Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:50 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: ./SrN2.save/ 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 42 23 6 827 327 54 Max 43 24 7 831 344 57 Sum 1545 853 251 29865 12133 2009 bravais-lattice index = 14 lattice parameter (alat) = 7.8260 a.u. unit-cell volume = 307.6347 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.825975 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.577826 celldm(5)= -0.577826 celldm(6)= 0.155652 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.155652 0.987812 0.000000 ) a(3) = ( -0.577826 -0.493906 0.649749 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.157573 0.769528 ) b(2) = ( 0.000000 1.012338 0.769528 ) b(3) = ( 0.000000 0.000000 1.539056 ) PseudoPot. # 1 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Sr 10.00 87.62000 Sr( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 421 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 2) = ( 0.0000000 0.0000000 0.0130428), wk = 0.0023753 k( 3) = ( 0.0000000 0.0000000 0.0260857), wk = 0.0023753 k( 4) = ( 0.0000000 0.0000000 0.0391285), wk = 0.0023753 k( 5) = ( 0.0000000 0.0000000 0.0521714), wk = 0.0023753 k( 6) = ( 0.0000000 0.0000000 0.0652142), wk = 0.0023753 k( 7) = ( 0.0000000 0.0000000 0.0782571), wk = 0.0023753 k( 8) = ( 0.0000000 0.0000000 0.0912999), wk = 0.0023753 k( 9) = ( 0.0000000 0.0000000 0.1043427), wk = 0.0023753 k( 10) = ( 0.0000000 0.0000000 0.1173856), wk = 0.0023753 k( 11) = ( 0.0000000 0.0000000 0.1304284), wk = 0.0023753 k( 12) = ( 0.0000000 0.0000000 0.1434713), wk = 0.0023753 k( 13) = ( 0.0000000 0.0000000 0.1565141), wk = 0.0023753 k( 14) = ( 0.0000000 0.0000000 0.1695570), wk = 0.0023753 k( 15) = ( 0.0000000 0.0000000 0.1825998), wk = 0.0023753 k( 16) = ( 0.0000000 0.0000000 0.1956426), wk = 0.0023753 k( 17) = ( 0.0000000 0.0000000 0.2086855), wk = 0.0023753 k( 18) = ( 0.0000000 0.0000000 0.2217283), wk = 0.0023753 k( 19) = ( 0.0000000 0.0000000 0.2347712), wk = 0.0023753 k( 20) = ( 0.0000000 0.0000000 0.2478140), wk = 0.0023753 k( 21) = ( 0.0000000 0.0000000 0.2608569), wk = 0.0023753 k( 22) = ( 0.0000000 0.0000000 0.2738997), wk = 0.0023753 k( 23) = ( 0.0000000 0.0000000 0.2869426), wk = 0.0023753 k( 24) = ( 0.0000000 0.0000000 0.2999854), wk = 0.0023753 k( 25) = ( 0.0000000 0.0000000 0.3130282), wk = 0.0023753 k( 26) = ( 0.0000000 0.0000000 0.3260711), wk = 0.0023753 k( 27) = ( 0.0000000 0.0000000 0.3391139), wk = 0.0023753 k( 28) = ( 0.0000000 0.0000000 0.3521568), wk = 0.0023753 k( 29) = ( 0.0000000 0.0000000 0.3651996), wk = 0.0023753 k( 30) = ( 0.0000000 0.0000000 0.3782425), wk = 0.0023753 k( 31) = ( 0.0000000 0.0000000 0.3912853), wk = 0.0023753 k( 32) = ( 0.0000000 0.0000000 0.4043281), wk = 0.0023753 k( 33) = ( 0.0000000 0.0000000 0.4173710), wk = 0.0023753 k( 34) = ( 0.0000000 0.0000000 0.4304138), wk = 0.0023753 k( 35) = ( 0.0000000 0.0000000 0.4434567), wk = 0.0023753 k( 36) = ( 0.0000000 0.0000000 0.4564995), wk = 0.0023753 k( 37) = ( 0.0000000 0.0000000 0.4695424), wk = 0.0023753 k( 38) = ( 0.0000000 0.0000000 0.4825852), wk = 0.0023753 k( 39) = ( 0.0000000 0.0000000 0.4956281), wk = 0.0023753 k( 40) = ( 0.0000000 0.0000000 0.5086709), wk = 0.0023753 k( 41) = ( 0.0000000 0.0000000 0.5217137), wk = 0.0023753 k( 42) = ( 0.0000000 0.0000000 0.5347566), wk = 0.0023753 k( 43) = ( 0.0000000 0.0000000 0.5477994), wk = 0.0023753 k( 44) = ( 0.0000000 0.0000000 0.5608423), wk = 0.0023753 k( 45) = ( 0.0000000 0.0000000 0.5738851), wk = 0.0023753 k( 46) = ( 0.0000000 0.0000000 0.5869280), wk = 0.0023753 k( 47) = ( 0.0000000 0.0000000 0.5999708), wk = 0.0023753 k( 48) = ( 0.0000000 0.0000000 0.6130136), wk = 0.0023753 k( 49) = ( 0.0000000 0.0000000 0.6260565), wk = 0.0023753 k( 50) = ( 0.0000000 0.0000000 0.6390993), wk = 0.0023753 k( 51) = ( 0.0000000 0.0000000 0.6521422), wk = 0.0023753 k( 52) = ( 0.0000000 0.0000000 0.6651850), wk = 0.0023753 k( 53) = ( 0.0000000 0.0000000 0.6782279), wk = 0.0023753 k( 54) = ( 0.0000000 0.0000000 0.6912707), wk = 0.0023753 k( 55) = ( 0.0000000 0.0000000 0.7043136), wk = 0.0023753 k( 56) = ( 0.0000000 0.0000000 0.7173564), wk = 0.0023753 k( 57) = ( 0.0000000 0.0000000 0.7303992), wk = 0.0023753 k( 58) = ( 0.0000000 0.0000000 0.7434421), wk = 0.0023753 k( 59) = ( 0.0000000 0.0000000 0.7564849), wk = 0.0023753 k( 60) = ( 0.0000000 0.0000000 0.7695278), wk = 0.0023753 k( 61) = ( 0.0000000 0.0000000 0.7695278), wk = 0.0023753 k( 62) = ( -0.0083026 0.0097132 0.7695278), wk = 0.0023753 k( 63) = ( -0.0166051 0.0194265 0.7695278), wk = 0.0023753 k( 64) = ( -0.0249077 0.0291397 0.7695278), wk = 0.0023753 k( 65) = ( -0.0332102 0.0388530 0.7695278), wk = 0.0023753 k( 66) = ( -0.0415128 0.0485662 0.7695278), wk = 0.0023753 k( 67) = ( -0.0498153 0.0582795 0.7695278), wk = 0.0023753 k( 68) = ( -0.0581179 0.0679927 0.7695278), wk = 0.0023753 k( 69) = ( -0.0664204 0.0777060 0.7695278), wk = 0.0023753 k( 70) = ( -0.0747230 0.0874192 0.7695278), wk = 0.0023753 k( 71) = ( -0.0830255 0.0971325 0.7695278), wk = 0.0023753 k( 72) = ( -0.0913281 0.1068457 0.7695278), wk = 0.0023753 k( 73) = ( -0.0996306 0.1165590 0.7695278), wk = 0.0023753 k( 74) = ( -0.1079332 0.1262722 0.7695278), wk = 0.0023753 k( 75) = ( -0.1162357 0.1359855 0.7695278), wk = 0.0023753 k( 76) = ( -0.1245383 0.1456987 0.7695278), wk = 0.0023753 k( 77) = ( -0.1328408 0.1554120 0.7695278), wk = 0.0023753 k( 78) = ( -0.1411434 0.1651252 0.7695278), wk = 0.0023753 k( 79) = ( -0.1494459 0.1748385 0.7695278), wk = 0.0023753 k( 80) = ( -0.1577485 0.1845517 0.7695278), wk = 0.0023753 k( 81) = ( -0.1660510 0.1942650 0.7695278), wk = 0.0023753 k( 82) = ( -0.1743536 0.2039782 0.7695278), wk = 0.0023753 k( 83) = ( -0.1826561 0.2136915 0.7695278), wk = 0.0023753 k( 84) = ( -0.1826561 0.2136915 0.7695278), wk = 0.0023753 k( 85) = ( -0.1885329 0.2205667 0.7604831), wk = 0.0023753 k( 86) = ( -0.1944096 0.2274420 0.7514385), wk = 0.0023753 k( 87) = ( -0.2002864 0.2343172 0.7423939), wk = 0.0023753 k( 88) = ( -0.2061631 0.2411925 0.7333493), wk = 0.0023753 k( 89) = ( -0.2120398 0.2480678 0.7243046), wk = 0.0023753 k( 90) = ( -0.2179166 0.2549430 0.7152600), wk = 0.0023753 k( 91) = ( -0.2237933 0.2618183 0.7062154), wk = 0.0023753 k( 92) = ( -0.2296700 0.2686935 0.6971708), wk = 0.0023753 k( 93) = ( -0.2355468 0.2755688 0.6881261), wk = 0.0023753 k( 94) = ( -0.2414235 0.2824441 0.6790815), wk = 0.0023753 k( 95) = ( -0.2473003 0.2893193 0.6700369), wk = 0.0023753 k( 96) = ( -0.2531770 0.2961946 0.6609922), wk = 0.0023753 k( 97) = ( -0.2590537 0.3030698 0.6519476), wk = 0.0023753 k( 98) = ( -0.2649305 0.3099451 0.6429030), wk = 0.0023753 k( 99) = ( -0.2708072 0.3168204 0.6338584), wk = 0.0023753 k( 100) = ( -0.2766840 0.3236956 0.6248137), wk = 0.0023753 k( 101) = ( -0.2825607 0.3305709 0.6157691), wk = 0.0023753 k( 102) = ( -0.2884374 0.3374461 0.6067245), wk = 0.0023753 k( 103) = ( -0.2943142 0.3443214 0.5976799), wk = 0.0023753 k( 104) = ( -0.3001909 0.3511967 0.5886352), wk = 0.0023753 k( 105) = ( -0.3060677 0.3580719 0.5795906), wk = 0.0023753 k( 106) = ( -0.3119444 0.3649472 0.5705460), wk = 0.0023753 k( 107) = ( -0.3178211 0.3718225 0.5615014), wk = 0.0023753 k( 108) = ( -0.3236979 0.3786977 0.5524567), wk = 0.0023753 k( 109) = ( -0.3295746 0.3855730 0.5434121), wk = 0.0023753 k( 110) = ( -0.3354513 0.3924482 0.5343675), wk = 0.0023753 k( 111) = ( -0.3413281 0.3993235 0.5253229), wk = 0.0023753 k( 112) = ( -0.3413281 0.3993235 0.5253229), wk = 0.0023753 k( 113) = ( -0.3353399 0.3923178 0.5161067), wk = 0.0023753 k( 114) = ( -0.3293516 0.3853121 0.5068905), wk = 0.0023753 k( 115) = ( -0.3233634 0.3783065 0.4976743), wk = 0.0023753 k( 116) = ( -0.3173752 0.3713008 0.4884581), wk = 0.0023753 k( 117) = ( -0.3113870 0.3642951 0.4792419), wk = 0.0023753 k( 118) = ( -0.3053988 0.3572894 0.4700257), wk = 0.0023753 k( 119) = ( -0.2994106 0.3502838 0.4608095), wk = 0.0023753 k( 120) = ( -0.2934224 0.3432781 0.4515933), wk = 0.0023753 k( 121) = ( -0.2874342 0.3362724 0.4423772), wk = 0.0023753 k( 122) = ( -0.2814460 0.3292667 0.4331610), wk = 0.0023753 k( 123) = ( -0.2754577 0.3222611 0.4239448), wk = 0.0023753 k( 124) = ( -0.2694695 0.3152554 0.4147286), wk = 0.0023753 k( 125) = ( -0.2634813 0.3082497 0.4055124), wk = 0.0023753 k( 126) = ( -0.2574931 0.3012440 0.3962962), wk = 0.0023753 k( 127) = ( -0.2515049 0.2942384 0.3870800), wk = 0.0023753 k( 128) = ( -0.2455167 0.2872327 0.3778638), wk = 0.0023753 k( 129) = ( -0.2395285 0.2802270 0.3686476), wk = 0.0023753 k( 130) = ( -0.2335403 0.2732213 0.3594314), wk = 0.0023753 k( 131) = ( -0.2275521 0.2662157 0.3502152), wk = 0.0023753 k( 132) = ( -0.2215638 0.2592100 0.3409991), wk = 0.0023753 k( 133) = ( -0.2155756 0.2522043 0.3317829), wk = 0.0023753 k( 134) = ( -0.2095874 0.2451986 0.3225667), wk = 0.0023753 k( 135) = ( -0.2035992 0.2381930 0.3133505), wk = 0.0023753 k( 136) = ( -0.1976110 0.2311873 0.3041343), wk = 0.0023753 k( 137) = ( -0.1916228 0.2241816 0.2949181), wk = 0.0023753 k( 138) = ( -0.1856346 0.2171759 0.2857019), wk = 0.0023753 k( 139) = ( -0.1796464 0.2101703 0.2764857), wk = 0.0023753 k( 140) = ( -0.1736581 0.2031646 0.2672695), wk = 0.0023753 k( 141) = ( -0.1676699 0.1961589 0.2580533), wk = 0.0023753 k( 142) = ( -0.1616817 0.1891532 0.2488371), wk = 0.0023753 k( 143) = ( -0.1556935 0.1821476 0.2396210), wk = 0.0023753 k( 144) = ( -0.1497053 0.1751419 0.2304048), wk = 0.0023753 k( 145) = ( -0.1437171 0.1681362 0.2211886), wk = 0.0023753 k( 146) = ( -0.1377289 0.1611305 0.2119724), wk = 0.0023753 k( 147) = ( -0.1317407 0.1541249 0.2027562), wk = 0.0023753 k( 148) = ( -0.1257524 0.1471192 0.1935400), wk = 0.0023753 k( 149) = ( -0.1197642 0.1401135 0.1843238), wk = 0.0023753 k( 150) = ( -0.1137760 0.1331078 0.1751076), wk = 0.0023753 k( 151) = ( -0.1077878 0.1261022 0.1658914), wk = 0.0023753 k( 152) = ( -0.1017996 0.1190965 0.1566752), wk = 0.0023753 k( 153) = ( -0.0958114 0.1120908 0.1474591), wk = 0.0023753 k( 154) = ( -0.0898232 0.1050851 0.1382429), wk = 0.0023753 k( 155) = ( -0.0838350 0.0980795 0.1290267), wk = 0.0023753 k( 156) = ( -0.0778468 0.0910738 0.1198105), wk = 0.0023753 k( 157) = ( -0.0718585 0.0840681 0.1105943), wk = 0.0023753 k( 158) = ( -0.0658703 0.0770624 0.1013781), wk = 0.0023753 k( 159) = ( -0.0598821 0.0700568 0.0921619), wk = 0.0023753 k( 160) = ( -0.0538939 0.0630511 0.0829457), wk = 0.0023753 k( 161) = ( -0.0479057 0.0560454 0.0737295), wk = 0.0023753 k( 162) = ( -0.0419175 0.0490397 0.0645133), wk = 0.0023753 k( 163) = ( -0.0359293 0.0420341 0.0552971), wk = 0.0023753 k( 164) = ( -0.0299411 0.0350284 0.0460810), wk = 0.0023753 k( 165) = ( -0.0239529 0.0280227 0.0368648), wk = 0.0023753 k( 166) = ( -0.0179646 0.0210170 0.0276486), wk = 0.0023753 k( 167) = ( -0.0119764 0.0140113 0.0184324), wk = 0.0023753 k( 168) = ( -0.0059882 0.0070057 0.0092162), wk = 0.0023753 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 171) = ( 0.0100000 0.0085477 -0.0000000), wk = 0.0023753 k( 172) = ( 0.0200000 0.0170953 -0.0000000), wk = 0.0023753 k( 173) = ( 0.0300000 0.0256430 0.0000000), wk = 0.0023753 k( 174) = ( 0.0400000 0.0341906 -0.0000000), wk = 0.0023753 k( 175) = ( 0.0500000 0.0427383 -0.0000000), wk = 0.0023753 k( 176) = ( 0.0600000 0.0512859 0.0000000), wk = 0.0023753 k( 177) = ( 0.0700000 0.0598336 -0.0000000), wk = 0.0023753 k( 178) = ( 0.0800000 0.0683813 -0.0000000), wk = 0.0023753 k( 179) = ( 0.0900000 0.0769289 0.0000000), wk = 0.0023753 k( 180) = ( 0.1000000 0.0854766 -0.0000000), wk = 0.0023753 k( 181) = ( 0.1100000 0.0940242 0.0000000), wk = 0.0023753 k( 182) = ( 0.1200000 0.1025719 0.0000000), wk = 0.0023753 k( 183) = ( 0.1300000 0.1111196 -0.0000000), wk = 0.0023753 k( 184) = ( 0.1400000 0.1196672 -0.0000000), wk = 0.0023753 k( 185) = ( 0.1500000 0.1282149 0.0000000), wk = 0.0023753 k( 186) = ( 0.1600000 0.1367625 -0.0000000), wk = 0.0023753 k( 187) = ( 0.1700000 0.1453102 0.0000000), wk = 0.0023753 k( 188) = ( 0.1800000 0.1538578 0.0000000), wk = 0.0023753 k( 189) = ( 0.1900000 0.1624055 -0.0000000), wk = 0.0023753 k( 190) = ( 0.2000000 0.1709532 -0.0000000), wk = 0.0023753 k( 191) = ( 0.2100000 0.1795008 0.0000000), wk = 0.0023753 k( 192) = ( 0.2200000 0.1880485 0.0000000), wk = 0.0023753 k( 193) = ( 0.2300000 0.1965961 0.0000000), wk = 0.0023753 k( 194) = ( 0.2400000 0.2051438 0.0000000), wk = 0.0023753 k( 195) = ( 0.2500000 0.2136915 0.0000000), wk = 0.0023753 k( 196) = ( 0.2600000 0.2222391 -0.0000000), wk = 0.0023753 k( 197) = ( 0.2700000 0.2307868 -0.0000000), wk = 0.0023753 k( 198) = ( 0.2800000 0.2393344 -0.0000000), wk = 0.0023753 k( 199) = ( 0.2900000 0.2478821 0.0000000), wk = 0.0023753 k( 200) = ( 0.3000000 0.2564297 0.0000000), wk = 0.0023753 k( 201) = ( 0.3100000 0.2649774 0.0000000), wk = 0.0023753 k( 202) = ( 0.3200000 0.2735251 -0.0000000), wk = 0.0023753 k( 203) = ( 0.3300000 0.2820727 0.0000000), wk = 0.0023753 k( 204) = ( 0.3400000 0.2906204 0.0000000), wk = 0.0023753 k( 205) = ( 0.3500000 0.2991680 0.0000000), wk = 0.0023753 k( 206) = ( 0.3600000 0.3077157 0.0000000), wk = 0.0023753 k( 207) = ( 0.3700000 0.3162634 0.0000000), wk = 0.0023753 k( 208) = ( 0.3800000 0.3248110 -0.0000000), wk = 0.0023753 k( 209) = ( 0.3900000 0.3333587 -0.0000000), wk = 0.0023753 k( 210) = ( 0.4000000 0.3419063 -0.0000000), wk = 0.0023753 k( 211) = ( 0.4100000 0.3504540 0.0000000), wk = 0.0023753 k( 212) = ( 0.4200000 0.3590016 0.0000000), wk = 0.0023753 k( 213) = ( 0.4300000 0.3675493 0.0000000), wk = 0.0023753 k( 214) = ( 0.4400000 0.3760970 0.0000000), wk = 0.0023753 k( 215) = ( 0.4500000 0.3846446 0.0000000), wk = 0.0023753 k( 216) = ( 0.4600000 0.3931923 0.0000000), wk = 0.0023753 k( 217) = ( 