8.9853 9.4823 9.4823 10.9484 10.9484 k = 0.7513-0.3105-0.7625 ( 4230 PWs) bands (ev): -20.1616 -20.1616 -18.3477 -18.3477 -18.3442 -18.3442 -15.3643 -15.3643 -15.3572 -15.3572 -15.3538 -15.3538 -5.7934 -5.7934 -5.5606 -5.5606 -4.8072 -4.8072 -4.1436 -4.1436 -4.0073 -4.0073 -3.6868 -3.6868 2.1443 2.1443 2.6769 2.6769 3.2820 3.2820 4.5923 4.5923 4.7235 4.7235 5.2973 5.2973 7.6621 7.6621 8.9732 8.9732 9.4589 9.4589 10.9214 10.9214 k = 0.7447-0.2988-0.7403 ( 4224 PWs) bands (ev): -20.1624 -20.1624 -18.3478 -18.3478 -18.3442 -18.3442 -15.3646 -15.3646 -15.3571 -15.3571 -15.3537 -15.3537 -5.8383 -5.8383 -5.5631 -5.5631 -4.8047 -4.8047 -4.1325 -4.1325 -4.0054 -4.0054 -3.6490 -3.6490 2.1610 2.1610 2.6919 2.6919 3.3297 3.3297 4.5986 4.5986 4.7354 4.7354 5.3051 5.3051 7.6421 7.6421 8.9625 8.9625 9.4367 9.4367 10.8981 10.8981 k = 0.7381-0.2872-0.7182 ( 4222 PWs) bands (ev): -20.1632 -20.1632 -18.3479 -18.3479 -18.3442 -18.3442 -15.3649 -15.3649 -15.3571 -15.3571 -15.3536 -15.3536 -5.8850 -5.8850 -5.5651 -5.5651 -4.8022 -4.8022 -4.1214 -4.1214 -4.0038 -4.0038 -3.6094 -3.6094 2.1813 2.1813 2.7107 2.7107 3.3776 3.3776 4.6058 4.6058 4.7444 4.7444 5.3126 5.3126 7.6226 7.6226 8.9533 8.9533 9.4161 9.4161 10.8784 10.8784 k = 0.7315-0.2755-0.6960 ( 4228 PWs) bands (ev): -20.1640 -20.1640 -18.3480 -18.3480 -18.3442 -18.3442 -15.3651 -15.3651 -15.3571 -15.3571 -15.3536 -15.3536 -5.9331 -5.9331 -5.5667 -5.5667 -4.7997 -4.7997 -4.1106 -4.1106 -4.0025 -4.0025 -3.5681 -3.5681 2.2053 2.2053 2.7334 2.7334 3.4256 3.4256 4.6140 4.6140 4.7504 4.7504 5.3197 5.3197 7.6038 7.6038 8.9454 8.9454 9.3972 9.3972 10.8625 10.8625 k = 0.7249-0.2639-0.6738 ( 4228 PWs) bands (ev): -20.1650 -20.1650 -18.3482 -18.3482 -18.3442 -18.3442 -15.3654 -15.3654 -15.3571 -15.3571 -15.3535 -15.3535 -5.9821 -5.9821 -5.5679 -5.5679 -4.7974 -4.7974 -4.1001 -4.1001 -4.0015 -4.0015 -3.5252 -3.5252 2.2331 2.2331 2.7599 2.7599 3.4732 3.4732 4.6232 4.6232 4.7534 4.7534 5.3264 5.3264 7.5856 7.5856 8.9388 8.9388 9.3802 9.3802 10.8505 10.8505 k = 0.7183-0.2522-0.6517 ( 4236 PWs) bands (ev): -20.1659 -20.1659 -18.3483 -18.3483 -18.3442 -18.3442 -15.3656 -15.3656 -15.3570 -15.3570 -15.3535 -15.3535 -6.0316 -6.0316 -5.5688 -5.5688 -4.7954 -4.7954 -4.0900 -4.0900 -4.0008 -4.0008 -3.4809 -3.4809 2.2648 2.2648 2.7902 2.7902 3.5204 3.5204 4.6332 4.6332 4.7534 4.7534 5.3328 5.3328 7.5678 7.5678 8.9332 8.9332 9.3652 9.3652 10.8424 10.8424 k = 0.7116-0.2406-0.6295 ( 4238 PWs) bands (ev): -20.1670 -20.1670 -18.3484 -18.3484 -18.3442 -18.3442 -15.3658 -15.3658 -15.3570 -15.3570 -15.3536 -15.3536 -6.0814 -6.0814 -5.5694 -5.5694 -4.7936 -4.7936 -4.0804 -4.0804 -4.0004 -4.0004 -3.4354 -3.4354 2.3003 2.3003 2.8243 2.8243 3.5669 3.5669 4.6441 4.6441 4.7505 4.7505 5.3387 5.3387 7.5503 7.5503 8.9284 8.9284 9.3523 9.3523 10.8382 10.8382 k = 0.7050-0.2289-0.6073 ( 4236 PWs) bands (ev): -20.1680 -20.1680 -18.3486 -18.3486 -18.3442 -18.3442 -15.3660 -15.3660 -15.3571 -15.3571 -15.3536 -15.3536 -6.1313 -6.1313 -5.5698 -5.5698 -4.7923 -4.7923 -4.0712 -4.0712 -4.0002 -4.0002 -3.3888 -3.3888 2.3397 2.3397 2.8620 2.8620 3.6124 3.6124 4.6558 4.6558 4.7450 4.7450 5.3441 5.3441 7.5330 7.5330 8.9241 8.9241 9.3414 9.3414 10.8380 10.8380 k = 0.6984-0.2173-0.5852 ( 4232 PWs) bands (ev): -20.1691 -20.1691 -18.3487 -18.3487 -18.3442 -18.3442 -15.3661 -15.3661 -15.3571 -15.3571 -15.3537 -15.3537 -6.1809 -6.1809 -5.5700 -5.5700 -4.7913 -4.7913 -4.0625 -4.0625 -4.0002 -4.0002 -3.3414 -3.3414 2.3829 2.3829 2.9034 2.9034 3.6567 3.6567 4.6682 4.6682 4.7372 4.7372 5.3490 5.3490 7.5157 7.5157 8.9200 8.9200 9.3326 9.3326 10.8418 10.8418 k = 0.6918-0.2057-0.5630 ( 4240 PWs) bands (ev): -20.1703 -20.1703 -18.3488 -18.3488 -18.3442 -18.3442 -15.3663 -15.3663 -15.3571 -15.3571 -15.3537 -15.3537 -6.2301 -6.2301 -5.5701 -5.5701 -4.7907 -4.7907 -4.0544 -4.0544 -4.0003 -4.0003 -3.2934 -3.2934 2.4298 2.4298 2.9483 2.9483 3.6996 3.6996 4.6812 4.6812 4.7274 4.7274 5.3535 5.3535 7.4981 7.4981 8.9158 8.9158 9.3256 9.3256 10.8492 10.8492 k = 0.6852-0.1940-0.5408 ( 4240 PWs) bands (ev): -20.1715 -20.1715 -18.3490 -18.3490 -18.3442 -18.3442 -15.3665 -15.3665 -15.3571 -15.3571 -15.3538 -15.3538 -6.2787 -6.2787 -5.5701 -5.5701 -4.7904 -4.7904 -4.0469 -4.0469 -4.0004 -4.0004 -3.2449 -3.2449 2.4804 2.4804 2.9967 2.9967 3.7408 3.7408 4.6935 4.6935 4.7172 4.7172 5.3574 5.3574 7.4800 7.4800 8.9111 8.9111 9.3201 9.3201 10.8581 10.8581 k = 0.6786-0.1824-0.5187 ( 4234 PWs) bands (ev): -20.1727 -20.1727 -18.3491 -18.3491 -18.3442 -18.3442 -15.3666 -15.3666 -15.3572 -15.3572 -15.3538 -15.3538 -6.3265 -6.3265 -5.5700 -5.5700 -4.7905 -4.7905 -4.0401 -4.0401 -4.0004 -4.0004 -3.1961 -3.1961 2.5344 2.5344 3.0484 3.0484 3.7801 3.7801 4.6959 4.6959 4.7161 4.7161 5.3608 5.3608 7.4612 7.4612 8.9056 8.9056 9.3158 9.3158 10.8400 10.8400 k = 0.6720-0.1707-0.4965 ( 4234 PWs) bands (ev): -20.1739 -20.1739 -18.3493 -18.3493 -18.3442 -18.3442 -15.3668 -15.3668 -15.3572 -15.3572 -15.3539 -15.3539 -6.3734 -6.3734 -5.5699 -5.5699 -4.7910 -4.7910 -4.0342 -4.0342 -3.9999 -3.9999 -3.1473 -3.1473 2.5918 2.5918 3.1034 3.1034 3.8172 3.8172 4.6841 4.6841 4.7288 4.7288 5.3637 5.3637 7.4415 7.4415 8.8988 8.8988 9.3122 9.3122 10.8001 10.8001 k = 0.6653-0.1591-0.4743 ( 4238 PWs) bands (ev): -20.1752 -20.1752 -18.3494 -18.3494 -18.3442 -18.3442 -15.3669 -15.3669 -15.3573 -15.3573 -15.3539 -15.3539 -6.4193 -6.4193 -5.5698 -5.5698 -4.7917 -4.7917 -4.0295 -4.0295 -3.9987 -3.9987 -3.0987 -3.0987 2.6524 2.6524 3.1616 3.1616 3.8518 3.8518 4.6698 4.6698 4.7441 4.7441 5.3661 5.3661 7.4206 7.4206 8.8905 8.8905 9.3087 9.3087 10.7601 10.7601 k = 0.6587-0.1474-0.4522 ( 4242 PWs) bands (ev): -20.1764 -20.1764 -18.3496 -18.3496 -18.3442 -18.3442 -15.3671 -15.3671 -15.3574 -15.3574 -15.3539 -15.3539 -6.4641 -6.4641 -5.5697 -5.5697 -4.7927 -4.7927 -4.0263 -4.0263 -3.9964 -3.9964 -3.0503 -3.0503 2.7158 2.7158 3.2229 3.2229 3.8836 3.8836 4.6551 4.6551 4.7603 4.7603 5.3680 5.3680 7.3983 7.3983 8.8804 8.8804 9.3047 9.3047 10.7211 10.7211 k = 0.6521-0.1358-0.4300 ( 4242 PWs) bands (ev): -20.1777 -20.1777 -18.3497 -18.3497 -18.3442 -18.3442 -15.3673 -15.3673 -15.3575 -15.3575 -15.3539 -15.3539 -6.5076 -6.5076 -5.5697 -5.5697 -4.7939 -4.7939 -4.0246 -4.0246 -3.9929 -3.9929 -3.0025 -3.0025 2.7820 2.7820 3.2870 3.2870 3.9125 3.9125 4.6409 4.6409 4.7770 4.7770 5.3693 5.3693 7.3744 7.3744 8.8679 8.8679 9.2995 9.2995 10.6834 10.6834 k = 0.6455-0.1241-0.4078 ( 4240 PWs) bands (ev): -20.1790 -20.1790 -18.3499 -18.3499 -18.3442 -18.3442 -15.3674 -15.3674 -15.3577 -15.3577 -15.3539 -15.3539 -6.5498 -6.5498 -5.5698 -5.5698 -4.7953 -4.7953 -4.0242 -4.0242 -3.9885 -3.9885 -2.9553 -2.9553 2.8504 2.8504 3.3540 3.3540 3.9380 3.9380 4.6278 4.6278 4.7939 4.7939 5.3702 5.3702 7.3488 7.3488 8.8528 8.8528 9.2925 9.2925 10.6470 10.6470 k = 0.6389-0.1125-0.3857 ( 4238 PWs) bands (ev): -20.1803 -20.1803 -18.3501 -18.3501 -18.3442 -18.3442 -15.3676 -15.3676 -15.3578 -15.3578 -15.3539 -15.3539 -6.5905 -6.5905 -5.5700 -5.5700 -4.7968 -4.7968 -4.0246 -4.0246 -3.9835 -3.9835 -2.9090 -2.9090 2.9209 2.9209 3.4236 3.4236 3.9601 3.9601 4.6164 4.6164 4.8112 4.8112 5.3705 5.3705 7.3213 7.3213 8.8347 8.8347 9.2832 9.2832 10.6121 10.6121 k = 0.6323-0.1008-0.3635 ( 4240 PWs) bands (ev): -20.1815 -20.1815 -18.3502 -18.3502 -18.3443 -18.3443 -15.3678 -15.3678 -15.3580 -15.3580 -15.3538 -15.3538 -6.6298 -6.6298 -5.5703 -5.5703 -4.7984 -4.7984 -4.0256 -4.0256 -3.9782 -3.9782 -2.8637 -2.8637 2.9930 2.9930 3.4957 3.4957 3.9786 3.9786 4.6072 4.6072 4.8284 4.8284 5.3703 5.3703 7.2916 7.2916 8.8132 8.8132 9.2713 9.2713 10.5788 10.5788 k = 0.6257-0.0892-0.3413 ( 4238 PWs) bands (ev): -20.1828 -20.1828 -18.3504 -18.3504 -18.3443 -18.3443 -15.3681 -15.3681 -15.3581 -15.3581 -15.3537 -15.3537 -6.6675 -6.6675 -5.5708 -5.5708 -4.8000 -4.8000 -4.0269 -4.0269 -3.9727 -3.9727 -2.8196 -2.8196 3.0661 3.0661 3.5701 3.5701 3.9935 3.9935 4.6006 4.6006 4.8457 4.8457 5.3696 5.3696 7.2598 7.2598 8.7879 8.7879 9.2564 9.2564 10.5475 10.5475 k = 0.6190-0.0776-0.3192 ( 4236 PWs) bands (ev): -20.1840 -20.1840 -18.3505 -18.3505 -18.3443 -18.3443 -15.3683 -15.3683 -15.3583 -15.3583 -15.3536 -15.3536 -6.7036 -6.7036 -5.5715 -5.5715 -4.8017 -4.8017 -4.0284 -4.0284 -3.9671 -3.9671 -2.7768 -2.7768 3.1398 3.1398 3.6465 3.6465 4.0051 4.0051 4.5971 4.5971 4.8628 4.8628 5.3683 5.3683 7.2257 7.2257 8.7585 8.7585 9.2386 9.2386 10.5183 10.5183 k = 0.6124-0.0659-0.2970 ( 4236 PWs) bands (ev): -20.1852 -20.1852 -18.3507 -18.3507 -18.3443 -18.3443 -15.3685 -15.3685 -15.3584 -15.3584 -15.3535 -15.3535 -6.7380 -6.7380 -5.5723 -5.5723 -4.8033 -4.8033 -4.0301 -4.0301 -3.9616 -3.9616 -2.7355 -2.7355 3.2133 3.2133 3.7248 3.7248 4.0140 4.0140 4.5966 4.5966 4.8796 4.8796 5.3664 5.3664 7.1891 7.1891 8.7249 8.7249 9.2182 9.2182 10.4914 10.4914 k = 0.6058-0.0543-0.2748 ( 4238 PWs) bands (ev): -20.1864 -20.1864 -18.3508 -18.3508 -18.3443 -18.3443 -15.3688 -15.3688 -15.3585 -15.3585 -15.3534 -15.3534 -6.7706 -6.7706 -5.5732 -5.5732 -4.8050 -4.8050 -4.0318 -4.0318 -3.9562 -3.9562 -2.6957 -2.6957 3.2858 3.2858 3.8044 3.8044 4.0209 4.0209 4.5993 4.5993 4.8960 4.8960 5.3640 5.3640 7.1499 7.1499 8.6870 8.6870 9.1955 9.1955 10.4668 10.4668 k = 0.5992-0.0426-0.2527 ( 4240 PWs) bands (ev): -20.1875 -20.1875 -18.3510 -18.3510 -18.3443 -18.3443 -15.3690 -15.3690 -15.3587 -15.3587 -15.3532 -15.3532 -6.8015 -6.8015 -5.5742 -5.5742 -4.8065 -4.8065 -4.0334 -4.0334 -3.9509 -3.9509 -2.6577 -2.6577 3.3562 3.3562 3.8849 3.8849 4.0272 4.0272 4.6051 4.6051 4.9119 4.9119 5.3609 5.3609 7.1081 7.1081 8.6448 8.6448 9.1712 9.1712 10.4446 10.4446 k = 0.5926-0.0310-0.2305 ( 4238 PWs) bands (ev): -20.1886 -20.1886 -18.3511 -18.3511 -18.3443 -18.3443 -15.3693 -15.3693 -15.3588 -15.3588 -15.3531 -15.3531 -6.8306 -6.8306 -5.5754 -5.5754 -4.8080 -4.8080 -4.0351 -4.0351 -3.9458 -3.9458 -2.6216 -2.6216 3.4233 3.4233 3.9643 3.9643 4.0355 4.0355 4.6139 4.6139 4.9271 4.9271 5.3570 