Program PWSCF v.5.1.1 starts on 8Jun2016 at 6:51:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlAgS2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 44 12 969 969 149 Max 45 45 13 973 973 152 Sum 2145 2145 619 46605 46605 7231 bravais-lattice index = 14 lattice parameter (alat) = 12.3243 a.u. unit-cell volume = 1122.7972 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.324348 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.618735 celldm(5)= -0.618735 celldm(6)= 0.237469 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.237469 0.971395 0.000000 ) a(3) = ( -0.618735 -0.485697 0.617467 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.244462 0.809760 ) b(2) = ( 0.000000 1.029447 0.809760 ) b(3) = ( 0.000000 0.000000 1.619520 ) PseudoPot. # 1 for S read from file: /home/autes/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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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) Al 3.00 26.98150 Al( 1.00) Ag 11.00 107.86820 Ag( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 281 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0000000 0.0202440), wk = 0.0035587 k( 3) = ( 0.0000000 0.0000000 0.0404880), wk = 0.0035587 k( 4) = ( 0.0000000 0.0000000 0.0607320), wk = 0.0035587 k( 5) = ( 0.0000000 0.0000000 0.0809760), wk = 0.0035587 k( 6) = ( 0.0000000 0.0000000 0.1012200), wk = 0.0035587 k( 7) = ( 0.0000000 0.0000000 0.1214640), wk = 0.0035587 k( 8) = ( 0.0000000 0.0000000 0.1417080), wk = 0.0035587 k( 9) = ( 0.0000000 0.0000000 0.1619520), wk = 0.0035587 k( 10) = ( 0.0000000 0.0000000 0.1821960), wk = 0.0035587 k( 11) = ( 0.0000000 0.0000000 0.2024400), wk = 0.0035587 k( 12) = ( 0.0000000 0.0000000 0.2226840), wk = 0.0035587 k( 13) = ( 0.0000000 0.0000000 0.2429280), wk = 0.0035587 k( 14) = ( 0.0000000 0.0000000 0.2631720), wk = 0.0035587 k( 15) = ( 0.0000000 0.0000000 0.2834160), wk = 0.0035587 k( 16) = ( 0.0000000 0.0000000 0.3036600), wk = 0.0035587 k( 17) = ( 0.0000000 0.0000000 0.3239041), wk = 0.0035587 k( 18) = ( 0.0000000 0.0000000 0.3441481), wk = 0.0035587 k( 19) = ( 0.0000000 0.0000000 0.3643921), wk = 0.0035587 k( 20) = ( 0.0000000 0.0000000 0.3846361), wk = 0.0035587 k( 21) = ( 0.0000000 0.0000000 0.4048801), wk = 0.0035587 k( 22) = ( 0.0000000 0.0000000 0.4251241), wk = 0.0035587 k( 23) = ( 0.0000000 0.0000000 0.4453681), wk = 0.0035587 k( 24) = ( 0.0000000 0.0000000 0.4656121), wk = 0.0035587 k( 25) = ( 0.0000000 0.0000000 0.4858561), wk = 0.0035587 k( 26) = ( 0.0000000 0.0000000 0.5061001), wk = 0.0035587 k( 27) = ( 0.0000000 0.0000000 0.5263441), wk = 0.0035587 k( 28) = ( 0.0000000 0.0000000 0.5465881), wk = 0.0035587 k( 29) = ( 0.0000000 0.0000000 0.5668321), wk = 0.0035587 k( 30) = ( 0.0000000 0.0000000 0.5870761), wk = 0.0035587 k( 31) = ( 0.0000000 0.0000000 0.6073201), wk = 0.0035587 k( 32) = ( 0.0000000 0.0000000 0.6275641), wk = 0.0035587 k( 33) = ( 0.0000000 0.0000000 0.6478081), wk = 0.0035587 k( 34) = ( 0.0000000 0.0000000 0.6680521), wk = 0.0035587 k( 35) = ( 0.0000000 0.0000000 0.6882961), wk = 0.0035587 k( 36) = ( 0.0000000 0.0000000 0.7085401), wk = 0.0035587 k( 37) = ( 0.0000000 0.0000000 0.7287841), wk = 0.0035587 k( 38) = ( 0.0000000 0.0000000 0.7490281), wk = 0.0035587 k( 39) = ( 0.0000000 0.0000000 0.7692721), wk = 0.0035587 k( 40) = ( 0.0000000 0.0000000 0.7895161), wk = 0.0035587 k( 41) = ( 0.0000000 0.0000000 0.8097601), wk = 0.0035587 k( 42) = ( 0.0000000 0.0000000 0.8097601), wk = 0.0035587 k( 43) = ( -0.0118500 0.0150959 0.8097601), wk = 0.0035587 k( 44) = ( -0.0237001 0.0301917 0.8097601), wk = 0.0035587 k( 45) = ( -0.0355501 0.0452876 0.8097601), wk = 0.0035587 k( 46) = ( -0.0474001 0.0603835 0.8097601), wk = 0.0035587 k( 47) = ( -0.0592501 0.0754793 0.8097601), wk = 0.0035587 k( 48) = ( -0.0711002 0.0905752 0.8097601), wk = 0.0035587 k( 49) = ( -0.0829502 0.1056711 0.8097601), wk = 0.0035587 k( 50) = ( -0.0948002 0.1207669 0.8097601), wk = 0.0035587 k( 51) = ( -0.1066503 0.1358628 0.8097601), wk = 0.0035587 k( 52) = ( -0.1185003 0.1509587 0.8097601), wk = 0.0035587 k( 53) = ( -0.1303503 0.1660545 0.8097601), wk = 0.0035587 k( 54) = ( -0.1422003 0.1811504 0.8097601), wk = 0.0035587 k( 55) = ( -0.1540504 0.1962463 0.8097601), wk = 0.0035587 k( 56) = ( -0.1540504 0.1962463 0.8097601), wk = 0.0035587 k( 57) = ( -0.1626991 0.2072640 0.7957533), wk = 0.0035587 k( 58) = ( -0.1713478 0.2182817 0.7817465), wk = 0.0035587 k( 59) = ( -0.1799966 0.2292994 0.7677397), wk = 0.0035587 k( 60) = ( -0.1886453 0.2403171 0.7537329), wk = 0.0035587 k( 61) = ( -0.1972941 0.2513348 0.7397261), wk = 0.0035587 k( 62) = ( -0.2059428 0.2623525 0.7257193), wk = 0.0035587 k( 63) = ( -0.2145915 0.2733703 0.7117124), wk = 0.0035587 k( 64) = ( -0.2232403 0.2843880 0.6977056), wk = 0.0035587 k( 65) = ( -0.2318890 0.2954057 0.6836988), wk = 0.0035587 k( 66) = ( -0.2405378 0.3064234 0.6696920), wk = 0.0035587 k( 67) = ( -0.2491865 0.3174411 0.6556852), wk = 0.0035587 k( 68) = ( -0.2578353 0.3284588 0.6416784), wk = 0.0035587 k( 69) = ( -0.2664840 0.3394765 0.6276716), wk = 0.0035587 k( 70) = ( -0.2751327 0.3504943 0.6136648), wk = 0.0035587 k( 71) = ( -0.2837815 0.3615120 0.5996580), wk = 0.0035587 k( 72) = ( -0.2924302 0.3725297 0.5856512), wk = 0.0035587 k( 73) = ( -0.3010790 0.3835474 0.5716443), wk = 0.0035587 k( 74) = ( -0.3097277 0.3945651 0.5576375), wk = 0.0035587 k( 75) = ( -0.3183764 0.4055828 0.5436307), wk = 0.0035587 k( 76) = ( -0.3270252 0.4166005 0.5296239), wk = 0.0035587 k( 77) = ( -0.3270252 0.4166005 0.5296239), wk = 0.0035587 k( 78) = ( -0.3181867 0.4053411 0.5153098), wk = 0.0035587 k( 79) = ( -0.3093481 0.3940816 0.5009956), wk = 0.0035587 k( 80) = ( -0.3005096 0.3828221 0.4866814), wk = 0.0035587 k( 81) = ( -0.2916711 0.3715626 0.4723673), wk = 0.0035587 k( 82) = ( -0.2828326 0.3603032 0.4580531), wk = 0.0035587 k( 83) = ( -0.2739941 0.3490437 0.4437389), wk = 0.0035587 k( 84) = ( -0.2651556 0.3377842 0.4294248), wk = 0.0035587 k( 85) = ( -0.2563170 0.3265248 0.4151106), wk = 0.0035587 k( 86) = ( -0.2474785 0.3152653 0.4007965), wk = 0.0035587 k( 87) = ( -0.2386400 0.3040058 0.3864823), wk = 0.0035587 k( 88) = ( -0.2298015 0.2927463 0.3721682), wk = 0.0035587 k( 89) = ( -0.2209630 0.2814869 0.3578540), wk = 0.0035587 k( 90) = ( -0.2121244 0.2702274 0.3435398), wk = 0.0035587 k( 91) = ( -0.2032859 0.2589679 0.3292257), wk = 0.0035587 k( 92) = ( -0.1944474 0.2477084 0.3149115), wk = 0.0035587 k( 93) = ( -0.1856089 0.2364490 0.3005974), wk = 0.0035587 k( 94) = ( -0.1767704 0.2251895 0.2862832), wk = 0.0035587 k( 95) = ( -0.1679318 0.2139300 0.2719690), wk = 0.0035587 k( 96) = ( -0.1590933 0.2026705 0.2576549), wk = 0.0035587 k( 97) = ( -0.1502548 0.1914111 0.2433407), wk = 0.0035587 k( 98) = ( -0.1414163 0.1801516 0.2290266), wk = 0.0035587 k( 99) = ( -0.1325778 0.1688921 0.2147124), wk = 0.0035587 k( 100) = ( -0.1237393 0.1576326 0.2003982), wk = 0.0035587 k( 101) = ( -0.1149007 0.1463732 0.1860841), wk = 0.0035587 k( 102) = ( -0.1060622 0.1351137 0.1717699), wk = 0.0035587 k( 103) = ( -0.0972237 0.1238542 0.1574558), wk = 0.0035587 k( 104) = ( -0.0883852 0.1125947 0.1431416), wk = 0.0035587 k( 105) = ( -0.0795467 0.1013353 0.1288274), wk = 0.0035587 k( 106) = ( -0.0707081 0.0900758 0.1145133), wk = 0.0035587 k( 107) = ( -0.0618696 0.0788163 0.1001991), wk = 0.0035587 k( 108) = ( -0.0530311 0.0675568 0.0858850), wk = 0.0035587 k( 109) = ( -0.0441926 0.0562974 0.0715708), wk = 0.0035587 k( 110) = ( -0.0353541 0.0450379 0.0572566), wk = 0.0035587 k( 111) = ( -0.0265156 0.0337784 0.0429425), wk = 0.0035587 k( 112) = ( -0.0176770 0.0225190 0.0286283), wk = 0.0035587 k( 113) = ( -0.0088385 0.0112595 0.0143142), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 116) = ( 0.0161290 0.0126610 -0.0000000), wk = 0.0035587 k( 117) = ( 0.0322581 0.0253221 -0.0000000), wk = 0.0035587 k( 118) = ( 0.0483871 0.0379831 -0.0000000), wk = 0.0035587 k( 119) = ( 0.0645161 0.0506442 -0.0000000), wk = 0.0035587 k( 120) = ( 0.0806452 0.0633052 -0.0000000), wk = 0.0035587 k( 121) = ( 0.0967742 0.0759663 -0.0000000), wk = 0.0035587 k( 122) = ( 0.1129032 0.0886273 -0.0000000), wk = 0.0035587 k( 123) = ( 0.1290323 0.1012884 -0.0000000), wk = 0.0035587 k( 124) = ( 0.1451613 0.1139494 -0.0000000), wk = 0.0035587 k( 125) = ( 0.1612903 0.1266105 -0.0000000), wk = 0.0035587 k( 126) = ( 0.1774194 0.1392715 -0.0000000), wk = 0.0035587 k( 127) = ( 0.1935484 0.1519326 -0.0000000), wk = 0.0035587 k( 128) = ( 0.2096774 0.1645936 -0.0000000), wk = 0.0035587 k( 129) = ( 0.2258064 0.1772547 -0.0000000), wk = 0.0035587 k( 130) = ( 0.2419355 0.1899157 -0.0000000), wk = 0.0035587 k( 131) = ( 0.2580645 0.2025768 -0.0000000), wk = 0.0035587 k( 132) = ( 0.2741936 0.2152378 -0.0000000), wk = 0.0035587 k( 133) = ( 0.2903226 0.2278989 -0.0000000), wk = 0.0035587 k( 134) = ( 0.3064516 0.2405599 -0.0000000), wk = 0.0035587 k( 135) = ( 0.3225807 0.2532210 -0.0000000), wk = 0.0035587 k( 136) = ( 0.3387097 0.2658820 -0.0000000), wk = 0.0035587 k( 137) = ( 0.3548387 0.2785431 -0.0000000), wk = 0.0035587 k( 138) = ( 0.3709677 0.2912041 -0.0000000), wk = 0.0035587 k( 139) = ( 0.3870968 0.3038652 -0.0000000), wk = 0.0035587 k( 140) = ( 0.4032258 0.3165262 -0.0000000), wk = 0.0035587 k( 141) = ( 0.4193548 0.3291873 -0.0000000), wk = 0.0035587 k( 142) = ( 0.4354839 0.3418483 -0.0000000), wk = 0.0035587 k( 143) = ( 0.4516129 0.3545094 -0.0000000), wk = 0.0035587 k( 144) = ( 0.4677419 0.3671704 -0.0000000), wk = 0.0035587 k( 145) = ( 0.4838710 0.3798315 -0.0000000), wk = 0.0035587 k( 146) = ( 0.5000000 0.3924925 -0.0000000), wk = 0.0035587 k( 147) = ( 0.5000000 0.3924925 -0.0000000), wk = 0.0035587 k( 148) = ( 0.4913513 0.4035102 0.0140068), wk = 0.0035587 k( 149) = ( 0.4827025 0.4145279 0.0280136), wk = 0.0035587 k( 150) = ( 0.4740538 0.4255456 0.0420204), wk = 0.0035587 k( 151) = ( 0.4654050 0.4365634 0.0560272), wk = 0.0035587 k( 152) = ( 0.4567563 0.4475811 0.0700340), wk = 0.0035587 k( 153) = ( 0.4481076 0.4585988 0.0840409), wk = 0.0035587 k( 154) = ( 0.4394588 0.4696165 0.0980477), wk = 0.0035587 k( 155) = ( 0.4308101 0.4806342 0.1120545), wk = 0.0035587 k( 156) = ( 0.4221613 0.4916519 0.1260613), wk = 0.0035587 k( 157) = ( 0.4135126 0.5026697 0.1400681), wk = 0.0035587 k( 158) = ( 0.4048639 0.5136874 0.1540749), wk = 0.0035587 k( 159) = ( 0.3962151 0.5247051 0.1680817), wk = 0.0035587 k( 160) = ( 0.3875664 0.5357228 0.1820885), wk = 0.0035587 k( 161) = ( 0.3789176 0.5467405 0.1960954), wk = 0.0035587 k( 162) = ( 0.3702689 0.5577582 0.2101022), wk = 0.0035587 k( 163) = ( 0.3616201 0.5687759 0.2241090), wk = 0.0035587 k( 164) = ( 0.3529714 0.5797936 0.2381158), wk = 0.0035587 k( 165) = ( 0.3443227 0.5908114 0.2521226), wk = 0.0035587 k( 166) = ( 0.3356739 0.6018291 0.2661294), wk = 0.0035587 k( 167) = ( 0.3270252 0.6128468 0.2801362), wk = 0.0035587 k( 168) = ( 0.3270252 0.6128468 0.2801362), wk = 0.0035587 k( 169) = ( 0.3088571 0.6073955 0.2870664), wk = 0.0035587 k( 170) = ( 0.2906891 0.6019442 0.2939966), wk = 0.0035587 k( 171) = ( 0.2725210 0.5964929 0.3009269), wk = 0.0035587 k( 172) = ( 0.2543529 0.5910417 0.3078571), wk = 0.0035587 k( 173) = ( 0.2361849 0.5855904 0.3147873), wk = 0.0035587 k( 174) = ( 0.2180168 0.5801391 0.3217175), wk = 0.0035587 k( 175) = ( 0.1998487 0.5746878 0.3286477), wk = 0.0035587 k( 176) = ( 0.1816807 0.5692365 0.3355779), wk = 0.0035587 k( 177) = ( 0.1635126 0.5637852 0.3425081), wk = 0.0035587 k( 178) = ( 0.1453445 0.5583340 0.3494384), wk = 0.0035587 k( 179) = ( 0.1271765 0.5528827 0.3563686), wk = 0.0035587 k( 180) = ( 0.1090084 0.5474314 0.3632988), wk = 0.0035587 k( 181) = ( 0.0908403 0.5419801 0.3702290), wk = 0.0035587 k( 182) = ( 0.0726723 0.5365288 0.3771592), wk = 0.0035587 k( 183) = ( 0.0545042 0.5310775 0.3840894), wk = 0.0035587 k( 184) = ( 0.0363361 0.5256262 0.3910196), wk = 0.0035587 k( 185) = ( 0.0181681 0.5201750 0.3979498), wk = 0.0035587 k( 186) = ( 0.0000000 0.5147237 0.4048801), wk = 0.0035587 k( 187) = ( 0.0000000 0.5147237 0.4048801), wk = 0.0035587 k( 188) = ( 0.0089286 0.5033495 0.4193401), wk = 0.0035587 k( 189) = ( 0.0178571 0.4919753 0.4338001), wk = 0.0035587 k( 190) = ( 0.0267857 0.4806011 0.4482601), wk = 0.0035587 k( 191) = ( 0.0357143 0.4692269 0.4627201), wk = 0.0035587 k( 192) = ( 0.0446429 0.4578527 0.4771801), wk = 0.0035587 k( 193) = ( 0.0535714 0.4464785 0.4916401), wk = 0.0035587 k( 194) = ( 0.0625000 0.4351043 0.5061001), wk = 0.0035587 k( 195) = ( 0.0714286 0.4237301 0.5205601), wk = 0.0035587 k( 196) = ( 0.0803571 0.4123559 0.5350201), wk = 0.0035587 k( 197) = ( 0.0892857 0.4009817 0.5494801), wk = 0.0035587 k( 198) = ( 0.0982143 0.3896075 0.5639401), wk = 0.0035587 k( 199) = ( 0.1071429 0.3782333 0.5784001), wk = 0.0035587 k( 200) = ( 0.1160714 0.3668592 0.5928601), wk = 0.0035587 k( 201) = ( 0.1250000 0.3554850 0.6073201), wk = 0.0035587 k( 202) = ( 0.1339286 0.3441108 0.6217801), wk = 0.0035587 k( 203) = ( 0.1428571 0.3327366 0.6362401), wk = 0.0035587 k( 204) = ( 0.1517857 0.3213624 0.6507001), wk = 0.0035587 k( 205) = ( 0.1607143 0.3099882 0.6651601), wk = 0.0035587 k( 206) = ( 0.1696429 0.2986140 0.6796201), wk = 0.0035587 k( 207) = ( 0.1785714 0.2872398 0.6940801), wk = 0.0035587 k( 208) = ( 0.1875000 0.2758656 0.7085401), wk = 0.0035587 k( 209) = ( 0.1964286 0.2644914 0.7230001), wk = 0.0035587 k( 210) = ( 0.2053571 0.2531172 0.7374601), wk = 0.0035587 k( 211) = ( 0.2142857 0.2417430 0.7519201), wk = 0.0035587 k( 212) = ( 0.2232143 0.2303688 0.7663801), wk = 0.0035587 k( 213) = ( 0.2321429 0.2189946 0.7808401), wk = 0.0035587 k( 214) = ( 0.2410714 0.2076204 0.7953001), wk = 0.0035587 k( 215) = ( 0.2500000 0.1962463 0.8097601), wk = 0.0035587 k( 216) = ( 0.2500000 0.1962463 0.8097601), wk = 0.0035587 k( 217) = ( 0.2625000 0.2060586 0.7972857), wk = 0.0035587 k( 218) = ( 0.2750000 0.2158709 0.7848114), wk = 0.0035587 k( 219) = ( 0.2875000 0.2256832 0.7723370), wk = 0.0035587 k( 220) = ( 0.3000000 0.2354955 0.7598626), wk = 0.0035587 k( 221) = ( 0.3125000 0.2453078 0.7473882), wk = 0.0035587 k( 222) = ( 0.3250000 0.2551201 0.7349138), wk = 0.0035587 k( 223) = ( 0.3375000 0.2649324 0.7224394), wk = 0.0035587 k( 224) = ( 0.3500000 0.2747448 0.7099650), wk = 0.0035587 k( 225) = ( 0.3625000 0.2845571 0.6974907), wk = 0.0035587 k( 226) = ( 0.3750000 0.2943694 0.6850163), wk = 0.0035587 k( 227) = ( 0.3875000 0.3041817 0.6725419), wk = 0.0035587 k( 228) = ( 0.4000000 0.3139940 0.6600675), wk = 0.0035587 k( 229) = ( 0.4125000 0.3238063 0.6475931), wk = 0.0035587 k( 230) = ( 0.4250000 0.3336186 0.6351187), wk = 0.0035587 k( 231) = ( 0.4375000 0.3434309 0.6226444), wk = 0.0035587 k( 232) = ( 0.4500000 0.3532433 0.6101700), wk = 0.0035587 k( 233) = ( 0.4625000 0.3630556 0.5976956), wk = 0.0035587 k( 234) = ( 0.4750000 0.3728679 0.5852212), wk = 0.0035587 k( 235) = ( 0.4875000 0.3826802 0.5727468), wk = 0.0035587 k( 236) = ( 0.5000000 0.3924925 0.5602724), wk = 0.0035587 k( 237) = ( 0.5000000 0.3924925 0.5602724), wk = 0.0035587 k( 238) = ( 0.5000000 0.3924925 0.5395216), wk = 0.0035587 k( 239) = ( 0.5000000 0.3924925 0.5187708), wk = 0.0035587 k( 240) = ( 0.5000000 0.3924925 0.4980199), wk = 0.0035587 k( 241) = ( 0.5000000 0.3924925 0.4772691), wk = 0.0035587 k( 242) = ( 0.5000000 0.3924925 0.4565183), wk = 0.0035587 k( 243) = ( 0.5000000 0.3924925 0.4357675), wk = 0.0035587 k( 244) = ( 0.5000000 0.3924925 0.4150166), wk = 0.0035587 k( 245) = ( 0.5000000 0.3924925 0.3942658), wk = 0.0035587 k( 246) = ( 0.5000000 0.3924925 0.3735150), wk = 0.0035587 k( 247) = ( 0.5000000 0.3924925 0.3527641), wk = 0.0035587 k( 248) = ( 0.5000000 0.3924925 0.3320133), wk = 0.0035587 k( 249) = ( 0.5000000 0.3924925 0.3112625), wk = 0.0035587 k( 250) = ( 0.5000000 0.3924925 0.2905116), wk = 0.0035587 k( 251) = ( 0.5000000 0.3924925 0.2697608), wk = 0.0035587 k( 252) = ( 0.5000000 0.3924925 0.2490100), wk = 0.0035587 k( 253) = ( 0.5000000 0.3924925 0.2282591), wk = 0.0035587 k( 254) = ( 0.5000000 0.3924925 0.2075083), wk = 0.0035587 k( 255) = ( 0.5000000 0.3924925 0.1867575), wk = 0.0035587 k( 256) = ( 0.5000000 0.3924925 0.1660066), wk = 0.0035587 k( 257) = ( 0.5000000 0.3924925 0.1452558), wk = 0.0035587 k( 258) = ( 0.5000000 0.3924925 0.1245050), wk = 0.0035587 k( 259) = ( 0.5000000 0.3924925 0.1037542), wk = 0.0035587 k( 260) = ( 0.5000000 0.3924925 0.0830033), wk = 0.0035587 k( 261) = ( 0.5000000 0.3924925 0.0622525), wk = 0.0035587 k( 262) = ( 0.5000000 0.3924925 0.0415017), wk = 0.0035587 k( 263) = ( 0.5000000 0.3924925 0.0207508), wk = 0.0035587 k( 264) = ( 0.5000000 0.3924925 -0.0000000), wk = 0.0035587 k( 265) = ( 0.0000000 0.0000000 0.8097601), wk = 0.0035587 k( 266) = ( 0.0156250 0.0122654 0.8097601), wk = 0.0035587 k( 267) = ( 0.0312500 0.0245308 0.8097601), wk = 0.0035587 k( 268) = ( 0.0468750 0.0367962 0.8097601), wk = 0.0035587 k( 269) = ( 0.0625000 0.0490616 0.8097601), wk = 0.0035587 k( 270) = ( 0.0781250 0.0613270 0.8097601), wk = 0.0035587 k( 271) = ( 0.0937500 0.0735923 0.8097601), wk = 0.0035587 k( 272) = ( 0.1093750 0.0858577 0.8097601), wk = 0.0035587 k( 273) = ( 0.1250000 0.0981231 0.8097601), wk = 0.0035587 k( 274) = ( 0.1406250 0.1103885 0.8097601), wk = 0.0035587 k( 275) = ( 0.1562500 0.1226539 0.8097601), wk = 0.0035587 k( 276) = ( 0.1718750 0.1349193 0.8097601), wk = 0.0035587 k( 277) = ( 0.1875000 0.1471847 0.8097601), wk = 0.0035587 k( 278) = ( 0.2031250 0.1594501 0.8097601), wk = 0.0035587 k( 279) = ( 0.2187500 0.1717155 0.8097601), wk = 0.0035587 k( 280) = ( 0.2343750 0.1839809 0.8097601), wk = 0.0035587 k( 281) = ( 0.2500000 0.1962463 0.8097601), wk = 0.0035587 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0035587 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035587 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0035587 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035587 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035587 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035587 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0035587 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035587 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0035587 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035587 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0035587 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035587 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0035587 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035587 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035587 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035587 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0035587 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035587 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0035587 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035587 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0035587 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035587 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0035587 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035587 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035587 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035587 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0035587 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035587 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0035587 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035587 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0035587 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035587 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0035587 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035587 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035587 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035587 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0035587 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035587 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0035587 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 43) = ( -0.0118500 0.0118500 0.5000000), wk = 0.0035587 k( 44) = ( -0.0237001 0.0237001 0.5000000), wk = 0.0035587 k( 45) = ( -0.0355501 0.0355501 0.5000000), wk = 0.0035587 k( 46) = ( -0.0474001 0.0474001 0.5000000), wk = 0.0035587 k( 47) = ( -0.0592501 0.0592501 0.5000000), wk = 0.0035587 k( 48) = ( -0.0711002 0.0711002 0.5000000), wk = 0.0035587 k( 49) = ( -0.0829502 0.0829502 0.5000000), wk = 0.0035587 k( 50) = ( -0.0948002 0.0948002 0.5000000), wk = 0.0035587 k( 51) = ( -0.1066503 0.1066503 0.5000000), wk = 0.0035587 k( 52) = ( -0.1185003 0.1185003 0.5000000), wk = 0.0035587 k( 53) = ( -0.1303503 0.1303503 0.5000000), wk = 0.0035587 k( 54) = ( -0.1422003 0.1422003 0.5000000), wk = 0.0035587 k( 55) = ( -0.1540504 0.1540504 0.5000000), wk = 0.0035587 k( 56) = ( -0.1540504 0.1540504 0.5000000), wk = 0.0035587 k( 57) = ( -0.1626991 0.1626991 0.4913513), wk = 0.0035587 k( 58) = ( -0.1713478 0.1713478 0.4827025), wk = 0.0035587 k( 59) = ( -0.1799966 0.1799966 0.4740538), wk = 0.0035587 k( 60) = ( -0.1886453 0.1886453 0.4654050), wk = 0.0035587 k( 61) = ( -0.1972941 0.1972941 0.4567563), wk = 0.0035587 k( 62) = ( -0.2059428 0.2059428 0.4481076), wk = 0.0035587 k( 63) = ( -0.2145915 0.2145915 0.4394588), wk = 0.0035587 k( 64) = ( -0.2232403 0.2232403 0.4308101), wk = 0.0035587 k( 65) = ( -0.2318890 0.2318890 0.4221613), wk = 0.0035587 k( 66) = ( -0.2405378 0.2405378 0.4135126), wk = 0.0035587 k( 67) = ( -0.2491865 0.2491865 0.4048639), wk = 0.0035587 k( 68) = ( -0.2578353 0.2578353 0.3962151), wk = 0.0035587 k( 69) = ( -0.2664840 0.2664840 0.3875664), wk = 0.0035587 k( 70) = ( -0.2751327 0.2751327 0.3789176), wk = 0.0035587 k( 71) = ( -0.2837815 0.2837815 0.3702689), wk = 0.0035587 k( 72) = ( -0.2924302 0.2924302 0.3616201), wk = 0.0035587 k( 73) = ( -0.3010790 0.3010790 0.3529714), wk = 0.0035587 k( 74) = ( -0.3097277 0.3097277 0.3443227), wk = 0.0035587 k( 75) = ( -0.3183764 0.3183764 0.3356739), wk = 0.0035587 k( 76) = ( -0.3270252 0.3270252 0.3270252), wk = 0.0035587 k( 77) = ( -0.3270252 0.3270252 0.3270252), wk = 0.0035587 k( 78) = ( -0.3181867 0.3181867 0.3181867), wk = 0.0035587 k( 79) = ( -0.3093481 0.3093481 0.3093482), wk = 0.0035587 k( 80) = ( -0.3005096 0.3005096 0.3005096), wk = 0.0035587 k( 81) = ( -0.2916711 0.2916711 0.2916711), wk = 0.0035587 k( 82) = ( -0.2828326 0.2828326 0.2828326), wk = 0.0035587 k( 83) = ( -0.2739941 0.2739941 0.2739941), wk = 0.0035587 k( 84) = ( -0.2651556 0.2651556 0.2651555), wk = 0.0035587 k( 85) = ( -0.2563170 0.2563170 0.2563170), wk = 0.0035587 k( 86) = ( -0.2474785 0.2474785 0.2474785), wk = 0.0035587 k( 87) = ( -0.2386400 0.2386400 0.2386400), wk = 0.0035587 k( 88) = ( -0.2298015 0.2298015 0.2298015), wk = 0.0035587 k( 89) = ( -0.2209630 0.2209630 0.2209630), wk = 0.0035587 k( 90) = ( -0.2121244 0.2121244 0.2121244), wk = 0.0035587 k( 91) = ( -0.2032859 0.2032859 0.2032859), wk = 0.0035587 k( 92) = ( -0.1944474 0.1944474 0.1944474), wk = 0.0035587 k( 93) = ( -0.1856089 0.1856089 0.1856089), wk = 0.0035587 k( 94) = ( -0.1767704 0.1767704 0.1767704), wk = 0.0035587 k( 95) = ( -0.1679318 0.1679318 0.1679318), wk = 0.0035587 k( 96) = ( -0.1590933 0.1590933 0.1590933), wk = 0.0035587 k( 97) = ( -0.1502548 0.1502548 0.1502548), wk = 0.0035587 k( 98) = ( -0.1414163 0.1414163 0.1414163), wk = 0.0035587 k( 99) = ( -0.1325778 0.1325778 0.1325778), wk = 0.0035587 k( 100) = ( -0.1237393 0.1237393 0.1237393), wk = 0.0035587 k( 101) = ( -0.1149007 0.1149007 0.1149007), wk = 0.0035587 k( 102) = ( -0.1060622 0.1060622 0.1060622), wk = 0.0035587 k( 103) = ( -0.0972237 0.0972237 0.0972237), wk = 0.0035587 k( 104) = ( -0.0883852 0.0883852 0.0883852), wk = 0.0035587 k( 105) = ( -0.0795467 0.0795467 0.0795467), wk = 0.0035587 k( 106) = ( -0.0707081 0.0707081 0.0707081), wk = 0.0035587 k( 107) = ( -0.0618696 0.0618696 0.0618696), wk = 0.0035587 k( 108) = ( -0.0530311 0.0530311 0.0530311), wk = 0.0035587 k( 109) = ( -0.0441926 0.0441926 0.0441926), wk = 0.0035587 k( 110) = ( -0.0353541 0.0353541 0.0353541), wk = 0.0035587 k( 111) = ( -0.0265156 0.0265156 0.0265156), wk = 0.0035587 k( 112) = ( -0.0176770 0.0176770 0.0176770), wk = 0.0035587 k( 113) = ( -0.0088385 0.0088385 0.0088385), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 116) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0035587 k( 117) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0035587 k( 118) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0035587 k( 119) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0035587 k( 120) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0035587 k( 121) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0035587 k( 122) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0035587 k( 123) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0035587 k( 124) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0035587 k( 125) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0035587 k( 126) = ( 0.1774194 0.1774193 -0.1774193), wk = 0.0035587 k( 127) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0035587 k( 128) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0035587 k( 129) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0035587 k( 130) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0035587 k( 131) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0035587 k( 132) = ( 0.2741936 0.2741936 -0.2741935), wk = 0.0035587 k( 133) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0035587 k( 134) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0035587 k( 135) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0035587 k( 136) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0035587 k( 137) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0035587 k( 138) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0035587 k( 139) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0035587 k( 140) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0035587 k( 141) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0035587 k( 142) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0035587 k( 143) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0035587 k( 144) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0035587 k( 145) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0035587 k( 146) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 148) = ( 0.4913513 0.5086487 -0.4913513), wk = 0.0035587 k( 149) = ( 0.4827025 0.5172975 -0.4827025), wk = 0.0035587 k( 150) = ( 0.4740538 0.5259462 -0.4740538), wk = 0.0035587 k( 151) = ( 0.4654050 0.5345950 -0.4654050), wk = 0.0035587 k( 152) = ( 0.4567563 0.5432437 -0.4567563), wk = 0.0035587 k( 153) = ( 0.4481076 0.5518924 -0.4481076), wk = 0.0035587 k( 154) = ( 0.4394588 0.5605412 -0.4394588), wk = 0.0035587 k( 155) = ( 0.4308101 0.5691899 -0.4308101), wk = 0.0035587 k( 156) = ( 0.4221613 0.5778387 -0.4221613), wk = 0.0035587 k( 157) = ( 0.4135126 0.5864874 -0.4135126), wk = 0.0035587 k( 158) = ( 0.4048639 0.5951361 -0.4048639), wk = 0.0035587 k( 159) = ( 0.3962151 0.6037849 -0.3962151), wk = 0.0035587 k( 160) = ( 0.3875664 0.6124336 -0.3875664), wk = 0.0035587 k( 161) = ( 0.3789176 0.6210824 -0.3789176), wk = 0.0035587 k( 162) = ( 0.3702689 0.6297311 -0.3702689), wk = 0.0035587 k( 163) = ( 0.3616201 0.6383798 -0.3616201), wk = 0.0035587 k( 164) = ( 0.3529714 0.6470286 -0.3529714), wk = 0.0035587 k( 165) = ( 0.3443227 0.6556773 -0.3443227), wk = 0.0035587 k( 166) = ( 0.3356739 0.6643261 -0.3356739), wk = 0.0035587 k( 167) = ( 0.3270252 0.6729748 -0.3270252), wk = 0.0035587 k( 168) = ( 0.3270252 0.6729748 -0.3270252), wk = 0.0035587 k( 169) = ( 0.3088571 0.6633651 -0.3088571), wk = 0.0035587 k( 170) = ( 0.2906891 0.6537554 -0.2906890), wk = 0.0035587 k( 171) = ( 0.2725210 0.6441457 -0.2725210), wk = 0.0035587 k( 172) = ( 0.2543529 0.6345360 -0.2543529), wk = 0.0035587 k( 173) = ( 0.2361849 0.6249263 -0.2361849), wk = 0.0035587 k( 174) = ( 0.2180168 0.6153165 -0.2180168), wk = 0.0035587 k( 175) = ( 0.1998487 0.6057068 -0.1998487), wk = 0.0035587 k( 176) = ( 0.1816807 0.5960971 -0.1816807), wk = 0.0035587 k( 177) = ( 0.1635126 0.5864874 -0.1635126), wk = 0.0035587 k( 178) = ( 0.1453445 0.5768777 -0.1453445), wk = 0.0035587 k( 179) = ( 0.1271765 0.5672680 -0.1271765), wk = 0.0035587 k( 180) = ( 0.1090084 0.5576583 -0.1090084), wk = 0.0035587 k( 181) = ( 0.0908403 0.5480486 -0.0908403), wk = 0.0035587 k( 182) = ( 0.0726723 0.5384388 -0.0726723), wk = 0.0035587 k( 183) = ( 0.0545042 0.5288291 -0.0545042), wk = 0.0035587 k( 184) = ( 0.0363361 0.5192194 -0.0363361), wk = 0.0035587 k( 185) = ( 0.0181681 0.5096097 -0.0181681), wk = 0.0035587 k( 186) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035587 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035587 k( 188) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0035587 k( 189) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0035587 k( 190) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0035587 k( 191) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0035587 k( 192) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0035587 k( 193) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0035587 k( 194) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0035587 k( 195) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0035587 k( 196) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0035587 k( 197) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0035587 k( 198) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0035587 k( 199) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0035587 k( 200) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0035587 k( 201) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0035587 k( 202) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0035587 k( 203) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0035587 k( 204) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0035587 k( 205) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0035587 k( 206) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0035587 k( 207) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0035587 k( 208) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0035587 k( 209) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0035587 k( 210) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0035587 k( 211) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0035587 k( 212) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0035587 k( 213) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0035587 k( 214) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0035587 k( 215) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 k( 216) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 k( 217) = ( 0.2625000 0.2625000 0.2297975), wk = 0.0035587 k( 218) = ( 0.2750000 0.2750000 0.2095950), wk = 0.0035587 k( 219) = ( 0.2875000 0.2875000 0.1893924), wk = 0.0035587 k( 220) = ( 0.3000000 0.3000000 0.1691899), wk = 0.0035587 k( 221) = ( 0.3125000 0.3125000 0.1489874), wk = 0.0035587 k( 222) = ( 0.3250000 0.3250000 0.1287849), wk = 0.0035587 k( 223) = ( 0.3375000 0.3375000 0.1085824), wk = 0.0035587 k( 224) = ( 0.3500000 0.3500000 0.0883798), wk = 0.0035587 k( 225) = ( 0.3625000 0.3625000 0.0681773), wk = 0.0035587 k( 226) = ( 0.3750000 0.3750000 0.0479748), wk = 0.0035587 k( 227) = ( 0.3875000 0.3875000 0.0277723), wk = 0.0035587 k( 228) = ( 0.4000000 0.4000000 0.0075698), wk = 0.0035587 k( 229) = ( 0.4125000 0.4125000 -0.0126327), wk = 0.0035587 k( 230) = ( 0.4250000 0.4250000 -0.0328353), wk = 0.0035587 k( 231) = ( 0.4375000 0.4375000 -0.0530378), wk = 0.0035587 k( 232) = ( 0.4500000 0.4500000 -0.0732403), wk = 0.0035587 k( 233) = ( 0.4625000 0.4625000 -0.0934428), wk = 0.0035587 k( 234) = ( 0.4750000 0.4750000 -0.1136453), wk = 0.0035587 k( 235) = ( 0.4875000 0.4875000 -0.1338478), wk = 0.0035587 k( 236) = ( 0.5000000 0.5000000 -0.1540504), wk = 0.0035587 k( 237) = ( 0.5000000 0.5000000 -0.1540504), wk = 0.0035587 k( 238) = ( 0.5000000 0.5000000 -0.1668633), wk = 0.0035587 k( 239) = ( 0.5000000 0.5000000 -0.1796763), wk = 0.0035587 k( 240) = ( 0.5000000 0.5000000 -0.1924892), wk = 0.0035587 k( 241) = ( 0.5000000 0.5000000 -0.2053022), wk = 0.0035587 k( 242) = ( 0.5000000 0.5000000 -0.2181151), wk = 0.0035587 k( 243) = ( 0.5000000 0.5000000 -0.2309281), wk = 0.0035587 k( 244) = ( 0.5000000 0.5000000 -0.2437410), wk = 0.0035587 k( 245) = ( 0.5000000 0.5000000 -0.2565540), wk = 0.0035587 k( 246) = ( 0.5000000 0.5000000 -0.2693669), wk = 0.0035587 k( 247) = ( 0.5000000 0.5000000 -0.2821799), wk = 0.0035587 k( 248) = ( 0.5000000 0.5000000 -0.2949928), wk = 0.0035587 k( 249) = ( 0.5000000 0.5000000 -0.3078058), wk = 0.0035587 k( 250) = ( 0.5000000 0.5000000 -0.3206187), wk = 0.0035587 k( 251) = ( 0.5000000 0.5000000 -0.3334317), wk = 0.0035587 k( 252) = ( 0.5000000 0.5000000 -0.3462446), wk = 0.0035587 k( 253) = ( 0.5000000 0.5000000 -0.3590576), wk = 0.0035587 k( 254) = ( 0.5000000 0.5000000 -0.3718705), wk = 0.0035587 k( 255) = ( 0.5000000 0.5000000 -0.3846835), wk = 0.0035587 k( 256) = ( 0.5000000 0.5000000 -0.3974964), wk = 0.0035587 k( 257) = ( 0.5000000 0.5000000 -0.4103093), wk = 0.0035587 k( 258) = ( 0.5000000 0.5000000 -0.4231223), wk = 0.0035587 k( 259) = ( 0.5000000 0.5000000 -0.4359352), wk = 0.0035587 k( 260) = ( 0.5000000 0.5000000 -0.4487482), wk = 0.0035587 k( 261) = ( 0.5000000 0.5000000 -0.4615611), wk = 0.0035587 k( 262) = ( 0.5000000 0.5000000 -0.4743741), wk = 0.0035587 k( 263) = ( 0.5000000 0.5000000 -0.4871870), wk = 0.0035587 k( 264) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035587 k( 265) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 266) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0035587 k( 267) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0035587 k( 268) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0035587 k( 269) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0035587 k( 270) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0035587 k( 271) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0035587 k( 272) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0035587 k( 273) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035587 k( 274) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0035587 k( 275) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0035587 k( 276) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0035587 k( 277) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0035587 k( 278) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0035587 k( 279) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0035587 k( 280) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0035587 k( 281) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035587 Dense grid: 46605 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 262, 62) NL pseudopotentials 0.54 Mb ( 131, 272) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 970) G-vector shells 0.00 Mb ( 460) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 262, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.51 Mb ( 272, 2, 62) The potential is recalculated from file : ./AlAgS2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.4 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 57.2 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.2 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.4 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.4 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.5 secs Computing kpt #: 7 total cpu time spent up to now is 95.5 secs Computing kpt #: 8 total cpu time spent up to now is 100.2 secs Computing kpt #: 9 total cpu time spent up to now is 104.9 secs Computing kpt #: 10 total cpu time spent up to now is 109.7 secs Computing kpt #: 11 total cpu time spent up to now is 114.6 secs Computing kpt #: 12 total cpu time spent up to now is 119.3 secs Computing kpt #: 13 total cpu time spent up to now is 123.7 secs Computing kpt #: 14 total cpu time spent up to now is 128.0 secs Computing kpt #: 15 total cpu time spent up to now is 132.3 secs Computing kpt #: 16 total cpu time spent up to now is 136.5 secs Computing kpt #: 17 total cpu time spent up to now is 141.0 secs Computing kpt #: 18 total cpu time spent up to now is 145.7 secs Computing kpt #: 19 total cpu time spent up to now is 152.7 secs Computing kpt #: 20 total cpu time spent up to now is 157.4 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.4 secs Computing kpt #: 22 total cpu time spent up to now is 171.0 secs Computing kpt #: 23 total cpu time spent up to now is 176.6 secs Computing kpt #: 24 total cpu time spent up to now is 185.7 secs Computing kpt #: 25 total cpu time spent up to now is 191.1 secs Computing kpt #: 26 total cpu time spent up to now is 196.0 secs Computing kpt #: 27 total cpu time spent up to now is 201.4 secs Computing kpt #: 28 total cpu time spent up to now is 206.4 secs Computing kpt #: 29 total cpu time spent up to now is 213.3 secs Computing kpt #: 30 total cpu time spent up to now is 219.9 secs Computing kpt #: 31 total cpu time spent up to now is 225.9 secs Computing kpt #: 32 total cpu time spent up to now is 231.3 secs Computing kpt #: 33 total cpu time spent up to now is 239.1 secs Computing kpt #: 34 total cpu time spent up to now is 245.2 secs Computing kpt #: 35 total cpu time spent up to now is 250.5 secs Computing kpt #: 36 total cpu time spent up to now is 255.2 secs Computing kpt #: 37 total cpu time spent up to now is 260.0 secs Computing kpt #: 38 total cpu time spent up to now is 269.1 secs Computing kpt #: 39 total cpu time spent up to now is 274.0 secs Computing kpt #: 40 total cpu time spent up to now is 279.0 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.5 secs Computing kpt #: 42 total cpu time spent up to now is 297.0 secs Computing kpt #: 43 total cpu time spent up to now is 304.3 secs Computing kpt #: 44 total cpu time spent up to now is 311.1 secs Computing kpt #: 45 total cpu time spent up to now is 318.2 secs Computing kpt #: 46 total cpu time spent up to now is 327.3 secs Computing kpt #: 47 total cpu time spent up to now is 332.5 secs Computing kpt #: 48 total cpu time spent up to now is 337.8 secs Computing kpt #: 49 total cpu time spent up to now is 343.3 secs Computing kpt #: 50 total cpu time spent up to now is 353.1 secs Computing kpt #: 51 total cpu time spent up to now is 358.3 secs Computing kpt #: 52 total cpu time spent up to now is 364.7 secs Computing kpt #: 53 total cpu time spent up to now is 369.8 secs Computing kpt #: 54 total cpu time spent up to now is 376.1 secs Computing kpt #: 55 total cpu time spent up to now is 383.4 secs Computing kpt #: 56 total cpu time spent up to now is 388.4 secs Computing kpt #: 57 total cpu time spent up to now is 393.4 secs Computing kpt #: 58 total cpu time spent up to now is 398.4 secs Computing kpt #: 59 total cpu time spent up to now is 407.1 secs Computing kpt #: 60 total cpu time spent up to now is 412.1 secs Computing kpt #: 61 total cpu time spent up to now is 416.7 secs Computing kpt #: 62 total cpu time spent up to now is 421.6 secs Computing kpt #: 63 total cpu time spent up to now is 426.4 secs Computing kpt #: 64 total cpu time spent up to now is 434.7 secs Computing kpt #: 65 total cpu time spent up to now is 439.5 secs Computing kpt #: 66 total cpu time spent up to now is 444.2 secs Computing kpt #: 67 total cpu time spent up to now is 449.8 secs Computing kpt #: 68 total cpu time spent up to now is 457.8 secs Computing kpt #: 69 total cpu time spent up to now is 462.7 secs Computing kpt #: 70 total cpu time spent up to now is 467.2 secs Computing kpt #: 71 total cpu time spent up to now is 471.5 secs Computing kpt #: 72 total cpu time spent up to now is 475.9 secs Computing kpt #: 73 total cpu time spent up to now is 481.3 secs Computing kpt #: 74 total cpu time spent up to now is 488.2 secs Computing kpt #: 75 total cpu time spent up to now is 492.5 secs Computing kpt #: 76 total cpu time spent up to now is 496.6 secs Computing kpt #: 77 total cpu time spent up to now is 501.0 secs Computing kpt #: 78 total cpu time spent up to now is 505.8 secs Computing kpt #: 79 total cpu time spent up to now is 512.7 secs Computing kpt #: 80 total cpu time spent up to now is 517.2 secs Computing kpt #: 81 total cpu time spent up to now is 522.1 secs Computing kpt #: 82 total cpu time spent up to now is 527.1 secs Computing kpt #: 83 total cpu time spent up to now is 538.3 secs Computing kpt #: 84 total cpu time spent up to now is 544.3 secs Computing kpt #: 85 total cpu time spent up to now is 549.2 secs Computing kpt #: 86 total cpu time spent up to now is 554.4 secs Computing kpt #: 87 total cpu time spent up to now is 563.2 secs Computing kpt #: 88 total cpu time spent up to now is 567.7 secs Computing kpt #: 89 total cpu time spent up to now is 572.3 secs Computing kpt #: 90 total cpu time spent up to now is 576.7 secs Computing kpt #: 91 total cpu time spent up to now is 582.0 secs Computing kpt #: 92 total cpu time spent up to now is 589.6 secs Computing kpt #: 93 total cpu time spent up to now is 594.4 secs Computing kpt #: 94 total cpu time spent up to now is 599.2 secs Computing kpt #: 95 total cpu time spent up to now is 604.3 secs Computing kpt #: 96 total cpu time spent up to now is 610.9 secs Computing kpt #: 97 total cpu time spent up to now is 618.0 secs Computing kpt #: 98 total cpu time spent up to now is 623.8 secs Computing kpt #: 99 total cpu time spent up to now is 629.5 secs Computing kpt #: 100 total cpu time spent up to now is 635.6 secs Computing kpt #: 101 total cpu time spent up to now is 642.1 secs Computing kpt #: 102 total cpu time spent up to now is 648.7 secs Computing kpt #: 103 total cpu time spent up to now is 656.2 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.3 secs Computing kpt #: 105 total cpu time spent up to now is 670.8 secs Computing kpt #: 106 total cpu time spent up to now is 677.7 secs Computing kpt #: 107 total cpu time spent up to now is 684.2 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 692.2 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 700.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 708.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 716.4 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 724.8 secs Computing kpt #: 113 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 733.8 secs Computing kpt #: 114 total cpu time spent up to now is 739.5 secs Computing kpt #: 115 total cpu time spent up to now is 745.2 secs Computing kpt #: 116 total cpu time spent up to now is 753.0 secs Computing kpt #: 117 total cpu time spent up to now is 758.7 secs Computing kpt #: 118 total cpu time spent up to now is 764.5 secs Computing kpt #: 119 total cpu time spent up to now is 770.1 secs Computing kpt #: 120 total cpu time spent up to now is 775.9 secs Computing kpt #: 121 total cpu time spent up to now is 781.9 secs Computing kpt #: 122 total cpu time spent up to now is 786.8 secs Computing kpt #: 123 total cpu time spent up to now is 791.6 secs Computing kpt #: 124 total cpu time spent up to now is 796.2 secs Computing kpt #: 125 total cpu time spent up to now is 800.9 secs Computing kpt #: 126 total cpu time spent up to now is 805.3 secs Computing kpt #: 127 total cpu time spent up to now is 809.6 secs Computing kpt #: 128 total cpu time spent up to now is 813.8 secs Computing kpt #: 129 total cpu time spent up to now is 818.0 secs Computing kpt #: 130 total cpu time spent up to now is 822.4 secs Computing kpt #: 131 total cpu time spent up to now is 826.5 secs Computing kpt #: 132 total cpu time spent up to now is 830.8 secs Computing kpt #: 133 total cpu time spent up to now is 835.1 secs Computing kpt #: 134 total cpu time spent up to now is 839.8 secs Computing kpt #: 135 total cpu time spent up to now is 844.3 secs Computing kpt #: 136 total cpu time spent up to now is 848.8 secs Computing kpt #: 137 total cpu time spent up to now is 853.2 secs Computing kpt #: 138 total cpu time spent up to now is 857.5 secs Computing kpt #: 139 total cpu time spent up to now is 861.9 secs Computing kpt #: 140 total cpu time spent up to now is 866.2 secs Computing kpt #: 141 total cpu time spent up to now is 870.4 secs Computing kpt #: 142 total cpu time spent up to now is 874.6 secs Computing kpt #: 143 total cpu time spent up to now is 879.0 secs Computing kpt #: 144 total cpu time spent up to now is 883.6 secs Computing kpt #: 145 total cpu time spent up to now is 888.4 secs Computing kpt #: 146 total cpu time spent up to now is 892.3 secs Computing kpt #: 147 total cpu time spent up to now is 896.2 secs Computing kpt #: 148 total cpu time spent up to now is 901.3 secs Computing kpt #: 149 total cpu time spent up to now is 906.2 secs Computing kpt #: 150 total cpu time spent up to now is 910.9 secs Computing kpt #: 151 total cpu time spent up to now is 915.4 secs Computing kpt #: 152 total cpu time spent up to now is 919.8 secs Computing kpt #: 153 total cpu time spent up to now is 924.4 secs Computing kpt #: 154 total cpu time spent up to now is 928.8 secs Computing kpt #: 155 total cpu time spent up to now is 933.4 secs Computing kpt #: 156 total cpu time spent up to now is 937.9 secs Computing kpt #: 157 total cpu time spent up to now is 942.4 secs Computing kpt #: 158 total cpu time spent up to now is 946.8 secs Computing kpt #: 159 total cpu time spent up to now is 951.2 secs Computing kpt #: 160 total cpu time spent up to now is 955.7 secs Computing kpt #: 161 total cpu time spent up to now is 960.3 secs Computing kpt #: 162 total cpu time spent up to now is 964.9 secs Computing kpt #: 163 total cpu time spent up to now is 969.3 secs Computing kpt #: 164 total cpu time spent up to now is 973.4 secs Computing kpt #: 165 total cpu time spent up to now is 977.6 secs Computing kpt #: 166 total cpu time spent up to now is 981.7 secs Computing kpt #: 167 total cpu time spent up to now is 986.6 secs Computing kpt #: 168 total cpu time spent up to now is 990.8 secs Computing kpt #: 169 total cpu time spent up to now is 995.4 secs Computing kpt #: 170 total cpu time spent up to now is 999.7 secs Computing kpt #: 171 total cpu time spent up to now is 1004.2 secs Computing kpt #: 172 total cpu time spent up to now is 1008.7 secs Computing kpt #: 173 total cpu time spent up to now is 1013.2 secs Computing kpt #: 174 total cpu time spent up to now is 1017.6 secs Computing kpt #: 175 total cpu time spent up to now is 1022.1 secs Computing kpt #: 176 total cpu time spent up to now is 1026.9 secs Computing kpt #: 177 total cpu time spent up to now is 1031.6 secs Computing kpt #: 178 total cpu time spent up to now is 1036.0 secs Computing kpt #: 179 total cpu time spent up to now is 1040.4 secs Computing kpt #: 180 total cpu time spent up to now is 1044.7 secs Computing kpt #: 181 total cpu time spent up to now is 1051.5 secs Computing kpt #: 182 total cpu time spent up to now is 1056.1 secs Computing kpt #: 183 total cpu time spent up to now is 1060.6 secs Computing kpt #: 184 total cpu time spent up to now is 1065.5 secs Computing kpt #: 185 total cpu time spent up to now is 1070.4 secs Computing kpt #: 186 total cpu time spent up to now is 1075.2 secs Computing kpt #: 187 total cpu time spent up to now is 1080.2 secs Computing kpt #: 188 total cpu time spent up to now is 1085.2 secs Computing kpt #: 189 total cpu time spent up to now is 1090.1 secs Computing kpt #: 190 total cpu time spent up to now is 1095.1 secs Computing kpt #: 191 total cpu time spent up to now is 1100.4 secs Computing kpt #: 192 total cpu time spent up to now is 1105.4 secs Computing kpt #: 193 total cpu time spent up to now is 1110.0 secs Computing kpt #: 194 total cpu time spent up to now is 1114.5 secs Computing kpt #: 195 total cpu time spent up to now is 1118.9 secs Computing kpt #: 196 total cpu time spent up to now is 1123.5 secs Computing kpt #: 197 total cpu time spent up to now is 1127.9 secs Computing kpt #: 198 total cpu time spent up to now is 1132.1 secs Computing kpt #: 199 total cpu time spent up to now is 1136.5 secs Computing kpt #: 200 total cpu time spent up to now is 1140.9 secs Computing kpt #: 201 total cpu time spent up to now is 1145.3 secs Computing kpt #: 202 total cpu time spent up to now is 1150.0 secs Computing kpt #: 203 total cpu time spent up to now is 1154.9 secs Computing kpt #: 204 total cpu time spent up to now is 1159.1 secs Computing kpt #: 205 total cpu time spent up to now is 1163.8 secs Computing kpt #: 206 total cpu time spent up to now is 1168.4 secs Computing kpt #: 207 total cpu time spent up to now is 1172.5 secs Computing kpt #: 208 total cpu time spent up to now is 1177.1 secs Computing kpt #: 209 total cpu time spent up to now is 1181.2 secs Computing