0.4700000 0.4017399 0.0000000), wk = 0.0023753 k( 218) = ( 0.4800000 0.4102876 0.0000000), wk = 0.0023753 k( 219) = ( 0.4900000 0.4188352 0.0000000), wk = 0.0023753 k( 220) = ( 0.5000000 0.4273829 0.0000000), wk = 0.0023753 k( 221) = ( 0.5000000 0.4273829 0.0000000), wk = 0.0023753 k( 222) = ( 0.4941233 0.4342582 0.0090446), wk = 0.0023753 k( 223) = ( 0.4882465 0.4411334 0.0180893), wk = 0.0023753 k( 224) = ( 0.4823698 0.4480087 0.0271339), wk = 0.0023753 k( 225) = ( 0.4764930 0.4548839 0.0361785), wk = 0.0023753 k( 226) = ( 0.4706163 0.4617592 0.0452231), wk = 0.0023753 k( 227) = ( 0.4647396 0.4686345 0.0542678), wk = 0.0023753 k( 228) = ( 0.4588628 0.4755097 0.0633124), wk = 0.0023753 k( 229) = ( 0.4529861 0.4823850 0.0723570), wk = 0.0023753 k( 230) = ( 0.4471094 0.4892603 0.0814016), wk = 0.0023753 k( 231) = ( 0.4412326 0.4961355 0.0904463), wk = 0.0023753 k( 232) = ( 0.4353559 0.5030108 0.0994909), wk = 0.0023753 k( 233) = ( 0.4294791 0.5098860 0.1085355), wk = 0.0023753 k( 234) = ( 0.4236024 0.5167613 0.1175801), wk = 0.0023753 k( 235) = ( 0.4177257 0.5236366 0.1266248), wk = 0.0023753 k( 236) = ( 0.4118489 0.5305118 0.1356694), wk = 0.0023753 k( 237) = ( 0.4059722 0.5373871 0.1447140), wk = 0.0023753 k( 238) = ( 0.4000955 0.5442623 0.1537587), wk = 0.0023753 k( 239) = ( 0.3942187 0.5511376 0.1628033), wk = 0.0023753 k( 240) = ( 0.3883420 0.5580129 0.1718479), wk = 0.0023753 k( 241) = ( 0.3824652 0.5648881 0.1808925), wk = 0.0023753 k( 242) = ( 0.3765885 0.5717634 0.1899372), wk = 0.0023753 k( 243) = ( 0.3707118 0.5786387 0.1989818), wk = 0.0023753 k( 244) = ( 0.3648350 0.5855139 0.2080264), wk = 0.0023753 k( 245) = ( 0.3589583 0.5923892 0.2170710), wk = 0.0023753 k( 246) = ( 0.3530816 0.5992644 0.2261157), wk = 0.0023753 k( 247) = ( 0.3472048 0.6061397 0.2351603), wk = 0.0023753 k( 248) = ( 0.3413281 0.6130150 0.2442049), wk = 0.0023753 k( 249) = ( 0.3413281 0.6130150 0.2442049), wk = 0.0023753 k( 250) = ( 0.3299505 0.6094534 0.2488902), wk = 0.0023753 k( 251) = ( 0.3185729 0.6058919 0.2535755), wk = 0.0023753 k( 252) = ( 0.3071953 0.6023304 0.2582608), wk = 0.0023753 k( 253) = ( 0.2958177 0.5987689 0.2629461), wk = 0.0023753 k( 254) = ( 0.2844401 0.5952073 0.2676314), wk = 0.0023753 k( 255) = ( 0.2730625 0.5916458 0.2723167), wk = 0.0023753 k( 256) = ( 0.2616849 0.5880843 0.2770020), wk = 0.0023753 k( 257) = ( 0.2503072 0.5845228 0.2816873), wk = 0.0023753 k( 258) = ( 0.2389296 0.5809612 0.2863726), wk = 0.0023753 k( 259) = ( 0.2275521 0.5773997 0.2910579), wk = 0.0023753 k( 260) = ( 0.2161744 0.5738382 0.2957432), wk = 0.0023753 k( 261) = ( 0.2047968 0.5702767 0.3004285), wk = 0.0023753 k( 262) = ( 0.1934192 0.5667151 0.3051138), wk = 0.0023753 k( 263) = ( 0.1820416 0.5631536 0.3097991), wk = 0.0023753 k( 264) = ( 0.1706640 0.5595921 0.3144844), wk = 0.0023753 k( 265) = ( 0.1592864 0.5560306 0.3191697), wk = 0.0023753 k( 266) = ( 0.1479088 0.5524690 0.3238550), wk = 0.0023753 k( 267) = ( 0.1365312 0.5489075 0.3285403), wk = 0.0023753 k( 268) = ( 0.1251536 0.5453460 0.3332256), wk = 0.0023753 k( 269) = ( 0.1137760 0.5417845 0.3379109), wk = 0.0023753 k( 270) = ( 0.1023984 0.5382229 0.3425962), wk = 0.0023753 k( 271) = ( 0.0910208 0.5346614 0.3472815), wk = 0.0023753 k( 272) = ( 0.0796432 0.5310999 0.3519668), wk = 0.0023753 k( 273) = ( 0.0682656 0.5275384 0.3566521), wk = 0.0023753 k( 274) = ( 0.0568880 0.5239768 0.3613374), wk = 0.0023753 k( 275) = ( 0.0455104 0.5204153 0.3660227), wk = 0.0023753 k( 276) = ( 0.0341328 0.5168538 0.3707080), wk = 0.0023753 k( 277) = ( 0.0227552 0.5132923 0.3753933), wk = 0.0023753 k( 278) = ( 0.0113776 0.5097307 0.3800786), wk = 0.0023753 k( 279) = ( 0.0000000 0.5061692 0.3847639), wk = 0.0023753 k( 280) = ( 0.0000000 0.5061692 0.3847639), wk = 0.0023753 k( 281) = ( 0.0059524 0.4992055 0.3939249), wk = 0.0023753 k( 282) = ( 0.0119048 0.4922417 0.4030860), wk = 0.0023753 k( 283) = ( 0.0178571 0.4852780 0.4122470), wk = 0.0023753 k( 284) = ( 0.0238095 0.4783142 0.4214081), wk = 0.0023753 k( 285) = ( 0.0297619 0.4713504 0.4305691), wk = 0.0023753 k( 286) = ( 0.0357143 0.4643867 0.4397302), wk = 0.0023753 k( 287) = ( 0.0416667 0.4574229 0.4488912), wk = 0.0023753 k( 288) = ( 0.0476191 0.4504592 0.4580522), wk = 0.0023753 k( 289) = ( 0.0535714 0.4434954 0.4672133), wk = 0.0023753 k( 290) = ( 0.0595238 0.4365317 0.4763743), wk = 0.0023753 k( 291) = ( 0.0654762 0.4295679 0.4855354), wk = 0.0023753 k( 292) = ( 0.0714286 0.4226041 0.4946964), wk = 0.0023753 k( 293) = ( 0.0773810 0.4156404 0.5038575), wk = 0.0023753 k( 294) = ( 0.0833333 0.4086766 0.5130185), wk = 0.0023753 k( 295) = ( 0.0892857 0.4017129 0.5221796), wk = 0.0023753 k( 296) = ( 0.0952381 0.3947491 0.5313406), wk = 0.0023753 k( 297) = ( 0.1011905 0.3877854 0.5405017), wk = 0.0023753 k( 298) = ( 0.1071429 0.3808216 0.5496627), wk = 0.0023753 k( 299) = ( 0.1130952 0.3738578 0.5588237), wk = 0.0023753 k( 300) = ( 0.1190476 0.3668941 0.5679848), wk = 0.0023753 k( 301) = ( 0.1250000 0.3599303 0.5771458), wk = 0.0023753 k( 302) = ( 0.1309524 0.3529666 0.5863069), wk = 0.0023753 k( 303) = ( 0.1369048 0.3460028 0.5954679), wk = 0.0023753 k( 304) = ( 0.1428571 0.3390391 0.6046290), wk = 0.0023753 k( 305) = ( 0.1488095 0.3320753 0.6137900), wk = 0.0023753 k( 306) = ( 0.1547619 0.3251116 0.6229510), wk = 0.0023753 k( 307) = ( 0.1607143 0.3181478 0.6321121), wk = 0.0023753 k( 308) = ( 0.1666667 0.3111840 0.6412731), wk = 0.0023753 k( 309) = ( 0.1726190 0.3042203 0.6504342), wk = 0.0023753 k( 310) = ( 0.1785714 0.2972565 0.6595952), wk = 0.0023753 k( 311) = ( 0.1845238 0.2902928 0.6687563), wk = 0.0023753 k( 312) = ( 0.1904762 0.2833290 0.6779173), wk = 0.0023753 k( 313) = ( 0.1964286 0.2763653 0.6870784), wk = 0.0023753 k( 314) = ( 0.2023810 0.2694015 0.6962394), wk = 0.0023753 k( 315) = ( 0.2083333 0.2624378 0.7054005), wk = 0.0023753 k( 316) = ( 0.2142857 0.2554740 0.7145615), wk = 0.0023753 k( 317) = ( 0.2202381 0.2485102 0.7237226), wk = 0.0023753 k( 318) = ( 0.2261905 0.2415465 0.7328836), wk = 0.0023753 k( 319) = ( 0.2321429 0.2345827 0.7420446), wk = 0.0023753 k( 320) = ( 0.2380952 0.2276190 0.7512057), wk = 0.0023753 k( 321) = ( 0.2440476 0.2206552 0.7603667), wk = 0.0023753 k( 322) = ( 0.2500000 0.2136915 0.7695278), wk = 0.0023753 k( 323) = ( 0.2500000 0.2136915 0.7695278), wk = 0.0023753 k( 324) = ( 0.2575758 0.2201670 0.7610091), wk = 0.0023753 k( 325) = ( 0.2651515 0.2266425 0.7524903), wk = 0.0023753 k( 326) = ( 0.2727273 0.2331179 0.7439716), wk = 0.0023753 k( 327) = ( 0.2803030 0.2395934 0.7354529), wk = 0.0023753 k( 328) = ( 0.2878788 0.2460689 0.7269341), wk = 0.0023753 k( 329) = ( 0.2954545 0.2525444 0.7184154), wk = 0.0023753 k( 330) = ( 0.3030303 0.2590199 0.7098967), wk = 0.0023753 k( 331) = ( 0.3106061 0.2654954 0.7013780), wk = 0.0023753 k( 332) = ( 0.3181818 0.2719709 0.6928592), wk = 0.0023753 k( 333) = ( 0.3257576 0.2784464 0.6843405), wk = 0.0023753 k( 334) = ( 0.3333333 0.2849219 0.6758218), wk = 0.0023753 k( 335) = ( 0.3409091 0.2913974 0.6673031), wk = 0.0023753 k( 336) = ( 0.3484849 0.2978729 0.6587843), wk = 0.0023753 k( 337) = ( 0.3560606 0.3043484 0.6502656), wk = 0.0023753 k( 338) = ( 0.3636364 0.3108239 0.6417469), wk = 0.0023753 k( 339) = ( 0.3712121 0.3172994 0.6332281), wk = 0.0023753 k( 340) = ( 0.3787879 0.3237749 0.6247094), wk = 0.0023753 k( 341) = ( 0.3863636 0.3302504 0.6161907), wk = 0.0023753 k( 342) = ( 0.3939394 0.3367259 0.6076720), wk = 0.0023753 k( 343) = ( 0.4015151 0.3432014 0.5991532), wk = 0.0023753 k( 344) = ( 0.4090909 0.3496769 0.5906345), wk = 0.0023753 k( 345) = ( 0.4166667 0.3561524 0.5821158), wk = 0.0023753 k( 346) = ( 0.4242424 0.3626279 0.5735971), wk = 0.0023753 k( 347) = ( 0.4318182 0.3691034 0.5650783), wk = 0.0023753 k( 348) = ( 0.4393939 0.3755789 0.5565596), wk = 0.0023753 k( 349) = ( 0.4469697 0.3820544 0.5480409), wk = 0.0023753 k( 350) = ( 0.4545455 0.3885299 0.5395222), wk = 0.0023753 k( 351) = ( 0.4621212 0.3950054 0.5310034), wk = 0.0023753 k( 352) = ( 0.4696970 0.4014809 0.5224847), wk = 0.0023753 k( 353) = ( 0.4772727 0.4079564 0.5139660), wk = 0.0023753 k( 354) = ( 0.4848485 0.4144319 0.5054473), wk = 0.0023753 k( 355) = ( 0.4924242 0.4209074 0.4969285), wk = 0.0023753 k( 356) = ( 0.5000000 0.4273829 0.4884098), wk = 0.0023753 k( 357) = ( 0.5000000 0.4273829 0.4884098), wk = 0.0023753 k( 358) = ( 0.5000000 0.4273829 0.4755569), wk = 0.0023753 k( 359) = ( 0.5000000 0.4273829 0.4627040), wk = 0.0023753 k( 360) = ( 0.5000000 0.4273829 0.4498511), wk = 0.0023753 k( 361) = ( 0.5000000 0.4273829 0.4369983), wk = 0.0023753 k( 362) = ( 0.5000000 0.4273829 0.4241454), wk = 0.0023753 k( 363) = ( 0.5000000 0.4273829 0.4112925), wk = 0.0023753 k( 364) = ( 0.5000000 0.4273829 0.3984396), wk = 0.0023753 k( 365) = ( 0.5000000 0.4273829 0.3855867), wk = 0.0023753 k( 366) = ( 0.5000000 0.4273829 0.3727338), wk = 0.0023753 k( 367) = ( 0.5000000 0.4273829 0.3598809), wk = 0.0023753 k( 368) = ( 0.5000000 0.4273829 0.3470280), wk = 0.0023753 k( 369) = ( 0.5000000 0.4273829 0.3341751), wk = 0.0023753 k( 370) = ( 0.5000000 0.4273829 0.3213222), wk = 0.0023753 k( 371) = ( 0.5000000 0.4273829 0.3084694), wk = 0.0023753 k( 372) = ( 0.5000000 0.4273829 0.2956165), wk = 0.0023753 k( 373) = ( 0.5000000 0.4273829 0.2827636), wk = 0.0023753 k( 374) = ( 0.5000000 0.4273829 0.2699107), wk = 0.0023753 k( 375) = ( 0.5000000 0.4273829 0.2570578), wk = 0.0023753 k( 376) = ( 0.5000000 0.4273829 0.2442049), wk = 0.0023753 k( 377) = ( 0.5000000 0.4273829 0.2313520), wk = 0.0023753 k( 378) = ( 0.5000000 0.4273829 0.2184991), wk = 0.0023753 k( 379) = ( 0.5000000 0.4273829 0.2056462), wk = 0.0023753 k( 380) = ( 0.5000000 0.4273829 0.1927933), wk = 0.0023753 k( 381) = ( 0.5000000 0.4273829 0.1799405), wk = 0.0023753 k( 382) = ( 0.5000000 0.4273829 0.1670876), wk = 0.0023753 k( 383) = ( 0.5000000 0.4273829 0.1542347), wk = 0.0023753 k( 384) = ( 0.5000000 0.4273829 0.1413818), wk = 0.0023753 k( 385) = ( 0.5000000 0.4273829 0.1285289), wk = 0.0023753 k( 386) = ( 0.5000000 0.4273829 0.1156760), wk = 0.0023753 k( 387) = ( 0.5000000 0.4273829 0.1028231), wk = 0.0023753 k( 388) = ( 0.5000000 0.4273829 0.0899702), wk = 0.0023753 k( 389) = ( 0.5000000 0.4273829 0.0771173), wk = 0.0023753 k( 390) = ( 0.5000000 0.4273829 0.0642644), wk = 0.0023753 k( 391) = ( 0.5000000 0.4273829 0.0514116), wk = 0.0023753 k( 392) = ( 0.5000000 0.4273829 0.0385587), wk = 0.0023753 k( 393) = ( 0.5000000 0.4273829 0.0257058), wk = 0.0023753 k( 394) = ( 0.5000000 0.4273829 0.0128529), wk = 0.0023753 k( 395) = ( 0.5000000 0.4273829 0.0000000), wk = 0.0023753 k( 396) = ( 0.0000000 0.0000000 0.7695278), wk = 0.0023753 k( 397) = ( 0.0100000 0.0085477 0.7695278), wk = 0.0023753 k( 398) = ( 0.0200000 0.0170953 0.7695278), wk = 0.0023753 k( 399) = ( 0.0300000 0.0256430 0.7695278), wk = 0.0023753 k( 400) = ( 0.0400000 0.0341906 0.7695278), wk = 0.0023753 k( 401) = ( 0.0500000 0.0427383 0.7695278), wk = 0.0023753 k( 402) = ( 0.0600000 0.0512859 0.7695278), wk = 0.0023753 k( 403) = ( 0.0700000 0.0598336 0.7695278), wk = 0.0023753 k( 404) = ( 0.0800000 0.0683813 0.7695278), wk = 0.0023753 k( 405) = ( 0.0900000 0.0769289 0.7695278), wk = 0.0023753 k( 406) = ( 0.1000000 0.0854766 0.7695278), wk = 0.0023753 k( 407) = ( 0.1100000 0.0940242 0.7695278), wk = 0.0023753 k( 408) = ( 0.1200000 0.1025719 0.7695278), wk = 0.0023753 k( 409) = ( 0.1300000 0.1111196 0.7695278), wk = 0.0023753 k( 410) = ( 0.1400000 0.1196672 0.7695278), wk = 0.0023753 k( 411) = ( 0.1500000 0.1282149 0.7695278), wk = 0.0023753 k( 412) = ( 0.1600000 0.1367625 0.7695278), wk = 0.0023753 k( 413) = ( 0.1700000 0.1453102 0.7695278), wk = 0.0023753 k( 414) = ( 0.1800000 0.1538578 0.7695278), wk = 0.0023753 k( 415) = ( 0.1900000 0.1624055 0.7695278), wk = 0.0023753 k( 416) = ( 0.2000000 0.1709532 0.7695278), wk = 0.0023753 k( 417) = ( 0.2100000 0.1795008 0.7695278), wk = 0.0023753 k( 418) = ( 0.2200000 0.1880485 0.7695278), wk = 0.0023753 k( 419) = ( 0.2300000 0.1965961 0.7695278), wk = 0.0023753 k( 420) = ( 0.2400000 0.2051438 0.7695278), wk = 0.0023753 k( 421) = ( 0.2500000 0.2136915 0.7695278), wk = 0.0023753 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 2) = ( 0.0000000 0.0000000 0.0084746), wk = 0.0023753 k( 3) = ( 0.0000000 0.0000000 0.0169491), wk = 0.0023753 k( 4) = ( 0.0000000 0.0000000 0.0254237), wk = 0.0023753 k( 5) = ( 0.0000000 0.0000000 0.0338983), wk = 0.0023753 k( 6) = ( 0.0000000 0.0000000 0.0423729), wk = 0.0023753 k( 7) = ( 0.0000000 0.0000000 0.0508475), wk = 0.0023753 k( 8) = ( 0.0000000 0.0000000 0.0593220), wk = 0.0023753 k( 9) = ( 0.0000000 0.0000000 0.0677966), wk = 0.0023753 k( 10) = ( 0.0000000 0.0000000 0.0762712), wk = 0.0023753 k( 11) = ( 0.0000000 0.0000000 0.0847458), wk = 0.0023753 k( 12) = ( 0.0000000 0.0000000 0.0932203), wk = 0.0023753 k( 13) = ( 0.0000000 0.0000000 0.1016949), wk = 0.0023753 k( 14) = ( 0.0000000 0.0000000 0.1101695), wk = 0.0023753 k( 15) = ( 0.0000000 0.0000000 0.1186441), wk = 0.0023753 k( 16) = ( 0.0000000 0.0000000 0.1271186), wk = 0.0023753 k( 17) = ( 0.0000000 0.0000000 0.1355932), wk = 0.0023753 k( 18) = ( 0.0000000 0.0000000 0.1440678), wk = 0.0023753 k( 19) = ( 0.0000000 0.0000000 0.1525424), wk = 0.0023753 k( 20) = ( 0.0000000 0.0000000 0.1610169), wk = 0.0023753 k( 21) = ( 0.0000000 0.0000000 0.1694915), wk = 0.0023753 k( 22) = ( 0.0000000 0.0000000 0.1779661), wk = 0.0023753 k( 23) = ( 0.0000000 0.0000000 0.1864407), wk = 0.0023753 k( 24) = ( 0.0000000 0.0000000 0.1949152), wk = 0.0023753 k( 25) = ( 0.0000000 0.0000000 0.2033898), wk = 0.0023753 k( 26) = ( 0.0000000 0.0000000 0.2118644), wk = 0.0023753 k( 27) = ( 0.0000000 0.0000000 0.2203390), wk = 0.0023753 k( 