5.3570 7.0636 7.0636 8.5989 8.5989 9.1456 9.1456 10.4247 10.4247 k = 0.5860-0.0193-0.2083 ( 4242 PWs) bands (ev): -20.1897 -20.1897 -18.3513 -18.3513 -18.3443 -18.3443 -15.3695 -15.3695 -15.3589 -15.3589 -15.3529 -15.3529 -6.8578 -6.8578 -5.5767 -5.5767 -4.8094 -4.8094 -4.0366 -4.0366 -3.9409 -3.9409 -2.5874 -2.5874 3.4856 3.4856 4.0247 4.0247 4.0648 4.0648 4.6256 4.6256 4.9415 4.9415 5.3524 5.3524 7.0164 7.0164 8.5499 8.5499 9.1195 9.1195 10.4069 10.4069 k = 0.5794-0.0077-0.1862 ( 4262 PWs) bands (ev): -20.1906 -20.1906 -18.3514 -18.3514 -18.3443 -18.3443 -15.3698 -15.3698 -15.3591 -15.3591 -15.3528 -15.3528 -6.8831 -6.8831 -5.5780 -5.5780 -4.8107 -4.8107 -4.0382 -4.0382 -3.9361 -3.9361 -2.5554 -2.5554 3.5414 3.5414 4.0442 4.0442 4.1378 4.1378 4.6404 4.6404 4.9551 4.9551 5.3469 5.3469 6.9666 6.9666 8.4985 8.4985 9.0934 9.0934 10.3910 10.3910 k = 0.5728 0.0040-0.1640 ( 4262 PWs) bands (ev): -20.1916 -20.1916 -18.3515 -18.3515 -18.3443 -18.3443 -15.3700 -15.3700 -15.3592 -15.3592 -15.3526 -15.3526 -6.9065 -6.9065 -5.5794 -5.5794 -4.8120 -4.8120 -4.0396 -4.0396 -3.9316 -3.9316 -2.5255 -2.5255 3.5889 3.5889 4.0614 4.0614 4.2167 4.2167 4.6586 4.6586 4.9678 4.9678 5.3405 5.3405 6.9142 6.9142 8.4458 8.4458 9.0676 9.0676 10.3767 10.3767 k = 0.5661 0.0156-0.1419 ( 4262 PWs) bands (ev): -20.1924 -20.1924 -18.3516 -18.3516 -18.3443 -18.3443 -15.3703 -15.3703 -15.3593 -15.3593 -15.3525 -15.3525 -6.9280 -6.9280 -5.5808 -5.5808 -4.8131 -4.8131 -4.0409 -4.0409 -3.9274 -3.9274 -2.4979 -2.4979 3.6271 3.6271 4.0834 4.0834 4.2937 4.2937 4.6807 4.6807 4.9794 4.9794 5.3332 5.3332 6.8596 6.8596 8.3929 8.3929 9.0428 9.0428 10.3640 10.3640 k = 0.5595 0.0273-0.1197 ( 4258 PWs) bands (ev): -20.1932 -20.1932 -18.3518 -18.3518 -18.3443 -18.3443 -15.3705 -15.3705 -15.3593 -15.3593 -15.3523 -15.3523 -6.9475 -6.9475 -5.5821 -5.5821 -4.8141 -4.8141 -4.0421 -4.0421 -3.9235 -3.9235 -2.4727 -2.4727 3.6556 3.6556 4.1108 4.1108 4.3665 4.3665 4.7076 4.7076 4.9899 4.9899 5.3249 5.3249 6.8033 6.8033 8.3410 8.3410 9.0192 9.0192 10.3527 10.3527 k = 0.5529 0.0389-0.0975 ( 4258 PWs) bands (ev): -20.1939 -20.1939 -18.3518 -18.3518 -18.3443 -18.3443 -15.3707 -15.3707 -15.3594 -15.3594 -15.3522 -15.3522 -6.9650 -6.9650 -5.5835 -5.5835 -4.8149 -4.8149 -4.0432 -4.0432 -3.9198 -3.9198 -2.4499 -2.4499 3.6754 3.6754 4.1425 4.1425 4.4327 4.4327 4.7405 4.7405 4.9993 4.9993 5.3157 5.3157 6.7457 6.7457 8.2912 8.2912 8.9971 8.9971 10.3425 10.3425 k = 0.5463 0.0506-0.0754 ( 4264 PWs) bands (ev): -20.1946 -20.1946 -18.3519 -18.3519 -18.3443 -18.3443 -15.3709 -15.3709 -15.3595 -15.3595 -15.3521 -15.3521 -6.9805 -6.9805 -5.5847 -5.5847 -4.8157 -4.8157 -4.0441 -4.0441 -3.9166 -3.9166 -2.4296 -2.4296 3.6881 3.6881 4.1762 4.1762 4.4906 4.4906 4.7797 4.7797 5.0077 5.0077 5.3058 5.3058 6.6879 6.6879 8.2447 8.2447 8.9768 8.9768 10.3336 10.3336 k = 0.5397 0.0622-0.0532 ( 4272 PWs) bands (ev): -20.1951 -20.1951 -18.3520 -18.3520 -18.3443 -18.3443 -15.3711 -15.3711 -15.3596 -15.3596 -15.3520 -15.3520 -6.9939 -6.9939 -5.5859 -5.5859 -4.8164 -4.8164 -4.0450 -4.0450 -3.9137 -3.9137 -2.4119 -2.4119 3.6957 3.6957 4.2097 4.2097 4.5391 4.5391 4.8246 4.8246 5.0149 5.0149 5.2954 5.2954 6.6311 6.6311 8.2023 8.2023 8.9587 8.9587 10.3258 10.3258 k = 0.5331 0.0738-0.0310 ( 4278 PWs) bands (ev): -20.1956 -20.1956 -18.3521 -18.3521 -18.3443 -18.3443 -15.3712 -15.3712 -15.3596 -15.3596 -15.3519 -15.3519 -7.0053 -7.0053 -5.5869 -5.5869 -4.8170 -4.8170 -4.0457 -4.0457 -3.9112 -3.9112 -2.3969 -2.3969 3.6996 3.6996 4.2407 4.2407 4.5786 4.5786 4.8724 4.8724 5.0213 5.0213 5.2849 5.2849 6.5769 6.5769 8.1650 8.1650 8.9429 8.9429 10.3191 10.3191 k = 0.5265 0.0855-0.0089 ( 4274 PWs) bands (ev): -20.1960 -20.1960 -18.3521 -18.3521 -18.3443 -18.3443 -15.3714 -15.3714 -15.3596 -15.3596 -15.3518 -15.3518 -7.0146 -7.0146 -5.5877 -5.5877 -4.8174 -4.8174 -4.0463 -4.0463 -3.9091 -3.9091 -2.3845 -2.3845 3.7013 3.7013 4.2676 4.2676 4.6103 4.6103 4.9189 4.9189 5.0273 5.0273 5.2748 5.2748 6.5273 6.5273 8.1335 8.1335 8.9296 8.9296 10.3136 10.3136 k = 0.5198 0.0971 0.0133 ( 4280 PWs) bands (ev): -20.1963 -20.1963 -18.3522 -18.3522 -18.3443 -18.3443 -15.3715 -15.3715 -15.3597 -15.3597 -15.3517 -15.3517 -7.0219 -7.0219 -5.5884 -5.5884 -4.8178 -4.8178 -4.0467 -4.0467 -3.9075 -3.9075 -2.3748 -2.3748 3.7018 3.7018 4.2893 4.2893 4.6350 4.6350 4.9590 4.9590 5.0335 5.0335 5.2659 5.2659 6.4848 6.4848 8.1084 8.1084 8.9192 8.9192 10.3093 10.3093 k = 0.5132 0.1088 0.0355 ( 4288 PWs) bands (ev): -20.1966 -20.1966 -18.3522 -18.3522 -18.3443 -18.3443 -15.3715 -15.3715 -15.3597 -15.3597 -15.3517 -15.3517 -7.0271 -7.0271 -5.5889 -5.5889 -4.8180 -4.8180 -4.0470 -4.0470 -3.9063 -3.9063 -2.3679 -2.3679 3.7018 3.7018 4.3051 4.3051 4.6530 4.6530 4.9875 4.9875 5.0415 5.0415 5.2588 5.2588 6.4518 6.4518 8.0901 8.0901 8.9116 8.9116 10.3062 10.3062 k = 0.5066 0.1204 0.0576 ( 4292 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0302 -7.0302 -5.5893 -5.5893 -4.8182 -4.8182 -4.0472 -4.0472 -3.9056 -3.9056 -2.3637 -2.3637 3.7015 3.7015 4.3146 4.3146 4.6641 4.6641 5.0020 5.0020 5.0502 5.0502 5.2543 5.2543 6.4308 6.4308 8.0790 8.0790 8.9070 8.9070 10.3043 10.3043 k = 0.5000 0.1321 0.0798 ( 4304 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0313 -7.0313 -5.5894 -5.5894 -4.8182 -4.8182 -4.0473 -4.0473 -3.9054 -3.9054 -2.3623 -2.3623 3.7014 3.7014 4.3178 4.3178 4.6679 4.6679 5.0061 5.0061 5.0541 5.0541 5.2527 5.2527 6.4235 6.4235 8.0753 8.0753 8.9054 8.9054 10.3036 10.3036 k = 0.5000 0.1321 0.0798 ( 4304 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0313 -7.0313 -5.5894 -5.5894 -4.8182 -4.8182 -4.0473 -4.0473 -3.9054 -3.9054 -2.3623 -2.3623 3.7014 3.7014 4.3178 4.3178 4.6679 4.6679 5.0061 5.0061 5.0541 5.0541 5.2527 5.2527 6.4235 6.4235 8.0753 8.0753 8.9054 8.9054 10.3036 10.3036 k = 0.4762 0.1258 0.0760 ( 4286 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0308 -7.0308 -5.5918 -5.5918 -4.8167 -4.8167 -4.0458 -4.0458 -3.9054 -3.9054 -2.3637 -2.3637 3.7029 3.7029 4.3183 4.3183 4.6683 4.6683 5.0053 5.0053 5.0536 5.0536 5.2501 5.2501 6.4252 6.4252 8.0764 8.0764 8.9063 8.9063 10.3031 10.3031 k = 0.4524 0.1195 0.0722 ( 4280 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0294 -7.0294 -5.5988 -5.5988 -4.8123 -4.8123 -4.0413 -4.0413 -3.9054 -3.9054 -2.3676 -2.3676 3.7072 3.7072 4.3197 4.3197 4.6694 4.6694 5.0031 5.0031 5.0520 5.0520 5.2425 5.2425 6.4303 6.4303 8.0796 8.0796 8.9089 8.9089 10.3016 10.3016 k = 0.4286 0.1132 0.0684 ( 4277 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0270 -7.0270 -5.6102 -5.6102 -4.8054 -4.8054 -4.0338 -4.0338 -3.9054 -3.9054 -2.3742 -2.3742 3.7144 3.7144 4.3221 4.3221 4.6713 4.6713 4.9994 4.9994 5.0493 5.0493 5.2300 5.2300 6.4384 6.4384 8.0849 8.0849 8.9132 8.9132 10.2990 10.2990 k = 0.4048 0.1069 0.0646 ( 4259 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0238 -7.0238 -5.6255 -5.6255 -4.7963 -4.7963 -4.0233 -4.0233 -3.9054 -3.9054 -2.3833 -2.3833 3.7243 3.7243 4.3254 4.3254 4.6739 4.6739 4.9942 4.9942 5.0456 5.0456 5.2130 5.2130 6.4494 6.4494 8.0922 8.0922 8.9191 8.9191 10.2955 10.2955 k = 0.3810 0.1006 0.0608 ( 4247 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0197 -7.0197 -5.6440 -5.6440 -4.7856 -4.7856 -4.0101 -4.0101 -3.9054 -3.9054 -2.3948 -2.3948 3.7368 3.7368 4.3297 4.3297 4.6772 4.6772 4.9878 4.9878 5.0409 5.0409 5.1918 5.1918 6.4629 6.4629 8.1013 8.1013 8.9264 8.9264 10.2911 10.2911 k = 0.3571 0.0943 0.0570 ( 4241 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0148 -7.0148 -5.6652 -5.6652 -4.7739 -4.7739 -3.9942 -3.9942 -3.9054 -3.9054 -2.4085 -2.4085 3.7519 3.7519 4.3349 4.3349 4.6812 4.6812 4.9800 4.9800 5.0353 5.0353 5.1670 5.1670 6.4784 6.4784 8.1121 8.1121 8.9351 8.9351 10.2858 10.2858 k = 0.3333 0.0880 0.0532 ( 4247 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0092 -7.0092 -5.6883 -5.6883 -4.7617 -4.7617 -3.9758 -3.9758 -3.9054 -3.9054 -2.4242 -2.4242 3.7692 3.7692 4.3411 4.3411 4.6859 4.6859 4.9709 4.9709 5.0288 5.0288 5.1390 5.1390 6.4954 6.4954 8.1243 8.1243 8.9450 8.9450 10.2798 10.2798 k = 0.3095 0.0818 0.0494 ( 4247 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0030 -7.0030 -5.7127 -5.7127 -4.7494 -4.7494 -3.9551 -3.9551 -3.9054 -3.9054 -2.4417 -2.4417 3.7886 3.7886 4.3482 4.3482 4.6912 4.6912 4.9606 4.9606 5.0215 5.0215 5.1084 5.1084 6.5136 6.5136 8.1378 8.1378 8.9558 8.9558 10.2731 10.2731 k = 0.2857 0.0755 0.0456 ( 4253 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9963 -6.9963 -5.7379 -5.7379 -4.7375 -4.7375 -3.9326 -3.9326 -3.9054 -3.9054 -2.4608 -2.4608 3.8098 3.8098 4.3563 4.3563 4.6971 4.6971 4.9489 4.9489 5.0136 5.0136 5.0762 5.0762 6.5324 6.5324 8.1521 8.1521 8.9674 8.9674 10.2658 10.2658 k = 0.2619 0.0692 0.0418 ( 4256 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9892 -6.9892 -5.7632 -5.7632 -4.7262 -4.7262 -3.9085 -3.9085 -3.9054 -3.9054 -2.4811 -2.4811 3.8325 3.8325 4.3655 4.3655 4.7034 4.7034 4.9355 4.9355 5.0050 5.0050 5.0431 5.0431 6.5514 6.5514 8.1671 8.1671 8.9795 8.9795 10.2581 10.2581 k = 0.2381 0.0629 0.0380 ( 4262 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9818 -6.9818 -5.7882 -5.7882 -4.7156 -4.7156 -3.9054 -3.9054 -3.8834 -3.8834 -2.5023 -2.5023 3.8563 3.8563 4.3757 4.3757 4.7103 4.7103 4.9195 4.9195 4.9960 4.9960 5.0108 5.0108 6.5702 6.5702 8.1824 8.1824 8.9918 8.9918 10.2501 10.2501 k = 0.2143 0.0566 0.0342 ( 4253 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9743 -6.9743 -5.8124 -5.8124 -4.7060 -4.7060 -3.9054 -3.9054 -3.8577 -3.8577 -2.5240 -2.5240 3.8808 3.8808 4.3871 4.3871 4.7175 4.7175 4.8995 4.8995 4.9812 4.9812 4.9867 4.9867 6.5884 6.5884 8.1978 8.1978 9.0041 9.0041 10.2420 10.2420 k = 0.1905 0.0503 0.0304 ( 4259 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9669 -6.9669 -5.8354 -5.8354 -4.6975 -4.6975 -3.9054 -3.9054 -3.8321 -3.8321 -2.5456 -2.5456 3.9054 3.9054 4.3997 4.3997 4.7249 4.7249 4.8739 4.8739 4.9567 4.9567 