Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:20:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxBCx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 72 40 11 2003 835 129 Max 73 41 12 2006 858 133 Sum 2609 1465 425 72153 30403 4725 bravais-lattice index = 14 lattice parameter (alat) = 10.0322 a.u. unit-cell volume = 722.4189 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.032218 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.487781 celldm(5)= -0.487781 celldm(6)= -0.024439 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.024439 0.999701 0.000000 ) a(3) = ( -0.487781 -0.499851 0.715695 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.024446 0.698622 ) b(2) = ( 0.000000 1.000299 0.698622 ) b(3) = ( 0.000000 0.000000 1.397243 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5122193 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4998507 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.5122193 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4998507 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 321 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 2) = ( 0.0000000 0.0000000 0.0166338), wk = 0.0031153 k( 3) = ( 0.0000000 0.0000000 0.0332677), wk = 0.0031153 k( 4) = ( 0.0000000 0.0000000 0.0499016), wk = 0.0031153 k( 5) = ( 0.0000000 0.0000000 0.0665354), wk = 0.0031153 k( 6) = ( 0.0000000 0.0000000 0.0831692), wk = 0.0031153 k( 7) = ( 0.0000000 0.0000000 0.0998031), wk = 0.0031153 k( 8) = ( 0.0000000 0.0000000 0.1164369), wk = 0.0031153 k( 9) = ( 0.0000000 0.0000000 0.1330708), wk = 0.0031153 k( 10) = ( 0.0000000 0.0000000 0.1497046), wk = 0.0031153 k( 11) = ( 0.0000000 0.0000000 0.1663385), wk = 0.0031153 k( 12) = ( 0.0000000 0.0000000 0.1829723), wk = 0.0031153 k( 13) = ( 0.0000000 0.0000000 0.1996062), wk = 0.0031153 k( 14) = ( 0.0000000 0.0000000 0.2162400), wk = 0.0031153 k( 15) = ( 0.0000000 0.0000000 0.2328739), wk = 0.0031153 k( 16) = ( 0.0000000 0.0000000 0.2495077), wk = 0.0031153 k( 17) = ( 0.0000000 0.0000000 0.2661416), wk = 0.0031153 k( 18) = ( 0.0000000 0.0000000 0.2827754), wk = 0.0031153 k( 19) = ( 0.0000000 0.0000000 0.2994093), wk = 0.0031153 k( 20) = ( 0.0000000 0.0000000 0.3160431), wk = 0.0031153 k( 21) = ( 0.0000000 0.0000000 0.3326770), wk = 0.0031153 k( 22) = ( 0.0000000 0.0000000 0.3493108), wk = 0.0031153 k( 23) = ( 0.0000000 0.0000000 0.3659447), wk = 0.0031153 k( 24) = ( 0.0000000 0.0000000 0.3825785), wk = 0.0031153 k( 25) = ( 0.0000000 0.0000000 0.3992124), wk = 0.0031153 k( 26) = ( 0.0000000 0.0000000 0.4158462), wk = 0.0031153 k( 27) = ( 0.0000000 0.0000000 0.4324801), wk = 0.0031153 k( 28) = ( 0.0000000 0.0000000 0.4491139), wk = 0.0031153 k( 29) = ( 0.0000000 0.0000000 0.4657478), wk = 0.0031153 k( 30) = ( 0.0000000 0.0000000 0.4823816), wk = 0.0031153 k( 31) = ( 0.0000000 0.0000000 0.4990155), wk = 0.0031153 k( 32) = ( 0.0000000 0.0000000 0.5156493), wk = 0.0031153 k( 33) = ( 0.0000000 0.0000000 0.5322832), wk = 0.0031153 k( 34) = ( 0.0000000 0.0000000 0.5489170), wk = 0.0031153 k( 35) = ( 0.0000000 0.0000000 0.5655509), wk = 0.0031153 k( 36) = ( 0.0000000 0.0000000 0.5821847), wk = 0.0031153 k( 37) = ( 0.0000000 0.0000000 0.5988186), wk = 0.0031153 k( 38) = ( 0.0000000 0.0000000 0.6154524), wk = 0.0031153 k( 39) = ( 0.0000000 0.0000000 0.6320863), wk = 0.0031153 k( 40) = ( 0.0000000 0.0000000 0.6487201), wk = 0.0031153 k( 41) = ( 0.0000000 0.0000000 0.6653540), wk = 0.0031153 k( 42) = ( 0.0000000 0.0000000 0.6819878), wk = 0.0031153 k( 43) = ( 0.0000000 0.0000000 0.6986217), wk = 0.0031153 k( 44) = ( 0.0000000 0.0000000 0.6986217), wk = 0.0031153 k( 45) = ( -0.0119330 0.0116448 0.6986217), wk = 0.0031153 k( 46) = ( -0.0238659 0.0232896 0.6986217), wk = 0.0031153 k( 47) = ( -0.0357989 0.0349345 0.6986217), wk = 0.0031153 k( 48) = ( -0.0477319 0.0465793 0.6986217), wk = 0.0031153 k( 49) = ( -0.0596649 0.0582241 0.6986217), wk = 0.0031153 k( 50) = ( -0.0715978 0.0698689 0.6986217), wk = 0.0031153 k( 51) = ( -0.0835308 0.0815138 0.6986217), wk = 0.0031153 k( 52) = ( -0.0954638 0.0931586 0.6986217), wk = 0.0031153 k( 53) = ( -0.1073967 0.1048034 0.6986217), wk = 0.0031153 k( 54) = ( -0.1193297 0.1164483 0.6986217), wk = 0.0031153 k( 55) = ( -0.1312627 0.1280931 0.6986217), wk = 0.0031153 k( 56) = ( -0.1431957 0.1397379 0.6986217), wk = 0.0031153 k( 57) = ( -0.1551286 0.1513827 0.6986217), wk = 0.0031153 k( 58) = ( -0.1670616 0.1630276 0.6986217), wk = 0.0031153 k( 59) = ( -0.1789946 0.1746724 0.6986217), wk = 0.0031153 k( 60) = ( -0.1909276 0.1863172 0.6986217), wk = 0.0031153 k( 61) = ( -0.2028605 0.1979620 0.6986217), wk = 0.0031153 k( 62) = ( -0.2147935 0.2096069 0.6986217), wk = 0.0031153 k( 63) = ( -0.2267265 0.2212517 0.6986217), wk = 0.0031153 k( 64) = ( -0.2386594 0.2328965 0.6986217), wk = 0.0031153 k( 65) = ( -0.2505924 0.2445413 0.6986217), wk = 0.0031153 k( 66) = ( -0.2625254 0.2561862 0.6986217), wk = 0.0031153 k( 67) = ( -0.2625254 0.2561862 0.6986217), wk = 0.0031153 k( 68) = ( -0.2710066 0.2644626 0.6867713), wk = 0.0031153 k( 69) = ( -0.2794879 0.2727390 0.6749210), wk = 0.0031153 k( 70) = ( -0.2879691 0.2810155 0.6630706), wk = 0.0031153 k( 71) = ( -0.2964503 0.2892919 0.6512202), wk = 0.0031153 k( 72) = ( -0.3049316 0.2975684 0.6393699), wk = 0.0031153 k( 73) = ( -0.3134128 0.3058448 0.6275195), wk = 0.0031153 k( 74) = ( -0.3218940 0.3141212 0.6156692), wk = 0.0031153 k( 75) = ( -0.3303753 0.3223977 0.6038188), wk = 0.0031153 k( 76) = ( -0.3388565 0.3306741 0.5919685), wk = 0.0031153 k( 77) = ( -0.3473378 0.3389505 0.5801182), wk = 0.0031153 k( 78) = ( -0.3558190 0.3472270 0.5682678), wk = 0.0031153 k( 79) = ( -0.3643002 0.3555034 0.5564174), wk = 0.0031153 k( 80) = ( -0.3727815 0.3637799 0.5445671), wk = 0.0031153 k( 81) = ( -0.3812627 0.3720563 0.5327167), wk = 0.0031153 k( 82) = ( -0.3812627 0.3720563 0.5327167), wk = 0.0031153 k( 83) = ( -0.3727902 0.3637884 0.5208786), wk = 0.0031153 k( 84) = ( -0.3643177 0.3555205 0.5090404), wk = 0.0031153 k( 85) = ( -0.3558452 0.3472525 0.4972023), wk = 0.0031153 k( 86) = ( -0.3473727 0.3389846 0.4853642), wk = 0.0031153 k( 87) = ( -0.3389002 0.3307167 0.4735260), wk = 0.0031153 k( 88) = ( -0.3304277 0.3224488 0.4616879), wk = 0.0031153 k( 89) = ( -0.3219552 0.3141809 0.4498497), wk = 0.0031153 k( 90) = ( -0.3134827 0.3059130 0.4380115), wk = 0.0031153 k( 91) = ( -0.3050101 0.2976450 0.4261734), wk = 0.0031153 k( 92) = ( -0.2965376 0.2893771 0.4143352), wk = 0.0031153 k( 93) = ( -0.2880651 0.2811092 0.4024971), wk = 0.0031153 k( 94) = ( -0.2795926 0.2728413 0.3906589), wk = 0.0031153 k( 95) = ( -0.2711201 0.2645734 0.3788208), wk = 0.0031153 k( 96) = ( -0.2626476 0.2563054 0.3669826), wk = 0.0031153 k( 97) = ( -0.2541751 0.2480375 0.3551445), wk = 0.0031153 k( 98) = ( -0.2457026 0.2397696 0.3433063), wk = 0.0031153 k( 99) = ( -0.2372301 0.2315017 0.3314682), wk = 0.0031153 k( 100) = ( -0.2287576 0.2232338 0.3196301), wk = 0.0031153 k( 101) = ( -0.2202851 0.2149659 0.3077919), wk = 0.0031153 k( 102) = ( -0.2118126 0.2066979 0.2959538), wk = 0.0031153 k( 103) = ( -0.2033401 0.1984300 0.2841156), wk = 0.0031153 k( 104) = ( -0.1948676 0.1901621 0.2722775), wk = 0.0031153 k( 105) = ( -0.1863951 0.1818942 0.2604393), wk = 0.0031153 k( 106) = ( -0.1779226 0.1736263 0.2486011), wk = 0.0031153 k( 107) = ( -0.1694501 0.1653584 0.2367630), wk = 0.0031153 k( 108) = ( -0.1609776 0.1570904 0.2249248), wk = 0.0031153 k( 109) = ( -0.1525051 0.1488225 0.2130867), wk = 0.0031153 k( 110) = ( -0.1440326 0.1405546 0.2012485), wk = 0.0031153 k( 111) = ( -0.1355601 0.1322867 0.1894104), wk = 0.0031153 k( 112) = ( -0.1270876 0.1240188 0.1775722), wk = 0.0031153 k( 113) = ( -0.1186151 0.1157508 0.1657341), wk = 0.0031153 k( 114) = ( -0.1101426 0.1074829 0.1538960), wk = 0.0031153 k( 115) = ( -0.1016700 0.0992150 0.1420578), wk = 0.0031153 k( 116) = ( -0.0931976 0.0909471 0.1302197), wk = 0.0031153 k( 117) = ( -0.0847250 0.0826792 0.1183815), wk = 0.0031153 k( 118) = ( -0.0762525 0.0744113 0.1065434), wk = 0.0031153 k( 119) = ( -0.0677800 0.0661433 0.0947052), wk = 0.0031153 k( 120) = ( -0.0593075 0.0578754 0.0828670), wk = 0.0031153 k( 121) = ( -0.0508350 0.0496075 0.0710289), wk = 0.0031153 k( 122) = ( -0.0423625 0.0413396 0.0591907), wk = 0.0031153 k( 123) = ( -0.0338900 0.0330717 0.0473526), wk = 0.0031153 k( 124) = ( -0.0254175 0.0248038 0.0355144), wk = 0.0031153 k( 125) = ( -0.0169450 0.0165358 0.0236763), wk = 0.0031153 k( 126) = ( -0.0084725 0.0082679 0.0118381), wk = 0.0031153 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 129) = ( 0.0116279 0.0119156 -0.0000000), wk = 0.0031153 k( 130) = ( 0.0232558 0.0238313 0.0000000), wk = 0.0031153 k( 131) = ( 0.0348837 0.0357469 -0.0000000), wk = 0.0031153 k( 132) = ( 0.0465116 0.0476625 0.0000000), wk = 0.0031153 k( 133) = ( 0.0581395 0.0595782 -0.0000000), wk = 0.0031153 k( 134) = ( 0.0697674 0.0714938 -0.0000000), wk = 0.0031153 k( 135) = ( 0.0813954 0.0834094 -0.0000000), wk = 0.0031153 k( 136) = ( 0.0930233 0.0953251 0.0000000), wk = 0.0031153 k( 137) = ( 0.1046512 0.1072407 0.0000000), wk = 0.0031153 k( 138) = ( 0.1162791 0.1191564 0.0000000), wk = 0.0031153 k( 139) = ( 0.1279070 0.1310720 -0.0000000), wk = 0.0031153 k( 140) = ( 0.1395349 0.1429876 -0.0000000), wk = 0.0031153 k( 141) = ( 0.1511628 0.1549033 -0.0000000), wk = 0.0031153 k( 142) = ( 0.1627907 0.1668189 -0.0000000), wk = 0.0031153 k( 143) = ( 0.1744186 0.1787345 -0.0000000), wk = 0.0031153 k( 144) = ( 0.1860465 0.1906502 -0.0000000), wk = 0.0031153 k( 145) = ( 0.1976744 0.2025658 0.0000000), wk = 0.0031153 k( 146) = ( 0.2093023 0.2144814 -0.0000000), wk = 0.0031153 k( 147) = ( 0.2209302 0.2263971 0.0000000), wk = 0.0031153 k( 148) = ( 0.2325581 0.2383127 0.0000000), wk = 0.0031153 k( 149) = ( 0.2441860 0.2502283 -0.0000000), wk = 0.0031153 k( 150) = ( 0.2558140 0.2621440 0.0000000), wk = 0.0031153 k( 151) = ( 0.2674419 0.2740596 0.0000000), wk = 0.0031153 k( 152) = ( 0.2790698 0.2859752 -0.0000000), wk = 0.0031153 k( 153) = ( 0.2906977 0.2978909 0.0000000), wk = 0.0031153 k( 154) = ( 0.3023256 0.3098065 -0.0000000), wk = 0.0031153 k( 155) = ( 0.3139535 0.3217222 0.0000000), wk = 0.0031153 k( 156) = ( 0.3255814 0.3336378 -0.0000000), wk = 0.0031153 k( 157) = ( 0.3372093 0.3455534 -0.0000000), wk = 0.0031153 k( 158) = ( 0.3488372 0.3574691 0.0000000), wk = 0.0031153 k( 159) = ( 0.3604651 0.3693847 -0.0000000), wk = 0.0031153 k( 160) = ( 0.3720930 0.3813003 -0.0000000), wk = 0.0031153 k( 161) = ( 0.3837209 0.3932160 0.0000000), wk = 0.0031153 k( 162) = ( 0.3953488 0.4051316 0.0000000), wk = 0.0031153 k( 163) = ( 0.4069767 0.4170472 0.0000000), wk = 0.0031153 k( 164) = ( 0.4186047 0.4289629 -0.0000000), wk = 0.0031153 k( 165) = ( 0.4302326 0.4408785 -0.0000000), wk = 0.0031153 k( 166) = ( 0.4418605 0.4527941 0.0000000), wk = 0.0031153 k( 167) = ( 0.4534884 0.4647098 0.0000000), wk = 0.0031153 k( 168) = ( 0.4651163 0.4766254 0.0000000), wk = 0.0031153 k( 169) = ( 0.4767442 0.4885410 -0.0000000), wk = 0.0031153 k( 170) = ( 0.4883721 0.5004567 -0.0000000), wk = 0.0031153 k( 171) = ( 0.5000000 0.5123723 0.0000000), wk = 0.0031153 k( 172) = ( 0.5000000 0.5123723 0.0000000), wk = 0.0031153 k( 173) = ( 0.4915188 0.5206488 0.0118504), wk = 0.0031153 k( 174) = ( 0.4830375 0.5289252 0.0237007), wk = 0.0031153 k( 175) = ( 0.4745563 0.5372016 0.0355511), wk = 0.0031153 k( 176) = ( 0.4660750 0.5454781 0.0474014), wk = 0.0031153 k( 177) = ( 0.4575938 0.5537545 0.0592518), wk = 0.0031153 k( 178) = ( 0.4491126 0.5620309 0.0711021), wk = 0.0031153 k( 179) = ( 0.4406313 0.5703074 0.0829524), wk = 0.0031153 k( 180) = ( 0.4321501 0.5785838 0.0948028), wk = 0.0031153 k( 181) = ( 0.4236689 0.5868603 0.1066532), wk = 0.0031153 k( 182) = ( 0.4151876 0.5951367 0.1185035), wk = 0.0031153 k( 183) = ( 0.4067064 0.6034131 0.1303539), wk = 0.0031153 k( 184) = ( 0.3982252 0.6116896 0.1422042), wk = 0.0031153 k( 185) = ( 0.3897439 0.6199660 0.1540546), wk = 0.0031153 k( 186) = ( 0.3812627 0.6282425 0.1659049), wk = 0.0031153 k( 187) = ( 0.3812627 0.6282425 0.1659049), wk = 0.0031153 k( 188) = ( 0.3671418 0.6234983 0.1726977), wk = 0.0031153 k( 189) = ( 0.3530210 0.6187541 0.1794905), wk = 0.0031153 k( 190) = ( 0.3389002 0.6140099 0.1862833), wk = 0.0031153 k( 191) = ( 0.3247793 0.6092657 0.1930762), wk = 0.0031153 k( 192) = ( 0.3106585 0.6045215 0.1998690), wk = 0.0031153 k( 193) = ( 0.2965376 0.5997773 0.2066618), wk = 0.0031153 k( 194) = ( 0.2824168 0.5950331 0.2134546), wk = 0.0031153 k( 195) = ( 0.2682960 0.5902889 0.2202474), wk = 0.0031153 k( 196) = ( 0.2541751 0.5855448 0.2270402), wk = 0.0031153 k( 197) = ( 0.2400543 0.5808006 0.2338330), wk = 0.0031153 k( 198) = ( 0.2259335 0.5760564 0.2406258), wk = 0.0031153 k( 199) = ( 0.2118126 0.5713122 0.2474186), wk = 0.0031153 k( 200) = ( 0.1976918 0.5665680 0.2542115), wk = 0.0031153 k( 201) = ( 0.1835709 0.5618238 0.2610043), wk = 0.0031153 k( 202) = ( 0.1694501 0.5570796 0.2677971), wk = 0.0031153 k( 203) = ( 0.1553292 0.5523354 0.2745899), wk = 0.0031153 k( 204) = ( 0.1412084 0.5475913 0.2813827), wk = 0.0031153 k( 205) = ( 0.1270876 0.5428471 0.2881755), wk = 0.0031153 k( 206) = ( 0.1129667 0.5381029 0.2949683), wk = 0.0031153 k( 207) = ( 0.0988459 0.5333587 0.3017611), wk = 0.0031153 k( 208) = ( 0.0847250 0.5286145 0.3085540), wk = 0.0031153 k( 209) = ( 0.0706042 0.5238703 0.3153468), wk = 0.0031153 k( 210) = ( 0.0564834 0.5191261 0.3221396), wk = 0.0031153 k( 211) = ( 0.0423625 0.5143819 0.3289324), wk = 0.0031153 k( 212) = ( 0.0282417 0.5096378 0.3357252), wk = 0.0031153 k( 213) = ( 0.0141208 0.5048936 0.3425180), wk = 0.0031153 k( 214) = ( 0.0000000 0.5001494 0.3493108), wk = 0.0031153 k( 215) = ( 0.0000000 0.5001494 0.3493108), wk = 0.0031153 k( 216) = ( 0.0083333 0.4920173 0.3609545), wk = 0.0031153 k( 217) = ( 0.0166667 0.4838852 0.3725982), wk = 0.0031153 k( 218) = ( 0.0250000 0.4757531 0.3842419), wk = 0.0031153 k( 219) = ( 0.0333333 0.4676210 0.3958856), wk = 0.0031153 k( 220) = ( 0.0416667 0.4594888 0.4075293), wk = 0.0031153 k( 221) = ( 0.0500000 0.4513567 0.4191730), wk = 0.0031153 k( 222) = ( 0.0583333 0.4432246 0.4308167), wk = 0.0031153 k( 223) = ( 0.0666667 0.4350925 0.4424604), wk = 0.0031153 k( 224) = ( 0.0750000 0.4269604 0.4541041), wk = 0.0031153 k( 225) = ( 0.0833333 0.4188283 0.4657478), wk = 0.0031153 k( 226) = ( 0.0916667 0.4106962 0.4773915), wk = 0.0031153 k( 227) = ( 0.1000000 0.4025641 0.4890352), wk = 0.0031153 k( 228) = ( 0.1083333 0.3944320 0.5006788), wk = 0.0031153 k( 229) = ( 0.1166667 0.3862999 0.5123226), wk = 0.0031153 k( 230) = ( 0.1250000 0.3781678 0.5239662), wk = 0.0031153 k( 231) = ( 0.1333333 0.3700357 0.5356099), wk = 0.0031153 k( 232) = ( 0.1416667 0.3619035 0.5472536), wk = 0.0031153 k( 233) = ( 0.1500000 0.3537714 0.5588973), wk = 0.0031153 k( 234) = ( 0.1583333 0.3456393 0.5705410), wk = 0.0031153 k( 235) = ( 0.1666667 0.3375072 0.5821847), wk = 0.0031153 k( 236) = ( 0.1750000 0.3293751 0.5938284), wk = 0.0031153 k( 237) = ( 0.1833333 0.3212430 0.6054721), wk = 0.0031153 k( 238) = ( 0.1916667 0.3131109 0.6171158), wk = 0.0031153 k( 239) = ( 0.2000000 0.3049788 0.6287595), wk = 0.0031153 k( 240) = ( 0.2083333 0.2968467 0.6404032), wk = 0.0031153 k( 241) = ( 0.2166667 0.2887146 0.6520469), wk = 0.0031153 k( 242) = ( 0.2250000 0.2805825 0.6636906), wk = 0.0031153 k( 243) = ( 0.2333333 0.2724504 0.6753343), wk = 0.0031153 k( 244) = ( 0.2416667 0.2643183 0.6869780), wk = 0.0031153 k( 245) = ( 0.2500000 0.2561862 0.6986217), wk = 0.0031153 k( 246) = ( 0.2500000 0.2561862 0.6986217), wk = 0.0031153 k( 247) = ( 0.2580645 0.2644502 0.6867890), wk = 0.0031153 k( 248) = ( 0.2661290 0.2727143 0.6749564), wk = 0.0031153 k( 249) = ( 0.2741936 0.2809784 0.6631237), wk = 0.0031153 k( 250) = ( 0.2822581 0.2892424 0.6512911), wk = 0.0031153 k( 251) = ( 0.2903226 0.2975065 0.6394585), wk = 0.0031153 k( 252) = ( 0.2983871 0.3057706 0.6276258), wk = 0.0031153 k( 253) = ( 0.3064516 0.3140346 0.6157932), wk = 0.0031153 k( 254) = ( 0.3145161 0.3222987 0.6039605), wk = 0.0031153 k( 255) = ( 0.3225807 0.3305628 0.5921279), wk = 0.0031153 k( 256) = ( 0.3306452 0.3388268 0.5802953), wk = 0.0031153 k( 257) = ( 0.3387097 0.3470909 0.5684626), wk = 0.0031153 k( 258) = ( 0.3467742 0.3553550 0.5566300), wk = 0.0031153 k( 259) = ( 0.3548387 0.3636191 0.5447973), wk = 0.0031153 k( 260) = ( 0.3629032 0.3718831 0.5329647), wk = 0.0031153 k( 261) = ( 0.3709677 0.3801472 0.5211321), wk = 0.0031153 k( 262) = ( 0.3790323 0.3884113 0.5092994), wk = 0.0031153 k( 263) = ( 0.3870968 0.3966753 0.4974668), wk = 0.0031153 k( 264) = ( 0.3951613 0.4049394 0.4856341), wk = 0.0031153 k( 265) = ( 0.4032258 0.4132035 0.4738015), wk = 0.0031153 k( 266) = ( 0.4112903 0.4214675 0.4619689), wk = 0.0031153 k( 267) = ( 0.4193548 0.4297316 0.4501362), wk = 0.0031153 k( 268) = ( 0.4274193 0.4379957 0.4383036), wk = 0.0031153 k( 269) = ( 0.4354839 0.4462598 0.4264709), wk = 0.0031153 k( 270) = ( 0.4435484 0.4545238 0.4146383), wk = 0.0031153 k( 271) = ( 0.4516129 0.4627879 0.4028057), wk = 0.0031153 k( 272) = ( 0.4596774 0.4710520 0.3909730), wk = 0.0031153 k( 273) = ( 0.4677419 0.4793160 0.3791404), wk = 0.0031153 k( 274) = ( 0.4758064 0.4875801 0.3673077), wk = 0.0031153 k( 275) = ( 0.4838710 0.4958442 0.3554751), wk = 0.0031153 k( 276) = ( 0.4919355 0.5041082 0.3436424), wk = 0.0031153 k( 277) = ( 0.5000000 0.5123723 0.3318098), wk = 0.0031153 k( 278) = ( 0.5000000 0.5123723 0.3318098), wk = 0.0031153 k( 279) = ( 0.5000000 0.5123723 0.3152193), wk = 0.0031153 k( 280) = ( 0.5000000 0.5123723 0.2986288), wk = 0.0031153 k( 281) = ( 0.5000000 0.5123723 0.2820383), wk = 0.0031153 k( 282) = ( 0.5000000 0.5123723 0.2654479), wk = 0.0031153 k( 283) = ( 0.5000000 0.5123723 0.2488574), wk = 0.0031153 k( 284) = ( 0.5000000 0.5123723 0.2322669), wk = 0.0031153 k( 285) = ( 0.5000000 0.5123723 0.2156764), wk = 0.0031153 k( 286) = ( 0.5000000 0.5123723 0.1990859), wk = 0.0031153 k( 287) = ( 0.5000000 0.5123723 0.1824954), wk = 0.0031153 k( 288) = ( 0.5000000 0.5123723 0.1659049), wk = 0.0031153 k( 289) = ( 0.5000000 0.5123723 0.1493144), wk = 0.0031153 k( 290) = ( 0.5000000 0.5123723 0.1327239), wk = 0.0031153 k( 291) = ( 0.5000000 0.5123723 0.1161334), wk = 0.0031153 k( 292) = ( 0.5000000 0.5123723 0.0995429), wk = 0.0031153 k( 293) = ( 0.5000000 0.5123723 0.0829524), wk = 0.0031153 k( 294) = ( 0.5000000 0.5123723 0.0663620), wk = 0.0031153 k( 295) = ( 0.5000000 0.5123723 0.0497715), wk = 0.0031153 k( 296) = ( 0.5000000 0.5123723 0.0331810), wk = 0.0031153 k( 297) = ( 0.5000000 0.5123723 0.0165905), wk = 0.0031153 k( 298) = ( 0.5000000 0.5123723 0.0000000), wk = 0.0031153 k( 299) = ( 0.0000000 0.0000000 0.6986217), wk = 0.0031153 k( 300) = ( 0.0113636 0.0116448 0.6986217), wk = 0.0031153 k( 301) = ( 0.0227273 0.0232896 0.6986217), wk = 0.0031153 k( 302) = ( 0.0340909 0.0349345 0.6986217), wk = 0.0031153 k( 303) = ( 0.0454546 0.0465793 0.6986217), wk = 0.0031153 k( 304) = ( 0.0568182 0.0582241 0.6986217), wk = 0.0031153 k( 305) = ( 0.0681818 0.0698690 0.6986217), wk = 0.0031153 k( 306) = ( 0.0795455 0.0815138 0.6986217), wk = 0.0031153 k( 307) = ( 0.0909091 0.0931586 0.6986217), wk = 0.0031153 k( 308) = ( 0.1022727 0.1048034 0.6986217), wk = 0.0031153 k( 309) = ( 0.1136364 0.1164482 0.6986217), wk = 0.0031153 k( 310) = ( 0.1250000 0.1280931 0.6986217), wk = 0.0031153 k( 311) = ( 0.1363636 0.1397379 0.6986217), wk = 0.0031153 k( 312) = ( 0.1477273 0.1513827 0.6986217), wk = 0.0031153 k( 313) = ( 0.1590909 0.1630276 0.6986217), wk = 0.0031153 k( 314) = ( 0.1704546 0.1746724 0.6986217), wk = 0.0031153 k( 315) = ( 0.1818182 0.1863172 0.6986217), wk = 0.0031153 k( 316) = ( 0.1931818 0.1979620 0.6986217), wk = 0.0031153 k( 317) = ( 0.2045454 0.2096068 0.6986217), wk = 0.0031153 k( 318) = ( 0.2159091 0.2212517 0.6986217), wk = 0.0031153 k( 319) = ( 0.2272727 0.2328965 0.6986217), wk = 0.0031153 k( 320) = ( 0.2386364 0.2445413 0.6986217), wk = 0.0031153 k( 321) = ( 0.2500000 0.2561862 0.6986217), wk = 0.0031153 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 2) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0031153 k( 3) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0031153 k( 4) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0031153 k( 5) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0031153 k( 6) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0031153 k( 7) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0031153 k( 8) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031153 k( 9) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0031153 k( 10) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0031153 k( 11) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0031153 k( 12) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0031153 k( 13) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0031153 k( 14) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0031153 k( 15) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031153 k( 16) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0031153 k( 17) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0031153 k( 18) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0031153 k( 19) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0031153 k( 20) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0031153 k( 21) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0031153 k( 22) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031153 k( 23) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0031153 k( 24) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0031153 k( 25) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0031153 k( 26) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0031153 k( 27) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0031153 k( 28) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0031153 k( 29) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031153 k( 30) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0031153 k( 31) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0031153 k( 32) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0031153 k( 33) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0031153 k( 34) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0031153 k( 35) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0031153 k( 36) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031153 k( 37) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0031153 k( 38) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0031153 k( 39) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0031153 k( 40) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0031153 k( 41) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0031153 k( 42) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0031153 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 45) = ( -0.0119330 0.0119330 0.5000000), wk = 0.0031153 k( 46) = ( -0.0238659 0.0238659 0.5000000), wk = 0.0031153 k( 47) = ( -0.0357989 0.0357989 0.5000000), wk = 0.0031153 k( 48) = ( -0.0477319 0.0477319 0.5000000), wk = 0.0031153 k( 49) = ( -0.0596649 0.0596649 0.5000000), wk = 0.0031153 k( 50) = ( -0.0715978 0.0715978 0.5000000), wk = 0.0031153 k( 51) = ( -0.0835308 0.0835308 0.5000000), wk = 0.0031153 k( 52) = ( -0.0954638 0.0954638 0.5000000), wk = 0.0031153 k( 53) = ( -0.1073967 0.1073967 0.5000000), wk = 0.0031153 k( 54) = ( -0.1193297 0.1193297 0.5000000), wk = 0.0031153 k( 55) = ( -0.1312627 0.1312627 0.5000000), wk = 0.0031153 k( 56) = ( -0.1431957 0.1431957 0.5000000), wk = 0.0031153 k( 57) = ( -0.1551286 0.1551286 0.5000000), wk = 0.0031153 k( 58) = ( -0.1670616 0.1670616 0.5000000), wk = 0.0031153 k( 59) = ( -0.1789946 0.1789946 0.5000000), wk = 0.0031153 k( 60) = ( -0.1909276 0.1909276 0.5000000), wk = 0.0031153 k( 61) = ( -0.2028605 0.2028605 0.5000000), wk = 0.0031153 k( 62) = ( -0.2147935 0.2147935 0.5000000), wk = 0.0031153 k( 63) = ( -0.2267265 0.2267265 0.5000000), wk = 0.0031153 k( 64) = ( -0.2386594 0.2386594 0.5000000), wk = 0.0031153 k( 65) = ( -0.2505924 0.2505924 0.5000000), wk = 0.0031153 k( 66) = ( -0.2625254 0.2625254 0.5000000), wk = 0.0031153 k( 67) = ( -0.2625254 0.2625254 0.5000000), wk = 0.0031153 k( 68) = ( -0.2710066 0.2710066 0.4915188), wk = 0.0031153 k( 69) = ( -0.2794879 0.2794879 0.4830375), wk = 0.0031153 k( 70) = ( -0.2879691 0.2879691 0.4745563), wk = 0.0031153 k( 71) = ( -0.2964503 0.2964503 0.4660750), wk = 0.0031153 k( 72) = ( -0.3049316 0.3049316 0.4575938), wk = 0.0031153 k( 73) = ( -0.3134128 0.3134128 0.4491126), wk = 0.0031153 k( 74) = ( -0.3218940 0.3218940 0.4406313), wk = 0.0031153 k( 75) = ( -0.3303753 0.3303753 0.4321501), wk = 0.0031153 k( 76) = ( -0.3388565 0.3388565 0.4236689), wk = 0.0031153 k( 77) = ( -0.3473378 0.3473378 0.4151876), wk = 0.0031153 k( 78) = ( -0.3558190 0.3558190 0.4067064), wk = 0.0031153 k( 79) = ( -0.3643002 0.3643002 0.3982252), wk = 0.0031153 k( 80) = ( -0.3727815 0.3727815 0.3897439), wk = 0.0031153 k( 81) = ( -0.3812627 0.3812627 0.3812627), wk = 0.0031153 k( 82) = ( -0.3812627 0.3812627 0.3812627), wk = 0.0031153 k( 83) = ( -0.3727902 0.3727902 0.3727902), wk = 0.0031153 k( 84) = ( -0.3643177 0.3643177 0.3643177), wk = 0.0031153 k( 85) = ( -0.3558452 0.3558452 0.3558452), wk = 0.0031153 k( 86) = ( -0.3473727 0.3473727 0.3473727), wk = 0.0031153 k( 87) = ( -0.3389002 0.3389002 0.3389002), wk = 0.0031153 k( 88) = ( -0.3304277 0.3304277 0.3304277), wk = 0.0031153 k( 89) = ( -0.3219552 0.3219552 0.3219552), wk = 0.0031153 k( 90) = ( -0.3134827 0.3134827 0.3134827), wk = 0.0031153 k( 91) = ( -0.3050101 0.3050101 0.3050101), wk = 0.0031153 k( 92) = ( -0.2965376 0.2965376 0.2965376), wk = 0.0031153 k( 93) = ( -0.2880651 0.2880651 0.2880651), wk = 0.0031153 k( 94) = ( -0.2795926 0.2795926 0.2795926), wk = 0.0031153 k( 95) = ( -0.2711201 0.2711201 0.2711201), wk = 0.0031153 k( 96) = ( -0.2626476 0.2626476 0.2626476), wk = 0.0031153 k( 97) = ( -0.2541751 0.2541751 0.2541751), wk = 0.0031153 k( 98) = ( -0.2457026 0.2457026 0.2457026), wk = 0.0031153 k( 99) = ( -0.2372301 0.2372301 0.2372301), wk = 0.0031153 k( 100) = ( -0.2287576 0.2287576 0.2287576), wk = 0.0031153 k( 101) = ( -0.2202851 0.2202851 0.2202851), wk = 0.0031153 k( 102) = ( -0.2118126 0.2118126 0.2118126), wk = 0.0031153 k( 103) = ( -0.2033401 0.2033401 0.2033401), wk = 0.0031153 k( 104) = ( -0.1948676 0.1948676 0.1948676), wk = 0.0031153 k( 105) = ( -0.1863951 0.1863951 0.1863951), wk = 0.0031153 k( 106) = ( -0.1779226 0.1779226 0.1779226), wk = 0.0031153 k( 107) = ( -0.1694501 0.1694501 0.1694501), wk = 0.0031153 k( 108) = ( -0.1609776 0.1609776 0.1609776), wk = 0.0031153 k( 109) = ( -0.1525051 0.1525051 0.1525051), wk = 0.0031153 k( 110) = ( -0.1440326 0.1440326 0.1440326), wk = 0.0031153 k( 111) = ( -0.1355601 0.1355601 0.1355601), wk = 0.0031153 k( 112) = ( -0.1270876 0.1270876 0.1270876), wk = 0.0031153 k( 113) = ( -0.1186151 0.1186151 0.1186151), wk = 0.0031153 k( 114) = ( -0.1101426 0.1101426 0.1101426), wk = 0.0031153 k( 115) = ( -0.1016700 0.1016700 0.1016700), wk = 0.0031153 k( 116) = ( -0.0931976 0.0931975 0.0931976), wk = 0.0031153 k( 117) = ( -0.0847250 0.0847250 0.0847250), wk = 0.0031153 k( 118) = ( -0.0762525 0.0762525 0.0762525), wk = 0.0031153 k( 119) = ( -0.0677800 0.0677800 0.0677800), wk = 0.0031153 k( 120) = ( -0.0593075 0.0593075 0.0593075), wk = 0.0031153 k( 121) = ( -0.0508350 0.0508350 0.0508350), wk = 0.0031153 k( 122) = ( -0.0423625 0.0423625 0.0423625), wk = 0.0031153 k( 123) = ( -0.0338900 0.0338900 0.0338900), wk = 0.0031153 k( 124) = ( -0.0254175 0.0254175 0.0254175), wk = 0.0031153 k( 125) = ( -0.0169450 0.0169450 0.0169450), wk = 0.0031153 k( 126) = ( -0.0084725 0.0084725 0.0084725), wk = 0.0031153 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 129) = ( 0.0116279 0.0116279 -0.0116279), wk = 0.0031153 k( 130) = ( 0.0232558 0.0232558 -0.0232558), wk = 0.0031153 k( 131) = ( 0.0348837 0.0348837 -0.0348837), wk = 0.0031153 k( 132) = ( 0.0465116 0.0465116 -0.0465116), wk = 0.0031153 k( 133) = ( 