28) = ( 0.0000000 0.0000000 0.2288136), wk = 0.0023753 k( 29) = ( 0.0000000 0.0000000 0.2372881), wk = 0.0023753 k( 30) = ( 0.0000000 0.0000000 0.2457627), wk = 0.0023753 k( 31) = ( 0.0000000 0.0000000 0.2542373), wk = 0.0023753 k( 32) = ( 0.0000000 0.0000000 0.2627119), wk = 0.0023753 k( 33) = ( 0.0000000 0.0000000 0.2711864), wk = 0.0023753 k( 34) = ( 0.0000000 0.0000000 0.2796610), wk = 0.0023753 k( 35) = ( 0.0000000 0.0000000 0.2881356), wk = 0.0023753 k( 36) = ( 0.0000000 0.0000000 0.2966102), wk = 0.0023753 k( 37) = ( 0.0000000 0.0000000 0.3050848), wk = 0.0023753 k( 38) = ( 0.0000000 0.0000000 0.3135593), wk = 0.0023753 k( 39) = ( 0.0000000 0.0000000 0.3220339), wk = 0.0023753 k( 40) = ( 0.0000000 0.0000000 0.3305085), wk = 0.0023753 k( 41) = ( 0.0000000 0.0000000 0.3389831), wk = 0.0023753 k( 42) = ( 0.0000000 0.0000000 0.3474576), wk = 0.0023753 k( 43) = ( 0.0000000 0.0000000 0.3559322), wk = 0.0023753 k( 44) = ( 0.0000000 0.0000000 0.3644068), wk = 0.0023753 k( 45) = ( 0.0000000 0.0000000 0.3728814), wk = 0.0023753 k( 46) = ( 0.0000000 0.0000000 0.3813559), wk = 0.0023753 k( 47) = ( 0.0000000 0.0000000 0.3898305), wk = 0.0023753 k( 48) = ( 0.0000000 0.0000000 0.3983051), wk = 0.0023753 k( 49) = ( 0.0000000 0.0000000 0.4067797), wk = 0.0023753 k( 50) = ( 0.0000000 0.0000000 0.4152542), wk = 0.0023753 k( 51) = ( 0.0000000 0.0000000 0.4237288), wk = 0.0023753 k( 52) = ( 0.0000000 0.0000000 0.4322034), wk = 0.0023753 k( 53) = ( 0.0000000 0.0000000 0.4406780), wk = 0.0023753 k( 54) = ( 0.0000000 0.0000000 0.4491525), wk = 0.0023753 k( 55) = ( 0.0000000 0.0000000 0.4576271), wk = 0.0023753 k( 56) = ( 0.0000000 0.0000000 0.4661017), wk = 0.0023753 k( 57) = ( 0.0000000 0.0000000 0.4745763), wk = 0.0023753 k( 58) = ( 0.0000000 0.0000000 0.4830508), wk = 0.0023753 k( 59) = ( 0.0000000 0.0000000 0.4915254), wk = 0.0023753 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023753 k( 61) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023753 k( 62) = ( -0.0083026 0.0083026 0.5000000), wk = 0.0023753 k( 63) = ( -0.0166051 0.0166051 0.5000000), wk = 0.0023753 k( 64) = ( -0.0249077 0.0249077 0.5000000), wk = 0.0023753 k( 65) = ( -0.0332102 0.0332102 0.5000000), wk = 0.0023753 k( 66) = ( -0.0415128 0.0415128 0.5000000), wk = 0.0023753 k( 67) = ( -0.0498153 0.0498153 0.5000000), wk = 0.0023753 k( 68) = ( -0.0581179 0.0581179 0.5000000), wk = 0.0023753 k( 69) = ( -0.0664204 0.0664204 0.5000000), wk = 0.0023753 k( 70) = ( -0.0747230 0.0747230 0.5000000), wk = 0.0023753 k( 71) = ( -0.0830255 0.0830255 0.5000000), wk = 0.0023753 k( 72) = ( -0.0913281 0.0913281 0.5000000), wk = 0.0023753 k( 73) = ( -0.0996306 0.0996306 0.5000000), wk = 0.0023753 k( 74) = ( -0.1079332 0.1079332 0.5000000), wk = 0.0023753 k( 75) = ( -0.1162357 0.1162357 0.5000000), wk = 0.0023753 k( 76) = ( -0.1245383 0.1245383 0.5000000), wk = 0.0023753 k( 77) = ( -0.1328408 0.1328408 0.5000000), wk = 0.0023753 k( 78) = ( -0.1411434 0.1411434 0.5000000), wk = 0.0023753 k( 79) = ( -0.1494459 0.1494459 0.5000000), wk = 0.0023753 k( 80) = ( -0.1577485 0.1577485 0.5000000), wk = 0.0023753 k( 81) = ( -0.1660510 0.1660510 0.5000000), wk = 0.0023753 k( 82) = ( -0.1743536 0.1743536 0.5000000), wk = 0.0023753 k( 83) = ( -0.1826561 0.1826561 0.5000000), wk = 0.0023753 k( 84) = ( -0.1826561 0.1826561 0.5000000), wk = 0.0023753 k( 85) = ( -0.1885329 0.1885329 0.4941233), wk = 0.0023753 k( 86) = ( -0.1944096 0.1944096 0.4882465), wk = 0.0023753 k( 87) = ( -0.2002864 0.2002864 0.4823698), wk = 0.0023753 k( 88) = ( -0.2061631 0.2061631 0.4764930), wk = 0.0023753 k( 89) = ( -0.2120398 0.2120398 0.4706163), wk = 0.0023753 k( 90) = ( -0.2179166 0.2179166 0.4647396), wk = 0.0023753 k( 91) = ( -0.2237933 0.2237933 0.4588628), wk = 0.0023753 k( 92) = ( -0.2296700 0.2296701 0.4529861), wk = 0.0023753 k( 93) = ( -0.2355468 0.2355468 0.4471094), wk = 0.0023753 k( 94) = ( -0.2414235 0.2414235 0.4412326), wk = 0.0023753 k( 95) = ( -0.2473003 0.2473003 0.4353559), wk = 0.0023753 k( 96) = ( -0.2531770 0.2531770 0.4294791), wk = 0.0023753 k( 97) = ( -0.2590537 0.2590537 0.4236024), wk = 0.0023753 k( 98) = ( -0.2649305 0.2649305 0.4177257), wk = 0.0023753 k( 99) = ( -0.2708072 0.2708072 0.4118489), wk = 0.0023753 k( 100) = ( -0.2766840 0.2766840 0.4059722), wk = 0.0023753 k( 101) = ( -0.2825607 0.2825607 0.4000955), wk = 0.0023753 k( 102) = ( -0.2884374 0.2884374 0.3942187), wk = 0.0023753 k( 103) = ( -0.2943142 0.2943142 0.3883420), wk = 0.0023753 k( 104) = ( -0.3001909 0.3001909 0.3824652), wk = 0.0023753 k( 105) = ( -0.3060677 0.3060677 0.3765885), wk = 0.0023753 k( 106) = ( -0.3119444 0.3119444 0.3707118), wk = 0.0023753 k( 107) = ( -0.3178211 0.3178211 0.3648350), wk = 0.0023753 k( 108) = ( -0.3236979 0.3236979 0.3589583), wk = 0.0023753 k( 109) = ( -0.3295746 0.3295746 0.3530816), wk = 0.0023753 k( 110) = ( -0.3354513 0.3354513 0.3472048), wk = 0.0023753 k( 111) = ( -0.3413281 0.3413281 0.3413281), wk = 0.0023753 k( 112) = ( -0.3413281 0.3413281 0.3413281), wk = 0.0023753 k( 113) = ( -0.3353399 0.3353399 0.3353399), wk = 0.0023753 k( 114) = ( -0.3293516 0.3293516 0.3293517), wk = 0.0023753 k( 115) = ( -0.3233634 0.3233634 0.3233634), wk = 0.0023753 k( 116) = ( -0.3173752 0.3173752 0.3173752), wk = 0.0023753 k( 117) = ( -0.3113870 0.3113870 0.3113870), wk = 0.0023753 k( 118) = ( -0.3053988 0.3053988 0.3053988), wk = 0.0023753 k( 119) = ( -0.2994106 0.2994106 0.2994106), wk = 0.0023753 k( 120) = ( -0.2934224 0.2934224 0.2934224), wk = 0.0023753 k( 121) = ( -0.2874342 0.2874342 0.2874342), wk = 0.0023753 k( 122) = ( -0.2814460 0.2814460 0.2814460), wk = 0.0023753 k( 123) = ( -0.2754577 0.2754577 0.2754577), wk = 0.0023753 k( 124) = ( -0.2694695 0.2694695 0.2694695), wk = 0.0023753 k( 125) = ( -0.2634813 0.2634813 0.2634813), wk = 0.0023753 k( 126) = ( -0.2574931 0.2574931 0.2574931), wk = 0.0023753 k( 127) = ( -0.2515049 0.2515049 0.2515049), wk = 0.0023753 k( 128) = ( -0.2455167 0.2455167 0.2455167), wk = 0.0023753 k( 129) = ( -0.2395285 0.2395285 0.2395285), wk = 0.0023753 k( 130) = ( -0.2335403 0.2335403 0.2335403), wk = 0.0023753 k( 131) = ( -0.2275521 0.2275520 0.2275521), wk = 0.0023753 k( 132) = ( -0.2215638 0.2215638 0.2215638), wk = 0.0023753 k( 133) = ( -0.2155756 0.2155756 0.2155756), wk = 0.0023753 k( 134) = ( -0.2095874 0.2095874 0.2095874), wk = 0.0023753 k( 135) = ( -0.2035992 0.2035992 0.2035992), wk = 0.0023753 k( 136) = ( -0.1976110 0.1976110 0.1976110), wk = 0.0023753 k( 137) = ( -0.1916228 0.1916228 0.1916228), wk = 0.0023753 k( 138) = ( -0.1856346 0.1856346 0.1856346), wk = 0.0023753 k( 139) = ( -0.1796464 0.1796463 0.1796464), wk = 0.0023753 k( 140) = ( -0.1736581 0.1736581 0.1736581), wk = 0.0023753 k( 141) = ( -0.1676699 0.1676699 0.1676699), wk = 0.0023753 k( 142) = ( -0.1616817 0.1616817 0.1616817), wk = 0.0023753 k( 143) = ( -0.1556935 0.1556935 0.1556935), wk = 0.0023753 k( 144) = ( -0.1497053 0.1497053 0.1497053), wk = 0.0023753 k( 145) = ( -0.1437171 0.1437171 0.1437171), wk = 0.0023753 k( 146) = ( -0.1377289 0.1377289 0.1377289), wk = 0.0023753 k( 147) = ( -0.1317407 0.1317407 0.1317407), wk = 0.0023753 k( 148) = ( -0.1257524 0.1257524 0.1257524), wk = 0.0023753 k( 149) = ( -0.1197642 0.1197642 0.1197642), wk = 0.0023753 k( 150) = ( -0.1137760 0.1137760 0.1137760), wk = 0.0023753 k( 151) = ( -0.1077878 0.1077878 0.1077878), wk = 0.0023753 k( 152) = ( -0.1017996 0.1017996 0.1017996), wk = 0.0023753 k( 153) = ( -0.0958114 0.0958114 0.0958114), wk = 0.0023753 k( 154) = ( -0.0898232 0.0898232 0.0898232), wk = 0.0023753 k( 155) = ( -0.0838350 0.0838350 0.0838350), wk = 0.0023753 k( 156) = ( -0.0778468 0.0778467 0.0778468), wk = 0.0023753 k( 157) = ( -0.0718585 0.0718585 0.0718585), wk = 0.0023753 k( 158) = ( -0.0658703 0.0658703 0.0658703), wk = 0.0023753 k( 159) = ( -0.0598821 0.0598821 0.0598821), wk = 0.0023753 k( 160) = ( -0.0538939 0.0538939 0.0538939), wk = 0.0023753 k( 161) = ( -0.0479057 0.0479057 0.0479057), wk = 0.0023753 k( 162) = ( -0.0419175 0.0419175 0.0419175), wk = 0.0023753 k( 163) = ( -0.0359293 0.0359293 0.0359293), wk = 0.0023753 k( 164) = ( -0.0299411 0.0299411 0.0299411), wk = 0.0023753 k( 165) = ( -0.0239529 0.0239528 0.0239529), wk = 0.0023753 k( 166) = ( -0.0179646 0.0179646 0.0179646), wk = 0.0023753 k( 167) = ( -0.0119764 0.0119764 0.0119764), wk = 0.0023753 k( 168) = ( -0.0059882 0.0059882 0.0059882), wk = 0.0023753 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 171) = ( 0.0100000 0.0100000 -0.0100000), wk = 0.0023753 k( 172) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0023753 k( 173) = ( 0.0300000 0.0300000 -0.0300000), wk = 0.0023753 k( 174) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0023753 k( 175) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0023753 k( 176) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0023753 k( 177) = ( 0.0700000 0.0700000 -0.0700000), wk = 0.0023753 k( 178) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0023753 k( 179) = ( 0.0900000 0.0900000 -0.0900000), wk = 0.0023753 k( 180) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0023753 k( 181) = ( 0.1100000 0.1100000 -0.1100000), wk = 0.0023753 k( 182) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0023753 k( 183) = ( 0.1300000 0.1300000 -0.1300000), wk = 0.0023753 k( 184) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0023753 k( 185) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0023753 k( 186) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0023753 k( 187) = ( 0.1700000 0.1700000 -0.1700000), wk = 0.0023753 k( 188) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0023753 k( 189) = ( 0.1900000 0.1900000 -0.1900000), wk = 0.0023753 k( 190) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0023753 k( 191) = ( 0.2100000 0.2100000 -0.2100000), wk = 0.0023753 k( 192) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0023753 k( 193) = ( 0.2300000 0.2300000 -0.2300000), wk = 0.0023753 k( 194) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0023753 k( 195) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0023753 k( 196) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0023753 k( 197) = ( 0.2700000 0.2700000 -0.2700000), wk = 0.0023753 k( 198) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0023753 k( 199) = ( 0.2900000 0.2900000 -0.2900000), wk = 0.0023753 k( 200) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0023753 k( 201) = ( 0.3100000 0.3100000 -0.3100000), wk = 0.0023753 k( 202) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0023753 k( 203) = ( 0.3300000 0.3300000 -0.3300000), wk = 0.0023753 k( 204) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0023753 k( 205) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0023753 k( 206) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0023753 k( 207) = ( 0.3700000 0.3700000 -0.3700000), wk = 0.0023753 k( 208) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0023753 k( 209) = ( 0.3900000 0.3900000 -0.3900000), wk = 0.0023753 k( 210) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0023753 k( 211) = ( 0.4100000 0.4100000 -0.4100000), wk = 0.0023753 k( 212) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0023753 k( 213) = ( 0.4300000 0.4300000 -0.4300000), wk = 0.0023753 k( 214) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0023753 k( 215) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0023753 k( 216) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0023753 k( 217) = ( 0.4700000 0.4700000 -0.4700000), wk = 0.0023753 k( 218) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0023753 k( 219) = ( 0.4900000 0.4900000 -0.4900000), wk = 0.0023753 k( 220) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023753 k( 221) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023753 k( 222) = ( 0.4941233 0.5058767 -0.4941233), wk = 0.0023753 k( 223) = ( 0.4882465 0.5117535 -0.4882465), wk = 0.0023753 k( 224) = ( 0.4823698 0.5176302 -0.4823698), wk = 0.0023753 k( 225) = ( 0.4764930 0.5235070 -0.4764930), wk = 0.0023753 k( 226) = ( 0.4706163 0.5293837 -0.4706163), wk = 0.0023753 k( 227) = ( 0.4647396 0.5352604 -0.4647396), wk = 0.0023753 k( 228) = ( 0.4588628 0.5411372 -0.4588628), wk = 0.0023753 k( 229) = ( 0.4529861 0.5470139 -0.4529861), wk = 0.0023753 k( 230) = ( 0.4471094 0.5528906 -0.4471094), wk = 0.0023753 k( 231) = ( 0.4412326 0.5587674 -0.4412326), wk = 0.0023753 k( 232) = ( 0.4353559 0.5646441 -0.4353559), wk = 0.0023753 k( 233) = ( 0.4294791 0.5705209 -0.4294791), wk = 0.0023753 k( 234) = ( 0.4236024 0.5763976 -0.4236024), wk = 0.0023753 k( 235) = ( 0.4177257 0.5822743 -0.4177257), wk = 0.0023753 k( 236) = ( 0.4118489 0.5881511 -0.4118489), wk = 0.0023753 k( 237) = ( 0.4059722 0.5940278 -0.4059722), wk = 0.0023753 k( 238) = ( 0.4000955 0.5999045 -0.4000954), wk = 0.0023753 k( 239) = ( 0.3942187 0.6057813 -0.3942187), wk = 0.0023753 k( 240) = ( 0.3883420 0.6116580 -0.3883420), wk = 0.0023753 k( 241) = ( 0.3824652 0.6175348 -0.3824652), wk = 0.0023753 k( 242) = ( 0.3765885 0.6234115 -0.3765885), wk = 0.0023753 k( 243) = ( 0.3707118 0.6292882 -0.3707118), wk = 0.0023753 k( 244) = ( 0.3648350 0.6351650 -0.3648350), wk = 0.0023753 k( 245) = ( 0.3589583 0.6410417 -0.3589583), wk = 0.0023753 k( 246) = ( 0.3530816 0.6469185 -0.3530815), wk = 0.0023753 k( 247) = ( 0.3472048 0.6527952 -0.3472048), wk = 0.0023753 k( 248) = ( 0.3413281 0.6586719 -0.3413281), wk = 0.0023753 k( 249) = ( 0.3413281 0.6586719 -0.3413281), wk = 0.0023753 k( 250) = ( 0.3299505 0.6533829 -0.3299505), wk = 0.0023753 k( 251) = ( 0.3185729 0.6480938 -0.3185729), wk = 0.0023753 k( 252) = ( 0.3071953 0.6428047 -0.3071953), wk = 0.0023753 k( 253) = ( 0.2958177 0.6375157 -0.2958177), wk = 