4.9772 4.9772 6.6057 6.6057 8.2127 8.2127 9.0160 9.0160 10.2339 10.2339 k = 0.1667 0.0440 0.0266 ( 4262 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9597 -6.9597 -5.8568 -5.8568 -4.6899 -4.6899 -3.9054 -3.9054 -3.8071 -3.8071 -2.5667 -2.5667 3.9296 3.9296 4.4138 4.4138 4.7324 4.7324 4.8427 4.8427 4.9379 4.9379 4.9678 4.9678 6.6218 6.6218 8.2269 8.2269 9.0274 9.0274 10.2260 10.2260 k = 0.1429 0.0377 0.0228 ( 4247 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9530 -6.9530 -5.8762 -5.8762 -4.6835 -4.6835 -3.9054 -3.9054 -3.7834 -3.7834 -2.5868 -2.5868 3.9527 3.9527 4.4293 4.4293 4.7399 4.7399 4.8078 4.8078 4.9235 4.9235 4.9585 4.9585 6.6363 6.6363 8.2401 8.2401 9.0379 9.0379 10.2186 10.2186 k = 0.1190 0.0314 0.0190 ( 4247 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9469 -6.9469 -5.8932 -5.8932 -4.6781 -4.6781 -3.9054 -3.9054 -3.7617 -3.7617 -2.6052 -2.6052 3.9741 3.9741 4.4466 4.4466 4.7471 4.7471 4.7712 4.7712 4.9122 4.9122 4.9498 4.9498 6.6490 6.6490 8.2519 8.2519 9.0473 9.0473 10.2119 10.2119 k = 0.0952 0.0252 0.0152 ( 4253 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9416 -6.9416 -5.9076 -5.9076 -4.6737 -4.6737 -3.9054 -3.9054 -3.7427 -3.7427 -2.6214 -2.6214 3.9929 3.9929 4.4655 4.4655 4.7346 4.7346 4.7537 4.7537 4.9034 4.9034 4.9418 4.9418 6.6597 6.6597 8.2621 8.2621 9.0553 9.0553 10.2060 10.2060 k = 0.0714 0.0189 0.0114 ( 4253 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9373 -6.9373 -5.9191 -5.9191 -4.6703 -4.6703 -3.9054 -3.9054 -3.7271 -3.7271 -2.6348 -2.6348 4.0085 4.0085 4.4859 4.4859 4.6994 4.6994 4.7595 4.7595 4.8966 4.8966 4.9350 4.9350 6.6682 6.6682 8.2702 8.2702 9.0618 9.0618 10.2012 10.2012 k = 0.0476 0.0126 0.0076 ( 4256 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9341 -6.9341 -5.9275 -5.9275 -4.6679 -4.6679 -3.9054 -3.9054 -3.7155 -3.7155 -2.6447 -2.6447 4.0202 4.0202 4.5068 4.5068 4.6672 4.6672 4.7640 4.7640 4.8918 4.8918 4.9298 4.9298 6.6744 6.6744 8.2763 8.2763 9.0665 9.0665 10.1976 10.1976 k = 0.0238 0.0063 0.0038 ( 4256 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9321 -6.9321 -5.9326 -5.9326 -4.6665 -4.6665 -3.9054 -3.9054 -3.7083 -3.7083 -2.6509 -2.6509 4.0274 4.0274 4.5253 4.5253 4.6417 4.6417 4.7668 4.7668 4.8889 4.8889 4.9264 4.9264 6.6781 6.6781 8.2799 8.2799 9.0694 9.0694 10.1954 10.1954 k = 0.0000 0.0000 0.0000 ( 4255 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9315 -6.9315 -5.9343 -5.9343 -4.6660 -4.6660 -3.9054 -3.9054 -3.7059 -3.7059 -2.6530 -2.6530 4.0299 4.0299 4.5338 4.5338 4.6309 4.6309 4.7678 4.7678 4.8879 4.8879 4.9253 4.9253 6.6794 6.6794 8.2812 8.2812 9.0704 9.0704 10.1947 10.1947 k = 0.0000 0.0000 0.0000 ( 4255 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9315 -6.9315 -5.9343 -5.9343 -4.6660 -4.6660 -3.9054 -3.9054 -3.7059 -3.7059 -2.6530 -2.6530 4.0299 4.0299 4.5338 4.5338 4.6309 4.6309 4.7678 4.7678 4.8879 4.8879 4.9253 4.9253 6.6794 6.6794 8.2812 8.2812 9.0704 9.0704 10.1947 10.1947 k = 0.0066-0.0116-0.0220 ( 4257 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -6.9305 -6.9305 -5.9337 -5.9337 -4.6663 -4.6663 -3.9059 -3.9059 -3.7062 -3.7062 -2.6535 -2.6535 4.0233 4.0233 4.5150 4.5150 4.6392 4.6392 4.7729 4.7729 4.8922 4.8922 4.9259 4.9259 6.6818 6.6818 8.2819 8.2819 9.0669 9.0669 10.1995 10.1995 k = 0.0131-0.0231-0.0440 ( 4257 PWs) bands (ev): -20.1966 -20.1966 -18.3522 -18.3522 -18.3443 -18.3443 -15.3715 -15.3715 -15.3597 -15.3597 -15.3517 -15.3517 -6.9277 -6.9277 -5.9318 -5.9318 -4.6673 -4.6673 -3.9074 -3.9074 -3.7071 -3.7071 -2.6550 -2.6550 4.0040 4.0040 4.4754 4.4754 4.6462 4.6462 4.7875 4.7875 4.9048 4.9048 4.9288 4.9288 6.6891 6.6891 8.2841 8.2841 9.0567 9.0567 10.2134 10.2134 k = 0.0197-0.0347-0.0660 ( 4257 PWs) bands (ev): -20.1964 -20.1964 -18.3522 -18.3522 -18.3443 -18.3443 -15.3715 -15.3715 -15.3597 -15.3597 -15.3517 -15.3517 -6.9230 -6.9230 -5.9288 -5.9288 -4.6690 -4.6690 -3.9099 -3.9099 -3.7086 -3.7086 -2.6576 -2.6576 3.9728 3.9728 4.4301 4.4301 4.6403 4.6403 4.8055 4.8055 4.9177 4.9177 4.9444 4.9444 6.7009 6.7009 8.2877 8.2877 9.0413 9.0413 10.2356 10.2356 k = 0.0263-0.0462-0.0880 ( 4259 PWs) bands (ev): -20.1961 -20.1961 -18.3521 -18.3521 -18.3443 -18.3443 -15.3714 -15.3714 -15.3596 -15.3596 -15.3518 -15.3518 -6.9164 -6.9164 -5.9245 -5.9245 -4.6713 -4.6713 -3.9134 -3.9134 -3.7107 -3.7107 -2.6613 -2.6613 3.9312 3.9312 4.3834 4.3834 4.6244 4.6244 4.8192 4.8192 4.9207 4.9207 4.9824 4.9824 6.7167 6.7167 8.2929 8.2929 9.0222 9.0222 10.2648 10.2648 k = 0.0328-0.0578-0.1100 ( 4259 PWs) bands (ev): -20.1957 -20.1957 -18.3521 -18.3521 -18.3443 -18.3443 -15.3712 -15.3712 -15.3596 -15.3596 -15.3519 -15.3519 -6.9080 -6.9080 -5.9191 -5.9191 -4.6743 -4.6743 -3.9179 -3.9179 -3.7133 -3.7133 -2.6662 -2.6662 3.8810 3.8810 4.3358 4.3358 4.6029 4.6029 4.8269 4.8269 4.9204 4.9204 5.0311 5.0311 6.7358 6.7358 8.2996 8.2996 9.0017 9.0017 10.2996 10.2996 k = 0.0394-0.0693-0.1320 ( 4261 PWs) bands (ev): -20.1952 -20.1952 -18.3520 -18.3520 -18.3443 -18.3443 -15.3711 -15.3711 -15.3596 -15.3596 -15.3520 -15.3520 -6.8977 -6.8977 -5.9125 -5.9125 -4.6779 -4.6779 -3.9232 -3.9232 -3.7165 -3.7165 -2.6722 -2.6722 3.8242 3.8242 4.2868 4.2868 4.5786 4.5786 4.8303 4.8303 4.9183 4.9183 5.0835 5.0835 6.7577 6.7577 8.3080 8.3080 8.9817 8.9817 10.3386 10.3386 k = 0.0459-0.0809-0.1540 ( 4269 PWs) bands (ev): -20.1946 -20.1946 -18.3519 -18.3519 -18.3443 -18.3443 -15.3709 -15.3709 -15.3595 -15.3595 -15.3521 -15.3521 -6.8856 -6.8856 -5.9047 -5.9047 -4.6821 -4.6821 -3.9294 -3.9294 -3.7202 -3.7202 -2.6796 -2.6796 3.7628 3.7628 4.2357 4.2357 4.5530 4.5530 4.8307 4.8307 4.9147 4.9147 5.1359 5.1359 6.7818 6.7818 8.3181 8.3181 8.9639 8.9639 10.3807 10.3807 k = 0.0525-0.0924-0.1760 ( 4267 PWs) bands (ev): -20.1940 -20.1940 -18.3519 -18.3519 -18.3443 -18.3443 -15.3707 -15.3707 -15.3594 -15.3594 -15.3522 -15.3522 -6.8716 -6.8716 -5.8958 -5.8958 -4.6869 -4.6869 -3.9365 -3.9365 -3.7245 -3.7245 -2.6883 -2.6883 3.6984 3.6984 4.1822 4.1822 4.5269 4.5269 4.8287 4.8287 4.9094 4.9094 5.1858 5.1858 6.8077 6.8077 8.3302 8.3302 8.9500 8.9500 10.4252 10.4252 k = 0.0591-0.1040-0.1980 ( 4265 PWs) bands (ev): -20.1933 -20.1933 -18.3518 -18.3518 -18.3443 -18.3443 -15.3705 -15.3705 -15.3594 -15.3594 -15.3523 -15.3523 -6.8559 -6.8559 -5.8859 -5.8859 -4.6923 -4.6923 -3.9442 -3.9442 -3.7292 -3.7292 -2.6985 -2.6985 3.6323 3.6323 4.1262 4.1262 4.5006 4.5006 4.8247 4.8247 4.9026 4.9026 5.2316 5.2316 6.8352 6.8352 8.3444 8.3444 8.9408 8.9408 10.4711 10.4711 k = 0.0656-0.1156-0.2199 ( 4261 PWs) bands (ev): -20.1925 -20.1925 -18.3517 -18.3517 -18.3443 -18.3443 -15.3703 -15.3703 -15.3593 -15.3593 -15.3525 -15.3525 -6.8384 -6.8384 -5.8748 -5.8748 -4.6982 -4.6982 -3.9527 -3.9527 -3.7343 -3.7343 -2.7103 -2.7103 3.5654 3.5654 4.0679 4.0679 4.4743 4.4743 4.8187 4.8187 4.8943 4.8943 5.2722 5.2722 6.8642 6.8642 8.3608 8.3608 8.9372 8.9372 10.5180 10.5180 k = 0.0722-0.1271-0.2419 ( 4255 PWs) bands (ev): -20.1917 -20.1917 -18.3515 -18.3515 -18.3443 -18.3443 -15.3700 -15.3700 -15.3592 -15.3592 -15.3526 -15.3526 -6.8192 -6.8192 -5.8627 -5.8627 -4.7045 -4.7045 -3.9617 -3.9617 -3.7399 -3.7399 -2.7238 -2.7238 3.4985 3.4985 4.0078 4.0078 4.4478 4.4478 4.8108 4.8108 4.8845 4.8845 5.3066 5.3066 6.8948 6.8948 8.3798 8.3798 8.9395 8.9395 10.5656 10.5656 k = 0.0788-0.1387-0.2639 ( 4255 PWs) bands (ev): -20.1907 -20.1907 -18.3514 -18.3514 -18.3443 -18.3443 -15.3698 -15.3698 -15.3591 -15.3591 -15.3528 -15.3528 -6.7982 -6.7982 -5.8497 -5.8497 -4.7114 -4.7114 -3.9713 -3.9713 -3.7459 -3.7459 -2.7390 -2.7390 3.4322 3.4322 3.9464 3.9464 4.4209 4.4209 4.8009 4.8009 4.8733 4.8733 5.3345 5.3345 6.9272 6.9272 8.4013 8.4013 8.9477 8.9477 10.6134 10.6134 k = 0.0853-0.1502-0.2859 ( 4259 PWs) bands (ev): -20.1898 -20.1898 -18.3513 -18.3513 -18.3443 -18.3443 -15.3695 -15.3695 -15.3590 -15.3590 -15.3529 -15.3529 -6.7756 -6.7756 -5.8357 -5.8357 -4.7186 -4.7186 -3.9813 -3.9813 -3.7523 -3.7523 -2.7561 -2.7561 3.3669 3.3669 3.8842 3.8842 4.3935 4.3935 4.7888 4.7888 4.8609 4.8609 5.3555 5.3555 6.9617 6.9617 8.4255 8.4255 8.9616 8.9616 10.6611 10.6611 k = 0.0919-0.1618-0.3079 ( 4253 PWs) bands (ev): -20.1887 -20.1887 -18.3512 -18.3512 -18.3443 -18.3443 -15.3693 -15.3693 -15.3588 -15.3588 -15.3531 -15.3531 -6.7514 -6.7514 -5.8209 -5.8209 -4.7262 -4.7262 -3.9917 -3.9917 -3.7592 -3.7592 -2.7750 -2.7750 3.3029 3.3029 3.8219 3.8219 4.3655 4.3655 4.7743 4.7743 4.8473 4.8473 5.3699 5.3699 6.9985 6.9985 8.4522 8.4522 8.9807 8.9807 10.7086 10.7086 k = 0.0984-0.1733-0.3299 ( 4249 PWs) bands (ev): -20.1877 -20.1877 -18.3510 -18.3510 -18.3443 -18.3443 -15.3690 -15.3690 -15.3587 -15.3587 -15.3532 -15.3532 -6.7256 -6.7256 -5.8052 -5.8052 -4.7341 -4.7341 -4.0024 -4.0024 -3.7663 -3.7663 -2.7960 -2.7960 3.2405 3.2405 3.7599 3.7599 4.3365 4.3365 4.7573 4.7573 4.8328 4.8328 5.3781 5.3781 7.0376 7.0376 8.4816 8.4816 9.0047 9.0047 10.7556 10.7556 k = 0.1050-0.1849-0.3519 ( 4251 PWs) bands (ev): -20.1866 -20.1866 -18.3509 -18.3509 -18.3443 -18.3443 -15.3688 -15.3688 -15.3586 -15.3586 -15.3533 -15.3533 -6.6982 -6.6982 -5.7888 -5.7888 -4.7422 -4.7422 -4.0134 -4.0134 -3.7739 -3.7739 -2.8190 -2.8190 3.1797 3.1797 3.6986 3.6986 4.3066 4.3066 4.7375 4.7375 4.8174 4.8174 5.3808 5.3808 7.0790 7.0790 8.5132 8.5132 9.0327 9.0327 10.8019 10.8019 k = 0.1116-0.1965-0.3739 ( 4261 PWs) bands (ev): -20.1854 -20.1854 -18.3507 -18.3507 -18.3443 -18.3443 -15.3685 -15.3685 -15.3584 -15.3584 -15.3535 -15.3535 -6.6694 -6.6694 -5.7717 -5.7717 -4.7505 -4.7505 -4.0244 -4.0244 -3.7817 -3.7817 -2.8440 -2.8440 3.1208 3.1208 3.6386 3.6386 4.2757 4.2757 4.7148 4.7148 4.8012 4.8012 5.3789 5.3789 7.1226 7.1226 8.5471 8.5471 9.0644 9.0644 10.8474 10.8474 k = 0.1181-0.2080-0.3959 ( 4249 PWs) bands (ev): -20.1842 -20.1842 -18.3506 -18.3506 -18.3443 -18.3443 -15.3683 -15.3683 -15.3583 -15.3583 -15.3536 -15.3536 -6.6391 -6.6391 -5.7539 -5.7539 -4.7589 -4.7589 -4.0356 -4.0356 -3.7899 -3.7899 -2.8712 -2.8712 