0.0581395 0.0581395 -0.0581395), wk = 0.0031153 k( 134) = ( 0.0697674 0.0697674 -0.0697674), wk = 0.0031153 k( 135) = ( 0.0813954 0.0813953 -0.0813953), wk = 0.0031153 k( 136) = ( 0.0930233 0.0930233 -0.0930233), wk = 0.0031153 k( 137) = ( 0.1046512 0.1046512 -0.1046512), wk = 0.0031153 k( 138) = ( 0.1162791 0.1162791 -0.1162791), wk = 0.0031153 k( 139) = ( 0.1279070 0.1279070 -0.1279070), wk = 0.0031153 k( 140) = ( 0.1395349 0.1395349 -0.1395349), wk = 0.0031153 k( 141) = ( 0.1511628 0.1511628 -0.1511628), wk = 0.0031153 k( 142) = ( 0.1627907 0.1627907 -0.1627907), wk = 0.0031153 k( 143) = ( 0.1744186 0.1744186 -0.1744186), wk = 0.0031153 k( 144) = ( 0.1860465 0.1860465 -0.1860465), wk = 0.0031153 k( 145) = ( 0.1976744 0.1976744 -0.1976744), wk = 0.0031153 k( 146) = ( 0.2093023 0.2093023 -0.2093023), wk = 0.0031153 k( 147) = ( 0.2209302 0.2209302 -0.2209302), wk = 0.0031153 k( 148) = ( 0.2325581 0.2325581 -0.2325581), wk = 0.0031153 k( 149) = ( 0.2441860 0.2441860 -0.2441860), wk = 0.0031153 k( 150) = ( 0.2558140 0.2558139 -0.2558140), wk = 0.0031153 k( 151) = ( 0.2674419 0.2674419 -0.2674419), wk = 0.0031153 k( 152) = ( 0.2790698 0.2790698 -0.2790698), wk = 0.0031153 k( 153) = ( 0.2906977 0.2906977 -0.2906977), wk = 0.0031153 k( 154) = ( 0.3023256 0.3023256 -0.3023256), wk = 0.0031153 k( 155) = ( 0.3139535 0.3139535 -0.3139535), wk = 0.0031153 k( 156) = ( 0.3255814 0.3255814 -0.3255814), wk = 0.0031153 k( 157) = ( 0.3372093 0.3372093 -0.3372093), wk = 0.0031153 k( 158) = ( 0.3488372 0.3488372 -0.3488372), wk = 0.0031153 k( 159) = ( 0.3604651 0.3604651 -0.3604651), wk = 0.0031153 k( 160) = ( 0.3720930 0.3720930 -0.3720930), wk = 0.0031153 k( 161) = ( 0.3837209 0.3837209 -0.3837209), wk = 0.0031153 k( 162) = ( 0.3953488 0.3953488 -0.3953488), wk = 0.0031153 k( 163) = ( 0.4069767 0.4069767 -0.4069767), wk = 0.0031153 k( 164) = ( 0.4186047 0.4186046 -0.4186046), wk = 0.0031153 k( 165) = ( 0.4302326 0.4302326 -0.4302326), wk = 0.0031153 k( 166) = ( 0.4418605 0.4418605 -0.4418605), wk = 0.0031153 k( 167) = ( 0.4534884 0.4534884 -0.4534884), wk = 0.0031153 k( 168) = ( 0.4651163 0.4651163 -0.4651163), wk = 0.0031153 k( 169) = ( 0.4767442 0.4767442 -0.4767442), wk = 0.0031153 k( 170) = ( 0.4883721 0.4883721 -0.4883721), wk = 0.0031153 k( 171) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031153 k( 172) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031153 k( 173) = ( 0.4915188 0.5084812 -0.4915188), wk = 0.0031153 k( 174) = ( 0.4830375 0.5169625 -0.4830375), wk = 0.0031153 k( 175) = ( 0.4745563 0.5254437 -0.4745563), wk = 0.0031153 k( 176) = ( 0.4660750 0.5339249 -0.4660750), wk = 0.0031153 k( 177) = ( 0.4575938 0.5424062 -0.4575938), wk = 0.0031153 k( 178) = ( 0.4491126 0.5508874 -0.4491126), wk = 0.0031153 k( 179) = ( 0.4406313 0.5593687 -0.4406313), wk = 0.0031153 k( 180) = ( 0.4321501 0.5678499 -0.4321501), wk = 0.0031153 k( 181) = ( 0.4236689 0.5763311 -0.4236689), wk = 0.0031153 k( 182) = ( 0.4151876 0.5848124 -0.4151876), wk = 0.0031153 k( 183) = ( 0.4067064 0.5932936 -0.4067064), wk = 0.0031153 k( 184) = ( 0.3982252 0.6017748 -0.3982252), wk = 0.0031153 k( 185) = ( 0.3897439 0.6102561 -0.3897439), wk = 0.0031153 k( 186) = ( 0.3812627 0.6187373 -0.3812627), wk = 0.0031153 k( 187) = ( 0.3812627 0.6187373 -0.3812627), wk = 0.0031153 k( 188) = ( 0.3671418 0.6143396 -0.3671418), wk = 0.0031153 k( 189) = ( 0.3530210 0.6099419 -0.3530210), wk = 0.0031153 k( 190) = ( 0.3389002 0.6055443 -0.3389002), wk = 0.0031153 k( 191) = ( 0.3247793 0.6011466 -0.3247793), wk = 0.0031153 k( 192) = ( 0.3106585 0.5967489 -0.3106585), wk = 0.0031153 k( 193) = ( 0.2965376 0.5923512 -0.2965376), wk = 0.0031153 k( 194) = ( 0.2824168 0.5879536 -0.2824168), wk = 0.0031153 k( 195) = ( 0.2682960 0.5835559 -0.2682960), wk = 0.0031153 k( 196) = ( 0.2541751 0.5791582 -0.2541751), wk = 0.0031153 k( 197) = ( 0.2400543 0.5747605 -0.2400543), wk = 0.0031153 k( 198) = ( 0.2259335 0.5703628 -0.2259334), wk = 0.0031153 k( 199) = ( 0.2118126 0.5659652 -0.2118126), wk = 0.0031153 k( 200) = ( 0.1976918 0.5615675 -0.1976918), wk = 0.0031153 k( 201) = ( 0.1835709 0.5571698 -0.1835709), wk = 0.0031153 k( 202) = ( 0.1694501 0.5527721 -0.1694501), wk = 0.0031153 k( 203) = ( 0.1553292 0.5483745 -0.1553292), wk = 0.0031153 k( 204) = ( 0.1412084 0.5439768 -0.1412084), wk = 0.0031153 k( 205) = ( 0.1270876 0.5395791 -0.1270876), wk = 0.0031153 k( 206) = ( 0.1129667 0.5351814 -0.1129667), wk = 0.0031153 k( 207) = ( 0.0988459 0.5307837 -0.0988459), wk = 0.0031153 k( 208) = ( 0.0847250 0.5263861 -0.0847250), wk = 0.0031153 k( 209) = ( 0.0706042 0.5219884 -0.0706042), wk = 0.0031153 k( 210) = ( 0.0564834 0.5175907 -0.0564834), wk = 0.0031153 k( 211) = ( 0.0423625 0.5131930 -0.0423625), wk = 0.0031153 k( 212) = ( 0.0282417 0.5087954 -0.0282417), wk = 0.0031153 k( 213) = ( 0.0141208 0.5043977 -0.0141208), wk = 0.0031153 k( 214) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031153 k( 215) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031153 k( 216) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0031153 k( 217) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0031153 k( 218) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0031153 k( 219) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0031153 k( 220) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0031153 k( 221) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0031153 k( 222) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0031153 k( 223) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0031153 k( 224) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0031153 k( 225) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0031153 k( 226) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0031153 k( 227) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0031153 k( 228) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0031153 k( 229) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0031153 k( 230) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0031153 k( 231) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0031153 k( 232) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0031153 k( 233) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0031153 k( 234) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0031153 k( 235) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0031153 k( 236) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0031153 k( 237) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0031153 k( 238) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0031153 k( 239) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0031153 k( 240) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0031153 k( 241) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0031153 k( 242) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0031153 k( 243) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0031153 k( 244) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0031153 k( 245) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031153 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031153 k( 247) = ( 0.2580645 0.2580645 0.2334669), wk = 0.0031153 k( 248) = ( 0.2661290 0.2661290 0.2169338), wk = 0.0031153 k( 249) = ( 0.2741936 0.2741936 0.2004008), wk = 0.0031153 k( 250) = ( 0.2822581 0.2822581 0.1838677), wk = 0.0031153 k( 251) = ( 0.2903226 0.2903226 0.1673346), wk = 0.0031153 k( 252) = ( 0.2983871 0.2983871 0.1508015), wk = 0.0031153 k( 253) = ( 0.3064516 0.3064516 0.1342685), wk = 0.0031153 k( 254) = ( 0.3145161 0.3145161 0.1177354), wk = 0.0031153 k( 255) = ( 0.3225807 0.3225806 0.1012023), wk = 0.0031153 k( 256) = ( 0.3306452 0.3306452 0.0846692), wk = 0.0031153 k( 257) = ( 0.3387097 0.3387097 0.0681361), wk = 0.0031153 k( 258) = ( 0.3467742 0.3467742 0.0516031), wk = 0.0031153 k( 259) = ( 0.3548387 0.3548387 0.0350700), wk = 0.0031153 k( 260) = ( 0.3629032 0.3629032 0.0185369), wk = 0.0031153 k( 261) = ( 0.3709677 0.3709677 0.0020039), wk = 0.0031153 k( 262) = ( 0.3790323 0.3790323 -0.0145292), wk = 0.0031153 k( 263) = ( 0.3870968 0.3870968 -0.0310623), wk = 0.0031153 k( 264) = ( 0.3951613 0.3951613 -0.0475954), wk = 0.0031153 k( 265) = ( 0.4032258 0.4032258 -0.0641285), wk = 0.0031153 k( 266) = ( 0.4112903 0.4112903 -0.0806615), wk = 0.0031153 k( 267) = ( 0.4193548 0.4193548 -0.0971946), wk = 0.0031153 k( 268) = ( 0.4274193 0.4274193 -0.1137277), wk = 0.0031153 k( 269) = ( 0.4354839 0.4354839 -0.1302608), wk = 0.0031153 k( 270) = ( 0.4435484 0.4435484 -0.1467938), wk = 0.0031153 k( 271) = ( 0.4516129 0.4516129 -0.1633269), wk = 0.0031153 k( 272) = ( 0.4596774 0.4596774 -0.1798600), wk = 0.0031153 k( 273) = ( 0.4677419 0.4677419 -0.1963931), wk = 0.0031153 k( 274) = ( 0.4758064 0.4758064 -0.2129261), wk = 0.0031153 k( 275) = ( 0.4838710 0.4838710 -0.2294592), wk = 0.0031153 k( 276) = ( 0.4919355 0.4919355 -0.2459923), wk = 0.0031153 k( 277) = ( 0.5000000 0.5000000 -0.2625254), wk = 0.0031153 k( 278) = ( 0.5000000 0.5000000 -0.2625254), wk = 0.0031153 k( 279) = ( 0.5000000 0.5000000 -0.2743991), wk = 0.0031153 k( 280) = ( 0.5000000 0.5000000 -0.2862728), wk = 0.0031153 k( 281) = ( 0.5000000 0.5000000 -0.2981466), wk = 0.0031153 k( 282) = ( 0.5000000 0.5000000 -0.3100203), wk = 0.0031153 k( 283) = ( 0.5000000 0.5000000 -0.3218940), wk = 0.0031153 k( 284) = ( 0.5000000 0.5000000 -0.3337678), wk = 0.0031153 k( 285) = ( 0.5000000 0.5000000 -0.3456415), wk = 0.0031153 k( 286) = ( 0.5000000 0.5000000 -0.3575152), wk = 0.0031153 k( 287) = ( 0.5000000 0.5000000 -0.3693890), wk = 0.0031153 k( 288) = ( 0.5000000 0.5000000 -0.3812627), wk = 0.0031153 k( 289) = ( 0.5000000 0.5000000 -0.3931364), wk = 0.0031153 k( 290) = ( 0.5000000 0.5000000 -0.4050101), wk = 0.0031153 k( 291) = ( 0.5000000 0.5000000 -0.4168839), wk = 0.0031153 k( 292) = ( 0.5000000 0.5000000 -0.4287576), wk = 0.0031153 k( 293) = ( 0.5000000 0.5000000 -0.4406313), wk = 0.0031153 k( 294) = ( 0.5000000 0.5000000 -0.4525051), wk = 0.0031153 k( 295) = ( 0.5000000 0.5000000 -0.4643788), wk = 0.0031153 k( 296) = ( 0.5000000 0.5000000 -0.4762525), wk = 0.0031153 k( 297) = ( 0.5000000 0.5000000 -0.4881263), wk = 0.0031153 k( 298) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031153 k( 299) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 300) = ( 0.0113636 0.0113636 0.4886364), wk = 0.0031153 k( 301) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0031153 k( 302) = ( 0.0340909 0.0340909 0.4659091), wk = 0.0031153 k( 303) = ( 0.0454546 0.0454546 0.4545454), wk = 0.0031153 k( 304) = ( 0.0568182 0.0568182 0.4431818), wk = 0.0031153 k( 305) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0031153 k( 306) = ( 0.0795455 0.0795454 0.4204545), wk = 0.0031153 k( 307) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0031153 k( 308) = ( 0.1022727 0.1022727 0.3977273), wk = 0.0031153 k( 309) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0031153 k( 310) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031153 k( 311) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0031153 k( 312) = ( 0.1477273 0.1477273 0.3522727), wk = 0.0031153 k( 313) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0031153 k( 314) = ( 0.1704546 0.1704545 0.3295454), wk = 0.0031153 k( 315) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0031153 k( 316) = ( 0.1931818 0.1931818 0.3068182), wk = 0.0031153 k( 317) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0031153 k( 318) = ( 0.2159091 0.2159091 0.2840909), wk = 0.0031153 k( 319) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0031153 k( 320) = ( 0.2386364 0.2386364 0.2613636), wk = 0.0031153 k( 321) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031153 Dense grid: 72153 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 30403 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 210, 58) NL pseudopotentials 0.29 Mb ( 105, 180) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2004) G-vector shells 0.01 Mb ( 929) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 210, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.32 Mb ( 180, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./CaxBCx2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.6 secs Computing kpt #: 10 total cpu time spent up to now is 11.3 secs Computing kpt #: 11 total cpu time spent up to now is 12.1 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 13.7 secs Computing kpt #: 14 total cpu time spent up to now is 14.6 secs Computing kpt #: 15 total cpu time spent up to now is 15.5 secs Computing kpt #: 16 total cpu time spent up to now is 16.4 secs Computing kpt #: 17 total cpu time spent up to now is 17.2 secs Computing kpt #: 18 total cpu time spent up to now is 18.0 secs Computing kpt #: 19 total cpu time spent up to now is 18.7 secs Computing kpt #: 20 total cpu time spent up to now is 19.5 secs Computing kpt #: 21 total cpu time spent up to now is 20.3 secs Computing kpt #: 22 total cpu time spent up to now is 21.1 secs Computing kpt #: 23 total cpu time spent up to now is 22.0 secs Computing kpt #: 24 total cpu time spent up to now is 23.0 secs Computing kpt #: 25 total cpu time spent up to now is 23.9 secs Computing kpt #: 26 total cpu time spent up to now is 24.9 secs Computing kpt #: 27 total cpu time spent up to now is 25.8 secs Computing kpt #: 28 total cpu time spent up to now is 26.8 secs Computing kpt #: 29 total cpu time spent up to now is 27.8 secs Computing kpt #: 30 total cpu time spent up to now is 28.9 secs Computing kpt #: 31 total cpu time spent up to now is 30.1 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.9 secs Computing kpt #: 33 total cpu time spent up to now is 33.4 secs Computing kpt #: 34 total cpu time spent up to now is 34.6 secs Computing kpt #: 35 total cpu time spent up to now is 35.9 secs Computing kpt #: 36 total cpu time spent up to now is 37.4 secs Computing kpt #: 37 total cpu time spent up to now is 38.7 secs Computing kpt #: 38 total cpu time spent up to now is 40.2 secs Computing kpt #: 39 total cpu time spent up to now is 41.9 secs Computing kpt #: 40 total cpu time spent up to now is 43.4 secs Computing kpt #: 41 total cpu time spent up to now is 44.5 secs Computing kpt #: 42 total cpu time spent up to now is 45.7 secs Computing kpt #: 43 total cpu time spent up to now is 47.0 secs Computing kpt #: 44 total cpu time spent up to now is 48.2 secs Computing kpt #: 45 total cpu time spent up to now is 49.7 secs Computing kpt #: 46 total cpu time spent up to now is 50.9 secs Computing kpt #: 47 total cpu time spent up to now is 52.3 secs Computing kpt #: 48 total cpu time spent up to now is 53.5 secs Computing kpt #: 49 total cpu time spent up to now is 54.5 secs Computing kpt #: 50 total cpu time spent up to now is 55.3 secs Computing kpt #: 51 total cpu time spent up to now is 56.1 secs Computing kpt #: 52 total cpu time spent up to now is 57.0 secs Computing kpt #: 53 total cpu time spent up to now is 57.8 secs Computing kpt #: 54 total cpu time spent up to now is 58.6 secs Computing kpt #: 55 total cpu time spent up to now is 59.4 secs Computing kpt #: 56 total cpu time spent up to now is 60.2 secs Computing kpt #: 57 total cpu time spent up to now is 61.0 secs Computing kpt #: 58 total cpu time spent up to now is 61.7 secs Computing kpt #: 59 total cpu time spent up to now is 62.5 secs Computing kpt #: 60 total cpu time spent up to now is 63.3 secs Computing kpt #: 61 total cpu time spent up to now is 64.1 secs Computing kpt #: 62 total cpu time spent up to now is 64.8 secs Computing kpt #: 63 total cpu time spent up to now is 65.6 secs Computing kpt #: 64 total cpu time spent up to now is 66.3 secs Computing kpt #: 65 total cpu time spent up to now is 67.0 secs Computing kpt #: 66 total cpu time spent up to now is 67.7 secs Computing kpt #: 67 total cpu time spent up to now is 68.5 secs Computing kpt #: 68 total cpu time spent up to now is 69.3 secs Computing kpt #: 69 total cpu time spent up to now is 70.0 secs Computing kpt #: 70 total cpu time spent up to now is 70.8 secs Computing kpt #: 71 total cpu time spent up to now is 71.6 secs Computing kpt #: 72 total cpu time spent up to now is 72.3 secs Computing kpt #: 73 total cpu time spent up to now is 73.2 secs Computing kpt #: 74 total cpu time spent up to now is 74.0 secs Computing kpt #: 75 total cpu time spent up to now is 74.8 secs Computing kpt #: 76 total cpu time spent up to now is 75.7 secs Computing kpt #: 77 total cpu time spent up to now is 76.6 secs Computing kpt #: 78 total cpu time spent up to now is 77.5 secs Computing kpt #: 79 total cpu time spent up to now is 78.5 secs Computing kpt #: 80 total cpu time spent up to now is 79.5 secs Computing kpt #: 81 total cpu time spent up to now is 80.6 secs Computing kpt #: 82 total cpu time spent up to now is 81.6 secs Computing kpt #: 83 total cpu time spent up to now is 82.6 secs Computing kpt #: 84 total cpu time spent up to now is 83.6 secs Computing kpt #: 85 total cpu time spent up to now is 84.5 secs Computing kpt #: 86 total cpu time spent up to now is 85.4 secs Computing kpt #: 87 total cpu time spent up to now is 86.6 secs Computing kpt #: 88 total cpu time spent up to now is 87.9 secs Computing kpt #: 89 total cpu time spent up to now is 89.0 secs Computing kpt #: 90 total cpu time spent up to now is 90.1 secs Computing kpt #: 91 total cpu time spent up to now is 91.1 secs Computing kpt #: 92 total cpu time spent up to now is 92.0 secs Computing kpt #: 93 total cpu time spent up to now is 92.9 secs Computing kpt #: 94 total cpu time spent up to now is 93.8 secs Computing kpt #: 95 total cpu time spent up to now is 94.7 secs Computing kpt #: 96 total cpu time spent up to now is 95.6 secs Computing kpt #: 97 total cpu time spent up to now is 96.5 secs Computing kpt #: 98 total cpu time spent up to now is 97.4 secs Computing kpt #: 99 total cpu time spent up to now is 98.3 secs Computing kpt #: 100 total cpu time spent up to now is 99.3 secs Computing kpt #: 101 total cpu time spent up to now is 100.3 secs Computing kpt #: 102 total cpu time spent up to now is 101.3 secs Computing kpt #: 103 total cpu time spent up to now is 102.2 secs Computing kpt #: 104 total cpu time spent up to now is 103.2 secs Computing kpt #: 105 total cpu time spent up to now is 104.1 secs Computing kpt #: 106 total cpu time spent up to now is 105.1 secs Computing kpt #: 107 total cpu time spent up to now is 106.1 secs Computing kpt #: 108 total cpu time spent up to now is 107.0 secs Computing kpt #: 109 total cpu time spent up to now is 108.0 secs Computing kpt #: 110 total cpu time spent up to now is 108.8 secs Computing kpt #: 111 total cpu time spent up to now is 109.7 secs Computing kpt #: 112 total cpu time spent up to now is 110.6 secs Computing kpt #: 113 total cpu time spent up to now is 111.6 secs Computing kpt #: 114 total cpu time spent up to now is 112.4 secs Computing kpt #: 115 total cpu time spent up to now is 113.1 secs Computing kpt #: 116 total cpu time spent up to now is 113.8 secs Computing kpt #: 117 total cpu time spent up to now is 114.6 secs Computing kpt #: 118 total cpu time spent up to now is 115.4 secs Computing kpt #: 119 total cpu time spent up to now is 116.2 secs Computing kpt #: 120 total cpu time spent up to now is 116.9 secs Computing kpt #: 121 total cpu time spent up to now is 117.8 secs Computing kpt #: 122 total cpu time spent up to now is 118.6 secs Computing kpt #: 123 total cpu time spent up to now is 119.4 secs Computing kpt #: 124 total cpu time spent up to now is 120.2 secs Computing kpt #: 125 total cpu time spent up to now is 121.0 secs Computing kpt #: 126 total cpu time spent up to now is 121.9 secs Computing kpt #: 127 total cpu time spent up to now is 122.7 secs Computing kpt #: 128 total cpu time spent up to now is 123.5 secs Computing kpt #: 129 total cpu time spent up to now is 124.3 secs Computing kpt #: 130 total cpu time spent up to now is 125.1 secs Computing kpt #: 131 total cpu time spent up to now is 125.8 secs Computing kpt #: 132 total cpu time spent up to now is 126.6 secs Computing kpt #: 133 total cpu time spent up to now is 127.3 secs Computing kpt #: 134 total cpu time spent up to now is 128.0 secs Computing kpt #: 135 total cpu time spent up to now is 128.7 secs Computing kpt #: 136 total cpu time spent up to now is 129.4 secs Computing kpt #: 137 total cpu time spent up to now is 130.2 secs Computing kpt #: 138 total cpu time spent up to now is 131.0 secs Computing kpt #: 139 total cpu time spent up to now is 131.8 secs Computing kpt #: 140 total cpu time spent up to now is 132.6 secs Computing kpt #: 141 total cpu time spent up to now is 133.5 secs Computing kpt #: 142 total cpu time spent up to now is 134.4 secs Computing kpt #: 143 total cpu time spent up to now is 135.4 secs Computing kpt #: 144 total cpu time spent up to now is 136.3 secs Computing kpt #: 145 total cpu time spent up to now is 137.1 secs Computing kpt #: 146 total cpu time spent up to now is 137.9 secs Computing kpt #: 147 total cpu time spent up to now is 138.7 secs Computing kpt #: 148 total cpu time spent up to now is 139.5 secs Computing kpt #: 149 total cpu time spent up to now is 140.3 secs Computing kpt #: 150 total cpu time spent up to now is 141.1 secs Computing kpt #: 151 total cpu time spent up to now is 141.8 secs Computing kpt #: 152 total cpu time spent up to now is 142.6 secs Computing kpt #: 153 total cpu time spent up to now is 143.3 secs Computing kpt #: 154 total cpu time spent up to now is 144.0 secs Computing kpt #: 155 total cpu time spent up to now is 144.6 secs Computing kpt #: 156 total cpu time spent up to now is 145.2 secs Computing kpt #: 157 total cpu time spent up to now is 145.8 secs Computing kpt #: 158 total cpu time spent up to now is 146.4 secs Computing kpt #: 159 total cpu time spent up to now is 147.2 secs Computing kpt #: 160 total cpu time spent up to now is 147.9 secs Computing kpt #: 161 total cpu time spent up to now is 148.7 secs Computing kpt #: 162 total cpu time spent up to now is 149.6 secs Computing kpt #: 163 total cpu time spent up to now is 150.5 secs Computing kpt #: 164 total cpu time spent up to now is 151.6 secs Computing kpt #: 165 total cpu time spent up to now is 152.8 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.6 secs Computing kpt #: 167 total cpu time spent up to now is 156.3 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 158.1 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.9 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.7 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.5 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.4 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 167.2 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 169.1 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.9 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.8 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.6 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.5 secs Computing kpt #: 179 total cpu time spent up to now is 177.9 secs Computing kpt #: 180 total cpu time spent up to now is 179.2 secs Computing kpt #: 181 total cpu time spent up to now is 180.5 secs Computing kpt #: 182 total cpu time spent up to now is 184.0 secs Computing kpt #: 183 total cpu time spent up to now is 185.1 secs Computing kpt #: 184 total cpu time spent up to now is 186.2 secs Computing kpt #: 185 total cpu time spent up to now is 187.3 secs Computing kpt #: 186 total cpu time spent up to now is 188.2 secs Computing kpt #: 187 total cpu time spent up to now is 189.2 secs Computing kpt #: 188 total cpu time spent up to now is 190.2 secs Computing kpt #: 189 total cpu time spent up to now is 191.1 secs Computing kpt #: 190 total cpu time spent up to now is 192.0 secs Computing kpt #: 191 total cpu time spent up to now is 193.0 secs Computing kpt #: 192 total cpu time spent up to now is 193.9 secs Computing kpt #: 193 total cpu time spent up to now is 194.8 secs Computing kpt #: 194 total cpu time spent up to now is 195.7 secs Computing kpt #: 195 total cpu time spent up to now is 196.6 secs Computing kpt #: 196 total cpu time spent up to now is 197.6 secs Computing kpt #: 197 total cpu time spent up to now is 198.6 secs Computing kpt #: 198 total cpu time spent up to now is 199.7 secs Computing kpt #: 199 total cpu time spent up to now is 200.7 secs Computing kpt #: 200 total cpu time spent up to now is 202.0 secs Computing kpt #: 201 total cpu time spent up to now is 203.1 secs Computing kpt #: 202 total cpu time spent up to now is 204.2 secs Computing kpt #: 203 total cpu time spent up to now is 205.3 secs Computing kpt #: 204 total cpu time spent up to now is 206.3 secs Computing kpt #: 205 total cpu time spent up to now is 207.3 secs Computing kpt #: 206 total cpu time spent up to now is 208.4 secs Computing kpt #: 207 total cpu time spent up to now is 209.5 secs Computing kpt #: 208 total cpu time spent up to now is 210.6 secs Computing kpt #: 209 total cpu time spent up to now is 211.9 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.8 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.7 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.6 secs Computing kpt #: 213 total cpu time spent up to now is 218.7 secs Computing kpt #: 214 total cpu time spent up to now is 219.7 secs Computing kpt #: 215 total cpu time spent up to now is 220.7 secs Computing kpt #: 216 total cpu time spent up to now is 221.8 secs Computing kpt #: 217 total cpu time spent up to now is 222.8 secs Computing kpt #: 218 total cpu time spent up to now is 223.9 secs Computing kpt #: 219 total cpu time spent up to now is 224.9 secs Computing kpt #: 220 total cpu time spent up to now is 225.9 secs Computing kpt #: 221 total cpu time spent up to now is 227.0 secs Computing kpt #: 222 total cpu time spent up to now is 228.0 secs Computing kpt #: 223 total cpu time spent up to now is 229.0 secs Computing kpt #: 224 total cpu time spent up to now is 230.1 secs Computing kpt #: 225 total cpu time spent up to now is 231.2 secs Computing kpt #: 226 total cpu time spent up to now is 232.3 secs Computing kpt #: 227 total cpu time spent up to now is 233.4 secs Computing kpt #: 228 total cpu time spent up to now is 234.5 secs Computing kpt #: 229 total cpu time spent up to now is 235.7 secs Computing kpt #: 230 total cpu time spent up to now is 236.9 secs Computing kpt #: 231 total cpu time spent up to now is 238.1 secs Computing kpt #: 232 total cpu time spent up to now is 239.6 secs Computing kpt #: 233 total cpu time spent up to now is 241.0 secs Computing kpt #: 234 total cpu time spent up to now is 242.2 secs Computing kpt #: 235 total cpu time spent up to now is 243.4 secs Computing kpt #: 236 total cpu time spent up to now is 244.6 secs Computing kpt #: 237 total cpu time spent up to now is 245.6 secs Computing kpt #: 238 total cpu time spent up to now is 246.6 secs Computing kpt #: 239 total cpu time spent up to now is 247.4 secs Computing kpt #: 240 total cpu time spent up to now is 248.3 secs Computing kpt #: 241 total cpu time spent up to now is 249.1 secs Computing kpt #: 242 total cpu time spent up to now is 249.9 secs Computing kpt #: 243 total cpu time spent up to now is 250.7 secs Computing kpt #: 244 total cpu time spent up to now is 251.4 secs Computing kpt #: 245 total cpu time spent up to now is 252.1 secs Computing kpt #: 246 total cpu time spent up to now is 252.9 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.7 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.5 secs Computing kpt #: 249 total cpu time spent up to now is 258.2 secs Computing kpt #: 250 total cpu time spent up to now is 259.8 secs Computing kpt #: 251 total cpu time spent up to now is 260.9 secs Computing kpt #: 252 total cpu time spent up to now is 261.9 secs Computing kpt #: 253 total cpu time spent up to now is 262.9 secs Computing kpt #: 254 total cpu time spent up to now is 263.9 secs Computing