0.0023753 k( 254) = ( 0.2844401 0.6322266 -0.2844401), wk = 0.0023753 k( 255) = ( 0.2730625 0.6269375 -0.2730625), wk = 0.0023753 k( 256) = ( 0.2616849 0.6216485 -0.2616849), wk = 0.0023753 k( 257) = ( 0.2503072 0.6163594 -0.2503072), wk = 0.0023753 k( 258) = ( 0.2389296 0.6110703 -0.2389296), wk = 0.0023753 k( 259) = ( 0.2275521 0.6057813 -0.2275520), wk = 0.0023753 k( 260) = ( 0.2161744 0.6004922 -0.2161744), wk = 0.0023753 k( 261) = ( 0.2047968 0.5952032 -0.2047968), wk = 0.0023753 k( 262) = ( 0.1934192 0.5899141 -0.1934192), wk = 0.0023753 k( 263) = ( 0.1820416 0.5846250 -0.1820416), wk = 0.0023753 k( 264) = ( 0.1706640 0.5793360 -0.1706640), wk = 0.0023753 k( 265) = ( 0.1592864 0.5740469 -0.1592864), wk = 0.0023753 k( 266) = ( 0.1479088 0.5687578 -0.1479088), wk = 0.0023753 k( 267) = ( 0.1365312 0.5634688 -0.1365312), wk = 0.0023753 k( 268) = ( 0.1251536 0.5581797 -0.1251536), wk = 0.0023753 k( 269) = ( 0.1137760 0.5528906 -0.1137760), wk = 0.0023753 k( 270) = ( 0.1023984 0.5476016 -0.1023984), wk = 0.0023753 k( 271) = ( 0.0910208 0.5423125 -0.0910208), wk = 0.0023753 k( 272) = ( 0.0796432 0.5370234 -0.0796432), wk = 0.0023753 k( 273) = ( 0.0682656 0.5317344 -0.0682656), wk = 0.0023753 k( 274) = ( 0.0568880 0.5264453 -0.0568880), wk = 0.0023753 k( 275) = ( 0.0455104 0.5211563 -0.0455104), wk = 0.0023753 k( 276) = ( 0.0341328 0.5158672 -0.0341328), wk = 0.0023753 k( 277) = ( 0.0227552 0.5105781 -0.0227552), wk = 0.0023753 k( 278) = ( 0.0113776 0.5052891 -0.0113776), wk = 0.0023753 k( 279) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023753 k( 280) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023753 k( 281) = ( 0.0059524 0.4940476 0.0059524), wk = 0.0023753 k( 282) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0023753 k( 283) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0023753 k( 284) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0023753 k( 285) = ( 0.0297619 0.4702381 0.0297619), wk = 0.0023753 k( 286) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0023753 k( 287) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0023753 k( 288) = ( 0.0476191 0.4523810 0.0476191), wk = 0.0023753 k( 289) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0023753 k( 290) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0023753 k( 291) = ( 0.0654762 0.4345238 0.0654762), wk = 0.0023753 k( 292) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0023753 k( 293) = ( 0.0773810 0.4226190 0.0773810), wk = 0.0023753 k( 294) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0023753 k( 295) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0023753 k( 296) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0023753 k( 297) = ( 0.1011905 0.3988095 0.1011905), wk = 0.0023753 k( 298) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0023753 k( 299) = ( 0.1130952 0.3869048 0.1130952), wk = 0.0023753 k( 300) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0023753 k( 301) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0023753 k( 302) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0023753 k( 303) = ( 0.1369048 0.3630952 0.1369048), wk = 0.0023753 k( 304) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0023753 k( 305) = ( 0.1488095 0.3511905 0.1488095), wk = 0.0023753 k( 306) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0023753 k( 307) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0023753 k( 308) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0023753 k( 309) = ( 0.1726190 0.3273810 0.1726190), wk = 0.0023753 k( 310) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0023753 k( 311) = ( 0.1845238 0.3154762 0.1845238), wk = 0.0023753 k( 312) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0023753 k( 313) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0023753 k( 314) = ( 0.2023810 0.2976190 0.2023810), wk = 0.0023753 k( 315) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0023753 k( 316) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0023753 k( 317) = ( 0.2202381 0.2797619 0.2202381), wk = 0.0023753 k( 318) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0023753 k( 319) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0023753 k( 320) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0023753 k( 321) = ( 0.2440476 0.2559524 0.2440476), wk = 0.0023753 k( 322) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023753 k( 323) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023753 k( 324) = ( 0.2575758 0.2575758 0.2368892), wk = 0.0023753 k( 325) = ( 0.2651515 0.2651515 0.2237784), wk = 0.0023753 k( 326) = ( 0.2727273 0.2727273 0.2106676), wk = 0.0023753 k( 327) = ( 0.2803030 0.2803030 0.1975568), wk = 0.0023753 k( 328) = ( 0.2878788 0.2878788 0.1844460), wk = 0.0023753 k( 329) = ( 0.2954545 0.2954545 0.1713353), wk = 0.0023753 k( 330) = ( 0.3030303 0.3030303 0.1582245), wk = 0.0023753 k( 331) = ( 0.3106061 0.3106061 0.1451137), wk = 0.0023753 k( 332) = ( 0.3181818 0.3181818 0.1320029), wk = 0.0023753 k( 333) = ( 0.3257576 0.3257576 0.1188921), wk = 0.0023753 k( 334) = ( 0.3333333 0.3333333 0.1057813), wk = 0.0023753 k( 335) = ( 0.3409091 0.3409091 0.0926705), wk = 0.0023753 k( 336) = ( 0.3484849 0.3484849 0.0795597), wk = 0.0023753 k( 337) = ( 0.3560606 0.3560606 0.0664489), wk = 0.0023753 k( 338) = ( 0.3636364 0.3636364 0.0533381), wk = 0.0023753 k( 339) = ( 0.3712121 0.3712121 0.0402273), wk = 0.0023753 k( 340) = ( 0.3787879 0.3787879 0.0271165), wk = 0.0023753 k( 341) = ( 0.3863636 0.3863636 0.0140057), wk = 0.0023753 k( 342) = ( 0.3939394 0.3939394 0.0008949), wk = 0.0023753 k( 343) = ( 0.4015151 0.4015151 -0.0122158), wk = 0.0023753 k( 344) = ( 0.4090909 0.4090909 -0.0253266), wk = 0.0023753 k( 345) = ( 0.4166667 0.4166667 -0.0384374), wk = 0.0023753 k( 346) = ( 0.4242424 0.4242424 -0.0515482), wk = 0.0023753 k( 347) = ( 0.4318182 0.4318182 -0.0646590), wk = 0.0023753 k( 348) = ( 0.4393939 0.4393939 -0.0777698), wk = 0.0023753 k( 349) = ( 0.4469697 0.4469697 -0.0908806), wk = 0.0023753 k( 350) = ( 0.4545455 0.4545454 -0.1039914), wk = 0.0023753 k( 351) = ( 0.4621212 0.4621212 -0.1171022), wk = 0.0023753 k( 352) = ( 0.4696970 0.4696970 -0.1302130), wk = 0.0023753 k( 353) = ( 0.4772727 0.4772727 -0.1433238), wk = 0.0023753 k( 354) = ( 0.4848485 0.4848485 -0.1564346), wk = 0.0023753 k( 355) = ( 0.4924242 0.4924242 -0.1695454), wk = 0.0023753 k( 356) = ( 0.5000000 0.5000000 -0.1826561), wk = 0.0023753 k( 357) = ( 0.5000000 0.5000000 -0.1826561), wk = 0.0023753 k( 358) = ( 0.5000000 0.5000000 -0.1910073), wk = 0.0023753 k( 359) = ( 0.5000000 0.5000000 -0.1993585), wk = 0.0023753 k( 360) = ( 0.5000000 0.5000000 -0.2077096), wk = 0.0023753 k( 361) = ( 0.5000000 0.5000000 -0.2160608), wk = 0.0023753 k( 362) = ( 0.5000000 0.5000000 -0.2244119), wk = 0.0023753 k( 363) = ( 0.5000000 0.5000000 -0.2327631), wk = 0.0023753 k( 364) = ( 0.5000000 0.5000000 -0.2411142), wk = 0.0023753 k( 365) = ( 0.5000000 0.5000000 -0.2494654), wk = 0.0023753 k( 366) = ( 0.5000000 0.5000000 -0.2578165), wk = 0.0023753 k( 367) = ( 0.5000000 0.5000000 -0.2661677), wk = 0.0023753 k( 368) = ( 0.5000000 0.5000000 -0.2745188), wk = 0.0023753 k( 369) = ( 0.5000000 0.5000000 -0.2828700), wk = 0.0023753 k( 370) = ( 0.5000000 0.5000000 -0.2912211), wk = 0.0023753 k( 371) = ( 0.5000000 0.5000000 -0.2995723), wk = 0.0023753 k( 372) = ( 0.5000000 0.5000000 -0.3079235), wk = 0.0023753 k( 373) = ( 0.5000000 0.5000000 -0.3162746), wk = 0.0023753 k( 374) = ( 0.5000000 0.5000000 -0.3246258), wk = 0.0023753 k( 375) = ( 0.5000000 0.5000000 -0.3329769), wk = 0.0023753 k( 376) = ( 0.5000000 0.5000000 -0.3413281), wk = 0.0023753 k( 377) = ( 0.5000000 0.5000000 -0.3496792), wk = 0.0023753 k( 378) = ( 0.5000000 0.5000000 -0.3580304), wk = 0.0023753 k( 379) = ( 0.5000000 0.5000000 -0.3663815), wk = 0.0023753 k( 380) = ( 0.5000000 0.5000000 -0.3747327), wk = 0.0023753 k( 381) = ( 0.5000000 0.5000000 -0.3830838), wk = 0.0023753 k( 382) = ( 0.5000000 0.5000000 -0.3914350), wk = 0.0023753 k( 383) = ( 0.5000000 0.5000000 -0.3997861), wk = 0.0023753 k( 384) = ( 0.5000000 0.5000000 -0.4081373), wk = 0.0023753 k( 385) = ( 0.5000000 0.5000000 -0.4164885), wk = 0.0023753 k( 386) = ( 0.5000000 0.5000000 -0.4248396), wk = 0.0023753 k( 387) = ( 0.5000000 0.5000000 -0.4331908), wk = 0.0023753 k( 388) = ( 0.5000000 0.5000000 -0.4415419), wk = 0.0023753 k( 389) = ( 0.5000000 0.5000000 -0.4498931), wk = 0.0023753 k( 390) = ( 0.5000000 0.5000000 -0.4582442), wk = 0.0023753 k( 391) = ( 0.5000000 0.5000000 -0.4665954), wk = 0.0023753 k( 392) = ( 0.5000000 0.5000000 -0.4749465), wk = 0.0023753 k( 393) = ( 0.5000000 0.5000000 -0.4832977), wk = 0.0023753 k( 394) = ( 0.5000000 0.5000000 -0.4916488), wk = 0.0023753 k( 395) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023753 k( 396) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023753 k( 397) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0023753 k( 398) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0023753 k( 399) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0023753 k( 400) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0023753 k( 401) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0023753 k( 402) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0023753 k( 403) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0023753 k( 404) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0023753 k( 405) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0023753 k( 406) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0023753 k( 407) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0023753 k( 408) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0023753 k( 409) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0023753 k( 410) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0023753 k( 411) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0023753 k( 412) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0023753 k( 413) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0023753 k( 414) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0023753 k( 415) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0023753 k( 416) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0023753 k( 417) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0023753 k( 418) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0023753 k( 419) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0023753 k( 420) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0023753 k( 421) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023753 Dense grid: 29865 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 12133 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 96, 28) NL pseudopotentials 0.05 Mb ( 48, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 831) G-vector shells 0.00 Mb ( 382) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 96, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.05 Mb ( 62, 2, 28) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./SrN2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.1 secs Computing kpt #: 16 total cpu time spent up to now is 4.2 secs Computing kpt #: 17 total cpu time spent up to now is 4.4 secs Computing kpt #: 18 total cpu time spent up to now is 4.5 secs Computing kpt #: 19 total cpu time spent up to now is 4.6 secs Computing kpt #: 20 total cpu time spent up to now is 4.8 secs Computing kpt #: 21 total cpu time spent up to now is 4.9 secs Computing kpt #: 22 total cpu time spent up to now is 5.1 secs Computing kpt #: 23 total cpu time spent up to now is 5.2 secs Computing kpt #: 24 total cpu time spent up to now is 5.4 secs Computing kpt #: 25 total cpu time spent up to now is 5.5 secs Computing kpt #: 26 total cpu time spent up to now is 5.7 secs Computing kpt #: 27 total cpu time spent up to now is 5.8 secs Computing kpt #: 28 total cpu time spent up to now is 5.9 secs Computing kpt #: 29 total cpu time spent up to now is 6.0 secs Computing kpt #: 30 total cpu time spent up to now is 6.2 secs Computing kpt #: 31 total cpu time spent up to now is 6.3 secs Computing kpt #: 32 total cpu time spent up to now is 6.4 secs Computing kpt #: 33 total cpu time spent up to now is 6.6 secs Computing kpt #: 34 total cpu time spent up to now is 6.7 secs Computing kpt #: 35 total cpu time spent up to now is 6.8 secs Computing kpt #: 36 total cpu time spent up to now is 6.9 secs Computing kpt #: 37 total cpu time spent up to now is 7.1 secs Computing kpt #: 38 total cpu time spent up to now is 7.2 secs Computing kpt #: 39 total cpu time spent up to now is 7.3 secs Computing kpt #: 40 total cpu time spent up to now is 7.5 secs Computing kpt #: 41 total cpu time spent up to now is 7.6 secs Computing kpt #: 42 total cpu time spent up to now is 7.7 secs Computing kpt #: 43 total cpu time spent up to now is 7.9 secs Computing kpt #: 44 total cpu time spent up to now is 8.0 secs Computing kpt #: 45 total cpu time spent up to now is 8.2 secs Computing kpt #: 46 total cpu time spent up to now is 8.3 secs Computing kpt #: 47 total cpu time spent up to now is 8.5 secs Computing kpt #: 48 total cpu time spent up to now is 8.6 secs Computing kpt #: 49 total cpu time spent up to now is 8.8 secs Computing kpt #: 50 total cpu time spent up to now is 8.9 secs Computing kpt #: 51 total cpu time spent up to now is 9.1 secs Computing kpt #: 52 total cpu time spent up to now is 9.3 secs Computing kpt #: 53 total cpu time spent up to now is 9.4 secs Computing kpt #: 54 total cpu time spent up to now is 9.6 secs Computing kpt #: 55 total cpu time spent up to now is 9.7 secs Computing kpt #: 56 total cpu time spent up to now is 9.9 secs Computing kpt #: 57 total