kpt #: 210 total cpu time spent up to now is 1185.6 secs Computing kpt #: 211 total cpu time spent up to now is 1190.0 secs Computing kpt #: 212 total cpu time spent up to now is 1194.5 secs Computing kpt #: 213 total cpu time spent up to now is 1199.3 secs Computing kpt #: 214 total cpu time spent up to now is 1206.2 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1213.9 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1221.6 secs Computing kpt #: 217 total cpu time spent up to now is 1228.8 secs Computing kpt #: 218 total cpu time spent up to now is 1234.3 secs Computing kpt #: 219 total cpu time spent up to now is 1239.3 secs Computing kpt #: 220 total cpu time spent up to now is 1243.7 secs Computing kpt #: 221 total cpu time spent up to now is 1248.2 secs Computing kpt #: 222 total cpu time spent up to now is 1252.6 secs Computing kpt #: 223 total cpu time spent up to now is 1256.8 secs Computing kpt #: 224 total cpu time spent up to now is 1261.0 secs Computing kpt #: 225 total cpu time spent up to now is 1265.4 secs Computing kpt #: 226 total cpu time spent up to now is 1269.7 secs Computing kpt #: 227 total cpu time spent up to now is 1273.8 secs Computing kpt #: 228 total cpu time spent up to now is 1278.6 secs Computing kpt #: 229 total cpu time spent up to now is 1282.8 secs Computing kpt #: 230 total cpu time spent up to now is 1287.0 secs Computing kpt #: 231 total cpu time spent up to now is 1291.3 secs Computing kpt #: 232 total cpu time spent up to now is 1295.9 secs Computing kpt #: 233 total cpu time spent up to now is 1300.4 secs Computing kpt #: 234 total cpu time spent up to now is 1304.9 secs Computing kpt #: 235 total cpu time spent up to now is 1309.9 secs Computing kpt #: 236 total cpu time spent up to now is 1314.9 secs Computing kpt #: 237 total cpu time spent up to now is 1319.9 secs Computing kpt #: 238 total cpu time spent up to now is 1325.1 secs Computing kpt #: 239 total cpu time spent up to now is 1330.2 secs Computing kpt #: 240 total cpu time spent up to now is 1335.2 secs Computing kpt #: 241 total cpu time spent up to now is 1340.3 secs Computing kpt #: 242 total cpu time spent up to now is 1344.9 secs Computing kpt #: 243 total cpu time spent up to now is 1351.8 secs Computing kpt #: 244 total cpu time spent up to now is 1357.1 secs Computing kpt #: 245 total cpu time spent up to now is 1362.1 secs Computing kpt #: 246 total cpu time spent up to now is 1367.2 secs Computing kpt #: 247 total cpu time spent up to now is 1372.1 secs Computing kpt #: 248 total cpu time spent up to now is 1377.0 secs Computing kpt #: 249 total cpu time spent up to now is 1382.1 secs Computing kpt #: 250 total cpu time spent up to now is 1387.1 secs Computing kpt #: 251 total cpu time spent up to now is 1391.7 secs Computing kpt #: 252 total cpu time spent up to now is 1396.7 secs Computing kpt #: 253 total cpu time spent up to now is 1401.6 secs Computing kpt #: 254 total cpu time spent up to now is 1406.5 secs Computing kpt #: 255 total cpu time spent up to now is 1411.4 secs Computing kpt #: 256 total cpu time spent up to now is 1416.4 secs Computing kpt #: 257 total cpu time spent up to now is 1421.3 secs Computing kpt #: 258 total cpu time spent up to now is 1426.3 secs Computing kpt #: 259 total cpu time spent up to now is 1431.2 secs Computing kpt #: 260 total cpu time spent up to now is 1435.7 secs Computing kpt #: 261 total cpu time spent up to now is 1440.5 secs Computing kpt #: 262 total cpu time spent up to now is 1445.5 secs Computing kpt #: 263 total cpu time spent up to now is 1450.4 secs Computing kpt #: 264 total cpu time spent up to now is 1454.3 secs Computing kpt #: 265 total cpu time spent up to now is 1461.4 secs Computing kpt #: 266 total cpu time spent up to now is 1468.0 secs Computing kpt #: 267 total cpu time spent up to now is 1474.5 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1482.4 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1490.4 secs Computing kpt #: 270 total cpu time spent up to now is 1495.9 secs Computing kpt #: 271 total cpu time spent up to now is 1502.8 secs Computing kpt #: 272 total cpu time spent up to now is 1509.6 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1517.6 secs Computing kpt #: 274 total cpu time spent up to now is 1524.8 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1533.0 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1540.9 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1548.7 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1556.4 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1564.4 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1572.1 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1580.0 secs ethr = 1.92E-11, avg # of iterations = 54.4 total cpu time spent up to now is 1580.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5977 PWs) bands (ev): -7.7717 -7.7717 -6.4142 -6.4142 -6.4079 -6.4079 -6.3661 -6.3661 -0.7577 -0.7577 1.2213 1.2213 1.3763 1.3763 1.4171 1.4171 1.5356 1.5356 1.5680 1.5680 1.8845 1.8845 2.0695 2.0695 2.1564 2.1564 2.3754 2.3754 2.7577 2.7577 2.8419 2.8419 3.0699 3.0699 3.2331 3.2331 3.6497 3.6497 3.6581 3.6581 4.1759 4.1759 4.2065 4.2065 4.3193 4.3193 5.3728 5.3728 5.4050 5.4050 5.6545 5.6545 7.7742 7.7742 8.5288 8.5288 9.6131 9.6131 11.2504 11.2504 11.2616 11.2616 k = 0.0000 0.0000 0.0202 ( 5953 PWs) bands (ev): -7.7710 -7.7710 -6.4147 -6.4146 -6.4084 -6.4084 -6.3661 -6.3660 -0.7571 -0.7569 1.2182 1.2236 1.3747 1.3781 1.3989 1.4077 1.5367 1.5405 1.5751 1.5752 1.8860 1.8932 2.0690 2.0716 2.1516 2.1634 2.3706 2.3807 2.7554 2.7591 2.8229 2.8599 3.0576 3.0823 3.2330 3.2342 3.6430 3.6438 3.6564 3.6682 4.1622 4.1778 4.2081 4.2103 4.3203 4.3268 5.3680 5.3709 5.4006 5.4038 5.6529 5.6550 7.7802 7.7807 8.5312 8.5347 9.6167 9.6176 11.2447 11.2453 11.2544 11.2596 k = 0.0000 0.0000 0.0405 ( 5945 PWs) bands (ev): -7.7691 -7.7691 -6.4162 -6.4161 -6.4098 -6.4098 -6.3663 -6.3659 -0.7553 -0.7548 1.2136 1.2243 1.3617 1.3737 1.3779 1.3855 1.5277 1.5420 1.5980 1.6012 1.8977 1.9107 2.0698 2.0757 2.1488 2.1723 2.3666 2.3867 2.7510 2.7599 2.8046 2.8754 3.0460 3.0942 3.2338 3.2362 3.6272 3.6353 3.6602 3.6754 4.1367 4.1772 4.2050 4.2221 4.3307 4.3392 5.3541 5.3606 5.3932 5.3984 5.6502 5.6542 7.7985 7.7994 8.5417 8.5485 9.6284 9.6301 11.1856 11.1863 11.2477 11.2487 k = 0.0000 0.0000 0.0607 ( 5939 PWs) bands (ev): -7.7659 -7.7659 -6.4189 -6.4188 -6.4120 -6.4118 -6.3664 -6.3659 -0.7521 -0.7514 1.2058 1.2212 1.3271 1.3418 1.3771 1.3863 1.5117 1.5335 1.6316 1.6333 1.9183 1.9350 2.0719 2.0826 2.1480 2.1833 2.3633 2.3931 2.7418 2.7602 2.7903 2.8874 3.0361 3.1053 3.2356 3.2391 3.6093 3.6244 3.6634 3.6790 4.1044 4.1754 4.1993 4.2385 4.3482 4.3544 5.3289 5.3391 5.3863 5.3927 5.6462 5.6514 7.8286 7.8299 8.5600 8.5698 9.6481 9.6509 11.1161 11.1170 11.2418 11.2426 k = 0.0000 0.0000 0.0810 ( 5927 PWs) bands (ev): -7.7614 -7.7614 -6.4228 -6.4228 -6.4147 -6.4144 -6.3668 -6.3660 -0.7476 -0.7467 1.1915 1.2081 1.2993 1.3113 1.3784 1.3903 1.4929 1.5201 1.6646 1.6671 1.9455 1.9638 2.0756 2.0931 2.1494 2.1963 2.3609 2.4001 2.7254 2.7598 2.7827 2.8946 3.0291 3.1155 3.2386 3.2431 3.5900 3.6107 3.6660 3.6792 4.0678 4.1650 4.2018 4.2578 4.3696 4.3717 5.2937 5.3068 5.3800 5.3877 5.6406 5.6464 7.8698 7.8713 8.5854 8.5976 9.6762 9.6802 11.0465 11.0485 11.2332 11.2338 k = 0.0000 0.0000 0.1012 ( 5927 PWs) bands (ev): -7.7557 -7.7556 -6.4281 -6.4279 -6.4178 -6.4174 -6.3672 -6.3662 -0.7418 -0.7408 1.1666 1.1793 1.2865 1.2902 1.3804 1.3947 1.4732 1.5046 1.6924 1.7011 1.9770 1.9950 2.0816 2.1078 2.1532 2.2111 2.3595 2.4076 2.7038 2.7585 2.7805 2.8962 3.0259 3.1244 3.2427 3.2482 3.5700 3.5938 3.6681 3.6759 4.0283 4.1477 4.2131 4.2790 4.3906 4.3932 5.2508 5.2658 5.3736 5.3829 5.6328 5.6389 7.9210 7.9225 8.6170 8.6310 9.7127 9.7182 10.9782 10.9810 11.2217 11.2220 k = 0.0000 0.0000 0.1215 ( 5925 PWs) bands (ev): -7.7487 -7.7486 -6.4346 -6.4342 -6.4214 -6.4208 -6.3680 -6.3667 -0.7348 -0.7336 1.1313 1.1392 1.2794 1.2851 1.3830 1.3990 1.4540 1.4892 1.7157 1.7319 2.0099 2.0266 2.0913 2.1266 2.1605 2.2279 2.3591 2.4158 2.6796 2.7558 2.7815 2.8926 3.0265 3.1320 3.2482 3.2544 3.5497 3.5736 3.6696 3.6697 3.9871 4.1281 4.2297 4.3013 4.4112 4.4181 5.2020 5.2180 5.3668 5.3777 5.6228 5.6287 7.9811 7.9826 8.6536 8.6689 9.7578 9.7650 10.9118 10.9152 11.2075 11.2075 k = 0.0000 0.0000 0.1417 ( 5925 PWs) bands (ev): -7.7405 -7.7404 -6.4422 -6.4417 -6.4254 -6.4246 -6.3689 -6.3674 -0.7266 -0.7253 1.0896 1.0943 1.2755 1.2889 1.3854 1.4022 1.4361 1.4759 1.7342 1.7585 2.0398 2.0561 2.1077 2.1475 2.1742 2.2466 2.3599 2.4246 2.6542 2.7510 2.7845 2.8855 3.0298 3.1382 3.2553 3.2616 3.5295 3.5500 3.6610 3.6700 3.9456 4.1082 4.2500 4.3241 4.4333 4.4440 5.1487 5.1652 5.3596 5.3721 5.6106 5.6161 8.0490 8.0502 8.6943 8.7101 9.8117 9.8207 10.8474 10.8513 11.1905 11.1908 k = 0.0000 0.0000 0.1620 ( 5929 PWs) bands (ev): -7.7311 -7.7310 -6.4508 -6.4501 -6.4298 -6.4289 -6.3702 -6.3683 -0.7171 -0.7157 1.0445 1.0475 1.2754 1.2950 1.3866 1.4026 1.4214 1.4668 1.7485 1.7806 2.0621 2.0814 2.1343 2.1673 2.1977 2.2671 2.3621 2.4344 2.6286 2.7435 2.7891 2.8768 3.0344 3.1431 3.2642 3.2697 3.5099 3.5231 3.6504 3.6688 3.9055 4.0894 4.2729 4.3469 4.4571 4.4707 5.0925 5.1088 5.3520 5.3660 5.5963 5.6012 8.1236 8.1245 8.7379 8.7535 9.8742 9.8852 10.7854 10.7895 11.1712 11.1719 k = 0.0000 0.0000 0.1822 ( 5923 PWs) bands (ev): -7.7205 -7.7203 -6.4604 -6.4595 -6.4347 -6.4336 -6.3717 -6.3696 -0.7065 -0.7050 0.9982 1.0002 1.2772 1.3022 1.3834 1.3990 1.4130 1.4635 1.7593 1.7981 2.0772 2.1006 2.1692 2.1876 2.2289 2.2892 2.3658 2.4454 2.6034 2.7326 2.7950 2.8683 3.0391 3.1467 3.2750 3.2786 3.4912 3.4934 3.6385 3.6647 3.8691 4.0725 4.2975 4.3691 4.4823 4.4980 5.0347 5.0502 5.3440 5.3596 5.5801 5.5843 8.2038 8.2042 8.7834 8.7983 9.9450 9.9581 10.7257 10.7300 11.1500 11.1509 k = 0.0000 0.0000 0.2024 ( 5915 PWs) bands (ev): -7.7087 -7.7085 -6.4708 -6.4699 -6.4399 -6.4387 -6.3736 -6.3712 -0.6948 -0.6933 0.9514 0.9530 1.2799 1.3095 1.3749 1.3920 1.4120 1.4657 1.7677 1.8113 2.0885 2.1143 2.2073 2.2100 2.2635 2.3121 2.3715 2.4579 2.5792 2.7178 2.8022 2.8611 3.0435 3.1489 3.2878 3.2882 3.4615 3.4738 3.6260 3.6564 3.8391 4.0580 4.3230 4.3902 4.5088 4.5257 4.9765 4.9908 5.3357 5.3527 5.5624 5.5658 8.2886 8.2887 8.8301 8.8437 10.0236 10.0387 10.6686 10.6729 11.1270 11.1279 k = 0.0000 0.0000 0.2227 ( 5915 PWs) bands (ev): -7.6958 -7.6955 -6.4822 -6.4811 -6.4454 -6.4442 -6.3758 -6.3731 -0.6819 -0.6805 0.9047 0.9062 1.2830 1.3166 1.3647 1.3838 1.4151 1.4714 1.7748 1.8209 2.0976 2.1240 2.2329 2.2446 2.2987 2.3346 2.3803 2.4719 2.5571 2.6992 2.8104 2.8555 3.0471 3.1496 3.2980 3.3027 3.4284 3.4580 3.6135 3.6426 3.8180 4.0462 4.3486 4.4095 4.5363 4.5536 4.9193 4.9318 5.3273 5.3454 5.5435 5.5459 8.3766 8.3774 8.8773 8.8893 10.1089 10.1258 10.6139 10.6181 11.1024 11.1033 k = 0.0000 0.0000 0.2429 ( 5907 PWs) bands (ev): -7.6817 -7.6815 -6.4943 -6.4931 -6.4512 -6.4500 -6.3783 -6.3754 -0.6681 -0.6667 0.8585 0.8599 1.2859 1.3227 1.3552 1.3758 1.4198 1.4790 1.7813 1.8275 2.1052 2.1313 2.2543 2.2778 2.3329 2.3547 2.3937 2.4877 2.5386 2.6772 2.8194 2.8513 3.0499 3.1488 3.3076 3.3194 3.3959 3.4442 3.6017 3.6241 3.8065 4.0374 4.3733 4.4262 4.5646 4.5810 4.8648 4.8749 5.3188 5.3379 5.5239 5.5251 8.4677 8.4691 8.9246 8.9348 10.1997 10.2181 10.5617 10.5657 11.0763 11.0770 k = 0.0000 0.0000 0.2632 ( 5917 PWs) bands (ev): -7.6666 -7.6663 -6.5071 -6.5058 -6.4573 -6.4560 -6.3811 -6.3780 -0.6533 -0.6520 0.8129 0.8145 1.2883 1.3273 1.3475 1.3690 1.4254 1.4875 1.7880 1.8320 2.1116 2.1370 2.2731 2.3035 2.3643 2.3700 2.4126 2.5048 2.5263 2.6528 2.8289 2.8481 3.0520 3.1461 3.3158 3.3374 3.3661 3.4331 3.5911 3.6032 3.8034 4.0316 4.3964 4.4392 4.5934 4.6072 4.8149 4.8217 5.3104 5.3300 5.5039 5.5039 8.5609 8.5631 8.9718 8.9801 10.2940 10.3134 10.5118 10.5156 11.0491 11.0494 k = 0.0000 0.0000 0.2834 ( 5923 PWs) bands (ev): -7.6505 -7.6501 -6.5207 -6.5193 -6.4636 -6.4623 -6.3843 -6.3810 -0.6376 -0.6364 0.7682 0.7699 1.2901 1.3298 1.3420 1.3636 1.4317 1.4963 1.7954 1.8349 2.1168 2.1418 2.2886 2.3207 2.3779 2.3915 2.4358 2.5220 2.5234 2.6277 2.8385 2.8451 3.0538 3.1414 3.3176 3.3455 3.3555 3.4258 3.5824 3.5830 3.8069 4.0289 4.4167 4.4471 4.6219 4.6300 4.7731 4.7746 5.3022 5.3221 5.4826 5.4842 8.6558 8.6586 9.0187 9.0251 10.3889 10.4090 10.4641 10.4677 11.0209 11.0213 k = 0.0000 0.0000 0.3037 ( 5921 PWs) bands (ev): -7.6334 -7.6329 -6.5349 -6.5335 -6.4701 -6.4687 -6.3878 -6.3843 -0.6210 -0.6199 0.7244 0.7263 1.2912 1.3296 1.3392 1.3599 1.4386 1.5049 1.8039 1.8369 2.1211 2.1457 2.3008 2.3306 2.3766 2.4130 2.4602 2.5312 2.5365 2.6051 2.8418 2.8481 3.0554 3.1349 3.3049 3.3436 3.3706 3.4249 3.5660 3.5760 3.8156 4.0294 4.4331 4.4486 4.6441 4.6490 4.7368 4.7460 5.2946 5.3140 5.4618 5.4653 8.7517 8.7551 9.0655 9.0699 10.4176 10.4196 10.4832 10.5014 10.9926 10.9943 k = 0.0000 0.0000 0.3239 ( 5927 PWs) bands (ev): -7.6153 -7.6147 -6.5498 -6.5483 -6.4766 -6.4752 -6.3916 -6.3880 -0.6036 -0.6027 0.6815 0.6836 1.2918 1.3269 1.3387 1.3577 1.4460 1.5130 1.8134 1.8384 2.1245 2.1487 2.3100 2.3350 2.3689 2.4266 2.4824 2.5409 2.5467 2.5936 2.8379 2.8574 3.0571 3.1269 3.2900 3.3485 3.3790 3.4337 3.5537 3.5718 3.8290 4.0330 4.4427 4.4446 4.6425 4.6684 4.7155 4.7420 5.2876 5.3060 5.4419 5.4476 8.8480 8.8520 9.1122 9.1146 10.3730 10.3749 10.5666 10.5832 10.9678 10.9718 k = 0.0000 0.0000 0.3441 ( 5919 PWs) bands (ev): -7.5962 -7.5956 -6.5652 -6.5638 -6.4832 -6.4818 -6.3958 -6.3921 -0.5854 -0.5848 0.6397 0.6420 1.2916 1.3224 1.3401 1.3570 1.4535 1.5202 1.8242 1.8397 2.1272 2.1508 2.3166 2.3331 2.3607 2.4297 2.4993 2.5324 2.5660 2.5984 2.8330 2.8664 3.0592 3.1186 3.2797 3.3538 3.3815 3.4504 3.5466 3.5697 3.8468 4.0401 4.4306 4.4508 4.6312 4.6656 4.7250 4.7560 5.2816 5.2981 5.4235 5.4318 8.9443 8.9487 9.1588 9.1594 10.3291 10.3304 10.6311 10.6434 10.9538 10.9616 k = 0.0000 0.0000 0.3644 ( 5916 PWs) bands (ev): -7.5763 -7.5756 -6.5812 -6.5798 -6.4897 -6.4883 -6.4003 -6.3965 -0.5665 -0.5662 0.5990 0.6015 1.2907 1.3159 1.3438 1.3579 1.4609 1.5260 1.8360 1.8411 2.1292 2.1517 2.3209 2.3238 2.3566 2.4201 2.5091 2.5236 2.5862 2.6089 2.8272 2.8749 3.0616 3.1111 3.2746 3.3585 3.3818 3.4700 3.5445 3.5692 3.8693 4.0506 4.4153 4.4527 4.6206 4.6543 4.7491 4.7765 5.2770 5.2907 5.4069 5.4182 9.0399 9.0447 9.2044 9.2054 10.2855 10.2861 10.6611 10.6675 10.9624 10.9750 k = 0.0000 0.0000 0.3846 ( 5916 PWs) bands (ev): -7.5556 -7.5548 -6.5976 -6.5963 -6.4962 -6.4948 -6.4052 -6.4013 -0.5471 -0.5469 0.5594 0.5621 1.2887 1.3075 1.3498 1.3607 1.4676 1.5300 1.8428 1.8487 2.1309 2.1511 2.3104 2.3233 2.3553 2.4009 2.5112 2.5190 2.6054 2.6185 2.8204 2.8829 3.0644 3.1050 3.2744 3.3627 3.3820 3.4891 3.5467 3.5694 3.8967 4.0649 4.4007 4.4528 4.6138 4.6441 4.7753 4.7986 5.2741 5.2839 5.3925 5.4072 9.1345 9.1394 9.2496 9.2522 10.2411 10.2414 10.6497 10.6518 10.9971 11.0127 k = 0.0000 0.0000 0.4049 ( 5924 PWs) bands (ev): -7.5341 -7.5332 -6.6145 -6.6133 -6.5026 -6.5012 -6.4104 -6.4065 -0.5272 -0.5270 0.5209 0.5237 1.2854 1.2975 1.3583 1.3657 1.4733 1.5319 1.8450 1.8620 2.1322 2.1485 2.2964 2.3239 2.3546 2.3779 2.5061 2.5163 2.6219 2.6249 2.8129 2.8901 3.0674 3.1003 3.2783 3.3670 3.3821 3.5062 3.5524 3.5696 3.9292 4.0830 4.3905 4.4541 4.6100 4.6348 4.8008 4.8200 5.2731 5.2781 5.3807 5.3990 9.2276 9.2324 9.2952 9.2991 10.1947 10.1959 10.6072 10.6074 11.0371 11.0422 k = 0.0000 0.0000 0.4251 ( 5924 PWs) bands (ev): -7.5119 -7.5109 -6.6318 -6.6307 -6.5087 -6.5075 -6.4159 -6.4120 -0.5068 -0.5064 0.4836 0.4865 1.2806 1.2863 1.3692 1.3732 1.4774 1.5312 1.8477 1.8756 2.1333 2.1437 2.2833 2.3220 2.3537 2.3567 2.4954 2.5133 2.6273 2.6348 2.8050 2.8959 3.0705 3.0970 3.2858 3.3719 3.3819 3.5204 3.5604 3.5693 3.9671 4.1052 4.3871 4.4584 4.6084 4.6255 4.8249 4.8398 5.2735 5.2744 5.3715 5.3937 9.3185 9.3229 9.3413 9.3463 10.1461 10.1483 10.5441 10.5454 11.0283 11.0306 k = 0.0000 0.0000 0.4454 ( 5918 PWs) bands (ev): -7.4891 -7.4880 -6.6496 -6.6486 -6.5147 -6.5135 -6.4218 -6.4179 -0.4861 -0.4853 0.4473 0.4503 1.2742 1.2743 1.3824 1.3832 1.4795 1.5277 1.8510 1.8893 2.1343 2.1364 2.2718 2.3158 2.3418 2.3526 2.4807 2.5092 2.6255 2.6429 2.7966 2.8995 3.0736 3.0951 3.2956 3.3777 3.3805 3.5317 3.5681 3.5699 4.0098 4.1314 4.3919 4.4655 4.6094 4.6160 4.8471 4.8577 5.2705 5.2780 5.3652 5.3911 9.3869 9.3936 9.4070 9.4116 10.0946 10.0979 10.4679 10.4703 11.0166 11.0181 k = 0.0000 0.0000 0.4656 ( 5910 PWs) bands (ev): -7.4656 -7.4644 -6.6677 -6.6669 -6.5203 -6.5192 -6.4279 -6.4241 -0.4649 -0.4638 0.4121 0.4152 1.2614 1.2667 1.3958 1.3979 1.4791 1.5211 1.8550 1.9026 2.1271 2.1351 2.2624 2.3056 2.3346 2.3512 2.4637 2.5039 2.6194 2.6458 2.7878 2.8996 3.0764 3.0955 3.3067 3.3769 3.3849 3.5410 3.5663 3.5805 4.0570 4.1613 4.4042 4.4732 4.6069 4.6153 4.8669 4.8733 5.2695 5.2839 5.3617 5.3909 9.4337 9.4412 9.4925 9.4961 10.0397 10.0440 10.3820 10.3854 11.0076 11.0076 k = 0.0000 0.0000 0.4859 ( 5914 PWs) bands (ev): -7.4416 -7.4402 -6.6862 -6.6855 -6.5256 -6.5246 -6.4343 -6.4306 -0.4433 -0.4419 0.3780 0.3811 1.2482 1.2580 1.4107 1.4152 1.4762 1.5116 1.8596 1.9152 2.1168 2.1357 2.2554 2.2958 2.3311 2.3494 2.4459 2.4975 2.6095 2.6428 2.7783 2.8953 3.0790 3.0991 3.3175 3.3700 3.3937 3.5494 3.5641 3.5917 4.1075 4.1945 4.4219 4.4777 4.6003 4.6295 4.8844 4.8868 5.2706 5.2920 5.3607 5.3929 9.4806 9.4889 9.5745 9.5771 9.9808 9.9863 10.2888 10.2932 10.9997 11.0015 k = 0.0000 0.0000 0.5061 ( 5922 PWs) bands (ev): -7.4171 -7.4156 -6.7050 -6.7045 -6.5306 -6.5296 -6.4409 -6.4374 -0.4213 -0.4197 0.3449 0.3481 1.2351 1.2486 1.4272 1.4330 1.4718 1.4998 1.8650 1.9269 2.1070 2.1358 2.2509 2.2884 2.3287 2.3473 2.4285 2.4901 2.5963 2.6341 2.7677 2.8860 3.0813 3.1064 3.3270 3.3596 3.4041 3.5585 3.5621 3.6032 4.1603 4.2302 4.4403 4.4765 4.6002 4.6543 4.8985 4.8997 5.2739 5.3019 5.3620 5.3965 9.5277 9.5366 9.6526 9.6539 9.9182 9.9250 10.1905 10.1960 10.9947 10.9983 k = 0.0000 0.0000 0.5263 ( 5914 PWs) bands (ev): -7.3922 -7.3906 -6.7242 -6.7239 -6.5351 -6.5342 -6.4477 -6.4444 -0.3990 -0.3972 0.3128 0.3159 1.2221 1.2388 1.4424 1.4433 1.4735 1.4888 1.8710 1.9374 2.0992 2.1352 2.2491 2.2833 2.3268 2.3450 2.4122 2.4820 2.5805 2.6199 2.7555 2.8720 3.0834 3.1174 3.3347 3.3457 3.4159 3.5607 3.5691 3.6148 4.2137 4.2674 4.4529 4.4695 4.6121 4.6890 4.9092 4.9131 5.2794 5.3132 5.3652 5.4014 9.5748 9.5841 9.7251 9.7258 9.8526 9.8610 10.0890 10.0956 10.9922 10.9977 k = 0.0000 0.0000 0.5466 ( 5906 PWs) bands (ev): -7.3669 -7.3652 -6.7437 -6.7437 -6.5391 -6.5383 -6.4547 -6.4515 -0.3765 -0.3745 0.2817 0.2847 1.2096 1.2288 1.4360 1.4451 1.4901 1.4916 1.8777 1.9467 2.0944 2.1334 2.2499 2.2797 2.3254 2.3422 2.3980 2.4734 2.5625 2.6004 2.7414 2.8544 3.0853 3.1313 3.3292 3.3404 3.4287 3.5603 3.5811 3.6266 4.2663 4.3047 4.4556 4.4587 4.6394 4.7314 4.9197 4.9257 5.2866 5.3255 5.3698 5.4070 9.6217 9.6310 9.7715 9.7719 9.8064 9.8141 9.9863 9.9942 10.9918 10.9990 k = 0.0000 0.0000 0.5668 ( 5914 PWs) bands (ev): -7.3413 -7.3395 -6.7637 -6.7635 -6.5427 -6.5419 -6.4619 -6.4589 -0.3537 -0.3515 0.2514 0.2543 1.1978 1.2189 1.4205 1.4308 1.5087 1.5168 1.8848 1.9547 2.0928 2.1304 2.2528 2.2768 2.3245 2.3390 2.3862 2.4644 2.5433 2.5764 2.7250 2.8340 3.0873 3.1469 3.3112 3.3440 3.4422 3.5609 3.5941 3.6386 4.3158 4.3403 4.4459 4.4505 4.6792 4.7792 4.9314 4.9384 5.2953 5.3381 5.3755 5.4129 9.6678 9.6763 9.7075 9.7146 9.8625 9.8636 9.8851 9.8942 10.9927 11.0013 k = 0.0000 0.0000 0.5871 ( 5916 PWs) bands (ev): -7.3155 -7.3135 -6.7841 -6.7837 -6.5457 -6.5450 -6.4691 -6.4663 -0.3306 -0.3283 0.2219 0.2247 1.1870 1.2095 1.4012 1.4103 1.5343 1.5451 1.8922 1.9619 2.0943 2.1261 2.2573 2.2739 2.3243 2.3351 2.3775 2.4550 2.5233 2.5488 2.7064 2.8120 3.0894 3.1635 3.2926 3.3458 3.4560 3.5624 3.6076 3.6508 4.3600 4.3722 4.4330 4.4421 4.7270 4.8303 4.9453 4.9526 5.3049 5.3503 5.3820 5.4186 9.6349 9.6435 9.7085 9.7128 9.7893 9.8041 9.9201 9.9228 10.9941 11.0039 k = 0.0000 0.0000 0.6073 ( 5912 PWs) bands (ev): -7.2895 -7.2874 -6.8049 -6.8042 -6.5481 -6.5475 -6.4763 -6.4738 -0.3073 -0.3050 0.1933 0.1959 1.1773 1.2008 1.3796 1.3876 1.5631 1.5755 1.8999 1.9682 2.0981 2.1207 2.2624 2.2704 2.3247 2.3305 2.3719 2.4454 2.5034 2.5190 2.6856 2.7889 3.0919 3.1803 3.2743 3.3462 3.4698 3.5648 3.6209 3.6634 4.3940 4.3962 4.4236 4.4364 4.7789 4.8832 4.9629 4.9698 5.3148 5.3613 5.3891 5.4239 9.5619 9.5713 9.6744 9.6768 9.7719 9.7890 9.9725 9.9770 10.9954 11.0061 k = 0.0000 0.0000 0.6276 ( 5912 PWs) bands (ev): -7.2634 -7.2612 -6.8260 -6.8250 -6.5499 -6.5494 -6.4835 -6.4812 -0.2839 -0.2815 0.1653 0.1677 1.1689 1.1931 1.3566 1.3640 1.5944 1.6076 1.9077 1.9740 2.1036 2.1143 2.2658 2.2666 2.3252 2.3259 2.3685 2.4356 2.4845 2.4891 2.6629 2.7653 3.0947 3.1968 3.2568 3.3454 3.4833 3.5677 3.6336 3.6758 4.3996 4.4056 4.4301 4.4458 4.8326 4.9361 4.9849 4.9909 5.3245 5.3706 5.3966 5.4282 9.4902 9.5000 9.5852 9.5903 9.8133 9.8279 10.0195 10.0255 10.9963 11.0077 k = 0.0000 0.0000 0.6478 ( 5922 PWs) bands (ev): -7.2373 -7.2350 -6.8475 -6.8462 -6.5511 -6.5507 -6.4906 -6.4886 -0.2603 -0.2579 0.1379 0.1401 1.1621 1.1865 1.3330 1.3405 1.6276 1.6413 1.9154 1.9789 2.1072 2.1100 2.2593 2.2685 2.3196 2.3278 2.3650 2.4259 2.4632 2.4675 2.6388 2.7413 3.0981 3.2126 3.2403 3.3435 3.4964 3.5709 3.6456 3.6877 4.3917 4.4016 4.4430 4.4638 4.8863 4.9868 5.0124 5.0164 5.3337 5.3776 5.4041 5.4313 9.4211 9.4310 9.4984 9.5041 9.8571 9.8709 10.0606 10.0680 10.9969 11.0089 k = 0.0000 0.0000 0.6681 ( 5924 PWs) bands (ev): -7.2111 -7.2087 -6.8693 -6.8678 -6.5517 -6.5513 -6.4976 -6.4958 -0.2365 -0.2342 0.1112 0.1130 1.1570 1.1813 1.3093 1.3174 1.6625 1.6761 1.9227 1.9828 2.0999 2.1167 2.2505 2.2657 2.3140 2.3303 2.3579 2.4166 2.4473 2.4530 2.6138 2.7172 3.1020 3.2249 3.2274 3.3408 3.5088 3.5739 3.6569 3.6985 4.3845 4.3965 4.4513 4.4768 4.9386 5.0302 5.0455 5.0489 5.3419 5.3824 5.4111 5.4329 9.3561 9.3659 9.4179 9.4235 9.9003 9.9138 10.0954 10.1040 10.9978 11.0102 k = 0.0000 0.0000 0.6883 ( 5922 PWs) bands (ev): -7.1851 -7.1826 -6.8915 -6.8898 -6.5516 -6.5513 -6.5044 -6.5028 -0.2126 -0.2104 0.0849 0.0864 1.1538 1.1778 1.2862 1.2953 1.6986 1.7117 1.9294 1.9851 2.0926 2.1233 2.2391 2.2547 2.3093 2.3336 2.3463 2.4085 2.4416 2.4450 2.5885 2.6929 3.1065 3.2108 3.2413 3.3374 3.5204 3.5766 3.6676 3.7077 4.3796 4.3936 4.4540 4.4829 4.9883 5.0656 5.0767 5.0925 5.3490 5.3852 5.4167 5.4326 9.2966 9.3061 9.3453 9.3503 9.9421 9.9554 10.1234 10.1331 10.9998 11.0126 k = 0.0000 0.0000 0.7085 ( 5922 PWs) bands (ev): -7.1591 -7.1566 -6.9140 -6.9122 -6.5509 -6.5506 -6.5109 -6.5095 -0.1885 -0.1865 0.0590 0.0602 1.1527 1.1760 1.2642 1.2745 1.7357 1.7479 1.9349 1.9849 2.0859 2.1295 2.2251 2.2333 2.3065 2.3351 2.3376 2.4018 2.4336 2.4531 2.5635 2.6686 3.1116 3.1978 3.2541 3.3333 3.5312 3.5785 3.6776 3.7148 4.3775 4.3935 4.4519 4.4829 5.0344 5.0992 5.1081 5.1342 5.3550 5.3867 5.4204 5.4303 9.2440 9.2528 9.2816 9.2858 9.9821 9.9953 10.1440 10.1546 11.0038 11.0170 k = 0.0000 0.0000 0.7288 ( 5926 PWs) bands (ev): -7.1333 -7.1307 -6.9370 -6.9350 -6.5495 -6.5492 -6.5171 -6.5159 -0.1643 -0.1625 0.0335 0.0344 1.1536 1.1762 1.2436 1.2553 1.7731 1.7841 1.9385 1.9813 2.0803 2.1353 2.2042 2.2097 2.3056 2.3269 2.3425 2.3960 2.4297 2.4674 2.5392 2.6444 3.1173 3.1858 3.2659 3.3285 3.5411 3.5793 3.6870 3.7196 4.3782 4.3965 4.4460 4.4778 5.0760 5.1314 5.1369 5.1703 5.3603 5.3874 5.4216 5.4259 9.1995 9.2074 9.2278 9.2310 10.0197 10.0328 10.1571 10.1684 11.0106 11.0243 k = 0.0000 0.0000 0.7490 ( 5922 PWs) bands (ev): -7.1077 -7.1051 -6.9603 -6.9581 -6.5475 -6.5471 -6.5230 -6.5220 -0.1400 -0.1385 0.0084 0.0089 1.1569 1.1784 1.2247 1.2379 1.8101 1.8198 1.9390 1.9731 2.0769 2.1407 2.1720 2.1942 2.3058 2.3210 2.3483 2.3900 2.4305 2.4852 2.5162 2.6202 3.1237 3.1747 3.2766 3.3232 3.5499 3.5790 3.6957 3.7220 4.3818 4.4024 4.4375 4.4692 5.1123 5.1605 5.1612 5.1985 5.3657 5.3884 5.4193 5.4202 9.1642 9.1710 9.1848 9.1867 10.0544 10.0674 10.1624 10.1742 11.0209 11.0350 k = 0.0000 0.0000 0.7693 ( 5906 PWs) bands (ev): -7.0823 -7.0797 -6.9840 -6.9817 -6.5449 -6.5444 -6.5284 -6.5275 -0.1156 -0.1143 -0.0165 -0.0164 1.1624 1.1828 1.2078 1.2225 1.8455 1.8542 1.9346 1.9596 2.0771 2.1410 2.1461 2.1801 2.3068 2.3167 2.3548 2.3834 2.4361 2.4949 2.5053 2.5962 3.1306 3.1645 3.2864 3.3173 3.5578 3.5774 3.7036 3.7220 4.3879 4.4109 4.4274 4.4582 5.1422 5.1764 5.1871 5.2170 5.3722 5.3909 5.4107 5.4162 9.1392 9.1447 9.1531 9.1536 10.0856 10.0985 10.1600 10.1723 11.0347 11.0493 k = 0.0000 0.0000 0.7895 ( 5900 PWs) bands (ev): -7.0573 -7.0547 -7.0081 -7.0057 -6.5416 -6.5411 -6.5333 -6.5326 -0.0910 -0.0901 -0.0415 -0.0412 1.1702 1.1894 1.1930 1.2092 1.8776 1.8865 1.9234 1.9402 2.0825 2.1144 2.1520 2.1684 2.3084 2.3133 2.3618 2.3763 2.4459 2.4758 2.5268 2.5726 3.1382 3.1551 3.2953 3.3107 3.5645 3.5744 3.7104 3.7199 4.3961 4.4166 4.4215 4.4460 5.1646 5.1826 5.2075 5.2242 5.3804 5.3958 5.4007 5.4100 9.1252 9.1293 9.1322 9.1333 10.1125 10.1254 10.1505 10.1630 11.0521 11.0672 k = 0.0000 0.0000 0.8098 ( 5908 PWs) bands (ev): -7.0325 -7.0325 -7.0300 -7.0300 -6.5377 -6.5377 -6.5371 -6.5371 -0.0663 -0.0663 -0.0657 -0.0657 1.1805 1.1805 1.1982 1.1982 1.9042 1.9042 1.9156 1.9156 2.0947 2.0947 2.1592 2.1592 2.3106 2.3106 2.3690 2.3690 2.4594 2.4594 2.5493 2.5493 3.1463 3.1463 3.3034 3.3034 3.5701 3.5701 3.7159 3.7159 4.4059 4.4059 4.4334 4.4334 5.1785 5.1785 5.2205 5.2205 5.3902 5.3902 5.4027 5.4027 9.1228 9.1228 9.1253 9.1253 10.1344 10.1344 10.1471 10.1471 11.0725 11.0725 k = 0.0000 0.0000 0.8098 ( 5908 PWs) bands (ev): -7.0325 -7.0325 -7.0300 -7.0300 -6.5377 -6.5377 -6.5371 -6.5371 -0.0663 -0.0663 -0.0657 -0.0657 1.1805 1.1805 1.1982 1.1982 1.9042 1.9042 1.9156 1.9156 2.0947 2.0947 2.1592 2.1592 2.3106 2.3106 2.3690 2.3690 2.4594 2.4594 2.5493 2.5493 3.1463 3.1463 3.3034 3.3034 3.5701 3.5701 3.7159 3.7159 4.4059 4.4059 4.4334 4.4334 5.1785 5.1785 5.2205 5.2205 5.3902 5.3902 5.4027 5.4027 9.1228 9.1228 9.1253 9.1253 10.1344 10.1344 10.1471 10.1471 11.0725 11.0725 k =-0.0119 0.0151 0.8098 ( 5896 PWs) bands (ev): -7.0325 -7.0325 -7.0300 -7.0300 -6.5378 -6.5378 -6.5372 -6.5372 -0.0659 -0.0659 -0.0651 -0.0651 1.1806 1.1806 1.1983 1.1983 1.9043 1.9043 1.9166 1.9166 2.0946 2.0946 2.1593 2.1593 2.3108 2.3108 2.3693 2.3693 2.4594 2.4594 2.5492 2.5492 3.1463 3.1463 3.3033 3.3033 3.5693 3.5693 3.7150 3.7150 4.4038 4.4038 4.4341 4.4341 5.1775 5.1775 5.2196 5.2196 5.3891 5.3891 5.4032 5.4032 9.1238 9.1238 9.1265 9.1265 10.1375 10.1375 10.1503 10.1503 11.0690 11.0690 k =-0.0237 0.0302 0.8098 ( 5906 PWs) bands (ev): -7.0326 -7.0326 -7.0301 -7.0301 -6.5379 -6.5379 -6.5372 -6.5372 -0.0644 -0.0644 -0.0634 -0.0634 1.1811 1.1811 1.1987 1.1987 1.9047 1.9047 1.9194 1.9194 2.0945 2.0945 2.1597 2.1597 2.3113 2.3113 2.3699 2.3699 2.4593 2.4593 2.5487 2.5487 3.1463 3.1463 3.3028 3.3028 3.5670 3.5670 3.7123 3.7123 4.3981 4.3981 4.4355 4.4355 5.1746 5.1746 5.2168 5.2168 5.3864 5.3864 5.4042 5.4042 9.1270 9.1270 9.1300 9.1300 10.1466 10.1466 10.1597 10.1597 11.0586 11.0586 k =-0.0356 0.0453 0.8098 ( 5910 PWs) bands (ev): -7.0328 -7.0328 -7.0303 -7.0303 -6.5381 -6.5381 -6.5373 -6.5373 -0.0620 -0.0620 -0.0607 -0.0607 1.1820 1.1820 1.1993 1.1993 1.9059 1.9059 1.9238 1.9238 2.0942 2.0942 2.1602 2.1602 2.3122 2.3122 2.3709 2.3709 2.4594 2.4594 2.5478 2.5478 3.1463 3.1463 3.3021 3.3021 3.5631 3.5631 3.7079 3.7079 4.3899 4.3899 4.4366 4.4366 5.1698 5.1698 5.2122 5.2122 5.3828 5.3828 5.4051 5.4051 9.1323 9.1323 9.1357 9.1357 10.1614 10.1614 10.1749 10.1749 11.0415 11.0415 k =-0.0474 0.0604 0.8098 ( 5914 PWs) bands (ev): -7.0330 -7.0330 -7.0306 -7.0306 -6.5383 -6.5383 -6.5375 -6.5375 -0.0586 -0.0586 -0.0569 -0.0569 1.1832 1.1832 1.2003 1.2003 1.9078 1.9078 1.9294 1.9294 2.0940 2.0940 2.1609 2.1609 2.3135 2.3135 2.3722 2.3722 2.4595 2.4595 2.5467 2.5467 3.1464 3.1464 3.3012 3.3012 3.5579 3.5579 3.7018 3.7018 4.3798 4.3798 4.4364 4.4364 5.1633 5.1633 5.2059 5.2059 5.3786 5.3786 5.4057 5.4057 9.1398 9.1398 9.1437 9.1437 10.1813 10.1813 10.1951 10.1951 11.0181 11.0181 k =-0.0593 0.0755 0.8098 ( 5904 PWs) bands (ev): -7.0334 -7.0334 -7.0310 -7.0310 -6.5386 -6.5386 -6.5376 -6.5376 -0.0544 -0.0544 -0.0522 -0.0522 1.1848 1.1848 1.2016 1.2016 1.9107 1.9107 1.9361 1.9361 2.0936 2.0936 2.1617 2.1617 2.3149 2.3149 2.3737 2.3737 2.4599 2.4599 2.5453 2.5453 3.1466 3.1466 3.3001 3.3001 3.5515 3.5515 3.6943 3.6943 4.3680 4.3680 4.4347 4.4347 5.1554 5.1554 5.1982 5.1982 5.3741 5.3741 5.4057 5.4057 9.1494 9.1494 9.1538 9.1538 10.2053 10.2053 10.2195 10.2195 10.9890 10.9890 k =-0.0711 0.0906 0.8098 ( 5906 PWs) bands (ev): -7.0339 -7.0339 -7.0315 -7.0315 -6.5388 -6.5388 -6.5377 -6.5377 -0.0493 -0.0493 -0.0466 -0.0466 1.1869 1.1869 1.2033 1.2033 1.9143 1.9143 1.9438 1.9438 2.0933 2.0933 2.1625 2.1625 2.3163 2.3163 2.3755 2.3755 2.4605 2.4605 2.5438 2.5438 3.1469 3.1469 3.2988 3.2988 3.5439 3.5439 3.6856 3.6856 4.3546 4.3546 4.4310 4.4310 5.1463 5.1463 5.1892 5.1892 5.3695 5.3695 5.4051 5.4051 9.1611 9.1611 9.1660 9.1660 10.2324 10.2324 10.2466 10.2466 10.9549 10.9549 k =-0.0830 0.1057 0.8098 ( 5908 PWs) bands (ev): -7.0345 -7.0345 -7.0322 -7.0322 -6.5390 -6.5390 -6.5377 -6.5377 -0.0434 -0.0434 -0.0403 -0.0403 1.1895 1.1895 1.2055 1.2055 1.9188 1.9188 1.9523 1.9523 2.0930 2.0930 2.1631 2.1631 2.3176 2.3176 2.3776 2.3776 2.4614 2.4614 2.5421 2.5421 3.1474 3.1474 3.2973 3.2973 3.5354 3.5354 3.6757 3.6757 4.3398 4.3398 4.4253 4.4253 5.1362 5.1362 5.1792 5.1792 5.3649 5.3649 5.4041 5.4041 9.1747 9.1747 9.1802 9.1802 10.2609 10.2609 10.2750 10.2750 10.9166 10.9166 k =-0.0948 0.1208 0.8098 ( 5914 PWs) bands (ev): -7.0353 -7.0353 -7.0330 -7.0330 -6.5390 -6.5390 -6.5377 -6.5377 -0.0370 -0.0370 -0.0333 -0.0333 1.1926 1.1926 1.2082 1.2082 1.9239 1.9239 1.9614 1.9614 2.0927 2.0927 2.1636 2.1636 2.3185 2.3185 2.3800 2.3800 2.4627 2.4627 2.5403 2.5403 3.1482 3.1482 3.2958 3.2958 3.5262 3.5262 3.6649 3.6649 4.3237 4.3237 4.4172 4.4172 5.1254 5.1254 5.1684 5.1684 5.3604 5.3604 5.4025 5.4025 9.1902 9.1902 9.1961 9.1961 10.2892 10.2892 10.3027 10.3027 10.8754 10.8754 k =-0.1067 0.1359 0.8098 ( 5916 PWs) bands (ev): -7.0363 -7.0363 -7.0341 -7.0341 -6.5389 -6.5389 -6.5375 -6.5375 -0.0300 -0.0300 -0.0258 -0.0258 1.1964 1.1964 1.2116 1.2116 1.9295 1.9295 1.9711 1.9711 2.0927 2.0927 2.1637 2.1637 2.3186 2.3186 2.3831 2.3831 2.4641 2.4641 2.5385 2.5385 3.1493 3.1493 3.2943 3.2943 3.5164 3.5164 3.6535 3.6535 4.3065 4.3065 4.4069 4.4069 5.1141 5.1141 5.1571 5.1571 5.3561 5.3561 5.4004 5.4004 9.2072 9.2072 9.2137 9.2137 10.3150 10.3150 10.3275 10.3275 10.8326 10.8326 k =-0.1185 0.1510 0.8098 ( 5916 PWs) bands (ev): -7.0375 -7.0375 -7.0354 -7.0354 -6.5386 -6.5386 -6.5371 -6.5371 -0.0227 -0.0227 -0.0179 -0.0179 1.2008 1.2008 1.2157 1.2157 1.9355 1.9355 1.9811 1.9811 2.0928 2.0928 2.1635 2.1635 2.3180 2.3180 2.3869 2.3869 2.4658 2.4658 2.5369 2.5369 3.1509 3.1509 3.2929 3.2929 3.5063 3.5063 3.6416 3.6416 4.2882 4.2882 4.3944 4.3944 5.1026 5.1026 5.1455 5.1455 5.3520 5.3520 5.3980 5.3980 9.2256 9.2256 9.2326 9.2326 10.3358 10.3358 10.3471 10.3471 10.7898 10.7898 k =-0.1304 0.1661 0.8098 ( 5914 PWs) bands (ev): -7.0390 -7.0390 -7.0370 -7.0370 -6.5381 -6.5381 -6.5364 -6.5364 -0.0151 -0.0151 -0.0097 -0.0097 1.2059 1.2059 1.2207 1.2207 1.9415 1.9415 1.9913 1.9913 2.0932 2.0932 2.1628 2.1628 2.3163 2.3163 2.3916 2.3916 2.4674 2.4674 2.5356 2.5356 3.1529 3.1529 3.2916 3.2916 3.4959 3.4959 3.6293 3.6293 4.2691 4.2691 4.3797 4.3797 5.0910 5.0910 5.1338 5.1338 5.3481 5.3481 5.3952 5.3952 9.2450 9.2451 9.2525 9.2525 10.3490 10.3490 10.3589 10.3589 10.7488 10.7488 k =-0.1422 0.1812 0.8098 ( 5910 PWs) bands (ev): -7.0407 -7.0407 -7.0388 -7.0388 -6.5373 -6.5373 -6.5355 -6.5355 -0.0074 -0.0074 -0.0014 -0.0014 1.2117 1.2117 1.2265 1.2265 1.9473 1.9473 2.0014 2.0014 2.0939 2.0939 2.1617 2.1617 2.3138 2.3138 2.3974 2.3974 2.4688 2.4688 2.5346 2.5346 3.1554 3.1554 3.2904 3.2904 3.4855 3.4855 3.6169 3.6169 4.2497 4.2497 4.3631 4.3631 5.0793 5.0793 5.1221 5.1221 5.3445 5.3445 5.3921 5.3921 9.2651 9.2651 9.2731 9.2731 10.3519 10.3519 10.3605 10.3605 10.7114 10.7114 k =-0.1541 0.1962 0.8098 ( 5922 PWs) bands (ev): -7.0428 -7.0428 -7.0410 -7.0410 -6.5362 -6.5362 -6.5343 -6.5343 0.0003 0.0003 0.0069 0.0069 1.2184 1.2184 1.2333 1.2333 1.9525 1.9525 2.0111 2.0111 2.0950 2.0950 2.1603 2.1603 2.3106 2.3106 2.4039 2.4039 2.4701 2.4701 2.5342 2.5342 3.1584 3.1584 3.2895 3.2895 3.4751 3.4751 3.6043 3.6043 4.2303 4.2303 4.3450 4.3450 5.0675 5.0676 5.1104 5.1104 5.3412 5.3412 5.3888 5.3888 9.2852 9.2852 9.2938 9.2938 10.3428 10.3428 10.3508 10.3508 10.6790 10.6790 k =-0.1541 0.1962 0.8098 ( 5922 PWs) bands (ev): -7.0428 -7.0428 -7.0410 -7.0410 -6.5362 -6.5362 -6.5343 -6.5343 0.0003 0.0003 0.0069 0.0069 1.2184 1.2184 1.2333 1.2333 1.9525 1.9525 2.0111 2.0111 2.0950 2.0950 2.1603 2.1603 2.3106 2.3106 2.4039 2.4039 2.4701 2.4701 2.5342 2.5342 3.1584 3.1584 3.2895 3.2895 3.4751 3.4751 3.6043 3.6043 4.2303 4.2303 4.3450 4.3450 5.0675 5.0676 5.1104 5.1104 5.3412 5.3412 5.3888 5.3888 9.2852 9.2852 9.2938 9.2938 10.3428 10.3428 10.3508 10.3508 10.6790 10.6790 k =-0.1627 0.2073 0.7958 ( 5914 PWs) bands (ev): -7.0573 -7.0559 -7.0315 -7.0302 -6.5399 -6.5383 -6.5300 -6.5282 -0.0107 -0.0047 0.0238 0.0295 1.2152 1.2269 1.2376 1.2477 1.9369 1.9717 2.0068 2.0236 2.0864 2.1097 2.1534 2.1657 2.2995 2.3176 2.4073 2.4111 2.4690 2.4740 2.5232 2.5465 3.1587 3.1635 3.2836 3.2940 3.4611 3.4728 3.5925 3.5989 4.2033 4.2296 4.3204 4.3419 5.0458 5.0645 5.0864 5.1131 5.3292 5.3505 5.3834 5.3919 9.2920 9.3000 9.3125 9.3213 10.3109 10.3187 10.3447 10.3524 10.6495 10.6567 k =-0.1713 0.2183 0.7817 ( 5915 PWs) bands (ev): -7.0715 -7.0701 -7.0215 -7.0204 -6.5436 -6.5420 -6.5232 -6.5212 -0.0221 -0.0154 0.0463 0.0523 1.2130 1.2264 1.2537 1.2642 1.9195 1.9800 2.0040 2.0304 2.0836 2.1252 2.1462 2.1729 2.2884 2.3260 2.4125 2.4176 2.4683 2.4796 2.5163 2.5589 3.1594 3.1686 3.2777 3.2986 3.4465 3.4692 3.5815 3.5949 4.1770 4.2291 4.2956 4.3387 5.0180 5.0480 5.0637 5.1098 5.3191 5.3611 5.3806 5.3992 9.3007 9.3088 9.3449 9.3545 10.2679 10.2757 10.3449 10.3524 10.6265 10.6337 k =-0.1800 0.2293 0.7677 ( 5919 PWs) bands (ev): -7.0851 -7.0837 -7.0125 -7.0117 -6.5472 -6.5456 -6.5158 -6.5136 -0.0333 -0.0260 0.0685 0.0748 1.2122 1.2262 1.2721 1.2824 1.9007 1.9683 2.0133 2.0338 2.0844 2.1339 2.1440 2.1814 2.2781 2.3334 2.4195 2.4258 2.4668 2.4860 2.5156 2.5712 3.1603 3.1739 3.2718 3.3034 3.4318 3.4642 3.5714 3.5922 4.1516 4.2276 4.2719 4.3355 4.9855 5.0157 5.0458 5.0992 5.3119 5.3661 5.3869 5.4103 9.3105 9.3186 9.3823 9.3927 10.2175 10.2253 10.3445 10.3518 10.6085 10.6156 k =-0.1886 0.2403 0.7537 ( 5914 PWs) bands (ev): -7.0982 -7.0968 -7.0046 -7.0040 -6.5507 -6.5491 -6.5078 -6.5055 -0.0443 -0.0365 0.0903 0.0969 1.2128 1.2272 1.2920 1.3021 1.8808 1.9486 2.0236 2.0361 2.0863 2.1274 2.1535 2.1912 2.2695 2.3364 2.4280 2.4388 2.4633 2.4931 2.5223 2.5835 3.1609 3.1795 3.2663 3.3083 3.4179 3.4575 3.5626 3.5906 4.1272 4.2210 4.2536 4.3325 4.9494 4.9776 5.0244 5.0813 5.3073 5.3640 5.4030 5.4248 9.3207 9.3286 9.4238 9.4348 10.1640 10.1719 10.3444 10.3517 10.5933 10.6003 k =-0.1973 0.2513 0.7397 ( 5911 PWs) bands (ev): -7.1106 -7.1093 -6.9977 -6.9973 -6.5541 -6.5525 -6.4995 -6.4970 -0.0550 -0.0467 0.1116 0.1185 1.2149 1.2296 1.3129 1.3232 1.8600 1.9262 2.0290 2.0401 2.0877 2.1193 2.1606 2.2016 2.2632 2.3339 2.4365 2.4539 2.4616 2.5034 2.5343 2.5957 3.1606 3.1854 3.2615 3.3135 3.4052 3.4491 3.5550 3.5898 4.1038 4.2025 4.2476 4.3299 4.9106 4.9365 4.9985 5.0570 5.3047 5.3602 5.4228 5.4420 9.3299 9.3377 9.4682 9.4795 10.1112 10.1194 10.3451 10.3524 10.5798 10.5866 k =-0.2059 0.2624 0.7257 ( 5906 PWs) bands (ev): -7.1224 -7.1212 -6.9918 -6.9914 -6.5573 -6.5557 -6.4909 -6.4882 -0.0654 -0.0566 0.1323 0.1393 1.2186 1.2335 1.3348 1.3455 1.8387 1.9022 2.0292 2.0455 2.0875 2.1124 2.1639 2.2120 2.2600 2.3272 2.4407 2.4527 2.4815 2.5191 2.5497 2.6078 3.1587 3.1916 3.2581 3.3190 3.3941 3.4391 3.5484 3.5897 4.0814 4.1770 4.2490 4.3281 4.8700 4.8936 4.9689 5.0277 5.3030 5.3559 5.4445 5.4613 9.3371 9.3447 9.5139 9.5252 10.0629 10.0717 10.3466 10.3541 10.5678 10.5743 k =-0.2146 0.2734 0.7117 ( 5899 PWs) bands (ev): -7.1336 -7.1323 -6.9867 -6.9864 -6.5604 -6.5588 -6.4821 -6.4793 -0.0754 -0.0662 0.1521 0.1593 1.2239 1.2387 1.3573 1.3688 1.8169 1.8772 2.0273 2.0489 2.0846 2.1083 2.1640 2.2218 2.2599 2.3181 2.4359 2.4547 2.5058 2.5394 2.5687 2.6196 3.1548 3.1982 3.2568 3.3250 3.3849 3.4277 3.5425 3.5903 4.0599 4.1489 4.2535 4.3271 4.8283 4.8500 4.9365 4.9946 5.3015 5.3511 5.4671 5.4820 9.3409 9.3483 9.5588 9.5693 10.0233 10.0327 10.3488 10.3563 10.5579 10.5643 k =-0.2232 0.2844 0.6977 ( 5905 PWs) bands (ev): -7.1440 -7.1428 -6.9825 -6.9820 -6.5633 -6.5617 -6.4734 -6.4703 -0.0850 -0.0755 0.1711 0.1784 1.2307 1.2454 1.3804 1.3927 1.7947 1.8515 2.0237 2.0489 2.0800 2.1073 2.1616 2.2306 2.2627 2.3082 2.4275 2.4576 2.5304 2.5611 2.5922 2.6313 3.1486 3.2051 3.2578 3.3313 3.3775 3.4153 3.5373 3.5916 4.0391 4.1194 4.2599 4.3273 4.7857 4.8069 4.9020 4.9589 5.2997 5.3460 5.4903 5.5036 9.3403 9.3473 9.5995 9.6083 9.9966 10.0070 10.3511 10.3583 10.5506 10.5574 k =-0.2319 0.2954 0.6837 ( 5903 PWs) bands (ev): -7.1536 -7.1525 -6.9790 -6.9784 -6.5660 -6.5645 -6.4647 -6.4615 -0.0941 -0.0842 0.1890 0.1964 1.2391 1.2535 1.4038 1.4171 1.7722 1.8255 2.0187 2.0449 2.0759 2.1078 2.1575 2.2383 2.2672 2.2990 2.4183 2.4594 2.5534 2.5829 2.6196 2.6436 3.1408 3.2122 3.2612 3.3378 3.3718 3.4021 3.5325 3.5934 4.0189 4.0889 4.2681 4.3290 4.7428 4.7653 4.8662 4.9214 5.2975 5.3405 5.5134 5.5254 9.3343 9.3409 9.6325 9.6384 9.9872 9.9989 10.3528 10.3594 10.5466 10.5542 k =-0.2405 0.3064 0.6697 ( 5905 PWs) bands (ev): -7.1626 -7.1615 -6.9762 -6.9753 -6.5686 -6.5670 -6.4563 -6.4529 -0.1026 -0.0925 0.2058 0.2131 1.2490 1.2629 1.4273 1.4417 1.7495 1.7993 2.0121 2.0374 2.0734 2.1089 2.1527 2.2440 2.2714 2.2933 2.4090 2.4601 2.5726 2.6067 2.6433 2.6618 3.1319 3.2196 3.2665 3.3440 3.3680 3.3890 3.5282 3.5957 3.9988 4.0577 4.2779 4.3323 4.7000 4.7261 4.8298 4.8826 5.2948 5.3348 5.5361 5.5469 9.3225 9.3287 9.6552 9.6573 9.9974 10.0108 10.3532 10.3588 10.5460 10.5545 k =-0.2492 0.3174 0.6557 ( 5899 PWs) bands (ev): -7.1707 -7.1697 -6.9738 -6.9728 -6.5709 -6.5694 -6.4483 -6.4447 -0.1105 -0.1002 0.2213 0.2286 1.2603 1.2736 1.4506 1.4660 1.7266 1.7732 2.0041 2.0279 2.0721 2.1100 2.1478 2.2459 2.2728 2.2953 2.4001 2.4600 2.5878 2.6322 2.6570 2.6906 3.1229 3.2269 3.2733 3.3472 3.3668 3.3777 3.5244 3.5983 3.9783 4.0264 4.2891 4.3377 4.6584 4.6897 4.7932 4.8433 5.2918 5.3289 5.5580 5.5679 9.3054 9.3114 9.6662 9.6680 10.0254 10.0403 10.3523 10.3566 10.5482 10.5572 k =-0.2578 0.3285 0.6417 ( 5899 PWs) bands (ev): -7.1780 -7.1771 -6.9719 -6.9708 -6.5731 -6.5715 -6.4408 -6.4370 -0.1178 -0.1073 0.2355 0.2427 1.2730 1.2853 1.4734 1.4898 1.7036 1.7475 1.9950 2.0173 2.0716 2.1104 2.1434 2.2418 2.2751 2.3026 2.3920 2.4590 2.6000 2.6545 2.6710 2.7214 3.1145 3.2338 3.2811 3.3419 3.3710 3.3714 3.5212 3.6012 3.9569 3.9958 4.3016 4.3452 4.6187 4.6562 4.7572 4.8038 5.2884 5.3231 5.5787 5.5876 9.2843 9.2902 9.6690 9.6740 10.0659 10.0818 10.3502 10.3532 10.5520 10.5611 k =-0.2665 0.3395 0.6277 ( 5893 PWs) bands (ev): -7.1845 -7.1837 -6.9704 -6.9691 -6.5750 -6.5734 -6.4339 -6.4300 -0.1243 -0.1136 0.2483 0.2553 1.2867 1.2979 1.4953 1.5126 1.6808 1.7226 1.9852 2.0061 2.0716 2.1099 2.1403 2.2335 2.2798 2.3115 2.3852 2.4571 2.6102 2.6662 2.6938 2.7509 3.1074 3.2400 3.2893 3.3299 3.3701 3.3792 3.5188 3.6040 3.9336 3.9673 4.3152 4.3554 4.5818 4.6257 4.7224 4.7645 5.2850 5.3174 5.5979 5.6060 9.2607 9.2667 9.6690 9.6765 10.1129 10.1290 10.3479 10.3497 10.5563 10.5654 k =-0.2751 0.3505 0.6137 ( 5903 PWs) bands (ev): -7.1902 -7.1894 -6.9692 -6.9678 -6.5766 -6.5751 -6.4277 -6.4237 -0.1301 -0.1193 0.2595 0.2663 1.3013 1.3110 1.5159 1.5340 1.6584 1.6988 1.9753 1.9948 2.0720 2.1080 2.1391 2.2235 2.2855 2.3200 2.3804 2.4544 2.6187 2.6728 2.7194 2.7776 3.1021 3.2445 3.2971 3.3160 3.3721 3.3889 3.5174 3.6064 3.9083 3.9419 4.3296 4.3682 4.5486 4.5981 4.6894 4.7258 5.2815 5.3120 5.6154 5.6225 9.2365 9.2427 9.6680 9.6775 10.1605 10.1766 10.3459 10.3481 10.5609 10.5704 k =-0.2838 0.3615 0.5997 ( 5907 PWs) bands (ev): -7.1950 -7.1943 -6.9683 -6.9668 -6.5780 -6.5765 -6.4223 -6.4182 -0.1351 -0.1241 0.2691 0.2757 1.3164 1.3244 1.5345 1.5536 1.6368 1.6766 1.9659 1.9838 2.0728 2.1050 2.1398 2.2131 2.2914 2.3264 2.3787 2.4507 2.6258 2.6774 2.7441 2.8004 3.0993 3.2462 3.3012 3.3059 3.3762 3.3994 3.5177 3.6075 3.8827 3.9193 4.3446 4.3840 4.5197 4.5730 4.6591 4.6882 5.2783 5.3072 5.6308 5.6369 9.2135 9.2198 9.6669 9.6780 10.2035 10.2195 10.3458 10.3499 10.5659 10.5765 k =-0.2924 0.3725 0.5857 ( 5905 PWs) bands (ev): -7.1990 -7.1983 -6.9676 -6.9660 -6.5792 -6.5777 -6.4178 -6.4136 -0.1392 -0.1282 0.2771 0.2834 1.3312 1.3375 1.5503 1.5708 1.6170 1.6567 1.9574 1.9735 2.0738 2.1014 2.1422 2.2028 2.2970 2.3295 2.3810 2.4459 2.6316 2.6808 2.7670 2.8182 3.0993 3.2435 3.2930 3.3099 3.3818 3.4102 3.5201 3.6062 3.8597 3.8987 4.3601 4.4022 4.4959 4.5501 4.6323 4.6521 5.2755 5.3030 5.6439 5.6489 9.1930 9.1993 9.6659 9.6782 10.2371 10.2527 10.3505 10.3564 10.5721 10.5842 k =-0.3011 0.3835 0.5716 ( 5909 PWs) bands (ev): -7.2021 -7.2014 -6.9671 -6.9654 -6.5801 -6.5786 -6.4142 -6.4100 -0.1424 -0.1314 0.2833 0.2894 1.3446 1.3497 1.5618 1.5850 1.6004 1.6400 1.9502 1.9644 2.0750 2.0977 2.1459 2.1929 2.3023 2.3295 2.3868 2.4402 2.6362 2.6831 2.7873 2.8305 3.1018 3.2361 3.2882 3.3135 3.3877 3.4204 3.5255 3.6014 3.8420 3.8797 4.3758 4.4221 4.4778 4.5289 4.6085 4.6194 5.2731 5.2996 5.6545 5.6583 9.1760 9.1824 9.6652 9.6783 10.2586 10.2726 10.3614 10.3673 10.5794 10.5933 k =-0.3097 0.3946 0.5576 ( 5909 PWs) bands (ev): -7.2043 -7.2037 -6.9667 -6.9650 -6.5808 -6.5793 -6.4117 -6.4074 -0.1447 -0.1336 0.2878 0.2937 1.3554 1.3603 1.5660 1.5908 1.5957 1.6275 1.9449 1.9571 2.0762 2.0945 2.1506 2.1838 2.3069 2.3276 2.3947 2.4336 2.6395 2.6845 2.8045 2.8369 3.1062 3.2264 3.2866 3.3158 3.3926 3.4289 3.5347 3.5922 3.8313 3.8628 4.3908 4.4407 4.4682 4.5100 4.5814 4.5984 5.2713 5.2970 5.6624 5.6650 9.1634 9.1698 9.6647 9.6784 10.2701 10.2815 10.3745 10.3793 10.5871 10.6026 k =-0.3184 0.4056 0.5436 ( 5908 PWs) bands (ev): -7.2056 -7.2050 -6.9665 -6.9648 -6.5812 -6.5797 -6.4101 -6.4058 -0.1461 -0.1350 0.2905 0.2963 1.3623 1.3679 1.5629 1.5892 1.6024 1.6201 1.9417 1.9523 2.0773 2.0921 2.1556 2.1761 2.3106 2.3252 2.4026 2.4269 2.6416 2.6853 2.8174 2.8381 3.1105 3.2183 3.2864 3.3170 3.3959 3.4344 3.5476 3.5789 3.8279 3.8495 4.4028 4.4483 4.4728 4.4971 4.5543 4.5881 5.2703 5.2955 5.6675 5.6688 9.1556 9.1620 9.6644 9.6784 10.2753 10.2846 10.3839 10.3883 10.5933 10.6096 k =-0.3270 0.4166 0.5296 ( 5908 PWs) bands (ev): -7.2060 -7.2055 -6.9665 -6.9647 -6.5813 -6.5798 -6.4096 -6.4052 -0.1466 -0.1355 0.2914 0.2972 1.3647 1.3707 1.5606 1.5894 1.6047 1.6177 1.9406 1.9507 2.0777 2.0913 2.1586 2.1723 2.3123 2.3240 2.4069 2.4230 2.6423 2.6855 2.8232 2.8371 3.1123 3.2151 3.2864 3.3174 3.3970 3.4363 3.5617 3.5646 3.8283 3.8434 4.4076 4.4491 4.4760 4.4969 4.5403 4.5848 5.2699 5.2950 5.6696 5.6696 9.1530 9.1594 9.6643 9.6785 10.2768 10.2853 10.3872 10.3916 10.5956 10.6123 k =-0.3270 0.4166 0.5296 ( 5908 PWs) bands (ev): -7.2060 -7.2055 -6.9665 -6.9647 -6.5813 -6.5798 -6.4096 -6.4052 -0.1466 -0.1355 0.2914 0.2972 1.3647 1.3707 1.5606 1.5894 1.6047 1.6177 1.9406 1.9507 2.0777 2.0913 2.1586 2.1723 2.3123 2.3240 2.4069 2.4230 2.6423 2.6855 2.8232 2.8371 3.1123 3.2151 3.2864 3.3174 3.3970 3.4363 3.5617 3.5646 3.8283 3.8434 4.4076 4.4491 4.4760 4.4969 4.5403 4.5848 5.2699 5.2950 5.6696 5.6696 9.1530 9.1594 9.6643 9.6785 10.2768 10.2853 10.3872 10.3916 10.5956 10.6123 k =-0.3182 0.4053 0.5153 ( 5912 PWs) bands (ev): -7.2185 -7.2179 -6.9489 -6.9471 -6.5862 -6.5846 -6.4078 -6.4034 -0.1657 -0.1552 0.3127 0.3183 1.3347 1.3445 1.5649 1.6000 1.6208 1.6249 1.9259 1.9352 2.0603 2.0796 2.1604 2.1688 2.3189 2.3356 2.4185 2.4381 2.6444 2.7049 2.8212 2.8387 3.1192 3.2266 3.2884 3.3150 3.4082 3.4489 3.5745 3.5785 3.8172 3.8254 4.3772 4.4329 4.4382 4.4705 4.5342 4.5641 5.2783 5.3014 5.6790 5.6804 9.1850 9.1909 9.7170 9.7303 10.3063 10.3123 10.3912 10.3960 10.6844 10.6995 k =-0.3093 0.3941 0.5010 ( 5910 PWs) bands (ev): -7.2324 -7.2319 -6.9307 -6.9289 -6.5897 -6.5880 -6.4060 -6.4015 -0.1856 -0.1758 0.3343 0.3396 1.3050 1.3183 1.5695 1.6089 1.6363 1.6393 1.9108 1.9182 2.0300 2.0739 2.1573 2.1786 2.3248 2.3453 2.4320 2.4542 2.6470 2.7229 2.8178 2.8384 3.1264 3.2382 3.2902 3.3131 3.4177 3.4621 3.5854 3.5922 3.8106 3.8116 4.3429 4.4027 4.4132 4.4425 4.5317 4.5517 5.2841 5.3057 5.6853 5.6879 9.2194 9.2247 9.7691 9.7813 10.3280 10.3323 10.3972 10.4026 10.7702 10.7836 k =-0.3005 0.3828 0.4867 ( 5896 PWs) bands (ev): -7.2477 -7.2472 -6.9121 -6.9102 -6.5918 -6.5901 -6.4042 -6.3996 -0.2061 -0.1971 0.3560 0.3611 1.2761 1.2925 1.5744 1.6149 1.6517 1.6592 1.8956 1.9005 2.0008 2.0615 2.1625 2.1878 2.3295 2.3530 2.4473 2.4713 2.6503 2.7384 2.8142 2.8360 3.1336 3.2498 3.2916 3.3115 3.4253 3.4752 3.5943 3.6049 3.8024 3.8086 4.3069 4.3688 4.3906 4.4141 4.5326 4.5472 5.2869 5.3077 5.6886 5.6924 9.2556 9.2603 9.8192 9.8302 10.3429 10.3459 10.4053 10.4117 10.8516 10.8629 k =-0.2917 0.3716 0.4724 ( 5890 PWs) bands (ev): -7.2643 -7.2638 -6.8930 -6.8911 -6.5926 -6.5908 -6.4023 -6.3977 -0.2273 -0.2191 0.3779 0.3827 1.2484 1.2675 1.5795 1.6190 1.6692 1.6796 1.8808 1.8829 1.9735 2.0461 2.1725 2.1963 2.3330 2.3591 2.4641 2.4892 2.6542 2.7492 2.8124 2.8317 3.1406 3.2609 3.2923 3.3103 3.4308 3.4873 3.6016 3.6160 3.7982 3.8110 4.2708 4.3362 4.3662 4.3866 4.5369 4.5492 5.2867 5.3071 5.6892 5.6939 9.2930 9.2970 9.8662 9.8758 10.3521 10.3544 10.4160 10.4233 10.9269 10.9358 k =-0.2828 0.3603 0.4581 ( 5898 PWs) bands (ev): -7.2821 -7.2817 -6.8736 -6.8716 -6.5921 -6.5903 -6.4005 -6.3958 -0.2490 -0.2416 0.3999 0.4045 1.2219 1.2437 1.5846 1.6215 1.6867 1.6990 1.8661 1.8667 1.9487 2.0308 2.1850 2.2040 2.3352 2.3640 2.4819 2.5076 2.6588 2.7526 2.8156 2.8253 3.1472 3.2710 3.2919 3.3096 3.4340 3.4976 3.6076 3.6248 3.7990 3.8172 4.2361 4.3054 4.3417 4.3608 4.5442 4.5564 5.2831 5.3037 5.6872 5.6927 9.3311 9.3344 9.9083 9.9167 10.3572 10.3589 10.4293 10.4378 10.9942 11.0005 k =-0.2740 0.3490 0.4437 ( 5892 PWs) bands (ev): -7.3010 -7.3006 -6.8538 -6.8517 -6.5904 -6.5885 -6.3986 -6.3939 -0.2711 -0.2646 0.4221 0.4265 1.1970 1.2211 1.5895 1.6225 1.7024 1.7156 1.8512 1.8539 1.9280 2.0172 2.1988 2.2109 2.3366 2.3684 2.5000 2.5265 2.6641 2.7482 2.8173 2.8243 3.1532 3.2795 3.2903 3.3093 3.4348 3.5052 3.6127 3.6311 3.8046 3.8266 4.2036 4.2772 4.3184 4.3379 4.5545 4.5678 5.2762 5.2975 5.6829 5.6891 9.3689 9.3715 9.9439 9.9511 10.3597 10.3610 10.4456 10.4551 11.0067 11.0451 k =-0.2652 0.3378 0.4294 ( 5888 PWs) bands (ev): -7.3208 -7.3204 -6.8338 -6.8316 -6.5875 -6.5857 -6.3967 -6.3920 -0.2936 -0.2879 0.4445 0.4486 1.1737 1.2001 1.5940 1.6216 1.7144 1.7265 1.8394 1.8430 1.9137 2.0068 2.2134 2.2170 2.3375 2.3728 2.5180 2.5455 2.6697 2.7387 2.8077 2.8358 3.1580 3.2863 3.2874 3.3094 3.4330 3.5096 3.6171 3.6352 3.8141 3.8382 4.1740 4.2530 4.2971 4.3187 4.5676 4.5830 5.2658 5.2882 5.6766 5.6836 9.4054 9.4075 9.9713 9.9775 10.3614 10.3621 10.4646 10.4752 10.9746 11.0037 k =-0.2563 0.3265 0.4151 ( 5890 PWs) bands (ev): -7.3414 -7.3411 -6.8135 -6.8113 -6.5836 -6.5818 -6.3949 -6.3901 -0.3164 -0.3115 0.4672 0.4711 1.1521 1.1807 1.5978 1.6184 1.7208 1.7289 1.8316 1.8335 1.9089 2.0004 2.2222 2.2285 2.3383 2.3775 2.5353 2.5642 2.6753 2.7264 2.7971 2.8482 3.1612 3.2833 3.2910 3.3096 3.4285 3.5105 3.6206 3.6374 3.8260 3.8508 4.1477 4.2344 4.2787 4.3040 4.5834 4.6014 5.2520 5.2759 5.6687 5.6765 9.4394 9.4410 9.9891 9.9947 10.3633 10.3633 10.4864 10.4981 10.9201 10.9403 k =-0.2475 0.3153 0.4008 ( 5896 PWs) bands (ev): -7.3626 -7.3623 -6.7931 -6.7909 -6.5788 -6.5769 -6.3930 -6.3883 -0.3393 -0.3352 0.4901 0.4939 1.1325 1.1631 1.6004 1.6128 1.7210 1.7224 1.8244 1.8280 1.9151 1.9985 2.2267 2.2442 2.3394 2.3828 2.5513 2.5825 2.6803 2.7129 2.7862 2.8601 3.1621 3.2787 3.2936 3.3097 3.4212 3.5078 3.6230 3.6386 3.8389 3.8633 4.1251 4.2229 4.2636 4.2946 4.6019 4.6227 5.2348 5.2606 5.6596 5.6683 9.4689 9.4702 9.9970 10.0026 10.3642 10.3654 10.5107 10.5235 10.8521 10.8657 k =-0.2386 0.3040 0.3865 ( 5898 PWs) bands (ev): -7.3843 -7.3840 -6.7726 -6.7704 -6.5732 -6.5713 -6.3912 -6.3865 -0.3623 -0.3590 0.5134 0.5171 1.1148 1.1473 1.6016 1.6045 1.7093 1.7156 1.8157 1.8276 1.9302 2.0009 2.2306 2.2606 2.3412 2.3887 2.5652 2.6000 2.6836 2.6991 2.7762 2.8711 3.1599 3.2741 3.2943 3.3093 3.4114 3.5020 3.6241 3.6391 3.8514 3.8744 4.1069 4.2197 4.2523 4.2913 4.6228 4.6467 5.2143 5.2423 5.6497 5.6593 9.4915 9.4927 9.9966 10.0028 10.3615 10.3650 10.5372 10.5510 10.7799 10.7896 k =-0.2298 0.2927 0.3722 ( 5910 PWs) bands (ev): -7.4063 -7.4061 -6.7520 -6.7498 -6.5669 -6.5650 -6.3894 -6.3848 -0.3854 -0.3827 0.5372 0.5408 1.0992 1.1334 1.5938 1.6010 1.6921 1.7064 1.8082 1.8289 1.9506 2.0067 2.2341 2.2779 2.3439 2.3951 2.5761 2.6160 2.6834 2.6861 2.7690 2.8807 3.1537 3.2702 3.2927 3.3084 3.3995 3.4933 3.6241 3.6394 3.8625 3.8827 4.0937 4.2253 4.2447 4.2948 4.6462 4.6731 5.1906 5.2212 5.6394 5.6499 9.5039 9.5053 9.9918 9.9990 10.3478 10.3553 10.5654 