kpt #: 255 total cpu time spent up to now is 264.7 secs Computing kpt #: 256 total cpu time spent up to now is 265.6 secs Computing kpt #: 257 total cpu time spent up to now is 266.6 secs Computing kpt #: 258 total cpu time spent up to now is 267.6 secs Computing kpt #: 259 total cpu time spent up to now is 268.6 secs Computing kpt #: 260 total cpu time spent up to now is 269.7 secs Computing kpt #: 261 total cpu time spent up to now is 270.7 secs Computing kpt #: 262 total cpu time spent up to now is 271.6 secs Computing kpt #: 263 total cpu time spent up to now is 272.7 secs Computing kpt #: 264 total cpu time spent up to now is 273.7 secs Computing kpt #: 265 total cpu time spent up to now is 274.7 secs Computing kpt #: 266 total cpu time spent up to now is 275.7 secs Computing kpt #: 267 total cpu time spent up to now is 276.6 secs Computing kpt #: 268 total cpu time spent up to now is 277.6 secs Computing kpt #: 269 total cpu time spent up to now is 278.8 secs Computing kpt #: 270 total cpu time spent up to now is 279.6 secs Computing kpt #: 271 total cpu time spent up to now is 280.4 secs Computing kpt #: 272 total cpu time spent up to now is 281.1 secs Computing kpt #: 273 total cpu time spent up to now is 281.9 secs Computing kpt #: 274 total cpu time spent up to now is 282.7 secs Computing kpt #: 275 total cpu time spent up to now is 283.4 secs Computing kpt #: 276 total cpu time spent up to now is 284.2 secs Computing kpt #: 277 total cpu time spent up to now is 284.9 secs Computing kpt #: 278 total cpu time spent up to now is 285.7 secs Computing kpt #: 279 total cpu time spent up to now is 286.4 secs Computing kpt #: 280 total cpu time spent up to now is 287.2 secs Computing kpt #: 281 total cpu time spent up to now is 287.9 secs Computing kpt #: 282 total cpu time spent up to now is 288.7 secs Computing kpt #: 283 total cpu time spent up to now is 289.4 secs Computing kpt #: 284 total cpu time spent up to now is 290.2 secs Computing kpt #: 285 total cpu time spent up to now is 291.1 secs Computing kpt #: 286 total cpu time spent up to now is 291.9 secs Computing kpt #: 287 total cpu time spent up to now is 292.7 secs Computing kpt #: 288 total cpu time spent up to now is 293.7 secs Computing kpt #: 289 total cpu time spent up to now is 294.7 secs Computing kpt #: 290 total cpu time spent up to now is 295.7 secs Computing kpt #: 291 total cpu time spent up to now is 296.9 secs Computing kpt #: 292 total cpu time spent up to now is 298.2 secs Computing kpt #: 293 total cpu time spent up to now is 299.8 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.6 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.5 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.4 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.2 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.0 secs Computing kpt #: 299 total cpu time spent up to now is 310.2 secs Computing kpt #: 300 total cpu time spent up to now is 311.6 secs Computing kpt #: 301 total cpu time spent up to now is 312.8 secs Computing kpt #: 302 total cpu time spent up to now is 313.9 secs Computing kpt #: 303 total cpu time spent up to now is 315.2 secs Computing kpt #: 304 total cpu time spent up to now is 316.9 secs Computing kpt #: 305 total cpu time spent up to now is 318.2 secs Computing kpt #: 306 total cpu time spent up to now is 319.4 secs Computing kpt #: 307 total cpu time spent up to now is 320.4 secs Computing kpt #: 308 total cpu time spent up to now is 321.4 secs Computing kpt #: 309 total cpu time spent up to now is 322.4 secs Computing kpt #: 310 total cpu time spent up to now is 323.3 secs Computing kpt #: 311 total cpu time spent up to now is 324.2 secs Computing kpt #: 312 total cpu time spent up to now is 325.3 secs Computing kpt #: 313 total cpu time spent up to now is 326.5 secs Computing kpt #: 314 total cpu time spent up to now is 327.8 secs Computing kpt #: 315 total cpu time spent up to now is 329.0 secs Computing kpt #: 316 total cpu time spent up to now is 330.2 secs Computing kpt #: 317 total cpu time spent up to now is 331.5 secs Computing kpt #: 318 total cpu time spent up to now is 333.1 secs Computing kpt #: 319 total cpu time spent up to now is 334.3 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.1 secs Computing kpt #: 321 total cpu time spent up to now is 336.9 secs ethr = 2.08E-08, avg # of iterations = 50.0 total cpu time spent up to now is 336.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3783 PWs) bands (ev): -31.4312 -31.4312 -31.4030 -31.4030 -12.8066 -12.8066 -12.7020 -12.7020 -12.4564 -12.4564 -12.4064 -12.4064 -12.3331 -12.3331 -12.3200 -12.3200 -5.8927 -5.8927 -3.8783 -3.8783 -2.2347 -2.2347 -2.2344 -2.2344 1.1813 1.1813 1.7947 1.7947 2.8478 2.8478 2.8511 2.8511 3.1734 3.1734 4.8625 4.8625 5.5902 5.5902 6.8813 6.8813 6.9011 6.9011 7.6217 7.6217 8.0246 8.0246 8.0310 8.0310 10.1477 10.1477 11.6969 11.6969 12.0545 12.0545 12.0586 12.0586 12.8945 12.8945 k = 0.0000 0.0000 0.0166 ( 3783 PWs) bands (ev): -31.4312 -31.4312 -31.4030 -31.4030 -12.8066 -12.8066 -12.7020 -12.7020 -12.4564 -12.4564 -12.4063 -12.4063 -12.3332 -12.3332 -12.3201 -12.3201 -5.8917 -5.8917 -3.8808 -3.8808 -2.2344 -2.2344 -2.2318 -2.2318 1.1772 1.1772 1.7872 1.7872 2.8498 2.8498 2.8635 2.8635 3.1750 3.1750 4.8631 4.8631 5.5854 5.5854 6.8829 6.8829 6.9043 6.9043 7.6174 7.6174 8.0211 8.0211 8.0292 8.0292 10.1490 10.1490 11.6547 11.6547 12.0573 12.0573 12.1005 12.1005 12.8944 12.8944 k = 0.0000 0.0000 0.0333 ( 3787 PWs) bands (ev): -31.4311 -31.4311 -31.4031 -31.4031 -12.8065 -12.8065 -12.7022 -12.7022 -12.4564 -12.4564 -12.4061 -12.4061 -12.3333 -12.3333 -12.3204 -12.3204 -5.8886 -5.8886 -3.8881 -3.8881 -2.2344 -2.2344 -2.2231 -2.2231 1.1650 1.1650 1.7664 1.7664 2.8520 2.8520 2.9032 2.9032 3.1798 3.1798 4.8648 4.8648 5.5716 5.5716 6.8815 6.8815 6.9196 6.9196 7.6049 7.6049 8.0069 8.0069 8.0276 8.0276 10.1527 10.1527 11.5613 11.5613 12.0600 12.0600 12.1987 12.1987 12.8941 12.8941 k = 0.0000 0.0000 0.0499 ( 3791 PWs) bands (ev): -31.4311 -31.4311 -31.4031 -31.4031 -12.8065 -12.8065 -12.7025 -12.7025 -12.4564 -12.4564 -12.4057 -12.4057 -12.3334 -12.3334 -12.3210 -12.3210 -5.8835 -5.8835 -3.9002 -3.9002 -2.2345 -2.2345 -2.2090 -2.2090 1.1440 1.1440 1.7370 1.7370 2.8553 2.8553 2.9651 2.9651 3.1877 3.1877 4.8676 4.8676 5.5493 5.5493 6.8741 6.8741 6.9494 6.9494 7.5845 7.5845 7.9818 7.9818 8.0260 8.0260 10.1589 10.1589 11.4507 11.4507 12.0644 12.0644 12.3175 12.3175 12.8935 12.8935 k = 0.0000 0.0000 0.0665 ( 3787 PWs) bands (ev): -31.4310 -31.4310 -31.4032 -31.4032 -12.8064 -12.8064 -12.7029 -12.7029 -12.4565 -12.4565 -12.4052 -12.4052 -12.3336 -12.3336 -12.3217 -12.3217 -5.8764 -5.8764 -3.9165 -3.9165 -2.2346 -2.2346 -2.1899 -2.1899 1.1136 1.1136 1.7043 1.7043 2.8600 2.8600 3.0442 3.0442 3.1988 3.1988 4.8715 4.8715 5.5199 5.5199 6.8623 6.8623 6.9909 6.9909 7.5567 7.5567 7.9468 7.9468 8.0234 8.0234 10.1675 10.1675 11.3347 11.3347 12.0706 12.0706 12.4449 12.4449 12.8926 12.8926 k = 0.0000 0.0000 0.0832 ( 3791 PWs) bands (ev): -31.4309 -31.4309 -31.4033 -31.4033 -12.8063 -12.8063 -12.7035 -12.7035 -12.4565 -12.4565 -12.4045 -12.4045 -12.3341 -12.3341 -12.3225 -12.3225 -5.8673 -5.8673 -3.9368 -3.9368 -2.2348 -2.2348 -2.1665 -2.1665 1.0737 1.0737 1.6730 1.6730 2.8661 2.8661 3.1364 3.1364 3.2130 3.2130 4.8765 4.8765 5.4845 5.4845 6.8469 6.8469 7.0420 7.0420 7.5221 7.5221 7.9022 7.9022 8.0192 8.0192 10.1784 10.1784 11.2175 11.2175 12.0786 12.0786 12.5768 12.5768 12.8913 12.8913 k = 0.0000 0.0000 0.0998 ( 3793 PWs) bands (ev): -31.4308 -31.4308 -31.4034 -31.4034 -12.8062 -12.8062 -12.7041 -12.7041 -12.4567 -12.4567 -12.4037 -12.4037 -12.3347 -12.3347 -12.3233 -12.3233 -5.8562 -5.8562 -3.9605 -3.9605 -2.2349 -2.2349 -2.1393 -2.1393 1.0249 1.0249 1.6460 1.6460 2.8736 2.8736 3.2302 3.2302 3.2382 3.2382 4.8826 4.8826 5.4444 5.4444 6.8282 6.8282 7.1014 7.1014 7.4815 7.4815 7.8484 7.8484 8.0131 8.0131 10.1916 10.1916 11.1009 11.1009 12.0884 12.0884 12.7114 12.7114 12.8894 12.8894 k = 0.0000 0.0000 0.1164 ( 3791 PWs) bands (ev): -31.4306 -31.4306 -31.4035 -31.4035 -12.8060 -12.8060 -12.7049 -12.7049 -12.4568 -12.4568 -12.4026 -12.4026 -12.3356 -12.3356 -12.3240 -12.3240 -5.8431 -5.8431 -3.9873 -3.9873 -2.2351 -2.2351 -2.1093 -2.1093 0.9686 0.9686 1.6247 1.6247 2.8826 2.8826 3.2503 3.2503 3.3470 3.3470 4.8898 4.8898 5.4009 5.4009 6.8064 6.8064 7.1676 7.1676 7.4353 7.4353 7.7859 7.7859 8.0046 8.0046 10.2071 10.2071 10.9856 10.9856 12.1000 12.1000 12.8479 12.8479 12.8871 12.8871 k = 0.0000 0.0000 0.1331 ( 3789 PWs) bands (ev): -31.4304 -31.4304 -31.4037 -31.4037 -12.8059 -12.8059 -12.7058 -12.7058 -12.4569 -12.4569 -12.4014 -12.4014 -12.3369 -12.3369 -12.3246 -12.3246 -5.8280 -5.8280 -4.0165 -4.0165 -2.2354 -2.2354 -2.0773 -2.0773 0.9070 0.9070 1.6091 1.6091 2.8930 2.8930 3.2733 3.2733 3.4610 3.4610 4.8980 4.8980 5.3548 5.3548 6.7817 6.7817 7.2397 7.2397 7.3841 7.3841 7.7151 7.7151 7.9935 7.9935 10.2246 10.2246 10.8724 10.8724 12.1134 12.1134 12.8836 12.8836 12.9859 12.9859 k = 0.0000 0.0000 0.1497 ( 3793 PWs) bands (ev): -31.4303 -31.4303 -31.4039 -31.4039 -12.8057 -12.8057 -12.7068 -12.7068 -12.4572 -12.4572 -12.4000 -12.4000 -12.3386 -12.3386 -12.3249 -12.3249 -5.8110 -5.8110 -4.0478 -4.0478 -2.2356 -2.2356 -2.0443 -2.0443 0.8423 0.8423 1.5986 1.5986 2.9050 2.9050 3.2991 3.2991 3.5787 3.5787 4.9073 4.9073 5.3071 5.3071 6.7543 6.7543 7.3164 7.3164 7.3286 7.3286 7.6365 7.6365 7.9796 7.9796 10.2442 10.2442 10.7615 10.7615 12.1287 12.1287 12.8796 12.8796 13.1246 13.1246 k = 0.0000 0.0000 0.1663 ( 3795 PWs) bands (ev): -31.4300 -31.4300 -31.4041 -31.4041 -12.8056 -12.8056 -12.7079 -12.7079 -12.4574 -12.4574 -12.3984 -12.3984 -12.3407 -12.3407 -12.3251 -12.3251 -5.7921 -5.7921 -4.0807 -4.0807 -2.2359 -2.2359 -2.0113 -2.0113 0.7769 0.7769 1.5925 1.5925 2.9185 2.9185 3.3277 3.3277 3.6990 3.6990 4.9175 4.9175 5.2583 5.2583 6.7245 6.7245 7.2689 7.2689 7.3973 7.3973 7.5508 7.5508 7.9628 7.9628 10.2656 10.2656 10.6535 10.6535 12.1458 12.1458 12.8747 12.8747 13.2638 13.2638 k = 0.0000 0.0000 0.1830 ( 3795 PWs) bands (ev): -31.4298 -31.4298 -31.4043 -31.4043 -12.8054 -12.8054 -12.7092 -12.7092 -12.4578 -12.4578 -12.3967 -12.3967 -12.3431 -12.3431 -12.3251 -12.3251 -5.7714 -5.7714 -4.1148 -4.1148 -2.2362 -2.2362 -1.9793 -1.9793 0.7129 0.7129 1.5899 1.5899 2.9335 2.9335 3.3589 3.3589 3.8209 3.8209 4.9287 4.9287 5.2090 5.2090 6.6924 6.6924 7.2057 7.2057 7.4583 7.4583 7.4812 7.4812 7.9430 7.9430 10.2887 10.2887 10.5486 10.5486 12.1648 12.1648 12.8690 12.8690 13.4033 13.4033 k = 0.0000 0.0000 0.1996 ( 3795 PWs) bands (ev): -31.4296 -31.4296 -31.4045 -31.4045 -12.8053 -12.8053 -12.7105 -12.7105 -12.4582 -12.4582 -12.3947 -12.3947 -12.3458 -12.3458 -12.3249 -12.3249 -5.7488 -5.7488 -4.1497 -4.1497 -2.2365 -2.2365 -1.9494 -1.9494 0.6522 0.6522 1.5901 1.5901 2.9502 2.9502 3.3926 3.3926 3.9439 3.9439 4.9409 4.9409 5.1597 5.1597 6.6583 6.6583 7.1393 7.1393 7.3598 7.3598 7.5676 7.5676 7.9201 7.9201 10.3134 10.3134 10.4471 10.4471 12.1857 12.1857 12.8627 12.8627 13.5428 13.5428 k = 0.0000 0.0000 0.2162 ( 3801 PWs) bands (ev): -31.4293 -31.4293 -31.4047 -31.4047 -12.8051 -12.8051 -12.7121 -12.7121 -12.4586 -12.4586 -12.3926 -12.3926 -12.3488 -12.3488 -12.3247 -12.3247 -5.7244 -5.7244 -4.1852 -4.1852 -2.2369 -2.2369 -1.9227 -1.9227 0.5966 0.5966 1.5927 1.5927 2.9684 2.9684 3.4288 3.4288 4.0672 4.0672 4.9539 4.9539 5.1107 5.1107 6.6224 6.6224 7.0701 7.0701 7.2558 7.2558 7.6557 7.6557 7.8943 7.8943 10.3393 10.3393 10.3499 10.3499 12.2085 12.2085 12.8560 12.8560 13.6632 13.6633 k = 0.0000 0.0000 0.2329 ( 3797 PWs) bands (ev): -31.4291 -31.4291 -31.4050 -31.4050 -12.8050 -12.8050 -12.7137 -12.7137 -12.4591 -12.4591 -12.3903 -12.3903 -12.3519 -12.3519 -12.3243 -12.3243 -5.6984 -5.6984 -4.2209 -4.2209 -2.2373 -2.2373 -1.9004 -1.9004 0.5476 0.5476 1.5972 1.5972 2.9882 2.9882 3.4674 3.4674 4.1903 4.1903 4.9678 4.9678 5.0624 5.0624 6.5851 6.5851 6.9984 6.9984 7.1468 7.1468 7.7448 7.7448 7.8655 7.8655 10.2565 10.2565 10.3670 10.3670 12.2332 12.2332 12.8494 12.8494 13.6475 13.6475 k = 0.0000 0.0000 0.2495 ( 3805 PWs) bands (ev): -31.4288 -31.4288 -31.4052 -31.4052 -12.8049 -12.8049 -12.7154 -12.7154 -12.4597 -12.4597 -12.3878 -12.3878 -12.3551 -12.3551 -12.3239 -12.3239 -5.6706 -5.6706 -4.2567 -4.2567 -2.2377 -2.2377 -1.8834 -1.8834 0.5066 0.5066 1.6032 1.6032 3.0095 3.0095 3.5083 3.5083 4.3126 4.3126 4.9821 4.9821 5.0152 5.0152 6.5464 6.5464 6.9246 6.9246 7.0334 7.0334 7.8335 7.8335 7.8344 7.8344 10.1685 10.1685 10.3953 10.3953 12.2598 12.2598 12.8431 12.8431 13.6361 13.6361 k = 0.0000 0.0000 0.2661 ( 3811 PWs) bands (ev): -31.4285 -31.4285 -31.4055 -31.4055 -12.8048 -12.8048 -12.7173 -12.7173 -12.4603 -12.4603 -12.3853 -12.3853 -12.3585 -12.3585 -12.3235 -12.3235 -5.6412 -5.6412 -4.2922 -4.2922 -2.2381 -2.2381 -1.8729 -1.8729 0.4748 0.4748 1.6104 1.6104 3.0324 3.0324 3.5514 3.5514 4.4336 4.4336 4.9673 4.9673 4.9989 4.9989 6.5068 6.5068 6.8489 6.8489 6.9163 6.9163 7.7992 7.7992 7.9229 7.9229 10.0862 10.0862 10.4246 10.4246 12.2882 12.2882 12.8378 12.8378 13.6290 13.6290 k = 0.0000 0.0000 0.2828 ( 3815 PWs) bands (ev): -31.4282 -31.4282 -31.4058 -31.4058 -12.8048 -12.8048 -12.7193 -12.7193 -12.4609 -12.4609 -12.3825 -12.3825 -12.3618 -12.3618 -12.3230 -12.3230 -5.6103 -5.6103 -4.3273 -4.3273 -2.2385 -2.2385 -1.8694 -1.8694 0.4532 0.4532 1.6187 1.6187 3.0568 3.0568 3.5965 3.5965 4.5528 4.5528 4.9223 4.9223 5.0148 5.0148 6.4665 6.4665 6.7717 6.7717 6.7961 6.7961 7.7619 7.7619 8.0098 8.0098 10.0105 10.0105 10.4546 10.4546 12.3186 12.3186 12.8341 12.8341 13.6260 13.6260 k = 0.0000 0.0000 0.2994 ( 3815 PWs) bands (ev): -31.4279 -31.4279 -31.4061 -31.4061 -12.8047 -12.8047 -12.7213 -12.7213 -12.4617 -12.4617 -12.3796 -12.3796 -12.3652 -12.3652 -12.3224 -12.3224 -5.5779 -5.5779 -4.3618 -4.3618 -2.2389 -2.2389 -1.8737 -1.8737 0.4424 0.4424 1.6278 1.6278 3.0828 3.0828 3.6437 3.6437 4.6696 4.6696 4.8782 4.8782 5.0316 5.0316 6.4256 6.4256 6.6732 6.6732 6.6935 6.6935 7.7220 7.7220 8.0938 8.0938 9.9426 9.9426 10.4851 10.4851 12.3508 12.3508 12.8326 12.8326 13.6269 13.6269 k = 0.0000 0.0000 0.3160 ( 3803 PWs) bands (ev): -31.4276 -31.4276 -31.4063 -31.4063 -12.8047 -12.8047 -12.7234 -12.7234 -12.4624 -12.4624 -12.3766 -12.3766 -12.3686 -12.3686 -12.3218 -12.3218 -5.5441 -5.5441 -4.3956 -4.3956 -2.2394 -2.2394 -1.8860 -1.8860 0.4427 0.4427 1.6376 1.6376 3.1102 3.1102 3.6927 3.6927 4.7833 4.7833 4.8355 4.8355 5.0490 5.0490 6.3845 6.3845 6.5488 6.5488 6.6142 6.6142 7.6796 7.6796 8.1732 8.1732 9.8840 9.8840 10.5159 10.5159 12.3850 12.3850 12.8337 12.8337 13.6313 13.6313 k = 0.0000 0.0000 0.3327 ( 3803 PWs) bands (ev): -31.4273 -31.4273 -31.4066 -31.4066 -12.8047 -12.8047 -12.7256 -12.7256 -12.4632 -12.4632 -12.3735 -12.3735 -12.3720 -12.3720 -12.3212 -12.3212 -5.5089 -5.5089 -4.4286 -4.4286 -2.2398 -2.2398 -1.9061 -1.9061 0.4542 0.4542 1.6479 1.6479 3.1390 3.1390 3.7434 3.7434 4.7942 4.7942 4.8932 4.8932 5.0670 5.0670 6.3433 6.3433 6.4235 6.4235 6.5343 6.5343 7.6349 7.6349 8.2464 8.2464 9.8361 9.8361 10.5470 10.5470 12.4209 12.4209 12.8381 12.8381 13.6390 13.6390 k = 0.0000 0.0000 0.3493 ( 3804 PWs) bands (ev): -31.4270 -31.4270 -31.4069 -31.4069 -12.8048 -12.8048 -12.7280 -12.7280 -12.4640 -12.4640 -12.3753 -12.3753 -12.3703 -12.3703 -12.3207 -12.3207 -5.4726 -5.4726 -4.4607 -4.4607 -2.2403 -2.2403 -1.9338 -1.9338 0.4765 0.4765 1.6587 1.6587 3.1692 3.1692 3.7957 3.7957 4.7545 4.7545 4.9982 4.9982 5.0854 5.0854 6.2985 6.2985 6.3023 6.3023 6.4540 6.4540 7.5879 7.5879 8.3113 8.3113 9.8010 9.8010 10.5780 10.5780 12.4587 12.4587 12.8461 12.8461 13.6496 13.6496 k = 0.0000 0.0000 0.3659 ( 3808 PWs) bands (ev): -31.4267 -31.4267 -31.4072 -31.4072 -12.8048 -12.8048 -12.7303 -12.7303 -12.4648 -12.4648 -12.3786 -12.3786 -12.3671 -12.3671 -12.3201 -12.3201 -5.4351 -5.4351 -4.4917 -4.4917 -2.2407 -2.2407 -1.9685 -1.9685 0.5090 0.5090 1.6697 1.6697 3.2007 3.2007 3.8495 3.8495 4.7164 4.7164 5.0962 5.0962 5.1045 5.1045 6.1755 6.1755 6.2618 6.2618 6.3736 6.3736 7.5389 7.5389 8.3657 8.3657 9.7806 9.7806 10.6091 10.6091 12.4982 12.4982 12.8583 12.8583 13.6628 13.6628 k = 0.0000 0.0000 0.3826 ( 3796 PWs) bands (ev): -31.4263 -31.4263 -31.4075 -31.4075 -12.8049 -12.8049 -12.7327 -12.7327 -12.4656 -12.4656 -12.3817 -12.3817 -12.3638 -12.3638 -12.3194 -12.3194 -5.3967 -5.3967 -4.5215 -4.5215 -2.2412 -2.2412 -2.0094 -2.0094 0.5510 0.5510 1.6809 1.6809 3.2334 3.2334 3.9045 3.9045 4.6800 4.6800 5.1232 5.1232 5.1855 5.1855 6.0575 6.0575 6.2219 6.2219 6.2934 6.2934 7.4881 7.4881 8.4081 8.4081 9.7766 9.7766 10.6399 10.6399 12.5396 12.5396 12.8747 12.8747 13.6784 13.6784 k = 0.0000 0.0000 0.3992 ( 3798 PWs) bands (ev): -31.4260 -31.4260 -31.4078 -31.4078 -12.8051 -12.8051 -12.7351 -12.7351 -12.4665 -12.4665 -12.3848 -12.3848 -12.3606 -12.3606 -12.3188 -12.3188 -5.3574 -5.3574 -4.5502 -4.5502 -2.2416 -2.2416 -2.0556 -2.0556 0.6016 0.6016 1.6922 1.6922 3.2672 3.2672 3.9607 3.9607 4.6452 4.6452 5.1425 5.1425 5.2595 5.2595 5.9500 5.9500 6.1828 6.1828 6.2136 6.2136 7.4357 7.4357 8.4371 8.4371 9.7898 9.7898 10.6704 10.6704 12.5827 12.5827 12.8956 12.8956 13.6961 13.6961 k = 0.0000 0.0000 0.4158 ( 3806 PWs) bands (ev): -31.4257 -31.4257 -31.4081 -31.4081 -12.8053 -12.8053 -12.7376 -12.7376 -12.4673 -12.4673 -12.3878 -12.3878 -12.3574 -12.3574 -12.3182 -12.3182 -5.3174 -5.3174 -4.5776 -4.5776 -2.2421 -2.2421 -2.1061 -2.1061 0.6598 0.6598 1.7035 1.7035 3.3020 3.3020 4.0177 4.0177 4.6122 4.6122 5.1618 5.1618 5.3080 5.3080 5.8637 5.8637 6.1343 6.1343 6.1448 6.1448 7.3819 7.3819 8.4528 8.4528 9.8202 9.8202 10.7006 10.7006 12.6274 12.6274 12.9210 12.9210 13.7158 13.7158 k = 0.0000 0.0000 0.4325 ( 3814 PWs) bands (ev): -31.4254 -31.4254 -31.4084 -31.4084 -12.8055 -12.8055 -12.7400 -12.7400 -12.4682 -12.4682 -12.3906 -12.3906 -12.3542 -12.3542 -12.3176 -12.3176 -5.2769 -5.2769 -4.6037 -4.6037 -2.2425 -2.2425 -2.1600 -2.1600 0.7246 0.7246 1.7147 1.7147 3.3377 3.3377 4.0753 4.0753 4.5810 4.5810 5.1810 5.1810 5.3145 5.3145 5.8154 5.8154 6.0562 6.0562 6.1079 6.1079 7.3270 7.3270 8.4561 8.4561 9.8666 9.8666 10.7304 10.7304 12.6738 12.6738 12.9509 12.9509 13.7371 13.7372 k = 0.0000 0.0000 0.4491 ( 3818 PWs) bands (ev): -31.4251 -31.4251 -31.4086 -31.4086 -12.8056 -12.8056 -12.7425 -12.7425 -12.4690 -12.4690 -12.3933 -12.3933 -12.3511 -12.3511 -12.3170 -12.3170 -5.2361 -5.2361 -4.6284 -4.6284 -2.2430 -2.2430 -2.2164 -2.2164 0.7950 0.7950 1.7257 1.7257 3.3742 3.3742 4.1333 4.1333 4.5515 4.5515 5.2001 5.2001 5.2698 5.2698 5.8142 5.8142 5.9793 5.9793 6.0724 6.0724 7.2713 7.2713 8.4490 8.4490 9.9269 9.9269 10.7596 10.7596 12.7218 12.7218 12.9850 12.9850 13.7599 13.7600 k = 0.0000 0.0000 0.4657 ( 3816 PWs) bands (ev): -31.4248 -31.4248 -31.4089 -31.4089 -12.8058 -12.8058 -12.7449 -12.7449 -12.4698 -12.4698 -12.3958 -12.3958 -12.3480 -12.3480 -12.3165 -12.3165 -5.1952 -5.1952 -4.6516 -4.6516 -2.2743 -2.2743 -2.2434 -2.2434 0.8700 0.8700 1.7364 1.7364 3.4113 3.4113 4.1914 4.1914 4.5239 4.5239 5.1867 5.1867 5.2189 5.2189 5.8478 5.8478 5.9039 5.9039 6.0385 6.0385 7.2151 7.2151 8.4335 8.4335 9.9987 9.9987 10.7883 10.7883 12.7714 12.7714 13.0232 13.0232 13.7841 13.7841 k = 0.0000 0.0000 0.4824 ( 3816 PWs) bands (ev): -31.4246 -31.4246 -31.4092 -31.4092 -12.8060 -12.8060 -12.7472 -12.7472 -12.4705 -12.4705 -12.3982 -12.3982 -12.3451 -12.3451 -12.3159 -12.3159 -5.1544 -5.1544 -4.6734 -4.6734 -2.3329 -2.3329 -2.2438 -2.2438 0.9486 0.9486 1.7468 1.7468 3.4487 3.4487 4.2493 4.2493 4.4981 4.4981 5.0833 5.0833 5.2373 5.2373 5.8303 5.8303 5.8984 5.8984 6.0063 6.0063 7.1588 7.1588 8.4120 8.4120 10.0791 10.0791 10.8163 10.8163 12.8225 12.8225 13.0650 13.0650 13.8092 13.8092 k = 0.0000 0.0000 0.4990 ( 3816 PWs) bands (ev): -31.4243 -31.4243 -31.4094 -31.4094 -12.8062 -12.8062 -12.7495 -12.7495 -12.4713 -12.4713 -12.4004 -12.4004 -12.3422 -12.3422 -12.3154 -12.3154 -5.1141 -5.1141 -4.6936 -4.6936 -2.3914 -2.3914 -2.2441 -2.2441 1.0300 1.0300 1.7567 1.7567 3.4862 3.4862 4.3066 4.3066 4.4742 4.4742 4.9710 4.9710 5.2551 5.2551 5.7590 5.7590 5.9547 5.9547 5.9759 5.9759 7.1028 7.1028 8.3865 8.3865 10.1659 10.1659 10.8435 10.8435 12.8750 12.8750 13.1098 13.1098 13.8347 13.8347 k = 0.0000 0.0000 0.5156 ( 3814 PWs) bands (ev): -31.4241 -31.4241 -31.4096 -31.4096 -12.8064 -12.8064 -12.7517 -12.7517 -12.4719 -12.4719 -12.4024 -12.4024 -12.3395 -12.3395 -12.3150 -12.3150 -5.0746 -5.0746 -4.7123 -4.7123 -2.4491 -2.4491 -2.2445 -2.2445 1.1130 1.1130 1.7662 1.7662 3.5236 3.5236 4.3628 4.3628 4.4522 4.4522 4.8557 4.8557 5.2723 5.2723 5.6902 5.6902 5.9474 5.9474 6.0116 6.0116 7.0475 7.0475 8.3587 8.3587 10.2568 10.2568 10.8698 10.8698 12.9288 12.9288 13.1571 13.1571 13.8367 13.8368 k = 0.0000 0.0000 0.5323 ( 3818 PWs) bands (ev): -31.4239 -31.4239 -31.4098 -31.4098 -12.8066 -12.8066 -12.7537 -12.7537 -12.4726 -12.4726 -12.4043 -12.4043 -12.3369 -12.3369 -12.3145 -12.3145 -5.0361 -5.0361 -4.7295 -4.7295 -2.5051 -2.5051 -2.2448 -2.2448 1.1968 1.1968 1.7751 1.7751 3.5605 3.5605 4.4169 4.4169 4.4326 4.4326 4.7406 4.7406 5.2886 5.2886 5.6244 5.6244 5.9210 5.9210 6.0662 6.0662 6.9934 6.9934 8.3299 8.3299 10.3496 10.3496 10.8949 10.8949 12.9840 12.9840 13.2061 13.2061 13.8195 13.8195 k = 0.0000 0.0000 0.5489 ( 3826 PWs) bands (ev): -31.4237 -31.4237 -31.4100 -31.4100 -12.8068 -12.8068 -12.7557 -12.7557 -12.4732 -12.4732 -12.4060 -12.4060 -12.3346 -12.3346 -12.3141 -12.3141 -4.9992 -4.9992 -4.7450 -4.7450 -2.5588 -2.5588 -2.2451 -2.2451 1.2800 1.2800 1.7834 1.7834 3.5966 3.5966 4.4135 4.4135 4.4704 4.4704 4.6281 4.6281 5.3039 5.3039 5.5620 5.5620 5.8969 5.8969 6.1173 6.1173 6.9412 6.9412 8.3015 8.3015 10.4425 10.4425 10.9188 10.9188 13.0403 13.0403 13.2560 13.2560 13.8035 13.8035 k = 0.0000 0.0000 0.5656 ( 3826 PWs) bands (ev): -31.4235 -31.4235 -31.4102 -31.4102 -12.8070 -12.8070 -12.7575 -12.7575 -12.4737 -12.4737 -12.4075 -12.4075 -12.3324 -12.3324 -12.3138 -12.3138 -4.9643 -4.9643 -4.7588 -4.7588 -2.6095 -2.6095 -2.2454 -2.2454 1.3616 1.3616 1.7910 1.7910 3.6313 3.6313 4.3972 4.3972 4.5197 4.5197 4.5204 4.5204 5.3181 5.3181 5.5036 5.5036 5.8750 5.8750 6.1640 6.1640 6.8915 6.8915 8.2741 8.2741 10.5337 10.5337 10.9412 10.9412 13.0977 13.0977 13.3058 13.3058 13.7890 13.7890 k = 0.0000 0.0000 0.5822 ( 3818 PWs) bands (ev): -31.4233 -31.4233 -31.4103 -31.4103 -12.8072 -12.8072 -12.7590 -12.7590 -12.4742 -12.4742 -12.4088 -12.4088 -12.3304 -12.3304 -12.3134 -12.3134 -4.9319 -4.9319 -4.7709 -4.7709 -2.6564 -2.6564 -2.2456 -2.2456 1.4402 1.4402 1.7979 1.7979 3.6642 3.6642 4.3828 4.3828 4.4173 4.4173 4.5670 4.5670 5.3310 5.3310 5.4498 5.4498 5.8554 5.8554 6.2058 6.2058 6.8449 6.8449 8.2485 8.2485 10.6212 10.6212 10.9618 10.9618 13.1561 13.1561 13.3543 13.3543 13.7760 13.7760 k = 0.0000 0.0000 0.5988 ( 3816 PWs) bands (ev): -31.4232 -31.4232 -31.4105 -31.4105 -12.8073 -12.8073 -12.7604 -12.7604 -12.4746 -12.4746 -12.4100 -12.4100 -12.3287 -12.3287 -12.3131 -12.3131 -4.9026 -4.9026 -4.7812 -4.7812 -2.6989 -2.6989 -2.2459 -2.2459 1.5141 1.5141 1.8042 1.8042 3.6947 3.6947 4.3225 4.3225 4.3703 4.3703 4.6097 4.6097 5.3425 5.3425 5.4011 5.4011 5.8384 5.8384 6.2423 6.2423 6.8022 6.8022 8.2254 8.2254 10.7031 10.7031 10.9804 10.9804 13.2154 13.2154 13.4004 13.4004 13.7647 13.7647 k = 0.0000 0.0000 0.6155 ( 3808 PWs) bands (ev): -31.4230 -31.4230 -31.4106 -31.4106 -12.8074 -12.8074 -12.7617 -12.7617 -12.4749 -12.4749 -12.4109 -12.4109 -12.3272 -12.3272 -12.3129 -12.3129 -4.8770 -4.8770 -4.7895 -4.7895 -2.7362 -2.7362 -2.2460 -2.2460 1.5815 1.5815 1.8097 1.8097 3.7221 3.7221 4.2371 4.2371 4.3597 4.3597 4.6475 4.6475 5.3523 5.3523 5.3585 5.3585 5.8238 5.8238 6.2734 6.2734 6.7641 6.7641 8.2051 8.2051 10.7775 10.7775 10.9967 10.9967 13.2753 13.2753 13.4428 13.4428 13.7551 13.7551 k = 0.0000 0.0000 0.6321 ( 3812 PWs) bands (ev): -31.4229 -31.4229 -31.4107 -31.4107 -12.8076 -12.8076 -12.7627 -12.7627 -12.4752 -12.4752 -12.4117 -12.4117 -12.3260 -12.3260 -12.3127 -12.3127 -4.8560 -4.8560 -4.7955 -4.7955 -2.7678 -2.7678 -2.2462 -2.2462 1.6405 1.6405 1.8145 1.8145 3.7458 3.7458 4.1631 4.1631 4.3510 4.3510 4.6798 4.6798 5.3220 5.3220 5.3608 5.3608 5.8118 5.8118 6.2990 6.2990 6.7316 6.7316 8.1881 8.1881 10.8422 10.8422 11.0104 11.0104 13.3357 13.3357 13.4799 13.4799 13.7470 13.7471 k = 0.0000 0.0000 0.6487 ( 3808 PWs) bands (ev): -31.4229 -31.4229 -31.4107 -31.4107 -12.8077 -12.8077 -12.7635 -12.7635 -12.4755 -12.4755 -12.4123 -12.4123 -12.3251 -12.3251 -12.3125 -12.3125 -4.8406 -4.8406 -4.7986 -4.7986 -2.7931 -2.7931 -2.2463 -2.2463 1.6890 1.6890 1.8187 1.8187 3.7652 3.7652 4.1026 4.1026 4.3442 4.3442 4.7058 4.7058 5.2929 5.2929 5.3674 5.3674 5.8024 5.8024 6.3189 6.3189 6.7053 6.7053 8.1745 8.1745 10.8953 10.8953 11.0214 11.0214 13.3962 13.3962 13.5107 13.5107 13.7407 13.7407 k = 0.0000 0.0000 0.6654 ( 3806 PWs) bands (ev): -31.4228 -31.4228 -31.4108 -31.4108 -12.8077 -12.8077 -12.7640 -12.7640 -12.4757 -12.4757 -12.4127 -12.4127 -12.3244 -12.3244 -12.3123 -12.3123 -4.8318 -4.8318 -4.7984 -4.7984 -2.8116 -2.8116 -2.2464 -2.2464 1.7248 1.7248 1.8222 1.8222 3.7795 3.7795 4.0576 4.0576 4.3394 4.3394 4.7249 4.7249 5.2716 5.2716 5.3722 5.3722 5.7957 5.7957 6.3332 6.3332 6.6860 6.6860 8.1647 8.1647 10.9348 10.9348 11.0294 11.0294 13.4564 13.4564 13.5337 13.5337 13.7044 13.7044 k = 0.0000 0.0000 0.6820 ( 3804 PWs) bands (ev): -31.4228 -31.4228 -31.4108 -31.4108 -12.8078 -12.8078 -12.7644 -12.7644 -12.4758 -12.4758 -12.4130 -12.4130 -12.3239 -12.3239 -12.3123 -12.3123 -4.8282 -4.8282 -4.7963 -4.7963 -2.8228 -2.8228 -2.2465 -2.2465 1.7466 1.7466 1.8249 1.8249 3.7883 3.7883 4.0298 4.0298 4.3365 4.3365 4.7366 4.7366 5.2587 5.2587 5.3751 5.3751 5.7917 5.7917 6.3418 6.3418 6.6741 6.6741 8.1588 8.1588 10.9592 10.9592 11.0342 11.0342 13.5145 13.5145 13.5479 13.5479 13.6486 13.6486 k = 0.0000 0.0000 0.6986 ( 3816 PWs) bands (ev): -31.4227 -31.4227 -31.4108 -31.4108 -12.8078 -12.8078 -12.7645 -12.7645 -12.4758 -12.4758 -12.4131 -12.4131 -12.3238 -12.3238 -12.3123 -12.3123 -4.8274 -4.8274 -4.7953 -4.7953 -2.8266 -2.8266 -2.2465 -2.2465 1.7538 1.7538 1.8260 1.8260 3.7913 3.7913 4.0204 4.0204 4.3355 4.3355 4.7405 4.7405 5.2543 5.2543 5.3760 5.3760 5.7903 5.7903 6.3446 6.3446 6.6701 6.6701 8.1568 8.1568 10.9674 10.9674 11.0358 11.0358 13.5525 13.5525 13.5532 13.5532 13.6107 13.6108 k = 0.0000 0.0000 0.6986 ( 3816 PWs) bands (ev): -31.4227 -31.4227 -31.4108 -31.4108 -12.8078 -12.8078 -12.7645 -12.7645 -12.4758 -12.4758 -12.4131 -12.4131 -12.3238 -12.3238 -12.3123 -12.3123 -4.8274 -4.8274 -4.7953 -4.7953 -2.8266 -2.8266 -2.2465 -2.2465 1.7538 1.7538 1.8260 1.8260 3.7913 3.7913 4.0204 4.0204 4.3355 4.3355 4.7405 4.7405 5.2543 5.2543 5.3760 5.3760 5.7903 5.7903 6.3446 6.3446 6.6701 6.6701 8.1568 8.1568 10.9674 10.9674 11.0358 11.0358 13.5525 13.5525 13.5532 13.5532 13.6107 13.6107 k =-0.0119 0.0116 0.6986 ( 3804 PWs) bands (ev): -31.4227 -31.4227 -31.4108 -31.4108 -12.8078 -12.8078 -12.7645 -12.7645 -12.4757 -12.4757 -12.4131 -12.4131 -12.3238 -12.3238 -12.3124 -12.3124 -4.8276 -4.8276 -4.7953 -4.7953 -2.8257 -2.8257 -2.2444 -2.2444 1.7529 1.7529 1.8187 1.8187 3.8016 3.8016 4.0115 4.0115 4.3289 4.3289 4.7506 4.7506 5.2450 5.2450 5.3773 5.3773 5.7981 5.7981 6.3530 6.3530 6.6659 6.6659 8.1554 8.1554 10.9684 10.9684 11.0383 11.0383 13.5322 13.5322 13.5363 13.5363 13.6141 13.6141 k =-0.0239 0.0233 0.6986 ( 3804 PWs) bands (ev): -31.4227 -31.4227 -31.4109 -31.4109 -12.8078 -12.8078 -12.7645 -12.7645 -12.4755 -12.4755 -12.4132 -12.4132 -12.3238 -12.3238 -12.3127 -12.3127 -4.8285 -4.8285 -4.7953 -4.7953 -2.8231 -2.8231 -2.2383 -2.2383 1.7480 1.7480 1.7994 1.7994 3.8318 3.8318 3.9862 3.9862 4.3094 4.3094 4.7796 4.7796 5.2183 5.2183 5.3812 5.3812 5.8210 5.8210 6.3774 6.3774 6.6533 6.6533 8.1514 8.1514 10.9713 10.9713 11.0458 11.0458 13.4724 13.4724 13.4972 13.4972 13.6239 13.6239 k =-0.0358 0.0349 0.6986 ( 3808 PWs) bands (ev): -31.4226 -31.4226 -31.4109 -31.4109 -12.8078 -12.8078 -12.7646 -12.7646 -12.4752 -12.4752 -12.4133 -12.4133 -12.3237 -12.3237 -12.3132 -12.3132 -4.8308 -4.8308 -4.7945 -4.7945 -2.8188 -2.8188 -2.2281 -2.2281 1.7293 1.7293 1.7797 