cpu time spent up to now is 10.0 secs Computing kpt #: 58 total cpu time spent up to now is 10.2 secs Computing kpt #: 59 total cpu time spent up to now is 10.4 secs Computing kpt #: 60 total cpu time spent up to now is 10.6 secs Computing kpt #: 61 total cpu time spent up to now is 10.8 secs Computing kpt #: 62 total cpu time spent up to now is 10.9 secs Computing kpt #: 63 total cpu time spent up to now is 11.1 secs Computing kpt #: 64 total cpu time spent up to now is 11.2 secs Computing kpt #: 65 total cpu time spent up to now is 11.4 secs Computing kpt #: 66 total cpu time spent up to now is 11.5 secs Computing kpt #: 67 total cpu time spent up to now is 11.6 secs Computing kpt #: 68 total cpu time spent up to now is 11.8 secs Computing kpt #: 69 total cpu time spent up to now is 11.9 secs Computing kpt #: 70 total cpu time spent up to now is 12.0 secs Computing kpt #: 71 total cpu time spent up to now is 12.2 secs Computing kpt #: 72 total cpu time spent up to now is 12.3 secs Computing kpt #: 73 total cpu time spent up to now is 12.4 secs Computing kpt #: 74 total cpu time spent up to now is 12.5 secs Computing kpt #: 75 total cpu time spent up to now is 12.7 secs Computing kpt #: 76 total cpu time spent up to now is 12.8 secs Computing kpt #: 77 total cpu time spent up to now is 12.9 secs Computing kpt #: 78 total cpu time spent up to now is 13.1 secs Computing kpt #: 79 total cpu time spent up to now is 13.2 secs Computing kpt #: 80 total cpu time spent up to now is 13.3 secs Computing kpt #: 81 total cpu time spent up to now is 13.5 secs Computing kpt #: 82 total cpu time spent up to now is 13.6 secs Computing kpt #: 83 total cpu time spent up to now is 13.7 secs Computing kpt #: 84 total cpu time spent up to now is 13.8 secs Computing kpt #: 85 total cpu time spent up to now is 13.9 secs Computing kpt #: 86 total cpu time spent up to now is 14.1 secs Computing kpt #: 87 total cpu time spent up to now is 14.2 secs Computing kpt #: 88 total cpu time spent up to now is 14.3 secs Computing kpt #: 89 total cpu time spent up to now is 14.4 secs Computing kpt #: 90 total cpu time spent up to now is 14.5 secs Computing kpt #: 91 total cpu time spent up to now is 14.7 secs Computing kpt #: 92 total cpu time spent up to now is 14.8 secs Computing kpt #: 93 total cpu time spent up to now is 14.9 secs Computing kpt #: 94 total cpu time spent up to now is 15.0 secs Computing kpt #: 95 total cpu time spent up to now is 15.1 secs Computing kpt #: 96 total cpu time spent up to now is 15.3 secs Computing kpt #: 97 total cpu time spent up to now is 15.4 secs Computing kpt #: 98 total cpu time spent up to now is 15.5 secs Computing kpt #: 99 total cpu time spent up to now is 15.6 secs Computing kpt #: 100 total cpu time spent up to now is 15.7 secs Computing kpt #: 101 total cpu time spent up to now is 15.9 secs Computing kpt #: 102 total cpu time spent up to now is 16.0 secs Computing kpt #: 103 total cpu time spent up to now is 16.1 secs Computing kpt #: 104 total cpu time spent up to now is 16.2 secs Computing kpt #: 105 total cpu time spent up to now is 16.3 secs Computing kpt #: 106 total cpu time spent up to now is 16.5 secs Computing kpt #: 107 total cpu time spent up to now is 16.6 secs Computing kpt #: 108 total cpu time spent up to now is 16.8 secs Computing kpt #: 109 total cpu time spent up to now is 16.9 secs Computing kpt #: 110 total cpu time spent up to now is 17.1 secs Computing kpt #: 111 total cpu time spent up to now is 17.2 secs Computing kpt #: 112 total cpu time spent up to now is 17.3 secs Computing kpt #: 113 total cpu time spent up to now is 17.5 secs Computing kpt #: 114 total cpu time spent up to now is 17.7 secs Computing kpt #: 115 total cpu time spent up to now is 17.8 secs Computing kpt #: 116 total cpu time spent up to now is 18.0 secs Computing kpt #: 117 total cpu time spent up to now is 18.1 secs Computing kpt #: 118 total cpu time spent up to now is 18.3 secs Computing kpt #: 119 total cpu time spent up to now is 18.4 secs Computing kpt #: 120 total cpu time spent up to now is 18.6 secs Computing kpt #: 121 total cpu time spent up to now is 18.7 secs Computing kpt #: 122 total cpu time spent up to now is 18.8 secs Computing kpt #: 123 total cpu time spent up to now is 18.9 secs Computing kpt #: 124 total cpu time spent up to now is 19.1 secs Computing kpt #: 125 total cpu time spent up to now is 19.2 secs Computing kpt #: 126 total cpu time spent up to now is 19.3 secs Computing kpt #: 127 total cpu time spent up to now is 19.4 secs Computing kpt #: 128 total cpu time spent up to now is 19.6 secs Computing kpt #: 129 total cpu time spent up to now is 19.7 secs Computing kpt #: 130 total cpu time spent up to now is 19.9 secs Computing kpt #: 131 total cpu time spent up to now is 20.0 secs Computing kpt #: 132 total cpu time spent up to now is 20.1 secs Computing kpt #: 133 total cpu time spent up to now is 20.3 secs Computing kpt #: 134 total cpu time spent up to now is 20.4 secs Computing kpt #: 135 total cpu time spent up to now is 20.5 secs Computing kpt #: 136 total cpu time spent up to now is 20.6 secs Computing kpt #: 137 total cpu time spent up to now is 20.7 secs Computing kpt #: 138 total cpu time spent up to now is 20.8 secs Computing kpt #: 139 total cpu time spent up to now is 20.9 secs Computing kpt #: 140 total cpu time spent up to now is 21.0 secs Computing kpt #: 141 total cpu time spent up to now is 21.2 secs Computing kpt #: 142 total cpu time spent up to now is 21.3 secs Computing kpt #: 143 total cpu time spent up to now is 21.4 secs Computing kpt #: 144 total cpu time spent up to now is 21.5 secs Computing kpt #: 145 total cpu time spent up to now is 21.6 secs Computing kpt #: 146 total cpu time spent up to now is 21.8 secs Computing kpt #: 147 total cpu time spent up to now is 21.9 secs Computing kpt #: 148 total cpu time spent up to now is 22.1 secs Computing kpt #: 149 total cpu time spent up to now is 22.2 secs Computing kpt #: 150 total cpu time spent up to now is 22.4 secs Computing kpt #: 151 total cpu time spent up to now is 22.5 secs Computing kpt #: 152 total cpu time spent up to now is 22.6 secs Computing kpt #: 153 total cpu time spent up to now is 22.8 secs Computing kpt #: 154 total cpu time spent up to now is 22.9 secs Computing kpt #: 155 total cpu time spent up to now is 23.0 secs Computing kpt #: 156 total cpu time spent up to now is 23.2 secs Computing kpt #: 157 total cpu time spent up to now is 23.3 secs Computing kpt #: 158 total cpu time spent up to now is 23.4 secs Computing kpt #: 159 total cpu time spent up to now is 23.6 secs Computing kpt #: 160 total cpu time spent up to now is 23.7 secs Computing kpt #: 161 total cpu time spent up to now is 23.8 secs Computing kpt #: 162 total cpu time spent up to now is 23.9 secs Computing kpt #: 163 total cpu time spent up to now is 24.0 secs Computing kpt #: 164 total cpu time spent up to now is 24.2 secs Computing kpt #: 165 total cpu time spent up to now is 24.3 secs Computing kpt #: 166 total cpu time spent up to now is 24.4 secs Computing kpt #: 167 total cpu time spent up to now is 24.5 secs Computing kpt #: 168 total cpu time spent up to now is 24.6 secs Computing kpt #: 169 total cpu time spent up to now is 24.7 secs Computing kpt #: 170 total cpu time spent up to now is 24.9 secs Computing kpt #: 171 total cpu time spent up to now is 25.0 secs Computing kpt #: 172 total cpu time spent up to now is 25.1 secs Computing kpt #: 173 total cpu time spent up to now is 25.2 secs Computing kpt #: 174 total cpu time spent up to now is 25.3 secs Computing kpt #: 175 total cpu time spent up to now is 25.4 secs Computing kpt #: 176 total cpu time spent up to now is 25.5 secs Computing kpt #: 177 total cpu time spent up to now is 25.7 secs Computing kpt #: 178 total cpu time spent up to now is 25.8 secs Computing kpt #: 179 total cpu time spent up to now is 25.9 secs Computing kpt #: 180 total cpu time spent up to now is 26.0 secs Computing kpt #: 181 total cpu time spent up to now is 26.1 secs Computing kpt #: 182 total cpu time spent up to now is 26.2 secs Computing kpt #: 183 total cpu time spent up to now is 26.3 secs Computing kpt #: 184 total cpu time spent up to now is 26.5 secs Computing kpt #: 185 total cpu time spent up to now is 26.6 secs Computing kpt #: 186 total cpu time spent up to now is 26.7 secs Computing kpt #: 187 total cpu time spent up to now is 26.8 secs Computing kpt #: 188 total cpu time spent up to now is 26.9 secs Computing kpt #: 189 total cpu time spent up to now is 27.1 secs Computing kpt #: 190 total cpu time spent up to now is 27.2 secs Computing kpt #: 191 total cpu time spent up to now is 27.3 secs Computing kpt #: 192 total cpu time spent up to now is 27.4 secs Computing kpt #: 193 total cpu time spent up to now is 27.6 secs Computing kpt #: 194 total cpu time spent up to now is 27.7 secs Computing kpt #: 195 total cpu time spent up to now is 27.8 secs Computing kpt #: 196 total cpu time spent up to now is 27.9 secs Computing kpt #: 197 total cpu time spent up to now is 28.0 secs Computing kpt #: 198 total cpu time spent up to now is 28.2 secs Computing kpt #: 199 total cpu time spent up to now is 28.3 secs Computing kpt #: 200 total cpu time spent up to now is 28.4 secs Computing kpt #: 201 total cpu time spent up to now is 28.5 secs Computing kpt #: 202 total cpu time spent up to now is 28.7 secs Computing kpt #: 203 total cpu time spent up to now is 28.8 secs Computing kpt #: 204 total cpu time spent up to now is 28.9 secs Computing kpt #: 205 total cpu time spent up to now is 29.1 secs Computing kpt #: 206 total cpu time spent up to now is 29.2 secs Computing kpt #: 207 total cpu time spent up to now is 29.3 secs Computing kpt #: 208 total cpu time spent up to now is 29.5 secs Computing kpt #: 209 total cpu time spent up to now is 29.6 secs Computing kpt #: 210 total cpu time spent up to now is 29.7 secs Computing kpt #: 211 total cpu time spent up to now is 29.9 secs Computing kpt #: 212 total cpu time spent up to now is 30.0 secs Computing kpt #: 213 total cpu time spent up to now is 30.1 secs Computing kpt #: 214 total cpu time spent up to now is 30.2 secs Computing kpt #: 215 total cpu time spent up to now is 30.4 secs Computing kpt #: 216 total cpu time spent up to now is 30.5 secs Computing kpt #: 217 total cpu time spent up to now is 30.6 secs Computing kpt #: 218 total cpu time spent up to now is 30.8 secs Computing kpt #: 219 total cpu time spent up to now is 30.9 secs Computing kpt #: 220 total cpu time spent up to now is 31.0 secs Computing kpt #: 221 total cpu time spent up to now is 31.2 secs Computing kpt #: 222 total cpu time spent up to now is 31.3 secs Computing kpt #: 223 total cpu time spent up to now is 31.5 secs Computing kpt #: 224 total cpu time spent up to now is 31.6 secs Computing kpt #: 225 total cpu time spent up to now is 31.7 secs Computing kpt #: 226 total cpu time spent up to now is 31.9 secs Computing kpt #: 227 total cpu time spent up to now is 32.1 secs Computing kpt #: 228 total cpu time spent up to now is 32.3 secs Computing kpt #: 229 total cpu time spent up to now is 32.5 secs Computing kpt #: 230 total cpu time spent up to now is 32.6 secs Computing kpt #: 231 total cpu time spent up to now is 32.8 secs Computing kpt #: 232 total cpu time spent up to now is 32.9 secs Computing kpt #: 233 total cpu time spent up to now is 33.1 secs Computing kpt #: 234 total cpu time spent up to now is 33.2 secs Computing kpt #: 235 total cpu time spent up to now is 33.3 secs Computing kpt #: 236 total cpu time spent up to now is 33.4 secs Computing kpt #: 237 total cpu time spent up to now is 33.5 secs Computing kpt #: 238 total cpu time spent up to now is 33.6 secs Computing kpt #: 239 total cpu time spent up to now is 33.8 secs Computing kpt #: 240 total cpu time spent up to now is 33.9 secs Computing kpt #: 241 total cpu time spent up to now is 34.0 secs Computing kpt #: 242 total cpu time spent up to now is 34.1 secs Computing kpt #: 243 total cpu time spent up to now is 34.2 secs Computing kpt #: 244 total cpu time spent up to now is 34.3 secs Computing kpt #: 245 total cpu time spent up to now is 34.4 secs Computing kpt #: 246 total cpu time spent up to now is 34.5 secs Computing kpt #: 247 total cpu time spent up to now is 34.6 secs Computing kpt #: 248 total cpu time spent up to now is 34.8 secs Computing kpt #: 249 total cpu time spent up to now is 34.9 secs Computing kpt #: 250 total cpu time spent up to now is 35.0 secs Computing kpt #: 251 total cpu time spent up to now is 35.2 secs Computing kpt #: 252 total cpu time spent up to now is 35.4 secs Computing kpt #: 253 total cpu time spent up to now is 35.5 secs Computing kpt #: 254 total cpu time spent up to now is 35.7 secs Computing kpt #: 255 total cpu time spent up to now is 35.9 secs Computing kpt #: 256 total cpu time spent up to now is 36.0 secs Computing kpt #: 257 total cpu time spent up to now is 36.2 secs Computing kpt #: 258 total cpu time spent up to now is 36.3 secs Computing kpt #: 259 total cpu time spent up to now is 36.5 secs Computing kpt #: 260 total cpu time spent up to now is 36.7 secs Computing kpt #: 261 total cpu time spent up to now is 36.8 secs Computing kpt #: 262 total cpu time spent up to now is 37.0 secs Computing kpt #: 263 total cpu time spent up to now is 37.1 secs Computing kpt #: 264 total cpu time spent up to now is 37.2 secs Computing kpt #: 265 total cpu time spent up to now is 37.4 secs Computing kpt #: 266 total cpu time spent up to now is 37.5 secs Computing kpt #: 267 total cpu time spent up to now