3.0636 3.0636 3.5802 3.5802 4.2436 4.2436 4.6891 4.6891 4.7846 4.7846 5.3733 5.3733 7.1678 7.1678 8.5830 8.5830 9.0989 9.0989 10.8917 10.8917 k = 0.1247-0.2196-0.4179 ( 4247 PWs) bands (ev): -20.1830 -20.1830 -18.3504 -18.3504 -18.3443 -18.3443 -15.3681 -15.3681 -15.3581 -15.3581 -15.3537 -15.3537 -6.6075 -6.6075 -5.7356 -5.7356 -4.7674 -4.7674 -4.0468 -4.0468 -3.7984 -3.7984 -2.9004 -2.9004 3.0082 3.0082 3.5238 3.5238 4.2104 4.2104 4.6605 4.6605 4.7676 4.7676 5.3650 5.3650 7.2145 7.2145 8.6206 8.6206 9.1358 9.1358 10.9348 10.9348 k = 0.1313-0.2311-0.4399 ( 4249 PWs) bands (ev): -20.1818 -20.1818 -18.3502 -18.3502 -18.3443 -18.3443 -15.3679 -15.3679 -15.3580 -15.3580 -15.3538 -15.3538 -6.5746 -6.5746 -5.7169 -5.7169 -4.7758 -4.7758 -4.0579 -4.0579 -3.8072 -3.8072 -2.9316 -2.9316 2.9546 2.9546 3.4695 3.4695 4.1761 4.1761 4.6291 4.6291 4.7505 4.7505 5.3548 5.3548 7.2622 7.2622 8.6597 8.6597 9.1743 9.1743 10.9764 10.9764 k = 0.1378-0.2427-0.4619 ( 4243 PWs) bands (ev): -20.1805 -20.1805 -18.3501 -18.3501 -18.3442 -18.3442 -15.3677 -15.3677 -15.3578 -15.3578 -15.3539 -15.3539 -6.5405 -6.5405 -5.6978 -5.6978 -4.7840 -4.7840 -4.0689 -4.0689 -3.8163 -3.8163 -2.9649 -2.9649 2.9027 2.9027 3.4176 3.4176 4.1405 4.1405 4.5952 4.5952 4.7333 4.7333 5.3435 5.3435 7.3103 7.3103 8.6999 8.6999 9.2141 9.2141 11.0163 11.0163 k = 0.1444-0.2542-0.4839 ( 4241 PWs) bands (ev): -20.1792 -20.1792 -18.3499 -18.3499 -18.3442 -18.3442 -15.3675 -15.3675 -15.3577 -15.3577 -15.3539 -15.3539 -6.5053 -6.5053 -5.6784 -5.6784 -4.7921 -4.7921 -4.0797 -4.0797 -3.8256 -3.8256 -3.0002 -3.0002 2.8524 2.8524 3.3682 3.3682 4.1038 4.1038 4.5592 4.5592 4.7161 4.7161 5.3317 5.3317 7.3585 7.3585 8.7410 8.7410 9.2546 9.2546 11.0546 11.0546 k = 0.1509-0.2658-0.5059 ( 4235 PWs) bands (ev): -20.1780 -20.1780 -18.3498 -18.3498 -18.3442 -18.3442 -15.3673 -15.3673 -15.3576 -15.3576 -15.3539 -15.3539 -6.4690 -6.4690 -5.6589 -5.6589 -4.8000 -4.8000 -4.0902 -4.0902 -3.8350 -3.8350 -3.0374 -3.0374 2.8036 2.8036 3.3214 3.3214 4.0660 4.0660 4.5218 4.5218 4.6993 4.6993 5.3198 5.3198 7.4064 7.4064 8.7827 8.7827 9.2953 9.2953 11.0909 11.0909 k = 0.1575-0.2773-0.5279 ( 4239 PWs) bands (ev): -20.1767 -20.1767 -18.3496 -18.3496 -18.3442 -18.3442 -15.3671 -15.3671 -15.3575 -15.3575 -15.3539 -15.3539 -6.4317 -6.4317 -5.6393 -5.6393 -4.8074 -4.8074 -4.1004 -4.1004 -3.8447 -3.8447 -3.0764 -3.0764 2.7564 2.7564 3.2772 3.2772 4.0271 4.0271 4.4836 4.4836 4.6827 4.6827 5.3081 5.3081 7.4535 7.4535 8.8247 8.8247 9.3359 9.3359 11.1253 11.1253 k = 0.1641-0.2889-0.5499 ( 4245 PWs) bands (ev): -20.1754 -20.1754 -18.3495 -18.3495 -18.3442 -18.3442 -15.3670 -15.3670 -15.3574 -15.3574 -15.3539 -15.3539 -6.3936 -6.3936 -5.6198 -5.6198 -4.8145 -4.8145 -4.1102 -4.1102 -3.8545 -3.8545 -3.1170 -3.1170 2.7107 2.7107 3.2354 3.2354 3.9871 3.9871 4.4453 4.4453 4.6667 4.6667 5.2967 5.2967 7.4996 7.4996 8.8666 8.8666 9.3760 9.3760 11.1577 11.1577 k = 0.1706-0.3005-0.5719 ( 4249 PWs) bands (ev): -20.1742 -20.1742 -18.3493 -18.3493 -18.3442 -18.3442 -15.3668 -15.3668 -15.3573 -15.3573 -15.3539 -15.3539 -6.3548 -6.3548 -5.6004 -5.6004 -4.8210 -4.8210 -4.1195 -4.1195 -3.8644 -3.8644 -3.1593 -3.1593 2.6664 2.6664 3.1960 3.1960 3.9461 3.9461 4.4077 4.4077 4.6513 4.6513 5.2859 5.2859 7.5444 7.5444 8.9082 8.9082 9.4152 9.4152 11.1881 11.1881 k = 0.1772-0.3120-0.5939 ( 4243 PWs) bands (ev): -20.1729 -20.1729 -18.3492 -18.3492 -18.3442 -18.3442 -15.3666 -15.3666 -15.3572 -15.3572 -15.3539 -15.3539 -6.3153 -6.3153 -5.5814 -5.5814 -4.8270 -4.8270 -4.1283 -4.1283 -3.8744 -3.8744 -3.2030 -3.2030 2.6237 2.6237 3.1587 3.1587 3.9040 3.9040 4.3716 4.3716 4.6365 4.6365 5.2754 5.2754 7.5877 7.5877 8.9489 8.9489 9.4533 9.4533 11.2164 11.2164 k = 0.1838-0.3236-0.6159 ( 4247 PWs) bands (ev): -20.1717 -20.1717 -18.3490 -18.3490 -18.3442 -18.3442 -15.3665 -15.3665 -15.3571 -15.3571 -15.3538 -15.3538 -6.2753 -6.2753 -5.5628 -5.5628 -4.8323 -4.8323 -4.1364 -4.1364 -3.8845 -3.8845 -3.2480 -3.2480 2.5824 2.5824 3.1234 3.1234 3.8610 3.8610 4.3377 4.3377 4.6226 4.6226 5.2655 5.2655 7.6291 7.6291 8.9886 8.9886 9.4901 9.4901 11.2425 11.2425 k = 0.1903-0.3351-0.6379 ( 4237 PWs) bands (ev): -20.1706 -20.1706 -18.3489 -18.3489 -18.3442 -18.3442 -15.3663 -15.3663 -15.3571 -15.3571 -15.3537 -15.3537 -6.2350 -6.2350 -5.5448 -5.5448 -4.8370 -4.8370 -4.1438 -4.1438 -3.8945 -3.8945 -3.2942 -3.2942 2.5427 2.5427 3.0896 3.0896 3.8170 3.8170 4.3066 4.3066 4.6096 4.6096 5.2559 5.2559 7.6687 7.6687 9.0267 9.0267 9.5252 9.5252 11.2658 11.2658 k = 0.1969-0.3467-0.6598 ( 4235 PWs) bands (ev): -20.1694 -20.1694 -18.3487 -18.3487 -18.3442 -18.3442 -15.3662 -15.3662 -15.3571 -15.3571 -15.3537 -15.3537 -6.1944 -6.1944 -5.5275 -5.5275 -4.8408 -4.8408 -4.1504 -4.1504 -3.9045 -3.9045 -3.3413 -3.3413 2.5046 2.5046 3.0573 3.0573 3.7722 3.7722 4.2791 4.2791 4.5975 4.5975 5.2467 5.2467 7.7061 7.7061 9.0631 9.0631 9.5585 9.5585 11.2837 11.2837 k = 0.2034-0.3582-0.6818 ( 4235 PWs) bands (ev): -20.1683 -20.1683 -18.3486 -18.3486 -18.3442 -18.3442 -15.3660 -15.3660 -15.3571 -15.3571 -15.3536 -15.3536 -6.1537 -6.1537 -5.5111 -5.5111 -4.8438 -4.8438 -4.1560 -4.1560 -3.9145 -3.9145 -3.3892 -3.3892 2.4682 2.4682 3.0263 3.0263 3.7265 3.7265 4.2556 4.2556 4.5865 4.5865 5.2378 5.2378 7.7413 7.7413 9.0974 9.0974 9.5898 9.5898 11.2890 11.2890 k = 0.2100-0.3698-0.7038 ( 4233 PWs) bands (ev): -20.1672 -20.1672 -18.3485 -18.3485 -18.3442 -18.3442 -15.3658 -15.3658 -15.3570 -15.3570 -15.3536 -15.3536 -6.1130 -6.1130 -5.4958 -5.4958 -4.8459 -4.8459 -4.1607 -4.1607 -3.9243 -3.9243 -3.4377 -3.4377 2.4335 2.4335 2.9962 2.9962 3.6801 3.6801 4.2365 4.2365 4.5766 4.5766 5.2291 5.2291 7.7741 7.7741 9.1293 9.1293 9.6189 9.6189 11.2835 11.2835 k = 0.2166-0.3814-0.7258 ( 4237 PWs) bands (ev): -20.1662 -20.1662 -18.3483 -18.3483 -18.3442 -18.3442 -15.3656 -15.3656 -15.3570 -15.3570 -15.3536 -15.3536 -6.0726 -6.0726 -5.4817 -5.4817 -4.8471 -4.8471 -4.1642 -4.1642 -3.9339 -3.9339 -3.4866 -3.4866 2.4006 2.4006 2.9671 2.9671 3.6330 3.6330 4.2220 4.2220 4.5679 4.5679 5.2208 5.2208 7.8044 7.8044 9.1585 9.1585 9.6458 9.6458 11.2754 11.2754 k = 0.2231-0.3929-0.7478 ( 4237 PWs) bands (ev): -20.1652 -20.1652 -18.3482 -18.3482 -18.3442 -18.3442 -15.3654 -15.3654 -15.3571 -15.3571 -15.3535 -15.3535 -6.0325 -6.0325 -5.4689 -5.4689 -4.8473 -4.8473 -4.1666 -4.1666 -3.9434 -3.9434 -3.5357 -3.5357 2.3695 2.3695 2.9390 2.9390 3.5854 3.5854 4.2122 4.2122 4.5603 4.5603 5.2127 5.2127 7.8323 7.8323 9.1847 9.1847 9.6702 9.6702 11.2681 11.2681 k = 0.2297-0.4045-0.7698 ( 4227 PWs) bands (ev): -20.1643 -20.1643 -18.3481 -18.3481 -18.3442 -18.3442 -15.3652 -15.3652 -15.3571 -15.3571 -15.3536 -15.3536 -5.9929 -5.9929 -5.4576 -5.4576 -4.8464 -4.8464 -4.1677 -4.1677 -3.9526 -3.9526 -3.5848 -3.5848 2.3403 2.3403 2.9118 2.9118 3.5374 3.5374 4.2071 4.2071 4.5539 4.5539 5.2049 5.2049 7.8574 7.8574 9.2079 9.2079 9.6922 9.6922 11.2626 11.2626 k = 0.2363-0.4160-0.7918 ( 4225 PWs) bands (ev): -20.1634 -20.1634 -18.3479 -18.3479 -18.3442 -18.3442 -15.3649 -15.3649 -15.3571 -15.3571 -15.3536 -15.3536 -5.9539 -5.9539 -5.4480 -5.4480 -4.8446 -4.8446 -4.1674 -4.1674 -3.9616 -3.9616 -3.6336 -3.6336 2.3129 2.3129 2.8857 2.8857 3.4892 3.4892 4.2065 4.2065 4.5487 4.5487 5.1975 5.1975 7.8799 7.8799 9.2278 9.2278 9.7116 9.7116 11.2596 11.2596 k = 0.2428-0.4276-0.8138 ( 4217 PWs) bands (ev): -20.1626 -20.1626 -18.3478 -18.3478 -18.3442 -18.3442 -15.3647 -15.3647 -15.3571 -15.3571 -15.3537 -15.3537 -5.9158 -5.9158 -5.4401 -5.4401 -4.8417 -4.8417 -4.1658 -4.1658 -3.9702 -3.9702 -3.6820 -3.6820 2.2875 2.2875 2.8608 2.8608 3.4410 3.4410 4.2102 4.2102 4.5448 4.5448 5.1904 5.1904 7.8996 7.8996 9.2444 9.2444 9.7284 9.7284 11.2596 11.2596 k = 0.2494-0.4391-0.8358 ( 4219 PWs) bands (ev): -20.1618 -20.1618 -18.3477 -18.3477 -18.3442 -18.3442 -15.3644 -15.3644 -15.3572 -15.3572 -15.3537 -15.3537 -5.8786 -5.8786 -5.4341 -5.4341 -4.8379 -4.8379 -4.1627 -4.1627 -3.9786 -3.9786 -3.7296 -3.7296 2.2640 2.2640 2.8373 2.8373 3.3929 3.3929 4.2177 4.2177 4.5421 4.5421 5.1838 5.1838 7.9166 7.9166 9.2575 9.2575 9.7426 9.7426 11.2628 11.2628 k = 0.2560-0.4507-0.8578 ( 4227 PWs) bands (ev): -20.1611 -20.1611 -18.3476 -18.3476 -18.3442 -18.3442 -15.3641 -15.3641 -15.3572 -15.3572 -15.3539 -15.3539 -5.8426 -5.8426 -5.4299 -5.4299 -4.8333 -4.8333 -4.1581 -4.1581 -3.9865 -3.9865 -3.7763 -3.7763 2.2423 2.2423 2.8156 2.8156 3.3451 3.3451 4.2287 4.2287 4.5405 4.5405 5.1779 5.1779 7.9306 7.9306 9.2673 9.2673 9.7542 9.7542 11.2695 11.2695 k = 0.2625-0.4622-0.8798 ( 4219 PWs) bands (ev): -20.1605 -20.1605 -18.3475 -18.3475 -18.3442 -18.3442 -15.3638 -15.3638 -15.3572 -15.3572 -15.3540 -15.3540 -5.8078 -5.8078 -5.4276 -5.4276 -4.8279 -4.8279 -4.1521 -4.1521 -3.9940 -3.9940 -3.8218 -3.8218 2.2226 2.2226 2.7958 2.7958 3.2978 3.2978 4.2426 4.2426 4.5402 4.5402 5.1727 5.1727 7.9419 7.9419 9.2737 9.2737 9.7634 9.7634 11.2801 11.2801 k = 0.2691-0.4738-0.9018 ( 4213 PWs) bands (ev): -20.1599 -20.1599 -18.3474 -18.3474 -18.3443 -18.3443 -15.3634 -15.3634 -15.3573 -15.3573 -15.3542 -15.3542 -5.7744 -5.7744 -5.4272 -5.4272 -4.8219 -4.8219 -4.1446 -4.1446 -4.0012 -4.0012 -3.8657 -3.8657 2.2048 2.2048 2.7781 2.7781 3.2513 3.2513 4.2589 4.2589 4.5409 4.5409 5.1684 5.1684 7.9503 7.9503 9.2769 9.2769 9.7701 9.7701 11.2946 11.2946 k = 0.2756-0.4854-0.9238 ( 4210 PWs) bands (ev): -20.1594 -20.1594 -18.3473 -18.3473 -18.3443 -18.3443 -15.3630 -15.3630 -15.3574 -15.3574 -15.3544 -15.3544 -5.7426 -5.7426 -5.4287 -5.4287 -4.8156 -4.8156 -4.1357 -4.1357 -4.0080 -4.0080 -3.9077 -3.9077 2.1889 2.1889 2.7628 2.7628 3.2057 3.2057 4.2769 4.2769 4.5428 4.5428 5.1651 5.1651 7.9559 7.9559 9.2770 9.2770 9.7745 9.7745 11.3133 11.3133 k = 0.2822-0.4969-0.9458 ( 4222 PWs) bands (ev): -20.1589 -20.1589 -18.3472 -18.3472 -18.3443 -18.3443 -15.3627 -15.3627 -15.3575 -15.3575 -15.3546 -15.3546 -5.7125 -5.7125 -5.4318 -5.4318 -4.8092 -4.8092 -4.1255 -4.1255 -4.0147 -4.0147 -3.9472 -3.9472 2.1749 2.1749 2.7501 2.7501 3.1613 3.1613 4.2961 4.2961 4.5456 4.5456 5.1631 5.1631 7.9587 7.9587 9.2742 9.2742 9.7768 9.7768 11.3361 11.3361 k = 0.2888-0.5085-0.9678 ( 4224 PWs) bands (ev): -20.1585 -20.1585 -18.3471 -18.3471 -18.3444 -18.3444 -15.3623 -15.3623 -15.3576 -15.3576 -15.3548 -15.3548 -5.6842 -5.6842 -5.4364 -5.4364 -4.8029 -4.8029 -4.1140 -4.1140 -4.0222 -4.0222 -3.9830 -3.9830 2.1626 2.1626 2.7400 2.7400 3.1184 3.1184 4.3159 4.3159 4.5495 4.5495 5.1624 5.1624 7.9589 7.9589 9.2687 9.2687 9.7770 9.7770 11.3630 11.3630 k = 0.2953-0.5200-0.9898 ( 4222 PWs) bands (ev): -20.1582 -20.1582 -18.3471 -18.3471 -18.3444 -18.3444 -15.3618 -15.3618 -15.3577 -15.3577 -15.3550 -15.3550 -5.6580 -5.6580 -5.4423 -5.4423 -4.7972 -4.7972 -4.1015 -4.1015 -4.0359 -4.0359 -4.0093 -4.0093 2.1522 2.1522 2.7326 2.7326 3.0773 3.0773 4.3355 4.3355 4.5542 4.5542 5.1633 5.1633 7.9565 7.9565 9.2608 9.2608 9.7753 9.7753 11.3942 11.3942 k = 0.3019-0.5316-1.0118 ( 4218 PWs) bands (ev): -20.1579 -20.1579 -18.3470 -18.3470 -18.3444 -18.3444 -15.3614 -15.3614 -15.3579 -15.3579 -15.3552 -15.3552 -5.6341 -5.6341 -5.4492 -5.4492 -4.7922 -4.7922 -4.0882 -4.0882 -4.0614 -4.0614 -4.0199 -4.0199 2.1436 2.1436 2.7279 2.7279 3.0384 3.0384 4.3546 4.3546 4.5598 4.5598 5.1658 5.1658 7.9518 7.9518 9.2507 9.2507 9.7720 9.7720 11.4294 11.4294 k = 0.3085-0.5431-1.0338 ( 4224 PWs) bands (ev): -20.1577 -20.1577 -18.3470 -18.3470 -18.3444 -18.3444 -15.3610 -15.3610 -15.3581 -15.3581 -15.3554 -15.3554 -5.6129 -5.6129 -5.4566 -5.4566 -4.7883 -4.7883 -4.0892 -4.0892 -4.0746 -4.0746 -4.0238 -4.0238 2.1367 2.1367 2.7255 2.7255 3.0023 3.0023 4.3724 4.3724 4.5661 4.5661 5.1699 5.1699 7.9448 7.9448 9.2388 9.2388 9.7671 9.7671 11.4685 11.4685 k = 0.3150-0.5547-1.0558 ( 4222 PWs) bands (ev): -20.1575 -20.1575 -18.3469 -18.3469 -18.3445 -18.3445 -15.3605 -15.3605 -15.3583 -15.3583 -15.3556 -15.3556 -5.5950 -5.5950 -5.4638 -5.4638 -4.7856 -4.7856 -4.1148 -4.1148 -4.0619 -4.0619 -4.0243 -4.0243 2.1315 2.1315 2.7252 2.7252 2.9697 2.9697 4.3886 4.3886 4.5730 4.5730 5.1755 5.1755 7.9359 7.9359 9.2252 9.2252 9.7610 9.7610 11.5110 11.5110 k = 0.3216-0.5663-1.0778 ( 4226 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3601 -15.3601 -15.3585 -15.3585 -15.3557 -15.3557 -5.5811 -5.5811 -5.4699 -5.4699 -4.7844 -4.7844 -4.1374 -4.1374 -4.0523 -4.0523 -4.0198 -4.0198 2.1278 2.1278 2.7261 2.7261 2.9416 2.9416 4.4029 4.4029 4.5806 4.5806 5.1825 5.1825 7.9253 7.9253 9.2103 9.2103 9.7538 9.7538 11.5285 11.5285 k = 0.3281-0.5778-1.0997 ( 4228 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3598 -15.3598 -15.3588 -15.3588 -15.3558 -15.3558 -5.5725 -5.5725 -5.4738 -5.4738 -4.7847 -4.7847 -4.1566 -4.1566 -4.0475 -4.0475 -4.0092 -4.0092 2.1254 2.1254 2.7273 2.7273 2.9194 2.9194 4.4150 4.4150 4.5887 4.5887 5.1905 5.1905 7.9132 7.9132 9.1943 9.1943 9.7458 9.7458 11.4897 11.4897 k = 0.3347-0.5894-1.1217 ( 4232 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3596 -15.3596 -15.3589 -15.3589 -15.3558 -15.3558 -5.5699 -5.5699 -5.4743 -5.4743 -4.7864 -4.7864 -4.1725 -4.1725 -4.0456 -4.0456 -3.9946 -3.9946 2.1243 2.1243 2.7274 2.7274 2.9046 2.9046 4.4247 4.4247 4.5972 4.5972 5.1991 5.1991 7.9001 7.9001 9.1775 9.1775 9.7370 9.7370 11.4368 11.4368 k = 0.3413-0.6009-1.1437 ( 4224 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3599 -15.3599 -15.3587 -15.3587 -15.3558 -15.3558 -5.5732 -5.5732 -5.4717 -5.4717 -4.7895 -4.7895 -4.1850 -4.1850 -4.0447 -4.0447 -3.9782 -3.9782 2.1240 2.1240 2.7255 2.7255 2.8986 2.8986 4.4321 4.4321 4.6060 4.6060 5.2077 5.2077 7.8861 7.8861 9.1602 9.1602 9.7278 9.7278 11.3712 11.3712 k = 0.6587-0.4689-1.0639 ( 4224 PWs) bands (ev): -20.1574 -20.1574 -18.3469 -18.3469 -18.3445 -18.3445 -15.3599 -15.3599 -15.3587 -15.3587 -15.3558 -15.3558 -5.5732 -5.5732 -5.4717 -5.4717 -4.7895 -4.7895 -4.1850 -4.1850 -4.0447 -4.0447 -3.9782 -3.9782 2.1240 2.1240 2.7255 2.7255 2.8986 2.8986 4.4321 4.4321 4.6060 4.6060 5.2077 5.2077 7.8861 7.8861 9.1602 9.1602 9.7278 9.7278 11.3712 11.3712 k = 0.6521-0.4438-1.0639 ( 4232 PWs) bands (ev): -20.1575 -20.1575 -18.3469 -18.3469 -18.3445 -18.3445 -15.3603 -15.3603 -15.3585 -15.3585 -15.3556 -15.3556 -5.5809 -5.5809 -5.4673 -5.4673 -4.7937 -4.7937 -4.1944 -4.1944 -4.0437 -4.0437 -3.9611 -3.9611 2.1243 2.1243 2.7216 2.7216 2.9018 2.9018 4.4372 4.4372 4.6152 4.6152 5.2157 5.2157 7.8717 7.8717 9.1424 9.1424 9.7183 9.7183 11.2934 11.2934 k = 0.6455-0.4188-1.0639 ( 4232 PWs) bands (ev): -20.1576 -20.1576 -18.3469 -18.3469 -18.3444 -18.3444 -15.3608 -15.3608 -15.3583 -15.3583 -15.3554 -15.3554 -5.5916 -5.5916 -5.4624 -5.4624 -4.7986 -4.7986 -4.2008 -4.2008 -4.0425 -4.0425 -3.9438 -3.9438 2.1246 2.1246 2.7169 2.7169 2.9134 2.9134 4.4401 4.4401 4.6246 4.6246 5.2222 5.2222 7.8571 7.8571 9.1245 9.1245 9.7087 9.7087 11.2056 11.2056 k = 0.6389-0.3937-1.0639 ( 4230 PWs) bands (ev): -20.1577 -20.1577 -18.3470 -18.3470 -18.3444 -18.3444 -15.3612 -15.3612 -15.3581 -15.3581 -15.3551 -15.3551 -5.6041 -5.6041 -5.4580 -5.4580 -4.8041 -4.8041 -4.2046 -4.2046 -4.0409 -4.0409 -3.9268 -3.9268 2.1247 2.1247 2.7135 2.7135 2.9318 2.9318 4.4411 4.4411 4.6340 4.6340 5.2265 5.2265 7.8428 7.8428 9.1068 9.1068 9.6992 9.6992 11.1100 11.1100 k = 0.6323-0.3687-1.0639 ( 4224 PWs) bands (ev): -20.1579 -20.1579 -18.3470 -18.3470 -18.3444 -18.3444 -15.3617 -15.3617 -15.3580 -15.3580 -15.3547 -15.3547 -5.6176 -5.6176 -5.4548 -5.4548 -4.8097 -4.8097 -4.2061 -4.2061 -4.0388 -4.0388 -3.9102 -3.9102 2.1239 2.1239 2.7130 2.7130 2.9556 2.9556 4.4404 4.4404 4.6436 4.6436 5.2277 5.2277 7.8289 7.8289 9.0896 9.0896 9.6901 9.6901 11.0088 11.0088 k = 0.6257-0.3437-1.0639 ( 4210 PWs) bands (ev): -20.1581 -20.1581 -18.3471 -18.3471 -18.3443 -18.3443 -15.3623 -15.3623 -15.3580 -15.3580 -15.3542 -15.3542 -5.6317 -5.6317 -5.4531 -5.4531 -4.8151 -4.8151 -4.2055 -4.2055 -4.0362 -4.0362 -3.8944 -3.8944 2.1218 2.1218 2.7168 2.7168 2.9837 2.9837 4.4382 4.4382 4.6530 4.6530 5.2253 5.2253 7.8157 7.8157 9.0731 9.0731 9.6817 9.6817 10.9041 10.9041 k = 0.6190-0.3186-1.0639 ( 4210 PWs) bands (ev): -20.1583 -20.1583 -18.3472 -18.3472 -18.3443 -18.3443 -15.3628 -15.3628 -15.3580 -15.3580 -15.3538 -15.3538 -5.6460 -5.6460 -5.4528 -5.4528 -4.8202 -4.8202 -4.2033 -4.2033 -4.0332 -4.0332 -3.8794 -3.8794 2.1182 2.1182 2.7258 2.7258 3.0152 3.0152 4.4347 4.4347 4.6624 4.6624 5.2185 5.2185 7.8032 7.8032 9.0576 9.0576 9.6740 9.6740 10.7976 10.7976 k = 0.6124-0.2936-1.0639 ( 4214 PWs) bands (ev): -20.1585 -20.1585 -18.3473 -18.3473 -18.3442 -18.3442 -15.3633 -15.3633 -15.3580 -15.3580 -15.3533 -15.3533 -5.6604 -5.6604 -5.4541 -5.4541 -4.8247 -4.8247 -4.1996 -4.1996 -4.0298 -4.0298 -3.8654 -3.8654 2.1130 2.1130 2.7404 2.7404 3.0496 3.0496 4.4303 4.4303 4.6715 4.6715 5.2069 5.2069 7.7916 7.7916 9.0433 9.0433 9.6672 9.6672 10.6909 10.6909 k = 0.6058-0.2685-1.0639 ( 4218 PWs) bands (ev): -20.1588 -20.1588 -18.3474 -18.3474 -18.3442 -18.3442 -15.3638 -15.3638 -15.3580 -15.3580 -15.3528 -15.3528 -5.6745 -5.6745 -5.4568 -5.4568 -4.8287 -4.8287 -4.1947 -4.1947 -4.0259 -4.0259 -3.8527 -3.8527 2.1061 2.1061 2.7607 2.7607 3.0864 3.0864 4.4252 4.4252 4.6804 4.6804 5.1899 5.1899 7.7808 7.7808 9.0305 9.0305 9.6617 9.6617 10.5855 10.5855 k = 0.5992-0.2435-1.0639 ( 4222 PWs) bands (ev): -20.1591 -20.1591 -18.3475 -18.3475 -18.3441 -18.3441 -15.3643 -15.3643 -15.3581 -15.3581 -15.3523 -15.3523 -5.6883 -5.6883 -5.4608 -5.4608 -4.8319 -4.8319 -4.1889 -4.1889 -4.0216 -4.0216 -3.8412 -3.8412 2.0977 2.0977 2.7864 2.7864 3.1251 3.1251 4.4195 4.4195 4.6890 4.6890 5.1675 5.1675 7.7706 7.7706 9.0194 9.0194 9.6574 9.6574 10.4824 10.4824 k = 0.5926-0.2185-1.0639 ( 4224 PWs) bands (ev): -20.1593 -20.1593 -18.3475 -18.3475 -18.3441 -18.3441 -15.3648 -15.3648 -15.3581 -15.3581 -15.3518 -15.3518 -5.7016 -5.7016 -5.4657 -5.4657 -4.8345 -4.8345 -4.1825 -4.1825 -4.0170 -4.0170 -3.8310 -3.8310 2.0882 2.0882 2.8170 2.8170 3.1655 3.1655 4.4134 4.4134 4.6971 4.6971 5.1395 5.1395 7.7609 7.7609 9.0102 9.0102 9.6546 9.6546 10.3827 10.3827 k = 0.5860-0.1934-1.0639 ( 4226 PWs) bands (ev): -20.1596 -20.1596 -18.3476 -18.3476 -18.3440 -18.3440 -15.3653 -15.3653 -15.3581 -15.3581 -15.3514 -15.3514 -5.7144 -5.7144 -5.4715 -5.4715 -4.8364 -4.8364 -4.1756 -4.1756 -4.0119 -4.0119 -3.8222 -3.8222 2.0778 2.0778 2.8519 2.8519 3.2073 3.2073 4.4072 4.4072 4.7049 4.7049 5.1061 5.1061 7.7514 7.7514 9.0030 9.0030 9.6533 9.6533 10.2873 10.2873 k = 0.5794-0.1684-1.0639 ( 4228 PWs) bands (ev): -20.1599 -20.1599 -18.3477 -18.3477 -18.3440 -18.3440 -15.3657 -15.3657 -15.3582 -15.3582 -15.3509 -15.3509 -5.7266 -5.7266 -5.4779 -5.4779 -4.8378 -4.8378 -4.1684 -4.1684 -4.0064 -4.0064 -3.8149 -3.8149 2.0669 2.0669 2.8904 2.8904 3.2502 3.2502 4.4009 4.4009 4.7121 4.7121 5.0675 5.0675 7.7419 7.7419 8.9978 8.9978 9.6536 9.6536 10.1968 10.1968 k = 0.5728-0.1434-1.0639 ( 4228 PWs) bands (ev): -20.1601 -20.1601 -18.3478 -18.3478 -18.3439 -18.3439 -15.3662 -15.3662 -15.3582 -15.3582 -15.3505 -15.3505 -5.7380 -5.7380 -5.4847 -5.4847 -4.8387 -4.8387 -4.1611 -4.1611 -4.0006 -4.0006 -3.8089 -3.8089 2.0558 2.0558 2.9314 2.9314 3.2940 3.2940 4.3947 4.3947 4.7189 4.7189 5.0242 5.0242 7.7323 7.7323 8.9946 8.9946 9.6553 9.6553 10.1121 10.1121 k = 0.5661-0.1183-1.0639 ( 4230 PWs) bands (ev): -20.1604 -20.1604 -18.3479 -18.3479 -18.3439 -18.3439 -15.3666 -15.3666 -15.3582 -15.3582 -15.3501 -15.3501 -5.7487 -5.7487 -5.4915 -5.4915 -4.8393 -4.8393 -4.1540 -4.1540 -3.9944 -3.9944 -3.8043 -3.8043 2.0449 2.0449 2.9741 2.9741 3.3387 3.3387 4.3886 4.3886 4.7251 4.7251 4.9767 4.9767 7.7225 7.7225 8.9932 8.9932 9.6583 9.6583 10.0336 10.0336 k = 0.5595-0.0933-1.0639 ( 4234 PWs) bands (ev): -20.1606 -20.1606 -18.3480 -18.3480 -18.3438 -18.3438 -15.3669 -15.3669 -15.3583 -15.3583 -15.3498 -15.3498 -5.7585 -5.7585 -5.4984 -5.4984 -4.8395 -4.8395 -4.1471 -4.1471 -3.9880 -3.9880 -3.8010 -3.8010 2.0343 2.0343 3.0172 3.0172 3.3840 