1.7797 3.8805 3.8805 3.9479 3.9479 4.2783 4.2783 4.8233 4.8233 5.1767 5.1767 5.3877 5.3877 5.8578 5.8578 6.4154 6.4154 6.6323 6.6323 8.1447 8.1447 10.9761 10.9761 11.0583 11.0583 13.3811 13.3811 13.4480 13.4480 13.6402 13.6402 k =-0.0477 0.0466 0.6986 ( 3818 PWs) bands (ev): -31.4226 -31.4226 -31.4110 -31.4110 -12.8078 -12.8078 -12.7647 -12.7647 -12.4748 -12.4748 -12.4136 -12.4136 -12.3236 -12.3236 -12.3140 -12.3140 -4.8351 -4.8351 -4.7922 -4.7922 -2.8127 -2.8127 -2.2141 -2.2141 1.6864 1.6864 1.7719 1.7719 3.9004 3.9004 3.9455 3.9455 4.2373 4.2373 4.8763 4.8763 5.1252 5.1252 5.3968 5.3968 5.9067 5.9067 6.4642 6.4642 6.6031 6.6031 8.1354 8.1354 10.9829 10.9829 11.0757 11.0757 13.2669 13.2669 13.3939 13.3939 13.6622 13.6624 k =-0.0597 0.0582 0.6986 ( 3818 PWs) bands (ev): -31.4225 -31.4225 -31.4111 -31.4111 -12.8078 -12.8078 -12.7649 -12.7649 -12.4743 -12.4743 -12.4138 -12.4138 -12.3235 -12.3235 -12.3149 -12.3149 -4.8417 -4.8417 -4.7879 -4.7879 -2.8050 -2.8050 -2.1964 -2.1964 1.6275 1.6275 1.7702 1.7702 3.8468 3.8468 4.0244 4.0244 4.1881 4.1881 4.9267 4.9267 5.0752 5.0752 5.4085 5.4085 5.9660 5.9660 6.5209 6.5209 6.5660 6.5660 8.1237 8.1237 10.9918 10.9918 11.0981 11.0981 13.1372 13.1372 13.3372 13.3372 13.5813 13.5813 k =-0.0716 0.0699 0.6986 ( 3814 PWs) bands (ev): -31.4223 -31.4223 -31.4112 -31.4112 -12.8078 -12.8078 -12.7650 -12.7650 -12.4736 -12.4736 -12.4141 -12.4141 -12.3233 -12.3233 -12.3160 -12.3160 -4.8505 -4.8505 -4.7817 -4.7817 -2.7956 -2.7956 -2.1752 -2.1752 1.5593 1.5593 1.7706 1.7706 3.7894 3.7894 4.1148 4.1148 4.1327 4.1327 4.9297 4.9297 5.0716 5.0716 5.4228 5.4228 6.0337 6.0337 6.5212 6.5212 6.5833 6.5833 8.1095 8.1095 11.0027 11.0027 11.1254 11.1254 12.9972 12.9972 13.2787 13.2787 13.4971 13.4971 k =-0.0835 0.0815 0.6986 ( 3814 PWs) bands (ev): -31.4222 -31.4222 -31.4114 -31.4114 -12.8078 -12.8078 -12.7652 -12.7652 -12.4727 -12.4727 -12.4145 -12.4145 -12.3231 -12.3231 -12.3173 -12.3173 -4.8613 -4.8613 -4.7737 -4.7737 -2.7845 -2.7845 -2.1508 -2.1508 1.4849 1.4849 1.7718 1.7718 3.7298 3.7298 4.0723 4.0723 4.2148 4.2148 4.8700 4.8700 5.1300 5.1300 5.4397 5.4397 6.1083 6.1083 6.4691 6.4691 6.6494 6.6494 8.0931 8.0931 11.0156 11.0156 11.1575 11.1575 12.8504 12.8504 13.2190 13.2190 13.4114 13.4114 k =-0.0955 0.0932 0.6986 ( 3800 PWs) bands (ev): -31.4220 -31.4220 -31.4115 -31.4115 -12.8077 -12.8077 -12.7654 -12.7654 -12.4718 -12.4718 -12.4150 -12.4150 -12.3229 -12.3229 -12.3186 -12.3186 -4.8737 -4.8737 -4.7641 -4.7641 -2.7719 -2.7719 -2.1235 -2.1235 1.4066 1.4066 1.7736 1.7736 3.6691 3.6691 4.0085 4.0085 4.3222 4.3222 4.7912 4.7912 5.2071 5.2071 5.4592 5.4592 6.1884 6.1884 6.4101 6.4101 6.7178 6.7178 8.0746 8.0746 11.0307 11.0307 11.1945 11.1945 12.6993 12.6993 13.1584 13.1584 13.3253 13.3253 k =-0.1074 0.1048 0.6986 ( 3802 PWs) bands (ev): -31.4218 -31.4218 -31.4117 -31.4117 -12.8078 -12.8078 -12.7657 -12.7657 -12.4707 -12.4707 -12.4156 -12.4156 -12.3226 -12.3226 -12.3201 -12.3201 -4.8876 -4.8876 -4.7531 -4.7531 -2.7577 -2.7577 -2.0938 -2.0938 1.3262 1.3262 1.7759 1.7759 3.6081 3.6081 3.9422 3.9422 4.4355 4.4355 4.7058 4.7058 5.2908 5.2908 5.4812 5.4812 6.2727 6.2727 6.3446 6.3446 6.7874 6.7874 8.0541 8.0541 11.0479 11.0479 11.2363 11.2363 12.5454 12.5454 13.0971 13.0971 13.2396 13.2396 k =-0.1193 0.1164 0.6986 ( 3806 PWs) bands (ev): -31.4216 -31.4216 -31.4119 -31.4119 -12.8078 -12.8078 -12.7660 -12.7660 -12.4696 -12.4696 -12.4163 -12.4163 -12.3223 -12.3223 -12.3217 -12.3217 -4.9026 -4.9026 -4.7406 -4.7406 -2.7420 -2.7420 -2.0620 -2.0620 1.2450 1.2450 1.7784 1.7784 3.5474 3.5474 3.8745 3.8745 4.5532 4.5532 4.6168 4.6168 5.3784 5.3784 5.5058 5.5058 6.2733 6.2733 6.3603 6.3603 6.8574 6.8574 8.0319 8.0319 11.0673 11.0673 11.2828 11.2828 12.3897 12.3897 13.0353 13.0353 13.1550 13.1550 k =-0.1313 0.1281 0.6986 ( 3806 PWs) bands (ev): -31.4214 -31.4214 -31.4121 -31.4121 -12.8079 -12.8079 -12.7664 -12.7664 -12.4683 -12.4683 -12.4171 -12.4171 -12.3234 -12.3234 -12.3218 -12.3218 -4.9187 -4.9187 -4.7267 -4.7267 -2.7249 -2.7249 -2.0286 -2.0286 1.1644 1.1644 1.7812 1.7812 3.4872 3.4872 3.8059 3.8059 4.5256 4.5256 4.6740 4.6740 5.4687 5.4687 5.5330 5.5330 6.1970 6.1970 6.4502 6.4502 6.9272 6.9272 8.0080 8.0080 11.0889 11.0889 11.3340 11.3340 12.2330 12.2330 12.9732 12.9732 13.0722 13.0722 k =-0.1432 0.1397 0.6986 ( 3806 PWs) bands (ev): -31.4212 -31.4212 -31.4124 -31.4124 -12.8080 -12.8080 -12.7668 -12.7668 -12.4670 -12.4670 -12.4180 -12.4180 -12.3251 -12.3251 -12.3214 -12.3214 -4.9356 -4.9356 -4.7115 -4.7115 -2.7064 -2.7064 -1.9941 -1.9941 1.0854 1.0854 1.7844 1.7844 3.4279 3.4279 3.7370 3.7370 4.4332 4.4332 4.7964 4.7964 5.5609 5.5609 5.5628 5.5628 6.1167 6.1167 6.5419 6.5419 6.9962 6.9962 7.9827 7.9827 11.1127 11.1127 11.3897 11.3897 12.0761 12.0761 12.9109 12.9109 12.9916 12.9916 k =-0.1551 0.1514 0.6986 ( 3810 PWs) bands (ev): -31.4209 -31.4209 -31.4126 -31.4126 -12.8081 -12.8081 -12.7673 -12.7673 -12.4656 -12.4656 -12.4190 -12.4190 -12.3267 -12.3267 -12.3209 -12.3209 -4.9531 -4.9531 -4.6951 -4.6951 -2.6866 -2.6866 -1.9591 -1.9591 1.0092 1.0092 1.7877 1.7877 3.3697 3.3697 3.6683 3.6683 4.3401 4.3401 4.9185 4.9185 5.5950 5.5950 5.6551 5.6551 6.0338 6.0338 6.6346 6.6346 7.0642 7.0642 7.9562 7.9562 11.1387 11.1387 11.4499 11.4499 11.9193 11.9193 12.8487 12.8487 12.9136 12.9136 k =-0.1671 0.1630 0.6986 ( 3810 PWs) bands (ev): -31.4207 -31.4207 -31.4129 -31.4129 -12.8083 -12.8083 -12.7678 -12.7678 -12.4641 -12.4641 -12.4201 -12.4201 -12.3284 -12.3284 -12.3203 -12.3203 -4.9711 -4.9711 -4.6774 -4.6774 -2.6655 -2.6655 -1.9241 -1.9241 0.9365 0.9365 1.7913 1.7913 3.3127 3.3127 3.6001 3.6001 4.2467 4.2467 5.0373 5.0373 5.6298 5.6298 5.7504 5.7504 5.9513 5.9513 6.7278 6.7278 7.1308 7.1308 7.9286 7.9286 11.1670 11.1670 11.5145 11.5145 11.7630 11.7630 12.7865 12.7865 12.8386 12.8386 k =-0.1790 0.1747 0.6986 ( 3802 PWs) bands (ev): -31.4204 -31.4204 -31.4131 -31.4131 -12.8085 -12.8085 -12.7683 -12.7683 -12.4625 -12.4625 -12.4214 -12.4214 -12.3300 -12.3300 -12.3196 -12.3196 -4.9895 -4.9895 -4.6585 -4.6585 -2.6433 -2.6433 -1.8900 -1.8900 0.8685 0.8685 1.7950 1.7950 3.2571 3.2571 3.5329 3.5329 4.1536 4.1536 5.1474 5.1474 5.6671 5.6671 5.8467 5.8467 5.8743 5.8743 6.8209 6.8209 7.1958 7.1958 7.9002 7.9002 11.1975 11.1975 11.5833 11.5833 11.6077 11.6077 12.7245 12.7245 12.7670 12.7670 k =-0.1909 0.1863 0.6986 ( 3806 PWs) bands (ev): -31.4201 -31.4201 -31.4134 -31.4134 -12.8088 -12.8088 -12.7690 -12.7690 -12.4610 -12.4610 -12.4228 -12.4228 -12.3315 -12.3315 -12.3189 -12.3189 -5.0080 -5.0080 -4.6386 -4.6386 -2.6200 -2.6200 -1.8573 -1.8573 0.8060 0.8060 1.7990 1.7990 3.2029 3.2029 3.4668 3.4668 4.0611 4.0611 5.2376 5.2376 5.7070 5.7070 5.8139 5.8139 5.9440 5.9440 6.9135 6.9135 7.2591 7.2591 7.8712 7.8712 11.2301 11.2301 11.4533 11.4533 11.6563 11.6563 12.6628 12.6628 12.6990 12.6990 k =-0.2029 0.1980 0.6986 ( 3806 PWs) bands (ev): -31.4198 -31.4198 -31.4137 -31.4137 -12.8091 -12.8091 -12.7696 -12.7696 -12.4594 -12.4594 -12.4244 -12.4244 -12.3330 -12.3330 -12.3181 -12.3181 -5.0267 -5.0267 -4.6175 -4.6175 -2.5958 -2.5958 -1.8268 -1.8268 0.7498 0.7498 1.8031 1.8031 3.1502 3.1502 3.4021 3.4021 3.9694 3.9694 5.2864 5.2864 5.7493 5.7493 5.7917 5.7917 6.0417 6.0417 7.0050 7.0050 7.3204 7.3204 7.8417 7.8417 11.2649 11.2649 11.3004 11.3004 11.7333 11.7333 12.6015 12.6015 12.6349 12.6349 k =-0.2148 0.2096 0.6986 ( 3810 PWs) bands (ev): -31.4195 -31.4195 -31.4140 -31.4140 -12.8095 -12.8095 -12.7704 -12.7704 -12.4577 -12.4577 -12.4261 -12.4261 -12.3344 -12.3344 -12.3172 -12.3172 -5.0453 -5.0453 -4.5954 -4.5954 -2.5707 -2.5707 -1.7992 -1.7992 0.7009 0.7009 1.8073 1.8073 3.0990 3.0990 3.3389 3.3389 3.8789 3.8789 5.2747 5.2747 5.7942 5.7942 5.8267 5.8267 6.1399 6.1399 7.0950 7.0950 7.3796 7.3796 7.8120 7.8120 11.1492 11.1492 11.3018 11.3018 11.8141 11.8141 12.5407 12.5407 12.5750 12.5750 k =-0.2267 0.2213 0.6986 ( 3796 PWs) bands (ev): -31.4192 -31.4192 -31.4143 -31.4143 -12.8099 -12.8099 -12.7711 -12.7711 -12.4561 -12.4561 -12.4278 -12.4278 -12.3356 -12.3356 -12.3161 -12.3161 -5.0638 -5.0638 -4.5723 -4.5723 -2.5449 -2.5449 -1.7754 -1.7754 0.6601 0.6601 1.8117 1.8117 3.0495 3.0495 3.2774 3.2774 3.7899 3.7899 5.2124 5.2124 5.8415 5.8415 5.9090 5.9090 6.2381 6.2381 7.1830 7.1830 7.4367 7.4367 7.7821 7.7821 10.9997 10.9997 11.3407 11.3407 11.8986 11.8986 12.4805 12.4805 12.5195 12.5195 k =-0.2387 0.2329 0.6986 ( 3794 PWs) bands (ev): -31.4189 -31.4189 -31.4146 -31.4146 -12.8103 -12.8103 -12.7720 -12.7720 -12.4544 -12.4544 -12.4297 -12.4297 -12.3367 -12.3367 -12.3150 -12.3150 -5.0820 -5.0820 -4.5484 -4.5484 -2.5184 -2.5184 -1.7560 -1.7560 0.6282 0.6282 1.8163 1.8163 3.0015 3.0015 3.2178 3.2178 3.7027 3.7027 5.1215 5.1215 5.8912 5.8912 6.0164 6.0164 6.3363 6.3363 7.2686 7.2686 7.4916 7.4916 7.7523 7.7523 10.8524 10.8524 11.3816 11.3816 11.9865 11.9865 12.4209 12.4209 12.4686 12.4686 k =-0.2506 0.2445 0.6986 ( 3790 PWs) bands (ev): -31.4186 -31.4186 -31.4149 -31.4149 -12.8108 -12.8108 -12.7728 -12.7728 -12.4528 -12.4528 -12.4316 -12.4316 -12.3377 -12.3377 -12.3139 -12.3139 -5.0999 -5.0999 -4.5236 -4.5236 -2.4914 -2.4914 -1.7415 -1.7415 0.6057 0.6057 1.8209 1.8209 2.9551 2.9551 3.1601 3.1601 3.6175 3.6175 5.0157 5.0157 5.9433 5.9433 6.1354 6.1354 6.4342 6.4342 7.3513 7.3513 7.5441 7.5441 7.7228 7.7228 10.7074 10.7074 11.4244 11.4244 12.0777 12.0777 12.3620 12.3620 12.4225 12.4225 k =-0.2625 0.2562 0.6986 ( 3794 PWs) bands (ev): -31.4183 -31.4183 -31.4152 -31.4152 -12.8114 -12.8114 -12.7737 -12.7737 -12.4513 -12.4513 -12.4337 -12.4337 -12.3385 -12.3385 -12.3126 -12.3126 -5.1174 -5.1174 -4.4981 -4.4981 -2.4640 -2.4640 -1.7326 -1.7326 0.5933 0.5933 1.8257 1.8257 2.9104 2.9104 3.1046 3.1046 3.5345 3.5345 4.9013 4.9013 5.9979 5.9979 6.2595 6.2595 6.5316 6.5316 7.4305 7.4305 7.5941 7.5941 7.6937 7.6937 10.5649 10.5649 11.4690 11.4690 12.1719 12.1719 12.3038 12.3038 12.3814 12.3814 k =-0.2625 0.2562 0.6986 ( 3794 PWs) bands (ev): -31.4183 -31.4183 -31.4152 -31.4152 -12.8114 -12.8114 -12.7737 -12.7737 -12.4513 -12.4513 -12.4337 -12.4337 -12.3385 -12.3385 -12.3126 -12.3126 -5.1174 -5.1174 -4.4981 -4.4981 -2.4640 -2.4640 -1.7326 -1.7326 0.5933 0.5933 1.8257 1.8257 2.9104 2.9104 3.1046 3.1046 3.5345 3.5345 4.9013 4.9013 5.9979 5.9979 6.2595 6.2595 6.5316 6.5316 7.4305 7.4305 7.5941 7.5941 7.6937 7.6937 10.5649 10.5649 11.4690 11.4690 12.1719 12.1719 12.3038 12.3039 12.3814 12.3814 k =-0.2710 0.2645 0.6868 ( 3792 PWs) bands (ev): -31.4181 -31.4181 -31.4154 -31.4154 -12.8118 -12.8118 -12.7744 -12.7744 -12.4502 -12.4502 -12.4351 -12.4351 -12.3391 -12.3391 -12.3118 -12.3118 -5.1293 -5.1293 -4.4807 -4.4807 -2.4429 -2.4429 -1.7299 -1.7299 0.5902 0.5902 1.8229 1.8229 2.8861 2.8861 3.0671 3.0671 3.4787 3.4787 4.8165 4.8165 6.0370 6.0370 6.3477 6.3477 6.6010 6.6010 7.4847 7.4847 7.6261 7.6261 7.6743 7.6743 10.4668 10.4668 11.4911 11.4911 12.2307 12.2307 12.2736 12.2736 12.3656 12.3656 k =-0.2795 0.2727 0.6749 ( 3796 PWs) bands (ev): -31.4179 -31.4179 -31.4156 -31.4156 -12.8122 -12.8122 -12.7750 -12.7750 -12.4491 -12.4491 -12.4364 -12.4364 -12.3396 -12.3396 -12.3110 -12.3110 -5.1402 -5.1402 -4.4652 -4.4652 -2.4187 -2.4187 -1.7306 -1.7306 0.5914 0.5914 1.8077 1.8077 2.8755 2.8755 3.0322 3.0322 3.4280 3.4280 4.7297 4.7297 6.0750 6.0750 6.4332 6.4332 6.6709 6.6709 7.5368 7.5368 7.6519 7.6519 7.6578 7.6578 10.3734 10.3734 11.4924 11.4924 12.2132 12.2132 12.3230 12.3230 12.3736 12.3736 k =-0.2880 0.2810 0.6631 ( 3804 PWs) bands (ev): -31.4177 -31.4177 -31.4158 -31.4158 -12.8126 -12.8126 -12.7755 -12.7755 -12.4481 -12.4481 -12.4377 -12.4377 -12.3401 -12.3401 -12.3103 -12.3103 -5.1503 -5.1503 -4.4515 -4.4515 -2.3917 -2.3917 -1.7348 -1.7348 0.5970 0.5970 1.7810 1.7810 2.8771 2.8771 2.9999 2.9999 3.3834 3.3834 4.6417 4.6417 6.1115 6.1115 6.5150 6.5150 6.7409 6.7409 7.5860 7.5860 7.6435 7.6435 7.6725 7.6725 10.2851 10.2851 11.4750 11.4750 12.1773 12.1773 12.3941 12.3941 12.4032 12.4032 k =-0.2965 0.2893 0.6512 ( 3805 PWs) bands (ev): -31.4176 -31.4176 -31.4159 -31.4159 -12.8129 -12.8129 -12.7760 -12.7760 -12.4471 -12.4471 -12.4389 -12.4389 -12.3405 -12.3405 -12.3097 -12.3097 -5.1595 -5.1595 -4.4396 -4.4396 -2.3621 -2.3621 -1.7427 -1.7427 0.6068 0.6068 1.7446 1.7446 2.8883 2.8883 2.9703 2.9703 3.3463 3.3463 4.5532 4.5532 6.1463 6.1463 6.5922 6.5922 6.8107 6.8107 7.6208 7.6208 7.6437 7.6437 7.6866 7.6866 10.2024 10.2024 11.4437 11.4437 12.1428 12.1428 12.4495 12.4495 12.4676 12.4676 k =-0.3049 0.2976 0.6394 ( 3807 PWs) bands (ev): -31.4174 -31.4174 -31.4161 -31.4161 -12.8133 -12.8133 -12.7764 -12.7764 -12.4462 -12.4462 -12.4400 -12.4400 -12.3409 -12.3409 -12.3091 -12.3091 -5.1678 -5.1678 -4.4292 -4.4292 -2.3303 -2.3303 -1.7541 -1.7541 0.6206 0.6206 1.7007 1.7007 2.9052 2.9052 2.9434 2.9434 3.3188 3.3188 4.4646 4.4646 6.1790 6.1790 6.6637 6.6637 6.8802 6.8802 7.6163 7.6163 7.6824 7.6824 7.6945 7.6945 10.1259 10.1259 11.4037 11.4037 12.1108 12.1108 12.5071 12.5071 12.5421 12.5421 k =-0.3134 0.3058 0.6275 ( 3801 PWs) bands (ev): -31.4172 -31.4172 -31.4162 -31.4162 -12.8136 -12.8136 -12.7767 -12.7767 -12.4454 -12.4454 -12.4410 -12.4410 -12.3412 -12.3412 -12.3086 -12.3086 -5.1752 -5.1752 -4.4203 -4.4203 -2.2965 -2.2965 -1.7691 -1.7691 0.6381 0.6381 1.6519 1.6519 2.9191 2.9191 2.9235 2.9235 3.3033 3.3033 4.3764 4.3764 6.2093 6.2093 6.7289 6.7289 6.9492 6.9492 7.6086 7.6086 7.6961 7.6961 7.7229 7.7229 10.0560 10.0560 11.3595 11.3595 12.0818 12.0818 12.5713 12.5713 12.6172 12.6172 k =-0.3219 0.3141 0.6157 ( 3806 PWs) bands (ev): -31.4171 -31.4171 -31.4163 -31.4163 -12.8138 -12.8138 -12.7771 -12.7771 -12.4446 -12.4446 -12.4419 -12.4419 -12.3416 -12.3416 -12.3082 -12.3082 -5.1818 -5.1818 -4.4128 -4.4128 -2.2610 -2.2610 -1.7876 -1.7876 0.6587 0.6587 1.6004 1.6004 2.8977 2.8977 2.9386 2.9386 3.3025 3.3025 4.2890 4.2890 6.2369 6.2369 6.7869 6.7869 7.0175 7.0175 7.6022 7.6022 7.6917 7.6917 7.7600 7.7600 9.9931 9.9931 11.3146 11.3146 12.0558 12.0558 12.6380 12.6380 12.6926 12.6926 k =-0.3304 0.3224 0.6038 ( 3806 PWs) bands (ev): -31.4170 -31.4170 -31.4164 -31.4164 -12.8140 -12.8140 -12.7773 -12.7773 -12.4440 -12.4440 -12.4425 -12.4425 -12.3419 -12.3419 -12.3078 -12.3078 -5.1874 -5.1874 -4.4066 -4.4066 -2.2243 -2.2243 -1.8093 -1.8093 0.6818 0.6818 1.5484 1.5484 2.8791 2.8791 2.9477 2.9477 3.3179 3.3179 4.2029 4.2029 6.2614 6.2614 6.8374 6.8374 7.0844 7.0844 7.5975 7.5975 7.6814 7.6814 7.7930 7.7930 9.9377 9.9377 11.2716 11.2716 12.0332 12.0332 12.7039 12.7039 12.7675 12.7675 k =-0.3389 0.3307 0.5920 ( 3797 PWs) bands (ev): -31.4169 -31.4169 -31.4165 -31.4165 -12.8143 -12.8143 -12.7775 -12.7775 -12.4438 -12.4438 -12.4427 -12.4427 -12.3421 -12.3421 -12.3075 -12.3075 -5.1922 -5.1922 -4.4015 -4.4015 -2.1866 -2.1866 -1.8341 -1.8341 0.7063 0.7063 1.4979 1.4979 2.8632 2.8632 2.9504 2.9504 3.3483 3.3483 4.1187 4.1187 6.2827 6.2827 6.8803 6.8803 7.1491 7.1491 7.5941 7.5941 7.6655 7.6655 7.8215 7.8215 9.8902 9.8902 11.2324 11.2324 12.0139 12.0139 12.7661 12.7661 12.8411 12.8411 k =-0.3473 0.3390 0.5801 ( 3806 PWs) bands (ev): -31.4169 -31.4169 -31.4166 -31.4166 -12.8144 -12.8144 -12.7777 -12.7777 -12.4442 -12.4442 -12.4425 -12.4425 -12.3423 -12.3423 -12.3073 -12.3073 -5.1961 -5.1961 -4.3975 -4.3975 -2.1483 -2.1483 -1.8617 -1.8617 0.7310 0.7310 1.4511 1.4511 2.8503 2.8503 2.9485 2.9485 3.3904 3.3904 4.0373 4.0373 6.3004 6.3004 6.9153 6.9153 7.2106 7.2106 7.5919 7.5919 7.6448 7.6448 7.8452 7.8452 9.8509 9.8509 11.1985 11.1985 11.9979 11.9979 12.8221 12.8221 12.9121 12.9121 k =-0.3558 0.3472 0.5683 ( 3810 PWs) bands (ev): -31.4168 -31.4168 -31.4167 -31.4167 -12.8146 -12.8146 -12.7778 -12.7778 -12.4446 -12.4446 -12.4422 -12.4422 -12.3424 -12.3424 -12.3071 -12.3071 -5.1992 -5.1992 -4.3944 -4.3944 -2.1099 -2.1099 -1.8917 -1.8917 0.7540 0.7540 1.4104 1.4104 2.8402 2.8402 2.9445 2.9445 3.4398 3.4398 3.9601 3.9601 6.3144 6.3144 6.9426 6.9426 7.2671 7.2671 7.5905 7.5905 7.6204 7.6204 7.8638 7.8638 9.8201 9.8201 11.1711 11.1711 11.9855 11.9855 12.8691 12.8691 12.9780 12.9780 k =-0.3643 0.3555 0.5564 ( 3805 PWs) bands (ev): -31.4168 -31.4168 -31.4167 -31.4167 -12.8146 -12.8146 -12.7779 -12.7779 -12.4448 -12.4448 -12.4419 -12.4419 -12.3425 -12.3425 -12.3069 -12.3069 -5.2014 -5.2014 -4.3923 -4.3923 -2.0717 -2.0717 -1.9239 -1.9239 0.7733 0.7733 1.3783 1.3783 2.8329 2.8329 2.9403 2.9403 3.4911 3.4911 3.8906 3.8906 6.3245 6.3245 6.9621 6.9621 7.3159 7.3159 7.5896 7.5896 7.5948 7.5948 7.8772 7.8772 9.7979 9.7979 11.1509 11.1509 11.9766 11.9766 12.9049 12.9049 13.0347 13.0347 k =-0.3728 0.3638 0.5446 ( 3808 PWs) bands (ev): -31.4167 -31.4167 -31.4167 -31.4167 -12.8147 -12.8147 -12.7780 -12.7780 -12.4450 -12.4450 -12.4417 -12.4417 -12.3426 -12.3426 -12.3069 -12.3069 -5.2026 -5.2026 -4.3911 -4.3911 -2.0346 -2.0346 -1.9573 -1.9573 0.7862 0.7862 1.3576 1.3576 2.8286 2.8286 2.9374 2.9374 3.5349 3.5349 3.8363 3.8363 6.3306 6.3306 6.9738 6.9738 7.3519 7.3519 7.5726 7.5726 7.5894 7.5894 7.8853 7.8853 9.7846 9.7846 11.1385 11.1385 11.9713 11.9713 12.9273 12.9273 13.0751 13.0751 k =-0.3813 0.3721 0.5327 ( 3803 PWs) bands (ev): -31.4167 -31.4167 -31.4167 -31.4167 -12.8147 -12.8147 -12.7780 -12.7780 -12.4451 -12.4451 -12.4417 -12.4417 -12.3426 -12.3426 -12.3068 -12.3068 -5.2031 -5.2031 -4.3906 -4.3906 -2.0076 -2.0076 -1.9831 -1.9831 0.7908 0.7908 1.3504 1.3504 2.8271 2.8271 2.9363 2.9363 3.5539 3.5539 3.8139 3.8139 6.3326 6.3326 6.9777 6.9777 7.3659 7.3659 7.5633 7.5633 7.5893 7.5893 7.8880 7.8880 9.7801 9.7801 11.1344 11.1344 11.9695 11.9695 12.9349 12.9349 13.0901 13.0901 k =-0.3813 0.3721 0.5327 ( 3803 PWs) bands (ev): -31.4167 -31.4167 -31.4167 -31.4167 -12.8147 -12.8147 -12.7780 -12.7780 -12.4451 -12.4451 -12.4417 -12.4417 -12.3426 -12.3426 -12.3068 -12.3068 -5.2031 -5.2031 -4.3906 -4.3906 -2.0076 -2.0076 -1.9831 -1.9831 0.7908 0.7908 1.3504 1.3504 2.8271 2.8271 2.9363 2.9363 3.5539 3.5539 3.8139 3.8139 6.3326 6.3326 6.9777 6.9777 7.3659 7.3659 7.5633 7.5633 7.5893 7.5893 7.8880 7.8880 9.7801 9.7801 11.1344 11.1344 11.9695 11.9695 12.9349 12.9349 13.0901 13.0901 k =-0.3728 0.3638 0.5209 ( 3809 PWs) bands (ev): -31.4170 -31.4170 -31.4164 -31.4164 -12.8140 -12.8140 -12.7764 -12.7764 -12.4432 -12.4432 -12.4420 -12.4420 -12.3427 -12.3427 -12.3091 -12.3091 -5.1877 -5.1877 -4.4304 -4.4304 -1.9973 -1.9973 -1.9690 -1.9690 0.7348 0.7348 1.2928 1.2928 2.8689 2.8689 3.0148 3.0148 3.6270 3.6270 3.9271 3.9271 6.2606 6.2606 6.8833 6.8833 7.2966 7.2966 7.4945 7.4945 7.6216 7.6216 7.8645 7.8645 9.8951 9.8951 11.0147 11.0147 12.0080 12.0080 13.0158 13.0158 13.0192 13.0192 k =-0.3643 0.3555 0.5090 ( 3815 PWs) bands (ev): -31.4174 -31.4174 -31.4161 -31.4161 -12.8133 -12.8133 -12.7747 -12.7747 -12.4436 -12.4436 -12.4401 -12.4401 -12.3428 -12.3428 -12.3115 -12.3115 -5.1712 -5.1712 -4.4717 -4.4717 -1.9870 -1.9870 -1.9543 -1.9543 0.6816 0.6816 1.2364 1.2364 2.9133 2.9133 3.0969 3.0969 3.6980 3.6980 4.0413 4.0413 6.1904 6.1904 6.7881 6.7881 7.2258 7.2258 7.4231 7.4231 7.6558 7.6558 7.8379 7.8379 10.0137 10.0137 10.8948 10.8948 12.0407 12.0407 12.9538 12.9538 13.0996 13.0996 k =-0.3558 0.3473 0.4972 ( 3817 PWs) bands (ev): -31.4177 -31.4177 -31.4158 -31.4158 -12.8125 -12.8125 -12.7729 -12.7729 -12.4444 -12.4444 -12.4375 -12.4375 -12.3428 -12.3428 -12.3141 -12.3141 -5.1536 -5.1536 -4.5144 -4.5144 -1.9767 -1.9767 -1.9390 -1.9390 0.6317 0.6317 1.1815 1.1815 2.9602 2.9602 3.1820 3.1820 3.7664 3.7664 4.1564 4.1564 6.1221 6.1221 6.6923 6.6923 7.1539 7.1539 7.3499 7.3499 7.6916 7.6916 7.8090 7.8090 10.1355 10.1355 10.7753 10.7753 12.0642 12.0642 12.8982 12.8982 13.1850 13.1850 k =-0.3474 0.3390 0.4854 ( 3823 PWs) bands (ev): -31.4181 -31.4181 -31.4155 -31.4155 -12.8118 -12.8118 -12.7710 -12.7710 -12.4452 -12.4452 -12.4349 -12.4349 -12.3429 -12.3429 -12.3167 -12.3167 -5.1349 -5.1349 -4.5584 -4.5584 -1.9668 -1.9668 -1.9233 -1.9233 0.5853 0.5853 1.1281 1.1281 3.0096 3.0096 3.2699 3.2699 3.8316 3.8316 4.2719 4.2719 6.0557 6.0557 6.5963 6.5963 7.0815 7.0815 7.2758 7.2758 7.7291 7.7291 7.7781 7.7781 10.2598 10.2598 10.6566 10.6566 12.0748 12.0748 12.8563 12.8563 13.2719 13.2719 k =-0.3389 0.3307 0.4735 ( 3823 PWs) bands (ev): -31.4184 -31.4184 -31.4151 -31.4151 -12.8111 -12.8111 -12.7691 -12.7691 -12.4461 -12.4461 -12.4320 -12.4320 -12.3429 -12.3429 -12.3194 -12.3194 -5.1150 -5.1150 -4.6034 -4.6034 -1.9573 -1.9573 -1.9073 -1.9073 0.5427 0.5427 1.0762 1.0762 3.0614 3.0614 3.3600 3.3600 3.8928 3.8928 4.3876 4.3876 5.9912 5.9912 6.5003 6.5003 7.0091 7.0091 7.2021 7.2021 7.7458 7.7458 7.7679 7.7679 10.3860 10.3860 10.5392 10.5392 12.0689 12.0689 12.8317 12.8317 13.3403 13.3403 k =-0.3304 0.3224 0.4617 ( 3825 PWs) bands (ev): -31.4188 -31.4188 -31.4148 -31.4148 -12.8103 -12.8103 -12.7671 -12.7671 -12.4469 -12.4469 -12.4290 -12.4290 -12.3429 -12.3429 -12.3222 -12.3222 -5.0940 -5.0940 -4.6493 -4.6493 -1.9485 -1.9485 -1.8911 -1.8911 0.5041 0.5041 1.0260 1.0260 3.1155 3.1155 3.4518 3.4518 3.9493 3.9493 4.5031 4.5031 5.9288 5.9288 6.4046 6.4046 6.9373 6.9373 7.1297 7.1297 7.7125 7.7125 7.8079 7.8079 10.4236 10.4236 10.5137 10.5137 12.0449 12.0449 12.8263 12.8263 13.3054 13.3054 k =-0.3220 0.3142 0.4498 ( 3815 PWs) bands (ev): -31.4192 -31.4192 -31.4144 -31.4144 -12.8096 -12.8096 -12.7650 -12.7650 -12.4477 -12.4477 -12.4259 -12.4259 -12.3429 -12.3429 -12.3250 -12.3250 -5.0718 -5.0718 -4.6958 -4.6958 -1.9405 -1.9405 -1.8748 -1.8748 0.4697 0.4697 0.9777 0.9777 3.1718 3.1718 3.5448 3.5448 4.0004 4.0004 4.6181 4.6181 5.8682 5.8682 6.3090 6.3090 6.8669 6.8669 7.0601 7.0601 7.6784 7.6784 7.8488 7.8488 10.3104 10.3104 10.6423 10.6423 12.0040 12.0040 12.8392 12.8392 13.2718 13.2718 k =-0.3135 0.3059 0.4380 ( 3815 PWs) bands (ev): -31.4196 -31.4196 -31.4140 -31.4140 -12.8089 -12.8089 -12.7628 -12.7628 -12.4485 -12.4485 -12.4228 -12.4228 -12.3429 -12.3429 -12.3279 -12.3279 -5.0485 -5.0485 -4.7430 -4.7430 -1.9335 -1.9335 -1.8586 -1.8586 0.4399 0.4399 0.9313 0.9313 3.2304 3.2304 3.6383 3.6383 4.0451 4.0451 4.7322 4.7322 5.8097 5.8097 6.2135 6.2135 6.7987 6.7987 6.9947 6.9947 7.6438 7.6438 7.8902 7.8902 10.1999 10.1999 10.7713 10.7713 11.9490 11.9490 12.8674 12.8674 13.2396 13.2396 k =-0.3050 0.2976 0.4262 ( 3815 PWs) bands (ev): -31.4200 -31.4200 -31.4136 -31.4136 -12.8082 -12.8082 -12.7606 -12.7606 -12.4493 -12.4493 -12.4195 -12.4195 -12.3429 -12.3429 -12.3308 -12.3308 -5.0241 -5.0241 -4.7906 -4.7906 -1.9277 -1.9277 -1.8426 -1.8426 0.4148 0.4148 0.8870 0.8870 3.2910 3.2910 3.7317 3.7317 4.0829 4.0829 4.8449 4.8449 5.7532 5.7532 6.1178 6.1178 6.7337 6.7337 6.9350 6.9350 7.6090 7.6090 7.9317 7.9317 10.0930 10.0930 10.9001 10.9001 11.8837 11.8837 12.9073 12.9073 13.2088 13.2088 k =-0.2965 0.2894 0.4143 ( 3821 PWs) bands (ev): -31.4204 -31.4204 -31.4132 -31.4132 -12.8076 -12.8076 -12.7584 -12.7584 -12.4501 -12.4501 -12.4161 -12.4161 -12.3429 -12.3429 -12.3339 -12.3339 -4.9986 -4.9986 -4.8384 -4.8384 -1.9232 -1.9232 -1.8271 -1.8271 0.3945 0.3945 0.8449 0.8449 3.3536 3.3536 3.8240 3.8240 4.1128 4.1128 4.9556 4.9556 5.6986 5.6986 6.0217 6.0217 6.6729 6.6729 6.8825 6.8825 7.5741 7.5741 7.9728 7.9728 9.9903 9.9903 11.0282 11.0282 11.8115 11.8115 12.9556 12.9556 13.1795 13.1795 k =-0.2881 0.2811 0.4025 ( 3817 PWs) bands (ev): -31.4208 -31.4208 -31.4128 -31.4128 -12.8070 -12.8070 -12.7561 -12.7561 -12.4508 -12.4508 -12.4127 -12.4127 -12.3428 -12.3428 -12.3369 -12.3369 -4.9719 -4.9719 -4.8863 -4.8863 -1.9202 -1.9202 -1.8122 -1.8122 0.3793 0.3793 0.8051 0.8051 3.4182 3.4182 3.9141 3.9141 4.1345 4.1345 5.0638 5.0638 5.6461 5.6461 5.9247 5.9247 6.6179 6.6179 6.8386 6.8386 7.5394 7.5394 8.0127 8.0127 9.8926 9.8926 11.1550 11.1550 11.7349 11.7349 13.0100 13.0100 13.1517 13.1517 k =-0.2796 0.2728 0.3907 ( 3805 PWs) bands (ev): -31.4213 -31.4213 -31.4124 -31.4124 -12.8064 -12.8064 -12.7538 -12.7538 -12.4514 -12.4514 -12.4091 -12.4091 -12.3427 -12.3427 -12.3399 -12.3399 -4.9441 -4.9441 -4.9342 -4.9342 -1.9188 -1.9188 -1.7981 -1.7981 0.3692 0.3692 0.7679 0.7679 3.4845 3.4845 4.0010 4.0010 4.1474 4.1474 5.1688 5.1688 5.5955 5.5955 5.8264 5.8264 6.5702 6.5702 6.8046 6.8046 7.5050 7.5050 8.0505 8.0505 9.8010 9.8010 11.2796 11.2796 11.6556 11.6556 13.0684 13.0684 13.1256 13.1256 k =-0.2711 0.2646 0.3788 ( 3797 PWs) bands (ev): -31.4217 -31.4217 -31.4119 -31.4119 -12.8058 -12.8058 -12.7515 -12.7515 -12.4521 -12.4521 -12.4055 -12.4055 -12.3430 -12.3430 -12.3425 -12.3425 -4.9819 -4.9819 -4.9151 -4.9151 -1.9191 -1.9191 -1.7850 -1.7850 0.3642 0.3642 0.7333 0.7333 3.5526 3.5526 4.0831 4.0831 4.1514 4.1514 5.2698 5.2698 5.5469 5.5469 5.7264 5.7264 6.5318 6.5318 6.7813 6.7813 7.4709 7.4709 8.0853 8.0853 9.7167 9.7167 11.4014 11.4014 11.5750 11.5750 13.1002 13.1002 13.1307 13.1307 k =-0.2626 0.2563 0.3670 ( 3805 PWs) bands (ev): -31.4221 -31.4221 -31.4115 -31.4115 -12.8054 -12.8054 -12.7491 -12.7491 -12.4527 -12.4527 -12.4019 -12.4019 -12.3461 -12.3461 -12.3424 -12.3424 -5.0293 -5.0293 -4.8851 -4.8851 -1.9210 -1.9210 -1.7732 -1.7732 0.3645 0.3645 0.7017 0.7017 3.6223 3.6223 4.1466 4.1466 4.1588 4.1588 5.3662 5.3662 5.5002 5.5002 5.6246 5.6246 6.5046 6.5046 6.7690 6.7690 7.4374 7.4374 8.1155 8.1155 9.6411 9.6411 11.4941 11.4941 11.5193 11.5193 13.0773 13.0773 13.1937 13.1937 k =-0.2542 0.2480 0.3551 ( 3819 PWs) bands (ev): -31.4226 -31.4226 -31.4111 -31.4111 -12.8051 -12.8051 -12.7468 -12.7468 -12.4534 -12.4534 -12.3982 -12.3982 -12.3493 -12.3493 -12.3422 -12.3422 -5.0764 -5.0764 -4.8540 -4.8540 -1.9247 -1.9247 -1.7629 -1.7629 0.3700 0.3700 0.6731 0.6731 3.6935 3.6935 4.1335 4.1335 4.2261 4.2261 5.4553 5.4553 5.4575 5.4575 5.5207 5.5207 6.4908 6.4908 6.7679 6.7679 7.4045 7.4045 8.1396 8.1396 9.5759 9.5759 11.4136 11.4136 11.6324 11.6324 13.0557 13.0557 13.2581 13.2581 k =-0.2457 0.2398 0.3433 ( 3809 PWs) bands (ev): -31.4230 -31.4230 -31.4107 -31.4107 -12.8047 -12.8047 -12.7444 -12.7444 -12.4539 -12.4539 -12.3944 -12.3944 -12.3523 -12.3523 -12.3420 -12.3420 -5.1229 -5.1229 -4.8218 -4.8218 -1.9301 -1.9301 -1.7542 -1.7542 0.3807 0.3807 0.6478 0.6478 3.7660 3.7660 4.1128 4.1128 4.2830 4.2830 5.4125 5.4125 5.4151 5.4151 5.5435 5.5435 6.4921 6.4921 6.7775 6.7775 7.3724 7.3724 8.1559 8.1559 9.5230 9.5230 11.3340 11.3340 11.7395 11.7395 13.0356 13.0356 13.3229 13.3229 k =-0.2372 0.2315 0.3315 ( 3803 PWs) bands (ev): -31.4235 -31.4235 -31.4103 -31.4103 -12.8044 -12.8044 -12.7420 -12.7420 -12.4543 -12.4543 -12.3906 -12.3906 -12.3554 -12.3554 -12.3418 -12.3418 -5.1688 -5.1688 -4.7886 -4.7886 -1.9371 -1.9371 -1.7476 -1.7476 0.3963 0.3963 0.6260 0.6260 3.8398 3.8398 4.0851 4.0851 4.3275 4.3275 5.3074 5.3074 5.3716 5.3716 5.6252 5.6252 6.5094 6.5094 6.7970 6.7970 7.3409 7.3409 8.1628 8.1628 9.4840 9.4840 11.2557 11.2557 11.8394 11.8394 13.0170 13.0170 13.3874 13.3874 k =-0.2288 0.2232 0.3196 ( 3793 PWs) bands (ev): -31.4239 -31.4239 -31.4098 -31.4098 -12.8041 -12.8041 -12.7396 -12.7396 -12.4548 -12.4548 -12.3868 -12.3868 -12.3584 -12.3584 -12.3415 -12.3415 -5.2139 -5.2139 -4.7543 -4.7543 -1.9456 -1.9456 -1.7431 -1.7431 0.4170 0.4170 0.6078 0.6078 3.9148 3.9148 4.0516 4.0516 4.3580 4.3580 5.1982 5.1982 5.3325 5.3325 5.7039 5.7039 6.5424 6.5424 6.8256 6.8256 7.3104 7.3104 8.1590 8.1590 9.4602 9.4602 11.1791 11.1791 11.9309 11.9309 12.9999 12.9999 13.4509 13.4509 k =-0.2203 0.2150 0.3078 ( 3789 PWs) bands (ev): -31.4243 -31.4243 -31.4094 -31.4094 -12.8039 -12.8039 -12.7373 -12.7373 -12.4551 -12.4551 -12.3831 -12.3831 -12.3614 -12.3614 -12.3413 -12.3413 -5.2583 -5.2583 -4.7191 -4.7191 -1.9555 -1.9555 -1.7409 -1.7409 0.4423 0.4423 0.5935 0.5935 3.9903 3.9903 4.0136 4.0136 4.3735 4.3735 5.0877 5.0877 5.2952 5.2952 5.7818 5.7818 6.5897 6.5897 6.8621 6.8621 7.2807 7.2807 8.1439 8.1439 9.4523 9.4523 11.1044 11.1044 12.0129 12.0129 12.9842 12.9842 13.5122 13.5122 k =-0.2118 0.2067 0.2960 ( 3789 PWs) bands (ev): -31.4248 -31.4248 -31.4090 -31.4090 -12.8037 -12.8037 -12.7350 -12.7350 -12.4555 -12.4555 -12.3793 -12.3793 -12.3644 -12.3644 -12.3410 -12.3410 -5.3017 -5.3017 -4.6829 -4.6829 -1.9667 -1.9667 -1.7414 -1.7414 0.4723 0.4723 0.5832 0.5832 3.9706 3.9706 4.0677 4.0677 4.3737 4.3737 4.9761 4.9761 5.2597 5.2597 5.8609 5.8609 6.6490 6.6490 6.9054 6.9054 7.2519 7.2519 8.1176 8.1176 9.4602 9.4602 11.0318 11.0318 12.0842 12.0842 12.9699 12.9699 