is 37.7 secs Computing kpt #: 268 total cpu time spent up to now is 37.8 secs Computing kpt #: 269 total cpu time spent up to now is 37.9 secs Computing kpt #: 270 total cpu time spent up to now is 38.1 secs Computing kpt #: 271 total cpu time spent up to now is 38.2 secs Computing kpt #: 272 total cpu time spent up to now is 38.3 secs Computing kpt #: 273 total cpu time spent up to now is 38.5 secs Computing kpt #: 274 total cpu time spent up to now is 38.6 secs Computing kpt #: 275 total cpu time spent up to now is 38.7 secs Computing kpt #: 276 total cpu time spent up to now is 38.9 secs Computing kpt #: 277 total cpu time spent up to now is 39.0 secs Computing kpt #: 278 total cpu time spent up to now is 39.1 secs Computing kpt #: 279 total cpu time spent up to now is 39.2 secs Computing kpt #: 280 total cpu time spent up to now is 39.4 secs Computing kpt #: 281 total cpu time spent up to now is 39.5 secs Computing kpt #: 282 total cpu time spent up to now is 39.6 secs Computing kpt #: 283 total cpu time spent up to now is 39.8 secs Computing kpt #: 284 total cpu time spent up to now is 39.9 secs Computing kpt #: 285 total cpu time spent up to now is 40.0 secs Computing kpt #: 286 total cpu time spent up to now is 40.2 secs Computing kpt #: 287 total cpu time spent up to now is 40.3 secs Computing kpt #: 288 total cpu time spent up to now is 40.4 secs Computing kpt #: 289 total cpu time spent up to now is 40.6 secs Computing kpt #: 290 total cpu time spent up to now is 40.7 secs Computing kpt #: 291 total cpu time spent up to now is 40.8 secs Computing kpt #: 292 total cpu time spent up to now is 40.9 secs Computing kpt #: 293 total cpu time spent up to now is 41.1 secs Computing kpt #: 294 total cpu time spent up to now is 41.2 secs Computing kpt #: 295 total cpu time spent up to now is 41.3 secs Computing kpt #: 296 total cpu time spent up to now is 41.5 secs Computing kpt #: 297 total cpu time spent up to now is 41.6 secs Computing kpt #: 298 total cpu time spent up to now is 41.7 secs Computing kpt #: 299 total cpu time spent up to now is 41.9 secs Computing kpt #: 300 total cpu time spent up to now is 42.0 secs Computing kpt #: 301 total cpu time spent up to now is 42.1 secs Computing kpt #: 302 total cpu time spent up to now is 42.3 secs Computing kpt #: 303 total cpu time spent up to now is 42.4 secs Computing kpt #: 304 total cpu time spent up to now is 42.5 secs Computing kpt #: 305 total cpu time spent up to now is 42.7 secs Computing kpt #: 306 total cpu time spent up to now is 42.8 secs Computing kpt #: 307 total cpu time spent up to now is 43.0 secs Computing kpt #: 308 total cpu time spent up to now is 43.1 secs Computing kpt #: 309 total cpu time spent up to now is 43.2 secs Computing kpt #: 310 total cpu time spent up to now is 43.3 secs Computing kpt #: 311 total cpu time spent up to now is 43.5 secs Computing kpt #: 312 total cpu time spent up to now is 43.6 secs Computing kpt #: 313 total cpu time spent up to now is 43.7 secs Computing kpt #: 314 total cpu time spent up to now is 43.9 secs Computing kpt #: 315 total cpu time spent up to now is 44.0 secs Computing kpt #: 316 total cpu time spent up to now is 44.1 secs Computing kpt #: 317 total cpu time spent up to now is 44.2 secs Computing kpt #: 318 total cpu time spent up to now is 44.4 secs Computing kpt #: 319 total cpu time spent up to now is 44.5 secs Computing kpt #: 320 total cpu time spent up to now is 44.6 secs Computing kpt #: 321 total cpu time spent up to now is 44.7 secs Computing kpt #: 322 total cpu time spent up to now is 44.9 secs Computing kpt #: 323 total cpu time spent up to now is 45.0 secs Computing kpt #: 324 total cpu time spent up to now is 45.1 secs Computing kpt #: 325 total cpu time spent up to now is 45.2 secs Computing kpt #: 326 total cpu time spent up to now is 45.4 secs Computing kpt #: 327 total cpu time spent up to now is 45.5 secs Computing kpt #: 328 total cpu time spent up to now is 45.6 secs Computing kpt #: 329 total cpu time spent up to now is 45.8 secs Computing kpt #: 330 total cpu time spent up to now is 45.9 secs Computing kpt #: 331 total cpu time spent up to now is 46.0 secs Computing kpt #: 332 total cpu time spent up to now is 46.1 secs Computing kpt #: 333 total cpu time spent up to now is 46.3 secs Computing kpt #: 334 total cpu time spent up to now is 46.4 secs Computing kpt #: 335 total cpu time spent up to now is 46.5 secs Computing kpt #: 336 total cpu time spent up to now is 46.6 secs Computing kpt #: 337 total cpu time spent up to now is 46.8 secs Computing kpt #: 338 total cpu time spent up to now is 46.9 secs Computing kpt #: 339 total cpu time spent up to now is 47.0 secs Computing kpt #: 340 total cpu time spent up to now is 47.2 secs Computing kpt #: 341 total cpu time spent up to now is 47.3 secs Computing kpt #: 342 total cpu time spent up to now is 47.4 secs Computing kpt #: 343 total cpu time spent up to now is 47.5 secs Computing kpt #: 344 total cpu time spent up to now is 47.7 secs Computing kpt #: 345 total cpu time spent up to now is 47.8 secs Computing kpt #: 346 total cpu time spent up to now is 47.9 secs Computing kpt #: 347 total cpu time spent up to now is 48.0 secs Computing kpt #: 348 total cpu time spent up to now is 48.2 secs Computing kpt #: 349 total cpu time spent up to now is 48.3 secs Computing kpt #: 350 total cpu time spent up to now is 48.4 secs Computing kpt #: 351 total cpu time spent up to now is 48.5 secs Computing kpt #: 352 total cpu time spent up to now is 48.7 secs Computing kpt #: 353 total cpu time spent up to now is 48.8 secs Computing kpt #: 354 total cpu time spent up to now is 48.9 secs Computing kpt #: 355 total cpu time spent up to now is 49.0 secs Computing kpt #: 356 total cpu time spent up to now is 49.2 secs Computing kpt #: 357 total cpu time spent up to now is 49.3 secs Computing kpt #: 358 total cpu time spent up to now is 49.4 secs Computing kpt #: 359 total cpu time spent up to now is 49.5 secs Computing kpt #: 360 total cpu time spent up to now is 49.7 secs Computing kpt #: 361 total cpu time spent up to now is 49.8 secs Computing kpt #: 362 total cpu time spent up to now is 49.9 secs Computing kpt #: 363 total cpu time spent up to now is 50.0 secs Computing kpt #: 364 total cpu time spent up to now is 50.1 secs Computing kpt #: 365 total cpu time spent up to now is 50.2 secs Computing kpt #: 366 total cpu time spent up to now is 50.4 secs Computing kpt #: 367 total cpu time spent up to now is 50.5 secs Computing kpt #: 368 total cpu time spent up to now is 50.6 secs Computing kpt #: 369 total cpu time spent up to now is 50.7 secs Computing kpt #: 370 total cpu time spent up to now is 50.8 secs Computing kpt #: 371 total cpu time spent up to now is 50.9 secs Computing kpt #: 372 total cpu time spent up to now is 51.0 secs Computing kpt #: 373 total cpu time spent up to now is 51.1 secs Computing kpt #: 374 total cpu time spent up to now is 51.3 secs Computing kpt #: 375 total cpu time spent up to now is 51.4 secs Computing kpt #: 376 total cpu time spent up to now is 51.5 secs Computing kpt #: 377 total cpu time spent up to now is 51.6 secs Computing kpt #: 378 total cpu time spent up to now is 51.7 secs Computing kpt #: 379 total cpu time spent up to now is 51.8 secs Computing kpt #: 380 total cpu time spent up to now is 51.9 secs Computing kpt #: 381 total cpu time spent up to now is 52.0 secs Computing kpt #: 382 total cpu time spent up to now is 52.2 secs Computing kpt #: 383 total cpu time spent up to now is 52.3 secs Computing kpt #: 384 total cpu time spent up to now is 52.4 secs Computing kpt #: 385 total cpu time spent up to now is 52.6 secs Computing kpt #: 386 total cpu time spent up to now is 52.8 secs Computing kpt #: 387 total cpu time spent up to now is 53.0 secs Computing kpt #: 388 total cpu time spent up to now is 53.1 secs Computing kpt #: 389 total cpu time spent up to now is 53.3 secs Computing kpt #: 390 total cpu time spent up to now is 53.5 secs Computing kpt #: 391 total cpu time spent up to now is 53.6 secs Computing kpt #: 392 total cpu time spent up to now is 53.8 secs Computing kpt #: 393 total cpu time spent up to now is 53.9 secs Computing kpt #: 394 total cpu time spent up to now is 54.0 secs Computing kpt #: 395 total cpu time spent up to now is 54.2 secs Computing kpt #: 396 total cpu time spent up to now is 54.4 secs Computing kpt #: 397 total cpu time spent up to now is 54.5 secs Computing kpt #: 398 total cpu time spent up to now is 54.7 secs Computing kpt #: 399 total cpu time spent up to now is 54.8 secs Computing kpt #: 400 total cpu time spent up to now is 54.9 secs Computing kpt #: 401 total cpu time spent up to now is 55.1 secs Computing kpt #: 402 total cpu time spent up to now is 55.2 secs Computing kpt #: 403 total cpu time spent up to now is 55.3 secs Computing kpt #: 404 total cpu time spent up to now is 55.4 secs Computing kpt #: 405 total cpu time spent up to now is 55.5 secs Computing kpt #: 406 total cpu time spent up to now is 55.7 secs Computing kpt #: 407 total cpu time spent up to now is 55.8 secs Computing kpt #: 408 total cpu time spent up to now is 55.9 secs Computing kpt #: 409 total cpu time spent up to now is 56.0 secs Computing kpt #: 410 total cpu time spent up to now is 56.2 secs Computing kpt #: 411 total cpu time spent up to now is 56.3 secs Computing kpt #: 412 total cpu time spent up to now is 56.4 secs Computing kpt #: 413 total cpu time spent up to now is 56.6 secs Computing kpt #: 414 total cpu time spent up to now is 56.7 secs Computing kpt #: 415 total cpu time spent up to now is 56.8 secs Computing kpt #: 416 total cpu time spent up to now is 56.9 secs Computing kpt #: 417 total cpu time spent up to now is 57.1 secs Computing kpt #: 418 total cpu time spent up to now is 57.2 secs Computing kpt #: 419 total cpu time spent up to now is 57.3 secs Computing kpt #: 420 total cpu time spent up to now is 57.5 secs Computing kpt #: 421 total cpu time spent up to now is 57.6 secs ethr = 5.00E-08, avg # of iterations = 19.2 total cpu time spent up to now is 57.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1533 PWs) bands (ev): -25.5807 -25.5807 -12.3386 -12.3386 -8.3053 -8.3053 -7.2137 -7.2137 -7.0968 -7.0968 -0.2684 -0.2684 2.1911 2.1911 3.4348 3.4348 3.4704 3.4704 8.8014 8.8014 8.8143 8.8143 11.8945 11.8945 12.2141 12.2141 14.5406 14.5406 k = 0.0000 0.0000 0.0130 ( 1533 PWs) bands (ev): -25.5806 -25.5806 -12.3389 -12.3389 -8.3052 -8.3052 -7.2135 -7.2135 -7.0969 -7.0969 -0.2687 -0.2687 2.1912 2.1912 3.4338 3.4338 3.4693 3.4693 8.8016 8.8016 8.8148 8.8148 11.8973 11.8973 12.2175 12.2175 14.5434 14.5434 k = 0.0000 0.0000 0.0261 ( 1533 PWs) bands (ev): -25.5804 -25.5804 -12.3397 -12.3397 -8.3050 -8.3050 -7.2132 -7.2132 -7.0972 -7.0972 -0.2693 -0.2693 2.1914 2.1914 3.4303 3.4303 3.4665 3.4665 8.7996 8.7996 8.8188 8.8188 11.9058 11.9058 12.2277 12.2277 14.5519 14.5519 k = 0.0000 0.0000 0.0391 ( 1535 PWs) bands (ev): -25.5801 -25.5801 -12.3412 -12.3412 -8.3047 -8.3047 -7.2127 -7.2127 -7.0976 -7.0976 -0.2704 -0.2704 2.1917 2.1917 3.4238 3.4238 3.4625 3.4625 8.7931 8.7931 8.8285 8.8285 11.9199 11.9199 12.2445 12.2445 14.5661 14.5661 k = 0.0000 0.0000 0.0522 ( 1535 PWs) bands (ev): -25.5797 -25.5797 -12.3432 -12.3432 -8.3042 -8.3042 -7.2120 -7.2120 -7.0981 -7.0981 -0.2720 -0.2720 2.1920 2.1920 3.4139 3.4139 3.4583 3.4583 8.7829 8.7829 8.8432 8.8432 11.9395 11.9395 12.2678 12.2678 14.5859 14.5859 k = 0.0000 0.0000 0.0652 ( 1539 PWs) bands (ev): -25.5792 -25.5792 -12.3457 -12.3457 -8.3037 -8.3037 -7.2113 -7.2113 -7.0987 -7.0987 -0.2740 -0.2740 2.1924 2.1924 3.4000 3.4000 3.4543 3.4543 8.7694 8.7694 8.8625 8.8625 11.9648 11.9648 12.2972 12.2972 14.6115 14.6115 k = 0.0000 0.0000 0.0783 ( 1537 PWs) bands (ev): -25.5785 -25.5785 -12.3487 -12.3487 -8.3031 -8.3031 -7.2104 -7.2104 -7.0995 -7.0995 -0.2763 -0.2763 2.1929 2.1929 3.3826 3.3826 3.4506 3.4506 8.7530 8.7530 8.8861 8.8861 11.9955 11.9955 12.3323 12.3323 14.6428 14.6428 k = 0.0000 0.0000 0.0913 ( 1541 PWs) bands (ev): -25.5778 -25.5778 -12.3521 -12.3521 -8.3025 -8.3025 -7.2096 -7.2096 -7.1003 -7.1003 -0.2790 -0.2790 2.1933 2.1933 3.3621 3.3621 3.4471 3.4471 8.7336 8.7336 8.9139 8.9139 12.0317 12.0317 12.3727 12.3727 14.6798 14.6798 k = 0.0000 0.0000 0.1043 ( 1537 PWs) bands (ev): -25.5769 -25.5769 -12.3560 -12.3560 -8.3019 -8.3019 -7.2088 -7.2088 -7.1011 -7.1011 -0.2821 -0.2821 2.1937 2.1937 3.3392 3.3392 3.4436 3.4436 8.7117 8.7117 8.9457 8.9457 12.0732 12.0732 12.4179 12.4179 14.7224 14.7224 k = 0.0000 0.0000 0.1174 ( 1541 PWs) bands (ev): -25.5759 -25.5759 -12.3602 -12.3602 -8.3013 -8.3013 -7.2083 -7.2083 -7.1020 -7.1020 -0.2855 -0.2855 2.1938 2.1938 3.3142 3.3142 3.4402 3.4402 8.6872 8.6872 8.9814 8.9814 12.1201 12.1201 12.4674 12.4674 14.7707 14.7707 k = 0.0000 0.0000 0.1304 ( 1541 PWs) bands (ev): -25.5749 -25.5749 -12.3647 -12.3647 -8.3009 -8.3009 -7.2080 -7.2080 -7.1028 -7.1028 -0.2891 -0.2891 2.1939 2.1939 3.2879 3.2879 3.4366 3.4366 8.6602 8.6602 9.0209 9.0209 12.1722 12.1722 12.5206 12.5206 14.8246 14.8246 k = 0.0000 0.0000 0.1435 ( 1539 PWs) bands (ev): -25.5737 -25.5737 -12.3696 -12.3696 -8.3007 -8.3007 -7.2080 -7.2080 -7.1036 -7.1036 -0.2930 -0.2930 2.1938 2.1938 3.2607 3.2607 3.4330 3.4330 8.6309 8.6309 9.0639 9.0639 12.2294 12.2294 12.5771 12.5771 14.8839 14.8839 k = 0.0000 0.0000 0.1565 ( 1539 PWs) bands (ev): -25.5724 -25.5724 -12.3745 -12.3745 -8.3006 -8.3006 -7.2085 -7.2085 -7.1044 -7.1044 -0.2971 -0.2971 2.1934 2.1934 3.2331 3.2331 3.4292 3.4292 8.5995 8.5995 9.1105 9.1105 12.2917 12.2917 12.6363 12.6363 14.9483 14.9483 k = 0.0000 0.0000 0.1696 ( 1539 