10.5803 10.7143 10.7230 k =-0.2210 0.2815 0.3579 ( 5906 PWs) bands (ev): -7.4285 -7.4283 -6.7315 -6.7293 -6.5600 -6.5582 -6.3876 -6.3831 -0.4083 -0.4063 0.5615 0.5651 1.0857 1.1216 1.5809 1.5983 1.6728 1.6947 1.8026 1.8313 1.9736 2.0142 2.2377 2.2963 2.3477 2.4019 2.5826 2.6299 2.6752 2.6782 2.7669 2.8887 3.1433 3.2677 3.2883 3.3077 3.3858 3.4822 3.6237 3.6399 3.8715 3.8876 4.0863 4.2393 4.2409 4.3053 4.6718 4.7017 5.1640 5.1973 5.6291 5.6407 9.5024 9.5040 9.9876 9.9962 10.3123 10.3254 10.5943 10.6106 10.6685 10.6784 k =-0.2121 0.2702 0.3435 ( 5912 PWs) bands (ev): -7.4508 -7.4505 -6.7111 -6.7089 -6.5526 -6.5508 -6.3859 -6.3815 -0.4311 -0.4298 0.5863 0.5900 1.0744 1.1118 1.5665 1.5934 1.6526 1.6814 1.7992 1.8342 1.9972 2.0221 2.2415 2.3158 2.3528 2.4084 2.5834 2.6401 2.6676 2.6680 2.7706 2.8946 3.1288 3.2663 3.2810 3.3071 3.3710 3.4693 3.6236 3.6407 3.8780 3.8888 4.0846 4.2404 4.2612 4.3228 4.6995 4.7323 5.1346 5.1710 5.6191 5.6318 9.4839 9.4857 9.9890 9.9990 10.2500 10.2680 10.6221 10.6407 10.6518 10.6620 k =-0.2033 0.2590 0.3292 ( 5914 PWs) bands (ev): -7.4729 -7.4727 -6.6909 -6.6887 -6.5448 -6.5431 -6.3842 -6.3799 -0.4537 -0.4529 0.6118 0.6156 1.0653 1.1042 1.5510 1.5862 1.6324 1.6670 1.7979 1.8377 2.0204 2.0291 2.2461 2.3358 2.3595 2.4143 2.5782 2.6401 2.6599 2.6635 2.7793 2.8983 3.1113 3.2658 3.2714 3.3065 3.3557 3.4555 3.6244 3.6423 3.8820 3.8871 4.0875 4.2429 4.2899 4.3467 4.7291 4.7647 5.1028 5.1426 5.6098 5.6237 9.4474 9.4492 9.9983 10.0101 10.1670 10.1878 10.6447 10.6629 10.6664 10.6716 k =-0.1944 0.2477 0.3149 ( 5910 PWs) bands (ev): -7.4948 -7.4946 -6.6708 -6.6687 -6.5367 -6.5351 -6.3826 -6.3784 -0.4759 -0.4756 0.6381 0.6421 1.0584 1.0987 1.5347 1.5768 1.6129 1.6519 1.7984 1.8416 2.0348 2.0422 2.2519 2.3538 2.3698 2.4188 2.5685 2.6243 2.6603 2.6613 2.7917 2.8997 3.0919 3.2600 3.2654 3.3058 3.3409 3.4418 3.6267 3.6448 3.8839 3.8841 4.0937 4.2477 4.3244 4.3766 4.7604 4.7986 5.0688 5.1125 5.6014 5.6165 9.3943 9.3958 10.0103 10.0287 10.0779 10.0952 10.6660 10.6862 10.6885 10.6946 k =-0.1856 0.2364 0.3006 ( 5921 PWs) bands (ev): -7.5164 -7.5162 -6.6511 -6.6490 -6.5285 -6.5269 -6.3810 -6.3769 -0.4979 -0.4978 0.6651 0.6694 1.0538 1.0954 1.5182 1.5652 1.5944 1.6365 1.8004 1.8456 2.0387 2.0618 2.2591 2.3656 2.3866 2.4212 2.5562 2.6027 2.6588 2.6601 2.8066 2.8985 3.0723 3.2479 3.2643 3.3047 3.3274 3.4294 3.6303 3.6481 3.8810 3.8844 4.1018 4.2543 4.3634 4.4115 4.7927 4.8338 5.0332 5.0814 5.5942 5.6105 9.3274 9.3285 9.9545 9.9881 10.0581 10.0624 10.6833 10.7083 10.7124 10.7181 k =-0.1768 0.2252 0.2863 ( 5925 PWs) bands (ev): -7.5376 -7.5374 -6.6318 -6.6297 -6.5201 -6.5185 -6.3795 -6.3756 -0.5197 -0.5192 0.6931 0.6976 1.0514 1.0942 1.5017 1.5518 1.5775 1.6209 1.8034 1.8496 2.0410 2.0787 2.2680 2.3737 2.4057 2.4209 2.5426 2.5790 2.6545 2.6565 2.8229 2.8949 3.0538 3.2356 3.2618 3.3032 3.3164 3.4195 3.6352 3.6524 3.8790 3.8843 4.1106 4.2620 4.4061 4.4507 4.8253 4.8700 4.9965 5.0505 5.5884 5.6058 9.2498 9.2505 9.8520 9.8847 10.0887 10.0952 10.6805 10.7018 10.7450 10.7525 k =-0.1679 0.2139 0.2720 ( 5923 PWs) bands (ev): -7.5583 -7.5581 -6.6129 -6.6108 -6.5116 -6.5102 -6.3781 -6.3743 -0.5409 -0.5400 0.7220 0.7269 1.0513 1.0952 1.4855 1.5368 1.5623 1.6055 1.8070 1.8533 2.0420 2.0926 2.2785 2.3805 2.4176 2.4221 2.5283 2.5550 2.6475 2.6498 2.8393 2.8892 3.0381 3.2236 3.2576 3.3015 3.3087 3.4132 3.6407 3.6573 3.8792 3.8843 4.1194 4.2701 4.4511 4.4930 4.8566 4.9066 4.9596 5.0218 5.5841 5.6025 9.1642 9.1644 9.7458 9.7789 10.1274 10.1343 10.6497 10.6674 10.7824 10.7899 k =-0.1591 0.2027 0.2577 ( 5935 PWs) bands (ev): -7.5784 -7.5782 -6.5945 -6.5924 -6.5032 -6.5018 -6.3767 -6.3731 -0.5614 -0.5602 0.7519 0.7572 1.0533 1.0983 1.4697 1.5211 1.5483 1.5904 1.8108 1.8564 2.0420 2.1033 2.2901 2.3862 2.4113 2.4314 2.5132 2.5324 2.6377 2.6416 2.8544 2.8816 3.0265 3.2124 3.2526 3.2993 3.3040 3.4114 3.6464 3.6623 3.8821 3.8853 4.1276 4.2782 4.4971 4.5374 4.8822 4.9195 4.9473 5.0003 5.5813 5.6006 9.0726 9.0729 9.6397 9.6734 10.1709 10.1777 10.5951 10.6097 10.8221 10.8288 k =-0.1503 0.1914 0.2433 ( 5923 PWs) bands (ev): -7.5978 -7.5976 -6.5766 -6.5746 -6.4949 -6.4936 -6.3754 -6.3719 -0.5812 -0.5798 0.7829 0.7886 1.0575 1.1034 1.4545 1.5055 1.5352 1.5758 1.8146 1.8588 2.0412 2.1109 2.3017 2.3902 2.4029 2.4291 2.4967 2.5132 2.6255 2.6350 2.8666 2.8730 3.0200 3.2020 3.2484 3.2970 3.3016 3.4146 3.6516 3.6669 3.8882 3.8882 4.1349 4.2857 4.5422 4.5820 4.8861 4.8935 4.9838 4.9964 5.5801 5.6000 8.9769 8.9776 9.5352 9.5692 10.2181 10.2247 10.5259 10.5382 10.8628 10.8684 k =-0.1414 0.1802 0.2290 ( 5923 PWs) bands (ev): -7.6164 -7.6162 -6.5594 -6.5575 -6.4867 -6.4855 -6.3742 -6.3709 -0.6001 -0.5985 0.8150 0.8212 1.0636 1.1104 1.4401 1.4903 1.5229 1.5619 1.8180 1.8600 2.0399 2.1157 2.3113 2.3899 2.3936 2.4157 2.4782 2.4960 2.6119 2.6338 2.8638 2.8748 3.0189 3.1926 3.2469 3.2942 3.3006 3.4230 3.6560 3.6706 3.8936 3.8976 4.1412 4.2923 4.5830 4.6229 4.8571 4.8885 5.0144 5.0215 5.5803 5.6007 8.8787 8.8797 9.4331 9.4672 10.2686 10.2747 10.4490 10.4598 10.9033 10.9079 k =-0.1326 0.1689 0.2147 ( 5931 PWs) bands (ev): -7.6342 -7.6340 -6.5428 -6.5410 -6.4787 -6.4776 -6.3731 -6.3700 -0.6183 -0.6165 0.8482 0.8550 1.0717 1.1191 1.4267 1.4759 1.5114 1.5488 1.8206 1.8599 2.0383 2.1178 2.3162 2.3759 2.3844 2.4036 2.4585 2.4768 2.5984 2.6394 2.8544 2.8789 3.0217 3.1841 3.2491 3.2911 3.3009 3.4362 3.6592 3.6730 3.9020 3.9104 4.1465 4.2976 4.6143 4.6526 4.8412 4.8824 5.0441 5.0590 5.5820 5.6026 8.7792 8.7805 9.3341 9.3680 10.3219 10.3271 10.3691 10.3784 10.9432 10.9466 k =-0.1237 0.1576 0.2004 ( 5931 PWs) bands (ev): -7.6511 -7.6509 -6.5271 -6.5253 -6.4709 -6.4699 -6.3720 -6.3691 -0.6355 -0.6337 0.8825 0.8900 1.0815 1.1295 1.4143 1.4625 1.5008 1.5366 1.8221 1.8582 2.0365 2.1173 2.3142 2.3478 2.3741 2.3947 2.4396 2.4567 2.5869 2.6505 2.8454 2.8801 3.0264 3.1766 3.2548 3.2875 3.3034 3.4539 3.6613 3.6740 3.9136 3.9261 4.1507 4.3016 4.6296 4.6599 4.8494 4.8889 5.0778 5.0960 5.5849 5.6055 8.6794 8.6811 9.2388 9.2722 10.2871 10.2963 10.3779 10.3834 10.9817 10.9841 k =-0.1149 0.1464 0.1861 ( 5931 PWs) bands (ev): -7.6671 -7.6669 -6.5121 -6.5104 -6.4635 -6.4625 -6.3710 -6.3684 -0.6517 -0.6499 0.9181 0.9261 1.0928 1.1411 1.4031 1.4503 1.4912 1.5257 1.8222 1.8543 2.0348 2.1142 2.3056 2.3148 2.3581 2.3773 2.4252 2.4418 2.5799 2.6645 2.8370 2.8797 3.0308 3.1699 3.2618 3.2834 3.3105 3.4752 3.6624 3.6736 3.9283 3.9442 4.1541 4.3039 4.6262 4.6445 4.8818 4.9130 5.1126 5.1321 5.5889 5.6092 8.5805 8.5824 9.1477 9.1804 10.2068 10.2153 10.4364 10.4411 11.0185 11.0200 k =-0.1061 0.1351 0.1718 ( 5923 PWs) bands (ev): -7.6820 -7.6819 -6.4980 -6.4964 -6.4564 -6.4555 -6.3702 -6.3677 -0.6670 -0.6651 0.9548 0.9635 1.1054 1.1537 1.3933 1.4393 1.4829 1.5161 1.8203 1.8479 2.0329 2.1085 2.2800 2.2919 2.3343 2.3495 2.4152 2.4340 2.5793 2.6795 2.8291 2.8790 3.0338 3.1640 3.2664 3.2788 3.3253 3.4992 3.6627 3.6721 3.9455 3.9642 4.1567 4.3046 4.6084 4.6172 4.9276 4.9513 5.1473 5.1670 5.5939 5.6136 8.4831 8.4852 9.0613 9.0929 10.1286 10.1365 10.4972 10.5013 11.0532 11.0540 k =-0.0972 0.1239 0.1575 ( 5933 PWs) bands (ev): -7.6960 -7.6959 -6.4848 -6.4833 -6.4496 -6.4489 -6.3694 -6.3672 -0.6811 -0.6793 0.9926 1.0020 1.1188 1.1668 1.3850 1.4294 1.4762 1.5080 1.8158 1.8384 2.0309 2.1000 2.2446 2.2734 2.3072 2.3162 2.4059 2.4298 2.5861 2.6939 2.8219 2.8789 3.0348 3.1586 3.2673 3.2738 3.3479 3.5249 3.6623 3.6698 3.9649 3.9852 4.1588 4.3035 4.5821 4.5852 4.9792 4.9979 5.1809 5.2003 5.5995 5.6185 8.3883 8.3905 8.9800 9.0103 10.0536 10.0610 10.5601 10.5635 11.0856 11.0857 k =-0.0884 0.1126 0.1431 ( 5921 PWs) bands (ev): -7.7088 -7.7087 -6.4726 -6.4712 -6.4433 -6.4426 -6.3687 -6.3667 -0.6942 -0.6924 1.0315 1.0417 1.1328 1.1797 1.3785 1.4208 1.4716 1.5020 1.8083 1.8254 2.0283 2.0888 2.2095 2.2482 2.2819 2.2833 2.3959 2.4266 2.5993 2.7070 2.8153 2.8803 3.0341 3.1535 3.2657 3.2685 3.3761 3.5513 3.6615 3.6671 3.9859 4.0068 4.1608 4.3007 4.5518 4.5521 5.0328 5.0484 5.2132 5.2320 5.6057 5.6237 8.2968 8.2991 8.9042 8.9329 9.9825 9.9894 10.6250 10.6277 11.1150 11.1154 k =-0.0795 0.1013 0.1288 ( 5921 PWs) bands (ev): -7.7205 -7.7205 -6.4614 -6.4601 -6.4374 -6.4368 -6.3681 -6.3664 -0.7061 -0.7045 1.0714 1.0823 1.1468 1.1919 1.3738 1.4131 1.4694 1.4982 1.7970 1.8084 2.0245 2.0747 2.1755 2.2170 2.2492 2.2643 2.3859 2.4232 2.6172 2.7182 2.8092 2.8833 3.0320 3.1485 3.2626 3.2630 3.4076 3.5774 3.6606 3.6642 4.0080 4.0283 4.1630 4.2961 4.5192 4.5197 5.0863 5.1001 5.2437 5.2617 5.6122 5.6290 8.2095 8.2119 8.8344 8.8612 9.9162 9.9226 10.6917 10.6937 11.1418 11.1424 k =-0.0707 0.0901 0.1145 ( 5925 PWs) bands (ev): -7.7311 -7.7311 -6.4513 -6.4501 -6.4320 -6.4315 -6.3676 -6.3661 -0.7169 -0.7153 1.1123 1.1239 1.1604 1.2027 1.3710 1.4065 1.4701 1.4971 1.7814 1.7872 2.0183 2.0579 2.1437 2.1843 2.2202 2.2480 2.3770 2.4193 2.6383 2.7273 2.8037 2.8876 3.0293 3.1432 3.2574 3.2587 3.4406 3.6022 3.6594 3.6614 4.0307 4.0491 4.1660 4.2899 4.4873 4.4874 5.1385 5.1510 5.2720 5.2890 5.6188 5.6342 8.1274 8.1298 8.7709 8.7956 9.8552 9.8611 10.7599 10.7612 11.1658 11.1666 k =-0.0619 0.0788 0.1002 ( 5923 PWs) bands (ev): -7.7405 -7.7405 -6.4423 -6.4413 -6.4270 -6.4266 -6.3672 -6.3659 -0.7264 -0.7250 1.1540 1.1663 1.1730 1.2115 1.3698 1.4006 1.4741 1.4992 1.7611 1.7616 2.0075 2.0381 2.1164 2.1536 2.1959 2.2330 2.3701 2.4148 2.6614 2.7345 2.7987 2.8925 3.0265 3.1375 3.2520 3.2545 3.4741 3.6245 3.6584 3.6589 4.0537 4.0688 4.1703 4.2819 4.4555 4.4572 5.1880 5.1996 5.2979 5.3140 5.6253 5.6392 8.0513 8.0537 8.7142 8.7364 9.8001 9.8054 10.8295 10.8300 11.1871 11.1879 k =-0.0530 0.0676 0.0859 ( 5919 PWs) bands (ev): -7.7487 -7.7487 -6.4346 -6.4337 -6.4226 -6.4222 -6.3669 -6.3658 -0.7348 -0.7335 1.1844 1.1964 1.2093 1.2181 1.3699 1.3954 1.4815 1.5046 1.7319 1.7360 1.9903 2.0151 2.0962 2.1274 2.1770 2.2189 2.3654 2.4097 2.6853 2.7400 2.7944 2.8965 3.0249 3.1310 3.2469 3.2501 3.5071 3.6431 3.6568 3.6579 4.0766 4.0872 4.1762 4.2725 4.4251 4.4290 5.2338 5.2448 5.3212 5.3363 5.6315 5.6437 7.9824 7.9846 8.6645 8.6841 9.7515 9.7561 10.8999 10.9003 11.2055 11.2062 k =-0.0442 0.0563 0.0716 ( 5921 PWs) bands (ev): -7.7557 -7.7557 -6.4281 -6.4273 -6.4186 -6.4183 -6.3667 -6.3657 -0.7418 -0.7407 1.1941 1.2224 1.2392 1.2526 1.3706 1.3908 1.4919 1.5131 1.6989 1.7066 1.9670 1.9890 2.0835 2.1070 2.1634 2.2057 2.3631 2.4042 2.7091 2.7442 2.7912 2.8977 3.0254 3.1236 3.2423 3.2459 3.5387 3.6532 3.6550 3.6616 4.0991 4.1041 4.1837 4.2615 4.3964 4.4029 5.2746 5.2851 5.3418 5.3558 5.6372 5.6476 7.9216 7.9236 8.6222 8.6388 9.7096 9.7136 10.9705 10.9718 11.2210 11.2214 k =-0.0354 0.0450 0.0573 ( 5933 PWs) bands (ev): -7.7614 -7.7614 -6.4228 -6.4223 -6.4151 -6.4149 -6.3665 -6.3657 -0.7476 -0.7467 1.2023 1.2247 1.2820 1.2957 1.3716 1.3868 1.5047 1.5236 1.6635 1.6738 1.9412 1.9612 2.0762 2.0922 2.1546 2.1933 2.3627 2.3984 2.7312 2.7477 2.7899 2.8949 3.0291 3.1149 3.2386 3.2420 3.5684 3.6537 3.6537 3.6703 4.1201 4.1210 4.1922 4.2494 4.3702 4.3792 5.3094 5.3191 5.3599 5.3726 5.6423 5.6508 7.8700 7.8718 8.5875 8.6011 9.6749 9.6782 11.0416 11.0439 11.2334 11.2335 k =-0.0265 0.0338 0.0429 ( 5937 PWs) bands (ev): -7.7659 -7.7659 -6.4189 -6.4185 -6.4121 -6.4121 -6.3664 -6.3658 -0.7521 -0.7514 1.2089 1.2255 1.3242 1.3377 1.3727 1.3834 1.5184 1.5344 1.6273 1.6391 1.9168 1.9342 2.0721 2.0821 2.1502 2.1820 2.3640 2.3924 2.7486 2.7506 2.7934 2.8873 3.0362 3.1051 3.2357 3.2387 3.5954 3.6529 3.6530 3.6748 4.1356 4.1417 4.2005 4.2362 4.3475 4.3583 5.3369 5.3452 5.3759 5.3865 5.6467 5.6532 7.8287 7.8301 8.5606 8.5710 9.6478 9.6502 11.1128 11.1161 11.2424 11.2427 k =-0.0177 0.0225 0.0286 ( 5953 PWs) bands (ev): -7.7691 -7.7691 -6.4163 -6.4160 -6.4099 -6.4098 -6.3662 -6.3659 -0.7553 -0.7548 1.2141 1.2250 1.3642 1.3735 1.3770 1.3807 1.5307 1.5420 1.5939 1.6049 1.8974 1.9106 2.0699 2.0755 2.1493 2.1719 2.3668 2.3865 2.7533 2.7571 2.8052 2.8753 3.0460 3.0941 3.2339 3.2361 3.6192 3.6522 3.6525 3.6741 4.1507 4.1604 4.2065 4.2227 4.3300 4.3405 5.3564 5.3622 5.3899 5.3972 5.6502 5.6546 7.7985 7.7995 8.5418 8.5488 9.6283 9.6300 11.1831 11.1875 11.2483 11.2490 k =-0.0088 0.0113 0.0143 ( 5957 PWs) bands (ev): -7.7710 -7.7710 -6.4147 -6.4146 -6.4084 -6.4084 -6.3661 -6.3660 -0.7571 -0.7569 1.2182 1.2236 1.3749 1.3782 1.3986 1.4074 1.5372 1.5406 1.5723 1.5776 1.8860 1.8932 2.0690 2.0715 2.1516 2.1633 2.3707 2.3807 2.7557 2.7588 2.8229 2.8599 3.0576 3.0823 3.2330 3.2342 3.6388 3.6515 3.6529 3.6681 4.1651 4.1743 4.2082 4.2108 4.3201 4.3270 5.3682 5.3710 5.4002 5.4038 5.6529 5.6551 7.7802 7.7807 8.5312 8.5347 9.6167 9.6176 11.2437 11.2458 11.2547 11.2596 k = 0.0000 0.0000 0.0000 ( 5977 PWs) bands (ev): -7.7717 -7.7717 -6.4142 -6.4142 -6.4079 -6.4079 -6.3661 -6.3661 -0.7577 -0.7577 1.2213 1.2213 1.3763 1.3763 1.4171 1.4171 1.5356 1.5356 1.5680 1.5680 1.8845 1.8845 2.0695 2.0695 2.1564 2.1564 2.3754 2.3754 2.7577 2.7577 2.8419 2.8419 3.0699 3.0699 3.2331 3.2331 3.6497 3.6497 3.6581 3.6581 4.1759 4.1759 4.2065 4.2065 4.3193 4.3193 5.3728 5.3728 5.4050 5.4050 5.6545 5.6545 7.7742 7.7742 8.5288 8.5288 9.6131 9.6131 11.2504 11.2504 11.2616 11.2616 k = 0.0000 0.0000 0.0000 ( 5977 PWs) bands (ev): -7.7717 -7.7717 -6.4142 -6.4142 -6.4079 -6.4079 -6.3661 -6.3661 -0.7577 -0.7577 1.2213 1.2213 1.3763 1.3763 1.4171 1.4171 1.5356 1.5356 1.5680 1.5680 1.8845 1.8845 2.0695 2.0695 2.1564 2.1564 2.3754 2.3754 2.7577 2.7577 2.8419 2.8419 3.0699 3.0699 3.2331 3.2331 3.6497 3.6497 3.6581 3.6581 4.1759 4.1759 4.2065 4.2065 4.3193 4.3193 5.3728 5.3728 5.4050 5.4050 5.6545 5.6545 7.7742 7.7742 8.5288 8.5288 9.6131 9.6131 11.2504 11.2504 11.2616 11.2616 k = 0.0161 0.0127-0.0000 ( 5953 PWs) bands (ev): -7.7709 -7.7709 -6.4142 -6.4142 -6.4080 -6.4080 -6.3672 -6.3672 -0.7565 -0.7565 1.2137 1.2137 1.3719 1.3719 1.4289 1.4289 1.5363 1.5363 1.5686 1.5686 1.8837 1.8837 2.0698 2.0698 2.1573 2.1573 2.3760 2.3760 2.7562 2.7562 2.8413 2.8413 3.0694 3.0694 3.2331 3.2331 3.6492 3.6492 3.6574 3.6574 4.1772 4.1772 4.2084 4.2084 4.3221 4.3221 5.3711 5.3711 5.4034 5.4034 5.6505 5.6505 7.7808 7.7808 8.5313 8.5313 9.6142 9.6142 11.2044 11.2044 11.2202 11.2202 k = 0.0323 0.0253-0.0000 ( 5953 PWs) bands (ev): -7.7688 -7.7688 -6.4143 -6.4143 -6.4081 -6.4081 -6.3707 -6.3707 -0.7530 -0.7530 1.1925 1.1925 1.3674 1.3674 1.4535 1.4535 1.5386 1.5386 1.5706 1.5706 1.8815 1.8815 2.0708 2.0708 2.1599 2.1599 2.3780 2.3780 2.7517 2.7517 2.8394 2.8394 3.0678 3.0678 3.2328 3.2328 3.6476 3.6476 3.6550 3.6550 4.1811 4.1811 4.2138 4.2138 4.3300 4.3300 5.3661 5.3661 5.3984 5.3984 5.6390 5.6390 7.8005 7.8005 8.5385 8.5385 9.6176 9.6176 11.1330 11.1330 11.1487 11.1487 k = 0.0484 0.0380-0.0000 ( 5917 PWs) bands (ev): -7.7651 -7.7651 -6.4145 -6.4145 -6.4084 -6.4084 -6.3765 -6.3765 -0.7473 -0.7473 1.1618 1.1618 1.3679 1.3679 1.4816 1.4816 1.5426 1.5426 1.5738 1.5738 1.8778 1.8778 2.0725 2.0725 2.1642 2.1642 2.3816 2.3816 2.7445 2.7445 2.8363 2.8363 3.0653 3.0653 3.2325 3.2325 3.6451 3.6451 3.6509 3.6509 4.1878 4.1878 4.2228 4.2228 4.3427 4.3427 5.3578 5.3578 5.3902 5.3902 5.6203 5.6203 7.8327 7.8327 8.5505 8.5505 9.6231 9.6231 11.0558 11.0558 11.0700 11.0700 k = 0.0645 0.0506-0.0000 ( 5913 PWs) bands (ev): -7.7600 -7.7600 -6.4148 -6.4148 -6.4087 -6.4087 -6.3846 -6.3846 -0.7392 -0.7392 1.1254 1.1254 1.3728 1.3728 1.5095 1.5095 1.5484 1.5484 1.5784 1.5784 1.8726 1.8726 2.0747 2.0747 2.1700 2.1700 2.3866 2.3866 2.7348 2.7348 2.8320 2.8320 3.0618 3.0618 3.2319 3.2319 3.6416 3.6416 3.6452 3.6452 4.1973 4.1973 4.2349 4.2349 4.3596 4.3596 5.3462 5.3462 5.3788 5.3788 5.5954 5.5954 7.8764 7.8764 8.5673 8.5673 9.6308 9.6308 10.9745 10.9745 10.9872 10.9872 k = 0.0806 0.0633-0.0000 ( 5917 PWs) bands (ev): -7.7535 -7.7535 -6.4152 -6.4152 -6.4091 -6.4091 -6.3949 -6.3949 -0.7289 -0.7289 1.0855 1.0855 1.3813 1.3813 1.5343 1.5343 1.5575 1.5575 1.5843 1.5843 1.8662 1.8662 2.0774 2.0774 2.1770 2.1770 2.3935 2.3935 2.7232 2.7232 2.8264 2.8264 3.0575 3.0575 3.2312 3.2312 3.6366 3.6366 3.6385 3.6385 4.2099 4.2099 4.2502 4.2502 4.3802 4.3802 5.3316 5.3316 5.3644 5.3644 5.5654 5.5654 7.9307 7.9307 8.5888 8.5888 9.6408 9.6408 10.8899 10.8899 10.9015 10.9015 k = 0.0968 0.0760-0.0000 ( 5909 PWs) bands (ev): -7.7455 -7.7455 -6.4156 -6.4156 -6.4096 -6.4096 -6.4073 -6.4073 -0.7165 -0.7165 1.0437 1.0437 1.3927 1.3927 1.5517 1.5517 1.5726 1.5726 1.5919 1.5919 1.8584 1.8584 2.0805 2.0805 2.1849 2.1849 2.4024 2.4024 2.7100 2.7100 2.8198 2.8198 3.0527 3.0527 3.2304 3.2304 3.6275 3.6275 3.6336 3.6336 4.2254 4.2254 4.2681 4.2681 4.4037 4.4037 5.3141 5.3141 5.3471 5.3471 5.5313 5.5313 7.9943 7.9943 8.6148 8.6148 9.6529 9.6529 10.8024 10.8024 10.8132 10.8132 k = 0.1129 0.0886-0.0000 ( 5917 PWs) bands (ev): -7.7361 -7.7361 -6.4223 -6.4223 -6.4158 -6.4158 -6.4102 -6.4102 -0.7020 -0.7020 1.0007 1.0007 1.4066 1.4066 1.5635 1.5635 1.5902 1.5902 1.6024 1.6024 1.8496 1.8496 2.0841 2.0841 2.1933 2.1933 2.4135 2.4135 2.6956 2.6956 2.8124 2.8124 3.0475 3.0475 3.2294 3.2294 3.6160 3.6160 3.6287 3.6287 4.2436 4.2436 4.2884 4.2884 4.4295 4.4295 5.2941 5.2941 5.3270 5.3270 5.4944 5.4944 8.0659 8.0659 8.6454 8.6454 9.6672 9.6672 10.7126 10.7126 10.7231 10.7231 k = 0.1290 0.1013-0.0000 ( 5913 PWs) bands (ev): -7.7254 -7.7254 -6.4389 -6.4389 -6.4165 -6.4165 -6.4108 -6.4108 -0.6854 -0.6854 0.9572 0.9572 1.4228 1.4228 1.5743 1.5743 1.6034 1.6034 1.6176 1.6176 1.8398 1.8398 2.0879 2.0879 2.2017 2.2017 2.4272 2.4272 2.6806 2.6806 2.8044 2.8044 3.0419 3.0419 3.2283 3.2283 3.6026 3.6026 3.6236 3.6236 4.2644 4.2644 4.3108 4.3108 4.4571 4.4571 5.2717 5.2717 5.3045 5.3045 5.4558 5.4558 8.1445 8.1445 8.6804 8.6804 9.6837 9.6837 10.6211 10.6211 10.6314 10.6314 k = 0.1452 0.1139-0.0000 ( 5929 PWs) bands (ev): -7.7132 -7.7132 -6.4575 -6.4575 -6.4171 -6.4171 -6.4116 -6.4116 -0.6669 -0.6669 0.9133 0.9133 1.4409 1.4409 1.5856 1.5856 1.6145 1.6145 1.6336 1.6336 1.8292 1.8292 2.0918 2.0918 2.2096 2.2096 2.4434 2.4434 2.6653 2.6653 2.7961 2.7961 3.0363 3.0363 3.2271 3.2271 3.5873 3.5873 3.6184 3.6184 4.2873 4.2873 4.3349 4.3349 4.4859 4.4859 5.2472 5.2472 5.2798 5.2798 5.4165 5.4165 8.2288 8.2288 8.7196 8.7196 9.7024 9.7024 10.5284 10.5284 10.5387 10.5387 k = 0.1613 0.1266-0.0000 ( 5933 PWs) bands (ev): -7.6996 -7.6996 -6.4780 -6.4780 -6.4177 -6.4177 -6.4123 -6.4123 -0.6465 -0.6465 0.8695 0.8695 1.4606 1.4606 1.5976 1.5976 1.6257 1.6257 1.6479 1.6479 1.8181 1.8181 2.0956 2.0956 2.2166 2.2166 2.4621 2.4621 2.6502 2.6502 2.7877 2.7877 3.0309 3.0309 3.2259 3.2259 3.5701 3.5701 3.6131 3.6131 4.3120 4.3120 4.3601 4.3601 4.5154 4.5154 5.2212 5.2212 5.2532 5.2532 5.3773 5.3773 8.3177 8.3177 8.7628 8.7628 9.7232 9.7232 10.4350 10.4350 10.4454 10.4454 k = 0.1774 0.1393-0.0000 ( 5937 PWs) bands (ev): -7.6847 -7.6847 -6.5003 -6.5003 -6.4184 -6.4184 -6.4132 -6.4132 -0.6244 -0.6244 0.8258 0.8258 1.4814 1.4814 1.6105 1.6105 1.6374 1.6374 1.6599 1.6599 1.8068 1.8068 2.0992 2.0992 2.2224 2.2224 2.4829 2.4829 2.6356 2.6356 2.7797 2.7797 3.0257 3.0257 3.2245 3.2245 3.5513 3.5513 3.6078 3.6078 4.3378 4.3378 4.3860 4.3860 4.5452 4.5452 5.1940 5.1940 5.2253 5.2253 5.3390 5.3390 8.4102 8.4102 8.8097 8.8097 9.7463 9.7463 10.3416 10.3416 10.3522 10.3522 k = 0.1935 0.1519-0.0000 ( 5937 PWs) bands (ev): -7.6684 -7.6684 -6.5243 -6.5243 -6.4191 -6.4191 -6.4141 -6.4141 -0.6006 -0.6006 0.7824 0.7824 1.5029 1.5029 1.6243 1.6243 1.6497 1.6497 1.6698 1.6698 1.7958 1.7958 2.1022 2.1022 2.2268 2.2268 2.5053 2.5053 2.6221 2.6221 2.7723 2.7723 3.0209 3.0209 3.2231 3.2231 3.5310 3.5310 3.6024 3.6024 4.3642 4.3642 4.4121 4.4121 4.5749 4.5749 5.1661 5.1661 5.1966 5.1966 5.3021 5.3021 8.5051 8.5051 8.8599 8.8599 9.7714 9.7714 10.2486 10.2486 10.2594 10.2594 k = 0.2097 0.1646-0.0000 ( 5929 PWs) bands (ev): -7.6508 -7.6508 -6.5499 -6.5499 -6.4199 -6.4199 -6.4150 -6.4150 -0.5753 -0.5753 0.7393 0.7393 1.5241 1.5241 1.6392 1.6392 1.6624 1.6624 1.6778 1.6778 1.7860 1.7860 2.1045 2.1045 2.2297 2.2297 2.5286 2.5286 2.6100 2.6100 2.7656 2.7656 3.0167 3.0167 3.2218 3.2218 3.5094 3.5094 3.5970 3.5970 4.3907 4.3907 4.4377 4.4377 4.6041 4.6041 5.1383 5.1383 5.1678 5.1678 5.2672 5.2672 8.6016 8.6016 8.9131 8.9131 9.7988 9.7988 10.1566 10.1566 10.1677 10.1677 k = 0.2258 0.1773-0.0000 ( 5937 PWs) bands (ev): -7.6319 -7.6319 -6.5769 -6.5769 -6.4206 -6.4206 -6.4159 -6.4159 -0.5486 -0.5486 0.6967 0.6967 1.5440 1.5440 1.6554 1.6554 1.6753 1.6753 1.6838 1.6838 1.7786 1.7786 2.1057 2.1057 2.2309 2.2309 2.5521 2.5521 2.5996 2.5996 2.7600 2.7600 3.0132 3.0132 3.2204 3.2204 3.4870 3.4870 3.5916 3.5916 4.4166 4.4166 4.4622 4.4622 4.6324 4.6324 5.1110 5.1110 5.1396 5.1396 5.2343 5.2343 8.6985 8.6985 8.9688 8.9688 9.8283 9.8283 10.0661 10.0661 10.0774 10.0774 k = 0.2419 0.1899-0.0000 ( 5945 PWs) bands (ev): -7.6118 -7.6118 -6.6052 -6.6052 -6.4214 -6.4214 -6.4169 -6.4169 -0.5205 -0.5205 0.6545 0.6545 1.5611 1.5611 1.6725 1.6725 1.6855 1.6855 1.6905 1.6905 1.7758 1.7758 2.1057 2.1057 2.2304 2.2304 2.5746 2.5746 2.5916 2.5916 2.7553 2.7553 3.0105 3.0105 3.2190 3.2190 3.4643 3.4643 3.5861 3.5861 4.4410 4.4410 4.4847 4.4847 4.6596 4.6596 5.0853 5.0853 5.1129 5.1129 5.2039 5.2039 8.7947 8.7947 9.0263 9.0263 9.8597 9.8597 9.9779 9.9779 9.9890 9.9890 k = 0.2581 0.2026-0.0000 ( 5937 PWs) bands (ev): -7.5904 -7.5904 -6.6348 -6.6348 -6.4221 -6.4221 -6.4178 -6.4178 -0.4911 -0.4911 0.6128 0.6128 1.5743 1.5743 1.6818 1.6818 1.6948 1.6948 1.7044 1.7044 1.7797 1.7797 2.1042 2.1042 2.2282 2.2282 2.5844 2.5844 2.5974 2.5974 2.7517 2.7517 3.0087 3.0087 3.2174 3.2174 3.4417 3.4417 3.5805 3.5805 4.4631 4.4631 4.5044 4.5044 4.6854 4.6854 5.0619 5.0619 5.0885 5.0885 5.1761 5.1761 8.8888 8.8888 9.0848 9.0848 9.8826 9.8826 9.9016 9.9016 9.9044 9.9044 k = 0.2742 0.2152-0.0000 ( 5941 PWs) bands (ev): -7.5679 -7.5679 -6.6654 -6.6654 -6.4228 -6.4228 -6.4188 -6.4188 -0.4607 -0.4607 0.5715 0.5715 1.5831 1.5831 1.6774 1.6774 1.7113 1.7113 1.7223 1.7223 1.7916 1.7916 2.1010 2.1010 2.2243 2.2243 2.5814 2.5814 2.6164 2.6164 2.7488 2.7488 3.0078 3.0078 3.2156 3.2156 3.4202 3.4202 3.5747 3.5747 4.4821 4.4821 4.5204 4.5204 4.7095 4.7095 5.0418 5.0418 5.0673 5.0673 5.1512 5.1512 8.9794 8.9794 9.1435 9.1435 9.8067 9.8067 9.8198 9.8198 9.9324 9.9324 k = 0.2903 0.2279-0.0000 ( 5941 PWs) bands (ev): -7.5441 -7.5441 -6.6971 -6.6971 -6.4236 -6.4236 -6.4198 -6.4198 -0.4292 -0.4292 0.5308 0.5308 1.5879 1.5879 1.6692 1.6692 1.7263 1.7263 1.7434 1.7434 1.8112 1.8112 2.0962 2.0962 2.2186 2.2186 2.5806 2.5806 2.6331 2.6331 2.7463 2.7463 3.0080 3.0080 3.2130 3.2130 3.4007 3.4007 3.5687 3.5687 4.4970 4.4970 4.5319 4.5319 4.7320 4.7320 5.0257 5.0257 5.0498 5.0498 5.1295 5.1295 9.0648 9.0648 9.2012 9.2012 9.7270 9.7270 9.7400 9.7400 9.9713 9.9713 k = 0.3065 0.2406-0.0000 ( 5929 PWs) bands (ev): -7.5192 -7.5192 -6.7297 -6.7297 -6.4243 -6.4243 -6.4207 -6.4207 -0.3969 -0.3969 0.4905 0.4905 1.5894 1.5894 1.6591 1.6591 1.7409 1.7409 1.7649 1.7649 1.8374 1.8374 2.0897 2.0897 2.2113 2.2113 2.5822 2.5822 2.6469 2.6469 2.7438 2.7438 3.0093 3.0093 3.2093 3.2093 3.3842 3.3842 3.5625 3.5625 4.5072 4.5072 4.5383 4.5383 4.7528 4.7528 5.0138 5.0138 5.0368 5.0368 5.1116 5.1116 9.1432 9.1432 9.2565 9.2565 9.6510 9.6510 9.6639 9.6639 10.0133 10.0133 k = 0.3226 0.2532-0.0000 ( 5925 PWs) bands (ev): -7.4933 -7.4933 -6.7630 -6.7630 -6.4249 -6.4249 -6.4216 -6.4216 -0.3637 -0.3637 0.4506 0.4506 1.5884 1.5884 1.6482 1.6482 1.7556 1.7556 1.7859 1.7859 1.8688 1.8688 2.0817 2.0817 2.2024 2.2024 2.5858 2.5858 2.6573 2.6573 2.7407 2.7407 3.0118 3.0118 3.2040 3.2040 3.3719 3.3719 3.5559 3.5559 4.5122 4.5122 4.5392 4.5392 4.7721 4.7721 5.0055 5.0055 5.0287 5.0287 5.0978 5.0978 9.2125 9.2125 9.3081 9.3081 9.5791 9.5791 9.5921 9.5921 10.0583 10.0583 k = 0.3387 0.2659-0.0000 ( 5913 PWs) bands (ev): -7.4663 -7.4663 -6.7970 -6.7970 -6.4255 -6.4255 -6.4225 -6.4225 -0.3298 -0.3298 0.4111 0.4111 1.5859 1.5859 1.6372 1.6372 1.7706 1.7706 1.8064 1.8064 1.9039 1.9039 2.0722 2.0722 2.1922 2.1922 2.5906 2.5906 2.6639 2.6639 2.7373 2.7373 3.0155 3.0155 3.1967 3.1967 3.3643 3.3643 3.5489 3.5489 4.5122 4.5122 4.5351 4.5351 4.7902 4.7902 4.9989 4.9989 5.0262 5.0262 5.0887 5.0887 9.2712 9.2712 9.3542 9.3542 9.5120 9.5120 9.5253 9.5253 10.0672 10.0672 k = 0.3548 0.2785-0.0000 ( 5913 PWs) bands (ev): -7.4383 -7.4383 -6.8315 -6.8315 -6.4261 -6.4261 -6.4234 -6.4234 -0.2954 -0.2954 0.3721 0.3721 1.5823 1.5823 1.6264 1.6264 1.7858 1.7858 1.8266 1.8266 1.9412 1.9412 2.0616 2.0616 2.1813 2.1813 2.5952 2.5952 2.6664 2.6664 2.7342 2.7342 3.0203 3.0203 3.1875 3.1875 3.3618 3.3618 3.5415 3.5415 4.5077 4.5077 4.5268 4.5268 4.8072 4.8072 4.9923 4.9923 5.0291 5.0291 5.0845 5.0845 9.3180 9.3180 9.3910 9.3910 9.4503 9.4503 