3.3840 4.3829 4.3829 4.7307 4.7307 4.9258 4.9258 7.7125 7.7125 8.9934 8.9934 9.6623 9.6623 9.9622 9.9622 k = 0.5529-0.0682-1.0639 ( 4226 PWs) bands (ev): -20.1608 -20.1608 -18.3481 -18.3481 -18.3438 -18.3438 -15.3673 -15.3673 -15.3583 -15.3583 -15.3494 -15.3494 -5.7674 -5.7674 -5.5049 -5.5049 -4.8396 -4.8396 -4.1407 -4.1407 -3.9813 -3.9813 -3.7990 -3.7990 2.0244 2.0244 3.0597 3.0597 3.4297 3.4297 4.3775 4.3775 4.7356 4.7356 4.8724 4.8724 7.7024 7.7024 8.9948 8.9948 9.6664 9.6664 9.8987 9.8987 k = 0.5463-0.0432-1.0639 ( 4226 PWs) bands (ev): -20.1610 -20.1610 -18.3481 -18.3481 -18.3437 -18.3437 -15.3676 -15.3676 -15.3583 -15.3583 -15.3491 -15.3491 -5.7754 -5.7754 -5.5111 -5.5111 -4.8395 -4.8395 -4.1348 -4.1348 -3.9745 -3.9745 -3.7979 -3.7979 2.0153 2.0153 3.1003 3.1003 3.4755 3.4755 4.3726 4.3726 4.7398 4.7398 4.8179 4.8179 7.6924 7.6924 8.9972 8.9972 9.6695 9.6695 9.8442 9.8442 k = 0.5397-0.0182-1.0639 ( 4232 PWs) bands (ev): -20.1612 -20.1612 -18.3482 -18.3482 -18.3437 -18.3437 -15.3679 -15.3679 -15.3583 -15.3583 -15.3489 -15.3489 -5.7823 -5.7823 -5.5167 -5.5167 -4.8393 -4.8393 -4.1296 -4.1296 -3.9679 -3.9679 -3.7978 -3.7978 2.0071 2.0071 3.1379 3.1379 3.5209 3.5209 4.3681 4.3681 4.7414 4.7414 4.7653 4.7653 7.6828 7.6828 9.0000 9.0000 9.6694 9.6694 9.8009 9.8009 k = 0.5331 0.0069-1.0639 ( 4228 PWs) bands (ev): -20.1614 -20.1614 -18.3482 -18.3482 -18.3437 -18.3437 -15.3681 -15.3681 -15.3584 -15.3584 -15.3486 -15.3486 -5.7883 -5.7883 -5.5217 -5.5217 -4.8390 -4.8390 -4.1251 -4.1251 -3.9615 -3.9615 -3.7984 -3.7984 1.9999 1.9999 3.1714 3.1714 3.5650 3.5650 4.3642 4.3642 4.7074 4.7074 4.7494 4.7494 7.6739 7.6739 9.0031 9.0031 9.6631 9.6631 9.7714 9.7714 k = 0.5265 0.0319-1.0639 ( 4224 PWs) bands (ev): -20.1615 -20.1615 -18.3483 -18.3483 -18.3436 -18.3436 -15.3683 -15.3683 -15.3584 -15.3584 -15.3485 -15.3485 -5.7932 -5.7932 -5.5259 -5.5259 -4.8388 -4.8388 -4.1214 -4.1214 -3.9556 -3.9556 -3.7994 -3.7994 1.9940 1.9940 3.1999 3.1999 3.6063 3.6063 4.3609 4.3609 4.6588 4.6588 4.7512 4.7512 7.6660 7.6660 9.0060 9.0060 9.6495 9.6495 9.7565 9.7565 k = 0.5198 0.0570-1.0639 ( 4222 PWs) bands (ev): -20.1616 -20.1616 -18.3483 -18.3483 -18.3436 -18.3436 -15.3684 -15.3684 -15.3584 -15.3584 -15.3483 -15.3483 -5.7970 -5.7970 -5.5292 -5.5292 -4.8386 -4.8386 -4.1185 -4.1185 -3.9507 -3.9507 -3.8007 -3.8007 1.9893 1.9893 3.2227 3.2227 3.6428 3.6428 4.3582 4.3582 4.6159 4.6159 4.7531 4.7531 7.6595 7.6595 9.0085 9.0085 9.6328 9.6328 9.7515 9.7515 k = 0.5132 0.0820-1.0639 ( 4218 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3685 -15.3685 -15.3584 -15.3584 -15.3482 -15.3482 -5.7998 -5.7998 -5.5316 -5.5316 -4.8384 -4.8384 -4.1165 -4.1165 -3.9468 -3.9468 -3.8018 -3.8018 1.9859 1.9859 3.2393 3.2393 3.6720 3.6720 4.3561 4.3561 4.5820 4.5820 4.7545 4.7545 7.6547 7.6547 9.0105 9.0105 9.6183 9.6183 9.7509 9.7509 k = 0.5066 0.1070-1.0639 ( 4212 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8015 -5.8015 -5.5331 -5.5331 -4.8383 -4.8383 -4.1152 -4.1152 -3.9444 -3.9444 -3.8026 -3.8026 1.9838 1.9838 3.2493 3.2493 3.6910 3.6910 4.3549 4.3549 4.5601 4.5601 4.7553 4.7553 7.6517 7.6517 9.0117 9.0117 9.6087 9.6087 9.7515 9.7515 k = 0.5000 0.1321-1.0639 ( 4206 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8020 -5.8020 -5.5336 -5.5336 -4.8382 -4.8382 -4.1148 -4.1148 -3.9435 -3.9435 -3.8029 -3.8029 1.9832 1.9832 3.2527 3.2527 3.6976 3.6976 4.3544 4.3544 4.5525 4.5525 4.7556 4.7556 7.6507 7.6507 9.0121 9.0121 9.6054 9.6054 9.7519 9.7519 k = 0.5000 0.1321-1.0639 ( 4206 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8020 -5.8020 -5.5336 -5.5336 -4.8382 -4.8382 -4.1148 -4.1148 -3.9435 -3.9435 -3.8029 -3.8029 1.9832 1.9832 3.2527 3.2527 3.6976 3.6976 4.3544 4.3544 4.5525 4.5525 4.7556 4.7556 7.6507 7.6507 9.0121 9.0121 9.6054 9.6054 9.7519 9.7519 k = 0.5227 0.1381-1.0525 ( 4215 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8014 -5.8014 -5.5348 -5.5348 -4.8379 -4.8379 -4.1146 -4.1146 -3.9449 -3.9449 -3.8011 -3.8011 1.9818 1.9818 3.2515 3.2515 3.6966 3.6966 4.3570 4.3570 4.5551 4.5551 4.7565 4.7565 7.6498 7.6498 9.0110 9.0110 9.6076 9.6076 9.7498 9.7498 k = 0.5454 0.1441-1.0411 ( 4220 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.7997 -5.7997 -5.5385 -5.5385 -4.8371 -4.8371 -4.1142 -4.1142 -3.9489 -3.9489 -3.7957 -3.7957 1.9779 1.9779 3.2480 3.2480 3.6935 3.6935 4.3647 4.3647 4.5627 4.5627 4.7591 4.7591 7.6471 7.6471 9.0078 9.0078 9.6140 9.6140 9.7438 9.7438 k = 0.5680 0.1500-1.0297 ( 4224 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.7969 -5.7969 -5.5445 -5.5445 -4.8357 -4.8357 -4.1135 -4.1135 -3.9549 -3.9549 -3.7875 -3.7875 1.9716 1.9716 3.2423 3.2423 3.6885 3.6885 4.3771 4.3771 4.5752 4.5752 4.7633 4.7633 7.6427 7.6427 9.0025 9.0025 9.6247 9.6247 9.7340 9.7340 k = 0.5907 0.1560-1.0183 ( 4230 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.7929 -5.7929 -5.5527 -5.5527 -4.8338 -4.8338 -4.1125 -4.1125 -3.9622 -3.9622 -3.7770 -3.7770 1.9632 1.9632 3.2346 3.2346 3.6819 3.6819 4.3935 4.3935 4.5922 4.5922 4.7691 4.7691 7.6366 7.6366 8.9954 8.9954 9.6393 9.6393 9.7211 9.7211 k = 0.6134 0.1620-1.0069 ( 4228 PWs) bands (ev): -20.1618 -20.1618 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7879 -5.7879 -5.5629 -5.5629 -4.8317 -4.8317 -4.1114 -4.1114 -3.9704 -3.9704 -3.7647 -3.7647 1.9531 1.9531 3.2252 3.2252 3.6739 3.6739 4.4132 4.4132 4.6134 4.6134 4.7764 4.7764 7.6290 7.6290 8.9865 8.9865 9.6570 9.6570 9.7063 9.7063 k = 0.6361 0.1680-0.9955 ( 4232 PWs) bands (ev): -20.1619 -20.1619 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7820 -5.7820 -5.5747 -5.5747 -4.8294 -4.8294 -4.1103 -4.1103 -3.9790 -3.9790 -3.7512 -3.7512 1.9417 1.9417 3.2143 3.2143 3.6650 3.6650 4.4354 4.4354 4.6383 4.6383 4.7850 4.7850 7.6199 7.6199 8.9762 8.9762 9.6706 9.6706 9.6974 9.6974 k = 0.6587 0.1740-0.9841 ( 4240 PWs) bands (ev): -20.1619 -20.1619 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7754 -5.7754 -5.5879 -5.5879 -4.8270 -4.8270 -4.1093 -4.1093 -3.9877 -3.9877 -3.7367 -3.7367 1.9297 1.9297 3.2023 3.2023 3.6554 3.6554 4.4590 4.4590 4.6663 4.6663 4.7949 4.7949 7.6095 7.6095 8.9646 8.9646 9.6592 9.6592 9.7156 9.7156 k = 0.6587 0.1740-0.9841 ( 4240 PWs) bands (ev): -20.1619 -20.1619 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7754 -5.7754 -5.5879 -5.5879 -4.8270 -4.8270 -4.1093 -4.1093 -3.9877 -3.9877 -3.7367 -3.7367 1.9297 1.9297 3.2023 3.2023 3.6554 3.6554 4.4590 4.4590 4.6663 4.6663 4.7949 4.7949 7.6095 7.6095 8.9646 8.9646 9.6592 9.6592 9.7156 9.7156 k = 0.6550 0.1730-0.9588 ( 4236 PWs) bands (ev): -20.1622 -20.1622 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3483 -15.3483 -5.7715 -5.7715 -5.6154 -5.6154 -4.8193 -4.8193 -4.1029 -4.1029 -3.9673 -3.9673 -3.7451 -3.7451 1.9303 1.9303 3.2104 3.2104 3.6635 3.6635 4.4739 4.4739 4.6662 4.6662 4.7939 4.7939 7.6099 7.6099 8.9635 8.9635 9.6475 9.6475 9.7157 9.7157 k = 0.6512 0.1720-0.9335 ( 4230 PWs) bands (ev): -20.1625 -20.1625 -18.3484 -18.3484 -18.3436 -18.3436 -15.3685 -15.3685 -15.3584 -15.3584 -15.3484 -15.3484 -5.7779 -5.7779 -5.6362 -5.6362 -4.8121 -4.8121 -4.0971 -4.0971 -3.9493 -3.9493 -3.7456 -3.7456 1.9346 1.9346 3.2201 3.2201 3.6732 3.6732 4.4865 4.4865 4.6710 4.6710 4.7937 4.7937 7.6090 7.6090 8.9617 8.9617 9.6357 9.6357 9.7190 9.7190 k = 0.6474 0.1710-0.9081 ( 4226 PWs) bands (ev): -20.1629 -20.1629 -18.3484 -18.3484 -18.3437 -18.3437 -15.3685 -15.3685 -15.3584 -15.3584 -15.3486 -15.3486 -5.7976 -5.7976 -5.6471 -5.6471 -4.8055 -4.8055 -4.0917 -4.0917 -3.9365 -3.9365 -3.7361 -3.7361 1.9427 1.9427 3.2315 3.2315 3.6844 3.6844 4.4957 4.4957 4.6815 4.6815 4.7943 4.7943 7.6068 7.6068 8.9593 8.9593 9.6245 9.6245 9.7254 9.7254 k = 0.6436 0.1700-0.8828 ( 4239 PWs) bands (ev): -20.1634 -20.1634 -18.3485 -18.3485 -18.3437 -18.3437 -15.3684 -15.3684 -15.3584 -15.3584 -15.3487 -15.3487 -5.8288 -5.8288 -5.6491 -5.6491 -4.7996 -4.7996 -4.0863 -4.0863 -3.9303 -3.9303 -3.7157 -3.7157 1.9549 1.9549 3.2446 3.2446 3.6971 3.6971 4.5005 4.5005 4.6981 4.6981 4.7958 4.7958 7.6033 7.6033 8.9565 8.9565 9.6139 9.6139 9.7348 9.7348 k = 0.6398 0.1690-0.8575 ( 4237 PWs) bands (ev): -20.1640 -20.1640 -18.3485 -18.3485 -18.3437 -18.3437 -15.3683 -15.3683 -15.3584 -15.3584 -15.3489 -15.3489 -5.8675 -5.8675 -5.6460 -5.6460 -4.7944 -4.7944 -4.0810 -4.0810 -3.9299 -3.9299 -3.6857 -3.6857 1.9712 1.9712 3.2594 3.2594 3.7114 3.7114 4.5014 4.5014 4.7200 4.7200 4.7982 4.7982 7.5986 7.5986 8.9534 8.9534 9.6038 9.6038 9.7471 9.7471 k = 0.6361 0.1680-0.8321 ( 4224 PWs) bands (ev): -20.1646 -20.1646 -18.3485 -18.3485 -18.3437 -18.3437 -15.3682 -15.3682 -15.3584 -15.3584 -15.3492 -15.3492 -5.9107 -5.9107 -5.6405 -5.6405 -4.7900 -4.7900 -4.0755 -4.0755 -3.9334 -3.9334 -3.6486 -3.6486 1.9918 1.9918 3.2760 3.2760 3.7273 3.7273 4.4988 4.4988 4.7456 4.7456 4.8019 4.8019 7.5927 7.5927 8.9500 8.9500 9.5941 9.5941 9.7625 9.7625 k = 0.6323 0.1670-0.8068 ( 4229 PWs) bands (ev): -20.1653 -20.1653 -18.3486 -18.3486 -18.3438 -18.3438 -15.3681 -15.3681 -15.3584 -15.3584 -15.3494 -15.3494 -5.9564 -5.9564 -5.6341 -5.6341 -4.7864 -4.7864 -4.0700 -4.0700 -3.9390 -3.9390 -3.6064 -3.6064 2.0166 2.0166 3.2944 3.2944 3.7446 3.7446 4.4937 4.4937 4.7725 4.7725 4.8084 4.8084 7.5856 7.5856 8.9466 8.9466 9.5846 9.5846 9.7811 9.7811 k = 0.6285 0.1660-0.7815 ( 4230 PWs) bands (ev): -20.1661 -20.1661 -18.3487 -18.3487 -18.3438 -18.3438 -15.3681 -15.3681 -15.3584 -15.3584 -15.3497 -15.3497 -6.0037 -6.0037 -5.6274 -5.6274 -4.7836 -4.7836 -4.0645 -4.0645 -3.9456 -3.9456 -3.5608 -3.5608 2.0459 2.0459 3.3144 3.3144 3.7635 3.7635 4.4866 4.4866 4.7937 4.7937 4.8235 4.8235 7.5773 7.5773 8.9431 8.9431 9.5752 9.5752 9.8027 9.8027 k = 0.6247 0.1650-0.7561 ( 4230 PWs) bands (ev): -20.1670 -20.1670 -18.3487 -18.3487 -18.3439 -18.3439 -15.3680 -15.3680 -15.3583 -15.3583 -15.3500 -15.3500 -6.0518 -6.0518 -5.6207 -5.6207 -4.7816 -4.7816 -4.0589 -4.0589 -3.9525 -3.9525 -3.5127 -3.5127 