PWs) bands (ev): -25.5710 -25.5710 -12.3797 -12.3797 -8.3008 -8.3008 -7.2094 -7.2094 -7.1051 -7.1051 -0.3013 -0.3013 2.1927 2.1927 3.2056 3.2056 3.4254 3.4254 8.5662 8.5662 9.1603 9.1603 12.3589 12.3589 12.6976 12.6976 15.0177 15.0177 k = 0.0000 0.0000 0.1826 ( 1535 PWs) bands (ev): -25.5696 -25.5696 -12.3849 -12.3849 -8.3013 -8.3013 -7.2109 -7.2109 -7.1058 -7.1058 -0.3057 -0.3057 2.1917 2.1917 3.1787 3.1787 3.4216 3.4216 8.5311 8.5311 9.2133 9.2133 12.4309 12.4309 12.7607 12.7607 15.0917 15.0917 k = 0.0000 0.0000 0.1956 ( 1535 PWs) bands (ev): -25.5680 -25.5680 -12.3901 -12.3901 -8.3021 -8.3021 -7.2130 -7.2130 -7.1066 -7.1066 -0.3101 -0.3101 2.1904 2.1904 3.1528 3.1528 3.4177 3.4177 8.4943 8.4943 9.2690 9.2690 12.5075 12.5075 12.8251 12.8251 15.1699 15.1699 k = 0.0000 0.0000 0.2087 ( 1531 PWs) bands (ev): -25.5664 -25.5664 -12.3953 -12.3953 -8.3033 -8.3033 -7.2158 -7.2158 -7.1076 -7.1076 -0.3146 -0.3146 2.1888 2.1888 3.1283 3.1283 3.4138 3.4138 8.4562 8.4562 9.3274 9.3274 12.5887 12.5887 12.8905 12.8905 15.2516 15.2516 k = 0.0000 0.0000 0.2217 ( 1529 PWs) bands (ev): -25.5647 -25.5647 -12.4004 -12.4004 -8.3049 -8.3049 -7.2191 -7.2191 -7.1087 -7.1087 -0.3191 -0.3191 2.1871 2.1871 3.1056 3.1056 3.4100 3.4100 8.4167 8.4167 9.3882 9.3882 12.6743 12.6743 12.9565 12.9565 15.3362 15.3362 k = 0.0000 0.0000 0.2348 ( 1529 PWs) bands (ev): -25.5630 -25.5630 -12.4053 -12.4053 -8.3069 -8.3069 -7.2230 -7.2230 -7.1102 -7.1102 -0.3235 -0.3235 2.1851 2.1851 3.0849 3.0849 3.4063 3.4063 8.3760 8.3760 9.4511 9.4511 12.7642 12.7642 13.0228 13.0228 15.4230 15.4230 k = 0.0000 0.0000 0.2478 ( 1529 PWs) bands (ev): -25.5611 -25.5611 -12.4100 -12.4100 -8.3094 -8.3094 -7.2276 -7.2276 -7.1120 -7.1120 -0.3279 -0.3279 2.1832 2.1832 3.0664 3.0664 3.4026 3.4026 8.3343 8.3343 9.5157 9.5157 12.8582 12.8582 13.0894 13.0894 15.5110 15.5110 k = 0.0000 0.0000 0.2609 ( 1533 PWs) bands (ev): -25.5593 -25.5593 -12.4145 -12.4145 -8.3124 -8.3124 -7.2327 -7.2327 -7.1144 -7.1144 -0.3321 -0.3321 2.1813 2.1813 3.0502 3.0502 3.3990 3.3990 8.2919 8.2919 9.5819 9.5819 12.9562 12.9562 13.1559 13.1559 15.5993 15.5993 k = 0.0000 0.0000 0.2739 ( 1537 PWs) bands (ev): -25.5573 -25.5573 -12.4186 -12.4186 -8.3158 -8.3158 -7.2383 -7.2383 -7.1174 -7.1174 -0.3362 -0.3362 2.1799 2.1799 3.0365 3.0365 3.3956 3.3956 8.2488 8.2488 9.6493 9.6493 13.0579 13.0579 13.2223 13.2223 15.6865 15.6865 k = 0.0000 0.0000 0.2869 ( 1533 PWs) bands (ev): -25.5554 -25.5554 -12.4223 -12.4223 -8.3198 -8.3198 -7.2445 -7.2445 -7.1211 -7.1211 -0.3401 -0.3401 2.1790 2.1790 3.0254 3.0254 3.3924 3.3924 8.2052 8.2052 9.7176 9.7176 13.1633 13.1633 13.2885 13.2885 15.7705 15.7706 k = 0.0000 0.0000 0.3000 ( 1525 PWs) bands (ev): -25.5533 -25.5533 -12.4256 -12.4256 -8.3243 -8.3243 -7.2511 -7.2511 -7.1256 -7.1256 -0.3438 -0.3438 2.1790 2.1790 3.0168 3.0168 3.3894 3.3894 8.1613 8.1613 9.7865 9.7865 13.2721 13.2721 13.3545 13.3545 15.7630 15.7630 k = 0.0000 0.0000 0.3130 ( 1525 PWs) bands (ev): -25.5513 -25.5513 -12.4284 -12.4284 -8.3293 -8.3293 -7.2583 -7.2583 -7.1309 -7.1309 -0.3473 -0.3473 2.1800 2.1800 3.0105 3.0105 3.3866 3.3866 8.1171 8.1171 9.8554 9.8554 13.3841 13.3841 13.4203 13.4203 15.7049 15.7049 k = 0.0000 0.0000 0.3261 ( 1517 PWs) bands (ev): -25.5492 -25.5492 -12.4307 -12.4307 -8.3348 -8.3348 -7.2659 -7.2659 -7.1371 -7.1371 -0.3505 -0.3505 2.1824 2.1824 3.0065 3.0065 3.3841 3.3841 8.0729 8.0729 9.9242 9.9242 13.4844 13.4844 13.5004 13.5004 15.6498 15.6498 k = 0.0000 0.0000 0.3391 ( 1517 PWs) bands (ev): -25.5471 -25.5471 -12.4326 -12.4326 -8.3409 -8.3409 -7.2740 -7.2740 -7.1442 -7.1442 -0.3535 -0.3535 2.1864 2.1864 3.0046 3.0046 3.3817 3.3817 8.0287 8.0287 9.9923 9.9923 13.5500 13.5500 13.6180 13.6180 15.5985 15.5985 k = 0.0000 0.0000 0.3522 ( 1517 PWs) bands (ev): -25.5450 -25.5450 -12.4338 -12.4338 -8.3475 -8.3475 -7.2826 -7.2826 -7.1521 -7.1521 -0.3562 -0.3562 2.1921 2.1921 3.0046 3.0046 3.3797 3.3797 7.9847 7.9847 10.0593 10.0593 13.6146 13.6146 13.7387 13.7387 15.5517 15.5517 k = 0.0000 0.0000 0.3652 ( 1509 PWs) bands (ev): -25.5429 -25.5429 -12.4345 -12.4345 -8.3546 -8.3546 -7.2917 -7.2917 -7.1608 -7.1608 -0.3585 -0.3585 2.1999 2.1999 3.0065 3.0065 3.3779 3.3779 7.9410 7.9410 10.1249 10.1249 13.6788 13.6788 13.8620 13.8620 15.5096 15.5096 k = 0.0000 0.0000 0.3782 ( 1513 PWs) bands (ev): -25.5408 -25.5408 -12.4346 -12.4346 -8.3622 -8.3622 -7.3014 -7.3014 -7.1703 -7.1703 -0.3606 -0.3606 2.2097 2.2097 3.0099 3.0099 3.3763 3.3763 7.8976 7.8976 10.1886 10.1886 13.7426 13.7426 13.9876 13.9876 15.4729 15.4729 k = 0.0000 0.0000 0.3913 ( 1507 PWs) bands (ev): -25.5387 -25.5387 -12.4341 -12.4341 -8.3704 -8.3704 -7.3116 -7.3116 -7.1805 -7.1805 -0.3623 -0.3623 2.2219 2.2219 3.0147 3.0147 3.3751 3.3751 7.8548 7.8548 10.2501 10.2501 13.8059 13.8059 14.1152 14.1152 15.4420 15.4420 k = 0.0000 0.0000 0.4043 ( 1507 PWs) bands (ev): -25.5366 -25.5366 -12.4330 -12.4330 -8.3790 -8.3790 -7.3224 -7.3224 -7.1912 -7.1912 -0.3638 -0.3638 2.2364 2.2364 3.0208 3.0208 3.3741 3.3741 7.8127 7.8127 10.3090 10.3090 13.8687 13.8687 14.2447 14.2447 15.4171 15.4171 k = 0.0000 0.0000 0.4174 ( 1503 PWs) bands (ev): -25.5345 -25.5345 -12.4313 -12.4313 -8.3881 -8.3881 -7.3339 -7.3339 -7.2023 -7.2023 -0.3649 -0.3649 2.2533 2.2533 3.0280 3.0280 3.3734 3.3734 7.7713 7.7713 10.3649 10.3649 13.9310 13.9310 14.3757 14.3757 15.3986 15.3986 k = 0.0000 0.0000 0.4304 ( 1501 PWs) bands (ev): -25.5324 -25.5324 -12.4290 -12.4290 -8.3976 -8.3976 -7.3460 -7.3460 -7.2136 -7.2136 -0.3657 -0.3657 2.2727 2.2727 3.0361 3.0361 3.3730 3.3730 7.7307 7.7307 10.4175 10.4175 13.9927 13.9927 14.5080 14.5080 15.3868 15.3868 k = 0.0000 0.0000 0.4435 ( 1499 PWs) bands (ev): -25.5304 -25.5304 -12.4261 -12.4261 -8.4076 -8.4076 -7.3590 -7.3590 -7.2251 -7.2251 -0.3662 -0.3662 2.2944 2.2944 3.0449 3.0449 3.3728 3.3728 7.6910 7.6910 10.4665 10.4665 14.0536 14.0536 14.6413 14.6413 15.3819 15.3819 k = 0.0000 0.0000 0.4565 ( 1499 PWs) bands (ev): -25.5284 -25.5284 -12.4227 -12.4227 -8.4180 -8.4180 -7.3726 -7.3726 -7.2364 -7.2364 -0.3664 -0.3664 2.3184 2.3184 3.0544 3.0544 3.3728 3.3728 7.6522 7.6522 10.5118 10.5118 14.1136 14.1136 14.7753 14.7753 15.3839 15.3839 k = 0.0000 0.0000 0.4695 ( 1501 PWs) bands (ev): -25.5264 -25.5264 -12.4188 -12.4188 -8.4288 -8.4288 -7.3871 -7.3871 -7.2476 -7.2476 -0.3664 -0.3664 2.3445 2.3445 3.0643 3.0643 3.3731 3.3731 7.6146 7.6146 10.5530 10.5530 14.1727 14.1727 14.9097 14.9097 15.3931 15.3931 k = 0.0000 0.0000 0.4826 ( 1505 PWs) bands (ev): -25.5245 -25.5245 -12.4143 -12.4143 -8.4400 -8.4400 -7.4022 -7.4022 -7.2585 -7.2585 -0.3661 -0.3661 2.3727 2.3727 3.0745 3.0745 3.3736 3.3736 7.5780 7.5780 10.5900 10.5900 14.2306 14.2306 15.0441 15.0441 15.4093 15.4093 k = 0.0000 0.0000 0.4956 ( 1509 PWs) bands (ev): -25.5226 -25.5226 -12.4094 -12.4094 -8.4514 -8.4514 -7.4180 -7.4180 -7.2689 -7.2689 -0.3656 -0.3656 2.4027 2.4027 3.0850 3.0850 3.3743 3.3743 7.5427 7.5427 10.6231 10.6231 14.2871 14.2871 15.1781 15.1781 15.4324 15.4324 k = 0.0000 0.0000 0.5087 ( 1509 PWs) bands (ev): -25.5208 -25.5208 -12.4041 -12.4041 -8.4631 -8.4631 -7.4343 -7.4343 -7.2788 -7.2788 -0.3648 -0.3648 2.4343 2.4343 3.0955 3.0955 3.3752 3.3752 7.5086 7.5086 10.6521 10.6521 14.3421 14.3421 15.3110 15.3110 15.4626 15.4626 k = 0.0000 0.0000 0.5217 ( 1509 PWs) bands (ev): -25.5190 -25.5190 -12.3985 -12.3985 -8.4751 -8.4751 -7.4511 -7.4511 -7.2882 -7.2882 -0.3638 -0.3638 2.4674 2.4674 3.1061 3.1061 3.3762 3.3762 7.4759 7.4759 10.6773 10.6773 14.3953 14.3953 15.4402 15.4402 15.5018 15.5018 k = 0.0000 0.0000 0.5348 ( 1509 PWs) bands (ev): -25.5173 -25.5173 -12.3925 -12.3925 -8.4872 -8.4872 -7.4681 -7.4681 -7.2971 -7.2971 -0.3627 -0.3627 2.5016 2.5016 3.1166 3.1166 3.3774 3.3774 7.4445 7.4445 10.6986 10.6986 14.4463 14.4463 15.5303 15.5303 15.5843 15.5843 k = 0.0000 0.0000 0.5478 ( 1509 PWs) bands (ev): -25.5157 -25.5157 -12.3863 -12.3863 -8.4994 -8.4994 -7.4852 -7.4852 -7.3055 -7.3055 -0.3614 -0.3614 2.5367 2.5367 3.1268 3.1268 3.3787 3.3787 7.4145 7.4145 10.7163 10.7163 14.4950 14.4950 15.5810 15.5810 15.7095 15.7095 k = 0.0000 0.0000 0.5608 ( 1513 PWs) bands (ev): -25.5141 -25.5141 -12.3799 -12.3799 -8.5116 -8.5116 -7.5022 -7.5022 -7.3133 -7.3133 -0.3601 -0.3601 2.5722 2.5722 3.1367 3.1367 3.3800 3.3800 7.3861 7.3861 10.7307 10.7307 14.5410 14.5410 15.6330 15.6330 15.8357 15.8357 k = 0.0000 0.0000 0.5739 ( 1508 PWs) bands (ev): -25.5127 -25.5127 -12.3734 -12.3734 -8.5238 -8.5238 -7.5190 -7.5190 -7.3206 -7.3206 -0.3586 -0.3586 2.6082 2.6082 3.1462 3.1462 3.3815 3.3815 7.3591 7.3591 10.7422 10.7422 14.5840 14.5840 15.6883 15.6883 15.9593 15.9593 k = 0.0000 0.0000 0.5869 ( 1512 PWs) bands (ev): -25.5112 -25.5112 -12.3668 -12.3668 -8.5359 -8.5359 -7.5353 -7.5353 -7.3274 -7.3274 -0.3570 -0.3570 2.6441 2.6441 3.1552 3.1552 3.3831 3.3831 7.3337 7.3337 10.7507 10.7507 14.6236 14.6236 15.7464 15.7464 16.0793 16.0793 k = 0.0000 0.0000 0.6000 ( 1516 PWs) bands (ev): -25.5099 -25.5099 -12.3603 -12.3603 -8.5478 -8.5478 -7.5512 -7.5512 -7.3336 -7.3336 -0.3554 -0.3554 2.6796 2.6796 3.1636 3.1636 3.3846 3.3846 7.3099 7.3099 10.7570 10.7570 14.6597 14.6597 15.8067 15.8067 16.1928 16.1928 k = 0.0000 0.0000 0.6130 ( 1516 PWs) bands (ev): -25.5087 -25.5087 -12.3539 -12.3539 -8.5593 -8.5593 -7.5663 -7.5663 -7.3394 -7.3394 -0.3538 -0.3538 2.7143 2.7143 3.1714 3.1714 3.3863 3.3863 7.2878 7.2878 10.7611 10.7611 14.6919 14.6919 15.8682 15.8682 16.2771 16.2771 k = 0.0000 0.0000 0.6261 ( 1512 PWs) bands (ev): -25.5075 -25.5075 -12.3476 -12.3476 -8.5705 -8.5705 -7.5806 -7.5806 -7.3448 -7.3448 -0.3523 -0.3523 2.7482 2.7482 3.1785 3.1785 3.3878 3.3878 7.2673 7.2673 10.7636 10.7636 14.7202 14.7202 15.9300 15.9300 16.2885 16.2885 k = 0.0000 0.0000 0.6391 ( 1514 PWs) bands (ev): -25.5065 -25.5065 -12.3416 -12.3416 -8.5811 -8.5811 -7.5940 -7.5940 -7.3496 -7.3496 -0.3507 -0.3507 2.7806 2.7806 3.1849 3.1849 3.3893 3.3893 7.2485 7.2485 10.7646 10.7646 14.7445 14.7445 15.9912 15.9912 16.2875 16.2875 k = 0.0000 0.0000 0.6521 ( 1516 PWs) bands (ev): -25.5055 -25.5055 -12.3359 -12.3359 -8.5911 -8.5911 -7.6064 -7.6064 -7.3540 -7.3540 -0.3492 -0.3492 2.8113 2.8113 3.1905 3.1905 3.3907 3.3907 7.2314 7.2314 10.7646 10.7646 14.7648 14.7648 16.0508 16.0508 16.2869 16.2869 k = 0.0000 0.0000 0.6652 ( 1516 PWs) bands (ev): -25.5046 -25.5046 -12.3305 -12.3305 -8.6004 -8.6004 -7.6176 -7.6176 -7.3579 -7.3579 -0.3478 -0.3478 2.8400 2.8400 3.1952 3.1952 3.3921 3.3921 7.2160 7.2160 10.7638 10.7638 14.7813 14.7813 16.1076 16.1076 16.2878 16.2878 k = 0.0000 0.0000 0.6782 ( 1520 PWs) bands (ev): -25.5039 -25.5039 -12.3257 -12.3257 -8.6089 -8.6089 -7.6277 -7.6277 -7.3613 -7.3613 -0.3466 -0.3466 2.8664 2.8664 3.1992 3.1992 3.3934 3.3934 7.2024 7.2024 10.7625 10.7625 14.7943 14.7943 16.1607 16.1607 16.2905 16.2905 k = 0.0000 0.0000 0.6913 ( 1520 PWs) bands (ev): -25.5032 -25.5032 -12.3213 -12.3213 -8.6164 -8.6164 -7.6366 -7.6366 -7.3643 -7.3643 -0.3454 -0.3454 2.8902 2.8902 3.2024 3.2024 3.3945 3.3945 7.1906 7.1906 10.7608 10.7608 14.8042 14.8042 16.2091 16.2091 16.2946 16.2946 k = 0.0000 0.0000 0.7043 ( 1522 PWs) bands (ev): -25.5026 -25.5026 -12.3175 -12.3175 -8.6230 -8.6230 -7.6442 -7.6442 -7.3669 -7.3669 -0.3444 -0.3444 2.9110 2.9110 3.2048 3.2048 3.3955 3.3955 7.1806 7.1806 10.7590 10.7590 14.8115 14.8115 16.2518 16.2518 16.2999 16.2999 k = 0.0000 0.0000 0.7174 ( 1522 PWs) bands (ev): -25.5022 -25.5022 -12.3143 -12.3143 -8.6285 -8.6285 -7.6504 -7.6504 -7.3689 -7.3689 -0.3436 -0.3436 2.9286 2.9286 3.2066 3.2066 3.3963 3.3963 7.1723 7.1723 10.7573 10.7573 14.8167 14.8167 16.2873 16.2873 16.3061 16.3061 k = 0.0000 0.0000 0.7304 ( 1522 PWs) bands (ev): -25.5018 -25.5018 -12.3118 -12.3118 -8.6328 -8.6328 -7.6553 -7.6553 -7.3705 -7.3705 -0.3429 -0.3429 2.9426 2.9426 3.2079 3.2079 3.3970 3.3970 7.1659 7.1659 10.7559 10.7559 14.8201 14.8201 16.3078 16.3078 16.3199 16.3199 k = 0.0000 0.0000 0.7434 ( 1518 PWs) bands (ev): -25.5015 -25.5015 -12.3100 -12.3100 -8.6360 -8.6360 -7.6588 -7.6588 -7.3717 -7.3717 -0.3424 -0.3424 2.9528 2.9528 3.2087 3.2087 3.3975 3.3975 7.1614 7.1614 10.7548 10.7548 14.8222 14.8222 16.3134 16.3134 16.3397 16.3397 k = 0.0000 0.0000 0.7565 ( 1518 PWs) bands (ev): -25.5014 -25.5014 -12.3089 -12.3089 -8.6379 -8.6379 -7.6609 -7.6609 -7.3724 -7.3724 -0.3421 -0.3421 2.9591 2.9591 3.2091 3.2091 3.3978 3.3978 7.1586 7.1586 10.7541 10.7541 14.8234 14.8234 16.3164 16.3164 16.3523 16.3523 k = 0.0000 0.0000 0.7695 ( 1514 PWs) bands (ev): -25.5013 -25.5013 -12.3085 -12.3085 -8.6385 -8.6385 -7.6616 -7.6616 -7.3726 -7.3726 -0.3420 -0.3420 2.9612 2.9612 3.2092 3.2092 3.3979 3.3979 7.1578 7.1578 10.7541 10.7541 14.8237 14.8237 16.3175 16.3175 16.3566 16.3566 k = 0.0000 0.0000 0.7695 ( 1514 PWs) bands (ev): -25.5013 -25.5013 -12.3085 -12.3085 -8.6385 -8.6385 -7.6616 -7.6616 -7.3726 -7.3726 -0.3420 -0.3420 2.9612 2.9612 3.2092 3.2092 3.3979 3.3979 7.1578 7.1578 10.7541 10.7541 14.8237 14.8237 16.3175 16.3175 16.3566 16.3566 k =-0.0083 0.0097 0.7695 ( 1514 PWs) bands (ev): -25.5013 -25.5013 -12.3088 -12.3088 -8.6382 -8.6382 -7.6611 -7.6611 -7.3727 -7.3727 -0.3424 -0.3424 2.9612 2.9612 3.2079 3.2079 3.3976 3.3976 7.1605 7.1605 10.7543 10.7543 14.8268 14.8268 16.3021 16.3021 16.3566 16.3566 k =-0.0166 0.0194 0.7695 ( 1514 PWs) bands (ev): -25.5014 -25.5014 -12.3097 -12.3097 -8.6371 -8.6371 -7.6594 -7.6594 -7.3728 -7.3728 -0.3434 -0.3434 2.9612 2.9612 3.2040 3.2040 3.3969 3.3969 7.1687 7.1687 10.7550 10.7550 14.8361 14.8361 16.2589 16.2589 16.3563 16.3563 k =-0.0249 0.0291 0.7695 ( 1518 PWs) bands (ev): -25.5015 -25.5015 -12.3112 -12.3112 -8.6354 -8.6354 -7.6566 -7.6566 -7.3730 -7.3730 -0.3450 -0.3450 2.9614 2.9614 3.1974 3.1974 3.3958 3.3958 7.1823 7.1823 10.7561 10.7561 14.8513 14.8513 