9.4661 9.4661 10.0779 10.0779 k = 0.3710 0.2912-0.0000 ( 5905 PWs) bands (ev): -7.4093 -7.4093 -6.8665 -6.8665 -6.4266 -6.4266 -6.4242 -6.4242 -0.2603 -0.2603 0.3333 0.3333 1.5783 1.5783 1.6160 1.6160 1.8012 1.8012 1.8466 1.8466 1.9790 1.9790 2.0504 2.0504 2.1704 2.1704 2.5972 2.5972 2.6658 2.6658 2.7325 2.7325 3.0261 3.0261 3.1769 3.1769 3.3637 3.3637 3.5336 3.5336 4.4997 4.4997 4.5154 4.5154 4.8233 4.8233 4.9850 4.9850 5.0363 5.0363 5.0845 5.0845 9.3512 9.3512 9.3910 9.3910 9.3965 9.3965 9.4417 9.4417 10.1000 10.1000 k = 0.3871 0.3039-0.0000 ( 5897 PWs) bands (ev): -7.3794 -7.3794 -6.9017 -6.9017 -6.4270 -6.4270 -6.4249 -6.4249 -0.2249 -0.2249 0.2948 0.2948 1.5741 1.5741 1.6063 1.6063 1.8168 1.8168 1.8665 1.8665 2.0132 2.0132 2.0405 2.0405 2.1613 2.1613 2.5924 2.5924 2.6655 2.6655 2.7322 2.7322 3.0328 3.0328 3.1657 3.1657 3.3693 3.3693 3.5252 3.5252 4.4893 4.4893 4.5022 4.5022 4.8384 4.8384 4.9773 4.9773 5.0464 5.0464 5.0878 5.0878 9.3361 9.3361 9.3468 9.3468 9.3864 9.3865 9.4600 9.4600 10.1311 10.1311 k = 0.4032 0.3165-0.0000 ( 5901 PWs) bands (ev): -7.3487 -7.3487 -6.9373 -6.9373 -6.4274 -6.4274 -6.4256 -6.4256 -0.1890 -0.1890 0.2566 0.2566 1.5703 1.5703 1.5974 1.5974 1.8325 1.8325 1.8863 1.8863 2.0193 2.0193 2.0522 2.0522 2.1583 2.1583 2.5776 2.5776 2.6689 2.6689 2.7328 2.7328 3.0401 3.0401 3.1543 3.1543 3.3777 3.3777 3.5162 3.5162 4.4778 4.4778 4.4883 4.4883 4.8527 4.8527 4.9694 4.9694 5.0578 5.0578 5.0928 5.0928 9.2935 9.2935 9.3020 9.3020 9.4035 9.4035 9.4758 9.4758 10.1679 10.1679 k = 0.4194 0.3292-0.0000 ( 5905 PWs) bands (ev): -7.3172 -7.3172 -6.9729 -6.9729 -6.4277 -6.4277 -6.4262 -6.4262 -0.1528 -0.1528 0.2187 0.2187 1.5670 1.5670 1.5893 1.5893 1.8483 1.8483 1.9058 1.9058 2.0072 2.0072 2.0670 2.0670 2.1700 2.1700 2.5537 2.5537 2.6760 2.6760 2.7334 2.7334 3.0481 3.0481 3.1430 3.1430 3.3880 3.3880 3.5066 3.5066 4.4663 4.4663 4.4748 4.4748 4.8660 4.8660 4.9615 4.9615 5.0696 5.0696 5.0985 5.0985 9.2555 9.2555 9.2628 9.2628 9.4173 9.4173 9.4851 9.4851 10.2073 10.2073 k = 0.4355 0.3418-0.0000 ( 5905 PWs) bands (ev): -7.2850 -7.2850 -7.0086 -7.0086 -6.4279 -6.4279 -6.4267 -6.4267 -0.1164 -0.1164 0.1809 0.1809 1.5644 1.5644 1.5821 1.5821 1.8641 1.8641 1.9247 1.9247 1.9936 1.9936 2.0659 2.0659 2.1989 2.1989 2.5232 2.5232 2.6851 2.6851 2.7333 2.7333 3.0564 3.0564 3.1321 3.1321 3.3997 3.3997 3.4964 3.4964 4.4557 4.4557 4.4625 4.4625 4.8785 4.8785 4.9535 4.9535 5.0808 5.0808 5.1039 5.1039 9.2240 9.2240 9.2300 9.2300 9.4283 9.4283 9.4883 9.4883 10.2463 10.2463 k = 0.4516 0.3545-0.0000 ( 5905 PWs) bands (ev): -7.2520 -7.2520 -7.0442 -7.0442 -6.4281 -6.4281 -6.4271 -6.4271 -0.0797 -0.0797 0.1433 0.1433 1.5627 1.5627 1.5760 1.5760 1.8799 1.8799 1.9420 1.9420 1.9810 1.9810 2.0553 2.0553 2.2373 2.2373 2.4880 2.4880 2.6948 2.6948 2.7321 2.7321 3.0651 3.0651 3.1217 3.1217 3.4121 3.4121 3.4857 3.4857 4.4469 4.4469 4.4520 4.4520 4.8900 4.8900 4.9455 4.9455 5.0909 5.0909 5.1081 5.1082 9.1993 9.1993 9.2039 9.2039 9.4380 9.4380 9.4867 9.4867 10.2827 10.2827 k = 0.4677 0.3672-0.0000 ( 5904 PWs) bands (ev): -7.2185 -7.2185 -7.0797 -7.0797 -6.4281 -6.4281 -6.4275 -6.4275 -0.0429 -0.0429 0.1058 0.1058 1.5621 1.5621 1.5709 1.5709 1.8957 1.8957 1.9500 1.9500 1.9770 1.9770 2.0406 2.0406 2.2794 2.2794 2.4494 2.4494 2.7041 2.7041 2.7295 2.7295 3.0740 3.0740 3.1116 3.1116 3.4248 3.4248 3.4744 3.4744 4.4405 4.4405 4.4439 4.4439 4.9008 4.9008 4.9374 4.9374 5.0992 5.0992 5.1107 5.1107 9.1818 9.1818 9.1849 9.1849 9.4472 9.4472 9.4815 9.4815 10.3147 10.3147 k = 0.4839 0.3798-0.0000 ( 5900 PWs) bands (ev): -7.1844 -7.1844 -7.1150 -7.1150 -6.4281 -6.4281 -6.4278 -6.4278 -0.0059 -0.0059 0.0684 0.0684 1.5626 1.5626 1.5670 1.5670 1.9114 1.9114 1.9409 1.9409 1.9896 1.9896 2.0240 2.0240 2.3227 2.3227 2.4085 2.4085 2.7125 2.7125 2.7253 2.7253 3.0830 3.0830 3.1018 3.1018 3.4376 3.4376 3.4625 3.4625 4.4368 4.4368 4.4385 4.4385 4.9108 4.9108 4.9290 4.9290 5.1055 5.1055 5.1113 5.1113 9.1715 9.1715 9.1731 9.1731 9.4564 9.4564 9.4741 9.4741 10.3414 10.3414 k = 0.5000 0.3925-0.0000 ( 5900 PWs) bands (ev): -7.1499 -7.1499 -7.1499 -7.1499 -6.4280 -6.4280 -6.4280 -6.4280 0.0312 0.0312 0.0312 0.0312 1.5642 1.5642 1.5642 1.5642 1.9267 1.9267 1.9267 1.9267 2.0067 2.0067 2.0067 2.0067 2.3660 2.3660 2.3661 2.3661 2.7196 2.7196 2.7196 2.7196 3.0923 3.0923 3.0923 3.0923 3.4502 3.4502 3.4502 3.4502 4.4361 4.4361 4.4361 4.4361 4.9202 4.9202 4.9202 4.9202 5.1096 5.1096 5.1096 5.1096 9.1686 9.1686 9.1686 9.1686 9.4655 9.4655 9.4655 9.4655 10.3620 10.3620 k = 0.5000 0.3925-0.0000 ( 5900 PWs) bands (ev): -7.1499 -7.1499 -7.1499 -7.1499 -6.4280 -6.4280 -6.4280 -6.4280 0.0312 0.0312 0.0312 0.0312 1.5642 1.5642 1.5642 1.5642 1.9267 1.9267 1.9267 1.9267 2.0067 2.0067 2.0067 2.0067 2.3660 2.3660 2.3661 2.3661 2.7196 2.7196 2.7196 2.7196 3.0923 3.0923 3.0923 3.0923 3.4502 3.4502 3.4502 3.4502 4.4361 4.4361 4.4361 4.4361 4.9202 4.9202 4.9202 4.9202 5.1096 5.1096 5.1096 5.1096 9.1686 9.1686 9.1686 9.1686 9.4655 9.4655 9.4655 9.4655 10.3620 10.3620 k = 0.4914 0.4035 0.0140 ( 5900 PWs) bands (ev): -7.1499 -7.1498 -7.1494 -7.1494 -6.4287 -6.4286 -6.4281 -6.4278 0.0302 0.0315 0.0317 0.0324 1.5611 1.5619 1.5638 1.5671 1.9221 1.9245 1.9272 1.9332 1.9991 2.0060 2.0093 2.0131 2.3610 2.3642 2.3700 2.3715 2.7064 2.7156 2.7226 2.7299 3.0843 3.0923 3.0936 3.1036 3.4425 3.4480 3.4524 3.4558 4.4243 4.4324 4.4372 4.4441 4.8958 4.9205 4.9210 4.9381 5.0994 5.1073 5.1117 5.1295 9.1643 9.1648 9.1685 9.1710 9.4668 9.4680 9.4700 9.4733 10.3620 10.3630 k = 0.4827 0.4145 0.0280 ( 5904 PWs) bands (ev): -7.1499 -7.1497 -7.1480 -7.1478 -6.4307 -6.4306 -6.4280 -6.4275 0.0285 0.0312 0.0340 0.0352 1.5569 1.5576 1.5612 1.5698 1.9189 1.9204 1.9257 1.9414 1.9905 2.0055 2.0149 2.0203 2.3551 2.3662 2.3729 2.3798 2.6902 2.7101 2.7251 2.7378 3.0792 3.0941 3.0958 3.1180 3.4329 3.4455 3.4544 3.4592 4.4045 4.4293 4.4314 4.4542 4.8664 4.9137 4.9271 4.9537 5.0936 5.1020 5.1223 5.1566 9.1545 9.1548 9.1691 9.1743 9.4770 9.4775 9.4816 9.4897 10.3630 10.3649 k = 0.4741 0.4255 0.0420 ( 5908 PWs) bands (ev): -7.1498 -7.1496 -7.1456 -7.1453 -6.4341 -6.4339 -6.4279 -6.4271 0.0262 0.0302 0.0378 0.0397 1.5497 1.5531 1.5573 1.5723 1.9133 1.9145 1.9226 1.9505 1.9832 2.0044 2.0240 2.0303 2.3482 2.3719 2.3746 2.3897 2.6713 2.7025 2.7275 2.7438 3.0761 3.0985 3.0986 3.1352 3.4218 3.4426 3.4563 3.4604 4.3780 4.4124 4.4333 4.4667 4.8347 4.8967 4.9389 4.9709 5.0853 5.0934 5.1456 5.1879 9.1399 9.1402 9.1714 9.1790 9.4939 9.4951 9.5003 9.5131 10.3648 10.3676 k = 0.4654 0.4366 0.0560 ( 5916 PWs) bands (ev): -7.1497 -7.1494 -7.1422 -7.1418 -6.4387 -6.4384 -6.4276 -6.4265 0.0232 0.0285 0.0433 0.0457 1.5408 1.5467 1.5537 1.5746 1.9021 1.9029 1.9220 1.9597 1.9797 2.0039 2.0365 2.0437 2.3407 2.3751 2.3808 2.4001 2.6500 2.6930 2.7303 2.7487 3.0742 3.1020 3.1061 3.1545 3.4096 3.4392 3.4582 3.4596 4.3464 4.3882 4.4379 4.4809 4.8022 4.8730 4.9552 4.9881 5.0755 5.0813 5.1770 5.2215 9.1218 9.1230 9.1755 9.1853 9.5172 9.5200 9.5256 9.5423 10.3673 10.3709 k = 0.4568 0.4476 0.0700 ( 5916 PWs) bands (ev): -7.1496 -7.1493 -7.1378 -7.1373 -6.4445 -6.4441 -6.4272 -6.4259 0.0194 0.0259 0.0504 0.0534 1.5309 1.5390 1.5507 1.5766 1.8842 1.8859 1.9235 1.9682 1.9802 2.0058 2.0518 2.0604 2.3326 2.3746 2.3919 2.4098 2.6268 2.6820 2.7336 2.7532 3.0730 3.1059 3.1168 3.1755 3.3968 3.4351 3.4576 3.4602 4.3112 4.3583 4.4448 4.4964 4.7699 4.8463 4.9744 4.9993 5.0662 5.0695 5.2127 5.2564 9.1025 9.1047 9.1820 9.1935 9.5471 9.5510 9.5570 9.5762 10.3703 10.3746 k = 0.4481 0.4586 0.0840 ( 5912 PWs) bands (ev): -7.1496 -7.1492 -7.1324 -7.1318 -6.4514 -6.4509 -6.4267 -6.4251 0.0149 0.0226 0.0590 0.0625 1.5207 1.5308 1.5479 1.5785 1.8609 1.8649 1.9264 1.9757 1.9838 2.0107 2.0695 2.0798 2.3242 2.3731 2.4042 2.4176 2.6026 2.6702 2.7376 2.7575 3.0721 3.1103 3.1302 3.1976 3.3839 3.4300 3.4548 3.4624 4.2736 4.3242 4.4534 4.5123 4.7385 4.8182 4.9936 4.9957 5.0496 5.0752 5.2505 5.2919 9.0833 9.0866 9.1910 9.2041 9.5835 9.5873 9.5942 9.6141 10.3735 10.3783 k = 0.4395 0.4696 0.0980 ( 5918 PWs) bands (ev): -7.1497 -7.1493 -7.1261 -7.1254 -6.4593 -6.4588 -6.4261 -6.4242 0.0096 0.0184 0.0691 0.0731 1.5106 1.5226 1.5454 1.5801 1.8346 1.8399 1.9302 1.9823 1.9895 2.0181 2.0889 2.1010 2.3158 2.3707 2.4166 2.4224 2.5781 2.6587 2.7424 2.7619 3.0715 3.1152 3.1458 3.2203 3.3712 3.4236 3.4521 3.4648 4.2344 4.2872 4.4630 4.5279 4.7083 4.7901 4.9778 5.0030 5.0407 5.0915 5.2893 5.3275 9.0655 9.0698 9.2029 9.2172 9.6261 9.6278 9.6375 9.6555 10.3768 10.3820 k = 0.4308 0.4806 0.1121 ( 5920 PWs) bands (ev): -7.1500 -7.1495 -7.1189 -7.1181 -6.4681 -6.4675 -6.4253 -6.4232 0.0035 0.0132 0.0806 0.0850 1.5011 1.5150 1.5432 1.5815 1.8063 1.8119 1.9350 1.9883 1.9964 2.0271 2.1093 2.1232 2.3077 2.3676 2.4232 2.4273 2.5551 2.6487 2.7482 2.7666 3.0713 3.1205 3.1630 3.2431 3.3593 3.4160 3.4500 3.4674 4.1945 4.2485 4.4728 4.5424 4.6797 4.7625 4.9521 4.9877 5.0538 5.1117 5.3284 5.3630 9.0499 9.0550 9.2180 9.2332 9.6716 9.6748 9.6872 9.7001 10.3798 10.3853 k = 0.4222 0.4917 0.1261 ( 5932 PWs) bands (ev): -7.1506 -7.1501 -7.1107 -7.1098 -6.4776 -6.4769 -6.4245 -6.4221 -0.0035 0.0070 0.0933 0.0982 1.4926 1.5083 1.5413 1.5828 1.7768 1.7818 1.9406 1.9938 2.0041 2.0372 2.1300 2.1454 2.3004 2.3642 2.4193 2.4335 2.5367 2.6409 2.7548 2.7716 3.0716 3.1262 3.1813 3.2654 3.3485 3.4077 3.4489 3.4705 4.1546 4.2087 4.4821 4.5548 4.6533 4.7358 4.9217 4.9616 5.0747 5.1326 5.3670 5.3979 9.0372 9.0431 9.2365 9.2525 9.7184 9.7292 9.7427 9.7475 10.3825 10.3880 k = 0.4135 0.5027 0.1401 ( 5924 PWs) bands (ev): -7.1515 -7.1510 -7.1016 -7.1006 -6.4877 -6.4870 -6.4235 -6.4210 -0.0115 -0.0002 0.1073 0.1125 1.4853 1.5026 1.5398 1.5840 1.7468 1.7504 1.9470 1.9985 2.0121 2.0478 2.1504 2.1668 2.2941 2.3610 2.4105 2.4309 2.5275 2.6357 2.7623 2.7770 3.0723 3.1323 3.2001 3.2865 3.3391 3.3993 3.4492 3.4742 4.1151 4.1686 4.4900 4.5636 4.6299 4.7104 4.8879 4.9315 5.0966 5.1531 5.4049 5.4320 9.0280 9.0344 9.2586 9.2751 9.7680 9.7887 9.7977 9.8037 10.3847 10.3901 k = 0.4049 0.5137 0.1541 ( 5920 PWs) bands (ev): -7.1529 -7.1524 -7.0916 -7.0906 -6.4983 -6.4975 -6.4225 -6.4197 -0.0204 -0.0086 0.1224 0.1279 1.4792 1.4981 1.5386 1.5850 1.7168 1.7185 1.9539 2.0020 2.0200 2.0588 2.1698 2.1865 2.2889 2.3584 2.3973 2.4185 2.5296 2.6330 2.7705 2.7829 3.0736 3.1388 3.2188 3.3054 3.3315 3.3915 3.4512 3.4786 4.0766 4.1288 4.4959 4.5662 4.6117 4.6866 4.8514 4.8988 5.1184 5.1726 5.4415 5.4650 9.0226 9.0295 9.2844 9.3012 9.8200 9.8475 9.8557 9.8698 10.3862 10.3914 k = 0.3962 0.5247 0.1681 ( 5928 PWs) bands (ev): -7.1550 -7.1544 -7.0808 -7.0796 -6.5091 -6.5082 -6.4214 -6.4184 -0.0304 -0.0181 0.1384 0.1443 1.4743 1.4944 1.5379 1.5858 1.6867 1.6876 1.9611 2.0039 2.0275 2.0700 2.1875 2.2038 2.2842 2.3570 2.3806 2.4011 2.5395 2.6322 2.7791 2.7892 3.0755 3.1457 3.2367 3.3208 3.3262 3.3857 3.4555 3.4838 4.0394 4.0896 4.4992 4.5591 4.6017 4.6643 4.8128 4.8641 5.1397 5.1910 5.4766 5.4966 9.0213 9.0285 9.3139 9.3309 9.8740 9.9015 9.9249 9.9405 10.3871 10.3919 k = 0.3876 0.5357 0.1821 ( 5920 PWs) bands (ev): -7.1577 -7.1571 -7.0691 -7.0679 -6.5200 -6.5190 -6.4201 -6.4169 -0.0414 -0.0287 0.1554 0.1614 1.4702 1.4911 1.5378 1.5862 1.6563 1.6602 1.9683 2.0037 2.0341 2.0813 2.2029 2.2178 2.2787 2.3569 2.3624 2.3849 2.5535 2.6326 2.7879 2.7959 3.0780 3.1528 3.2528 3.3240 3.3307 3.3834 3.4627 3.4900 4.0039 4.0515 4.4994 4.5451 4.5969 4.6437 4.7723 4.8280 5.1601 5.2082 5.5099 5.5265 9.0241 9.0315 9.3472 9.3642 9.9294 9.9560 9.9991 10.0154 10.3874 10.3918 k = 0.3789 0.5467 0.1961 ( 5916 PWs) bands (ev): -7.1612 -7.1606 -7.0566 -7.0553 -6.5307 -6.5296 -6.4188 -6.4154 -0.0534 -0.0406 0.1732 0.1794 1.4660 1.4868 1.5384 1.5856 1.6286 1.6364 1.9747 2.0011 2.0399 2.0926 2.2152 2.2267 2.2714 2.3414 2.3612 2.3745 2.5699 2.6337 2.7965 2.8028 3.0811 3.1604 3.2654 3.3260 3.3342 3.3857 3.4728 3.4974 3.9704 4.0148 4.4964 4.5292 4.5920 4.6246 4.7305 4.7909 5.1798 5.2243 5.5410 5.5544 9.0311 9.0386 9.3840 9.4010 9.9855 10.0107 10.0771 10.0941 10.3873 10.3911 k = 0.3703 0.5578 0.2101 ( 5904 PWs) bands (ev): -7.1657 -7.1651 -7.0434 -7.0420 -6.5410 -6.5399 -6.4175 -6.4139 -0.0664 -0.0536 0.1917 0.1979 1.4603 1.4793 1.5401 1.5826 1.6058 1.6191 1.9795 1.9959 2.0451 2.1039 2.2234 2.2241 2.2681 2.3228 2.3668 2.3716 2.5877 2.6351 2.8046 2.8099 3.0849 3.1682 3.2737 3.3331 3.3332 3.3911 3.4858 3.5059 3.9392 3.9800 4.4902 4.5139 4.5844 4.6068 4.6878 4.7533 5.1984 5.2393 5.5697 5.5802 9.0421 9.0497 9.4243 9.4411 10.0416 10.0648 10.1587 10.1758 10.3869 10.3902 k = 0.3616 0.5688 0.2241 ( 5908 PWs) bands (ev): -7.1712 -7.1706 -7.0293 -7.0279 -6.5509 -6.5496 -6.4160 -6.4122 -0.0805 -0.0678 0.2108 0.2170 1.4511 1.4661 1.5431 1.5771 1.5904 1.6108 1.9815 1.9883 2.0505 2.1152 2.2063 2.2255 2.2744 2.3082 2.3744 2.3749 2.6066 2.6365 2.8116 2.8169 3.0893 3.1764 3.2783 3.3301 3.3444 3.3980 3.5006 3.5156 3.9106 3.9473 4.4809 4.4997 4.5734 4.5900 4.6447 4.7158 5.2159 5.2531 5.5957 5.6036 9.0572 9.0647 9.4677 9.4843 10.0965 10.1172 10.2430 10.2599 10.3868 10.3894 k = 0.3530 0.5798 0.2381 ( 5908 PWs) bands (ev): -7.1779 -7.1773 -7.0146 -7.0131 -6.5600 -6.5587 -6.4145 -6.4105 -0.0956 -0.0832 0.2304 0.2366 1.4371 1.4463 1.5475 1.5731 1.5834 1.6090 1.9786 1.9796 2.0567 2.1264 2.1807 2.2194 2.2855 2.3010 2.3805 2.3849 2.6261 2.6378 2.8173 2.8234 3.0943 3.1852 3.2808 3.3265 3.3576 3.4060 3.5164 3.5265 3.8849 3.9169 4.4685 4.4867 4.5590 4.5737 4.6020 4.6790 5.2320 5.2656 5.6188 5.6243 9.0761 9.0834 9.5140 9.5301 10.1490 10.1668 10.3290 10.3436 10.3892 10.3893 k = 0.3443 0.5908 0.2521 ( 5908 PWs) bands (ev): -7.1859 -7.1854 -6.9992 -6.9976 -6.5682 -6.5668 -6.4129 -6.4088 -0.1117 -0.0996 0.2504 0.2565 1.4181 1.4215 1.5522 1.5741 1.5845 1.6102 1.9672 1.9735 2.0640 2.1374 2.1519 2.2057 2.2982 2.3013 2.3882 2.3965 2.6392 2.6460 2.8213 2.8291 3.0998 3.1945 3.2827 3.3231 3.3714 3.4149 3.5323 3.5385 3.8624 3.8893 4.4526 4.4745 4.5413 4.5531 4.5655 4.6439 5.2465 5.2769 5.6389 5.6423 9.0985 9.1056 9.5626 9.5782 10.1975 10.2121 10.3815 10.3865 10.4199 10.4392 k = 0.3357 0.6018 0.2661 ( 5916 PWs) bands (ev): -7.1953 -7.1947 -6.9831 -6.9815 -6.5753 -6.5739 -6.4113 -6.4070 -0.1287 -0.1171 0.2707 0.2767 1.3937 1.3954 1.5566 1.5800 1.5921 1.6132 1.9544 1.9636 2.0715 2.1218 2.1481 2.1887 2.3059 2.3114 2.3970 2.4093 2.6406 2.6659 2.8232 2.8338 3.1058 3.2045 3.2844 3.3200 3.3847 3.4250 3.5476 3.5512 3.8435 3.8647 4.4325 4.4623 4.5151 4.5204 4.5500 4.6119 5.2592 5.2868 5.6558 5.6574 9.1243 9.1310 9.6129 9.6278 10.2405 10.2519 10.3845 10.3889 10.5074 10.5253 k = 0.3270 0.6128 0.2801 ( 5908 PWs) bands (ev): -7.2060 -7.2055 -6.9665 -6.9647 -6.5813 -6.5798 -6.4096 -6.4052 -0.1466 -0.1355 0.2914 0.2972 1.3647 1.3707 1.5606 1.5894 1.6047 1.6177 1.9406 1.9507 2.0777 2.0913 2.1586 2.1723 2.3123 2.3240 2.4069 2.4230 2.6423 2.6855 2.8232 2.8371 3.1123 3.2151 3.2864 3.3174 3.3970 3.4363 3.5617 3.5646 3.8283 3.8434 4.4076 4.4491 4.4760 4.4969 4.5403 4.5848 5.2699 5.2950 5.6696 5.6696 9.1530 9.1594 9.6643 9.6785 10.2768 10.2853 10.3872 10.3916 10.5956 10.6123 k = 0.3270 0.6128 0.2801 ( 5908 PWs) bands (ev): -7.2060 -7.2055 -6.9665 -6.9647 -6.5813 -6.5798 -6.4096 -6.4052 -0.1466 -0.1355 0.2914 0.2972 1.3647 1.3707 1.5606 1.5894 1.6047 1.6177 1.9406 1.9507 2.0777 2.0913 2.1586 2.1723 2.3123 2.3240 2.4069 2.4230 2.6423 2.6855 2.8232 2.8371 3.1123 3.2151 3.2864 3.3174 3.3970 3.4363 3.5617 3.5646 3.8283 3.8434 4.4076 4.4491 4.4760 4.4969 4.5403 4.5848 5.2699 5.2950 5.6696 5.6696 9.1530 9.1594 9.6643 9.6785 10.2768 10.2853 10.3872 10.3916 10.5956 10.6123 k = 0.3089 0.6074 0.2871 ( 5913 PWs) bands (ev): -7.2132 -7.2127 -6.9568 -6.9550 -6.5834 -6.5819 -6.4088 -6.4044 -0.1571 -0.1464 0.3031 0.3087 1.3498 1.3577 1.5619 1.5951 1.6114 1.6215 1.9342 1.9433 2.0727 2.0838 2.1627 2.1669 2.3154 2.3295 2.4115 2.4307 2.6423 2.6959 2.8223 2.8378 3.1159 3.2200 3.2849 3.3160 3.4045 3.4422 3.5651 3.5756 3.8227 3.8357 4.3790 4.4381 4.4535 4.4997 4.5396 4.5761 5.2744 5.2984 5.6739 5.6748 9.1703 9.1765 9.6890 9.7027 10.2855 10.2923 10.3937 10.3987 10.6385 10.6544 k = 0.2907 0.6019 0.2940 ( 5904 PWs) bands (ev): -7.2228 -7.2222 -6.9453 -6.9435 -6.5844 -6.5828 -6.4083 -6.4039 -0.1702 -0.1600 0.3172 0.3225 1.3345 1.3438 1.5621 1.6014 1.6167 1.6278 1.9292 1.9354 2.0600 2.0845 2.1609 2.1699 2.3182 2.3342 2.4154 2.4391 2.6412 2.7066 2.8207 2.8378 3.1202 3.2237 3.2795 3.3143 3.4143 3.4480 3.5683 3.5877 3.8187 3.8325 4.3384 4.3930 4.4647 4.5036 4.5442 4.5724 5.2784 5.3014 5.6765 5.6778 9.1921 9.1982 9.7122 9.7250 10.2775 10.2825 10.4135 10.4194 10.6798 10.6945 k = 0.2725 0.5965 0.3009 ( 5905 PWs) bands (ev): -7.2338 -7.2332 -6.9331 -6.9312 -6.5840 -6.5823 -6.4080 -6.4036 -0.1851 -0.1756 0.3329 0.3378 1.3189 1.3294 1.5617 1.6072 1.6213 1.6360 1.9246 1.9286 2.0494 2.0838 2.1599 2.1750 2.3207 2.3380 2.4193 2.4475 2.6392 2.7167 2.8184 2.8373 3.1251 3.2253 3.2724 3.3119 3.4250 3.4537 3.5718 3.5990 3.8164 3.8335 4.2962 4.3483 4.4743 4.5029 4.5522 4.5733 5.2818 5.3040 5.6771 5.6788 9.2182 9.2242 9.7339 9.7456 10.2583 10.2622 10.4429 10.4497 10.7188 10.7322 k = 0.2544 0.5910 0.3079 ( 5905 PWs) bands (ev): -7.2455 -7.2449 -6.9209 -6.9190 -6.5822 -6.5804 -6.4081 -6.4035 -0.2013 -0.1924 0.3495 0.3539 1.3034 1.3145 1.5608 1.6112 1.6266 1.6447 1.9172 1.9269 2.0415 2.0813 2.1615 2.1803 2.3225 2.3411 2.4236 2.4559 2.6365 2.7257 2.8154 2.8365 3.1304 3.2234 3.2667 3.3083 3.4353 3.4594 3.5747 3.6086 3.8169 3.8382 4.2559 4.3062 4.4802 4.4996 4.5603 4.5790 5.2848 5.3063 5.6758 5.6776 9.2481 9.2540 9.7545 9.7648 10.2344 10.2377 10.4771 10.4848 10.7550 10.7667 k = 0.2362 0.5856 0.3148 ( 5896 PWs) bands (ev): -7.2574 -7.2568 -6.9094 -6.9075 -6.5790 -6.5771 -6.4084 -6.4039 -0.2180 -0.2099 0.3664 0.3704 1.2881 1.2996 1.5597 1.6132 1.6329 1.6531 1.9097 1.9282 2.0362 2.0773 2.1652 2.1857 2.3238 2.3436 2.4284 2.4640 2.6331 2.7333 2.8117 2.8358 3.1361 3.2169 3.2644 3.3031 3.4443 3.4651 3.5760 3.6155 3.8205 3.8455 4.2194 4.2684 4.4811 4.4956 4.5677 4.5885 5.2872 5.3081 5.6725 5.6743 9.2810 9.2867 9.7742 9.7831 10.2095 10.2128 10.5131 10.5221 10.7879 10.7977 k = 0.2180 0.5801 0.3217 ( 5898 PWs) bands (ev): -7.2692 -7.2685 -6.8989 -6.8970 -6.5743 -6.5723 -6.4092 -6.4046 -0.2350 -0.2276 0.3833 0.3868 1.2735 1.2849 1.5583 1.6133 1.6396 1.6609 1.9037 1.9316 2.0334 2.0725 2.1705 2.1913 2.3242 2.3459 2.4337 2.4718 2.6291 2.7393 2.8074 2.8351 3.1416 3.2067 3.2653 3.2962 3.4518 3.4707 3.5746 3.6191 3.8273 3.8544 4.1883 4.2365 4.4772 4.4916 4.5753 4.5993 5.2891 5.3094 5.6674 5.6692 9.3163 9.3218 9.7938 9.8010 10.1861 10.1895 10.5496 10.5601 10.8171 10.8246 k = 0.1998 0.5747 0.3286 ( 5901 PWs) bands (ev): -7.2805 -7.2799 -6.8896 -6.8878 -6.5683 -6.5662 -6.4103 -6.4058 -0.2517 -0.2450 0.3996 0.4028 1.2595 1.2707 1.5568 1.6120 1.6461 1.6678 1.8998 1.9367 2.0328 2.0675 2.1768 2.1970 2.3239 2.3480 2.4395 2.4792 2.6248 2.7437 2.8027 2.8346 3.1462 3.1953 3.2680 3.2874 3.4578 3.4760 3.5705 3.6189 3.8366 3.8637 4.1638 4.2120 4.4703 4.4867 4.5833 4.6099 5.2906 5.3102 5.6607 5.6624 9.3529 9.3580 9.8136 9.8191 10.1654 10.1693 10.5854 10.5978 10.8419 10.8473 k = 0.1817 0.5692 0.3356 ( 5899 PWs) bands (ev): -7.2912 -7.2907 -6.8817 -6.8800 -6.5610 -6.5588 -6.4120 -6.4074 -0.2680 -0.2620 0.4151 0.4179 1.2466 1.2573 1.5552 1.6092 1.6523 1.6736 1.8981 1.9428 2.0344 2.0629 2.1836 2.2027 2.3229 2.3501 2.4458 2.4863 2.6203 2.7462 2.7977 2.8341 3.1478 3.1860 3.2713 3.2766 3.4627 3.4810 3.5637 3.6148 3.8470 3.8724 4.1470 4.1960 4.4620 4.4807 4.5912 4.6196 5.2916 5.3106 5.6525 5.6542 9.3897 9.3944 9.8342 9.8380 10.1489 10.1534 10.6197 10.6341 10.8621 10.8659 k = 0.1635 0.5638 0.3425 ( 5899 PWs) bands (ev): -7.3012 -7.3007 -6.8750 -6.8734 -6.5527 -6.5503 -6.4141 -6.4096 -0.2834 -0.2780 0.4295 0.4319 1.2348 1.2448 1.5535 1.6051 1.6579 1.6784 1.8988 1.9491 2.0379 2.0589 2.1908 2.2084 2.3215 2.3521 2.4525 2.4929 2.6161 2.7463 2.7932 2.8335 3.1433 3.1824 3.2637 3.2748 3.4666 3.4855 3.5549 3.6073 3.8568 3.8798 4.1386 4.1886 4.4532 4.4735 4.5984 4.6278 5.2922 5.3104 5.6433 5.6451 9.4254 9.4297 9.8557 9.8579 10.1379 10.1431 10.6514 10.6680 10.8773 10.8809 k = 0.1453 0.5583 0.3494 ( 5910 PWs) bands (ev): -7.3104 -7.3099 -6.8696 -6.8681 -6.5436 -6.5411 -6.4167 -6.4122 -0.2978 -0.2931 0.4426 0.4448 1.2243 1.2335 1.5519 1.6000 1.6629 1.6821 1.9015 1.9548 2.0431 2.0563 2.1981 2.2138 2.3199 2.3542 2.4595 2.4992 2.6124 2.7433 2.7896 2.8327 3.1331 3.1841 3.2496 3.2777 3.4698 3.4896 3.5450 3.5971 3.8647 3.8860 4.1384 4.1891 4.4444 4.4656 4.6046 4.6344 5.2925 5.3098 5.6333 5.6353 9.4588 9.4626 9.8774 9.8789 10.1337 10.1399 10.6794 10.6982 10.8880 10.8929 k = 0.1272 0.5529 0.3564 ( 5909 PWs) bands (ev): -7.3186 -7.3181 -6.8652 -6.8639 -6.5339 -6.5312 -6.4199 -6.4155 -0.3108 -0.3068 0.4543 0.4562 1.2152 1.2234 1.5504 1.5941 1.6675 1.6849 1.9058 1.9591 2.0490 2.0559 2.2052 2.2188 2.3184 2.3562 2.4668 2.5050 2.6096 2.7368 2.7877 2.8316 3.1211 3.1865 3.2357 3.2800 3.4724 3.4934 3.5347 3.5851 3.8705 3.8911 4.1454 4.1958 4.4359 4.4573 4.6097 4.6391 5.2927 5.3088 5.6231 5.6252 9.4886 9.4920 9.8979 9.8999 10.1384 10.1455 10.7019 10.7229 10.8958 10.9021 k = 0.1090 0.5474 0.3633 ( 5911 PWs) bands (ev): -7.3258 -7.3254 -6.8618 -6.8607 -6.5239 -6.5210 -6.4237 -6.4193 -0.3225 -0.3191 0.4645 0.4662 1.2074 1.2146 1.5492 1.5877 1.6716 1.6870 1.9112 1.9616 2.0526 2.0601 2.2119 2.2232 2.3176 2.3579 2.4745 2.5106 2.6079 2.7268 2.7876 2.8299 3.1094 3.1842 3.2264 3.2812 3.4744 3.4969 3.5248 3.5725 3.8746 3.8948 4.1580 4.2065 4.4281 4.4488 4.6137 4.6419 5.2928 5.3075 5.6132 5.6152 9.5142 9.5173 9.9161 9.9185 10.1537 10.1618 10.7171 10.7397 10.9022 10.9095 k = 0.0908 0.5420 0.3702 ( 5910 PWs) bands (ev): -7.3319 -7.3316 -6.8592 -6.8583 -6.5138 -6.5108 -6.4280 -6.4237 -0.3326 -0.3297 0.4732 0.4746 1.2011 1.2071 1.5484 1.5812 1.6752 1.6883 1.9172 1.9623 2.0552 2.0669 2.2177 2.2270 2.3180 2.3589 2.4827 2.5159 2.6074 2.7138 2.7889 2.8277 3.0994 3.1732 3.2255 3.2811 3.4760 3.5002 3.5156 3.5603 3.8781 3.8973 4.1741 4.2189 4.4214 4.4407 4.6167 4.6428 5.2929 5.3059 5.6039 5.6058 9.5352 9.5379 9.9305 9.9329 10.1808 10.1897 10.7223 10.7458 10.9088 10.9162 k = 0.0727 0.5365 0.3772 ( 5915 PWs) bands (ev): -7.3370 -7.3368 -6.8573 -6.8565 -6.5039 -6.5008 -6.4328 -6.4287 -0.3409 -0.3387 0.4803 0.4814 1.1961 1.2010 1.5482 1.5748 1.6783 1.6890 1.9234 1.9613 2.0588 2.0730 2.2225 2.2300 2.3201 2.3588 2.4914 2.5206 2.6083 2.6985 2.7913 2.8248 3.0920 3.1569 3.2303 3.2796 3.4774 3.5032 3.5077 3.5493 3.8814 3.8985 4.1918 4.2309 4.4161 4.4331 4.6190 4.6419 5.2932 5.3041 5.5957 5.5974 9.5518 9.5540 9.9408 9.9429 10.2183 10.2278 10.7154 10.7383 10.9168 10.9232 k = 0.0545 0.5311 0.3841 ( 5924 PWs) bands (ev): -7.3410 -7.3408 -6.8559 -6.8553 -6.4944 -6.4914 -6.4380 -6.4342 -0.3475 -0.3458 0.4859 0.4867 1.1925 1.1962 1.5486 1.5688 1.6811 1.6892 1.9296 1.9590 2.0634 2.0773 2.2260 2.2321 2.3240 2.3571 2.5006 2.5244 2.6109 2.6817 2.7945 2.8213 3.0878 3.1395 3.2373 3.2766 3.4788 3.4997 3.5075 3.5398 3.8847 3.8986 4.2091 4.2407 4.4124 4.4263 4.6210 4.6396 5.2937 5.3022 5.5890 5.5903 9.5642 9.5659 9.9475 9.9491 10.2630 10.2727 10.6958 10.7167 10.9263 10.9310 k = 0.0363 0.5256 0.3910 ( 5925 PWs) bands (ev): -7.3439 -7.3437 -6.8549 -6.8545 -6.4858 -6.4830 -6.4433 -6.4399 -0.3521 -0.3510 0.4898 0.4904 1.1901 1.1926 1.5499 1.5634 1.6834 1.6889 1.9356 1.9556 2.0684 2.0794 2.2287 2.2332 2.3294 2.3537 2.5097 2.5267 2.6156 2.6645 2.7985 2.8172 3.0873 3.1231 3.2450 3.2723 3.4803 3.4937 3.5111 3.5319 3.8879 3.8978 4.2245 4.2468 4.4105 4.4205 4.6231 4.6363 5.2945 5.3003 5.5840 5.5849 9.5728 9.5740 9.9516 9.9526 10.3095 10.3184 10.6677 10.6844 10.9363 10.9394 k = 0.0182 0.5202 0.3979 ( 5912 PWs) bands (ev): -7.3456 -7.3455 -6.8543 -6.8541 -6.4787 -6.4767 -6.4475 -6.4452 -0.3548 -0.3543 0.4923 0.4926 1.1890 1.1902 1.5519 1.5587 1.6854 1.6881 1.9413 1.9514 2.0732 2.0793 2.2308 2.2332 2.3359 2.3487 2.5179 2.5266 2.6232 2.6482 2.8031 2.8126 3.0907 3.1090 3.2527 3.2667 3.4824 3.4889 3.5152 3.5254 3.8910 3.8961 4.2368 4.2484 4.4106 4.4158 4.6258 4.6326 5.2956 5.2986 5.5811 5.5815 9.5779 9.5785 9.9538 9.9544 10.3490 10.3550 10.6413 10.6513 10.9454 10.9476 k = 0.0000 0.5147 0.4049 ( 5904 PWs) bands (ev): -7.3461 -7.3461 -6.8541 -6.8541 -6.4750 -6.4750 -6.4485 -6.4485 -0.3555 -0.3555 0.4932 0.4932 1.1890 1.1890 1.5549 1.5549 1.6870 1.6870 1.9466 1.9466 2.0770 2.0770 2.2323 2.2323 2.3426 2.3426 2.5237 2.5237 2.6342 2.6342 2.8078 2.8078 3.0981 3.0981 3.2601 3.2601 3.4852 3.4852 3.5199 3.5199 3.8938 3.8938 4.2450 4.2450 4.4125 4.4125 4.6290 4.6290 5.2969 5.2969 5.5802 5.5802 9.5798 9.5798 9.9547 9.9547 10.3677 10.3677 10.6331 10.6331 