2.0796 2.0796 3.3363 3.3363 3.7839 3.7839 4.4779 4.4779 4.8044 4.8044 4.8512 4.8512 7.5678 7.5678 8.9396 8.9396 9.5655 9.5655 9.8274 9.8274 k = 0.6209 0.1640-0.7308 ( 4234 PWs) bands (ev): -20.1679 -20.1679 -18.3488 -18.3488 -18.3439 -18.3439 -15.3679 -15.3679 -15.3583 -15.3583 -15.3503 -15.3503 -6.1005 -6.1005 -5.6144 -5.6144 -4.7803 -4.7803 -4.0533 -4.0533 -3.9593 -3.9593 -3.4630 -3.4630 2.1178 2.1178 3.3598 3.3598 3.8057 3.8057 4.4679 4.4679 4.8114 4.8114 4.8840 4.8840 7.5572 7.5572 8.9361 8.9361 9.5555 9.5555 9.8550 9.8550 k = 0.6172 0.1630-0.7055 ( 4238 PWs) bands (ev): -20.1689 -20.1689 -18.3489 -18.3489 -18.3439 -18.3439 -15.3678 -15.3678 -15.3583 -15.3583 -15.3507 -15.3507 -6.1492 -6.1492 -5.6085 -5.6085 -4.7797 -4.7797 -4.0478 -4.0478 -3.9656 -3.9656 -3.4121 -3.4121 2.1605 2.1605 3.3850 3.3850 3.8290 3.8290 4.4569 4.4569 4.8179 4.8179 4.9182 4.9182 7.5454 7.5454 8.9326 8.9326 9.5448 9.5448 9.8854 9.8854 k = 0.6134 0.1620-0.6802 ( 4241 PWs) bands (ev): -20.1699 -20.1699 -18.3490 -18.3490 -18.3440 -18.3440 -15.3677 -15.3677 -15.3583 -15.3583 -15.3510 -15.3510 -6.1978 -6.1978 -5.6030 -5.6030 -4.7796 -4.7796 -4.0425 -4.0425 -3.9715 -3.9715 -3.3604 -3.3604 2.2076 2.2076 3.4119 3.4119 3.8537 3.8537 4.4449 4.4449 4.8244 4.8244 4.9528 4.9528 7.5324 7.5324 8.9289 8.9289 9.5332 9.5332 9.9185 9.9185 k = 0.6096 0.1610-0.6548 ( 4241 PWs) bands (ev): -20.1710 -20.1710 -18.3491 -18.3491 -18.3440 -18.3440 -15.3677 -15.3677 -15.3582 -15.3582 -15.3513 -15.3513 -6.2460 -6.2460 -5.5980 -5.5980 -4.7801 -4.7801 -4.0373 -4.0373 -3.9767 -3.9767 -3.3083 -3.3083 2.2590 2.2590 3.4404 3.4404 3.8797 3.8797 4.4322 4.4322 4.8313 4.8313 4.9871 4.9871 7.5180 7.5180 8.9249 8.9249 9.5203 9.5203 9.9540 9.9540 k = 0.6058 0.1600-0.6295 ( 4245 PWs) bands (ev): -20.1721 -20.1721 -18.3492 -18.3492 -18.3440 -18.3440 -15.3676 -15.3676 -15.3582 -15.3582 -15.3516 -15.3516 -6.2936 -6.2936 -5.5934 -5.5934 -4.7811 -4.7811 -4.0325 -4.0325 -3.9811 -3.9811 -3.2562 -3.2562 2.3148 2.3148 3.4705 3.4705 3.9069 3.9069 4.4188 4.4188 4.8386 4.8386 5.0208 5.0208 7.5024 7.5024 8.9204 8.9204 9.5061 9.5061 9.9916 9.9916 k = 0.6020 0.1590-0.6042 ( 4242 PWs) bands (ev): -20.1733 -20.1733 -18.3493 -18.3493 -18.3441 -18.3441 -15.3676 -15.3676 -15.3582 -15.3582 -15.3519 -15.3519 -6.3404 -6.3404 -5.5894 -5.5894 -4.7824 -4.7824 -4.0281 -4.0281 -3.9846 -3.9846 -3.2041 -3.2041 2.3748 2.3748 3.5020 3.5020 3.9353 3.9353 4.4048 4.4048 4.8462 4.8462 5.0536 5.0536 7.4852 7.4852 8.9151 8.9151 9.4902 9.4902 10.0310 10.0310 k = 0.5983 0.1580-0.5788 ( 4239 PWs) bands (ev): -20.1744 -20.1744 -18.3494 -18.3494 -18.3441 -18.3441 -15.3676 -15.3676 -15.3582 -15.3582 -15.3522 -15.3522 -6.3864 -6.3864 -5.5858 -5.5858 -4.7840 -4.7840 -4.0245 -4.0245 -3.9870 -3.9870 -3.1524 -3.1524 2.4387 2.4387 3.5349 3.5349 3.9648 3.9648 4.3905 4.3905 4.8541 4.8541 5.0852 5.0852 7.4665 7.4665 8.9087 8.9087 9.4724 9.4724 10.0717 10.0717 k = 0.5945 0.1570-0.5535 ( 4238 PWs) bands (ev): -20.1756 -20.1756 -18.3496 -18.3496 -18.3441 -18.3441 -15.3676 -15.3676 -15.3581 -15.3581 -15.3525 -15.3525 -6.4314 -6.4314 -5.5828 -5.5828 -4.7858 -4.7858 -4.0219 -4.0219 -3.9881 -3.9881 -3.1013 -3.1013 2.5065 2.5065 3.5691 3.5691 3.9952 3.9952 4.3761 4.3761 4.8623 4.8623 5.1155 5.1155 7.4461 7.4461 8.9009 8.9009 9.4527 9.4527 10.1132 10.1132 k = 0.5907 0.1560-0.5282 ( 4241 PWs) bands (ev): -20.1769 -20.1769 -18.3497 -18.3497 -18.3442 -18.3442 -15.3677 -15.3677 -15.3581 -15.3581 -15.3527 -15.3527 -6.4753 -6.4753 -5.5802 -5.5802 -4.7878 -4.7878 -4.0205 -4.0205 -3.9876 -3.9876 -3.0509 -3.0509 2.5780 2.5780 3.6044 3.6044 4.0263 4.0263 4.3620 4.3620 4.8708 4.8708 5.1443 5.1443 7.4237 7.4237 8.8912 8.8912 9.4310 9.4310 10.1547 10.1547 k = 0.5869 0.1550-0.5028 ( 4241 PWs) bands (ev): -20.1781 -20.1781 -18.3499 -18.3499 -18.3442 -18.3442 -15.3677 -15.3677 -15.3581 -15.3581 -15.3529 -15.3529 -6.5180 -6.5180 -5.5781 -5.5781 -4.7900 -4.7900 -4.0204 -4.0204 -3.9856 -3.9856 -3.0013 -3.0013 2.6528 2.6528 3.6406 3.6406 4.0578 4.0578 4.3486 4.3486 4.8796 4.8796 5.1713 5.1713 7.3994 7.3994 8.8791 8.8791 9.4072 9.4072 10.1956 10.1956 k = 0.5831 0.1540-0.4775 ( 4242 PWs) bands (ev): -20.1794 -20.1794 -18.3500 -18.3500 -18.3442 -18.3442 -15.3678 -15.3678 -15.3582 -15.3582 -15.3531 -15.3531 -6.5593 -6.5593 -5.5764 -5.5764 -4.7922 -4.7922 -4.0212 -4.0212 -3.9824 -3.9824 -2.9528 -2.9528 2.7306 2.7306 3.6776 3.6776 4.0894 4.0894 4.3365 4.3365 4.8885 4.8885 5.1966 5.1966 7.3729 7.3729 8.8641 8.8641 9.3816 9.3816 10.2348 10.2348 k = 0.5794 0.1530-0.4522 ( 4242 PWs) bands (ev): -20.1806 -20.1806 -18.3501 -18.3501 -18.3442 -18.3442 -15.3679 -15.3679 -15.3582 -15.3582 -15.3532 -15.3532 -6.5993 -6.5993 -5.5752 -5.5752 -4.7944 -4.7944 -4.0225 -4.0225 -3.9785 -3.9785 -2.9055 -2.9055 2.8110 2.8110 3.7150 3.7150 4.1203 4.1203 4.3269 4.3269 4.8975 4.8975 5.2199 5.2199 7.3440 7.3440 8.8458 8.8458 9.3543 9.3543 10.2713 10.2713 k = 0.5756 0.1520-0.4268 ( 4242 PWs) bands (ev): -20.1818 -20.1818 -18.3503 -18.3503 -18.3442 -18.3442 -15.3681 -15.3681 -15.3583 -15.3583 -15.3533 -15.3533 -6.6378 -6.6378 -5.5743 -5.5743 -4.7966 -4.7966 -4.0242 -4.0242 -3.9740 -3.9740 -2.8595 -2.8595 2.8936 2.8936 3.7524 3.7524 4.1496 4.1496 4.3212 4.3212 4.9067 4.9067 5.2411 5.2411 7.3128 7.3128 8.8236 8.8236 9.3257 9.3257 10.3041 10.3041 k = 0.5718 0.1510-0.4015 ( 4244 PWs) bands (ev): -20.1831 -20.1831 -18.3504 -18.3504 -18.3442 -18.3442 -15.3682 -15.3682 -15.3583 -15.3583 -15.3533 -15.3533 -6.6747 -6.6747 -5.5739 -5.5739 -4.7987 -4.7987 -4.0261 -4.0261 -3.9693 -3.9693 -2.8149 -2.8149 2.9778 2.9778 3.7895 3.7895 4.1756 4.1756 4.3217 4.3217 4.9159 4.9159 5.2602 5.2602 7.2789 7.2789 8.7971 8.7971 9.2962 9.2962 10.3320 10.3320 k = 0.5680 0.1500-0.3762 ( 4240 PWs) bands (ev): -20.1843 -20.1843 -18.3506 -18.3506 -18.3443 -18.3443 -15.3684 -15.3684 -15.3584 -15.3584 -15.3533 -15.3533 -6.7101 -6.7101 -5.5738 -5.5738 -4.8008 -4.8008 -4.0279 -4.0279 -3.9644 -3.9644 -2.7719 -2.7719 3.0630 3.0630 3.8256 3.8256 4.1968 4.1968 4.3308 4.3308 4.9251 4.9251 5.2770 5.2770 7.2425 7.2425 8.7660 8.7660 9.2661 9.2661 10.3541 10.3541 k = 0.5642 0.1490-0.3508 ( 4246 PWs) bands (ev): -20.1855 -20.1855 -18.3507 -18.3507 -18.3443 -18.3443 -15.3686 -15.3686 -15.3585 -15.3585 -15.3533 -15.3533 -6.7438 -6.7438 -5.5740 -5.5740 -4.8027 -4.8027 -4.0298 -4.0298 -3.9594 -3.9594 -2.7305 -2.7305 3.1483 3.1483 3.8601 3.8601 4.2132 4.2132 4.3495 4.3495 4.9342 4.9342 5.2915 5.2915 7.2033 7.2033 8.7304 8.7304 9.2359 9.2359 10.3702 10.3702 k = 0.5605 0.1480-0.3255 ( 4243 PWs) bands (ev): -20.1866 -20.1866 -18.3509 -18.3509 -18.3443 -18.3443 -15.3689 -15.3689 -15.3586 -15.3586 -15.3532 -15.3532 -6.7758 -6.7758 -5.5745 -5.5745 -4.8046 -4.8046 -4.0317 -4.0317 -3.9544 -3.9544 -2.6909 -2.6909 3.2326 3.2326 3.8923 3.8923 4.2275 4.2275 4.3762 4.3762 4.9432 4.9432 5.3036 5.3036 7.1615 7.1615 8.6902 8.6902 9.2058 9.2058 10.3801 10.3801 k = 0.5567 0.1470-0.3002 ( 4242 PWs) bands (ev): -20.1877 -20.1877 -18.3510 -18.3510 -18.3443 -18.3443 -15.3691 -15.3691 -15.3588 -15.3588 -15.3531 -15.3531 -6.8061 -6.8061 -5.5752 -5.5752 -4.8063 -4.8063 -4.0335 -4.0335 -3.9495 -3.9495 -2.6531 -2.6531 3.3146 3.3146 3.9218 3.9218 4.2433 4.2433 4.4087 4.4087 4.9521 4.9521 5.3132 5.3132 7.1169 7.1169 8.6458 8.6458 9.1762 9.1762 10.3846 10.3846 k = 0.5529 0.1460-0.2748 ( 4240 PWs) bands (ev): -20.1888 -20.1888 -18.3512 -18.3512 -18.3443 -18.3443 -15.3693 -15.3693 -15.3589 -15.3589 -15.3530 -15.3530 -6.8346 -6.8346 -5.5761 -5.5761 -4.8079 -4.8079 -4.0352 -4.0352 -3.9446 -3.9446 -2.6173 -2.6173 3.3927 3.3927 3.9487 3.9487 4.2634 4.2634 4.4449 4.4449 4.9608 4.9608 5.3203 5.3203 7.0698 7.0698 8.5979 8.5979 9.1473 9.1473 10.3844 10.3844 k = 0.5491 0.1450-0.2495 ( 4242 PWs) bands (ev): -20.1898 -20.1898 -18.3513 -18.3513 -18.3443 -18.3443 -15.3696 -15.3696 -15.3590 -15.3590 -15.3529 -15.3529 -6.8613 -6.8613 -5.5772 -5.5772 -4.8094 -4.8094 -4.0368 -4.0368 -3.9399 -3.9399 -2.5835 -2.5835 3.4649 3.4649 3.9742 3.9742 4.2889 4.2889 4.4838 4.4838 4.9693 4.9693 5.3249 5.3249 7.0201 7.0201 8.5473 8.5473 9.1191 9.1191 10.3807 10.3807 k = 0.5454 0.1441-0.2242 ( 4251 PWs) bands (ev): -20.1908 -20.1908 -18.3514 -18.3514 -18.3443 -18.3443 -15.3698 -15.3698 -15.3591 -15.3591 -15.3527 -15.3527 -6.8861 -6.8861 -5.5784 -5.5784 -4.8108 -4.8108 -4.0383 -4.0383 -3.9354 -3.9354 -2.5519 -2.5519 3.5289 3.5289 4.0001 4.0001 4.3198 4.3198 4.5250 4.5250 4.9775 4.9775 5.3269 5.3269 6.9680 6.9680 8.4948 8.4948 9.0918 9.0918 10.3744 10.3744 k = 0.5416 0.1431-0.1988 ( 4251 PWs) bands (ev): -20.1917 -20.1917 -18.3515 -18.3515 -18.3443 -18.3443 -15.3701 -15.3701 -15.3592 -15.3592 -15.3526 -15.3526 -6.9091 -6.9091 -5.5797 -5.5797 -4.8120 -4.8120 -4.0397 -4.0397 -3.9310 -3.9310 -2.5224 -2.5224 3.5825 3.5825 4.0285 4.0285 4.3552 4.3552 4.5685 4.5685 4.9853 4.9853 5.3265 5.3265 6.9138 6.9138 8.4415 8.4415 9.0656 9.0656 10.3666 10.3666 k = 0.5378 0.1421-0.1735 ( 4255 PWs) bands (ev): -20.1925 -20.1925 -18.3517 -18.3517 -18.3443 -18.3443 -15.3703 -15.3703 -15.3593 -15.3593 -15.3525 -15.3525 -6.9301 -6.9301 -5.5810 -5.5810 -4.8131 -4.8131 -4.0410 -4.0410 -3.9269 -3.9269 -2.4953 -2.4953 3.6245 3.6245 4.0609 4.0609 4.3939 4.3939 4.6142 4.6142 4.9927 4.9927 5.3237 5.3237 6.8578 6.8578 8.3885 8.3885 9.0407 9.0407 10.3580 10.3580 k = 0.5340 0.1411-0.1482 ( 4260 PWs) bands (ev): -20.1933 -20.1933 -18.3518 -18.3518 -18.3443 -18.3443 -15.3705 -15.3705 -15.3594 -15.3594 -15.3523 -15.3523 -6.9492 -6.9492 -5.5823 -5.5823 -4.8141 -4.8141 -4.0422 -4.0422 -3.9231 -3.9231 -2.4705 -2.4705 3.6550 3.6550 4.0970 4.0970 4.4341 4.4341 4.6625 4.6625 4.9997 4.9997 5.3188 5.3188 6.8005 6.8005 8.3368 8.3368 9.0172 9.0172 10.3492 10.3492 k = 0.5302 0.1401-0.1229 ( 4256 PWs) bands (ev): -20.1940 -20.1940 -18.3519 -18.3519 -18.3443 -18.3443 -15.3707 -15.3707 -15.3594 -15.3594 -15.3522 -15.3522 -6.9663 -6.9663 -5.5836 -5.5836 -4.8150 -4.8150 -4.0433 -4.0433 -3.9195 -3.9195 -2.4482 -2.4482 3.6755 3.6755 4.1352 4.1352 4.4746 4.4746 4.7132 4.7132 5.0062 5.0062 5.3119 5.3119 6.7425 6.7425 8.2875 8.2875 8.9954 8.9954 10.3405 10.3405 k = 0.5265 0.1391-0.0975 ( 4268 PWs) bands (ev): -20.1946 -20.1946 -18.3519 -18.3519 -18.3443 -18.3443 -15.3709 -15.3709 -15.3595 -15.3595 -15.3521 -15.3521 -6.9815 -6.9815 -5.5848 -5.5848 -4.8158 -4.8158 -4.0442 -4.0442 -3.9163 -3.9163 -2.4283 -2.4283 3.6884 3.6884 4.1734 4.1734 4.5138 4.5138 4.7659 4.7659 5.0122 5.0122 5.3035 5.3035 6.6846 6.6846 8.2416 8.2416 8.9755 8.9755 10.3325 10.3325 k = 0.5227 0.1381-0.0722 ( 4270 PWs) bands (ev): -20.1952 -20.1952 -18.3520 -18.3520 -18.3443 -18.3443 -15.3711 -15.3711 -15.3596 -15.3596 -15.3520 -15.3520 -6.9947 -6.9947 -5.5859 -5.5859 -4.8164 -4.8164 -4.0450 -4.0450 -3.9135 -3.9135 -2.4109 -2.4109 3.6958 3.6958 4.2093 4.2093 4.5504 4.5504 4.8193 4.8193 5.0177 5.0177 5.2940 5.2940 6.6281 6.6281 8.1999 8.1999 8.9576 8.9576 10.3251 10.3251 k = 0.5189 0.1371-0.0469 ( 4276 PWs) bands (ev): -20.1957 -20.1957 -18.3521 -18.3521 -18.3443 -18.3443 -15.3712 -15.3712 -15.3596 -15.3596 -15.3519 -15.3519 -7.0058 -7.0058 -5.5869 -5.5869 -4.8170 -4.8170 -4.0457 -4.0457 -3.9111 -3.9111 -2.3962 -2.3962 3.6997 3.6997 4.2413 4.2413 4.5836 4.5836 4.8715 4.8715 5.0229 5.0229 5.2841 5.2841 6.5744 6.5744 8.1632 8.1632 8.9421 8.9421 10.3188 10.3188 k = 0.5151 0.1361-0.0215 ( 4277 PWs) bands (ev): -20.1960 -20.1960 -18.3521 -18.3521 -18.3443 -18.3443 -15.3714 -15.3714 -15.3596 -15.3596 -15.3518 -15.3518 -7.0150 -7.0150 -5.5878 -5.5878 -4.8174 -4.8174 -4.0463 -4.0463 -3.9091 -3.9091 -2.3840 -2.3840 3.7014 3.7014 4.2684 4.2684 4.6123 4.6123 4.9196 4.9196 5.0280 5.0280 5.2744 5.2744 6.5255 6.5255 8.1323 8.1323 8.9292 8.9292 10.3134 10.3134 k = 0.5113 0.1351 0.0038 ( 4279 PWs) bands (ev): -20.1964 -20.1964 -18.3522 -18.3522 -18.3443 -18.3443 -15.3715 -15.3715 -15.3597 -15.3597 -15.3517 -15.3517 -7.0221 -7.0221 -5.5885 -5.5885 -4.8178 -4.8178 -4.0467 -4.0467 -3.9075 -3.9075 -2.3746 -2.3746 3.7018 3.7018 4.2898 4.2898 4.6358 4.6358 4.9598 4.9598 5.0339 5.0339 5.2656 5.2656 6.4836 6.4836 8.1077 8.1077 8.9189 8.9189 10.3092 10.3092 k = 0.5076 0.1341 0.0291 ( 4290 PWs) bands (ev): -20.1966 -20.1966 -18.3522 -18.3522 -18.3443 -18.3443 -15.3715 -15.3715 -15.3597 -15.3597 -15.3517 -15.3517 -7.0272 -7.0272 -5.5890 -5.5890 -4.8180 -4.8180 -4.0470 -4.0470 -3.9063 -3.9063 -2.3678 -2.3678 3.7017 3.7017 4.3053 4.3053 4.6534 4.6534 4.9879 4.9879 5.0417 5.0417 5.2587 5.2587 6.4512 6.4512 8.0898 8.0898 8.9114 8.9114 10.3061 10.3061 k = 0.5038 0.1331 0.0545 ( 4293 PWs) bands (ev): -20.1967 -20.1967 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0303 -7.0303 -5.5893 -5.5893 -4.8182 -4.8182 -4.0472 -4.0472 -3.9056 -3.9056 -2.3637 -2.3637 3.7015 3.7015 4.3147 4.3147 4.6642 4.6642 5.0021 5.0021 5.0502 5.0502 5.2542 5.2542 6.4306 6.4306 8.0790 8.0790 8.9069 8.9069 10.3043 10.3043 k = 0.5000 0.1321 0.0798 ( 4304 PWs) bands (ev): -20.1968 -20.1968 -18.3522 -18.3522 -18.3443 -18.3443 -15.3716 -15.3716 -15.3597 -15.3597 -15.3517 -15.3517 -7.0313 -7.0313 -5.5894 -5.5894 -4.8182 -4.8182 -4.0473 -4.0473 -3.9054 -3.9054 -2.3623 -2.3623 3.7014 3.7014 4.3178 4.3178 4.6679 4.6679 5.0061 5.0061 5.0541 5.0541 5.2527 5.2527 6.4235 6.4235 8.0753 8.0753 8.9054 8.9054 10.3036 10.3036 k = 0.5000-0.8804-0.5320 ( 4204 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8050 -5.8050 -5.4968 -5.4968 -4.8666 -4.8666 -4.2128 -4.2128 -4.0696 -4.0696 -3.5490 -3.5490 1.8200 1.8200 3.0289 3.0289 3.5336 3.5336 4.6279 4.6279 4.9102 4.9102 5.0256 5.0256 7.4501 7.4501 8.8209 8.8209 9.4752 9.4752 10.4116 10.4116 k = 0.5227-0.8710-0.5263 ( 4218 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8046 -5.8046 -5.4978 -5.4978 -4.8661 -4.8661 -4.2118 -4.2118 -4.0695 -4.0695 -3.5502 -3.5502 1.8207 1.8207 3.0301 3.0301 3.5343 3.5343 4.6267 4.6267 4.9091 4.9091 5.0231 5.0231 7.4515 7.4515 8.8220 8.8220 9.4765 9.4765 10.3983 10.3983 k = 0.5454-0.8616-0.5206 ( 4220 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8035 -5.8035 -5.5008 -5.5008 -4.8647 -4.8647 -4.2087 -4.2087 -4.0693 -4.0693 -3.5536 -3.5536 1.8228 1.8228 3.0337 3.0337 3.5365 3.5365 4.6234 4.6234 4.9060 4.9060 5.0158 5.0158 7.4555 7.4555 8.8253 8.8253 9.4804 9.4804 10.3618 10.3618 k = 0.5680-0.8521-0.5149 ( 4220 PWs) bands (ev): -20.1617 -20.1617 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.8016 -5.8016 -5.5057 -5.5057 -4.8624 -4.8624 -4.2036 -4.2036 -4.0689 -4.0689 -3.5593 -3.5593 1.8263 1.8263 3.0397 3.0397 3.5402 3.5402 4.6178 4.6178 4.9009 4.9009 5.0038 5.0038 7.4621 7.4621 8.8307 8.8307 9.4868 9.4868 10.3096 10.3096 k = 0.5907-0.8427-0.5092 ( 4221 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.7991 -5.7991 -5.5123 -5.5123 -4.8594 -4.8594 -4.1965 -4.1965 -4.0682 -4.0682 -3.5671 -3.5671 1.8311 1.8311 3.0479 3.0479 3.5452 3.5452 4.6101 4.6101 4.8938 4.8938 4.9875 4.9875 7.4710 7.4710 8.8382 8.8382 9.4956 9.4956 10.2486 10.2486 k = 0.6134-0.8333-0.5035 ( 4221 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.7959 -5.7959 -5.5204 -5.5204 -4.8559 -4.8559 -4.1878 -4.1878 -4.0672 -4.0672 -3.5772 -3.5772 1.8372 1.8372 3.0583 3.0583 3.5517 3.5517 4.6004 4.6004 4.8848 4.8848 4.9674 4.9674 7.4819 7.4819 8.8474 8.8474 9.5067 9.5067 10.1838 10.1838 k = 0.6361-0.8238-0.4978 ( 4227 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.7923 -5.7923 -5.5295 -5.5295 -4.8520 -4.8520 -4.1775 -4.1775 -4.0656 -4.0656 -3.5892 -3.5892 1.8445 1.8445 3.0705 3.0705 3.5595 3.5595 4.5890 4.5890 4.8736 4.8736 4.9442 4.9442 7.4946 7.4946 8.8581 8.8581 9.5199 9.5199 10.1183 10.1183 k = 0.6587-0.8144-0.4921 ( 4224 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.7883 -5.7883 -5.5394 -5.5394 -4.8479 -4.8479 -4.1661 -4.1661 -4.0632 -4.0632 -3.6031 -3.6031 1.8528 1.8528 3.0845 3.0845 3.5686 3.5686 4.5759 4.5759 4.8599 4.8599 4.9191 4.9191 7.5085 7.5085 8.8702 8.8702 9.5348 9.5348 10.0541 10.0541 k = 0.6814-0.8050-0.4864 ( 4224 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3481 -15.3481 -5.7842 -5.7842 -5.5496 -5.5496 -4.8439 -4.8439 -4.1542 -4.1542 -4.0597 -4.0597 -3.6189 -3.6189 1.8622 1.8622 3.0999 3.0999 3.5788 3.5788 4.5613 4.5613 4.8429 4.8429 4.8938 4.8938 7.5234 7.5234 8.8833 8.8833 9.5513 9.5513 9.9925 9.9925 k = 0.7041-0.7955-0.4807 ( 4224 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7801 -5.7801 -5.5596 -5.5596 -4.8400 -4.8400 -4.1424 -4.1424 -4.0543 -4.0543 -3.6362 -3.6362 1.8723 1.8723 3.1164 3.1164 3.5901 3.5901 4.5456 4.5456 4.8209 4.8209 4.8706 4.8706 7.5387 7.5387 8.8971 8.8971 9.5691 9.5691 9.9344 9.9344 k = 0.7268-0.7861-0.4750 ( 4220 PWs) bands (ev): -20.1618 -20.1618 -18.3483 -18.3483 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7766 -5.7766 -5.5690 -5.5690 -4.8364 -4.8364 -4.1317 -4.1317 -4.0465 -4.0465 -3.6549 -3.6549 1.8831 1.8831 3.1336 3.1336 3.6022 3.6022 4.5290 4.5290 4.7936 4.7936 4.8511 4.8511 7.5542 7.5542 8.9112 8.9112 9.5876 9.5876 9.8805 9.8805 k = 0.7494-0.7767-0.4693 ( 4220 PWs) bands (ev): -20.1619 -20.1619 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7739 -5.7739 -5.5770 -5.5770 -4.8332 -4.8332 -4.1229 -4.1229 -4.0356 -4.0356 -3.6747 -3.6747 1.8944 1.8944 3.1513 3.1513 3.6151 3.6151 4.5117 4.5117 4.7626 4.7626 4.8345 4.8345 7.5693 7.5693 8.9253 8.9253 9.6066 9.6066 9.8311 9.8311 k = 0.7721-0.7672-0.4636 ( 4220 PWs) bands (ev): -20.1619 -20.1619 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7725 -5.7725 -5.5832 -5.5832 -4.8305 -4.8305 -4.1164 -4.1164 -4.0217 -4.0217 -3.6953 -3.6953 1.9061 1.9061 3.1689 3.1689 3.6285 3.6285 4.4941 4.4941 4.7301 4.7301 4.8199 4.8199 7.5838 7.5838 8.9392 8.9392 9.6254 9.6254 9.7867 9.7867 k = 0.7948-0.7578-0.4579 ( 4228 PWs) bands (ev): -20.1619 -20.1619 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7729 -5.7729 -5.5870 -5.5870 -4.8284 -4.8284 -4.1120 -4.1120 -4.0053 -4.0053 -3.7162 -3.7162 1.9179 1.9179 3.1861 3.1861 3.6420 3.6420 4.4764 4.4764 4.6975 4.6975 4.8067 4.8067 7.5973 7.5973 8.9524 8.9524 9.6435 9.6435 9.7477 9.7477 k = 0.8175-0.7483-0.4522 ( 4240 PWs) bands (ev): -20.1619 -20.1619 -18.3484 -18.3484 -18.3436 -18.3436 -15.3686 -15.3686 -15.3584 -15.3584 -15.3482 -15.3482 -5.7754 -5.7754 -5.5879 -5.5879 -4.8270 -4.8270 -4.1093 -4.1093 -3.9877 -3.9877 -3.7367 -3.7367 1.9297 1.9297 3.2023 3.2023 3.6554 3.6554 4.4590 4.4590 4.6663 4.6663 4.7949 4.7949 7.6095 7.6095 8.9646 8.9646 9.6592 9.6592 9.7156 9.7156 Writing output data file RbBiS2.save init_run : 0.94s CPU 1.22s WALL ( 1 calls) electrons : 176.31s CPU 177.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.18s WALL ( 1 calls) Called by electrons: c_bands : 176.30s CPU 177.89s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.16s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 289 calls) cegterg : 158.53s CPU 159.72s WALL ( 354 calls) Called by sum_band: Called by *egterg: h_psi : 130.61s CPU 131.55s WALL ( 5989 calls) s_psi : 3.70s CPU 3.60s WALL ( 5989 calls) g_psi : 0.18s CPU 0.16s WALL ( 5346 calls) cdiaghg : 29.60s CPU 29.86s WALL ( 5635 calls) cegterg:over : 3.50s CPU 3.57s WALL ( 5346 calls) cegterg:upda : 3.24s CPU 3.35s WALL ( 5346 calls) cegterg:last : 1.50s CPU 1.58s WALL ( 932 calls) cdiaghg:chol : 1.74s CPU 1.75s WALL ( 5635 calls) cdiaghg:inve : 0.90s CPU 0.96s WALL ( 5635 calls) cdiaghg:para : 1.95s CPU 1.71s WALL ( 11270 calls) Called by h_psi: h_psi:vloc : 122.28s CPU 123.16s WALL ( 5989 calls) h_psi:vnl : 8.13s CPU 8.26s WALL ( 5989 calls) add_vuspsi : 4.08s CPU 4.13s WALL ( 5989 calls) General routines calbec : 4.03s CPU 4.11s WALL ( 5989 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 108.74s CPU 109.28s WALL ( 519392 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.18s WALL ( 578 calls) Parallel routines fft_scatter : 26.04s CPU 26.14s WALL ( 519415 calls) PWSCF : 3m10.60s CPU 3m26.96s WALL This run was terminated on: 14:37:14 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=