13.5697 13.5697 k =-0.2033 0.1984 0.2841 ( 3787 PWs) bands (ev): -31.4252 -31.4252 -31.4086 -31.4086 -12.8036 -12.8036 -12.7327 -12.7327 -12.4558 -12.4558 -12.3755 -12.3755 -12.3673 -12.3673 -12.3406 -12.3406 -5.3441 -5.3441 -4.6459 -4.6459 -1.9790 -1.9790 -1.7445 -1.7445 0.5066 0.5066 0.5770 0.5770 3.9253 3.9253 4.1452 4.1452 4.3595 4.3595 4.8638 4.8638 5.2260 5.2260 5.9428 5.9428 6.7176 6.7176 6.9544 6.9544 7.2241 7.2241 8.0811 8.0811 9.4828 9.4828 10.9616 10.9616 12.1443 12.1443 12.9570 12.9570 13.6200 13.6200 k =-0.1949 0.1902 0.2723 ( 3791 PWs) bands (ev): -31.4256 -31.4256 -31.4082 -31.4082 -12.8036 -12.8036 -12.7305 -12.7305 -12.4561 -12.4561 -12.3718 -12.3718 -12.3702 -12.3702 -12.3403 -12.3403 -5.3853 -5.3853 -4.6081 -4.6081 -1.9923 -1.9923 -1.7505 -1.7505 0.5450 0.5450 0.5750 0.5750 3.8778 3.8778 4.2233 4.2233 4.3319 4.3319 4.7511 4.7511 5.1940 5.1940 6.0283 6.0283 6.7930 6.7930 7.0081 7.0081 7.1974 7.1974 8.0360 8.0360 9.5188 9.5188 10.8939 10.8939 12.1927 12.1927 12.9455 12.9455 13.6581 13.6581 k =-0.1864 0.1819 0.2604 ( 3783 PWs) bands (ev): -31.4260 -31.4260 -31.4078 -31.4078 -12.8035 -12.8035 -12.7283 -12.7283 -12.4562 -12.4562 -12.3729 -12.3729 -12.3682 -12.3682 -12.3399 -12.3399 -5.4254 -5.4254 -4.5694 -4.5694 -2.0063 -2.0063 -1.7594 -1.7594 0.5773 0.5773 0.5873 0.5873 3.8290 3.8290 4.2926 4.2926 4.3018 4.3018 4.6382 4.6382 5.1637 5.1637 6.1176 6.1176 6.8729 6.8729 7.0654 7.0654 7.1716 7.1716 7.9840 7.9840 9.5664 9.5664 10.8289 10.8289 12.2297 12.2297 12.9352 12.9352 13.6799 13.6799 k =-0.1779 0.1736 0.2486 ( 3783 PWs) bands (ev): -31.4264 -31.4264 -31.4074 -31.4074 -12.8035 -12.8035 -12.7262 -12.7262 -12.4564 -12.4564 -12.3756 -12.3756 -12.3645 -12.3645 -12.3395 -12.3395 -5.4643 -5.4643 -4.5302 -4.5302 -2.0209 -2.0209 -1.7711 -1.7711 0.5840 0.5840 0.6333 0.6333 3.7795 3.7795 4.2434 4.2434 4.3805 4.3805 4.5256 4.5256 5.1351 5.1351 6.2102 6.2102 6.9555 6.9555 7.1255 7.1255 7.1469 7.1469 7.9267 7.9267 9.6239 9.6239 10.7666 10.7666 12.2558 12.2558 12.9262 12.9262 13.6880 13.6880 k =-0.1695 0.1654 0.2368 ( 3779 PWs) bands (ev): -31.4268 -31.4268 -31.4070 -31.4070 -12.8036 -12.8036 -12.7241 -12.7241 -12.4566 -12.4566 -12.3782 -12.3782 -12.3610 -12.3610 -12.3391 -12.3391 -5.5018 -5.5018 -4.4903 -4.4903 -2.0359 -2.0359 -1.7857 -1.7857 0.5949 0.5949 0.6827 0.6827 3.7299 3.7299 4.1860 4.1860 4.4134 4.4134 4.4593 4.4593 5.1081 5.1081 6.3054 6.3054 7.0392 7.0392 7.1233 7.1233 7.1875 7.1875 7.8655 7.8655 9.6899 9.6899 10.7071 10.7071 12.2721 12.2721 12.9184 12.9184 13.6885 13.6885 k =-0.1610 0.1571 0.2249 ( 3775 PWs) bands (ev): -31.4272 -31.4272 -31.4067 -31.4067 -12.8037 -12.8037 -12.7221 -12.7221 -12.4567 -12.4567 -12.3808 -12.3808 -12.3575 -12.3575 -12.3387 -12.3387 -5.5380 -5.5380 -4.4499 -4.4499 -2.0511 -2.0511 -1.8031 -1.8031 0.6100 0.6100 0.7353 0.7353 3.6807 3.6807 4.1219 4.1219 4.3020 4.3020 4.5379 4.5379 5.0827 5.0827 6.4025 6.4025 7.1008 7.1008 7.1230 7.1230 7.2507 7.2507 7.8018 7.8018 9.7631 9.7631 10.6505 10.6505 12.2797 12.2797 12.9117 12.9117 13.6861 13.6861 k =-0.1525 0.1488 0.2131 ( 3783 PWs) bands (ev): -31.4276 -31.4276 -31.4063 -31.4063 -12.8038 -12.8038 -12.7202 -12.7202 -12.4568 -12.4568 -12.3833 -12.3833 -12.3541 -12.3541 -12.3383 -12.3383 -5.5727 -5.5727 -4.4092 -4.4092 -2.0665 -2.0665 -1.8232 -1.8232 0.6292 0.6292 0.7907 0.7907 3.6324 3.6324 4.0523 4.0523 4.1917 4.1917 4.6163 4.6163 5.0589 5.0589 6.5004 6.5004 7.0794 7.0794 7.2058 7.2058 7.3144 7.3144 7.7365 7.7365 9.8426 9.8426 10.5969 10.5969 12.2801 12.2801 12.9060 12.9060 13.6833 13.6833 k =-0.1440 0.1406 0.2012 ( 3787 PWs) bands (ev): -31.4280 -31.4280 -31.4060 -31.4060 -12.8040 -12.8040 -12.7183 -12.7183 -12.4568 -12.4568 -12.3856 -12.3856 -12.3509 -12.3509 -12.3378 -12.3378 -5.6058 -5.6058 -4.3682 -4.3682 -2.0818 -2.0818 -1.8457 -1.8457 0.6522 0.6522 0.8489 0.8489 3.5852 3.5852 3.9785 3.9785 4.0827 4.0827 4.6941 4.6941 5.0366 5.0366 6.5984 6.5984 7.0592 7.0592 7.2868 7.2868 7.3780 7.3780 7.6705 7.6705 9.9274 9.9274 10.5464 10.5464 12.2745 12.2745 12.9013 12.9013 13.6818 13.6818 k =-0.1356 0.1323 0.1894 ( 3787 PWs) bands (ev): -31.4283 -31.4283 -31.4057 -31.4057 -12.8041 -12.8041 -12.7165 -12.7165 -12.4569 -12.4569 -12.3879 -12.3879 -12.3477 -12.3477 -12.3374 -12.3374 -5.6374 -5.6374 -4.3271 -4.3271 -2.0968 -2.0968 -1.8704 -1.8704 0.6788 0.6788 0.9094 0.9094 3.5396 3.5396 3.9014 3.9014 3.9755 3.9755 4.7711 4.7711 5.0159 5.0159 6.6956 6.6956 7.0400 7.0400 7.3655 7.3655 7.4409 7.4409 7.6043 7.6043 10.0171 10.0171 10.4989 10.4989 12.2643 12.2643 12.8975 12.8975 13.6826 13.6826 k =-0.1271 0.1240 0.1776 ( 3781 PWs) bands (ev): -31.4286 -31.4286 -31.4054 -31.4054 -12.8043 -12.8043 -12.7148 -12.7148 -12.4569 -12.4569 -12.3900 -12.3900 -12.3447 -12.3447 -12.3369 -12.3369 -5.6673 -5.6673 -4.2862 -4.2862 -2.1116 -2.1116 -1.8970 -1.8970 0.7088 0.7088 0.9720 0.9720 3.4956 3.4956 3.8218 3.8218 3.8703 3.8703 4.8472 4.8472 4.9965 4.9965 6.7912 6.7912 7.0220 7.0220 7.4411 7.4411 7.5026 7.5026 7.5386 7.5386 10.1109 10.1109 10.4545 10.4545 12.2506 12.2506 12.8946 12.8946 13.6863 13.6863 k =-0.1186 0.1158 0.1657 ( 3789 PWs) bands (ev): -31.4289 -31.4289 -31.4051 -31.4051 -12.8045 -12.8045 -12.7133 -12.7133 -12.4569 -12.4569 -12.3921 -12.3921 -12.3419 -12.3419 -12.3364 -12.3364 -5.6956 -5.6956 -4.2455 -4.2455 -2.1259 -2.1259 -1.9252 -1.9252 0.7419 0.7419 1.0365 1.0365 3.4534 3.4534 3.7404 3.7404 3.7676 3.7676 4.9220 4.9220 4.9786 4.9786 6.8845 6.8845 7.0052 7.0052 7.4737 7.4737 7.5134 7.5134 7.5626 7.5626 10.2086 10.2086 10.4133 10.4133 12.2345 12.2345 12.8924 12.8924 13.6934 13.6934 k =-0.1101 0.1075 0.1539 ( 3799 PWs) bands (ev): -31.4292 -31.4292 -31.4048 -31.4048 -12.8048 -12.8048 -12.7118 -12.7118 -12.4569 -12.4569 -12.3940 -12.3940 -12.3393 -12.3393 -12.3358 -12.3358 -5.7221 -5.7221 -4.2053 -4.2053 -2.1397 -2.1397 -1.9546 -1.9546 0.7775 0.7775 1.1024 1.1024 3.4131 3.4131 3.6577 3.6577 3.6680 3.6680 4.9621 4.9621 4.9952 4.9952 6.9748 6.9748 6.9895 6.9895 7.4101 7.4101 7.5817 7.5817 7.6205 7.6205 10.3097 10.3097 10.3752 10.3752 12.2167 12.2167 12.8908 12.8908 13.6597 13.6597 k =-0.1017 0.0992 0.1421 ( 3801 PWs) bands (ev): -31.4295 -31.4295 -31.4046 -31.4046 -12.8050 -12.8050 -12.7104 -12.7104 -12.4569 -12.4569 -12.3958 -12.3958 -12.3372 -12.3372 -12.3348 -12.3348 -5.7468 -5.7468 -4.1658 -4.1658 -2.1528 -2.1528 -1.9848 -1.9848 0.8153 0.8153 1.1696 1.1696 3.3743 3.3743 3.5717 3.5717 3.5750 3.5750 4.9470 4.9470 5.0666 5.0666 6.9749 6.9749 7.0615 7.0615 7.3480 7.3480 7.6460 7.6460 7.6759 7.6759 10.3402 10.3402 10.4141 10.4141 12.1981 12.1981 12.8899 12.8899 13.5263 13.5263 k =-0.0932 0.0909 0.1302 ( 3795 PWs) bands (ev): -31.4298 -31.4298 -31.4043 -31.4043 -12.8052 -12.8052 -12.7090 -12.7090 -12.4568 -12.4568 -12.3974 -12.3974 -12.3360 -12.3360 -12.3331 -12.3331 -5.7697 -5.7697 -4.1274 -4.1274 -2.1651 -2.1651 -2.0154 -2.0154 0.8548 0.8548 1.2376 1.2376 3.3362 3.3362 3.4814 3.4814 3.4916 3.4916 4.9332 4.9332 5.1359 5.1359 6.9615 6.9615 7.1438 7.1438 7.2879 7.2879 7.7057 7.7057 7.7284 7.7284 10.3083 10.3083 10.5213 10.5213 12.1792 12.1792 12.8895 12.8895 13.3913 13.3913 k =-0.0847 0.0827 0.1184 ( 3795 PWs) bands (ev): -31.4300 -31.4300 -31.4041 -31.4041 -12.8054 -12.8054 -12.7078 -12.7078 -12.4568 -12.4568 -12.3990 -12.3990 -12.3354 -12.3354 -12.3311 -12.3311 -5.7908 -5.7908 -4.0903 -4.0903 -2.1766 -2.1766 -2.0459 -2.0459 0.8955 0.8955 1.3060 1.3060 3.2961 3.2961 3.3994 3.3994 3.4091 3.4091 4.9207 4.9207 5.2025 5.2025 6.9492 6.9492 7.2211 7.2211 7.2301 7.2301 7.7607 7.7607 7.7776 7.7776 10.2795 10.2795 10.6311 10.6311 12.1606 12.1606 12.8894 12.8894 13.2553 13.2553 k =-0.0763 0.0744 0.1065 ( 3795 PWs) bands (ev): -31.4302 -31.4302 -31.4039 -31.4039 -12.8056 -12.8056 -12.7067 -12.7067 -12.4567 -12.4567 -12.4004 -12.4004 -12.3349 -12.3349 -12.3291 -12.3291 -5.8099 -5.8099 -4.0550 -4.0550 -2.1872 -2.1872 -2.0759 -2.0759 0.9367 0.9367 1.3743 1.3743 3.2474 3.2474 3.3275 3.3275 3.3336 3.3336 4.9094 4.9094 5.2660 5.2660 6.9381 6.9381 7.1748 7.1748 7.2931 7.2931 7.8107 7.8107 7.8232 7.8232 10.2537 10.2537 10.7434 10.7434 12.1428 12.1428 12.8897 12.8897 13.1188 13.1188 k =-0.0678 0.0661 0.0947 ( 3797 PWs) bands (ev): -31.4304 -31.4304 -31.4037 -31.4037 -12.8058 -12.8058 -12.7057 -12.7057 -12.4567 -12.4567 -12.4017 -12.4017 -12.3346 -12.3346 -12.3272 -12.3272 -5.8272 -5.8272 -4.0216 -4.0216 -2.1969 -2.1969 -2.1047 -2.1047 0.9776 0.9776 1.4417 1.4417 3.1857 3.1857 3.2483 3.2483 3.2883 3.2883 4.8995 4.8995 5.3260 5.3260 6.9281 6.9281 7.1227 7.1227 7.3591 7.3591 7.8556 7.8556 7.8650 7.8650 10.2309 10.2309 10.8578 10.8578 12.1260 12.1260 12.8902 12.8902 12.9823 12.9823 k =-0.0593 0.0579 0.0829 ( 3789 PWs) bands (ev): -31.4306 -31.4306 -31.4036 -31.4036 -12.8060 -12.8060 -12.7048 -12.7048 -12.4566 -12.4566 -12.4028 -12.4028 -12.3342 -12.3342 -12.3255 -12.3255 -5.8424 -5.8424 -3.9908 -3.9908 -2.2055 -2.2055 -2.1319 -2.1319 1.0174 1.0174 1.5076 1.5076 3.1188 3.1188 3.1719 3.1719 3.2573 3.2573 4.8907 4.8907 5.3817 5.3817 6.9193 6.9193 7.0743 7.0743 7.4186 7.4186 7.8953 7.8953 7.9028 7.9028 10.2110 10.2110 10.9742 10.9742 12.1106 12.1106 12.8459 12.8459 12.8910 12.8910 k =-0.0508 0.0496 0.0710 ( 3793 PWs) bands (ev): -31.4307 -31.4307 -31.4034 -31.4034 -12.8062 -12.8062 -12.7041 -12.7041 -12.4566 -12.4566 -12.4037 -12.4037 -12.3339 -12.3339 -12.3241 -12.3241 -5.8557 -5.8557 -3.9628 -3.9628 -2.2131 -2.2131 -2.1570 -2.1570 1.0553 1.0553 1.5708 1.5708 3.0543 3.0543 3.0994 3.0994 3.2336 3.2336 4.8832 4.8832 5.4326 5.4326 6.9115 6.9115 7.0301 7.0301 7.4711 7.4711 7.9295 7.9295 7.9361 7.9361 10.1940 10.1940 11.0921 11.0921 12.0968 12.0968 12.7107 12.7107 12.8916 12.8916 k =-0.0424 0.0413 0.0592 ( 3783 PWs) bands (ev): -31.4309 -31.4309 -31.4033 -31.4033 -12.8063 -12.8063 -12.7034 -12.7034 -12.4565 -12.4565 -12.4045 -12.4045 -12.3337 -12.3337 -12.3228 -12.3228 -5.8670 -5.8670 -3.9381 -3.9381 -2.2196 -2.2196 -2.1793 -2.1793 1.0901 1.0901 1.6300 1.6300 2.9959 2.9959 3.0323 3.0323 3.2146 3.2146 4.8768 4.8768 5.4779 5.4779 6.9048 6.9048 6.9908 6.9908 7.5163 7.5163 7.9585 7.9585 7.9648 7.9648 10.1796 10.1796 11.2110 11.2110 12.0848 12.0848 12.5769 12.5769 12.8924 12.8924 k =-0.0339 0.0331 0.0474 ( 3787 PWs) bands (ev): -31.4310 -31.4310 -31.4032 -31.4032 -12.8064 -12.8064 -12.7029 -12.7029 -12.4564 -12.4564 -12.4052 -12.4052 -12.3335 -12.3335 -12.3218 -12.3218 -5.8762 -5.8762 -3.9173 -3.9173 -2.2249 -2.2249 -2.1985 -2.1985 1.1208 1.1208 1.6835 1.6835 2.9454 2.9454 2.9723 2.9723 3.1996 3.1996 4.8717 4.8717 5.5166 5.5166 6.8990 6.8990 6.9574 6.9574 7.5538 7.5538 7.9822 7.9822 7.9885 7.9885 10.1681 10.1681 11.3301 11.3301 12.0748 12.0748 12.4454 12.4454 12.8930 12.8930 k =-0.0254 0.0248 0.0355 ( 3787 PWs) bands (ev): -31.4311 -31.4311 -31.4031 -31.4031 -12.8065 -12.8065 -12.7025 -12.7025 -12.4564 -12.4564 -12.4057 -12.4057 -12.3334 -12.3334 -12.3210 -12.3210 -5.8834 -5.8834 -3.9005 -3.9005 -2.2291 -2.2291 -2.2139 -2.2139 1.1463 1.1463 1.7291 1.7291 2.9044 2.9044 2.9217 2.9217 3.1881 3.1881 4.8677 4.8677 5.5480 5.5480 6.8938 6.8938 6.9310 6.9310 7.5833 7.5833 8.0007 8.0007 8.0070 8.0070 10.1591 10.1591 11.4477 11.4477 12.0668 12.0668 12.3182 12.3182 12.8937 12.8937 k =-0.0169 0.0165 0.0237 ( 3787 PWs) bands (ev): -31.4311 -31.4311 -31.4031 -31.4031 -12.8065 -12.8065 -12.7022 -12.7022 -12.4564 -12.4564 -12.4061 -12.4061 -12.3332 -12.3332 -12.3205 -12.3205 -5.8886 -5.8886 -3.8883 -3.8883 -2.2321 -2.2321 -2.2253 -2.2253 1.1654 1.1654 1.7645 1.7645 2.8740 2.8740 2.8829 2.8829 3.1799 3.1799 4.8648 4.8648 5.5712 5.5712 6.8886 6.8886 6.9129 6.9129 7.6045 7.6045 8.0140 8.0140 8.0203 8.0203 10.1528 10.1528 11.5597 11.5597 12.0611 12.0611 12.1993 12.1993 12.8941 12.8941 k =-0.0085 0.0083 0.0118 ( 3783 PWs) bands (ev): -31.4312 -31.4312 -31.4030 -31.4030 -12.8066 -12.8066 -12.7020 -12.7020 -12.4564 -12.4564 -12.4063 -12.4063 -12.3332 -12.3332 -12.3201 -12.3201 -5.8917 -5.8917 -3.8808 -3.8808 -2.2339 -2.2339 -2.2322 -2.2322 1.1772 1.1772 1.7870 1.7870 2.8548 2.8548 2.8588 2.8588 3.1750 3.1750 4.8631 4.8631 5.5854 5.5854 6.8836 6.8836 6.9037 6.9037 7.6174 7.6174 8.0219 8.0219 8.0283 8.0283 10.1490 10.1490 11.6541 11.6541 12.0576 12.0576 12.1008 12.1008 12.8944 12.8944 k = 0.0000 0.0000 0.0000 ( 3783 PWs) bands (ev): -31.4312 -31.4312 -31.4030 -31.4030 -12.8066 -12.8066 -12.7020 -12.7020 -12.4564 -12.4564 -12.4064 -12.4064 -12.3331 -12.3331 -12.3200 -12.3200 -5.8927 -5.8927 -3.8783 -3.8783 -2.2347 -2.2347 -2.2344 -2.2344 1.1813 1.1813 1.7947 1.7947 2.8478 2.8478 2.8511 2.8511 3.1734 3.1734 4.8625 4.8625 5.5902 5.5902 6.8813 6.8813 6.9011 6.9011 7.6217 7.6217 8.0246 8.0246 8.0310 8.0310 10.1477 10.1477 11.6969 11.6969 12.0545 12.0545 12.0586 12.0586 12.8945 12.8945 k = 0.0000 0.0000 0.0000 ( 3783 PWs) bands (ev): -31.4312 -31.4312 -31.4030 -31.4030 -12.8066 -12.8066 -12.7020 -12.7020 -12.4564 -12.4564 -12.4064 -12.4064 -12.3331 -12.3331 -12.3200 -12.3200 -5.8927 -5.8927 -3.8783 -3.8783 -2.2347 -2.2347 -2.2344 -2.2344 1.1813 1.1813 1.7947 1.7947 2.8478 2.8478 2.8511 2.8511 3.1734 3.1734 4.8625 4.8625 5.5902 5.5902 6.8813 6.8813 6.9011 6.9011 7.6217 7.6217 8.0246 8.0246 8.0310 8.0310 10.1477 10.1477 11.6969 11.6969 12.0545 12.0545 12.0586 12.0586 12.8945 12.8945 k = 0.0116 0.0119-0.0000 ( 3783 PWs) bands (ev): -31.4312 -31.4312 -31.4030 -31.4030 -12.8065 -12.8065 -12.7021 -12.7021 -12.4563 -12.4563 -12.4065 -12.4065 -12.3333 -12.3333 -12.3199 -12.3199 -5.8920 -5.8920 -3.8786 -3.8786 -2.2345 -2.2345 -2.2342 -2.2342 1.1816 1.1816 1.7950 1.7950 2.8475 2.8475 2.8509 2.8509 3.1723 3.1723 4.8582 4.8582 5.5923 5.5923 6.8819 6.8819 6.9017 6.9017 7.6220 7.6220 8.0244 8.0244 8.0308 8.0308 10.1532 10.1532 11.6814 11.6814 12.0542 12.0542 12.0583 12.0583 12.9103 12.9103 k = 0.0233 0.0238 0.0000 ( 3791 PWs) bands (ev): -31.4311 -31.4311 -31.4031 -31.4031 -12.8063 -12.8063 -12.7024 -12.7024 -12.4559 -12.4559 -12.4067 -12.4067 -12.3340 -12.3340 -12.3199 -12.3199 -5.8898 -5.8898 -3.8795 -3.8795 -2.2339 -2.2339 -2.2336 -2.2336 1.1827 1.1827 1.7959 1.7959 2.8469 2.8469 2.8502 2.8502 3.1689 3.1689 4.8451 4.8451 5.5988 5.5988 6.8835 6.8835 6.9032 6.9032 7.6231 7.6231 8.0240 8.0240 8.0304 8.0304 10.1697 10.1697 11.6372 11.6372 12.0534 12.0534 12.0576 12.0576 12.9551 12.9551 k = 0.0349 0.0357-0.0000 ( 3791 PWs) bands (ev): -31.4310 -31.4310 -31.4031 -31.4031 -12.8060 -12.8060 -12.7029 -12.7029 -12.4554 -12.4554 -12.4071 -12.4071 -12.3352 -12.3352 -12.3197 -12.3197 -5.8861 -5.8861 -3.8810 -3.8810 -2.2329 -2.2329 -2.2326 -2.2326 1.1845 1.1845 1.7975 1.7975 2.8459 2.8459 2.8492 2.8492 3.1633 3.1633 4.8235 4.8235 5.6096 5.6096 6.8862 6.8862 6.9059 6.9059 7.6250 7.6250 8.0233 8.0233 8.0297 8.0297 10.1968 10.1968 11.5699 11.5699 12.0522 12.0522 12.0563 12.0563 13.0235 13.0235 k = 0.0465 0.0477 0.0000 ( 3787 PWs) bands (ev): -31.4309 -31.4309 -31.4032 -31.4032 -12.8056 -12.8056 -12.7035 -12.7035 -12.4546 -12.4546 -12.4076 -12.4076 -12.3366 -12.3366 -12.3194 -12.3194 -5.8810 -5.8810 -3.8831 -3.8831 -2.2315 -2.2315 -2.2312 -2.2312 1.1870 1.1870 1.7996 1.7996 2.8444 2.8444 2.8477 2.8477 3.1556 3.1556 4.7937 4.7937 5.6247 5.6247 6.8901 6.8901 6.9095 6.9095 7.6275 7.6275 8.0223 8.0223 8.0287 8.0287 10.2344 10.2344 11.4858 11.4858 12.0505 12.0505 12.0547 12.0547 13.1089 13.1089 k = 0.0581 0.0596-0.0000 ( 3787 PWs) bands (ev): -31.4308 -31.4308 -31.4034 -31.4034 -12.8050 -12.8050 -12.7044 -12.7044 -12.4537 -12.4537 -12.4082 -12.4082 -12.3385 -12.3385 -12.3190 -12.3190 -5.8744 -5.8744 -3.8857 -3.8857 -2.2298 -2.2298 -2.2294 -2.2294 1.1903 1.1903 1.8024 1.8024 2.8425 2.8425 2.8457 2.8457 3.1457 3.1457 4.7562 4.7562 5.6440 5.6440 6.8949 6.8949 6.9142 6.9142 7.6308 7.6308 8.0210 8.0210 8.0274 8.0274 10.2818 10.2818 11.3899 11.3899 12.0485 12.0485 12.0527 12.0527 13.2059 13.2059 k = 0.0698 0.0715-0.0000 ( 3787 PWs) bands (ev): -31.4306 -31.4306 -31.4035 -31.4035 -12.8044 -12.8044 -12.7055 -12.7055 -12.4525 -12.4525 -12.4090 -12.4090 -12.3407 -12.3407 -12.3186 -12.3186 -5.8665 -5.8665 -3.8889 -3.8889 -2.2277 -2.2277 -2.2272 -2.2272 1.1942 1.1942 1.8057 1.8057 2.8403 2.8403 2.8434 2.8434 3.1337 3.1337 4.7116 4.7116 5.6675 5.6675 6.9009 6.9009 6.9199 6.9199 7.6348 7.6348 8.0194 8.0194 8.0258 8.0258 10.3386 10.3386 11.2864 11.2864 12.0462 12.0462 12.0505 12.0505 13.3101 13.3101 k = 0.0814 0.0834-0.0000 ( 3787 PWs) bands (ev): -31.4304 -31.4304 -31.4037 -31.4037 -12.8037 -12.8037 -12.7068 -12.7068 -12.4511 -12.4511 -12.4099 -12.4099 -12.3433 -12.3433 -12.3181 -12.3181 -5.8572 -5.8572 -3.8926 -3.8926 -2.2253 -2.2253 -2.2247 -2.2247 1.1989 1.1989 1.8096 1.8096 2.8376 2.8376 2.8407 2.8407 3.1197 3.1197 4.6603 4.6603 5.6952 5.6952 6.9079 6.9079 6.9266 6.9266 7.6395 7.6395 8.0176 8.0176 8.0240 8.0240 10.4041 10.4041 11.1778 11.1778 12.0437 12.0437 12.0480 12.0480 13.4182 13.4182 k = 0.0930 0.0953 0.0000 ( 3779 PWs) bands (ev): -31.4302 -31.4302 -31.4039 -31.4039 -12.8028 -12.8028 -12.7082 -12.7082 -12.4494 -12.4494 -12.4110 -12.4110 -12.3463 -12.3463 -12.3176 -12.3176 -5.8466 -5.8466 -3.8969 -3.8969 -2.2225 -2.2225 -2.2217 -2.2217 1.2042 1.2042 1.8140 1.8140 2.8346 2.8346 2.8376 2.8376 3.1039 3.1039 4.6031 4.6031 5.7269 5.7269 6.9158 6.9158 6.9343 6.9343 7.6449 7.6449 8.0156 8.0156 8.0219 8.0219 10.4776 10.4776 11.0662 11.0662 12.0411 12.0411 12.0455 12.0455 13.5274 13.5274 k = 0.1047 0.1072 0.0000 ( 3783 PWs) bands (ev): -31.4299 -31.4299 -31.4042 -31.4042 -12.8020 -12.8020 -12.7099 -12.7099 -12.4476 -12.4476 -12.4121 -12.4121 -12.3495 -12.3495 -12.3169 -12.3169 -5.8347 -5.8347 -3.9016 -3.9016 -2.2195 -2.2195 -2.2185 -2.2185 1.2102 1.2102 1.8190 1.8190 2.8313 2.8313 2.8342 2.8342 3.0862 3.0862 4.5406 4.5406 5.7626 5.7626 6.9248 6.9248 6.9429 6.9429 7.6509 7.6509 8.0133 8.0133 8.0196 8.0196 10.5584 10.5584 10.9530 10.9530 12.0385 12.0385 12.0430 12.0430 13.6348 13.6348 k = 0.1163 0.1192 0.0000 ( 3783 PWs) bands (ev): -31.4296 -31.4296 -31.4045 -31.4045 -12.8010 -12.8010 -12.7118 -12.7118 -12.4456 -12.4456 -12.4134 -12.4134 -12.3530 -12.3530 -12.3162 -12.3162 -5.8217 -5.8217 -3.9068 -3.9068 -2.2161 -2.2161 -2.2149 -2.2149 1.2168 1.2168 1.8245 1.8245 2.8276 2.8276 2.8303 2.8303 3.0668 3.0668 4.4735 4.4735 5.8022 5.8022 6.9347 6.9347 6.9524 6.9524 7.6575 7.6575 8.0108 8.0108 8.0171 8.0171 10.6459 10.6459 10.8392 10.8392 12.0361 12.0361 12.0407 12.0407 13.7373 13.7373 k = 0.1279 0.1311-0.0000 ( 3783 PWs) bands (ev): -31.4293 -31.4293 -31.4048 -31.4048 -12.8001 -12.8001 -12.7140 -12.7140 -12.4433 -12.4433 -12.4148 -12.4148 -12.3566 -12.3566 -12.3154 -12.3154 -5.8075 -5.8075 -3.9124 -3.9124 -2.2124 -2.2124 -2.2110 -2.2110 1.2240 1.2240 1.8305 1.8305 2.8235 2.8235 2.8262 2.8262 3.0458 3.0458 4.4024 4.4024 5.8456 5.8456 6.9456 6.9456 6.9628 6.9628 7.6647 7.6647 8.0081 8.0081 8.0144 8.0144 10.7254 10.7254 10.7392 10.7392 12.0339 12.0339 12.0386 12.0386 13.8309 13.8309 k = 0.1395 0.1430-0.0000 ( 3783 PWs) bands (ev): -31.4290 -31.4290 -31.4051 -31.4051 -12.7991 -12.7991 -12.7164 -12.7164 -12.4407 -12.4407 -12.4163 -12.4163 -12.3605 -12.3605 -12.3146 -12.3146 -5.7922 -5.7922 -3.9183 -3.9183 -2.2085 -2.2085 -2.2068 -2.2068 1.2319 1.2319 1.8369 1.8369 2.8192 2.8192 2.8218 2.8218 3.0234 3.0234 4.3280 4.3280 5.8926 5.8926 6.9573 6.9573 6.9741 6.9741 7.6724 7.6724 8.0052 8.0052 8.0115 8.0115 10.6125 10.6125 10.8379 10.8379 12.0321 12.0321 12.0369 12.0369 13.9101 13.9101 k = 0.1512 0.1549-0.0000 ( 3783 PWs) bands (ev): -31.4286 -31.4286 -31.4054 -31.4054 -12.7981 -12.7981 -12.7190 -12.7190 -12.4380 -12.4380 -12.4179 -12.4179 -12.3645 -12.3645 -12.3138 -12.3138 -5.7759 -5.7759 -3.9247 -3.9247 -2.2044 -2.2044 -2.2024 -2.2024 1.2403 1.2403 1.8438 1.8438 2.8146 2.8146 2.8171 2.8171 2.9997 2.9997 4.2509 4.2509 5.9432 5.9432 6.9699 6.9699 6.9861 6.9861 7.6807 7.6807 8.0021 8.0021 8.0084 8.0084 10.5007 10.5007 10.9411 10.9411 12.0307 12.0307 12.0356 12.0356 13.9678 13.9678 k = 0.1628 0.1668-0.0000 ( 3775 PWs) bands (ev): -31.4282 -31.4282 -31.4057 -31.4057 -12.7971 -12.7971 -12.7218 -12.7218 -12.4350 -12.4350 -12.4196 -12.4196 -12.3686 -12.3686 -12.3129 -12.3129 -5.7586 -5.7586 -3.9314 -3.9314 -2.2000 -2.2000 -2.1977 -2.1977 1.2493 1.2493 1.8510 1.8510 2.8098 2.8098 2.8121 2.8121 2.9748 2.9748 4.1716 4.1716 5.9972 5.9972 6.9833 6.9833 6.9990 6.9990 7.6895 7.6895 7.9989 7.9989 8.0052 8.0052 10.3905 10.3905 11.0483 11.0483 12.0300 12.0300 12.0350 12.0350 13.9968 13.9968 k = 0.1744 0.1787-0.0000 ( 3771 PWs) bands (ev): -31.4278 -31.4278 -31.4061 -31.4061 -12.7961 -12.7961 -12.7248 -12.7248 -12.4318 -12.4318 -12.4213 -12.4213 -12.3727 -12.3727 -12.3119 -12.3119 -5.7405 -5.7405 -3.9383 -3.9383 -2.1954 -2.1954 -2.1928 -2.1928 1.2588 1.2588 1.8586 1.8586 2.8047 2.8047 2.8069 2.8069 2.9488 2.9488 4.0907 4.0907 6.0544 6.0544 6.9974 6.9974 7.0125 7.0125 7.6987 7.6987 7.9956 7.9956 8.0019 8.0019 10.2823 10.2823 11.1588 11.1588 12.0299 12.0299 12.0351 12.0351 13.9933 13.9933 k = 0.1860 0.1907-0.0000 ( 3775 PWs) bands (ev): -31.4274 -31.4274 -31.4065 -31.4065 -12.7952 -12.7952 -12.7281 -12.7281 -12.4285 -12.4285 -12.4232 -12.4232 -12.3769 -12.3769 -12.3109 -12.3109 -5.7217 -5.7217 -3.9455 -3.9455 -2.1907 -2.1907 -2.1878 -2.1878 1.2687 1.2687 1.8666 1.8666 2.7995 2.7995 2.8015 2.8015 2.9220 2.9220 4.0086 4.0086 6.1147 6.1147 7.0122 7.0122 7.0267 7.0267 7.7083 7.7083 7.9922 7.9922 7.9984 7.9984 10.1764 10.1764 11.2723 11.2723 12.0307 12.0307 12.0360 12.0360 13.9590 13.9590 k = 0.1977 0.2026 0.0000 ( 3791 PWs) bands (ev): -31.4270 -31.4270 -31.4069 -31.4069 -12.7944 -12.7944 -12.7316 -12.7316 -12.4252 -12.4252 -12.4251 -12.4251 -12.3810 -12.3810 -12.3099 -12.3099 -5.7022 -5.7022 -3.9529 -3.9529 -2.1858 -2.1858 -2.1826 -2.1826 1.2791 1.2791 1.8748 1.8748 2.7941 2.7941 2.7960 2.7960 2.8945 2.8945 3.9260 3.9260 6.1778 6.1778 7.0276 7.0276 7.0415 7.0415 7.7183 7.7183 7.9887 7.9887 7.9949 7.9949 10.0730 10.0730 11.3880 11.3880 12.0323 12.0323 12.0377 12.0377 13.9003 13.9003 k = 0.2093 0.2145-0.0000 ( 3799 PWs) bands (ev): -31.4266 -31.4266 -31.4073 -31.4073 -12.7936 -12.7936 -12.7353 -12.7353 -12.4271 -12.4271 -12.4214 -12.4214 -12.3852 -12.3852 -12.3088 -12.3088 -5.6821 -5.6821 -3.9605 -3.9605 -2.1809 -2.1809 -2.1772 -2.1772 1.2899 1.2899 1.8833 1.8833 2.7885 2.7885 2.7902 2.7902 2.8663 2.8663 3.8431 3.8431 6.2437 6.2437 7.0435 7.0435 7.0568 7.0568 7.7286 7.7286 7.9851 7.9851 7.9913 7.9913 9.9725 9.9725 11.5056 11.5056 12.0348 12.0348 12.0404 12.0404 13.8238 13.8238 k = 0.2209 0.2264 0.0000 ( 3811 PWs) bands (ev): -31.4261 -31.4261 -31.4077 -31.4077 -12.7929 -12.7929 -12.7393 -12.7393 -12.4291 -12.4291 -12.4175 -12.4175 -12.3893 -12.3893 -12.3079 -12.3079 -5.6616 -5.6616 -3.9681 -3.9681 -2.1758 -2.1758 -2.1718 -2.1718 1.3010 1.3010 1.8921 1.8921 2.7828 2.7828 2.7844 2.7844 2.8378 2.8378 3.7604 3.7604 6.3120 6.3120 7.0600 7.0600 7.0727 7.0727 7.7392 7.7392 7.9814 7.9814 7.9876 7.9876 9.8750 9.8750 11.6246 11.6246 12.0382 12.0382 12.0440 12.0440 13.7347 13.7347 k = 0.2326 0.2383 0.0000 ( 3823 PWs) bands (ev): -31.4257 -31.4257 -31.4082 -31.4082 -12.7921 -12.7921 -12.7435 -12.7435 -12.4311 -12.4311 -12.4134 -12.4134 -12.3933 -12.3933 -12.3069 -12.3069 -5.6407 -5.6407 -3.9759 -3.9759 -2.1706 -2.1706 -2.1663 -2.1663 1.3124 1.3124 1.9010 1.9010 2.7770 2.7770 2.7785 2.7785 2.8090 2.8090 3.6783 3.6783 6.3825 6.3825 7.0769 7.0769 7.0889 7.0889 7.7500 7.7500 7.9778 7.9778 7.9840 7.9840 9.7808 9.7808 11.7445 11.7445 12.0428 12.0428 12.0487 12.0487 13.6367 13.6367 k = 0.2442 0.2502-0.0000 ( 3807 PWs) bands (ev): -31.4253 -31.4253 -31.4086 -31.4086 -12.7914 -12.7914 -12.7477 -12.7477 -12.4330 -12.4330 -12.4092 -12.4092 -12.3971 -12.3971 -12.3058 -12.3058 -5.6196 -5.6196 -3.9836 -3.9836 -2.1654 -2.1654 -2.1607 -2.1607 1.3241 1.3241 1.9101 1.9101 2.7710 2.7710 2.7725 2.7725 2.7803 2.7803 3.5972 3.5972 6.4549 6.4549 7.0941 7.0941 7.1054 7.1054 7.7609 7.7609 7.9741 7.9741 7.9803 7.9803 9.6902 9.6902 11.8652 11.8652 12.0484 12.0484 12.0546 12.0546 13.5323 13.5323 k = 0.2558 0.2621 0.0000 ( 3803 PWs) bands (ev): -31.4248 -31.4248 -31.4090 -31.4090 -12.7909 -12.7909 -12.7521 -12.7521 -12.4350 -12.4350 -12.4050 -12.4050 -12.4006 -12.4006 -12.3047 -12.3047 -5.5982 -5.5982 -3.9914 -3.9914 -2.1602 -2.1602 -2.1552 -2.1552 1.3359 1.3359 1.9193 1.9193 2.7510 2.7510 2.7656 2.7656 2.7665 2.7665 3.5173 3.5173 6.5289 6.5289 7.1115 7.1115 7.1221 7.1221 7.7719 7.7719 7.9705 7.9705 7.9766 7.9766 9.6035 9.6035 11.9859 11.9859 12.0553 12.0553 12.0616 12.0616 13.4231 13.4231 k = 0.2674 0.2741 0.0000 ( 3795 PWs) bands (ev): -31.4243 -31.4243 -31.4094 -31.4094 -12.7904 -12.7904 -12.7565 -12.7565 -12.4370 -12.4370 -12.4043 -12.4043 -12.4005 -12.4005 -12.3036 -12.3036 -5.5768 -5.5768 -3.9991 -3.9991 -2.1551 -2.1551 -2.1497 -2.1497 1.3479 1.3479 1.9286 1.9286 2.7224 2.7224 2.7597 2.7597 2.7606 2.7606 3.4389 3.4389 6.6042 6.6042 7.1291 7.1291 7.1391 7.1391 7.7830 7.7830 7.9669 7.9669 7.9730 7.9730 9.5209 9.5209 12.0628 12.0628 12.0697 12.0697 12.1070 12.1070 13.3104 13.3104 k = 0.2791 0.2860-0.0000 ( 3803 PWs) bands (ev): -31.4239 -31.4239 -31.4098 -31.4098 -12.7900 -12.7900 -12.7611 -12.7611 -12.4390 -12.4390 -12.4075 -12.4075 -12.3963 -12.3963 -12.3025 -12.3025 -5.5555 -5.5555 -4.0067 -4.0067 -2.1500 -2.1500 -2.1442 -2.1442 1.3598 1.3598 1.9380 1.9380 2.6941 2.6941 2.7539 2.7539 2.7547 2.7547 3.3624 3.3624 6.6803 6.6803 7.1468 7.1468 7.1560 7.1560 7.7940 7.7940 7.9634 7.9634 7.9695 7.9695 9.4426 9.4426 12.0720 12.0720 12.0789 12.0789 12.2269 12.2269 13.1953 13.1953 k = 0.2907 0.2979 0.0000 ( 3803 PWs) bands (ev): -31.4235 -31.4235 -31.4102 -31.4102 -12.7896 -12.7896 -12.7658 -12.7658 -12.4410 -12.4410 -12.4106 -12.4106 -12.3919 -12.3919 -12.3014 -12.3014 -5.5344 -5.5344 -4.0142 -4.0142 -2.1449 -2.1449 -2.1388 -2.1388 1.3718 1.3718 1.9474 1.9474 2.6663 2.6663 2.7482 2.7482 2.7488 2.7488 3.2879 3.2879 6.7569 6.7569 7.1644 7.1644 7.1730 7.1730 7.8050 7.8050 7.9599 7.9599 7.9660 7.9660 9.3689 9.3689 12.0821 12.0821 12.0893 12.0893 12.3462 12.3462 13.0785 13.0785 k = 0.3023 0.3098-0.0000 ( 3803 PWs) bands (ev): -31.4230 -31.4230 -31.4106 -31.4106 -12.7894 -12.7894 -12.7705 -12.7705 -12.4429 -12.4429 -12.4135 -12.4135 -12.3875 -12.3875 -12.3004 -12.3004 -5.5135 -5.5135 -4.0215 -4.0215 -2.1400 -2.1400 -2.1335 -2.1335 1.3837 1.3837 1.9569 1.9569 2.6391 2.6391 2.7426 2.7426 2.7431 2.7431 3.2158 3.2158 6.8335 6.8335 7.1819 7.1819 7.1898 7.1898 7.8159 7.8159 7.9565 7.9565 7.9626 7.9626 9.3002 9.3002 12.0933 12.0933 12.1006 12.1006 12.4641 12.4641 12.9606 12.9606 k = 0.3140 0.3217 0.0000 ( 3823 PWs) bands (ev): -31.4226 -31.4226 -31.4110 -31.4110 -12.7892 -12.7892 -12.7753 -12.7753 -12.4447 -12.4447 -12.4164 -12.4164 -12.3832 -12.3832 -12.2995 -12.2995 -5.4931 -5.4931 -4.0286 -4.0286 -2.1352 -2.1352 -2.1284 -2.1284 1.3954 1.3954 1.9663 1.9663 2.6126 2.6126 2.7371 2.7371 2.7374 2.7374 3.1463 3.1463 6.9095 6.9095 7.1992 7.1992 7.2064 7.2064 7.8265 7.8265 7.9532 7.9532 7.9593 7.9593 9.2368 9.2368 12.1054 12.1054 12.1130 12.1130 12.5804 12.5804 12.8425 12.8425 k = 0.3256 0.3336-0.0000 ( 3819 PWs) bands (ev): -31.4222 -31.4222 -31.4114 -31.4114 -12.7890 -12.7890 -12.7799 -12.7799 -12.4465 -12.4465 -12.4189 -12.4189 -12.3789 -12.3789 -12.2985 -12.2985 -5.4733 -5.4733 -4.0355 -4.0355 -2.1306 -2.1306 -2.1234 -2.1234 1.4069 1.4069 1.9756 1.9756 2.5871 2.5871 2.7318 2.7318 2.7320 2.7320 3.0795 3.0795 6.9844 6.9844 7.2161 7.2161 7.2227 7.2227 7.8369 7.8369 7.9501 7.9501 7.9561 7.9561 9.1789 9.1789 12.1184 12.1184 12.1263 12.1263 12.6946 12.6946 12.7247 12.7247 k = 0.3372 0.3456-0.0000 ( 3815 PWs) bands (ev): -31.4218 -31.4218 -31.4118 -31.4118 -12.7889 -12.7889 -12.7843 -12.7843 -12.4483 -12.4483 -12.4212 -12.4212 -12.3747 -12.3747 -12.2975 -12.2975 -5.4540 -5.4540 -4.0421 -4.0421 -2.1261 -2.1261 -2.1186 -2.1186 1.4181 1.4181 1.9848 1.9848 2.5626 2.5626 2.7266 2.7266 2.7268 2.7268 3.0157 3.0157 7.0575 7.0575 7.2326 7.2326 7.2385 7.2385 7.8469 7.8469 7.9470 7.9470 7.9531 7.9531 9.1269 9.1269 12.1323 12.1323 12.1404 12.1404 12.6078 12.6078 12.8063 12.8063 k = 0.3488 0.3575 0.0000 ( 3807 PWs) bands (ev): -31.4215 -31.4215 -31.4121 -31.4121 -12.7893 -12.7893 -12.7882 -12.7882 -12.4498 -12.4498 -12.4233 -12.4233 -12.3706 -12.3706 -12.2966 -12.2966 -5.4355 -5.4355 -4.0484 -4.0484 -2.1218 -2.1218 -2.1141 -2.1141 1.4290 1.4290 1.9940 1.9940 2.5392 2.5392 2.7217 2.7217 2.7218 2.7218 2.9551 2.9551 7.1282 7.1282 7.2485 7.2485 7.2538 7.2538 7.8566 7.8566 7.9442 7.9442 7.9502 7.9502 9.0811 9.0811 12.1468 12.1468 12.1551 12.1551 12.4926 12.4926 12.9149 12.9149 k = 0.3605 0.3694-0.0000 ( 3807 PWs) bands (ev): -31.4211 -31.4211 -31.4124 -31.4124 -12.7932 -12.7932 -12.7886 -12.7886 -12.4514 -12.4514 -12.4252 -12.4252 -12.3668 -12.3668 -12.2958 -12.2958 -5.4178 -5.4178 -4.0543 -4.0543 -2.1178 -2.1178 -2.1097 -2.1097 1.4394 1.4394 2.0029 2.0029 2.5171 2.5171 2.7170 2.7170 2.7172 2.7172 2.8978 2.8978 7.1957 7.1957 7.2638 7.2638 7.2685 7.2685 7.8658 7.8658 7.9414 7.9414 7.9475 7.9475 9.0417 9.0417 12.1618 12.1618 12.1704 12.1704 12.3797 12.3797 13.0200 13.0200 k = 0.3721 0.3813-0.0000 ( 3807 PWs) bands (ev): -31.4208 -31.4208 -31.4128 -31.4128 -12.7971 -12.7971 -12.7887 -12.7887 -12.4529 -12.4529 -12.4269 -12.4269 -12.3632 -12.3632 -12.2949 -12.2949 -5.4011 -5.4011 -4.0599 -4.0599 -2.1140 -2.1140 -2.1057 -2.1057 1.4492 1.4492 2.0117 2.0117 2.4964 2.4964 2.7125 2.7125 2.7128 2.7128 2.8441 2.8441 7.2593 7.2593 7.2783 7.2783 7.2824 7.2824 7.8746 7.8746 7.9389 7.9389 7.9449 7.9449 9.0090 9.0090 12.1772 12.1772 12.1861 12.1861 12.2700 12.2700 13.1208 13.1208 k = 0.3837 0.3932 0.0000 ( 3823 PWs) bands (ev): -31.4205 -31.4205 -31.4131 -31.4131 -12.8010 -12.8010 -12.7889 -12.7889 -12.4543 -12.4543 -12.4285 -12.4285 -12.3598 -12.3598 -12.2942 -12.2942 -5.3855 -5.3855 -4.0651 -4.0651 -2.1104 -2.1104 -2.1019 -2.1019 1.4585 1.4585 2.0203 2.0203 2.4771 2.4771 2.7083 2.7083 2.7087 2.7087 2.7940 2.7940 7.2919 7.2919 7.2955 7.2955 7.3184 7.3184 7.8828 7.8828 7.9365 7.9365 7.9426 7.9426 8.9830 8.9830 12.1641 12.1641 12.1927 12.1927 12.2018 12.2018 13.2168 13.2168 k = 0.3953 0.4051 0.0000 ( 3823 PWs) bands (ev): -31.4202 -31.4202 -31.4133 -31.4133 -12.8045 -12.8045 -12.7889 -12.7889 -12.4556 -12.4556 -12.4298 -12.4298 -12.3566 -12.3566 -12.2935 -12.2935 -5.3711 -5.3711 -4.0699 -4.0699 -2.1072 -2.1072 -2.0984 -2.0984 1.4671 1.4671 2.0285 2.0285 2.4594 2.4594 2.7045 2.7045 2.7049 2.7049 2.7479 2.7479 7.3046 7.3046 7.3077 7.3077 7.3722 7.3722 7.8903 7.8903 7.9344 7.9344 7.9404 7.9404 8.9636 8.9636 12.0633 12.0633 12.2080 12.2080 12.2174 12.2174 13.3071 13.3071 k = 0.4070 0.4170 0.0000 ( 3815 PWs) bands (ev): -31.4199 -31.4199 -31.4136 -31.4136 -12.8077 -12.8077 -12.7890 -12.7890 -12.4567 -12.4567 -12.4310 -12.4310 -12.3536 -12.3536 -12.2928 -12.2928 -5.3579 -5.3579 -4.0742 -4.0742 -2.1042 -2.1042 -2.0952 -2.0952 1.4750 1.4750 2.0365 2.0365 2.4433 2.4433 2.7010 2.7010 2.7014 2.7014 2.7059 2.7059 7.3163 7.3163 7.3189 7.3189 7.4203 7.4203 7.8973 7.8973 7.9324 7.9324 7.9384 7.9384 8.9505 8.9505 11.9682 11.9682 12.2230 12.2230 12.2327 12.2327 13.3913 13.3913 k = 0.4186 0.4290-0.0000 ( 3831 PWs) bands (ev): -31.4197 -31.4197 -31.4138 -31.4138 -12.8107 -12.8107 -12.7892 -12.7892 -12.4579 -12.4579 -12.4321 -12.4321 -12.3510 -12.3510 -12.2923 -12.2923 -5.3460 -5.3460 -4.0781 -4.0781 -2.1016 -2.1016 -2.0924 -2.0924 1.4822 1.4822 2.0440 2.0440 2.4289 2.4289 2.6678 2.6678 2.6979 2.6979 2.6985 2.6985 7.3267 7.3267 7.3290 7.3290 7.4624 7.4624 7.9035 7.9035 7.9307 7.9307 7.9367 7.9367 8.9431 8.9431 11.8802 11.8802 12.2373 12.2373 12.2472 12.2472 13.4682 13.4682 k = 0.4302 0.4409-0.0000 ( 3831 PWs) bands (ev): -31.4194 -31.4194 -31.4140 -31.4140 -12.8133 -12.8133 -12.7893 -12.7893 -12.4588 -12.4588 -12.4330 -12.4330 -12.3487 -12.3487 -12.2918 -12.2918 -5.3356 -5.3356 -4.0815 -4.0815 -2.0993 -2.0993 -2.0899 -2.0899 1.4885 1.4885 2.0509 2.0509 2.4163 2.4163 2.6343 2.6343 2.6951 2.6951 2.6958 2.6958 7.3360 7.3360 7.3379 7.3379 7.4982 7.4982 7.9090 7.9090 7.9292 7.9292 7.9351 7.9351 8.9407 8.9407 11.8003 11.8003 12.2506 12.2506 12.2607 12.2607 13.5371 13.5371 k = 0.4419 0.4528 0.0000 ( 3820 PWs) bands (ev): -31.4193 -31.4193 -31.4142 -31.4142 -12.8155 -12.8155 -12.7893 -12.7893 -12.4595 -12.4595 -12.4336 -12.4336 -12.3466 -12.3466 -12.2913 -12.2913 -5.3266 -5.3266 -4.0844 -4.0844 -2.0973 -2.0973 -2.0878 -2.0878 1.4939 1.4939 2.0572 2.0572 2.4056 2.4056 2.6054 2.6054 2.6928 2.6928 2.6935 2.6935 7.3439 7.3439 7.3455 7.3455 7.5278 7.5278 7.9137 7.9137 7.9279 7.9279 7.9338 7.9338 8.9420 8.9420 11.7298 11.7298 12.2627 12.2627 12.2730 12.2730 13.5972 13.5972 k = 0.4535 0.4647 0.0000 ( 3820 PWs) bands (ev): -31.4191 -31.4191 -31.4143 -31.4143 -12.8174 -12.8174 -12.7894 -12.7894 -12.4602 -12.4602 -12.4343 -12.4343 -12.3450 -12.3450 -12.2909 -12.2909 -5.3192 -5.3192 -4.0868 -4.0868 -2.0956 -2.0956 -2.0860 -2.0860 1.4984 1.4984 2.0627 2.0627 2.3967 2.3967 2.5814 2.5814 2.6908 2.6908 2.6916 2.6916 7.3505 7.3505 7.3519 7.3519 7.5514 7.5514 7.9175 7.9175 7.9268 7.9268 7.9328 7.9328 8.9458 8.9458 11.6699 11.6699 12.2730 12.2730 12.2835 12.2835 13.6475 13.6475 k = 0.4651 0.4766 0.0000 ( 3820 PWs) bands (ev): -31.4190 -31.4190 -31.4144 -31.4144 -12.8188 -12.8188 -12.7895 -12.7895 -12.4607 -12.4607 -12.4347 -12.4347 -12.3436 -12.3436 -12.2907 -12.2907 -5.3134 -5.3134 -4.0886 -4.0886 -2.0943 -2.0943 -2.0847 -2.0847 1.5019 1.5019 2.0672 2.0672 2.3898 2.3898 2.5624 2.5624 2.6893 2.6893 2.6901 2.6901 7.3557 7.3557 7.3569 7.3569 7.5693 7.5693 7.9206 7.9206 7.9260 7.9260 7.9319 7.9319 8.9506 8.9506 11.6219 11.6219 12.2815 12.2815 12.2921 12.2921 13.6865 13.6881 k = 0.4767 0.4885-0.0000 ( 3820 PWs) bands (ev): -31.4189 -31.4189 -31.4145 -31.4145 -12.8199 -12.8199 -12.7895 -12.7895 -12.4610 -12.4610 -12.4350 -12.4350 -12.3427 -12.3427 -12.2905 -12.2905 -5.3092 -5.3092 -4.0900 -4.0900 -2.0934 -2.0934 -2.0837 -2.0837 1.5045 1.5045 2.0705 2.0705 2.3848 2.3848 2.5486 2.5486 2.6882 2.6882 2.6891 2.6891 7.3595 7.3595 7.3605 7.3605 7.5818 7.5818 7.9228 7.9228 7.9254 7.9254 7.9313 7.9313 8.9551 8.9551 11.5866 11.5866 12.2877 12.2877 12.2984 12.2984 13.6966 13.7031 k = 0.4884 0.5005-0.0000 ( 3816 PWs) bands (ev): -31.4189 -31.4189 -31.4145 -31.4145 -12.8205 -12.8205 -12.7896 -12.7896 -12.4613 -12.4613 -12.4352 -12.4352 -12.3421 -12.3421 -12.2903 -12.2903 -5.3067 -5.3067 -4.0908 -4.0908 -2.0929 -2.0929 -2.0831 -2.0831 1.5060 1.5060 2.0726 2.0726 2.3818 2.3818 2.5403 2.5403 2.6876 2.6876 2.6884 2.6884 7.3618 7.3618 7.3627 7.3627 7.5891 7.5891 7.9241 7.9241 7.9250 7.9250 7.9310 7.9310 8.9583 8.9583 11.5651 11.5651 12.2915 12.2915 12.3023 12.3023 13.6884 13.6889 k = 0.5000 0.5124 0.0000 ( 3828 PWs) bands (ev): -31.4189 -31.4189 -31.4146 -31.4146 -12.8208 -12.8208 -12.7896 -12.7896 -12.4614 -12.4614 -12.4353 -12.4353 -12.3420 -12.3420 -12.2903 -12.2903 -5.3058 -5.3058 -4.0911 -4.0911 -2.0927 -2.0927 -2.0829 -2.0829 1.5065 1.5065 2.0733 2.0733 2.3808 2.3808 2.5375 2.5375 2.6873 2.6873 2.6882 2.6882 7.3625 7.3625 7.3634 7.3634 7.5916 7.5916 7.9246 7.9246 7.9249 7.9249 7.9308 7.9308 8.9595 8.9595 11.5579 11.5579 12.2928 12.2928 12.3037 12.3037 13.6856 13.6857 k = 0.5000 0.5124 0.0000 ( 3828 PWs) bands (ev): -31.4189 -31.4189 -31.4146 -31.4146 -12.8208 -12.8208 -12.7896 -12.7896 -12.4614 -12.4614 -12.4353 -12.4353 -12.3420 -12.3420 -12.2903 -12.2903 -5.3058 -5.3058 -4.0911 -4.0911 -2.0927 -2.0927 -2.0829 -2.0829 1.5065 1.5065 2.0733 2.0733 2.3808 2.3808 2.5375 2.5375 2.6873 2.6873 2.6882 2.6882 7.3625 7.3625 7.3634 7.3634 7.5916 7.5916 7.9246 7.9246 7.9249 7.9249 7.9308 7.9308 8.9595 8.9595 11.5579 11.5579 12.2928 12.2928 12.3037 12.3037 13.6855 13.6857 k = 0.4915 0.5206 0.0119 ( 3820 PWs) bands (ev): -31.4188 -31.4188 -31.4146 -31.4146 -12.8207 -12.8207 -12.7895 -12.7895 -12.4612 -12.4612 -12.4353 -12.4353 -12.3420 -12.3420 -12.2904 -12.2904 -5.3053 -5.3053 -4.0927 -4.0927 -2.0922 -2.0922 -2.0824 -2.0824 1.4990 1.4990 2.0639 2.0639 2.3828 2.3828 2.5390 2.5390 2.6978 2.6978 2.6987 2.6987 7.3369 7.3369 7.3641 7.3641 7.6145 7.6145 7.8963 7.8963 7.9244 7.9244 7.9484 7.9484 8.9628 8.9628 11.5606 11.5606 12.2871 12.2871 12.3039 12.3039 13.6870 13.6871 k = 0.4830 0.5289 0.0237 ( 3820 PWs) bands (ev): -31.4188 -31.4188 -31.4146 -31.4146 -12.8206 -12.8206 -12.7893 -12.7893 -12.4610 -12.4610 -12.4355 -12.4355 -12.3419 -12.3419 -12.2907 -12.2907 -5.3038 -5.3038 -4.0978 -4.0978 -2.0906 -2.0906 -2.0809 -2.0809 1.4774 1.4774 2.0374 2.0374 2.3893 2.3893 2.5435 2.5435 2.7272 2.7272 2.7292 2.7292 7.2772 7.2772 7.3677 7.3677 7.6645 7.6645 7.8592 7.8592 7.9143 7.9143 7.9623 7.9623 8.9729 8.9729 11.5687 11.5687 12.2612 12.2612 12.3136 12.3136 13.6937 13.6983 k = 0.4746 0.5372 0.0356 ( 3825 PWs) bands (ev): -31.4188 -31.4188 -31.4147 -31.4147 -12.8204 -12.8204 -12.7890 -12.7890 -12.4606 -12.4606 -12.4357 -12.4357 -12.3420 -12.3420 -12.2911 -12.2911 -5.3012 -5.3012 -4.1061 -4.1061 -2.0881 -2.0881 -2.0784 -2.0784 1.4432 1.4432 1.9977 1.9977 2.4012 2.4012 2.5511 2.5511 2.7713 2.7713 2.7770 2.7770 7.2041 7.2041 7.3736 7.3736 7.7211 7.7211 7.8148 7.8148 7.8976 7.8976 7.9684 7.9684 8.9904 8.9904 11.5821 11.5821 12.2175 12.2175 12.3317 12.3317 13.6884 13.6980 k = 0.4661 0.5455 0.0474 ( 3817 PWs) bands (ev): -31.4187 -31.4187 -31.4147 -31.4147 -12.8202 -12.8202 -12.7886 -12.7886 -12.4600 -12.4600 -12.4359 -12.4359 -12.3420 -12.3420 -12.2917 -12.2917 -5.2976 -5.2976 -4.1177 -4.1177 -2.0846 -2.0846 -2.0749 -2.0749 1.3989 1.3989 1.9489 1.9489 2.4194 2.4194 2.5616 2.5616 2.8261 2.8261 2.8390 2.8390 7.1254 7.1254 7.3818 7.3818 7.7635 7.7635 7.7755 7.7755 7.8745 7.8745 7.9665 7.9665 9.0160 9.0160 11.6005 11.6005 12.1587 12.1587 12.3571 12.3571 13.6842 13.6865 k = 0.4576 0.5538 0.0593 ( 3833 PWs) bands (ev): -31.4186 -31.4186 -31.4149 -31.4149 -12.8199 -12.8199 -12.7881 -12.7881 -12.4592 -12.4592 -12.4363 -12.4363 -12.3421 -12.3421 -12.2926 -12.2926 -5.2929 -5.2929 -4.1326 -4.1326 -2.0801 -2.0801 -2.0704 -2.0704 1.3470 1.3470 1.8943 1.8943 2.4443 2.4443 2.5751 2.5751 2.8884 2.8884 2.9120 2.9120 7.0443 7.0443 7.3924 7.3924 7.7057 7.7057 7.8241 7.8241 7.8452 7.8452 7.9567 7.9567 9.0506 9.0506 11.6237 11.6237 12.0870 12.0870 12.3895 12.3895 13.6681 13.6682 k = 0.4491 0.5620 0.0711 ( 3829 PWs) bands (ev): -31.4185 -31.4185 -31.4150 -31.4150 -12.8195 -12.8195 -12.7874 -12.7874 -12.4583 -12.4583 -12.4366 -12.4366 -12.3421 -12.3421 -12.2935 -12.2935 -5.2872 -5.2872 -4.1505 -4.1505 -2.0748 -2.0748 -2.0648 -2.0648 1.2895 1.2895 1.8361 1.8361 2.4758 2.4758 2.5916 2.5916 2.9558 2.9558 2.9938 2.9938 6.9623 6.9623 7.4053 7.4053 7.6420 7.6420 7.8101 7.8101 7.8647 7.8647 7.9392 7.9392 9.0949 9.0949 11.6514 11.6514 12.0044 12.0044 12.4285 12.4285 13.6317 13.6317 k = 0.4406 0.5703 0.0830 ( 3821 PWs) bands (ev): -31.4183 -31.4183 -31.4151 -31.4151 -12.8191 -12.8191 -12.7866 -12.7866 -12.4571 -12.4571 -12.4371 -12.4371 -12.3421 -12.3421 -12.2947 -12.2947 -5.2804 -5.2804 -4.1714 -4.1714 -2.0686 -2.0686 -2.0581 -2.0581 1.2284 1.2284 1.7759 1.7759 2.5139 2.5139 2.6110 2.6110 3.0267 3.0267 3.0826 3.0826 6.8801 6.8801 7.4206 7.4206 7.5727 7.5727 7.7694 7.7694 7.8962 7.8962 7.9143 7.9143 9.1495 9.1495 11.6832 11.6832 11.9129 11.9129 12.4739 12.4739 13.5815 13.5815 k = 0.4322 0.5786 0.0948 ( 3819 PWs) bands (ev): -31.4181 -31.4181 -31.4153 -31.4153 -12.8186 -12.8186 -12.7857 -12.7857 -12.4559 -12.4559 -12.4376 -12.4376 -12.3422 -12.3422 -12.2960 -12.2960 -5.2726 -5.2726 -4.1952 -4.1952 -2.0616 -2.0616 -2.0504 -2.0504 1.1652 1.1652 1.7145 1.7145 2.5581 2.5581 2.6334 2.6334 3.1001 3.1001 3.1768 3.1768 6.7984 6.7984 7.4381 7.4381 7.4984 7.4984 7.7237 7.7237 7.8821 7.8821 7.9184 7.9184 9.2144 9.2144 11.7185 11.7185 11.8141 11.8141 12.5252 12.5252 13.5227 13.5227 k = 0.4237 0.5869 0.1067 ( 3815 PWs) bands (ev): -31.4180 -31.4180 -31.4155 -31.4155 -12.8181 -12.8181 -12.7846 -12.7846 -12.4544 -12.4544 -12.4382 -12.4382 -12.3422 -12.3422 -12.2974 -12.2974 -5.2637 -5.2637 -4.2218 -4.2218 -2.0540 -2.0540 -2.0416 -2.0416 1.1009 1.1009 1.6527 1.6527 2.6083 2.6083 2.6587 2.6587 3.1750 3.1750 3.2756 3.2756 6.7175 6.7175 7.4197 7.4197 7.4579 7.4579 7.6732 7.6732 7.8432 7.8432 7.9314 7.9314 9.2891 9.2891 11.7094 11.7094 11.7570 11.7570 12.5820 12.5820 13.4578 13.4578 k = 0.4152 0.5951 0.1185 ( 3815 PWs) bands (ev): -31.4178 -31.4178 -31.4157 -31.4157 -12.8175 -12.8175 -12.7835 -12.7835 -12.4529 -12.4529 -12.4389 -12.4389 -12.3423 -12.3423 -12.2990 -12.2990 -5.2538 -5.2538 -4.2510 -4.2510 -2.0457 -2.0457 -2.0317 -2.0317 1.0365 1.0365 1.5910 1.5910 2.6641 2.6641 2.6868 2.6868 3.2509 3.2509 3.3781 3.3781 6.6376 6.6376 7.3370 7.3370 7.4799 7.4799 7.6185 7.6185 7.7979 7.7979 7.9358 7.9358 9.3729 9.3729 11.6000 11.6000 11.7979 11.7979 12.6440 12.6440 13.3883 13.3883 k = 0.4067 0.6034 0.1304 ( 3805 PWs) bands (ev): -31.4175 -31.4175 -31.4159 -31.4159 -12.8168 -12.8168 -12.7823 -12.7823 -12.4511 -12.4511 -12.4395 -12.4395 -12.3424 -12.3424 -12.3007 -12.3007 -5.2427 -5.2427 -4.2826 -4.2826 -2.0368 -2.0368 -2.0209 -2.0209 0.9727 0.9727 1.5297 1.5297 2.7177 2.7177 2.7251 2.7251 3.3273 3.3273 3.4837 3.4837 6.5591 6.5591 7.2509 7.2509 7.5041 7.5041 7.5600 7.5600 7.7467 7.7467 7.9327 7.9327 9.4649 9.4649 11.4870 11.4870 11.8405 11.8405 12.7108 12.7108 13.3154 13.3154 k = 0.3982 0.6117 0.1422 ( 3805 PWs) bands (ev): -31.4173 -31.4173 -31.4162 -31.4162 -12.8162 -12.8162 -12.7809 -12.7809 -12.4492 -12.4492 -12.4402 -12.4402 -12.3424 -12.3424 -12.3026 -12.3026 -5.2306 -5.2306 -4.3166 -4.3166 -2.0275 -2.0275 -2.0092 -2.0092 0.9102 0.9102 1.4690 1.4690 2.7515 2.7515 2.7910 2.7910 3.4035 3.4035 3.5918 3.5918 6.4820 6.4820 7.1620 7.1620 7.4981 7.4981 7.5305 7.5305 7.6901 7.6901 7.9230 7.9230 9.5641 9.5641 11.3712 11.3712 11.8841 11.8841 12.7818 12.7818 13.2404 13.2404 k = 0.3897 0.6200 0.1541 ( 3805 PWs) bands (ev): -31.4170 -31.4170 -31.4164 -31.4164 -12.8155 -12.8155 -12.7795 -12.7795 -12.4472 -12.4472 -12.4409 -12.4409 -12.3425 -12.3425 -12.3047 -12.3047 -5.2174 -5.2174 -4.3526 -4.3526 -2.0177 -2.0177 -1.9965 -1.9965 0.8494 0.8494 1.4092 1.4092 2.7880 2.7880 2.8616 2.8616 3.4792 3.4792 3.7020 3.7020 6.4064 6.4064 7.0708 7.0708 7.4332 7.4332 7.5589 7.5589 7.6288 7.6288 7.9078 7.9078 9.6695 9.6695 11.2535 11.2535 11.9276 11.9276 12.8567 12.8567 13.1647 13.1647 k = 0.3813 0.6282 0.1659 ( 3803 PWs) bands (ev): -31.4167 -31.4167 -31.4167 -31.4167 -12.8147 -12.8147 -12.7780 -12.7780 -12.4451 -12.4451 -12.4417 -12.4417 -12.3426 -12.3426 -12.3068 -12.3068 -5.2031 -5.2031 -4.3906 -4.3906 -2.0076 -2.0076 -1.9831 -1.9831 0.7908 0.7908 1.3504 1.3504 2.8271 2.8271 2.9363 2.9363 3.5539 3.5539 3.8139 3.8139 6.3326 6.3326 6.9777 6.9777 7.3659 7.3659 7.5633 7.5633 7.5893 7.5893 7.8880 7.8880 9.7801 9.7801 11.1344 11.1344 11.9695 11.9695 12.9349 12.9349 13.0901 13.0901 k = 0.3813 0.6282 0.1659 ( 3803 PWs) bands (ev): -31.4167 -31.4167 -31.4167 -31.4167 -12.8147 -12.8147 -12.7780 -12.7780 -12.4451 -12.4451 -12.4417 -12.4417 -12.3426 -12.3426 -12.3068 -12.3068 -5.2031 -5.2031 -4.3906 -4.3906 -2.0076 -2.0076 -1.9831 -1.9831 0.7908 0.7908 1.3504 1.3504 2.8271 2.8271 2.9363 2.9363 3.5539 3.5539 3.8139 3.8139 6.3326 6.3326 6.9777 6.9777 7.3659 7.3659 7.5633 7.5633 7.5893 7.5893 7.8880 7.8880 9.7801 9.7801 11.1344 11.1344 11.9695 11.9695 12.9349 12.9349 13.0901 13.0901 k = 0.3671 0.6235 0.1727 ( 3809 PWs) bands (ev): -31.4169 -31.4169 -31.4166 -31.4166 -12.8142 -12.8142 -12.7771 -12.7771 -12.4438 -12.4438 -12.4420 -12.4420 -12.3428 -12.3428 -12.3082 -12.3082 -5.1948 -5.1948 -4.4131 -4.4131 -2.0016 -2.0016 -1.9753 -1.9753 0.7583 0.7583 1.3168 1.3168 2.8523 2.8523 2.9813 2.9813 3.5962 3.5962 3.8786 3.8786 6.2897 6.2897 6.9236 6.9236 7.3265 7.3265 7.5240 7.5240 7.6071 7.6071 7.8758 7.8758 9.8425 9.8425 11.0667 11.0667 11.9966 11.9966 12.9798 12.9798 13.0504 13.0504 k = 0.3530 0.6188 0.1795 ( 3809 PWs) bands (ev): -31.4170 -31.4170 -31.4164 -31.4164 -12.8134 -12.8134 -12.7761 -12.7761 -12.4430 -12.4430 -12.4417 -12.4417 -12.3432 -12.3432 -12.3096 -12.3096 -5.1870 -5.1870 -4.4359 -4.4359 -1.9954 -1.9954 -1.9674 -1.9674 0.7267 0.7267 1.2830 1.2830 2.8813 2.8813 3.0280 3.0280 3.6383 3.6383 3.9435 3.9435 6.2445 6.2445 6.8690 6.8690 7.2868 7.2868 7.4835 7.4835 7.6244 7.6244 7.8641 7.8641 9.8999 9.8999 11.0011 11.0011 12.0310 12.0310 13.0095 13.0095 13.0290 13.0290 k = 0.3389 0.6140 0.1863 ( 3806 PWs) bands (ev): -31.4172 -31.4172 -31.4163 -31.4163 -12.8124 -12.8124 -12.7751 -12.7751 -12.4429 -12.4429 -12.4403 -12.4403 -12.3438 -12.3438 -12.3111 -12.3111 -5.1796 -5.1796 -4.4589 -4.4589 -1.9889 -1.9889 -1.9595 -1.9595 0.6961 0.6961 1.2489 1.2489 2.9140 2.9140 3.0764 3.0764 3.6801 3.6801 4.0085 4.0085 6.1972 6.1972 6.8141 6.8141 7.2469 7.2469 7.4418 7.4418 7.6410 7.6410 7.8533 7.8533 9.9521 9.9521 10.9377 10.9377 12.0713 12.0713 12.9833 12.9833 13.0676 13.0676 k = 0.3248 0.6093 0.1931 ( 3807 PWs) bands (ev): -31.4173 -31.4173 -31.4162 -31.4162 -12.8112 -12.8112 -12.7742 -12.7742 -12.4431 -12.4431 -12.4387 -12.4387 -12.3447 -12.3447 -12.3127 -12.3127 -5.1726 -5.1726 -4.4822 -4.4822 -1.9821 -1.9821 -1.9518 -1.9518 0.6667 0.6667 1.2146 1.2146 2.9502 2.9502 3.1262 3.1262 3.7215 3.7215 4.0735 4.0735 6.1475 6.1475 6.7588 6.7588 7.2070 7.2070 7.3991 7.3991 7.6570 7.6570 7.8433 7.8433 9.9991 9.9991 10.8768 10.8768 12.1159 12.1159 12.9610 12.9610 13.1076 13.1076 k = 0.3107 0.6045 0.1999 ( 3808 PWs) bands (ev): -31.4174 -31.4174 -31.4161 -31.4161 -12.8098 -12.8098 -12.7732 -12.7732 -12.4431 -12.4431 -12.4368 -12.4368 -12.3458 -12.3458 -12.3144 -12.3144 -5.1659 -5.1659 -4.5057 -4.5057 -1.9750 -1.9750 -1.9441 -1.9441 0.6385 0.6385 1.1801 1.1801 2.9899 2.9899 3.1772 3.1772 3.7624 3.7624 4.1385 4.1385 6.0957 6.0957 6.7032 6.7032 7.1672 7.1672 7.3556 7.3556 7.6722 7.6722 7.8343 7.8343 10.0409 10.0409 10.8185 10.8185 12.1626 12.1626 12.9473 12.9473 13.1460 13.1460 k = 0.2965 0.5998 0.2067 ( 3806 PWs) bands (ev): -31.4175 -31.4175 -31.4160 -31.4160 -12.8081 -12.8081 -12.7721 -12.7721 -12.4430 -12.4430 -12.4348 -12.4348 -12.3472 -12.3472 -12.3163 -12.3163 -5.1594 -5.1594 -4.5293 -4.5293 -1.9677 -1.9677 -1.9365 -1.9365 0.6117 0.6117 1.1454 1.1454 3.0330 3.0330 3.2292 3.2292 3.8027 3.8027 4.2033 4.2033 6.0417 6.0417 6.6475 6.6475 7.1275 7.1275 7.3115 7.3115 7.6867 7.6867 7.8263 7.8263 10.0779 10.0779 10.7631 10.7631 12.2089 12.2089 12.9442 12.9442 13.1826 13.1826 k = 0.2824 0.5950 0.2135 ( 3803 PWs) bands (ev): -31.4176 -31.4176 -31.4160 -31.4160 -12.8063 -12.8063 -12.7711 -12.7711 -12.4429 -12.4429 -12.4327 -12.4327 -12.3488 -12.3488 -12.3182 -12.3182 -5.1531 -5.1531 -4.5531 -4.5531 -1.9602 -1.9602 -1.9290 -1.9290 0.5864 0.5864 1.1106 1.1106 3.0792 3.0792 3.2820 3.2820 3.8424 3.8424 4.2680 4.2680 5.9855 5.9855 6.5916 6.5916 7.0882 7.0882 7.2668 7.2668 7.7003 7.7003 7.8193 7.8193 10.1104 10.1104 10.7106 10.7106 12.2519 12.2519 12.9537 12.9537 13.2177 13.2177 k = 0.2683 0.5903 0.2202 ( 3806 PWs) bands (ev): -31.4176 -31.4176 -31.4159 -31.4159 -12.8044 -12.8044 -12.7702 -12.7702 -12.4426 -12.4426 -12.4305 -12.4305 -12.3506 -12.3506 -12.3202 -12.3202 -5.1469 -5.1469 -4.5768 -4.5768 -1.9524 -1.9524 -1.9216 -1.9216 0.5627 0.5627 1.0758 1.0758 3.1284 3.1284 3.3353 3.3353 3.8814 3.8814 4.3324 4.3324 5.9272 5.9272 6.5357 6.5357 7.0493 7.0493 7.2219 7.2219 7.7131 7.7131 7.8133 7.8133 10.1387 10.1387 10.6611 10.6611 12.2892 12.2892 12.9772 12.9772 13.2515 13.2515 k = 0.2542 0.5855 0.2270 ( 3798 PWs) bands (ev): -31.4177 -31.4177 -31.4159 -31.4159 -12.8023 -12.8023 -12.7692 -12.7692 -12.4422 -12.4422 -12.4282 -12.4282 -12.3526 -12.3526 -12.3222 -12.3222 -5.1407 -5.1407 -4.6006 -4.6006 -1.9444 -1.9444 -1.9144 -1.9144 0.5408 0.5408 1.0410 1.0410 3.1804 3.1804 3.3891 3.3891 3.9194 3.9194 4.3964 4.3964 5.8669 5.8669 6.4799 6.4799 7.0109 7.0109 7.1768 7.1768 7.7250 7.7250 7.8082 7.8082 10.1634 10.1634 10.6148 10.6148 12.3194 12.3194 13.0151 13.0151 13.2844 13.2844 k = 0.2401 0.5808 0.2338 ( 3792 PWs) bands (ev): -31.4177 -31.4177 -31.4158 -31.4158 -12.8001 -12.8001 -12.7682 -12.7682 -12.4417 -12.4417 -12.4258 -12.4258 -12.3548 -12.3548 -12.3244 -12.3244 -5.1345 -5.1345 -4.6243 -4.6243 -1.9363 -1.9363 -1.9073 -1.9073 0.5206 0.5206 1.0062 1.0062 3.2351 3.2351 3.4429 3.4429 3.9565 3.9565 4.4600 4.4600 5.8047 5.8047 6.4241 6.4241 6.9732 6.9732 7.1317 7.1317 7.7360 7.7360 7.8041 7.8041 10.1848 10.1848 10.5716 10.5716 12.3426 12.3426 13.0661 13.0661 13.3171 13.3171 k = 0.2259 0.5761 0.2406 ( 3795 PWs) bands (ev): -31.4177 -31.4177 -31.4158 -31.4158 -12.7978 -12.7978 -12.7673 -12.7673 -12.4411 -12.4411 -12.4233 -12.4233 -12.3571 -12.3571 -12.3267 -12.3267 -5.1282 -5.1282 -4.6479 -4.6479 -1.9282 -1.9282 -1.9005 -1.9005 0.5023 0.5023 0.9716 0.9716 3.2922 3.2922 3.4966 3.4966 3.9925 3.9925 4.5232 4.5232 5.7408 5.7408 6.3684 6.3684 6.9364 6.9364 7.0870 7.0870 7.7462 7.7462 7.8008 7.8008 10.2032 10.2032 10.5316 10.5316 12.3599 12.3599 13.1275 13.1275 13.3500 13.3500 k = 0.2118 0.5713 0.2474 ( 3797 PWs) bands (ev): -31.4178 -31.4178 -31.4158 -31.4158 -12.7954 -12.7954 -12.7664 -12.7664 -12.4404 -12.4404 -12.4208 -12.4208 -12.3597 -12.3597 -12.3291 -12.3291 -5.1217 -5.1217 -4.6713 -4.6713 -1.9201 -1.9201 -1.8939 -1.8939 0.4861 0.4861 0.9371 0.9371 3.3516 3.3516 3.5500 3.5500 4.0272 4.0272 4.5858 4.5858 5.6752 5.6752 6.3128 6.3128 6.9006 6.9006 7.0427 7.0427 7.7554 7.7554 7.7983 7.7983 10.2189 10.2189 10.4948 10.4948 12.3733 12.3733 13.1958 13.1958 13.3840 13.3840 k = 0.1977 0.5666 0.2542 ( 3794 PWs) bands (ev): -31.4178 -31.4178 -31.4158 -31.4158 -12.7930 -12.7930 -12.7656 -12.7656 -12.4395 -12.4395 -12.4181 -12.4181 -12.3623 -12.3623 -12.3315 -12.3315 -5.1150 -5.1150 -4.6945 -4.6945 -1.9120 -1.9120 -1.8875 -1.8875 0.4719 0.4719 0.9029 0.9029 3.4130 3.4130 3.6027 3.6027 4.0606 4.0606 4.6477 4.6477 5.6083 5.6083 6.2574 6.2574 6.8659 6.8659 6.9991 6.9991 7.7638 7.7638 7.7965 7.7965 10.2321 10.2321 10.4612 10.4612 12.3844 12.3844 13.2665 13.2665 13.3991 13.3991 k = 0.1836 0.5618 0.2610 ( 3790 PWs) bands (ev): -31.4177 -31.4177 -31.4159 -31.4159 -12.7906 -12.7906 -12.7648 -12.7648 -12.4384 -12.4384 -12.4154 -12.4154 -12.3651 -12.3651 -12.3340 -12.3340 -5.1080 -5.1080 -4.7174 -4.7174 -1.9040 -1.9040 -1.8814 -1.8814 0.4598 0.4598 0.8691 0.8691 3.4761 3.4761 3.6546 3.6546 4.0924 4.0924 4.7088 4.7088 5.5401 5.5401 6.2022 6.2022 6.8326 6.8326 6.9565 6.9565 7.7712 7.7712 7.7954 7.7954 10.2432 10.2432 10.4307 10.4307 12.3949 12.3949 13.3340 13.3340 13.3701 13.3701 k = 0.1695 0.5571 0.2678 ( 3791 PWs) bands (ev): -31.4177 -31.4177 -31.4159 -31.4159 -12.7881 -12.7881 -12.7642 -12.7642 -12.4372 -12.4372 -12.4127 -12.4127 -12.3681 -12.3681 -12.3366 -12.3366 -5.1007 -5.1007 -4.7400 -4.7400 -1.8963 -1.8963 -1.8756 -1.8756 0.4500 0.4500 0.8358 0.8358 3.5408 3.5408 3.7054 3.7054 4.1228 4.1228 4.7688 4.7688 5.4711 5.4711 6.1472 6.1472 6.8007 6.8007 6.9151 6.9151 7.7779 7.7779 7.7948 7.7948 10.2522 10.2522 10.4032 10.4032 12.4060 12.4060 13.3274 13.3274 13.3928 13.3928 k = 0.1553 0.5523 0.2746 ( 3800 PWs) bands (ev): -31.4177 -31.4177 -31.4159 -31.4159 -12.7857 -12.7857 -12.7636 -12.7636 -12.4359 -12.4359 -12.4100 -12.4100 -12.3710 -12.3710 -12.3393 -12.3393 -5.0930 -5.0930 -4.7622 -4.7622 -1.8888 -1.8888 -1.8701 -1.8701 0.4424 0.4424 0.8030 0.8030 3.6066 3.6066 3.7546 3.7546 4.1515 4.1515 4.8273 4.8273 5.4019 5.4019 6.0924 6.0924 6.7706 6.7706 6.8752 6.8752 7.7837 7.7837 7.7947 7.7947 10.2593 10.2593 10.3788 10.3788 12.4185 12.4185 13.2783 13.2783 13.4400 13.4400 k = 0.1412 0.5476 0.2814 ( 3800 PWs) bands (ev): -31.4177 -31.4177 -31.4160 -31.4160 -12.7834 -12.7834 -12.7631 -12.7631 -12.4344 -12.4344 -12.4072 -12.4072 -12.3740 -12.3740 -12.3420 -12.3420 -5.0848 -5.0848 -4.7840 -4.7840 -1.8817 -1.8817 -1.8650 -1.8650 0.4371 0.4371 0.7709 0.7709 3.6731 3.6731 3.8022 3.8022 4.1786 4.1786 4.8835 4.8835 5.3333 5.3333 6.0378 6.0378 6.7423 6.7423 6.8371 6.8371 7.7888 7.7888 7.7951 7.7951 10.2648 10.2648 10.3573 10.3573 12.4332 12.4332 13.2263 13.2263 13.4787 13.4787 k = 0.1271 0.5428 0.2882 ( 3798 PWs) bands (ev): -31.4176 -31.4176 -31.4161 -31.4161 -12.7810 -12.7810 -12.7627 -12.7627 -12.4327 -12.4327 -12.4046 -12.4046 -12.3769 -12.3769 -12.3448 -12.3448 -5.0761 -5.0761 -4.8053 -4.8053 -1.8750 -1.8750 -1.8603 -1.8603 0.4342 0.4342 0.7395 0.7395 3.7397 3.7397 3.8477 3.8477 4.2043 4.2043 4.9352 4.9352 5.2677 5.2677 5.9834 5.9834 6.7162 6.7162 6.8011 6.8011 7.7930 7.7930 7.7957 7.7957 10.2688 10.2688 10.3386 10.3386 12.4503 12.4503 13.1733 13.1733 13.5125 13.5125 k = 0.1130 0.5381 0.2950 ( 3795 PWs) bands (ev): -31.4175 -31.4175 -31.4161 -31.4161 -12.7788 -12.7788 -12.7624 -12.7624 -12.4309 -12.4309 -12.4021 -12.4021 -12.3797 -12.3797 -12.3477 -12.3477 -5.0669 -5.0669 -4.8261 -4.8261 -1.8688 -1.8688 -1.8560 -1.8560 0.4336 0.4336 0.7091 0.7091 3.8057 3.8057 3.8909 3.8909 4.2289 4.2289 4.9763 4.9763 5.2114 5.2114 5.9291 5.9291 6.6924 6.6924 6.7674 6.7674 7.7963 7.7963 7.7970 7.7970 10.2714 10.2714 10.3226 10.3226 12.4702 12.4702 13.1200 13.1200 13.5431 13.5431 k = 0.0988 0.5334 0.3018 ( 3800 PWs) bands (ev): -31.4175 -31.4175 -31.4162 -31.4162 -12.7767 -12.7767 -12.7623 -12.7623 -12.4289 -12.4289 -12.4001 -12.4001 -12.3820 -12.3820 -12.3506 -12.3506 -5.0571 -5.0571 -4.8463 -4.8463 -1.8632 -1.8632 -1.8522 -1.8522 0.4353 0.4353 0.6796 0.6796 3.8700 3.8700 3.9313 3.9313 4.2532 4.2532 4.9901 4.9901 5.1813 5.1813 5.8750 5.8750 6.6712 6.6712 6.7363 6.7363 7.7977 7.7977 7.7997 7.7997 10.2729 10.2729 10.3091 10.3091 12.4931 12.4931 13.0671 13.0671 13.5714 13.5714 k = 0.0847 0.5286 0.3086 ( 3797 PWs) bands (ev): -31.4174 -31.4174 -31.4163 -31.4163 -12.7746 -12.7746 -12.7623 -12.7623 -12.4268 -12.4268 -12.3989 -12.3989 -12.3834 -12.3834 -12.3535 -12.3535 -5.0466 -5.0466 -4.8659 -4.8659 -1.8581 -1.8581 -1.8489 -1.8489 0.4394 0.4394 0.6512 0.6512 3.9309 3.9309 3.9687 3.9687 4.2785 4.2785 4.9604 4.9604 5.1937 5.1937 5.8209 5.8209 6.6528 6.6528 6.7082 6.7082 7.7990 7.7990 7.8020 7.8020 10.2734 10.2734 10.2980 10.2980 12.5188 12.5188 13.0150 13.0150 13.5975 13.5975 k = 0.0706 0.5239 0.3153 ( 3797 PWs) bands (ev): -31.4173 -31.4173 -31.4164 -31.4164 -12.7727 -12.7727 -12.7624 -12.7624 -12.4245 -12.4245 -12.3990 -12.3990 -12.3835 -12.3835 -12.3566 -12.3566 -5.0355 -5.0355 -4.8849 -4.8849 -1.8536 -1.8536 -1.8462 -1.8462 0.4459 0.4459 0.6241 0.6241 3.9860 3.9860 4.0025 4.0025 4.3067 4.3067 4.9033 4.9033 5.2328 5.2328 5.7669 5.7669 6.6374 6.6374 6.6832 6.6832 7.8003 7.8003 7.8037 7.8037 10.2733 10.2733 10.2891 10.2891 12.5474 12.5474 12.9638 12.9638 13.6210 13.6210 k = 0.0565 0.5191 0.3221 ( 3799 PWs) bands (ev): -31.4172 -31.4172 -31.4165 -31.4165 -12.7710 -12.7710 -12.7627 -12.7627 -12.4220 -12.4220 -12.4004 -12.4004 -12.3823 -12.3823 -12.3596 -12.3596 -5.0237 -5.0237 -4.9031 -4.9031 -1.8498 -1.8498 -1.8439 -1.8439 0.4546 0.4546 0.5983 0.5983 4.0323 4.0323 4.0326 4.0326 4.3404 4.3404 4.8362 4.8362 5.2816 5.2816 5.7128 5.7128 6.6252 6.6252 6.6616 6.6616 7.8016 7.8016 7.8049 7.8049 10.2726 10.2726 10.2823 10.2823 12.5788 12.5788 12.9138 12.9138 13.6417 13.6422 k = 0.0424 0.5144 0.3289 ( 3795 PWs) bands (ev): -31.4171 -31.4171 -31.4166 -31.4166 -12.7694 -12.7694 -12.7632 -12.7632 -12.4194 -12.4194 -12.4027 -12.4027 -12.3802 -12.3802 -12.3626 -12.3626 -5.0111 -5.0111 -4.9207 -4.9207 -1.8466 -1.8466 -1.8423 -1.8423 0.4655 0.4655 0.5740 0.5740 4.0579 4.0579 4.0674 4.0674 4.3821 4.3821 4.7656 4.7656 5.3339 5.3339 5.6588 5.6588 6.6165 6.6165 6.6437 6.6437 7.8028 7.8028 7.8057 7.8057 10.2718 10.2718 10.2772 10.2772 12.6129 12.6129 12.8653 12.8653 13.6580 13.6594 k = 0.0282 0.5096 0.3357 ( 3793 PWs) bands (ev): -31.4170 -31.4170 -31.4167 -31.4167 -12.7679 -12.7679 -12.7638 -12.7638 -12.4167 -12.4167 -12.4054 -12.4054 -12.3776 -12.3776 -12.3657 -12.3657 -4.9979 -4.9979 -4.9376 -4.9376 -1.8442 -1.8442 -1.8413 -1.8413 0.4787 0.4787 0.5513 0.5513 4.0784 4.0784 4.0898 4.0898 4.4327 4.4327 4.6943 4.6943 5.3875 5.3875 5.6046 5.6046 6.6115 6.6115 6.6295 6.6295 7.8039 7.8039 7.8060 7.8060 10.2710 10.2710 10.2738 10.2738 12.6495 12.6495 12.8184 12.8184 13.6703 13.6715 k = 0.0141 0.5049 0.3425 ( 3790 PWs) bands (ev): -31.4169 -31.4169 -31.4167 -31.4167 -12.7666 -12.7666 -12.7645 -12.7645 -12.4139 -12.4139 -12.4082 -12.4082 -12.3748 -12.3748 -12.3688 -12.3688 -4.9840 -4.9840 -4.9538 -4.9538 -1.8425 -1.8425 -1.8410 -1.8410 0.4939 0.4939 0.5304 0.5304 4.0930 4.0930 4.1003 4.1003 4.4912 4.4912 4.6238 4.6238 5.4417 5.4417 5.5503 5.5503 6.6101 6.6101 6.6191 6.6191 7.8048 7.8048 7.8059 7.8059 