10.9509 10.9509 k = 0.0000 0.5147 0.4049 ( 5904 PWs) bands (ev): -7.3461 -7.3461 -6.8541 -6.8541 -6.4750 -6.4750 -6.4485 -6.4485 -0.3555 -0.3555 0.4932 0.4932 1.1890 1.1890 1.5549 1.5549 1.6870 1.6870 1.9466 1.9466 2.0770 2.0770 2.2323 2.2323 2.3426 2.3426 2.5237 2.5237 2.6342 2.6342 2.8078 2.8078 3.0981 3.0981 3.2601 3.2601 3.4852 3.4852 3.5199 3.5199 3.8938 3.8938 4.2450 4.2450 4.4125 4.4125 4.6290 4.6290 5.2969 5.2969 5.5802 5.5802 9.5798 9.5798 9.9547 9.9547 10.3677 10.3677 10.6331 10.6331 10.9509 10.9509 k = 0.0089 0.5033 0.4193 ( 5916 PWs) bands (ev): -7.3457 -7.3455 -6.8541 -6.8540 -6.4755 -6.4753 -6.4487 -6.4486 -0.3553 -0.3549 0.4918 0.4923 1.1874 1.1901 1.5463 1.5507 1.6895 1.6962 1.9450 1.9476 2.0715 2.0843 2.2297 2.2319 2.3421 2.3451 2.5193 2.5240 2.6309 2.6367 2.8065 2.8090 3.0933 3.1020 3.2454 3.2751 3.4788 3.4836 3.5238 3.5269 3.8946 3.8985 4.2421 4.2489 4.4071 4.4212 4.6280 4.6322 5.2947 5.3002 5.5788 5.5803 9.5803 9.5809 9.9466 9.9471 10.3666 10.3674 10.6433 10.6443 10.9473 10.9491 k = 0.0179 0.4920 0.4338 ( 5920 PWs) bands (ev): -7.3442 -7.3440 -6.8541 -6.8539 -6.4768 -6.4764 -6.4492 -6.4489 -0.3541 -0.3533 0.4883 0.4893 1.1851 1.1904 1.5284 1.5355 1.7021 1.7137 1.9428 1.9480 2.0678 2.0932 2.2246 2.2285 2.3437 2.3493 2.5116 2.5198 2.6273 2.6382 2.8054 2.8093 3.0883 3.1046 3.2320 3.2898 3.4691 3.4768 3.5347 3.5409 3.9012 3.9079 4.2403 4.2538 4.4052 4.4333 4.6293 4.6377 5.2936 5.3045 5.5761 5.5790 9.5824 9.5835 9.9244 9.9253 10.3640 10.3656 10.6729 10.6751 10.9385 10.9421 k = 0.0268 0.4806 0.4483 ( 5908 PWs) bands (ev): -7.3418 -7.3415 -6.8541 -6.8538 -6.4790 -6.4783 -6.4500 -6.4496 -0.3520 -0.3508 0.4825 0.4840 1.1822 1.1901 1.5055 1.5138 1.7203 1.7354 1.9401 1.9481 2.0660 2.1037 2.2179 2.2225 2.3471 2.3542 2.5015 2.5112 2.6234 2.6384 2.8049 2.8083 3.0834 3.1050 3.2210 3.3035 3.4596 3.4688 3.5479 3.5590 3.9142 3.9217 4.2395 4.2593 4.4070 4.4487 4.6328 4.6455 5.2937 5.3098 5.5721 5.5764 9.5861 9.5877 9.8920 9.8932 10.3598 10.3620 10.7169 10.7203 10.9241 10.9301 k = 0.0357 0.4692 0.4627 ( 5908 PWs) bands (ev): -7.3384 -7.3379 -6.8541 -6.8538 -6.4818 -6.4810 -6.4510 -6.4506 -0.3490 -0.3474 0.4747 0.4766 1.1786 1.1889 1.4800 1.4887 1.7405 1.7586 1.9371 1.9480 2.0657 2.1154 2.2100 2.2144 2.3516 2.3593 2.4899 2.4988 2.6190 2.6372 2.8048 2.8053 3.0788 3.1026 3.2134 3.3158 3.4516 3.4607 3.5614 3.5800 3.9338 3.9396 4.2394 4.2652 4.4127 4.4671 4.6383 4.6556 5.2949 5.3159 5.5667 5.5724 9.5912 9.5933 9.8534 9.8549 10.3533 10.3561 10.7658 10.7699 10.9026 10.9123 k = 0.0446 0.4579 0.4772 ( 5912 PWs) bands (ev): -7.3340 -7.3335 -6.8542 -6.8537 -6.4854 -6.4844 -6.4524 -6.4518 -0.3450 -0.3431 0.4649 0.4672 1.1744 1.1870 1.4532 1.4620 1.7612 1.7822 1.9338 1.9477 2.0669 2.1280 2.2018 2.2052 2.3564 2.3636 2.4779 2.4839 2.6137 2.6348 2.8001 2.8052 3.0749 3.0970 3.2097 3.3263 3.4458 3.4527 3.5746 3.6031 3.9600 3.9616 4.2399 4.2711 4.4224 4.4885 4.6458 4.6678 5.2974 5.3227 5.5599 5.5669 9.5976 9.6001 9.8121 9.8139 10.3441 10.3473 10.7938 10.7946 10.8883 10.8954 k = 0.0536 0.4465 0.4916 ( 5916 PWs) bands (ev): -7.3287 -7.3280 -6.8544 -6.8538 -6.4896 -6.4885 -6.4540 -6.4534 -0.3401 -0.3379 0.4532 0.4559 1.1695 1.1841 1.4257 1.4345 1.7812 1.8051 1.9308 1.9475 2.0692 2.1411 2.1936 2.1958 2.3610 2.3664 2.4665 2.4675 2.6072 2.6313 2.7926 2.8056 3.0717 3.0891 3.2096 3.3346 3.4428 3.4449 3.5871 3.6272 3.9878 3.9925 4.2406 4.2769 4.4361 4.5126 4.6552 4.6821 5.3010 5.3302 5.5515 5.5599 9.6051 9.6082 9.7706 9.7727 10.3314 10.3350 10.7643 10.7728 10.8737 10.8806 k = 0.0625 0.4351 0.5061 ( 5914 PWs) bands (ev): -7.3224 -7.3216 -6.8547 -6.8541 -6.4944 -6.4931 -6.4559 -6.4552 -0.3343 -0.3317 0.4398 0.4427 1.1639 1.1803 1.3981 1.4068 1.7999 1.8270 1.9282 1.9473 2.0725 2.1535 2.1859 2.1878 2.3648 2.3667 2.4510 2.4566 2.5992 2.6267 2.7829 2.8058 3.0694 3.0798 3.2122 3.3403 3.4376 3.4434 3.5987 3.6512 4.0182 4.0308 4.2416 4.2824 4.4538 4.5391 4.6663 4.6982 5.3058 5.3381 5.5416 5.5514 9.6136 9.6171 9.7306 9.7330 10.3147 10.3183 10.7120 10.7236 10.8576 10.8650 k = 0.0714 0.4237 0.5206 ( 5916 PWs) bands (ev): -7.3152 -7.3143 -6.8553 -6.8546 -6.4997 -6.4982 -6.4581 -6.4573 -0.3276 -0.3247 0.4248 0.4280 1.1575 1.1755 1.3705 1.3792 1.8168 1.8473 1.9263 1.9471 2.0765 2.1600 2.1789 2.1864 2.3638 2.3668 2.4356 2.4492 2.5899 2.6214 2.7715 2.8055 3.0679 3.0705 3.2165 3.3435 3.4313 3.4475 3.6093 3.6741 4.0530 4.0741 4.2429 4.2877 4.4750 4.5676 4.6789 4.7160 5.3116 5.3464 5.5301 5.5412 9.6228 9.6266 9.6935 9.6962 10.2934 10.2969 10.6511 10.6641 10.8436 10.8511 k = 0.0804 0.4124 0.5350 ( 5910 PWs) bands (ev): -7.3071 -7.3061 -6.8562 -6.8555 -6.5053 -6.5038 -6.4606 -6.4597 -0.3199 -0.3167 0.4083 0.4118 1.1505 1.1697 1.3433 1.3519 1.8316 1.8657 1.9253 1.9471 2.0811 2.1565 2.1727 2.1963 2.3575 2.3661 2.4230 2.4445 2.5792 2.6154 2.7587 2.8041 3.0620 3.0673 3.2216 3.3443 3.4262 3.4552 3.6190 3.6952 4.0917 4.1215 4.2449 4.2928 4.4993 4.5977 4.6931 4.7351 5.3183 5.3549 5.5171 5.5295 9.6323 9.6363 9.6599 9.6629 10.2675 10.2706 10.5856 10.5993 10.8328 10.8401 k = 0.0893 0.4010 0.5495 ( 5912 PWs) bands (ev): -7.2981 -7.2970 -6.8574 -6.8567 -6.5112 -6.5096 -6.4633 -6.4623 -0.3114 -0.3078 0.3906 0.3942 1.1427 1.1630 1.3165 1.3251 1.8440 1.8818 1.9255 1.9472 2.0862 2.1498 2.1677 2.2109 2.3484 2.3614 2.4144 2.4420 2.5675 2.6088 2.7453 2.8015 3.0550 3.0674 3.2267 3.3435 3.4229 3.4658 3.6278 3.7138 4.1335 4.1719 4.2484 4.2982 4.5263 4.6289 4.7085 4.7554 5.3257 5.3632 5.5026 5.5161 9.6304 9.6332 9.6420 9.6466 10.2371 10.2397 10.5173 10.5312 10.8256 10.8324 k = 0.0982 0.3896 0.5639 ( 5908 PWs) bands (ev): -7.2883 -7.2871 -6.8592 -6.8585 -6.5172 -6.5155 -6.4662 -6.4652 -0.3019 -0.2981 0.3717 0.3754 1.1344 1.1553 1.2904 1.2989 1.8539 1.8952 1.9269 1.9473 2.0917 2.1434 2.1636 2.2267 2.3374 2.3534 2.4099 2.4407 2.5551 2.6018 2.7318 2.7976 3.0500 3.0682 3.2311 3.3415 3.4218 3.4788 3.6358 3.7298 4.1760 4.2236 4.2554 4.3048 4.5553 4.6605 4.7251 4.7765 5.3338 5.3711 5.4869 5.5013 9.6054 9.6085 9.6511 9.6555 10.2028 10.2047 10.4474 10.4613 10.8220 10.8280 k = 0.1071 0.3782 0.5784 ( 5908 PWs) bands (ev): -7.2776 -7.2763 -6.8615 -6.8609 -6.5232 -6.5214 -6.4694 -6.4683 -0.2914 -0.2874 0.3518 0.3556 1.1256 1.1469 1.2650 1.2735 1.8613 1.9057 1.9294 1.9474 2.0975 2.1383 2.1606 2.2427 2.3253 2.3439 2.4078 2.4398 2.5423 2.5943 2.7188 2.7922 3.0468 3.0696 3.2344 3.3389 3.4231 3.4936 3.6431 3.7432 4.2123 4.2711 4.2726 4.3177 4.5858 4.6918 4.7431 4.7981 5.3421 5.3778 5.4707 5.4854 9.5850 9.5882 9.6592 9.6636 10.1655 10.1667 10.3770 10.3906 10.8217 10.8265 k = 0.1161 0.3669 0.5929 ( 5902 PWs) bands (ev): -7.2661 -7.2647 -6.8646 -6.8640 -6.5289 -6.5272 -6.4729 -6.4717 -0.2801 -0.2759 0.3310 0.3349 1.1163 1.1378 1.2405 1.2490 1.8666 1.9133 1.9328 1.9477 2.1034 2.1347 2.1585 2.2580 2.3128 2.3349 2.4066 2.4387 2.5298 2.5865 2.7068 2.7857 3.0456 3.0714 3.2362 3.3359 3.4269 3.5098 3.6498 3.7542 4.2334 4.2973 4.3084 4.3532 4.6172 4.7216 4.7629 4.8199 5.3501 5.3821 5.4552 5.4687 9.5691 9.5723 9.6659 9.6700 10.1263 10.1268 10.3069 10.3199 10.8240 10.8273 k = 0.1250 0.3555 0.6073 ( 5902 PWs) bands (ev): -7.2539 -7.2524 -6.8685 -6.8680 -6.5344 -6.5327 -6.4766 -6.4754 -0.2679 -0.2635 0.3094 0.3134 1.1067 1.1281 1.2169 1.2254 1.8704 1.9180 1.9367 1.9479 2.1094 2.1327 2.1573 2.2715 2.3002 2.3280 2.4055 2.4373 2.5179 2.5785 2.6960 2.7781 3.0461 3.0736 3.2363 3.3329 3.4331 3.5270 3.6560 3.7628 4.2453 4.3080 4.3560 4.4051 4.6488 4.7484 4.7853 4.8416 5.3573 5.3815 5.4430 5.4520 9.5577 9.5608 9.6706 9.6741 10.0861 10.0865 10.2377 10.2502 10.8286 10.8299 k = 0.1339 0.3441 0.6218 ( 5910 PWs) bands (ev): -7.2409 -7.2393 -6.8734 -6.8729 -6.5394 -6.5378 -6.4804 -6.4792 -0.2548 -0.2502 0.2873 0.2913 1.0970 1.1181 1.1944 1.2029 1.8731 1.9201 1.9406 1.9482 2.1151 2.1319 2.1569 2.2816 2.2875 2.3250 2.4042 2.4355 2.5073 2.5705 2.6864 2.7697 3.0479 3.0761 3.2349 3.3298 3.4413 3.5448 3.6618 3.7694 4.2556 4.3162 4.4072 4.4596 4.6802 4.7712 4.8107 4.8627 5.3623 5.3735 5.4368 5.4370 9.5505 9.5534 9.6725 9.6753 10.0459 10.0471 10.1702 10.1819 10.8342 10.8352 k = 0.1429 0.3327 0.6362 ( 5908 PWs) bands (ev): -7.2273 -7.2256 -6.8793 -6.8789 -6.5438 -6.5424 -6.4845 -6.4833 -0.2408 -0.2361 0.2646 0.2686 1.0874 1.1080 1.1731 1.1816 1.8752 1.9203 1.9443 1.9482 2.1203 2.1322 2.1572 2.2751 2.2864 2.3268 2.4031 2.4334 2.4986 2.5630 2.6780 2.7606 3.0509 3.0788 3.2322 3.3269 3.4509 3.5629 3.6673 3.7742 4.2670 4.3250 4.4589 4.5131 4.7108 4.7908 4.8379 4.8828 5.3589 5.3629 5.4256 5.4366 9.5471 9.5498 9.6713 9.6732 10.0072 10.0092 10.1049 10.1157 10.8403 10.8437 k = 0.1518 0.3214 0.6507 ( 5906 PWs) bands (ev): -7.2130 -7.2113 -6.8862 -6.8861 -6.5476 -6.5462 -6.4888 -6.4875 -0.2260 -0.2212 0.2415 0.2456 1.0778 1.0979 1.1529 1.1615 1.8771 1.9190 1.9476 1.9480 2.1246 2.1331 2.1584 2.2628 2.2871 2.3310 2.4030 2.4312 2.4922 2.5562 2.6704 2.7511 3.0548 3.0817 3.2284 3.3241 3.4614 3.5809 3.6724 3.7774 4.2804 4.3351 4.5091 4.5637 4.7401 4.8085 4.8652 4.9013 5.3415 5.3572 5.4208 5.4388 9.5471 9.5495 9.6665 9.6672 9.9711 9.9738 10.0425 10.0524 10.8487 10.8544 k = 0.1607 0.3100 0.6652 ( 5908 PWs) bands (ev): -7.1981 -7.1964 -6.8944 -6.8943 -6.5505 -6.5493 -6.4932 -6.4919 -0.2104 -0.2055 0.2182 0.2222 1.0686 1.0880 1.1341 1.1428 1.8789 1.9169 1.9472 1.9504 2.1278 2.1343 2.1606 2.2508 2.2864 2.3335 2.4049 2.4291 2.4888 2.5504 2.6635 2.7412 3.0593 3.0846 3.2237 3.3215 3.4722 3.5985 3.6773 3.7793 4.2963 4.3472 4.5566 4.6096 4.7675 4.8252 4.8914 4.9179 5.3241 5.3466 5.4213 5.4416 9.5499 9.5519 9.6575 9.6579 9.9383 9.9415 9.9835 9.9924 10.8600 10.8676 k = 0.1696 0.2986 0.6796 ( 5904 PWs) bands (ev): -7.1827 -7.1809 -6.9038 -6.9036 -6.5526 -6.5516 -6.4977 -6.4964 -0.1940 -0.1890 0.1946 0.1986 1.0599 1.0785 1.1167 1.1256 1.8809 1.9144 1.9460 1.9525 2.1298 2.1356 2.1634 2.2391 2.2858 2.3325 2.4087 2.4272 2.4888 2.5462 2.6567 2.7309 3.0642 3.0874 3.2186 3.3191 3.4827 3.6155 3.6820 3.7799 4.3150 4.3614 4.5998 4.6487 4.7928 4.8422 4.9158 4.9319 5.3089 5.3347 5.4243 5.4438 9.5548 9.5564 9.6444 9.6459 9.9092 9.9127 9.9289 9.9366 10.8746 10.8836 k = 0.1786 0.2872 0.6941 ( 5902 PWs) bands (ev): -7.1669 -7.1650 -6.9144 -6.9140 -6.5539 -6.5531 -6.5024 -6.5011 -0.1768 -0.1718 0.1708 0.1749 1.0518 1.0696 1.1007 1.1098 1.8831 1.9119 1.9443 1.9538 2.1311 2.1370 2.1668 2.2278 2.2856 2.3281 2.4131 2.4255 2.4928 2.5436 2.6499 2.7203 3.0695 3.0901 3.2130 3.3170 3.4925 3.6315 3.6864 3.7794 4.3367 4.3780 4.6371 4.6786 4.8153 4.8604 4.9378 4.9432 5.2977 5.3242 5.4277 5.4448 9.5610 9.5621 9.6289 9.6312 9.8783 9.8845 9.8845 9.8883 10.8929 10.9029 k = 0.1875 0.2759 0.7085 ( 5902 PWs) bands (ev): -7.1506 -7.1487 -6.9261 -6.9256 -6.5543 -6.5537 -6.5071 -6.5059 -0.1588 -0.1538 0.1470 0.1511 1.0445 1.0614 1.0862 1.0956 1.8857 1.9096 1.9422 1.9543 2.1318 2.1383 2.1701 2.2170 2.2860 2.3218 2.4166 2.4240 2.5008 2.5429 2.6429 2.7091 3.0750 3.0926 3.2072 3.3151 3.5015 3.6464 3.6905 3.7780 4.3612 4.3970 4.6668 4.6976 4.8350 4.8807 4.9519 4.9572 5.2914 5.3167 5.4304 5.4444 9.5674 9.5681 9.6121 9.6150 9.8350 9.8403 9.8619 9.8648 10.9151 10.9253 k = 0.1964 0.2645 0.7230 ( 5908 PWs) bands (ev): -7.1340 -7.1321 -6.9389 -6.9381 -6.5539 -6.5535 -6.5119 -6.5107 -0.1402 -0.1352 0.1233 0.1274 1.0381 1.0541 1.0734 1.0831 1.8885 1.9076 1.9398 1.9541 2.1326 2.1397 2.1730 2.2071 2.2867 2.3146 2.4186 2.4227 2.5122 2.5440 2.6356 2.6976 3.0804 3.0949 3.2014 3.3134 3.5093 3.6600 3.6942 3.7759 4.3883 4.4185 4.6869 4.7054 4.8519 4.9025 4.9589 4.9737 5.2908 5.3132 5.4318 5.4423 9.5727 9.5731 9.5954 9.5986 9.7983 9.8023 9.8422 9.8445 10.9408 10.9508 k = 0.2054 0.2531 0.7375 ( 5906 PWs) bands (ev): -7.1171 -7.1152 -6.9526 -6.9516 -6.5528 -6.5526 -6.5166 -6.5155 -0.1209 -0.1159 0.0996 0.1038 1.0328 1.0478 1.0621 1.0722 1.8916 1.9060 1.9373 1.9531 2.1336 2.1410 2.1748 2.1984 2.2876 2.3075 2.4195 2.4216 2.5259 2.5470 2.6278 2.6855 3.0857 3.0969 3.1958 3.3120 3.5160 3.6722 3.6974 3.7731 4.4179 4.4421 4.6958 4.7032 4.8666 4.9242 4.9650 4.9871 5.2953 5.3138 5.4317 5.4384 9.5752 9.5752 9.5805 9.5835 9.7702 9.7728 9.8246 9.8260 10.9696 10.9790 k = 0.2143 0.2417 0.7519 ( 5904 PWs) bands (ev): -7.1000 -7.0981 -6.9671 -6.9660 -6.5510 -6.5509 -6.5214 -6.5202 -0.1010 -0.0961 0.0760 0.0803 1.0285 1.0427 1.0526 1.0632 1.8949 1.9048 1.9348 1.9514 2.1352 2.1423 2.1744 2.1923 2.2887 2.3009 2.4196 2.4206 2.5410 2.5517 2.6196 2.6729 3.0907 3.0986 3.1905 3.3109 3.5214 3.6829 3.7001 3.7700 4.4491 4.4675 4.6930 4.6933 4.8793 4.9441 4.9708 4.9975 5.3040 5.3179 5.4300 5.4327 9.5664 9.5694 9.5754 9.5754 9.7517 9.7529 9.8084 9.8091 11.0010 11.0093 k = 0.2232 0.2304 0.7664 ( 5904 PWs) bands (ev): -7.0828 -7.0810 -6.9823 -6.9811 -6.5487 -6.5485 -6.5260 -6.5249 -0.0805 -0.0756 0.0527 0.0570 1.0255 1.0387 1.0448 1.0559 1.8981 1.9041 1.9326 1.9494 2.1374 2.1434 2.1708 2.1896 2.2895 2.2955 2.4193 2.4198 2.5564 2.5577 2.6112 2.6600 3.0951 3.0999 3.1859 3.3100 3.5255 3.6919 3.7022 3.7668 4.4814 4.4938 4.6769 4.6809 4.8900 4.9608 4.9761 5.0049 5.3151 5.3245 5.4256 5.4269 9.5569 9.5597 9.5706 9.5706 9.7429 9.7429 9.7933 9.7934 11.0342 11.0411 k = 0.2321 0.2190 0.7808 ( 5912 PWs) bands (ev): -7.0656 -7.0638 -6.9982 -6.9969 -6.5459 -6.5456 -6.5305 -6.5295 -0.0594 -0.0546 0.0296 0.0340 1.0235 1.0359 1.0389 1.0506 1.9008 1.9037 1.9307 1.9474 2.1403 2.1443 2.1653 2.1892 2.2896 2.2920 2.4190 2.4191 2.5647 2.5714 2.6026 2.6472 3.0986 3.1009 3.1822 3.3094 3.5285 3.6988 3.7037 3.7639 4.5131 4.5198 4.6575 4.6618 4.8982 4.9735 4.9805 5.0097 5.3267 5.3318 5.4179 5.4232 9.5510 9.5534 9.5636 9.5638 9.7413 9.7420 9.7788 9.7796 11.0682 11.0736 k = 0.2411 0.2076 0.7953 ( 5920 PWs) bands (ev): -7.0484 -7.0467 -7.0145 -7.0131 -6.5426 -6.5423 -6.5347 -6.5338 -0.0379 -0.0331 0.0069 0.0113 1.0226 1.0343 1.0351 1.0474 1.9028 1.9035 1.9295 1.9459 2.1434 2.1449 2.1602 2.1893 2.2880 2.2914 2.4187 2.4187 2.5719 2.5841 2.5945 2.6359 3.1008 3.1014 3.1798 3.3090 3.5302 3.7033 3.7046 3.7617 4.5409 4.5421 4.6388 4.6409 4.9033 4.9816 4.9834 5.0121 5.3361 5.3376 5.4113 5.4199 9.5490 9.5510 9.5566 9.5571 9.7458 9.7469 9.7657 9.7670 11.1022 11.1058 k = 0.2500 0.1962 0.8098 ( 5932 PWs) bands (ev): -7.0331 -7.0299 -7.0296 -7.0296 -6.5396 -6.5396 -6.5380 -6.5367 -0.0186 -0.0128 -0.0128 -0.0095 1.0223 1.0338 1.0338 1.0462 1.9035 1.9035 1.9290 1.9453 2.1451 2.1451 2.1578 2.1894 2.2872 2.2915 2.4186 2.4186 2.5762 2.5899 2.5899 2.6305 3.1016 3.1016 3.1790 3.3088 3.5308 3.7049 3.7049 3.7609 4.5524 4.5542 4.6298 4.6298 4.9050 4.9844 4.9844 5.0128 5.3399 5.3399 5.4085 5.4186 9.5500 9.5524 9.5524 9.5526 9.7542 9.7542 9.7546 9.7573 11.1316 11.1316 k = 0.2500 0.1962 0.8098 ( 5932 PWs) bands (ev): -7.0331 -7.0299 -7.0296 -7.0296 -6.5396 -6.5396 -6.5380 -6.5367 -0.0186 -0.0128 -0.0128 -0.0095 1.0223 1.0338 1.0338 1.0462 1.9035 1.9035 1.9290 1.9453 2.1451 2.1451 2.1578 2.1894 2.2872 2.2915 2.4186 2.4186 2.5762 2.5899 2.5899 2.6305 3.1016 3.1016 3.1790 3.3088 3.5308 3.7049 3.7049 3.7609 4.5524 4.5542 4.6298 4.6298 4.9050 4.9844 4.9844 5.0128 5.3399 5.3399 5.4085 5.4186 9.5500 9.5524 9.5524 9.5526 9.7542 9.7542 9.7546 9.7573 11.1316 11.1316 k = 0.2625 0.2061 0.7973 ( 5925 PWs) bands (ev): -7.0414 -7.0396 -7.0213 -7.0200 -6.5412 -6.5409 -6.5363 -6.5353 -0.0295 -0.0246 -0.0026 0.0019 1.0233 1.0340 1.0361 1.0476 1.9019 1.9048 1.9291 1.9455 2.1434 2.1461 2.1582 2.1890 2.2875 2.2920 2.4164 2.4205 2.5738 2.5868 2.5911 2.6319 3.0930 3.1111 3.1794 3.3089 3.5308 3.6987 3.7099 3.7609 4.5459 4.5468 4.6281 4.6366 4.9068 4.9823 4.9900 5.0141 5.3383 5.3394 5.4096 5.4190 9.5390 9.5401 9.5491 9.5496 9.7598 9.7598 9.7665 9.7677 11.1124 11.1151 k = 0.2750 0.2159 0.7848 ( 5923 PWs) bands (ev): -7.0504 -7.0487 -7.0126 -7.0113 -6.5432 -6.5428 -6.5340 -6.5331 -0.0425 -0.0375 0.0087 0.0134 1.0256 1.0376 1.0400 1.0520 1.9006 1.9057 1.9295 1.9459 2.1414 2.1465 2.1588 2.1876 2.2883 2.2936 2.4138 2.4224 2.5687 2.5796 2.5924 2.6343 3.0853 3.1210 3.1809 3.3089 3.5311 3.6907 3.7143 3.7609 4.5270 4.5278 4.6297 4.6475 4.9121 4.9841 4.9987 5.0178 5.3348 5.3381 5.4121 5.4201 9.5104 9.5109 9.5384 9.5389 9.7832 9.7844 9.7882 9.7892 11.0852 11.0890 k = 0.2875 0.2257 0.7723 ( 5916 PWs) bands (ev): -7.0585 -7.0570 -7.0048 -7.0037 -6.5449 -6.5446 -6.5318 -6.5308 -0.0549 -0.0499 0.0188 0.0235 1.0291 1.0447 1.0448 1.0599 1.8992 1.9065 1.9304 1.9466 2.1392 2.1468 2.1589 2.1855 2.2897 2.2961 2.4107 2.4240 2.5622 2.5703 2.5926 2.6359 3.0789 3.1310 3.1834 3.3091 3.5314 3.6814 3.7179 3.7605 4.4994 4.5024 4.6308 4.6581 4.9205 4.9894 5.0101 5.0236 5.3306 5.3366 5.4152 5.4214 9.4723 9.4723 9.5223 9.5230 9.8152 9.8155 9.8212 9.8218 11.0556 11.0599 k = 0.3000 0.2355 0.7599 ( 5911 PWs) bands (ev): -7.0658 -7.0643 -6.9980 -6.9970 -6.5464 -6.5462 -6.5297 -6.5287 -0.0664 -0.0615 0.0274 0.0322 1.0339 1.0503 1.0550 1.0710 1.8975 1.9072 1.9323 1.9473 2.1368 2.1469 2.1588 2.1830 2.2914 2.2993 2.4071 2.4254 2.5547 2.5598 2.5914 2.6357 3.0739 3.1406 3.1872 3.3094 3.5319 3.6711 3.7208 3.7596 4.4674 4.4736 4.6286 4.6656 4.9316 4.9973 5.0234 5.0314 5.3269 5.3358 5.4181 5.4225 9.4301 9.4305 9.5032 9.5044 9.8475 9.8478 9.8636 9.8654 11.0250 11.0296 k = 0.3125 0.2453 0.7474 ( 5909 PWs) bands (ev): -7.0722 -7.0707 -6.9922 -6.9914 -6.5477 -6.5475 -6.5279 -6.5268 -0.0768 -0.0720 0.0346 0.0394 1.0400 1.0569 1.0678 1.0846 1.8951 1.9079 1.9355 1.9482 2.1340 2.1460 2.1590 2.1802 2.2934 2.3030 2.4031 2.4265 2.5465 2.5485 2.5892 2.6338 3.0704 3.1492 3.1922 3.3099 3.5323 3.6600 3.7226 3.7577 4.4334 4.4439 4.6223 4.6688 4.9444 5.0066 5.0378 5.0410 5.3245 5.3363 5.4206 5.4231 9.3874 9.3882 9.4828 9.4844 9.8816 9.8821 9.9107 9.9130 10.9943 10.9988 k = 0.3250 0.2551 0.7349 ( 5912 PWs) bands (ev): -7.0776 -7.0762 -6.9875 -6.9868 -6.5487 -6.5486 -6.5263 -6.5252 -0.0858 -0.0813 0.0404 0.0452 1.0475 1.0644 1.0826 1.1003 1.8920 1.9085 1.9402 1.9494 2.1310 2.1438 2.1601 2.1774 2.2955 2.3071 2.3986 2.4272 2.5367 2.5376 2.5860 2.6301 3.0683 3.1567 3.1983 3.3106 3.5324 3.6484 3.7232 3.7546 4.3990 4.4152 4.6117 4.6672 4.9580 5.0162 5.0521 5.0524 5.3239 5.3387 5.4223 5.4228 9.3461 9.3473 9.4618 9.4640 9.9168 9.9174 9.9604 9.9630 10.9638 10.9681 k = 0.3375 0.2649 0.7224 ( 5912 PWs) bands (ev): -7.0820 -7.0807 -6.9838 -6.9833 -6.5495 -6.5494 -6.5251 -6.5239 -0.0933 -0.0889 0.0449 0.0496 1.0563 1.0729 1.0990 1.1175 1.8884 1.9090 1.9462 1.9509 2.1278 2.1404 2.1621 2.1747 2.2978 2.3114 2.3938 2.4276 2.5248 2.5282 2.5823 2.6250 3.0678 3.1631 3.2053 3.3114 3.5323 3.6364 3.7224 3.7500 4.3657 4.3887 4.5973 4.6611 4.9715 5.0248 5.0643 5.0662 5.3254 5.3433 5.4216 5.4234 9.3076 9.3092 9.4411 9.4438 9.9526 9.9532 10.0115 10.0142 10.9338 10.9376 k = 0.3500 0.2747 0.7100 ( 5910 PWs) bands (ev): -7.0854 -7.0841 -6.9812 -6.9808 -6.5500 -6.5500 -6.5242 -6.5230 -0.0989 -0.0949 0.0482 0.0527 1.0661 1.0822 1.1164 1.1356 1.8848 1.9096 1.9527 1.9531 2.1246 2.1362 2.1646 2.1721 2.3002 2.3158 2.3890 2.4273 2.5131 2.5186 2.5781 2.6186 3.0687 3.1684 3.2126 3.3125 3.5316 3.6241 3.7199 3.7437 4.3343 4.3652 4.5797 4.6508 4.9844 5.0322 5.0770 5.0787 5.3286 5.3500 5.4195 5.4240 9.2729 9.2750 9.4210 9.4243 9.9884 9.9890 10.0631 10.0659 10.9041 10.9071 k = 0.3625 0.2846 0.6975 ( 5912 PWs) bands (ev): -7.0877 -7.0865 -6.9796 -6.9793 -6.5503 -6.5502 -6.5238 -6.5225 -0.1026 -0.0989 0.0502 0.0546 1.0769 1.0922 1.1342 1.1539 1.8815 1.9102 1.9548 1.9606 2.1212 2.1314 2.1672 2.1698 2.3026 2.3201 2.3842 2.4264 2.5020 2.5088 2.5738 2.6113 3.0710 3.1729 3.2199 3.3136 3.5303 3.6115 3.7156 3.7357 4.3058 4.3454 4.5593 4.6370 4.9962 5.0380 5.0896 5.0896 5.3327 5.3579 5.4169 5.4244 9.2428 9.2454 9.4017 9.4056 10.0240 10.0244 10.1147 10.1174 10.8745 10.8765 k = 0.3750 0.2944 0.6850 ( 5908 PWs) bands (ev): -7.0890 -7.0879 -6.9792 -6.9790 -6.5503 -6.5501 -6.5237 -6.5225 -0.1041 -0.1008 0.0511 0.0553 1.0886 1.1028 1.1519 1.1719 1.8791 1.9114 1.9570 1.9683 2.1179 2.1265 2.1678 2.1698 2.3050 2.3243 2.3797 2.4246 2.4921 2.4992 2.5693 2.6033 3.0746 3.1766 3.2269 3.3148 3.5282 3.5985 3.7094 3.7261 4.2808 4.3296 4.5367 4.6200 5.0069 5.0426 5.0991 5.1016 5.3365 5.3656 5.4142 5.4249 9.2180 9.2211 9.3836 9.3879 10.0592 10.0593 10.1656 10.1680 10.8448 10.8456 k = 0.3875 0.3042 0.6725 ( 5908 PWs) bands (ev): -7.0892 -7.0882 -6.9798 -6.9797 -6.5500 -6.5498 -6.5241 -6.5228 -0.1035 -0.1006 0.0509 0.0549 1.1010 1.1138 1.1688 1.1888 1.8781 1.9135 1.9593 1.9759 2.1146 2.1216 2.1661 2.1720 2.3072 2.3280 2.3757 2.4219 2.4839 2.4901 2.5647 2.5949 3.0793 3.1796 3.2334 3.3158 3.5252 3.5852 3.7014 3.7151 4.2597 4.3178 4.5121 4.6003 5.0165 5.0465 5.1074 5.1126 5.3391 5.3709 5.4126 5.4257 9.1989 9.2026 9.3667 9.3715 10.0934 10.0938 10.2151 10.2171 10.8138 10.8145 k = 0.4000 0.3140 0.6601 ( 5912 PWs) bands (ev): -7.0884 -7.0874 -6.9816 -6.9816 -6.5495 -6.5492 -6.5248 -6.5235 -0.1005 -0.0981 0.0496 0.0534 1.1139 1.1251 1.1842 1.2040 1.8790 1.9168 1.9614 1.9829 2.1114 2.1169 2.1649 2.1737 2.3092 2.3311 2.3727 2.4182 2.4777 2.4819 2.5602 2.5861 3.0852 3.1817 3.2395 3.3166 3.5213 3.5717 3.6916 3.7030 4.2427 4.3100 4.4857 4.5781 5.0252 5.0499 5.1147 5.1225 5.3398 5.3721 5.4132 5.4266 9.1860 9.1902 9.3512 9.3565 10.1268 10.1276 10.2626 10.2641 10.7812 10.7834 k = 0.4125 0.3238 0.6476 ( 5911 PWs) bands (ev): -7.0864 -7.0855 -6.9846 -6.9845 -6.5487 -6.5484 -6.5258 -6.5245 -0.0952 -0.0932 0.0474 0.0509 1.1274 1.1367 1.1978 1.2169 1.8821 1.9218 1.9632 1.9893 2.1082 2.1124 2.1640 2.1745 2.3109 2.3331 2.3709 2.4139 2.4735 2.4749 2.5558 2.5773 3.0920 3.1829 3.2452 3.3170 3.5165 3.5580 3.6804 3.6901 4.2300 4.3057 4.4580 4.5538 5.0330 5.0533 5.1212 5.1308 5.3387 5.3690 5.4154 5.4272 9.1793 9.1841 9.3371 9.3429 10.1592 10.1606 10.3071 10.3080 10.7476 10.7516 k = 0.4250 0.3336 0.6351 ( 5913 PWs) bands (ev): -7.0834 -7.0825 -6.9889 -6.9887 -6.5476 -6.5472 -6.5270 -6.5259 -0.0875 -0.0860 0.0442 0.0474 1.1412 1.1485 1.2089 1.2270 1.8877 1.9287 1.9647 1.9947 2.1050 2.1084 2.1635 2.1744 2.3122 2.3335 2.3708 2.4097 2.4694 2.4711 2.5515 2.5685 3.0997 3.1828 3.2507 3.3167 3.5110 3.5444 3.6683 3.6769 4.2211 4.3043 4.4292 4.5276 5.0405 5.0571 5.1265 5.1370 5.3364 5.3634 5.4171 5.4265 9.1790 9.1843 9.3247 9.3309 10.1905 10.1926 10.3475 10.3479 10.7138 10.7195 k = 0.4375 0.3434 0.6226 ( 5912 PWs) bands (ev): -7.0792 -7.0784 -6.9944 -6.9941 -6.5462 -6.5458 -6.5285 -6.5274 -0.0775 -0.0766 0.0399 0.0429 1.1553 1.1605 1.2175 1.2342 1.8959 1.9373 1.9661 1.9992 2.1019 2.1049 2.1632 2.1733 2.3130 2.3320 2.3729 2.4060 2.4658 2.4701 2.5474 2.5601 3.1083 3.1816 3.2562 3.3155 3.5049 3.5311 3.6558 3.6637 4.2160 4.3051 4.3997 4.4997 5.0476 5.0611 5.1302 5.1405 5.3339 5.3571 5.4169 5.4240 9.1848 9.1907 9.3138 9.3205 10.2207 10.2234 10.3816 10.3819 10.6815 10.6888 k = 0.4500 0.3532 0.6102 ( 5922 PWs) bands (ev): -7.0740 -7.0733 -7.0012 -7.0009 -6.5446 -6.5442 -6.5300 -6.5290 -0.0653 -0.0648 0.0347 0.0374 1.1696 1.1725 1.2233 1.2383 1.9062 1.9468 1.9682 2.0028 2.0989 2.1018 2.1630 2.1712 2.3133 2.3288 2.3769 2.4034 2.4641 2.4699 2.5435 2.5522 3.1174 3.1789 3.2619 3.3133 3.4984 3.5183 3.6434 3.6506 4.2142 4.3068 4.3706 4.4704 5.0545 5.0654 5.1317 5.1406 5.3324 5.3514 5.4140 5.4193 9.1964 9.2028 9.3047 9.3117 10.2494 10.2529 10.4056 10.4067 10.6546 10.6632 k = 0.4625 0.3631 0.5977 ( 5912 PWs) bands (ev): -7.0676 -7.0670 -7.0094 -7.0090 -6.5428 -6.5423 -6.5316 -6.5306 -0.0509 -0.0508 0.0285 0.0309 1.1840 1.1845 1.2266 1.2396 1.9181 1.9537 1.9739 2.0058 2.0962 2.0993 2.1627 2.1683 2.3131 2.3244 2.3826 2.4021 2.4641 2.4702 2.5399 2.5453 3.1272 3.1751 3.2680 3.3097 3.4919 3.5062 3.6317 3.6380 4.2153 4.3053 4.3457 4.4400 5.0609 5.0695 5.1302 5.1370 5.3327 5.3472 5.4084 5.4124 9.2131 9.2200 9.2973 9.3046 10.2766 10.2808 10.4145 10.4168 10.6392 10.6483 k = 0.4750 0.3729 0.5852 ( 5906 PWs) bands (ev): -7.0602 -7.0596 -7.0189 -7.0185 -6.5407 -6.5401 -6.5331 -6.5322 -0.0349 -0.0344 0.0212 0.0233 1.1965 1.1983 1.2277 1.2386 1.9305 1.9557 1.9850 2.0081 2.0943 2.0974 2.1623 2.1649 2.3125 2.3195 2.3892 2.4018 2.4655 2.4705 2.5369 2.5397 3.1374 3.1702 3.2746 3.3046 3.4856 3.4950 3.6210 3.6260 4.2187 4.2894 4.3358 4.4086 5.0664 5.0726 5.1255 5.1297 5.3351 5.3450 5.4009 5.4038 9.2342 9.2415 9.2916 9.2992 10.3018 10.3067 10.4045 10.4084 10.6403 10.6490 k = 0.4875 0.3827 0.5727 ( 5912 PWs) bands (ev): -7.0517 -7.0512 -7.0298 -7.0294 -6.5384 -6.5378 -6.5343 -6.5336 -0.0171 -0.0161 0.0128 0.0147 1.2081 1.2116 1.2280 1.2359 1.9424 1.9547 1.9984 2.0099 2.0937 2.0960 2.1615 2.1619 2.3116 2.3147 2.3965 2.4025 2.4677 2.4705 2.5348 2.5359 3.1479 3.1645 3.2817 3.2978 3.4799 3.4846 3.6118 3.6147 4.2239 4.2614 4.3386 4.3768 5.0696 5.0730 5.1181 5.1199 5.3387 5.3439 5.3931 5.3949 9.2587 9.2663 9.2877 9.2955 10.3244 10.3300 10.3786 10.3840 10.6559 10.6641 k = 0.5000 0.3925 0.5603 ( 5922 PWs) bands (ev): -7.0428 -7.0428 -7.0410 -7.0410 -6.5362 -6.5362 -6.5343 -6.5343 0.0003 0.0003 0.0069 0.0069 1.2184 1.2184 1.2333 1.2333 1.9525 1.9525 2.0111 2.0111 2.0950 2.0950 2.1603 2.1603 2.3106 2.3106 2.4039 2.4039 2.4701 2.4701 2.5342 2.5342 3.1584 3.1584 3.2895 3.2895 3.4751 3.4751 3.6043 3.6043 4.2303 4.2303 4.3450 4.3450 5.0675 5.0675 5.1104 5.1104 5.3412 5.3412 5.3888 5.3888 9.2852 9.2852 9.2938 9.2938 10.3428 10.3428 10.3508 10.3508 10.6790 10.6790 k = 0.5000 0.3925 0.5603 ( 5922 PWs) bands (ev): -7.0428 -7.0428 -7.0410 -7.0410 -6.5362 -6.5362 -6.5343 -6.5343 0.0003 0.0003 0.0069 0.0069 1.2184 1.2184 1.2333 1.2333 1.9525 1.9525 2.0111 2.0111 2.0950 2.0950 2.1603 2.1603 2.3106 2.3106 2.4039 2.4039 2.4701 2.4701 2.5342 2.5342 3.1584 3.1584 3.2895 3.2895 3.4751 3.4751 3.6043 3.6043 4.2303 4.2303 4.3450 4.3450 5.0675 5.0675 5.1104 5.1104 5.3412 5.3412 5.3888 5.3888 9.2852 9.2852 9.2938 9.2938 10.3428 10.3428 10.3508 10.3508 10.6790 10.6790 k = 0.5000 0.3925 0.5395 ( 5914 PWs) bands (ev): -7.0454 -7.0454 -7.0437 -7.0437 -6.5345 -6.5345 -6.5326 -6.5326 0.0085 0.0085 0.0158 0.0158 1.2265 1.2265 1.2418 1.2418 1.9571 1.9571 2.0208 2.0208 2.0964 2.0964 2.1586 2.1586 2.3067 2.3067 2.4119 2.4119 2.4710 2.4710 2.5344 2.5344 3.1624 3.1624 3.2887 3.2887 3.4640 3.4640 3.5907 3.5907 4.2098 4.2098 4.3242 4.3242 5.0548 5.0548 5.0980 5.0980 5.3379 5.3379 5.3849 5.3849 9.3064 9.3064 9.3157 9.3157 10.3195 10.3195 10.3276 10.3276 10.6497 10.6497 k = 0.5000 0.3925 0.5188 ( 5912 PWs) bands (ev): -7.0484 -7.0484 -7.0468 -7.0468 -6.5325 -6.5325 -6.5305 -6.5305 0.0164 0.0164 0.0243 0.0243 1.2357 1.2357 1.2516 1.2516 1.9604 1.9604 2.0295 2.0295 2.0977 2.0977 2.1571 2.1571 2.3027 2.3027 2.4206 2.4206 2.4717 2.4717 2.5354 2.5354 3.1670 3.1670 3.2883 3.2883 3.4531 3.4531 3.5769 3.5769 4.1906 4.1906 4.3026 4.3026 5.0419 5.0419 5.0859 5.0859 5.3349 5.3349 5.3809 5.3809 9.3263 9.3263 9.3363 9.3363 10.2852 10.2852 10.2936 10.2936 10.6248 10.6248 k = 0.5000 0.3925 0.4980 ( 5908 PWs) bands (ev): -7.0519 -7.0519 -7.0503 -7.0503 -6.5299 -6.5299 -6.5279 -6.5279 0.0237 0.0237 0.0324 0.0324 1.2459 1.2459 1.2628 1.2628 1.9620 1.9620 2.0366 2.0366 2.0983 2.0983 2.1562 2.1562 2.2992 2.2992 2.4297 2.4297 2.4721 2.4721 2.5373 2.5373 3.1722 3.1722 3.2881 3.2881 3.4427 3.4427 3.5630 3.5630 4.1731 4.1731 4.2809 4.2809 5.0289 5.0289 5.0739 5.0739 5.3321 5.3321 5.3766 5.3766 9.3438 9.3438 9.3547 9.3547 10.2436 10.2436 10.2523 10.2523 10.6024 10.6024 k = 0.5000 0.3925 0.4773 ( 5902 PWs) bands (ev): -7.0557 -7.0557 -7.0542 -7.0542 -6.5269 -6.5269 -6.5248 -6.5248 0.0305 0.0305 0.0398 0.0398 1.2571 1.2571 1.2751 1.2751 1.9619 1.9619 2.0419 2.0419 2.0978 2.0978 2.1562 2.1562 2.2966 2.2966 2.4387 2.4387 2.4729 2.4729 2.5401 2.5401 3.1779 3.1779 3.2881 3.2881 3.4327 3.4327 3.5488 3.5488 4.1582 4.1582 4.2600 4.2600 5.0156 5.0156 5.0621 5.0621 5.3295 5.3295 5.3722 5.3722 9.3580 9.3580 9.3698 9.3698 10.1983 10.1983 10.2074 10.2074 10.5808 10.5808 k = 0.5000 0.3925 0.4565 ( 5910 PWs) bands (ev): -7.0599 -7.0599 -7.0585 -7.0585 -6.5234 -6.5234 -6.5213 -6.5213 0.0366 0.0366 0.0465 0.0465 1.2695 1.2695 1.2888 1.2888 1.9601 1.9601 2.0446 2.0446 2.0962 2.0962 2.1566 2.1566 2.2956 2.2956 2.4467 2.4467 2.4749 2.4749 2.5438 2.5438 3.1839 3.1839 3.2882 3.2882 3.4233 3.4233 3.5341 3.5341 4.1463 4.1463 4.2404 4.2404 5.0021 5.0021 5.0504 5.0504 5.3269 5.3269 5.3675 5.3675 9.3679 9.3679 9.3807 9.3807 10.1523 10.1523 10.1615 10.1615 10.5596 10.5596 k = 0.5000 0.3925 0.4358 ( 5912 PWs) bands (ev): -7.0644 -7.0644 -7.0631 -7.0631 -6.5195 -6.5195 -6.5173 -6.5173 0.0419 0.0419 0.0523 0.0523 1.2828 1.2828 1.3036 1.3036 1.9568 1.9568 2.0445 2.0445 2.0940 2.0940 2.1566 2.1566 2.2967 2.2968 2.4523 2.4523 2.4793 2.4793 2.5485 2.5485 3.1901 3.1901 3.2883 3.2883 3.4145 3.4145 3.5190 3.5190 4.1379 4.1379 4.2231 4.2231 4.9883 4.9883 5.0388 5.0388 5.3242 5.3242 5.3626 5.3626 9.3726 9.3726 9.3864 9.3864 10.1073 10.1073 10.1166 10.1166 10.5391 10.5391 k = 0.5000 0.3925 0.4150 ( 5902 PWs) bands (ev): -7.0693 -7.0693 -7.0680 -7.0680 -6.5151 -6.5151 -6.5128 -6.5128 0.0463 0.0463 0.0572 0.0572 1.2972 1.2972 1.3196 1.3196 1.9524 1.9524 2.0413 2.0413 2.0918 2.0918 2.1554 2.1554 2.3004 2.3004 2.4549 2.4549 2.4867 2.4867 2.5543 2.5543 3.1961 3.1961 3.2884 3.2884 3.4062 3.4062 3.5036 3.5036 4.1334 4.1334 4.2087 4.2087 4.9744 4.9744 5.0272 5.0272 5.3212 5.3212 5.3574 5.3574 9.3715 9.3715 9.3861 9.3861 10.0648 10.0648 10.0739 10.0739 10.5201 10.5201 k = 0.5000 0.3925 0.3943 ( 5914 PWs) bands (ev): -7.0744 -7.0744 -7.0732 -7.0732 -6.5103 -6.5103 -6.5080 -6.5080 0.0499 0.0499 0.0611 0.0611 1.3125 1.3125 1.3365 1.3365 1.9469 1.9469 2.0353 2.0353 2.0894 2.0894 2.1522 2.1522 2.3065 2.3065 2.4556 2.4556 2.4959 2.4959 2.5614 2.5614 3.2014 3.2014 3.2884 3.2884 3.3981 3.3981 3.4882 3.4882 4.1327 4.1327 4.1979 4.1979 4.9602 4.9602 5.0157 5.0157 5.3178 5.3178 5.3520 5.3520 9.3645 9.3645 9.3795 9.3795 10.0250 10.0250 10.0336 10.0336 10.5034 10.5034 k = 0.5000 0.3925 0.3735 ( 5910 PWs) bands (ev): -7.0798 -7.0798 -7.0786 -7.0786 -6.5052 -6.5052 -6.5029 -6.5029 0.0525 0.0525 0.0640 0.0640 1.3287 1.3287 1.3542 1.3542 1.9409 1.9409 2.0274 2.0274 2.0868 2.0868 2.1469 2.1469 2.3146 2.3146 2.4553 2.4553 2.5055 2.5055 2.5700 2.5700 3.2054 3.2054 3.2889 3.2889 3.3898 3.3898 3.4735 3.4735 4.1356 4.1356 4.1917 4.1917 4.9460 4.9460 5.0044 5.0044 5.3137 5.3137 5.3462 5.3462 9.3519 9.3519 9.3670 9.3670 9.9881 9.9881 9.9958 9.9958 10.4897 10.4897 k = 0.5000 0.3925 0.3528 ( 5910 PWs) bands (ev): -7.0853 -7.0853 -7.0842 -7.0842 -6.4997 -6.4997 -6.4974 -6.4974 0.0543 0.0543 0.0659 0.0659 1.3455 1.3455 1.3725 1.3725 1.9345 1.9345 2.0182 2.0182 2.0834 2.0834 2.1398 2.1398 2.3240 2.3240 2.4545 2.4545 2.5150 2.5150 2.5803 2.5803 3.2072 3.2072 3.2904 3.2904 3.3802 3.3802 3.4606 3.4606 4.1414 4.1414 4.1907 4.1907 4.9318 4.9318 4.9933 4.9933 5.3087 5.3087 5.3400 5.3400 9.3344 9.3344 9.3491 9.3491 9.9532 9.9532 9.9599 9.9599 10.4793 10.4793 k = 0.5000 0.3925 0.3320 ( 5914 PWs) bands (ev): -7.0910 -7.0910 -7.0899 -7.0899 -6.4940 -6.4940 -6.4918 -6.4918 0.0552 0.0552 0.0669 0.0669 1.3629 1.3629 1.3913 1.3913 1.9280 1.9280 2.0085 2.0085 2.0792 2.0792 2.1312 2.1312 2.3339 2.3339 2.4534 2.4534 2.5239 2.5239 2.5922 2.5922 3.2061 3.2061 3.2934 3.2934 3.3681 3.3681 3.4508 3.4508 4.1496 4.1496 4.1957 4.1957 4.9178 4.9178 4.9825 4.9825 5.3026 5.3026 5.3333 5.3333 9.3133 9.3133 9.3272 9.3272 9.9196 9.9196 9.9256 9.9256 10.4722 10.4722 k = 0.5000 0.3925 0.3113 ( 5902 PWs) bands (ev): -7.0967 -7.0967 -7.0956 -7.0956 -6.4882 -6.4882 -6.4860 -6.4860 0.0553 0.0553 0.0670 0.0670 1.3806 1.3806 1.4102 1.4102 1.9219 1.9219 1.9987 1.9987 2.0741 2.0741 2.1214 2.1214 2.3435 2.3435 2.4522 2.4522 2.5324 2.5324 2.6055 2.6055 3.2019 3.2019 3.2982 3.2982 3.3533 3.3533 3.4447 3.4447 4.1598 4.1598 4.2066 4.2066 4.9042 4.9042 4.9722 4.9722 5.2952 5.2952 5.3261 5.3261 9.2899 9.2899 9.3027 9.3027 9.8863 9.8863 9.8922 9.8922 10.4679 10.4679 k = 0.5000 0.3925 0.2905 ( 5902 PWs) bands (ev): -7.1024 -7.1024 -7.1013 -7.1013 -6.4823 -6.4823 -6.4801 -6.4801 0.0547 0.0547 0.0662 0.0662 1.3985 1.3985 1.4291 1.4291 1.9162 1.9162 1.9891 1.9891 2.0682 2.0682 2.1108 2.1108 2.3520 2.3520 2.4508 2.4508 2.5409 2.5409 2.6199 2.6199 3.1948 3.1948 3.3040 3.3040 3.3367 3.3367 3.4420 3.4420 4.1720 4.1720 4.2227 4.2227 4.8910 4.8910 4.9626 4.9626 5.2862 5.2862 5.3183 5.3183 9.2654 9.2654 9.2769 9.2769 9.8527 9.8527 9.8594 9.8594 10.4658 10.4658 k = 0.5000 0.3925 0.2698 ( 5902 PWs) bands (ev): -7.1080 -7.1080 -7.1070 -7.1070 -6.4763 -6.4763 -6.4742 -6.4742 0.0535 0.0535 0.0648 0.0648 1.4163 1.4163 1.4477 1.4477 1.9113 1.9113 1.9802 1.9802 2.0615 2.0615 2.0998 2.0998 2.3590 2.3590 2.4489 2.4489 2.5499 2.5499 2.6348 2.6348 3.1853 3.1853 3.3042 3.3042 3.3255 3.3255 3.4418 3.4418 4.1867 4.1867 4.2427 4.2427 4.8785 4.8785 4.9538 4.9538 5.2756 5.2756 5.3096 5.3096 9.2413 9.2413 9.2513 9.2513 9.8187 9.8187 9.8268 9.8268 10.4649 10.4649 k = 0.5000 0.3925 0.2490 ( 5910 PWs) bands (ev): -7.1135 -7.1135 -7.1125 -7.1125 -6.4704 -6.4704 -6.4684 -6.4684 0.0518 0.0518 0.0626 0.0626 1.4338 1.4338 1.4657 1.4657 1.9073 1.9073 1.9721 1.9721 2.0542 2.0542 2.0888 2.0888 2.3639 2.3639 2.4463 2.4463 2.5597 2.5597 2.6501 2.6501 3.1740 3.1740 3.2887 3.2887 3.3301 3.3301 3.4433 3.4433 4.2039 4.2039 4.2655 4.2655 4.8670 4.8670 4.9462 4.9462 5.2634 5.2634 5.3000 5.3000 9.2184 9.2184 9.2272 9.2272 9.7842 9.7842 9.7939 9.7939 10.4641 10.4641 k = 0.5000 0.3925 0.2283 ( 5924 PWs) bands (ev): -7.1187 -7.1187 -7.1178 -7.1178 -6.4646 -6.4646 -6.4627 -6.4627 0.0497 0.0497 0.0600 0.0600 1.4509 1.4509 1.4828 1.4828 1.9044 1.9044 1.9649 1.9649 2.0462 2.0462 2.0781 2.0781 2.3670 2.3670 2.4428 2.4428 2.5707 2.5707 2.6651 2.6651 3.1616 3.1616 3.2683 3.2683 3.3400 3.3400 3.4458 3.4458 4.2237 4.2237 4.2900 4.2900 4.8569 4.8569 4.9400 4.9400 5.2494 5.2494 5.2892 5.2892 9.1977 9.1977 9.2055 9.2055 9.7495 9.7495 9.7608 9.7608 10.4626 10.4626 k = 0.5000 0.3925 0.2075 ( 5930 PWs) bands (ev): -7.1237 -7.1237 -7.1228 -7.1228 -6.4591 -6.4591 -6.4573 -6.4573 0.0472 0.0472 0.0570 0.0570 1.4673 1.4673 1.4987 1.4987 1.9026 1.9026 1.9589 1.9589 2.0378 2.0378 2.0682 2.0682 2.3682 2.3682 2.4382 2.4382 2.5830 2.5830 2.6797 2.6797 3.1485 3.1485 3.2474 3.2474 3.3514 3.3514 3.4488 3.4488 4.2454 4.2454 4.3153 4.3153 4.8484 4.8484 4.9354 4.9354 5.2338 5.2338 5.2771 5.2771 9.1798 9.1798 9.1871 9.1871 9.7146 9.7146 9.7274 9.7274 10.4594 10.4594 k = 0.5000 0.3925 0.1868 ( 5918 PWs) bands (ev): -7.1284 -7.1284 -7.1276 -7.1276 -6.4538 -6.4538 -6.4521 -6.4521 0.0447 0.0447 0.0537 0.0537 1.4828 1.4828 1.5133 1.5133 1.9021 1.9021 1.9540 1.9540 2.0291 2.0291 2.0592 2.0592 2.3680 2.3680 2.4325 2.4325 2.5964 2.5964 2.6934 2.6934 3.1354 3.1354 3.2267 3.2267 3.3633 3.3633 3.4520 3.4520 4.2686 4.2686 4.3404 4.3404 4.8420 4.8420 4.9326 4.9326 5.2167 5.2167 5.2637 5.2637 9.1652 9.1652 9.1725 9.1725 9.6797 9.6797 9.6939 9.6939 10.4538 10.4538 k = 0.5000 0.3925 0.1660 ( 5910 PWs) bands (ev): -7.1327 -7.1327 -7.1319 -7.1319 -6.4488 -6.4488 -6.4473 -6.4473 0.0421 0.0421 0.0503 0.0503 1.4973 1.4973 1.5263 1.5263 1.9027 1.9027 1.9503 1.9503 2.0203 2.0203 2.0513 2.0513 2.3668 2.3668 2.4257 2.4257 2.6107 2.6107 2.7058 2.7058 3.1226 3.1226 3.2067 3.2067 3.3753 3.3753 3.4550 3.4550 4.2927 4.2927 4.3643 4.3643 4.8381 4.8381 4.9318 4.9318 5.1982 5.1982 5.2489 5.2489 9.1542 9.1542 9.1620 9.1620 9.6452 9.6452 9.6604 9.6604 10.4454 10.4454 k = 0.5000 0.3925 0.1453 ( 5906 PWs) bands (ev): -7.1366 -7.1366 -7.1359 -7.1359 -6.4443 -6.4443 -6.4429 -6.4429 0.0395 0.0395 0.0469 0.0469 1.5106 1.5106 1.5375 1.5375 1.9042 1.9042 1.9476 1.9476 2.0119 2.0119 2.0444 2.0444 2.3650 2.3650 2.4180 2.4180 2.6256 2.6256 2.7165 2.7165 3.1107 3.1107 3.1877 3.1877 3.3872 3.3872 3.4577 3.4577 4.3168 4.3168 4.3862 4.3862 4.8373 4.8373 4.9329 4.9329 5.1787 5.1787 5.2327 5.2327 9.1471 9.1471 9.1556 9.1556 9.6114 9.6114 9.6272 9.6272 10.4343 10.4343 k = 0.5000 0.3925 0.1245 ( 5902 PWs) bands (ev): -7.1401 -7.1401 -7.1395 -7.1395 -6.4402 -6.4402 -6.4390 -6.4390 0.0371 0.0371 0.0436 0.0436 1.5226 1.5226 1.5469 1.5469 1.9064 1.9064 1.9457 1.9457 2.0046 2.0046 2.0383 2.0383 2.3629 2.3629 2.4097 2.4097 2.6407 2.6407 2.7252 2.7252 3.1004 3.1004 3.1698 3.1698 3.3987 3.3987 3.4597 3.4597 4.3402 4.3402 4.4054 4.4054 4.8400 4.8400 4.9358 4.9358 5.1587 5.1587 5.2153 5.2153 9.1439 9.1439 9.1530 9.1530 9.5787 9.5787 9.5948 9.5948 10.4210 10.4210 k = 0.5000 0.3925 0.1038 ( 5912 PWs) bands (ev): -7.1431 -7.1431 -7.1426 -7.1426 -6.4367 -6.4367 -6.4357 -6.4357 0.0350 0.0350 0.0405 0.0405 1.5332 1.5332 1.5544 1.5544 1.9090 1.9090 1.9440 1.9440 1.9990 1.9990 2.0328 2.0328 2.3610 2.3610 2.4012 2.4012 2.6558 2.6558 2.7314 2.7314 3.0920 3.0920 3.1530 3.1530 3.4096 3.4096 3.4608 3.4608 4.3623 4.3623 4.4209 4.4209 4.8464 4.8464 4.9398 4.9398 5.1391 5.1391 5.1968 5.1968 9.1443 9.1443 9.1538 9.1538 9.5479 9.5479 9.5636 9.5636 10.4065 10.4065 k = 0.5000 0.3925 0.0830 ( 5912 PWs) bands (ev): -7.1456 -7.1455 -7.1451 -7.1451 -6.4337 -6.4337 -6.4329 -6.4329 0.0333 0.0333 0.0377 0.0377 1.5424 1.5424 1.5600 1.5600 1.9120 1.9120 1.9419 1.9419 1.9959 1.9959 2.0276 2.0276 2.3597 2.3597 2.3927 2.3927 2.6705 2.6705 2.7348 2.7348 3.0862 3.0862 3.1376 3.1376 3.4198 3.4198 3.4610 3.4610 4.3826 4.3826 4.4323 4.4324 4.8566 4.8566 4.9436 4.9436 5.1214 5.1214 5.1778 5.1778 9.1477 9.1477 9.1571 9.1571 9.5199 9.5199 9.5345 9.5345 10.3921 10.3921 k = 0.5000 0.3925 0.0623 ( 5908 PWs) bands (ev): -7.1475 -7.1475 -7.1472 -7.1472 -6.4313 -6.4313 -6.4307 -6.4307 0.0320 0.0320 0.0354 0.0354 1.5501 1.5501 1.5637 1.5637 1.9152 1.9152 1.9390 1.9390 1.9956 1.9956 2.0225 2.0225 2.3594 2.3594 2.3847 2.3847 2.6846 2.6846 2.7353 2.7353 3.0833 3.0833 3.1236 3.1236 3.4291 3.4291 3.4602 3.4602 4.4004 4.4004 4.4395 4.4395 4.8701 4.8701 4.9453 4.9453 5.1077 5.1077 5.1585 5.1585 9.1532 9.1532 9.1617 9.1617 9.4960 9.4960 9.5085 9.5085 10.3794 10.3794 k = 0.5000 0.3925 0.0415 ( 5904 PWs) bands (ev): -7.1489 -7.1489 -7.1486 -7.1486 -6.4296 -6.4295 -6.4291 -6.4291 0.0312 0.0312 0.0334 0.0334 1.5564 1.5564 1.5656 1.5656 1.9187 1.9187 1.9352 1.9352 1.9978 1.9978 2.0173 2.0173 2.3602 2.3602 2.3774 2.3774 2.6978 2.6978 2.7328 2.7328 3.0834 3.0834 3.1112 3.1112 3.4373 3.4373 3.4581 3.4581 4.4155 4.4155 4.4424 4.4424 4.8862 4.8862 4.9426 4.9426 5.1006 5.1006 5.1400 5.1400 9.1596 9.1596 9.1661 9.1661 9.4780 9.4780 9.4873 9.4873 10.3695 10.3695 k = 0.5000 0.3925 0.0208 ( 5902 PWs) bands (ev): -7.1497 -7.1497 -7.1496 -7.1496 -6.4284 -6.4284 -6.4282 -6.4282 0.0309 0.0309 0.0321 0.0321 1.5611 1.5611 1.5657 1.5657 1.9226 1.9226 1.9310 1.9310 2.0018 2.0018 2.0120 2.0120 2.3624 2.3624 2.3711 2.3711 2.7096 2.7096 2.7275 2.7275 3.0865 3.0865 3.1007 3.1007 3.4444 3.4444 3.4548 3.4548 4.4275 4.4275 4.4412 4.4412 4.9035 4.9035 4.9339 4.9339 5.1014 5.1014 5.1231 5.1231 9.1652 9.1652 9.1688 9.1688 9.4674 9.4674 9.4724 9.4724 10.3635 10.3635 k = 0.5000 0.3925-0.0000 ( 5900 PWs) bands (ev): -7.1499 -7.1499 -7.1499 -7.1499 -6.4280 -6.4280 -6.4280 -6.4280 0.0312 0.0312 0.0312 0.0312 1.5642 1.5642 1.5642 1.5642 1.9267 1.9267 1.9267 1.9267 2.0067 2.0067 2.0067 2.0067 2.3660 2.3660 2.3661 2.3661 2.7196 2.7196 2.7196 2.7196 3.0923 3.0923 3.0923 3.0923 3.4502 3.4502 3.4502 3.4502 4.4361 4.4361 4.4361 4.4361 4.9202 4.9202 4.9202 4.9202 5.1096 5.1096 5.1096 5.1096 9.1686 9.1686 9.1686 9.1686 9.4655 9.4655 9.4655 9.4655 10.3620 10.3620 k = 0.0000 0.0000 0.8098 ( 5908 PWs) bands (ev): -7.0325 -7.0325 -7.0300 -7.0300 -6.5377 -6.5377 -6.5371 -6.5371 -0.0663 -0.0663 -0.0657 -0.0657 1.1805 1.1805 1.1982 1.1982 1.9042 1.9042 1.9156 1.9156 2.0947 2.0947 2.1592 2.1592 2.3106 2.3106 2.3690 2.3690 2.4594 2.4594 2.5493 2.5493 3.1463 3.1463 3.3034 3.3034 3.5701 3.5701 3.7159 3.7159 4.4059 4.4059 4.4334 4.4334 5.1785 5.1785 5.2205 5.2205 5.3902 5.3902 5.4027 5.4027 9.1228 9.1228 9.1253 9.1253 10.1344 10.1344 10.1471 10.1471 11.0725 11.0725 k = 0.0156 0.0123 0.8098 ( 5900 PWs) bands (ev): -7.0326 -7.0324 -7.0300 -7.0299 -6.5378 -6.5377 -6.5373 -6.5370 -0.0662 -0.0655 -0.0655 -0.0650 1.1774 1.1806 1.1946 1.1983 1.8985 1.9105 1.9150 1.9163 2.0936 2.0968 2.1578 2.1606 2.3051 2.3169 2.3642 2.3749 2.4597 2.4606 2.5466 2.5528 3.1378 3.1542 3.2986 3.3068 3.5665 3.5745 3.7159 3.7167 4.4050 4.4092 4.4297 4.4392 5.1727 5.1811 5.2166 5.2219 5.3847 5.3952 5.3970 5.4073 9.1252 9.1254 9.1278 9.1279 10.1326 10.1327 10.1452 10.1453 11.0717 11.0720 k = 0.0312 0.0245 0.8098 ( 5904 PWs) bands (ev): -7.0328 -7.0322 -7.0301 -7.0299 -6.5379 -6.5376 -6.5375 -6.5369 -0.0652 -0.0643 -0.0639 -0.0634 1.1716 1.1777 1.1878 1.1949 1.8936 1.9147 1.9170 1.9171 2.0939 2.0998 2.1566 2.1617 2.3006 2.3242 2.3599 2.3819 2.4615 2.4636 2.5447 2.5569 3.1290 3.1613 3.2922 3.3089 3.5636 3.5799 3.7166 3.7180 4.4064 4.4148 4.4279 4.4468 5.1639 5.1803 5.2103 5.2206 5.3788 5.3904 5.3995 5.4107 9.1325 9.1331 9.1352 9.1355 10.1272 10.1274 10.1396 10.1398 11.0699 11.0705 k = 0.0469 0.0368 0.8098 ( 5920 PWs) bands (ev): -7.0329 -7.0320 -7.0301 -7.0298 -6.5381 -6.5376 -6.5376 -6.5368 -0.0633 -0.0622 -0.0613 -0.0609 1.1632 1.1721 1.1781 1.1883 1.8899 1.9145 1.9182 1.9232 2.0958 2.1034 2.1558 2.1624 2.2969 2.3323 2.3557 2.3898 2.4649 2.4685 2.5436 2.5617 3.1200 3.1676 3.2841 3.3100 3.5611 3.5864 3.7182 3.7197 4.4101 4.4227 4.4282 4.4563 5.1520 5.1761 5.2016 5.2163 5.3727 5.3832 5.4031 5.4129 9.1448 9.1456 9.1475 9.1480 10.1182 10.1184 10.1302 10.1304 11.0674 11.0683 k = 0.0625 0.0491 0.8098 ( 5926 PWs) bands (ev): -7.0329 -7.0318 -7.0301 -7.0298 -6.5382 -6.5378 -6.5376 -6.5367 -0.0606 -0.0592 -0.0580 -0.0575 1.1526 1.1641 1.1658 1.1787 1.8873 1.9143 1.9194 1.9288 2.0992 2.1073 2.1558 2.1627 2.2940 2.3410 2.3514 2.3983 2.4700 2.4753 2.5435 2.5671 3.1110 3.1728 3.2745 3.3104 3.5589 3.5939 3.7206 3.7217 4.4162 4.4307 4.4328 4.4676 5.1373 5.1684 5.1907 5.2089 5.3668 5.3759 5.4061 5.4142 9.1619 9.1628 9.1646 9.1652 10.1054 10.1057 10.1168 10.1171 11.0648 11.0659 k = 0.0781 0.0613 0.8098 ( 5922 PWs) bands (ev): -7.0330 -7.0316 -7.0301 -7.0297 -6.5384 -6.5381 -6.5376 -6.5367 -0.0572 -0.0556 -0.0541 -0.0535 1.1403 1.1516 1.1538 1.1666 1.8858 1.9142 1.9207 1.9336 2.1040 2.1115 2.1566 2.1624 2.2918 2.3466 2.3502 2.4064 2.4774 2.4838 2.5443 2.5731 3.1025 3.1770 3.2634 3.3103 3.5568 3.6023 3.7236 3.7238 4.4245 4.4352 4.4449 4.4807 5.1200 5.1573 5.1776 5.1980 5.3613 5.3689 5.4086 5.4146 9.1835 9.1846 9.1862 9.1869 10.0887 10.0890 10.0995 10.0997 11.0628 11.0641 k = 0.0938 0.0736 0.8098 ( 5922 PWs) bands (ev): -7.0330 -7.0314 -7.0301 -7.0296 -6.5385 -6.5383 -6.5376 -6.5366 -0.0533 -0.0513 -0.0495 -0.0488 1.1268 1.1360 1.1420 1.1526 1.8853 1.9140 1.9220 1.9373 2.1099 2.1155 2.1581 2.1616 2.2902 2.3413 2.3595 2.4134 2.4873 2.4937 2.5462 2.5796 3.0945 3.1801 3.2508 3.3099 3.5545 3.6115 3.7254 3.7276 4.4349 4.4419 4.4591 4.4954 5.1002 5.1429 5.1625 5.1837 5.3565 5.3627 5.4107 5.4145 9.2093 9.2105 9.2120 9.2129 10.0681 10.0682 10.0780 10.0782 11.0620 11.0636 k = 0.1094 0.0859 0.8098 ( 5928 PWs) bands (ev): -7.0331 -7.0312 -7.0301 -7.0296 -6.5387 -6.5385 -6.5377 -6.5366 -0.0488 -0.0465 -0.0446 -0.0437 1.1125 1.1196 1.1290 1.1373 1.8856 1.9138 1.9232 1.9401 2.1167 2.1195 2.1605 2.1606 2.2891 2.3354 2.3686 2.4187 2.4995 2.5047 2.5491 2.5864 3.0873 3.1821 3.2371 3.3094 3.5519 3.6212 3.7268 3.7320 4.4472 4.4506 4.4752 4.5116 5.0783 5.1255 5.1455 5.1661 5.3523 5.3573 5.4124 5.4139 9.2391 9.2404 9.2418 9.2427 10.0434 10.0434 10.0524 10.0526 11.0631 11.0649 k = 0.1250 0.0981 0.8098 ( 5932 PWs) bands (ev): -7.0331 -7.0309 -7.0301 -7.0295 -6.5389 -6.5387 -6.5377 -6.5366 -0.0442 -0.0414 -0.0394 -0.0383 1.0981 1.1030 1.1155 1.1213 1.8867 1.9134 1.9244 1.9421 2.1233 2.1237 2.1592 2.1636 2.2883 2.3292 2.3773 2.4222 2.5134 2.5162 2.5532 2.5934 3.0813 3.1833 3.2223 3.3088 3.5491 3.6314 3.7277 3.7366 4.4610 4.4614 4.4928 4.5290 5.0547 5.1057 5.1272 5.1457 5.3489 5.3529 5.4131 5.4138 9.2725 9.2738 9.2751 9.2760 10.0147 10.0149 10.0230 10.0230 11.0663 11.0686 k = 0.1406 0.1104 0.8098 ( 5932 PWs) bands (ev): -7.0331 -7.0307 -7.0300 -7.0294 -6.5390 -6.5389 -6.5378 -6.5366 -0.0394 -0.0362 -0.0342 -0.0329 1.0841 1.0868 1.1020 1.1052 1.8882 1.9128 1.9255 1.9435 2.1268 2.1307 2.1577 2.1673 2.2878 2.3227 2.3854 2.4244 2.5278 2.5280 2.5582 2.6005 3.0766 3.1836 3.2067 3.3085 3.5461 3.6418 3.7280 3.7413 4.4739 4.4760 4.5119 4.5474 5.0299 5.0842 5.1079 5.1230 5.3462 5.3494 5.4122 5.4150 9.3089 9.3102 9.3115 9.3124 9.9824 9.9828 9.9898 9.9899 11.0721 11.0745 k = 0.1562 0.1227 0.8098 ( 5932 PWs) bands (ev): -7.0331 -7.0305 -7.0300 -7.0294 -6.5392 -6.5391 -6.5378 -6.5366 -0.0347 -0.0311 -0.0292 -0.0276 1.0709 1.0714 1.0889 1.0896 1.8901 1.9121 1.9264 1.9443 2.1301 2.1374 2.1561 2.1714 2.2875 2.3162 2.3925 2.4255 2.5390 2.5425 2.5639 2.6074 3.0737 3.1833 3.1907 3.3082 3.5430 3.6521 3.7275 3.7459 4.4877 4.4916 4.5320 4.5661 5.0047 5.0619 5.0882 5.0988 5.3441 5.3466 5.4114 5.4160 9.3478 9.3491 9.3504 9.3512 9.9469 9.9475 9.9535 9.9536 11.0801 11.0816 k = 0.1719 0.1349 0.8098 ( 5920 PWs) bands (ev): -7.0331 -7.0303 -7.0300 -7.0294 -6.5393 -6.5392 -6.5379 -6.5366 -0.0303 -0.0263 -0.0245 -0.0226 1.0575 1.0592 1.0751 1.0770 1.8923 1.9112 1.9272 1.9448 2.1331 2.1433 2.1544 2.1757 2.2874 2.3099 2.3988 2.4257 2.5494 2.5560 2.5700 2.6138 3.0727 3.1745 3.1826 3.3082 3.5399 3.6623 3.7261 3.7501 4.5024 4.5072 4.5526 4.5844 4.9799 5.0398 5.0690 5.0741 5.3425 5.3445 5.4105 5.4168 9.3886 9.3898 9.3912 9.3918 9.9089 9.9098 9.9146 9.9149 11.0903 11.0906 k = 0.1875 0.1472 0.8098 ( 5916 PWs) bands (ev): -7.0331 -7.0301 -7.0300 -7.0294 -6.5394 -6.5394 -6.5379 -6.5367 -0.0264 -0.0219 -0.0204 -0.0182 1.0454 1.0492 1.0622 1.0665 1.8946 1.9101 1.9279 1.9451 2.1359 2.1484 2.1526 2.1798 2.2873 2.3041 2.4042 2.4252 2.5585 2.5677 2.5761 2.6194 3.0738 3.1583 3.1816 3.3083 3.5370 3.6720 3.7238 3.7538 4.5171 4.5219 4.5730 4.6015 4.9565 5.0194 5.0498 5.0511 5.3413 5.3428 5.4098 5.4174 9.4303 9.4314 9.4329 9.4333 9.8694 9.8705 9.8743 9.8748 11.1013 11.1014 k = 0.2031 0.1595 0.8098 ( 5916 PWs) bands (ev): -7.0331 -7.0300 -7.0299 -7.0294 -6.5395 -6.5395 -6.5380 -6.5367 -0.0231 -0.0182 -0.0170 -0.0145 1.0356 1.0414 1.0513 1.0579 1.8969 1.9088 1.9284 1.9452 2.1385 2.1508 2.1525 2.1837 2.2872 2.2990 2.4088 2.4242 2.5660 2.5772 2.5817 2.6241 3.0773 3.1426 3.1806 3.3085 3.5344 3.6813 3.7205 3.7568 4.5308 4.5350 4.5922 4.6160 4.9359 5.0020 5.0271 5.0355 5.3405 5.3416 5.4093 5.4180 9.4713 9.4725 9.4740 9.4741 9.8300 9.8312 9.8340 9.8348 11.1122 11.1126 k = 0.2188 0.1717 0.8098 ( 5914 PWs) bands (ev): -7.0331 -7.0299 -7.0298 -7.0294 -6.5396 -6.5396 -6.5380 -6.5367 -0.0207 -0.0154 -0.0146 -0.0117 1.0283 1.0361 1.0428 1.0515 1.8992 1.9072 1.9288 1.9453 2.1408 2.1490 2.1554 2.1867 2.2872 2.2950 2.4126 2.4228 2.5716 2.5841 2.5862 2.6276 3.0831 3.1276 3.1798 3.3087 3.5325 3.6900 3.7163 3.7591 4.5421 4.5452 4.6090 4.6263 4.9195 4.9894 5.0076 5.0233 5.3400 5.3408 5.4089 5.4183 9.5091 9.5104 9.5118 9.5118 9.7933 9.7947 9.7964 9.7977 11.1223 11.1225 k = 0.2344 0.1840 0.8098 ( 5930 PWs) bands (ev): -7.0331 -7.0299 -7.0297 -7.0295 -6.5396 -6.5396 -6.5380 -6.5367 -0.0192 -0.0136 -0.0132 -0.0100 1.0238 1.0335 1.0369 1.0476 1.9014 1.9054 1.9290 1.9453 2.1430 2.1471 2.1572 2.1887 2.2872 2.2924 2.4158 2.4209 2.5750 2.5883 2.5891 2.6298 3.0913 3.1138 3.1792 3.3088 3.5312 3.6979 3.7111 3.7605 4.5497 4.5519 4.6220 4.6312 4.9087 4.9832 4.9929 5.0155 5.3398 5.3402 5.4086 5.4185 9.5383 9.5400 9.5409 9.5410 9.7650 9.7661 9.7668 9.7689 11.1290 11.1293 k = 0.2500 0.1962 0.8098 ( 5932 PWs) bands (ev): -7.0331 -7.0299 -7.0296 -7.0296 -6.5396 -6.5396 -6.5380 -6.5367 -0.0186 -0.0128 -0.0128 -0.0095 1.0223 1.0338 1.0338 1.0462 1.9035 1.9035 1.9290 1.9453 2.1451 2.1451 2.1578 2.1894 2.2872 2.2915 2.4186 2.4186 2.5762 2.5899 2.5899 2.6305 3.1016 3.1016 3.1790 3.3088 3.5308 3.7049 3.7049 3.7609 4.5524 4.5542 4.6298 4.6298 4.9050 4.9844 4.9844 5.0128 5.3399 5.3399 5.4085 5.4186 9.5500 9.5524 9.5524 9.5526 9.7542 9.7542 9.7546 9.7573 11.1316 11.1316 Writing output data file AlAgS2.save init_run : 3.00s CPU 12.52s WALL ( 1 calls) electrons : 1530.42s CPU 1541.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.23s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 1530.34s CPU 1540.89s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.98s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.03s CPU 0.62s WALL ( 1 calls) newd : 0.63s CPU 0.94s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.17s WALL ( 281 calls) cegterg : 1437.08s CPU 1443.95s WALL ( 875 calls) Called by sum_band: Called by *egterg: h_psi : 715.89s CPU 726.52s WALL ( 16439 calls) s_psi : 92.04s CPU 92.63s WALL ( 16439 calls) g_psi : 1.11s CPU 1.21s WALL ( 15283 calls) cdiaghg : 488.52s CPU 485.33s WALL ( 15564 calls) cegterg:over : 93.28s CPU 88.54s WALL ( 15283 calls) cegterg:upda : 26.58s CPU 31.29s WALL ( 15283 calls) cegterg:last : 19.46s CPU 20.20s WALL ( 2004 calls) Called by h_psi: h_psi:vloc : 548.17s CPU 556.44s WALL ( 16439 calls) h_psi:vnl : 167.03s CPU 168.73s WALL ( 16439 calls) add_vuspsi : 69.29s CPU 74.26s WALL ( 16439 calls) General routines calbec : 97.64s CPU 94.31s WALL ( 16439 calls) fft : 0.36s CPU 1.40s WALL ( 15 calls) fftw : 525.06s CPU 531.98s WALL ( 1465392 calls) davcio : 0.03s CPU 2.52s WALL ( 562 calls) Parallel routines fft_scatter : 297.27s CPU 299.57s WALL ( 1465407 calls) PWSCF : 26m39.69s CPU 29m34.84s WALL This run was terminated on: 7:20:44 8Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=