10.2706 10.2706 10.2717 10.2717 12.6886 12.6886 12.7731 12.7731 13.6805 13.6808 k = 0.0000 0.5001 0.3493 ( 3790 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7655 -12.7655 -12.7655 -12.7655 -12.4111 -12.4111 -12.4111 -12.4111 -12.3718 -12.3718 -12.3718 -12.3718 -4.9695 -4.9695 -4.9690 -4.9690 -1.8416 -1.8416 -1.8412 -1.8412 0.5111 0.5111 0.5112 0.5112 4.1007 4.1007 4.1009 4.1009 4.5554 4.5554 4.5556 4.5556 5.4959 5.4959 5.4962 5.4962 6.6126 6.6126 6.6127 6.6127 7.8054 7.8054 7.8056 7.8056 10.2706 10.2706 10.2708 10.2708 12.7298 12.7298 12.7298 12.7298 13.6827 13.6827 k = 0.0000 0.5001 0.3493 ( 3790 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7655 -12.7655 -12.7655 -12.7655 -12.4111 -12.4111 -12.4111 -12.4111 -12.3718 -12.3718 -12.3718 -12.3718 -4.9695 -4.9695 -4.9690 -4.9690 -1.8416 -1.8416 -1.8412 -1.8412 0.5111 0.5111 0.5112 0.5112 4.1007 4.1007 4.1009 4.1009 4.5554 4.5554 4.5556 4.5556 5.4959 5.4959 5.4962 5.4962 6.6126 6.6126 6.6127 6.6127 7.8054 7.8054 7.8056 7.8056 10.2706 10.2706 10.2708 10.2708 12.7298 12.7298 12.7298 12.7298 13.6827 13.6827 k = 0.0083 0.4920 0.3610 ( 3796 PWs) bands (ev): -31.4169 -31.4169 -31.4169 -31.4169 -12.7655 -12.7655 -12.7655 -12.7655 -12.4114 -12.4114 -12.4112 -12.4112 -12.3717 -12.3717 -12.3715 -12.3715 -4.9691 -4.9691 -4.9686 -4.9686 -1.8441 -1.8441 -1.8437 -1.8437 0.5147 0.5147 0.5148 0.5148 4.1012 4.1012 4.1014 4.1014 4.5555 4.5555 4.5558 4.5558 5.4937 5.4937 5.4940 5.4940 6.6130 6.6130 6.6130 6.6130 7.8021 7.8021 7.8023 7.8023 10.2750 10.2750 10.2751 10.2751 12.7287 12.7287 12.7287 12.7287 13.6821 13.6821 k = 0.0167 0.4839 0.3726 ( 3796 PWs) bands (ev): -31.4169 -31.4169 -31.4169 -31.4169 -12.7656 -12.7656 -12.7656 -12.7656 -12.4120 -12.4120 -12.4117 -12.4117 -12.3712 -12.3712 -12.3708 -12.3708 -4.9680 -4.9680 -4.9675 -4.9675 -1.8515 -1.8515 -1.8511 -1.8511 0.5254 0.5254 0.5256 0.5256 4.1028 4.1028 4.1030 4.1030 4.5559 4.5559 4.5562 4.5562 5.4872 5.4872 5.4875 5.4875 6.6139 6.6139 6.6140 6.6140 7.7921 7.7921 7.7923 7.7923 10.2879 10.2879 10.2881 10.2881 12.7253 12.7253 12.7254 12.7254 13.6804 13.6804 k = 0.0250 0.4758 0.3842 ( 3800 PWs) bands (ev): -31.4169 -31.4169 -31.4169 -31.4169 -12.7658 -12.7658 -12.7657 -12.7657 -12.4130 -12.4130 -12.4125 -12.4125 -12.3703 -12.3703 -12.3698 -12.3698 -4.9661 -4.9661 -4.9656 -4.9656 -1.8637 -1.8637 -1.8632 -1.8632 0.5430 0.5430 0.5433 0.5433 4.1053 4.1053 4.1055 4.1055 4.5566 4.5566 4.5569 4.5569 5.4765 5.4765 5.4769 5.4769 6.6154 6.6154 6.6155 6.6155 7.7757 7.7757 7.7760 7.7760 10.3091 10.3091 10.3093 10.3093 12.7195 12.7195 12.7196 12.7196 13.6777 13.6777 k = 0.0333 0.4676 0.3959 ( 3802 PWs) bands (ev): -31.4169 -31.4169 -31.4169 -31.4169 -12.7660 -12.7660 -12.7659 -12.7659 -12.4142 -12.4142 -12.4136 -12.4136 -12.3690 -12.3690 -12.3684 -12.3684 -4.9635 -4.9635 -4.9629 -4.9629 -1.8803 -1.8803 -1.8798 -1.8798 0.5673 0.5673 0.5677 0.5677 4.1087 4.1087 4.1090 4.1090 4.5576 4.5576 4.5579 4.5579 5.4620 5.4620 5.4623 5.4623 6.6172 6.6172 6.6173 6.6173 7.7534 7.7534 7.7537 7.7537 10.3381 10.3381 10.3383 10.3383 12.7111 12.7111 12.7112 12.7112 13.6743 13.6744 k = 0.0417 0.4595 0.4075 ( 3800 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7662 -12.7662 -12.7662 -12.7662 -12.4156 -12.4156 -12.4149 -12.4149 -12.3675 -12.3675 -12.3668 -12.3668 -4.9601 -4.9601 -4.9596 -4.9596 -1.9010 -1.9010 -1.9005 -1.9005 0.5978 0.5978 0.5982 0.5982 4.1128 4.1128 4.1131 4.1131 4.5591 4.5591 4.5593 4.5593 5.4438 5.4438 5.4442 5.4442 6.6192 6.6192 6.6192 6.6192 7.7257 7.7257 7.7260 7.7260 10.3744 10.3744 10.3746 10.3746 12.6998 12.6998 12.7000 12.7000 13.6712 13.6714 k = 0.0500 0.4514 0.4192 ( 3800 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7665 -12.7665 -12.7664 -12.7664 -12.4171 -12.4171 -12.4164 -12.4164 -12.3658 -12.3658 -12.3651 -12.3651 -4.9561 -4.9561 -4.9555 -4.9555 -1.9254 -1.9254 -1.9248 -1.9248 0.6341 0.6341 0.6346 0.6346 4.1174 4.1174 4.1178 4.1178 4.5609 4.5609 4.5612 4.5612 5.4224 5.4224 5.4228 5.4228 6.6210 6.6210 6.6211 6.6211 7.6932 7.6932 7.6935 7.6935 10.4173 10.4173 10.4176 10.4176 12.6856 12.6856 12.6858 12.6858 13.6692 13.6696 k = 0.0583 0.4432 0.4308 ( 3802 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7668 -12.7668 -12.7668 -12.7668 -12.4188 -12.4188 -12.4180 -12.4180 -12.3639 -12.3639 -12.3632 -12.3632 -4.9514 -4.9514 -4.9508 -4.9508 -1.9529 -1.9529 -1.9523 -1.9523 0.6756 0.6756 0.6762 0.6762 4.1223 4.1223 4.1227 4.1227 4.5634 4.5634 4.5637 4.5637 5.3982 5.3982 5.3986 5.3986 6.6226 6.6226 6.6227 6.6227 7.6566 7.6566 7.6569 7.6569 10.4661 10.4661 10.4664 10.4664 12.6683 12.6683 12.6686 12.6686 13.6699 13.6704 k = 0.0667 0.4351 0.4425 ( 3808 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7672 -12.7672 -12.7671 -12.7671 -12.4206 -12.4206 -12.4197 -12.4197 -12.3620 -12.3620 -12.3612 -12.3612 -4.9460 -4.9460 -4.9454 -4.9454 -1.9832 -1.9832 -1.9825 -1.9825 0.7219 0.7219 0.7225 0.7225 4.1271 4.1271 4.1276 4.1276 4.5666 4.5666 4.5669 4.5669 5.3717 5.3717 5.3721 5.3721 6.6235 6.6235 6.6236 6.6236 7.6166 7.6166 7.6169 7.6169 10.5201 10.5201 10.5203 10.5203 12.6481 12.6481 12.6484 12.6484 13.6745 13.6749 k = 0.0750 0.4270 0.4541 ( 3816 PWs) bands (ev): -31.4169 -31.4169 -31.4169 -31.4169 -12.7676 -12.7676 -12.7676 -12.7676 -12.4223 -12.4223 -12.4214 -12.4214 -12.3599 -12.3599 -12.3591 -12.3591 -4.9401 -4.9401 -4.9395 -4.9395 -2.0156 -2.0156 -2.0149 -2.0149 0.7723 0.7723 0.7730 0.7730 4.1315 4.1315 4.1320 4.1320 4.5706 4.5706 4.5709 4.5709 5.3433 5.3433 5.3437 5.3437 6.6238 6.6238 6.6238 6.6238 7.5736 7.5736 7.5739 7.5739 10.5785 10.5785 10.5787 10.5787 12.6253 12.6253 12.6255 12.6255 13.6833 13.6840 k = 0.0833 0.4188 0.4657 ( 3808 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7680 -12.7680 -12.7680 -12.7680 -12.4241 -12.4241 -12.4232 -12.4232 -12.3578 -12.3578 -12.3570 -12.3570 -4.9336 -4.9336 -4.9331 -4.9331 -2.0497 -2.0497 -2.0490 -2.0490 0.8263 0.8263 0.8270 0.8270 4.1351 4.1351 4.1357 4.1357 4.5757 4.5757 4.5760 4.5760 5.3135 5.3135 5.3140 5.3140 6.6230 6.6230 6.6231 6.6231 7.5285 7.5285 7.5288 7.5288 10.6406 10.6406 10.6409 10.6409 12.6003 12.6003 12.6005 12.6005 13.6983 13.6988 k = 0.0917 0.4107 0.4774 ( 3812 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7685 -12.7685 -12.7684 -12.7684 -12.4258 -12.4258 -12.4249 -12.4249 -12.3557 -12.3557 -12.3549 -12.3549 -4.9267 -4.9267 -4.9261 -4.9261 -2.0850 -2.0850 -2.0843 -2.0843 0.8833 0.8833 0.8840 0.8840 4.1374 4.1374 4.1381 4.1381 4.5821 4.5821 4.5824 4.5824 5.2830 5.2830 5.2835 5.2835 6.6212 6.6212 6.6213 6.6213 7.4816 7.4816 7.4820 7.4820 10.7058 10.7058 10.7061 10.7061 12.5736 12.5736 12.5738 12.5738 13.7179 13.7181 k = 0.1000 0.4026 0.4890 ( 3814 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7690 -12.7690 -12.7689 -12.7689 -12.4275 -12.4275 -12.4266 -12.4266 -12.3536 -12.3536 -12.3528 -12.3528 -4.9193 -4.9193 -4.9187 -4.9187 -2.1211 -2.1211 -2.1204 -2.1204 0.9428 0.9428 0.9436 0.9436 4.1379 4.1379 4.1387 4.1387 4.5898 4.5898 4.5901 4.5901 5.2521 5.2521 5.2526 5.2526 6.6182 6.6182 6.6183 6.6183 7.4336 7.4336 7.4339 7.4339 10.7734 10.7734 10.7737 10.7737 12.5459 12.5459 12.5462 12.5462 13.7441 13.7444 k = 0.1083 0.3944 0.5007 ( 3812 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7695 -12.7695 -12.7694 -12.7694 -12.4292 -12.4292 -12.4283 -12.4283 -12.3515 -12.3515 -12.3507 -12.3507 -4.9116 -4.9116 -4.9110 -4.9110 -2.1576 -2.1576 -2.1569 -2.1569 1.0042 1.0042 1.0050 1.0050 4.1364 4.1364 4.1372 4.1372 4.5991 4.5991 4.5994 4.5994 5.2213 5.2213 5.2219 5.2219 6.6141 6.6141 6.6141 6.6141 7.3849 7.3849 7.3852 7.3852 10.8430 10.8430 10.8432 10.8432 12.5178 12.5178 12.5181 12.5181 13.7748 13.7757 k = 0.1167 0.3863 0.5123 ( 3814 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7700 -12.7700 -12.7699 -12.7699 -12.4308 -12.4308 -12.4299 -12.4299 -12.3495 -12.3495 -12.3487 -12.3487 -4.9037 -4.9037 -4.9030 -4.9030 -2.1940 -2.1940 -2.1933 -2.1933 1.0670 1.0670 1.0678 1.0678 4.1323 4.1323 4.1332 4.1332 4.6101 4.6101 4.6104 4.6104 5.1912 5.1912 5.1918 5.1918 6.6087 6.6087 6.6088 6.6088 7.3359 7.3359 7.3362 7.3362 10.9138 10.9138 10.9141 10.9141 12.4900 12.4900 12.4903 12.4903 13.8108 13.8116 k = 0.1250 0.3782 0.5240 ( 3814 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7706 -12.7706 -12.7705 -12.7705 -12.4323 -12.4323 -12.4315 -12.4315 -12.3475 -12.3475 -12.3468 -12.3468 -4.8955 -4.8955 -4.8949 -4.8949 -2.2301 -2.2301 -2.2294 -2.2294 1.1307 1.1307 1.1315 1.1315 4.1255 4.1255 4.1264 4.1264 4.6227 4.6227 4.6231 4.6231 5.1623 5.1623 5.1628 5.1628 6.6023 6.6023 6.6024 6.6024 7.2870 7.2870 7.2873 7.2873 10.9855 10.9855 10.9858 10.9858 12.4630 12.4630 12.4632 12.4632 13.8509 13.8516 k = 0.1333 0.3700 0.5356 ( 3816 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7711 -12.7711 -12.7710 -12.7710 -12.4338 -12.4338 -12.4330 -12.4330 -12.3456 -12.3456 -12.3449 -12.3449 -4.8872 -4.8872 -4.8866 -4.8866 -2.2654 -2.2654 -2.2647 -2.2647 1.1947 1.1947 1.1956 1.1956 4.1156 4.1156 4.1166 4.1166 4.6370 4.6370 4.6374 4.6374 5.1348 5.1348 5.1354 5.1354 6.5949 6.5949 6.5950 6.5950 7.2386 7.2386 7.2389 7.2389 11.0574 11.0574 11.0577 11.0577 12.4371 12.4371 12.4373 12.4373 13.8935 13.8942 k = 0.1417 0.3619 0.5473 ( 3816 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7716 -12.7716 -12.7715 -12.7715 -12.4352 -12.4352 -12.4344 -12.4344 -12.3438 -12.3438 -12.3431 -12.3431 -4.8789 -4.8789 -4.8783 -4.8783 -2.2997 -2.2997 -2.2991 -2.2991 1.2585 1.2585 1.2594 1.2594 4.1028 4.1028 4.1039 4.1039 4.6527 4.6527 4.6531 4.6531 5.1092 5.1092 5.1098 5.1098 6.5867 6.5867 6.5867 6.5867 7.1911 7.1911 7.1913 7.1913 11.1292 11.1292 11.1294 11.1294 12.4128 12.4128 12.4130 12.4130 13.9369 13.9374 k = 0.1500 0.3538 0.5589 ( 3820 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7721 -12.7721 -12.7720 -12.7720 -12.4364 -12.4364 -12.4357 -12.4357 -12.3421 -12.3421 -12.3415 -12.3415 -4.8706 -4.8706 -4.8700 -4.8700 -2.3327 -2.3327 -2.3320 -2.3320 1.3216 1.3216 1.3224 1.3224 4.0872 4.0872 4.0882 4.0882 4.6696 4.6696 4.6700 4.6700 5.0857 5.0857 5.0863 5.0863 6.5777 6.5777 6.5778 6.5778 7.1447 7.1447 7.1450 7.1450 11.2002 11.2002 11.2004 11.2004 12.3902 12.3902 12.3904 12.3904 13.9761 13.9763 k = 0.1583 0.3456 0.5705 ( 3818 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7726 -12.7726 -12.7725 -12.7725 -12.4376 -12.4376 -12.4370 -12.4370 -12.3405 -12.3405 -12.3399 -12.3399 -4.8625 -4.8625 -4.8619 -4.8619 -2.3641 -2.3641 -2.3634 -2.3634 1.3833 1.3833 1.3841 1.3841 4.0690 4.0690 4.0701 4.0701 4.6873 4.6873 4.6876 4.6876 5.0647 5.0647 5.0652 5.0652 6.5683 6.5683 6.5684 6.5684 7.0999 7.0999 7.1001 7.1001 11.2699 11.2699 11.2702 11.2702 12.3696 12.3696 12.3698 12.3698 13.9979 13.9981 k = 0.1667 0.3375 0.5822 ( 3820 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7731 -12.7731 -12.7730 -12.7730 -12.4387 -12.4387 -12.4381 -12.4381 -12.3390 -12.3390 -12.3385 -12.3385 -4.8547 -4.8547 -4.8541 -4.8541 -2.3936 -2.3936 -2.3930 -2.3930 1.4430 1.4430 1.4438 1.4438 4.0488 4.0488 4.0498 4.0498 4.7053 4.7053 4.7057 4.7057 5.0462 5.0462 5.0467 5.0467 6.5587 6.5587 6.5587 6.5587 7.0570 7.0570 7.0573 7.0573 11.3378 11.3378 11.3381 11.3381 12.3511 12.3511 12.3513 12.3513 13.9906 13.9912 k = 0.1750 0.3294 0.5938 ( 3828 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7735 -12.7735 -12.7734 -12.7734 -12.4397 -12.4397 -12.4392 -12.4392 -12.3376 -12.3376 -12.3371 -12.3371 -4.8473 -4.8473 -4.8466 -4.8466 -2.4210 -2.4210 -2.4205 -2.4205 1.5002 1.5002 1.5009 1.5009 4.0270 4.0270 4.0279 4.0279 4.7233 4.7233 4.7236 4.7236 5.0303 5.0303 5.0309 5.0309 6.5490 6.5490 6.5490 6.5490 7.0165 7.0165 7.0167 7.0167 11.4033 11.4033 11.4035 11.4035 12.3347 12.3347 12.3348 12.3348 13.9601 13.9608 k = 0.1833 0.3212 0.6055 ( 3824 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7739 -12.7739 -12.7738 -12.7738 -12.4406 -12.4406 -12.4401 -12.4401 -12.3364 -12.3364 -12.3359 -12.3359 -4.8403 -4.8403 -4.8396 -4.8396 -2.4462 -2.4462 -2.4457 -2.4457 1.5541 1.5541 1.5548 1.5548 4.0043 4.0043 4.0052 4.0052 4.7405 4.7405 4.7409 4.7409 5.0171 5.0171 5.0177 5.0177 6.5394 6.5394 6.5395 6.5395 6.9786 6.9786 6.9789 6.9789 11.4656 11.4656 11.4658 11.4658 12.3204 12.3204 12.3205 12.3205 13.9178 13.9179 k = 0.1917 0.3131 0.6171 ( 3822 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7743 -12.7743 -12.7742 -12.7742 -12.4414 -12.4414 -12.4409 -12.4409 -12.3352 -12.3352 -12.3348 -12.3348 -4.8338 -4.8338 -4.8332 -4.8332 -2.4689 -2.4689 -2.4684 -2.4684 1.6040 1.6040 1.6047 1.6047 3.9816 3.9816 3.9824 3.9824 4.7567 4.7567 4.7571 4.7571 5.0066 5.0066 5.0071 5.0071 6.5303 6.5303 6.5304 6.5304 6.9440 6.9440 6.9442 6.9442 11.5239 11.5239 11.5241 11.5241 12.3081 12.3081 12.3083 12.3083 13.8698 13.8704 k = 0.2000 0.3050 0.6288 ( 3818 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7746 -12.7746 -12.7745 -12.7745 -12.4420 -12.4420 -12.4416 -12.4416 -12.3342 -12.3342 -12.3339 -12.3339 -4.8280 -4.8280 -4.8274 -4.8274 -2.4889 -2.4889 -2.4884 -2.4884 1.6494 1.6494 1.6500 1.6500 3.9595 3.9595 3.9603 3.9603 4.7712 4.7712 4.7716 4.7716 4.9986 4.9986 4.9991 4.9991 6.5219 6.5219 6.5219 6.5219 6.9128 6.9128 6.9131 6.9131 11.5774 11.5774 11.5776 11.5776 12.2978 12.2978 12.2980 12.2980 13.8220 13.8226 k = 0.2083 0.2968 0.6404 ( 3822 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7749 -12.7749 -12.7748 -12.7748 -12.4426 -12.4426 -12.4423 -12.4423 -12.3334 -12.3334 -12.3331 -12.3331 -4.8229 -4.8229 -4.8223 -4.8223 -2.5061 -2.5061 -2.5057 -2.5057 1.6893 1.6893 1.6898 1.6898 3.9391 3.9391 3.9397 3.9397 4.7837 4.7837 4.7841 4.7841 4.9929 4.9929 4.9934 4.9934 6.5143 6.5143 6.5143 6.5143 6.8857 6.8857 6.8859 6.8859 11.6251 11.6251 11.6253 11.6253 12.2894 12.2894 12.2895 12.2895 13.7774 13.7777 k = 0.2167 0.2887 0.6520 ( 3826 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7751 -12.7751 -12.7751 -12.7751 -12.4431 -12.4431 -12.4428 -12.4428 -12.3327 -12.3327 -12.3325 -12.3325 -4.8187 -4.8187 -4.8181 -4.8181 -2.5204 -2.5204 -2.5200 -2.5200 1.7232 1.7232 1.7237 1.7237 3.9209 3.9209 3.9215 3.9215 4.7939 4.7939 4.7943 4.7943 4.9892 4.9892 4.9897 4.9897 6.5077 6.5077 6.5077 6.5077 6.8629 6.8629 6.8631 6.8631 11.6661 11.6661 11.6662 11.6662 12.2828 12.2828 12.2829 12.2829 13.7374 13.7379 k = 0.2250 0.2806 0.6637 ( 3822 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7753 -12.7753 -12.7753 -12.7753 -12.4434 -12.4434 -12.4432 -12.4432 -12.3321 -12.3321 -12.3319 -12.3319 -4.8153 -4.8153 -4.8147 -4.8147 -2.5316 -2.5316 -2.5312 -2.5312 1.7503 1.7503 1.7507 1.7507 3.9060 3.9060 3.9064 3.9064 4.8017 4.8017 4.8021 4.8021 4.9870 4.9870 4.9875 4.9875 6.5024 6.5024 6.5024 6.5024 6.8448 6.8448 6.8450 6.8450 11.6992 11.6992 11.6993 11.6993 12.2778 12.2778 12.2779 12.2779 13.7048 13.7049 k = 0.2333 0.2725 0.6753 ( 3812 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7754 -12.7754 -12.7754 -12.7754 -12.4436 -12.4436 -12.4435 -12.4435 -12.3317 -12.3317 -12.3316 -12.3316 -4.8128 -4.8128 -4.8122 -4.8122 -2.5396 -2.5396 -2.5393 -2.5393 1.7702 1.7702 1.7705 1.7705 3.8948 3.8948 3.8950 3.8950 4.8072 4.8072 4.8076 4.8076 4.9859 4.9859 4.9864 4.9864 6.4984 6.4984 6.4985 6.4985 6.8316 6.8316 6.8318 6.8318 11.7237 11.7237 11.7238 11.7238 12.2744 12.2744 12.2744 12.2744 13.6801 13.6803 k = 0.2417 0.2643 0.6870 ( 3816 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7755 -12.7755 -12.7755 -12.7755 -12.4438 -12.4438 -12.4437 -12.4437 -12.3315 -12.3315 -12.3314 -12.3314 -4.8113 -4.8113 -4.8107 -4.8107 -2.5445 -2.5445 -2.5442 -2.5442 1.7823 1.7823 1.7826 1.7826 3.8879 3.8879 3.8880 3.8880 4.8104 4.8104 4.8108 4.8108 4.9855 4.9855 4.9860 4.9860 6.4960 6.4960 6.4960 6.4960 6.8236 6.8236 6.8238 6.8238 11.7387 11.7387 11.7388 11.7388 12.2723 12.2723 12.2724 12.2724 13.6649 13.6650 k = 0.2500 0.2562 0.6986 ( 3816 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7755 -12.7755 -12.7755 -12.7755 -12.4438 -12.4438 -12.4438 -12.4438 -12.3314 -12.3314 -12.3313 -12.3313 -4.8108 -4.8108 -4.8102 -4.8102 -2.5461 -2.5461 -2.5458 -2.5458 1.7864 1.7864 1.7866 1.7866 3.8855 3.8855 3.8856 3.8856 4.8115 4.8115 4.8119 4.8119 4.9854 4.9854 4.9859 4.9859 6.4952 6.4952 6.4952 6.4952 6.8210 6.8210 6.8211 6.8211 11.7438 11.7438 11.7438 11.7438 12.2717 12.2717 12.2717 12.2717 13.6598 13.6599 k = 0.2500 0.2562 0.6986 ( 3816 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7755 -12.7755 -12.7755 -12.7755 -12.4438 -12.4438 -12.4438 -12.4438 -12.3314 -12.3314 -12.3313 -12.3313 -4.8108 -4.8108 -4.8102 -4.8102 -2.5461 -2.5461 -2.5458 -2.5458 1.7864 1.7864 1.7866 1.7866 3.8855 3.8855 3.8856 3.8856 4.8115 4.8115 4.8119 4.8119 4.9854 4.9854 4.9859 4.9859 6.4952 6.4952 6.4952 6.4952 6.8210 6.8210 6.8211 6.8211 11.7438 11.7438 11.7438 11.7438 12.2717 12.2717 12.2717 12.2717 13.6598 13.6599 k = 0.2581 0.2645 0.6868 ( 3812 PWs) bands (ev): -31.4171 -31.4171 -31.4165 -31.4165 -12.7766 -12.7766 -12.7744 -12.7744 -12.4457 -12.4457 -12.4418 -12.4418 -12.3314 -12.3314 -12.3313 -12.3313 -4.8116 -4.8116 -4.8099 -4.8099 -2.5602 -2.5602 -2.5301 -2.5301 1.7832 1.7832 1.7856 1.7856 3.8846 3.8846 3.8890 3.8890 4.7841 4.7841 4.8383 4.8383 4.9758 4.9758 4.9956 4.9956 6.4916 6.4916 6.4990 6.4990 6.7699 6.7699 6.8764 6.8764 11.6926 11.6926 11.7911 11.7911 12.2140 12.2140 12.3309 12.3309 13.6583 13.6672 k = 0.2661 0.2727 0.6750 ( 3816 PWs) bands (ev): -31.4174 -31.4174 -31.4162 -31.4162 -12.7776 -12.7776 -12.7735 -12.7735 -12.4474 -12.4474 -12.4399 -12.4399 -12.3315 -12.3315 -12.3313 -12.3313 -4.8144 -4.8144 -4.8086 -4.8086 -2.5739 -2.5739 -2.5113 -2.5113 1.7725 1.7725 1.7839 1.7839 3.8873 3.8873 3.8935 3.8935 4.7531 4.7531 4.8663 4.8663 4.9724 4.9724 4.9995 4.9995 6.4930 6.4930 6.4983 6.4983 6.7255 6.7255 6.9334 6.9334 11.6437 11.6437 11.8278 11.8278 12.1594 12.1594 12.3899 12.3899 13.6614 13.6614 k = 0.2742 0.2810 0.6631 ( 3820 PWs) bands (ev): -31.4177 -31.4177 -31.4160 -31.4160 -12.7787 -12.7787 -12.7726 -12.7726 -12.4491 -12.4491 -12.4380 -12.4380 -12.3317 -12.3317 -12.3312 -12.3312 -4.8186 -4.8186 -4.8066 -4.8066 -2.5869 -2.5869 -2.4899 -2.4899 1.7539 1.7539 1.7823 1.7823 3.8802 3.8802 3.9119 3.9119 4.7186 4.7186 4.8955 4.8955 4.9742 4.9742 4.9985 4.9985 6.4929 6.4929 6.4999 6.4999 6.6881 6.6881 6.9915 6.9915 11.5973 11.5973 11.8539 11.8539 12.1080 12.1080 12.4488 12.4488 13.6679 13.6679 k = 0.2823 0.2892 0.6513 ( 3818 PWs) bands (ev): -31.4179 -31.4179 -31.4157 -31.4157 -12.7798 -12.7798 -12.7718 -12.7718 -12.4507 -12.4507 -12.4360 -12.4360 -12.3319 -12.3319 -12.3310 -12.3310 -4.8242 -4.8242 -4.8038 -4.8038 -2.5990 -2.5990 -2.4662 -2.4662 1.7281 1.7281 1.7807 1.7807 3.8679 3.8679 3.9393 3.9393 4.6802 4.6802 4.9260 4.9260 4.9742 4.9742 4.9997 4.9997 6.4833 6.4833 6.5124 6.5124 6.6576 6.6576 7.0503 7.0503 11.5534 11.5534 11.8696 11.8696 12.0600 12.0600 12.5073 12.5073 13.6763 13.6763 k = 0.2903 0.2975 0.6395 ( 3815 PWs) bands (ev): -31.4182 -31.4182 -31.4155 -31.4155 -12.7809 -12.7809 -12.7711 -12.7711 -12.4521 -12.4521 -12.4341 -12.4341 -12.3322 -12.3322 -12.3307 -12.3307 -4.8309 -4.8309 -4.8004 -4.8004 -2.6102 -2.6102 -2.4404 -2.4404 1.6956 1.6956 1.7793 1.7793 3.8507 3.8507 3.9749 3.9749 4.6382 4.6382 4.9567 4.9567 4.9626 4.9626 5.0136 5.0136 6.4701 6.4701 6.5302 6.5302 6.6334 6.6334 7.1092 7.1092 11.5123 11.5123 11.8757 11.8757 12.0154 12.0154 12.5657 12.5657 13.6853 13.6853 k = 0.2984 0.3058 0.6276 ( 3815 PWs) bands (ev): -31.4184 -31.4184 -31.4152 -31.4152 -12.7820 -12.7820 -12.7704 -12.7704 -12.4535 -12.4535 -12.4322 -12.4322 -12.3326 -12.3326 -12.3305 -12.3305 -4.8386 -4.8386 -4.7963 -4.7963 -2.6205 -2.6205 -2.4127 -2.4127 1.6575 1.6575 1.7779 1.7779 3.8289 3.8289 4.0178 4.0178 4.5928 4.5928 4.9394 4.9394 4.9909 4.9909 5.0368 5.0368 6.4543 6.4543 6.5531 6.5531 6.6146 6.6146 7.1679 7.1679 11.4739 11.4739 11.8728 11.8728 11.9741 11.9741 12.6236 12.6236 13.6932 13.6932 k = 0.3065 0.3140 0.6158 ( 3818 PWs) bands (ev): -31.4186 -31.4186 -31.4150 -31.4150 -12.7831 -12.7831 -12.7698 -12.7698 -12.4548 -12.4548 -12.4303 -12.4303 -12.3330 -12.3330 -12.3302 -12.3302 -4.8473 -4.8473 -4.7915 -4.7915 -2.6296 -2.6296 -2.3833 -2.3833 1.6144 1.6144 1.7767 1.7767 3.8031 3.8031 4.0668 4.0668 4.5443 4.5443 4.9111 4.9111 5.0249 5.0249 5.0665 5.0665 6.4365 6.4365 6.5805 6.5805 6.6004 6.6004 7.2260 7.2260 11.4384 11.4384 11.8622 11.8622 11.9361 11.9361 12.6812 12.6812 13.6981 13.6982 k = 0.3145 0.3223 0.6040 ( 3814 PWs) bands (ev): -31.4188 -31.4188 -31.4148 -31.4148 -12.7843 -12.7843 -12.7693 -12.7693 -12.4559 -12.4559 -12.4286 -12.4286 -12.3334 -12.3334 -12.3298 -12.3298 -4.8567 -4.8567 -4.7860 -4.7860 -2.6377 -2.6377 -2.3524 -2.3524 1.5672 1.5672 1.7758 1.7758 3.7739 3.7739 4.1204 4.1204 4.4938 4.4938 4.8771 4.8771 5.0600 5.0600 5.1018 5.1018 6.4167 6.4167 6.5907 6.5907 6.6121 6.6121 7.2830 7.2830 11.4058 11.4058 11.8448 11.8448 11.9015 11.9015 12.7383 12.7383 13.6970 13.6970 k = 0.3226 0.3306 0.5921 ( 3812 PWs) bands (ev): -31.4190 -31.4190 -31.4146 -31.4146 -12.7855 -12.7855 -12.7688 -12.7688 -12.4569 -12.4569 -12.4269 -12.4269 -12.3339 -12.3339 -12.3294 -12.3294 -4.8667 -4.8667 -4.7798 -4.7798 -2.6445 -2.6445 -2.3203 -2.3203 1.5167 1.5167 1.7750 1.7750 3.7417 3.7417 4.1757 4.1757 4.4437 4.4437 4.8383 4.8383 5.0961 5.0961 5.1418 5.1418 6.3945 6.3945 6.5858 6.5858 6.6472 6.6472 7.3385 7.3385 11.3763 11.3763 11.8216 11.8216 11.8700 11.8700 12.7946 12.7946 13.6864 13.6864 k = 0.3306 0.3388 0.5803 ( 3810 PWs) bands (ev): -31.4191 -31.4191 -31.4145 -31.4145 -12.7867 -12.7867 -12.7684 -12.7684 -12.4578 -12.4578 -12.4254 -12.4254 -12.3343 -12.3343 -12.3289 -12.3289 -4.8772 -4.8772 -4.7731 -4.7731 -2.6500 -2.6500 -2.2872 -2.2872 1.4637 1.4637 1.7746 1.7746 3.7072 3.7072 4.2245 4.2245 4.4020 4.4020 4.7952 4.7952 5.1332 5.1332 5.1860 5.1860 6.3691 6.3691 6.5861 6.5861 6.6853 6.6853 7.3921 7.3921 11.3497 11.3497 11.7938 11.7938 11.8417 11.8417 12.8498 12.8498 13.6633 13.6633 k = 0.3387 0.3471 0.5685 ( 3812 PWs) bands (ev): -31.4193 -31.4193 -31.4143 -31.4143 -12.7880 -12.7880 -12.7681 -12.7681 -12.4586 -12.4586 -12.4240 -12.4240 -12.3347 -12.3347 -12.3284 -12.3284 -4.8881 -4.8881 -4.7656 -4.7656 -2.6543 -2.6543 -2.2533 -2.2533 1.4088 1.4088 1.7744 1.7744 3.6708 3.6708 4.2400 4.2400 4.3952 4.3952 4.7483 4.7483 5.1711 5.1711 5.2339 5.2339 6.3398 6.3398 6.5920 6.5920 6.7259 6.7259 7.4435 7.4435 11.3263 11.3263 11.7619 11.7619 11.8166 11.8166 12.9032 12.9032 13.6273 13.6273 k = 0.3468 0.3554 0.5566 ( 3812 PWs) bands (ev): -31.4194 -31.4194 -31.4142 -31.4142 -12.7893 -12.7893 -12.7679 -12.7679 -12.4592 -12.4592 -12.4228 -12.4228 -12.3352 -12.3352 -12.3279 -12.3279 -4.8992 -4.8992 -4.7576 -4.7576 -2.6572 -2.6572 -2.2188 -2.2188 1.3527 1.3527 1.7745 1.7745 3.6329 3.6329 4.2060 4.2060 4.4393 4.4393 4.6981 4.6981 5.2099 5.2099 5.2850 5.2850 6.3065 6.3065 6.6036 6.6036 6.7685 6.7685 7.4922 7.4922 11.3061 11.3061 11.7269 11.7269 11.7945 11.7945 12.9537 12.9537 13.5805 13.5805 k = 0.3548 0.3636 0.5448 ( 3808 PWs) bands (ev): -31.4195 -31.4195 -31.4141 -31.4141 -12.7906 -12.7906 -12.7677 -12.7677 -12.4597 -12.4597 -12.4218 -12.4218 -12.3356 -12.3356 -12.3273 -12.3273 -4.9106 -4.9106 -4.7489 -4.7489 -2.6587 -2.6587 -2.1840 -2.1840 1.2958 1.2958 1.7749 1.7749 3.5938 3.5938 4.1507 4.1507 4.5060 4.5060 4.6451 4.6451 5.2494 5.2494 5.3389 5.3389 6.2690 6.2690 6.6205 6.6205 6.8127 6.8127 7.5379 7.5379 11.2891 11.2891 11.6891 11.6891 11.7756 11.7756 12.9994 12.9994 13.5272 13.5272 k = 0.3629 0.3719 0.5330 ( 3804 PWs) bands (ev): -31.4196 -31.4196 -31.4140 -31.4140 -12.7920 -12.7920 -12.7676 -12.7676 -12.4600 -12.4600 -12.4209 -12.4209 -12.3359 -12.3359 -12.3266 -12.3266 -4.9220 -4.9220 -4.7396 -4.7396 -2.6589 -2.6589 -2.1490 -2.1490 1.2388 1.2388 1.7757 1.7757 3.5540 3.5540 4.0886 4.0886 4.5809 4.5809 4.5897 4.5897 5.2895 5.2895 5.3953 5.3953 6.2277 6.2277 6.6425 6.6425 6.8582 6.8582 7.5802 7.5802 11.2752 11.2752 11.6491 11.6491 11.7598 11.7598 13.0372 13.0372 13.4727 13.4727 k = 0.3710 0.3801 0.5211 ( 3799 PWs) bands (ev): -31.4197 -31.4197 -31.4139 -31.4139 -12.7934 -12.7934 -12.7676 -12.7676 -12.4603 -12.4603 -12.4203 -12.4203 -12.3362 -12.3362 -12.3260 -12.3260 -4.9336 -4.9336 -4.7297 -4.7297 -2.6576 -2.6576 -2.1140 -2.1140 1.1820 1.1820 1.7767 1.7767 3.5135 3.5135 4.0235 4.0235 4.5322 4.5322 4.6598 4.6598 5.3303 5.3303 5.4539 5.4539 6.1827 6.1827 6.6690 6.6690 6.9044 6.9044 7.6190 7.6190 11.2645 11.2645 11.6072 11.6072 11.7473 11.7473 13.0620 13.0620 13.4228 13.4228 k = 0.3790 0.3884 0.5093 ( 3801 PWs) bands (ev): -31.4197 -31.4197 -31.4139 -31.4139 -12.7948 -12.7948 -12.7676 -12.7676 -12.4604 -12.4604 -12.4199 -12.4199 -12.3364 -12.3364 -12.3253 -12.3253 -4.9451 -4.9451 -4.7192 -4.7192 -2.6549 -2.6549 -2.0793 -2.0793 1.1258 1.1258 1.7782 1.7782 3.4728 3.4728 3.9572 3.9572 4.4730 4.4730 4.7410 4.7410 5.3716 5.3716 5.5145 5.5145 6.1346 6.1346 6.6997 6.6997 6.9513 6.9513 7.6539 7.6539 11.2570 11.2570 11.5636 11.5636 11.7381 11.7381 13.0671 13.0671 13.3821 13.3821 k = 0.3871 0.3967 0.4975 ( 3797 PWs) bands (ev): -31.4197 -31.4197 -31.4138 -31.4138 -12.7962 -12.7962 -12.7677 -12.7677 -12.4604 -12.4604 -12.4197 -12.4197 -12.3366 -12.3366 -12.3246 -12.3246 -4.9567 -4.9567 -4.7082 -4.7082 -2.6507 -2.6507 -2.0450 -2.0450 1.0708 1.0708 1.7799 1.7799 3.4319 3.4319 3.8905 3.8905 4.4123 4.4123 4.8234 4.8234 5.4134 5.4134 5.5767 5.5767 6.0838 6.0838 6.7342 6.7342 6.9984 6.9984 7.6846 7.6846 11.2526 11.2526 11.5183 11.5183 11.7326 11.7326 13.0484 13.0484 13.3486 13.3486 k = 0.3952 0.4049 0.4856 ( 3799 PWs) bands (ev): -31.4198 -31.4198 -31.4138 -31.4138 -12.7976 -12.7976 -12.7678 -12.7678 -12.4603 -12.4603 -12.4197 -12.4197 -12.3367 -12.3367 -12.3239 -12.3239 -4.9682 -4.9682 -4.6966 -4.6966 -2.6452 -2.6452 -2.0114 -2.0114 1.0171 1.0171 1.7820 1.7820 3.3910 3.3910 3.8238 3.8238 4.3504 4.3504 4.9061 4.9061 5.4555 5.4555 5.6405 5.6405 6.0310 6.0310 6.7719 6.7719 7.0455 7.0455 7.7112 7.7112 11.2512 11.2512 11.4713 11.4713 11.7310 11.7310 13.0094 13.0094 13.3085 13.3085 k = 0.4032 0.4132 0.4738 ( 3797 PWs) bands (ev): -31.4198 -31.4198 -31.4138 -31.4138 -12.7990 -12.7990 -12.7680 -12.7680 -12.4602 -12.4602 -12.4199 -12.4199 -12.3368 -12.3368 -12.3231 -12.3231 -4.9796 -4.9796 -4.6844 -4.6844 -2.6382 -2.6382 -1.9787 -1.9787 0.9653 0.9653 1.7843 1.7843 3.3503 3.3503 3.7577 3.7577 4.2875 4.2875 4.9881 4.9881 5.4979 5.4979 5.7055 5.7055 5.9772 5.9772 6.8127 6.8127 7.0925 7.0925 7.7334 7.7334 11.2528 11.2528 11.4225 11.4225 11.7336 11.7336 12.9580 12.9580 13.2477 13.2477 k = 0.4113 0.4215 0.4620 ( 3797 PWs) bands (ev): -31.4197 -31.4197 -31.4138 -31.4138 -12.8004 -12.8004 -12.7683 -12.7683 -12.4599 -12.4599 -12.4204 -12.4204 -12.3368 -12.3368 -12.3223 -12.3223 -4.9910 -4.9910 -4.6717 -4.6717 -2.6299 -2.6299 -1.9470 -1.9470 0.9155 0.9155 1.7870 1.7870 3.3099 3.3099 3.6925 3.6925 4.2240 4.2240 5.0676 5.0676 5.5405 5.5405 5.7717 5.7717 5.9239 5.9239 6.8562 6.8562 7.1391 7.1391 7.7512 7.7512 11.2571 11.2571 11.3718 11.3718 11.7407 11.7407 12.9006 12.9006 13.1667 13.1667 k = 0.4194 0.4297 0.4501 ( 3797 PWs) bands (ev): -31.4197 -31.4197 -31.4138 -31.4138 -12.8018 -12.8018 -12.7686 -12.7686 -12.4594 -12.4594 -12.4210 -12.4210 -12.3368 -12.3368 -12.3215 -12.3215 -5.0024 -5.0024 -4.6584 -4.6584 -2.6202 -2.6202 -1.9167 -1.9167 0.8682 0.8682 1.7899 1.7899 3.2699 3.2699 3.6285 3.6285 4.1600 4.1600 5.1424 5.1424 5.5832 5.5832 5.8388 5.8388 5.8734 5.8734 6.9019 6.9019 7.1852 7.1852 7.7646 7.7646 11.2642 11.2642 11.3187 11.3187 11.7527 11.7527 12.8411 12.8411 13.0742 13.0742 k = 0.4274 0.4380 0.4383 ( 3795 PWs) bands (ev): -31.4196 -31.4196 -31.4139 -31.4139 -12.8031 -12.8031 -12.7689 -12.7689 -12.4589 -12.4589 -12.4219 -12.4219 -12.3368 -12.3368 -12.3206 -12.3206 -5.0137 -5.0137 -4.6446 -4.6446 -2.6093 -2.6093 -1.8880 -1.8880 0.8237 0.8237 1.7930 1.7930 3.2305 3.2305 3.5660 3.5660 4.0956 4.0956 5.2084 5.2084 5.6260 5.6260 5.8299 5.8299 5.9068 5.9068 6.9498 6.9498 7.2306 7.2306 7.7737 7.7737 11.2629 11.2629 11.2738 11.2738 11.7698 11.7698 12.7817 12.7817 12.9773 12.9773 k = 0.4355 0.4463 0.4265 ( 3803 PWs) bands (ev): -31.4196 -31.4196 -31.4140 -31.4140 -12.8044 -12.8044 -12.7693 -12.7693 -12.4584 -12.4584 -12.4228 -12.4228 -12.3368 -12.3368 -12.3198 -12.3198 -5.0249 -5.0249 -4.6303 -4.6303 -2.5971 -2.5971 -1.8610 -1.8610 0.7822 0.7822 1.7964 1.7964 3.1916 3.1916 3.5052 3.5052 4.0312 4.0312 5.2588 5.2588 5.6685 5.6685 5.8001 5.8001 5.9753 5.9753 6.9994 6.9994 7.2753 7.2753 7.7786 7.7786 11.2038 11.2038 11.2860 11.2860 11.7923 11.7923 12.7240 12.7240 12.8803 12.8803 k = 0.4435 0.4545 0.4146 ( 3800 PWs) bands (ev): -31.4195 -31.4195 -31.4141 -31.4141 -12.8056 -12.8056 -12.7697 -12.7697 -12.4577 -12.4577 -12.4239 -12.4239 -12.3368 -12.3368 -12.3189 -12.3189 -5.0362 -5.0362 -4.6155 -4.6155 -2.5837 -2.5837 -1.8360 -1.8360 0.7441 0.7441 1.7999 1.7999 3.1534 3.1534 3.4464 3.4464 3.9669 3.9669 5.2849 5.2849 5.7106 5.7106 5.7932 5.7932 6.0444 6.0444 7.0505 7.0505 7.3190 7.3190 7.7794 7.7794 11.1411 11.1411 11.3006 11.3006 11.8204 11.8204 12.6687 12.6687 12.7859 12.7859 k = 0.4516 0.4628 0.4028 ( 3803 PWs) bands (ev): -31.4193 -31.4193 -31.4142 -31.4142 -12.8068 -12.8068 -12.7702 -12.7702 -12.4570 -12.4570 -12.4252 -12.4252 -12.3368 -12.3368 -12.3181 -12.3181 -5.0475 -5.0475 -4.6002 -4.6002 -2.5692 -2.5692 -1.8132 -1.8132 0.7096 0.7096 1.8036 1.8036 3.1160 3.1160 3.3897 3.3897 3.9029 3.9029 5.2809 5.2809 5.7520 5.7520 5.8150 5.8150 6.1139 6.1139 7.1029 7.1029 7.3618 7.3618 7.7764 7.7764 11.0741 11.0741 11.3175 11.3175 11.8542 11.8542 12.6164 12.6164 12.6959 12.6959 k = 0.4597 0.4711 0.3910 ( 3804 PWs) bands (ev): -31.4192 -31.4192 -31.4143 -31.4143 -12.8078 -12.8078 -12.7707 -12.7707 -12.4562 -12.4562 -12.4265 -12.4265 -12.3369 -12.3369 -12.3172 -12.3172 -5.0588 -5.0588 -4.5843 -4.5843 -2.5537 -2.5537 -1.7928 -1.7928 0.6791 0.6791 1.8073 1.8073 3.0794 3.0794 3.3354 3.3354 3.8393 3.8393 5.2492 5.2492 5.7933 5.7933 5.8625 5.8625 6.1837 6.1837 7.1563 7.1563 7.4036 7.4036 7.7698 7.7698 11.0023 11.0023 11.3369 11.3369 11.8937 11.8937 12.5674 12.5674 12.6117 12.6117 k = 0.4677 0.4793 0.3791 ( 3799 PWs) bands (ev): -31.4191 -31.4191 -31.4144 -31.4144 -12.8087 -12.8087 -12.7713 -12.7713 -12.4553 -12.4553 -12.4278 -12.4278 -12.3371 -12.3371 -12.3163 -12.3163 -5.0702 -5.0702 -4.5680 -4.5680 -2.5372 -2.5372 -1.7750 -1.7750 0.6527 0.6527 1.8111 1.8111 3.0436 3.0436 3.2836 3.2836 3.7764 3.7764 5.1977 5.1977 5.8350 5.8350 5.9274 5.9274 6.2535 6.2535 7.2104 7.2104 7.4442 7.4442 7.7599 7.7599 10.9255 10.9255 11.3586 11.3586 11.9389 11.9389 12.5217 12.5217 12.5349 12.5349 k = 0.4758 0.4876 0.3673 ( 3798 PWs) bands (ev): -31.4189 -31.4189 -31.4146 -31.4146 -12.8096 -12.8096 -12.7718 -12.7718 -12.4544 -12.4544 -12.4293 -12.4293 -12.3373 -12.3373 -12.3154 -12.3154 -5.0817 -5.0817 -4.5512 -4.5512 -2.5198 -2.5198 -1.7600 -1.7600 0.6308 0.6308 1.8149 1.8149 3.0088 3.0088 3.2344 3.2344 3.7143 3.7143 5.1334 5.1334 5.8765 5.8765 6.0031 6.0031 6.3234 6.3234 7.2652 7.2652 7.4836 7.4836 7.7470 7.7470 10.8433 10.8433 11.3826 11.3826 11.9895 11.9895 12.4637 12.4637 12.4818 12.4818 k = 0.4839 0.4958 0.3555 ( 3794 PWs) bands (ev): -31.4187 -31.4187 -31.4148 -31.4148 -12.8103 -12.8103 -12.7725 -12.7725 -12.4534 -12.4534 -12.4307 -12.4307 -12.3376 -12.3376 -12.3144 -12.3144 -5.0934 -5.0934 -4.5340 -4.5340 -2.5017 -2.5017 -1.7479 -1.7479 0.6135 0.6135 1.8187 1.8187 2.9750 2.9750 3.1882 3.1882 3.6531 3.6531 5.0609 5.0609 5.9175 5.9175 6.0853 6.0853 6.3931 6.3931 7.3202 7.3202 7.5218 7.5218 7.7315 7.7315 10.7556 10.7556 11.4091 11.4091 12.0454 12.0454 12.4022 12.4022 12.4442 12.4442 k = 0.4919 0.5041 0.3436 ( 3796 PWs) bands (ev): -31.4185 -31.4185 -31.4150 -31.4150 -12.8109 -12.8109 -12.7731 -12.7731 -12.4523 -12.4523 -12.4322 -12.4322 -12.3381 -12.3381 -12.3135 -12.3135 -5.1053 -5.1053 -4.5163 -4.5163 -2.4830 -2.4830 -1.7389 -1.7389 0.6009 0.6009 1.8224 1.8224 2.9422 2.9422 3.1448 3.1448 3.5931 3.5931 4.9830 4.9830 5.9579 5.9579 6.1713 6.1713 6.4625 6.4625 7.3754 7.3754 7.5587 7.5587 7.7137 7.7137 10.6627 10.6627 11.4378 11.4378 12.1063 12.1063 12.3489 12.3489 12.4108 12.4108 k = 0.5000 0.5124 0.3318 ( 3794 PWs) bands (ev): -31.4183 -31.4183 -31.4152 -31.4152 -12.8114 -12.8114 -12.7737 -12.7737 -12.4513 -12.4513 -12.4337 -12.4337 -12.3386 -12.3386 -12.3126 -12.3126 -5.1174 -5.1174 -4.4982 -4.4982 -2.4637 -2.4637 -1.7329 -1.7329 0.5932 0.5932 1.8259 1.8259 2.9104 2.9104 3.1046 3.1046 3.5344 3.5344 4.9012 4.9012 5.9978 5.9978 6.2596 6.2596 6.5316 6.5316 7.4304 7.4304 7.5941 7.5941 7.6939 7.6939 10.5649 10.5649 11.4689 11.4689 12.1719 12.1719 12.3038 12.3038 12.3814 12.3814 k = 0.5000 0.5124 0.3318 ( 3794 PWs) bands (ev): -31.4183 -31.4183 -31.4152 -31.4152 -12.8114 -12.8114 -12.7737 -12.7737 -12.4513 -12.4513 -12.4337 -12.4337 -12.3386 -12.3386 -12.3126 -12.3126 -5.1174 -5.1174 -4.4982 -4.4982 -2.4637 -2.4637 -1.7329 -1.7329 0.5932 0.5932 1.8259 1.8259 2.9104 2.9104 3.1046 3.1046 3.5344 3.5344 4.9012 4.9012 5.9978 5.9978 6.2596 6.2596 6.5316 6.5316 7.4304 7.4304 7.5941 7.5941 7.6939 7.6939 10.5649 10.5649 11.4689 11.4689 12.1719 12.1719 12.3038 12.3038 12.3814 12.3814 k = 0.5000 0.5124 0.3152 ( 3794 PWs) bands (ev): -31.4180 -31.4180 -31.4155 -31.4155 -12.8120 -12.8120 -12.7747 -12.7747 -12.4498 -12.4498 -12.4357 -12.4357 -12.3393 -12.3393 -12.3113 -12.3113 -5.1344 -5.1344 -4.4722 -4.4722 -2.4362 -2.4362 -1.7297 -1.7297 0.5910 0.5910 1.8308 1.8308 2.8675 2.8675 3.0515 3.0515 3.4544 3.4544 4.7819 4.7819 6.0544 6.0544 6.3850 6.3850 6.6277 6.6277 7.5054 7.5054 7.6415 7.6415 7.6655 7.6655 10.4260 10.4260 11.5150 11.5150 12.2468 12.2468 12.2685 12.2685 12.3454 12.3454 k = 0.5000 0.5124 0.2986 ( 3794 PWs) bands (ev): -31.4177 -31.4177 -31.4158 -31.4158 -12.8126 -12.8126 -12.7757 -12.7757 -12.4483 -12.4483 -12.4378 -12.4378 -12.3399 -12.3399 -12.3099 -12.3099 -5.1507 -5.1507 -4.4456 -4.4456 -2.4087 -2.4087 -1.7321 -1.7321 0.5991 0.5991 1.8358 1.8358 2.8260 2.8260 3.0007 3.0007 3.3773 3.3773 4.6590 4.6590 6.1133 6.1133 6.5106 6.5106 6.7228 6.7228 7.5760 7.5760 7.6376 7.6376 7.6864 7.6864 10.2901 10.2901 11.5625 11.5625 12.1909 12.1909 12.3144 12.3144 12.3675 12.3675 k = 0.5000 0.5124 0.2820 ( 3790 PWs) bands (ev): -31.4174 -31.4174 -31.4160 -31.4160 -12.8132 -12.8132 -12.7767 -12.7767 -12.4469 -12.4469 -12.4399 -12.4399 -12.3404 -12.3404 -12.3085 -12.3085 -5.1665 -5.1665 -4.4187 -4.4187 -2.3812 -2.3812 -1.7401 -1.7401 0.6172 0.6172 1.8409 1.8409 2.7862 2.7862 2.9522 2.9522 3.3032 3.3032 4.5334 4.5334 6.1744 6.1744 6.6351 6.6351 6.8166 6.8166 7.6107 7.6107 7.6417 7.6417 7.7286 7.7286 10.1577 10.1577 11.6114 11.6114 12.1360 12.1360 12.2884 12.2884 12.4686 12.4686 k = 0.5000 0.5124 0.2654 ( 3798 PWs) bands (ev): -31.4171 -31.4171 -31.4163 -31.4163 -12.8138 -12.8138 -12.7778 -12.7778 -12.4456 -12.4456 -12.4420 -12.4420 -12.3409 -12.3409 -12.3070 -12.3070 -5.1816 -5.1816 -4.3916 -4.3916 -2.3539 -2.3539 -1.7532 -1.7532 0.6450 0.6450 1.8463 1.8463 2.7478 2.7478 2.9061 2.9061 3.2324 3.2324 4.4059 4.4059 6.2378 6.2378 6.7577 6.7577 6.9088 6.9088 7.5847 7.5847 7.7019 7.7019 7.7682 7.7682 10.0290 10.0290 11.6615 11.6615 12.0822 12.0822 12.2673 12.2673 12.5716 12.5716 k = 0.5000 0.5124 0.2489 ( 3804 PWs) bands (ev): -31.4168 -31.4168 -31.4166 -31.4166 -12.8145 -12.8145 -12.7789 -12.7789 -12.4447 -12.4447 -12.4437 -12.4437 -12.3413 -12.3413 -12.3056 -12.3056 -5.1960 -5.1960 -4.3643 -4.3643 -2.3271 -2.3271 -1.7710 -1.7710 0.6819 0.6819 1.8518 1.8518 2.7108 2.7108 2.8626 2.8626 3.1653 3.1653 4.2772 4.2772 6.3033 6.3033 6.8777 6.8777 6.9991 6.9991 7.5597 7.5597 7.7562 7.7562 7.8049 7.8049 9.9046 9.9046 11.7125 11.7125 12.0297 12.0297 12.2511 12.2511 12.6760 12.6760 k = 0.5000 0.5124 0.2323 ( 3800 PWs) bands (ev): -31.4169 -31.4169 -31.4166 -31.4166 -12.8151 -12.8151 -12.7800 -12.7800 -12.4461 -12.4461 -12.4430 -12.4430 -12.3415 -12.3415 -12.3040 -12.3040 -5.2097 -5.2097 -4.3370 -4.3370 -2.3008 -2.3008 -1.7926 -1.7926 0.7273 0.7273 1.8576 1.8576 2.6752 2.6752 2.8215 2.8215 3.1021 3.1021 4.1477 4.1477 6.3708 6.3708 6.9944 6.9944 7.0873 7.0873 7.5358 7.5358 7.8037 7.8037 7.8388 7.8388 9.7851 9.7851 11.7644 11.7644 11.9787 11.9787 12.2394 12.2394 12.7814 12.7814 k = 0.5000 0.5124 0.2157 ( 3806 PWs) bands (ev): -31.4171 -31.4171 -31.4163 -31.4163 -12.8157 -12.8157 -12.7811 -12.7811 -12.4481 -12.4481 -12.4419 -12.4419 -12.3417 -12.3417 -12.3025 -12.3025 -5.2225 -5.2225 -4.3100 -4.3100 -2.2753 -2.2753 -1.8174 -1.8174 0.7801 0.7801 1.8638 1.8638 2.6411 2.6411 2.7831 2.7831 3.0430 3.0430 4.0178 4.0178 6.4404 6.4404 7.1071 7.1071 7.1730 7.1730 7.5132 7.5132 7.8440 7.8440 7.8696 7.8696 9.6709 9.6709 11.8167 11.8167 11.9293 11.9293 12.2321 12.2321 12.8872 12.8872 k = 0.5000 0.5124 0.1991 ( 3814 PWs) bands (ev): -31.4174 -31.4174 -31.4161 -31.4161 -12.8164 -12.8164 -12.7822 -12.7822 -12.4499 -12.4499 -12.4409 -12.4409 -12.3419 -12.3419 -12.3010 -12.3010 -5.2345 -5.2345 -4.2835 -4.2835 -2.2506 -2.2506 -1.8446 -1.8446 0.8396 0.8396 1.8704 1.8704 2.6083 2.6083 2.7473 2.7473 2.9883 2.9883 3.8881 3.8881 6.5119 6.5119 7.2152 7.2152 7.2560 7.2560 7.4919 7.4919 7.8761 7.8761 7.8974 7.8974 9.5630 9.5630 11.8692 11.8692 11.8817 11.8817 12.2287 12.2287 12.9928 12.9928 k = 0.5000 0.5124 0.1825 ( 3810 PWs) bands (ev): -31.4176 -31.4176 -31.4158 -31.4158 -12.8170 -12.8170 -12.7832 -12.7832 -12.4516 -12.4516 -12.4400 -12.4400 -12.3420 -12.3420 -12.2996 -12.2996 -5.2457 -5.2457 -4.2575 -4.2575 -2.2271 -2.2271 -1.8732 -1.8732 0.9046 0.9046 1.8777 1.8777 2.5769 2.5769 2.7142 2.7142 2.9381 2.9381 3.7589 3.7589 6.5853 6.5853 7.3181 7.3181 7.3358 7.3358 7.4721 7.4721 7.8995 7.8995 7.9218 7.9218 9.4620 9.4620 11.8362 11.8362 11.9214 11.9214 12.2289 12.2289 13.0975 13.0975 k = 0.5000 0.5124 0.1659 ( 3816 PWs) bands (ev): -31.4178 -31.4178 -31.4156 -31.4156 -12.8176 -12.8176 -12.7841 -12.7841 -12.4532 -12.4532 -12.4392 -12.4392 -12.3420 -12.3420 -12.2982 -12.2982 -5.2559 -5.2559 -4.2325 -4.2325 -2.2048 -2.2048 -1.9026 -1.9026 0.9740 0.9740 1.8860 1.8860 2.5470 2.5470 2.6838 2.6838 2.8927 2.8927 3.6307 3.6307 6.6603 6.6603 7.4114 7.4114 7.4160 7.4160 7.4537 7.4537 7.9132 7.9132 7.9429 7.9429 9.3690 9.3690 11.7930 11.7930 11.9730 11.9730 12.2321 12.2321 13.2004 13.2004 k = 0.5000 0.5124 0.1493 ( 3824 PWs) bands (ev): -31.4180 -31.4180 -31.4154 -31.4154 -12.8182 -12.8182 -12.7851 -12.7851 -12.4547 -12.4547 -12.4385 -12.4385 -12.3421 -12.3421 -12.2969 -12.2969 -5.2653 -5.2653 -4.2087 -4.2087 -2.1841 -2.1841 -1.9319 -1.9319 1.0465 1.0465 1.8955 1.8955 2.5188 2.5188 2.6563 2.6563 2.8521 2.8521 3.5041 3.5041 6.7368 6.7368 7.4368 7.4368 7.4845 7.4845 7.5062 7.5062 7.9167 7.9167 7.9604 7.9604 9.2848 9.2848 11.7523 11.7523 12.0234 12.0234 12.2378 12.2378 13.3005 13.3005 k = 0.5000 0.5124 0.1327 ( 3818 PWs) bands (ev): -31.4182 -31.4182 -31.4153 -31.4153 -12.8186 -12.8186 -12.7860 -12.7860 -12.4561 -12.4561 -12.4378 -12.4378 -12.3421 -12.3421 -12.2956 -12.2956 -5.2737 -5.2737 -4.1863 -4.1863 -2.1649 -2.1649 -1.9603 -1.9603 1.1206 1.1206 1.9068 1.9068 2.4924 2.4924 2.6315 2.6315 2.8162 2.8162 3.3797 3.3797 6.8146 6.8146 7.4216 7.4216 7.5530 7.5530 7.5897 7.5897 7.9092 7.9092 7.9741 7.9741 9.2102 9.2102 11.7146 11.7146 12.0721 12.0721 12.2453 12.2453 13.3963 13.3963 k = 0.5000 0.5124 0.1161 ( 3818 PWs) bands (ev): -31.4183 -31.4183 -31.4151 -31.4151 -12.8191 -12.8191 -12.7868 -12.7868 -12.4573 -12.4573 -12.4372 -12.4372 -12.3421 -12.3421 -12.2944 -12.2944 -5.2812 -5.2812 -4.1656 -4.1656 -2.1476 -2.1476 -1.9872 -1.9872 1.1946 1.1946 1.9205 1.9205 2.4681 2.4681 2.6096 2.6096 2.7851 2.7851 3.2584 3.2584 6.8934 6.8934 7.4081 7.4081 7.6172 7.6172 7.6654 7.6654 7.8906 7.8906 7.9839 7.9839 9.1460 9.1460 11.6801 11.6801 12.1182 12.1182 12.2541 12.2541 13.4863 13.4863 k = 0.5000 0.5124 0.0995 ( 3814 PWs) bands (ev): -31.4185 -31.4185 -31.4150 -31.4150 -12.8195 -12.8195 -12.7874 -12.7874 -12.4583 -12.4583 -12.4367 -12.4367 -12.3420 -12.3420 -12.2934 -12.2934 -5.2877 -5.2877 -4.1469 -4.1469 -2.1322 -2.1322 -2.0119 -2.0119 1.2663 1.2663 1.9373 1.9373 2.4462 2.4462 2.5905 2.5905 2.7585 2.7585 3.1411 3.1411 6.9728 6.9728 7.3963 7.3963 7.6766 7.6766 7.7326 7.7326 7.8611 7.8611 7.9896 7.9896 9.0921 9.0921 11.6492 11.6492 12.1610 12.1610 12.2635 12.2635 13.5683 13.5683 k = 0.5000 0.5124 0.0830 ( 3814 PWs) bands (ev): -31.4186 -31.4186 -31.4148 -31.4148 -12.8199 -12.8199 -12.7881 -12.7881 -12.4592 -12.4592 -12.4362 -12.4362 -12.3420 -12.3420 -12.2925 -12.2925 -5.2932 -5.2932 -4.1305 -4.1305 -2.1190 -2.1190 -2.0339 -2.0339 1.3332 1.3332 1.9582 1.9582 2.4270 2.4270 2.5744 2.5744 2.7365 2.7365 3.0295 3.0295 7.0524 7.0524 7.3862 7.3862 7.7313 7.7313 7.7908 7.7908 7.8216 7.8216 7.9910 7.9910 9.0486 9.0486 11.6222 11.6222 12.1996 12.1996 12.2728 12.2728 13.6390 13.6390 k = 0.5000 0.5124 0.0664 ( 3814 PWs) bands (ev): -31.4187 -31.4187 -31.4147 -31.4147 -12.8202 -12.8202 -12.7886 -12.7886 -12.4600 -12.4600 -12.4359 -12.4359 -12.3420 -12.3420 -12.2917 -12.2917 -5.2978 -5.2978 -4.1167 -4.1167 -2.1081 -2.1081 -2.0525 -2.0525 1.3924 1.3924 1.9834 1.9834 2.4108 2.4108 2.5611 2.5611 2.7187 2.7187 2.9257 2.9257 7.1312 7.1312 7.3779 7.3779 7.7737 7.7737 7.7808 7.7808 7.8394 7.8394 7.9878 7.9878 9.0148 9.0148 11.5996 11.5996 12.2330 12.2330 12.2815 12.2815 13.6903 13.6904 k = 0.5000 0.5124 0.0498 ( 3814 PWs) bands (ev): -31.4188 -31.4188 -31.4147 -31.4147 -12.8204 -12.8204 -12.7890 -12.7890 -12.4605 -12.4605 -12.4356 -12.4356 -12.3420 -12.3420 -12.2911 -12.2911 -5.3013 -5.3013 -4.1056 -4.1056 -2.0997 -2.0997 -2.0672 -2.0672 1.4412 1.4412 2.0121 2.0121 2.3979 2.3979 2.5508 2.5508 2.7050 2.7050 2.8333 2.8333 7.2079 7.2079 7.3714 7.3714 7.7196 7.7196 7.8251 7.8251 7.8777 7.8777 7.9799 7.9799 8.9897 8.9897 11.5816 11.5816 12.2600 12.2600 12.2891 12.2891 13.6996 13.7035 k = 0.5000 0.5124 0.0332 ( 3814 PWs) bands (ev): -31.4188 -31.4188 -31.4146 -31.4146 -12.8206 -12.8206 -12.7893 -12.7893 -12.4610 -12.4610 -12.4355 -12.4355 -12.3419 -12.3419 -12.2907 -12.2907 -5.3038 -5.3038 -4.0976 -4.0976 -2.0942 -2.0942 -2.0774 -2.0774 1.4772 1.4772 2.0413 2.0413 2.3885 2.3885 2.5434 2.5434 2.6954 2.6954 2.7576 2.7576 7.2792 7.2792 7.3668 7.3668 7.6635 7.6635 7.8641 7.8641 7.9055 7.9055 7.9672 7.9672 8.9726 8.9726 11.5685 11.5685 12.2794 12.2794 12.2956 12.2956 13.6937 13.6992 k = 0.5000 0.5124 0.0166 ( 3822 PWs) bands (ev): -31.4188 -31.4188 -31.4146 -31.4146 -12.8207 -12.8207 -12.7895 -12.7895 -12.4612 -12.4612 -12.4353 -12.4353 -12.3420 -12.3420 -12.2904 -12.2904 -5.3053 -5.3053 -4.0927 -4.0927 -2.0924 -2.0924 -2.0822 -2.0822 1.4991 1.4991 2.0643 2.0643 2.3827 2.3827 2.5390 2.5390 2.6896 2.6896 2.7063 2.7063 7.3375 7.3375 7.3640 7.3640 7.6140 7.6140 7.8977 7.8977 7.9222 7.9222 7.9495 7.9495 8.9627 8.9627 11.5606 11.5606 12.2899 12.2899 12.3011 12.3011 13.6886 13.6909 k = 0.5000 0.5124 0.0000 ( 3828 PWs) bands (ev): -31.4189 -31.4189 -31.4146 -31.4146 -12.8208 -12.8208 -12.7896 -12.7896 -12.4614 -12.4614 -12.4353 -12.4353 -12.3420 -12.3420 -12.2903 -12.2903 -5.3058 -5.3058 -4.0911 -4.0911 -2.0927 -2.0927 -2.0829 -2.0829 1.5065 1.5065 2.0733 2.0733 2.3808 2.3808 2.5375 2.5375 2.6873 2.6873 2.6882 2.6882 7.3625 7.3625 7.3634 7.3634 7.5916 7.5916 7.9246 7.9246 7.9249 7.9249 7.9308 7.9308 8.9595 8.9595 11.5579 11.5579 12.2928 12.2928 12.3037 12.3037 13.6855 13.6862 k = 0.0000 0.0000 0.6986 ( 3816 PWs) bands (ev): -31.4227 -31.4227 -31.4108 -31.4108 -12.8078 -12.8078 -12.7645 -12.7645 -12.4758 -12.4758 -12.4131 -12.4131 -12.3238 -12.3238 -12.3123 -12.3123 -4.8274 -4.8274 -4.7953 -4.7953 -2.8266 -2.8266 -2.2465 -2.2465 1.7538 1.7538 1.8260 1.8260 3.7913 3.7913 4.0204 4.0204 4.3355 4.3355 4.7405 4.7405 5.2543 5.2543 5.3760 5.3760 5.7903 5.7903 6.3446 6.3446 6.6701 6.6701 8.1568 8.1568 10.9674 10.9674 11.0358 11.0358 13.5525 13.5525 13.5532 13.5532 13.6107 13.6108 k = 0.0114 0.0116 0.6986 ( 3804 PWs) bands (ev): -31.4227 -31.4227 -31.4109 -31.4109 -12.8077 -12.8077 -12.7645 -12.7645 -12.4757 -12.4757 -12.4131 -12.4131 -12.3238 -12.3238 -12.3124 -12.3124 -4.8274 -4.8274 -4.7953 -4.7953 -2.8259 -2.8259 -2.2473 -2.2473 1.7539 1.7539 1.8259 1.8259 3.7915 3.7915 4.0200 4.0200 4.3366 4.3366 4.7411 4.7411 5.2536 5.2536 5.3744 5.3744 5.7927 5.7927 6.3450 6.3450 6.6697 6.6697 8.1523 8.1523 10.9659 10.9659 11.0427 11.0427 13.5319 13.5319 13.5536 13.5536 13.6127 13.6127 k = 0.0227 0.0233 0.6986 ( 3808 PWs) bands (ev): -31.4227 -31.4227 -31.4109 -31.4109 -12.8074 -12.8074 -12.7645 -12.7645 -12.4756 -12.4756 -12.4133 -12.4133 -12.3239 -12.3239 -12.3127 -12.3127 -4.8272 -4.8272 -4.7954 -4.7954 -2.8238 -2.8238 -2.2497 -2.2497 1.7541 1.7541 1.8255 1.8255 3.7920 3.7920 4.0189 4.0189 4.3400 4.3400 4.7429 4.7429 5.2514 5.2514 5.3697 5.3697 5.8000 5.8000 6.3462 6.3462 6.6686 6.6686 8.1390 8.1390 10.9634 10.9634 11.0609 11.0609 13.4787 13.4787 13.5561 13.5561 13.6183 13.6183 k = 0.0341 0.0349 0.6986 ( 3804 PWs) bands (ev): -31.4226 -31.4226 -31.4110 -31.4110 -12.8068 -12.8068 -12.7645 -12.7645 -12.4753 -12.4753 -12.4135 -12.4135 -12.3241 -12.3241 -12.3132 -12.3132 -4.8270 -4.8270 -4.7956 -4.7956 -2.8203 -2.8203 -2.2536 -2.2536 1.7545 1.7545 1.8250 1.8250 3.7928 3.7928 4.0170 4.0170 4.3457 4.3457 4.7459 4.7459 5.2479 5.2479 5.3617 5.3617 5.8120 5.8120 6.3482 6.3482 6.6666 6.6666 8.1171 8.1171 10.9630 10.9630 11.0872 11.0872 13.4079 13.4079 13.5602 13.5602 13.6277 13.6277 k = 0.0455 0.0466 0.6986 ( 3820 PWs) bands (ev): -31.4225 -31.4225 -31.4111 -31.4111 -12.8061 -12.8061 -12.7646 -12.7646 -12.4749 -12.4749 -12.4139 -12.4139 -12.3243 -12.3243 -12.3140 -12.3140 -4.8267 -4.8267 -4.7958 -4.7958 -2.8155 -2.8155 -2.2591 -2.2591 1.7550 1.7550 1.8243 1.8243 3.7940 3.7940 4.0143 4.0143 4.3536 4.3536 4.7500 4.7500 5.2429 5.2429 5.3508 5.3508 5.8288 5.8288 6.3510 6.3510 6.6639 6.6639 8.0870 8.0870 10.9665 10.9665 11.1198 11.1198 13.3272 13.3272 13.5654 13.5654 13.6406 13.6406 k = 0.0568 0.0582 0.6986 ( 3822 PWs) bands (ev): -31.4224 -31.4224 -31.4112 -31.4112 -12.8051 -12.8051 -12.7647 -12.7647 -12.4743 -12.4743 -12.4143 -12.4143 -12.3246 -12.3246 -12.3149 -12.3149 -4.8263 -4.8263 -4.7962 -4.7962 -2.8093 -2.8093 -2.2661 -2.2661 1.7557 1.7557 1.8233 1.8233 3.7956 3.7956 4.0109 4.0109 4.3637 4.3637 4.7553 4.7553 5.2365 5.2365 5.3368 5.3368 5.8503 5.8503 6.3545 6.3545 6.6604 6.6604 8.0491 8.0491 10.9744 10.9744 11.1576 11.1576 13.2405 13.2405 13.5716 13.5716 13.6571 13.6571 k = 0.0682 0.0699 0.6986 ( 3818 PWs) bands (ev): -31.4222 -31.4222 -31.4114 -31.4114 -12.8040 -12.8040 -12.7648 -12.7648 -12.4736 -12.4736 -12.4148 -12.4148 -12.3249 -12.3249 -12.3160 -12.3160 -4.8258 -4.8258 -4.7966 -4.7966 -2.8019 -2.8019 -2.2745 -2.2745 1.7565 1.7565 1.8221 1.8221 3.7975 3.7975 4.0069 4.0069 4.3760 4.3760 4.7618 4.7618 5.2289 5.2289 5.3200 5.3200 5.8764 5.8764 6.3588 6.3588 6.6562 6.6562 8.0042 8.0042 10.9869 10.9869 11.1999 11.1999 13.1503 13.1503 13.5783 13.5783 13.6179 13.6179 k = 0.0795 0.0815 0.6986 ( 3818 PWs) bands (ev): -31.4220 -31.4220 -31.4116 -31.4116 -12.8027 -12.8027 -12.7649 -12.7649 -12.4728 -12.4728 -12.4155 -12.4155 -12.3253 -12.3253 -12.3172 -12.3172 -4.8253 -4.8253 -4.7970 -4.7970 -2.7931 -2.7931 -2.2844 -2.2844 1.7574 1.7574 1.8208 1.8208 3.7999 3.7999 4.0021 4.0021 4.3904 4.3904 4.7694 4.7694 5.2199 5.2199 5.3004 5.3004 5.9069 5.9069 6.3638 6.3638 6.6513 6.6513 7.9526 7.9526 11.0042 11.0042 11.2464 11.2464 13.0578 13.0578 13.5551 13.5551 13.5851 13.5851 k = 0.0909 0.0932 0.6986 ( 3812 PWs) bands (ev): -31.4218 -31.4218 -31.4118 -31.4118 -12.8012 -12.8012 -12.7650 -12.7650 -12.4718 -12.4718 -12.4163 -12.4163 -12.3257 -12.3257 -12.3184 -12.3184 -4.8247 -4.8247 -4.7975 -4.7975 -2.7831 -2.7831 -2.2956 -2.2956 1.7585 1.7585 1.8193 1.8193 3.8026 3.8026 3.9968 3.9968 4.4069 4.4069 4.7781 4.7781 5.2098 5.2098 5.2784 5.2784 5.9418 5.9418 6.3696 6.3696 6.6457 6.6457 7.8953 7.8953 11.0261 11.0261 11.2966 11.2966 12.9642 12.9642 13.4842 13.4842 13.5918 13.5918 k = 0.1023 0.1048 0.6986 ( 3822 PWs) bands (ev): -31.4216 -31.4216 -31.4120 -31.4120 -12.7996 -12.7996 -12.7653 -12.7653 -12.4707 -12.4707 -12.4173 -12.4173 -12.3262 -12.3262 -12.3198 -12.3198 -4.8240 -4.8240 -4.7981 -4.7981 -2.7719 -2.7719 -2.3080 -2.3080 1.7598 1.7598 1.8176 1.8176 3.8058 3.8058 3.9909 3.9909 4.4254 4.4254 4.7878 4.7878 5.1984 5.1984 5.2539 5.2539 5.9809 5.9809 6.3759 6.3759 6.6395 6.6395 7.8328 7.8328 11.0526 11.0526 11.3502 11.3502 12.8700 12.8700 13.4073 13.4073 13.5981 13.5981 k = 0.1136 0.1164 0.6986 ( 3826 PWs) bands (ev): -31.4213 -31.4213 -31.4123 -31.4123 -12.7978 -12.7978 -12.7656 -12.7656 -12.4695 -12.4695 -12.4184 -12.4184 -12.3267 -12.3267 -12.3213 -12.3213 -4.8232 -4.8232 -4.7988 -4.7988 -2.7595 -2.7595 -2.3217 -2.3217 1.7611 1.7611 1.8157 1.8157 3.8094 3.8094 3.9844 3.9844 4.4459 4.4459 4.7985 4.7985 5.1860 5.1860 5.2272 5.2272 6.0241 6.0241 6.3829 6.3829 6.6328 6.6328 7.7658 7.7658 11.0834 11.0834 11.4069 11.4069 12.7758 12.7758 13.3258 13.3258 13.6039 13.6039 k = 0.1250 0.1281 0.6986 ( 3820 PWs) bands (ev): -31.4210 -31.4210 -31.4126 -31.4126 -12.7960 -12.7960 -12.7659 -12.7659 -12.4681 -12.4681 -12.4196 -12.4196 -12.3272 -12.3272 -12.3226 -12.3226 -4.8224 -4.8224 -4.7995 -4.7995 -2.7461 -2.7461 -2.3365 -2.3365 1.7626 1.7626 1.8137 1.8137 3.8134 3.8134 3.9774 3.9774 4.4683 4.4683 4.8102 4.8102 5.1726 5.1726 5.1986 5.1986 6.0711 6.0711 6.3906 6.3906 6.6255 6.6255 7.6950 7.6950 11.1185 11.1185 11.4665 11.4665 12.6820 12.6820 13.2410 13.2410 13.6092 13.6092 k = 0.1364 0.1397 0.6986 ( 3812 PWs) bands (ev): -31.4207 -31.4207 -31.4129 -31.4129 -12.7940 -12.7940 -12.7663 -12.7663 -12.4664 -12.4664 -12.4211 -12.4211 -12.3277 -12.3277 -12.3240 -12.3240 -4.8215 -4.8215 -4.8003 -4.8003 -2.7316 -2.7316 -2.3524 -2.3524 1.7643 1.7643 1.8116 1.8116 3.8179 3.8179 3.9701 3.9701 4.4925 4.4925 4.8228 4.8228 5.1580 5.1580 5.1685 5.1685 6.1217 6.1217 6.3987 6.3987 6.6179 6.6179 7.6210 7.6210 11.1578 11.1578 11.5288 11.5288 12.5890 12.5890 13.1538 13.1538 13.6138 13.6138 k = 0.1477 0.1514 0.6986 ( 3808 PWs) bands (ev): -31.4204 -31.4204 -31.4132 -31.4132 -12.7921 -12.7921 -12.7667 -12.7667 -12.4647 -12.4647 -12.4227 -12.4227 -12.3283 -12.3283 -12.3253 -12.3253 -4.8206 -4.8206 -4.8011 -4.8011 -2.7161 -2.7161 -2.3691 -2.3691 1.7660 1.7660 1.8094 1.8094 3.8229 3.8229 3.9623 3.9623 4.5184 4.5184 4.8363 4.8363 5.1353 5.1353 5.1440 5.1440 6.1757 6.1757 6.4074 6.4074 6.6101 6.6101 7.5444 7.5444 11.2009 11.2009 11.5936 11.5936 12.4969 12.4969 13.0651 13.0651 13.6180 13.6180 k = 0.1591 0.1630 0.6986 ( 3800 PWs) bands (ev): -31.4200 -31.4200 -31.4136 -31.4136 -12.7901 -12.7901 -12.7672 -12.7672 -12.4629 -12.4629 -12.4244 -12.4244 -12.3288 -12.3288 -12.3265 -12.3265 -4.8196 -4.8196 -4.8019 -4.8019 -2.6997 -2.6997 -2.3868 -2.3868 1.7679 1.7679 1.8071 1.8071 3.8283 3.8283 3.9543 3.9543 4.5460 4.5460 4.8505 4.8505 5.1023 5.1023 5.1277 5.1277 6.2327 6.2327 6.4165 6.4165 6.6022 6.6022 7.4657 7.4657 11.2478 11.2478 11.6608 11.6608 12.4060 12.4060 12.9755 12.9755 13.6219 13.6219 k = 0.1705 0.1747 0.6986 ( 3800 PWs) bands (ev): -31.4196 -31.4196 -31.4139 -31.4139 -12.7881 -12.7881 -12.7679 -12.7679 -12.4609 -12.4609 -12.4264 -12.4264 -12.3293 -12.3293 -12.3276 -12.3276 -4.8186 -4.8186 -4.8029 -4.8029 -2.6825 -2.6825 -2.4051 -2.4051 1.7699 1.7699 1.8046 1.8046 3.8341 3.8341 3.9460 3.9460 4.5751 4.5751 4.8656 4.8656 5.0679 5.0679 5.1112 5.1112 6.2922 6.2922 6.4260 6.4260 6.5946 6.5946 7.3855 7.3855 11.2985 11.2985 11.7302 11.7302 12.3166 12.3166 12.8854 12.8854 13.6256 13.6256 k = 0.1818 0.1863 0.6986 ( 3802 PWs) bands (ev): -31.4193 -31.4193 -31.4143 -31.4143 -12.7861 -12.7861 -12.7686 -12.7686 -12.4587 -12.4587 -12.4286 -12.4286 -12.3298 -12.3298 -12.3286 -12.3286 -4.8175 -4.8175 -4.8038 -4.8038 -2.6646 -2.6646 -2.4241 -2.4241 1.7720 1.7720 1.8022 1.8022 3.8404 3.8404 3.9375 3.9375 4.6057 4.6057 4.8813 4.8813 5.0325 5.0325 5.0941 5.0941 6.3532 6.3532 6.4358 6.4358 6.5882 6.5882 7.3043 7.3043 11.3526 11.3526 11.8017 11.8017 12.2287 12.2287 12.7954 12.7954 13.6294 13.6294 k = 0.1932 0.1980 0.6986 ( 3810 PWs) bands (ev): -31.4189 -31.4189 -31.4147 -31.4147 -12.7842 -12.7842 -12.7695 -12.7695 -12.4565 -12.4565 -12.4309 -12.4309 -12.3302 -12.3302 -12.3294 -12.3294 -4.8164 -4.8164 -4.8048 -4.8048 -2.6460 -2.6460 -2.4437 -2.4437 1.7742 1.7742 1.7996 1.7996 3.8471 3.8471 3.9288 3.9288 4.6375 4.6375 4.8976 4.8976 4.9963 4.9963 5.0765 5.0765 6.4134 6.4134 6.4458 6.4458 6.5851 6.5851 7.2225 7.2225 11.4101 11.4101 11.8753 11.8753 12.1426 12.1426 12.7058 12.7058 13.6333 13.6333 k = 0.2045 0.2096 0.6986 ( 3810 PWs) bands (ev): -31.4185 -31.4185 -31.4151 -31.4151 -12.7823 -12.7823 -12.7704 -12.7704 -12.4541 -12.4541 -12.4333 -12.4333 -12.3306 -12.3306 -12.3301 -12.3301 -4.8153 -4.8153 -4.8059 -4.8059 -2.6268 -2.6268 -2.4637 -2.4637 1.7765 1.7765 1.7970 1.7970 3.8541 3.8541 3.9201 3.9201 4.6705 4.6705 4.9144 4.9144 4.9596 4.9596 5.0587 5.0587 6.4560 6.4560 6.4664 6.4664 6.5917 6.5917 7.1406 7.1406 11.4709 11.4709 11.9509 11.9509 12.0585 12.0585 12.6168 12.6168 13.6375 13.6375 k = 0.2159 0.2213 0.6986 ( 3810 PWs) bands (ev): -31.4181 -31.4181 -31.4155 -31.4155 -12.7805 -12.7805 -12.7715 -12.7715 -12.4516 -12.4516 -12.4358 -12.4358 -12.3310 -12.3310 -12.3306 -12.3306 -4.8142 -4.8142 -4.8069 -4.8069 -2.6071 -2.6071 -2.4840 -2.4840 1.7789 1.7789 1.7944 1.7944 3.8615 3.8615 3.9113 3.9113 4.7046 4.7046 4.9226 4.9226 4.9318 4.9318 5.0405 5.0405 6.4663 6.4663 6.4980 6.4980 6.6218 6.6218 7.0590 7.0590 11.5347 11.5347 11.9763 11.9763 12.0285 12.0285 12.5287 12.5287 13.6422 13.6422 k = 0.2273 0.2329 0.6986 ( 3810 PWs) bands (ev): -31.4176 -31.4176 -31.4160 -31.4160 -12.7787 -12.7787 -12.7727 -12.7727 -12.4491 -12.4491 -12.4384 -12.4384 -12.3312 -12.3312 -12.3309 -12.3309 -4.8131 -4.8131 -4.8080 -4.8080 -2.5870 -2.5870 -2.5045 -2.5045 1.7813 1.7813 1.7918 1.7918 3.8693 3.8693 3.9026 3.9026 4.7396 4.7396 4.8855 4.8855 4.9495 4.9495 5.0223 5.0223 6.4764 6.4764 6.5058 6.5058 6.6778 6.6778 6.9781 6.9781 11.6016 11.6016 11.8965 11.8965 12.1078 12.1078 12.4417 12.4417 13.6474 13.6474 k = 0.2386 0.2445 0.6986 ( 3818 PWs) bands (ev): -31.4172 -31.4172 -31.4164 -31.4164 -12.7771 -12.7771 -12.7741 -12.7741 -12.4465 -12.4465 -12.4411 -12.4411 -12.3313 -12.3313 -12.3312 -12.3312 -4.8120 -4.8120 -4.8091 -4.8091 -2.5667 -2.5667 -2.5252 -2.5252 1.7838 1.7838 1.7892 1.7892 3.8773 3.8773 3.8940 3.8940 4.7753 4.7753 4.8485 4.8485 4.9675 4.9675 5.0039 5.0039 6.4862 6.4862 6.5025 6.5025 6.7466 6.7466 6.8986 6.8986 11.6713 11.6713 11.8189 11.8189 12.1889 12.1889 12.3560 12.3560 13.6535 13.6546 k = 0.2500 0.2562 0.6986 ( 3816 PWs) bands (ev): -31.4168 -31.4168 -31.4168 -31.4168 -12.7755 -12.7755 -12.7755 -12.7755 -12.4438 -12.4438 -12.4438 -12.4438 -12.3314 -12.3314 -12.3313 -12.3313 -4.8108 -4.8108 -4.8102 -4.8102 -2.5461 -2.5461 -2.5458 -2.5458 1.7864 1.7864 1.7866 1.7866 3.8855 3.8855 3.8856 3.8856 4.8115 4.8115 4.8119 4.8119 4.9854 4.9854 4.9859 4.9859 6.4952 6.4952 6.4952 6.4952 6.8210 6.8210 6.8211 6.8211 11.7438 11.7438 11.7438 11.7438 12.2717 12.2717 12.2717 12.2717 13.6598 13.6599 Writing output data file CaxBCx2.save init_run : 0.24s CPU 0.65s WALL ( 1 calls) electrons : 327.95s CPU 333.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 327.94s CPU 333.76s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 321 calls) cegterg : 305.68s CPU 309.64s WALL ( 949 calls) Called by sum_band: Called by *egterg: h_psi : 164.63s CPU 166.97s WALL ( 17336 calls) s_psi : 8.41s CPU 8.57s WALL ( 17336 calls) g_psi : 0.35s CPU 0.33s WALL ( 16066 calls) cdiaghg : 121.80s CPU 123.96s WALL ( 16387 calls) cegterg:over : 9.56s CPU 9.39s WALL ( 16066 calls) cegterg:upda : 9.14s CPU 9.24s WALL ( 16066 calls) cegterg:last : 4.31s CPU 4.27s WALL ( 1912 calls) cdiaghg:chol : 6.72s CPU 6.82s WALL ( 16387 calls) cdiaghg:inve : 4.53s CPU 4.68s WALL ( 16387 calls) cdiaghg:para : 6.97s CPU 7.39s WALL ( 32774 calls) Called by h_psi: h_psi:vloc : 143.34s CPU 145.66s WALL ( 17336 calls) h_psi:vnl : 20.95s CPU 20.99s WALL ( 17336 calls) add_vuspsi : 10.58s CPU 10.67s WALL ( 17336 calls) General routines calbec : 10.32s CPU 10.27s WALL ( 17336 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 134.38s CPU 136.59s WALL ( 1308348 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.21s WALL ( 642 calls) Parallel routines fft_scatter : 43.87s CPU 44.62s WALL ( 1308371 calls) PWSCF : 5m44.58s CPU 6m21.17s WALL This run was terminated on: 16:27: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=