16.1939 16.1939 16.3556 16.3556 k =-0.0332 0.0389 0.7695 ( 1522 PWs) bands (ev): -25.5016 -25.5016 -12.3133 -12.3133 -8.6330 -8.6330 -7.6528 -7.6528 -7.3733 -7.3733 -0.3474 -0.3474 2.9615 2.9615 3.1880 3.1880 3.3947 3.3947 7.2014 7.2014 10.7576 10.7576 14.8723 14.8723 16.1128 16.1128 16.3544 16.3544 k =-0.0415 0.0486 0.7695 ( 1522 PWs) bands (ev): -25.5018 -25.5018 -12.3158 -12.3158 -8.6301 -8.6301 -7.6480 -7.6480 -7.3736 -7.3736 -0.3503 -0.3503 2.9617 2.9617 3.1756 3.1756 3.3937 3.3937 7.2259 7.2259 10.7597 10.7597 14.8987 14.8987 16.0201 16.0201 16.3526 16.3526 k =-0.0498 0.0583 0.7695 ( 1524 PWs) bands (ev): -25.5020 -25.5020 -12.3189 -12.3189 -8.6265 -8.6265 -7.6423 -7.6423 -7.3738 -7.3738 -0.3538 -0.3538 2.9620 2.9620 3.1601 3.1601 3.3933 3.3933 7.2556 7.2556 10.7623 10.7623 14.9298 14.9298 15.9185 15.9185 16.3495 16.3495 k =-0.0581 0.0680 0.7695 ( 1520 PWs) bands (ev): -25.5023 -25.5023 -12.3225 -12.3225 -8.6224 -8.6224 -7.6357 -7.6357 -7.3740 -7.3740 -0.3579 -0.3579 2.9624 2.9624 3.1417 3.1417 3.3935 3.3935 7.2906 7.2906 10.7653 10.7653 14.9652 14.9652 15.8100 15.8100 16.3406 16.3406 k =-0.0664 0.0777 0.7695 ( 1516 PWs) bands (ev): -25.5026 -25.5026 -12.3264 -12.3264 -8.6178 -8.6178 -7.6284 -7.6284 -7.3741 -7.3741 -0.3625 -0.3625 2.9627 2.9627 3.1205 3.1205 3.3944 3.3944 7.3307 7.3307 10.7688 10.7688 15.0041 15.0041 15.6960 15.6960 16.3176 16.3176 k =-0.0747 0.0874 0.7695 ( 1516 PWs) bands (ev): -25.5029 -25.5029 -12.3308 -12.3308 -8.6128 -8.6128 -7.6206 -7.6206 -7.3740 -7.3740 -0.3675 -0.3675 2.9630 2.9630 3.0967 3.0967 3.3962 3.3962 7.3758 7.3758 10.7726 10.7726 15.0457 15.0457 15.5772 15.5772 16.2860 16.2860 k =-0.0830 0.0971 0.7695 ( 1516 PWs) bands (ev): -25.5033 -25.5033 -12.3355 -12.3355 -8.6074 -8.6074 -7.6123 -7.6123 -7.3736 -7.3736 -0.3730 -0.3730 2.9632 2.9632 3.0707 3.0707 3.3989 3.3989 7.4259 7.4259 10.7769 10.7769 15.0889 15.0889 15.4545 15.4545 16.2500 16.2500 k =-0.0913 0.1068 0.7695 ( 1512 PWs) bands (ev): -25.5037 -25.5037 -12.3404 -12.3404 -8.6017 -8.6017 -7.6037 -7.6037 -7.3729 -7.3729 -0.3789 -0.3789 2.9630 2.9630 3.0431 3.0431 3.4024 3.4024 7.4808 7.4808 10.7816 10.7816 15.1327 15.1327 15.3286 15.3286 16.2108 16.2108 k =-0.0996 0.1166 0.7695 ( 1510 PWs) bands (ev): -25.5041 -25.5041 -12.3455 -12.3455 -8.5958 -8.5958 -7.5950 -7.5950 -7.3716 -7.3716 -0.3850 -0.3850 2.9615 2.9615 3.0153 3.0153 3.4067 3.4067 7.5403 7.5403 10.7866 10.7866 15.1715 15.1715 15.2040 15.2040 16.1684 16.1684 k =-0.1079 0.1263 0.7695 ( 1510 PWs) bands (ev): -25.5046 -25.5046 -12.3507 -12.3507 -8.5897 -8.5897 -7.5865 -7.5865 -7.3698 -7.3698 -0.3914 -0.3914 2.9550 2.9550 2.9914 2.9914 3.4118 3.4118 7.6044 7.6044 10.7920 10.7920 15.0653 15.0653 15.2201 15.2201 16.1233 16.1233 k =-0.1162 0.1360 0.7695 ( 1506 PWs) bands (ev): -25.5051 -25.5051 -12.3561 -12.3561 -8.5835 -8.5835 -7.5782 -7.5782 -7.3672 -7.3672 -0.3981 -0.3981 2.9354 2.9354 2.9799 2.9799 3.4176 3.4176 7.6728 7.6728 10.7978 10.7978 14.9314 14.9314 15.2589 15.2589 16.0760 16.0760 k =-0.1245 0.1457 0.7695 ( 1510 PWs) bands (ev): -25.5057 -25.5057 -12.3614 -12.3614 -8.5772 -8.5772 -7.5705 -7.5705 -7.3638 -7.3638 -0.4049 -0.4049 2.9063 2.9063 2.9775 2.9775 3.4239 3.4239 7.7453 7.7453 10.8038 10.8038 14.7951 14.7951 15.2940 15.2940 16.0263 16.0263 k =-0.1328 0.1554 0.7695 ( 1510 PWs) bands (ev): -25.5063 -25.5063 -12.3667 -12.3667 -8.5710 -8.5710 -7.5635 -7.5635 -7.3596 -7.3596 -0.4118 -0.4118 2.8746 2.8746 2.9777 2.9777 3.4309 3.4309 7.8219 7.8219 10.8102 10.8102 14.6571 14.6571 15.3242 15.3242 15.9749 15.9749 k =-0.1411 0.1651 0.7695 ( 1514 PWs) bands (ev): -25.5069 -25.5069 -12.3719 -12.3719 -8.5648 -8.5648 -7.5573 -7.5573 -7.3544 -7.3544 -0.4187 -0.4187 2.8423 2.8423 2.9791 2.9791 3.4384 3.4384 7.9022 7.9022 10.8168 10.8168 14.5175 14.5175 15.3485 15.3485 15.9218 15.9218 k =-0.1494 0.1748 0.7695 ( 1516 PWs) bands (ev): -25.5075 -25.5075 -12.3770 -12.3770 -8.5588 -8.5588 -7.5520 -7.5520 -7.3484 -7.3484 -0.4256 -0.4256 2.8103 2.8103 2.9810 2.9810 3.4464 3.4464 7.9862 7.9862 10.8237 10.8237 14.3769 14.3769 15.3661 15.3661 15.8673 15.8673 k =-0.1577 0.1846 0.7695 ( 1522 PWs) bands (ev): -25.5082 -25.5082 -12.3818 -12.3818 -8.5529 -8.5529 -7.5477 -7.5477 -7.3415 -7.3415 -0.4324 -0.4324 2.7792 2.7792 2.9833 2.9833 3.4549 3.4549 8.0735 8.0735 10.8307 10.8307 14.2353 14.2353 15.3767 15.3767 15.8119 15.8119 k =-0.1661 0.1943 0.7695 ( 1518 PWs) bands (ev): -25.5089 -25.5089 -12.3863 -12.3863 -8.5472 -8.5472 -7.5444 -7.5444 -7.3340 -7.3340 -0.4392 -0.4392 2.7493 2.7493 2.9861 2.9861 3.4639 3.4639 8.1641 8.1641 10.8381 10.8381 14.0932 14.0932 15.3800 15.3800 15.7559 15.7559 k =-0.1744 0.2040 0.7695 ( 1518 PWs) bands (ev): -25.5097 -25.5097 -12.3905 -12.3905 -8.5419 -8.5419 -7.5419 -7.5419 -7.3259 -7.3259 -0.4458 -0.4458 2.7210 2.7210 2.9891 2.9891 3.4732 3.4732 8.2577 8.2577 10.8455 10.8455 13.9507 13.9507 15.3763 15.3763 15.6995 15.6995 k =-0.1827 0.2137 0.7695 ( 1518 PWs) bands (ev): -25.5104 -25.5104 -12.3944 -12.3944 -8.5368 -8.5368 -7.5402 -7.5402 -7.3176 -7.3176 -0.4522 -0.4522 2.6945 2.6945 2.9926 2.9926 3.4828 3.4828 8.3541 8.3541 10.8532 10.8532 13.8082 13.8082 15.3658 15.3658 15.6431 15.6431 k =-0.1827 0.2137 0.7695 ( 1518 PWs) bands (ev): -25.5104 -25.5104 -12.3944 -12.3944 -8.5368 -8.5368 -7.5402 -7.5402 -7.3176 -7.3176 -0.4522 -0.4522 2.6945 2.6945 2.9926 2.9926 3.4828 3.4828 8.3541 8.3541 10.8532 10.8532 13.8082 13.8082 15.3658 15.3658 15.6431 15.6431 k =-0.1885 0.2206 0.7605 ( 1518 PWs) bands (ev): -25.5110 -25.5110 -12.3970 -12.3970 -8.5332 -8.5332 -7.5392 -7.5392 -7.3115 -7.3115 -0.4566 -0.4566 2.6767 2.6767 2.9946 2.9946 3.4897 3.4897 8.4241 8.4241 10.8586 10.8586 13.7078 13.7078 15.3564 15.3564 15.6026 15.6026 k =-0.1944 0.2274 0.7514 ( 1520 PWs) bands (ev): -25.5116 -25.5116 -12.3998 -12.3998 -8.5293 -8.5293 -7.5378 -7.5378 -7.3053 -7.3053 -0.4610 -0.4610 2.6593 2.6593 2.9956 2.9956 3.4963 3.4963 8.4959 8.4959 10.8639 10.8639 13.6087 13.6087 15.3479 15.3479 15.5606 15.5606 k =-0.2003 0.2343 0.7424 ( 1520 PWs) bands (ev): -25.5122 -25.5122 -12.4026 -12.4026 -8.5251 -8.5251 -7.5361 -7.5361 -7.2990 -7.2990 -0.4654 -0.4654 2.6424 2.6424 2.9955 2.9955 3.5027 3.5027 8.5694 8.5694 10.8689 10.8689 13.5113 13.5113 15.3408 15.3408 15.5175 15.5175 k =-0.2062 0.2412 0.7333 ( 1518 PWs) bands (ev): -25.5129 -25.5129 -12.4056 -12.4056 -8.5206 -8.5206 -7.5340 -7.5340 -7.2928 -7.2928 -0.4696 -0.4696 2.6263 2.6263 2.9942 2.9942 3.5088 3.5088 8.6444 8.6444 10.8737 10.8737 13.4159 13.4159 15.3353 15.3353 15.4734 15.4734 k =-0.2120 0.2481 0.7243 ( 1518 PWs) bands (ev): -25.5136 -25.5136 -12.4086 -12.4086 -8.5160 -8.5160 -7.5316 -7.5316 -7.2866 -7.2866 -0.4738 -0.4738 2.6108 2.6108 2.9919 2.9919 3.5146 3.5146 8.7208 8.7208 10.8781 10.8781 13.3228 13.3228 15.3317 15.3317 15.4283 15.4283 k =-0.2179 0.2549 0.7153 ( 1520 PWs) bands (ev): -25.5143 -25.5143 -12.4116 -12.4116 -8.5112 -8.5112 -7.5288 -7.5288 -7.2807 -7.2807 -0.4779 -0.4779 2.5962 2.5962 2.9885 2.9885 3.5202 3.5202 8.7983 8.7983 10.8819 10.8819 13.2324 13.2324 15.3302 15.3302 15.3826 15.3826 k =-0.2238 0.2618 0.7062 ( 1520 PWs) bands (ev): -25.5150 -25.5150 -12.4147 -12.4147 -8.5063 -8.5063 -7.5256 -7.5256 -7.2750 -7.2750 -0.4818 -0.4818 2.5824 2.5824 2.9841 2.9841 3.5255 3.5255 8.8768 8.8768 10.8850 10.8850 13.1448 13.1448 15.3271 15.3271 15.3401 15.3401 k =-0.2297 0.2687 0.6972 ( 1521 PWs) bands (ev): -25.5157 -25.5157 -12.4178 -12.4178 -8.5013 -8.5013 -7.5220 -7.5220 -7.2696 -7.2696 -0.4856 -0.4856 2.5696 2.5696 2.9787 2.9787 3.5305 3.5305 8.9560 8.9560 10.8874 10.8874 13.0602 13.0602 15.2868 15.2868 15.3367 15.3367 k =-0.2355 0.2756 0.6881 ( 1521 PWs) bands (ev): -25.5164 -25.5164 -12.4208 -12.4208 -8.4964 -8.4964 -7.5180 -7.5180 -7.2646 -7.2646 -0.4893 -0.4893 2.5576 2.5576 2.9725 2.9725 3.5353 3.5353 9.0359 9.0359 10.8889 10.8889 12.9790 12.9790 15.2394 15.2394 15.3426 15.3426 k =-0.2414 0.2824 0.6791 ( 1519 PWs) bands (ev): -25.5171 -25.5171 -12.4239 -12.4239 -8.4914 -8.4914 -7.5137 -7.5137 -7.2599 -7.2599 -0.4929 -0.4929 2.5467 2.5467 2.9654 2.9654 3.5397 3.5397 9.1160 9.1160 10.8894 10.8894 12.9013 12.9013 15.1915 15.1915 15.3515 15.3515 k =-0.2473 0.2893 0.6700 ( 1517 PWs) bands (ev): -25.5178 -25.5178 -12.4268 -12.4268 -8.4866 -8.4866 -7.5089 -7.5089 -7.2557 -7.2557 -0.4963 -0.4963 2.5368 2.5368 2.9577 2.9577 3.5439 3.5439 9.1963 9.1963 10.8885 10.8885 12.8273 12.8273 15.1434 15.1434 15.3630 15.3630 k =-0.2532 0.2962 0.6610 ( 1511 PWs) bands (ev): -25.5185 -25.5185 -12.4297 -12.4297 -8.4818 -8.4818 -7.5039 -7.5039 -7.2520 -7.2520 -0.4995 -0.4995 2.5278 2.5278 2.9493 2.9493 3.5479 3.5479 9.2765 9.2765 10.8864 10.8864 12.7570 12.7570 15.0955 15.0955 15.3772 15.3772 k =-0.2591 0.3031 0.6519 ( 1513 PWs) bands (ev): -25.5191 -25.5191 -12.4325 -12.4325 -8.4772 -8.4772 -7.4986 -7.4986 -7.2488 -7.2488 -0.5026 -0.5026 2.5198 2.5198 2.9404 2.9404 3.5516 3.5516 9.3562 9.3562 10.8826 10.8826 12.6907 12.6907 15.0481 15.0481 15.3938 15.3938 k =-0.2649 0.3099 0.6429 ( 1513 PWs) bands (ev): -25.5198 -25.5198 -12.4352 -12.4352 -8.4728 -8.4728 -7.4930 -7.4930 -7.2461 -7.2461 -0.5055 -0.5055 2.5128 2.5128 2.9312 2.9312 3.5549 3.5549 9.4351 9.4351 10.8772 10.8772 12.6285 12.6285 15.0014 15.0014 15.4127 15.4127 k =-0.2708 0.3168 0.6339 ( 1511 PWs) bands (ev): -25.5204 -25.5204 -12.4378 -12.4378 -8.4686 -8.4686 -7.4872 -7.4872 -7.2438 -7.2438 -0.5082 -0.5082 2.5067 2.5067 2.9218 2.9218 3.5581 3.5581 9.5129 9.5129 10.8701 10.8701 12.5704 12.5704 14.9558 14.9558 15.4337 15.4337 k =-0.2767 0.3237 0.6248 ( 1511 PWs) bands (ev): -25.5210 -25.5210 -12.4402 -12.4402 -8.4646 -8.4646 -7.4814 -7.4814 -7.2421 -7.2421 -0.5107 -0.5107 2.5016 2.5016 2.9123 2.9123 3.5609 3.5609 9.5893 9.5893 10.8611 10.8611 12.5167 12.5167 14.9117 14.9117 15.4564 15.4564 k =-0.2826 0.3306 0.6158 ( 1513 PWs) bands (ev): -25.5215 -25.5215 -12.4425 -12.4425 -8.4609 -8.4609 -7.4755 -7.4755 -7.2408 -7.2408 -0.5130 -0.5130 2.4972 2.4972 2.9029 2.9029 3.5634 3.5634 9.6637 9.6637 10.8502 10.8502 12.4673 12.4673 14.8695 14.8695 15.4807 15.4807 k =-0.2884 0.3374 0.6067 ( 1517 PWs) bands (ev): -25.5220 -25.5220 -12.4446 -12.4446 -8.4575 -8.4575 -7.4697 -7.4697 -7.2399 -7.2399 -0.5151 -0.5151 2.4936 2.4936 2.8936 2.8936 3.5657 3.5657 9.7357 9.7357 10.8373 10.8373 12.4224 12.4224 14.8295 14.8295 15.5059 15.5059 k =-0.2943 0.3443 0.5977 ( 1515 PWs) bands (ev): -25.5224 -25.5224 -12.4465 -12.4465 -8.4544 -8.4544 -7.4641 -7.4641 -7.2394 -7.2394 -0.5170 -0.5170 2.4908 2.4908 2.8848 2.8848 3.5678 3.5678 9.8048 9.8048 10.8228 10.8228 12.3821 12.3821 14.7923 14.7923 15.5317 15.5317 k =-0.3002 0.3512 0.5886 ( 1515 PWs) bands (ev): -25.5229 -25.5229 -12.4483 -12.4483 -8.4517 -8.4517 -7.4587 -7.4587 -7.2393 -7.2393 -0.5187 -0.5187 2.4885 2.4885 2.8766 2.8766 3.5696 3.5696 9.8702 9.8702 10.8066 10.8066 12.3463 12.3463 14.7583 14.7583 15.5574 15.5574 k =-0.3061 0.3581 0.5796 ( 1519 PWs) bands (ev): -25.5232 -25.5232 -12.4498 -12.4498 -8.4493 -8.4493 -7.4538 -7.4538 -7.2394 -7.2394 -0.5201 -0.5201 2.4868 2.4868 2.8690 2.8690 3.5712 3.5712 9.9312 9.9312 10.7892 10.7892 12.3152 12.3152 14.7278 14.7278 15.5824 15.5824 k =-0.3119 0.3649 0.5705 ( 1517 PWs) bands (ev): -25.5235 -25.5235 -12.4511 -12.4511 -8.4472 -8.4472 -7.4493 -7.4493 -7.2396 -7.2396 -0.5214 -0.5214 2.4856 2.4856 2.8623 2.8623 3.5725 3.5725 9.9868 9.9868 10.7713 10.7713 12.2888 12.2888 14.7012 14.7012 15.6057 15.6057 k =-0.3178 0.3718 0.5615 ( 1517 PWs) bands (ev): -25.5238 -25.5238 -12.4522 -12.4522 -8.4455 -8.4455 -7.4454 -7.4454 -7.2400 -7.2400 -0.5224 -0.5224 2.4847 2.4847 2.8566 2.8566 3.5736 3.5736 10.0357 10.0357 10.7537 10.7537 12.2672 12.2672 14.6790 14.6790 15.6267 15.6267 k =-0.3237 0.3787 0.5525 ( 1517 PWs) bands (ev): -25.5240 -25.5240 -12.4530 -12.4530 -8.4442 -8.4442 -7.4423 -7.4423 -7.2404 -7.2404 -0.5232 -0.5232 2.4841 2.4841 2.8521 2.8521 3.5744 3.5744 10.0766 10.0766 10.7376 10.7376 12.2503 12.2503 14.6613 14.6613 15.6442 15.6442 k =-0.3296 0.3856 0.5434 ( 1519 PWs) bands (ev): -25.5241 -25.5241 -12.4536 -12.4536 -8.4433 -8.4433 -7.4400 -7.4400 -7.2407 -7.2407 -0.5238 -0.5238 2.4836 2.4836 2.8487 2.8487 3.5750 3.5750 10.1076 10.1076 10.7244 10.7244 12.2382 12.2382 14.6485 14.6485 15.6575 15.6575 k =-0.3355 0.3924 0.5344 ( 1520 PWs) bands (ev): -25.5242 -25.5242 -12.4540 -12.4540 -8.4427 -8.4427 -7.4386 -7.4386 -7.2410 -7.2410 -0.5241 -0.5241 2.4833 2.4833 2.8467 2.8467 3.5754 3.5754 10.1272 10.1272 10.7157 10.7157 12.2310 12.2310 14.6408 14.6408 15.6659 15.6659 k =-0.3413 0.3993 0.5253 ( 1518 PWs) bands (ev): -25.5242 -25.5242 -12.4541 -12.4541 -8.4425 -8.4425 -7.4381 -7.4381 -7.2411 -7.2411 -0.5242 -0.5242 2.4832 2.4832 2.8461 2.8461 3.5755 3.5755 10.1338 10.1338 10.7127 10.7127 12.2285 12.2285 14.6382 14.6382 15.6688 15.6688 k =-0.3413 0.3993 0.5253 ( 1518 PWs) bands (ev): -25.5242 -25.5242 -12.4541 -12.4541 -8.4425 -8.4425 -7.4381 -7.4381 -7.2411 -7.2411 -0.5242 -0.5242 2.4832 2.4832 2.8461 2.8461 3.5755 3.5755 10.1338 10.1338 10.7127 10.7127 12.2285 12.2285 14.6382 14.6382 15.6688 15.6688 k =-0.3353 0.3923 0.5161 ( 1516 PWs) bands (ev): -25.5239 -25.5239 -12.4620 -12.4620 -8.4342 -8.4342 -7.4276 -7.4276 -7.2351 -7.2351 -0.5239 -0.5239 2.4486 2.4486 2.8289 2.8289 3.5600 3.5600 10.0768 10.0768 10.6813 10.6813 12.3472 12.3472 14.6224 14.6224 15.7764 15.7764 k =-0.3294 0.3853 0.5069 ( 1520 PWs) bands (ev): -25.5236 -25.5236 -12.4697 -12.4697 -8.4259 -8.4259 -7.4171 -7.4171 -7.2293 -7.2293 -0.5234 -0.5234 2.4151 2.4151 2.8126 2.8126 3.5442 3.5442 10.0197 10.0197 10.6483 10.6483 12.4660 12.4660 14.6102 14.6102 15.7914 15.7914 k =-0.3234 0.3783 0.4977 ( 1522 PWs) bands (ev): -25.5234 -25.5234 -12.4770 -12.4770 -8.4176 -8.4176 -7.4065 -7.4065 -7.2235 -7.2235 -0.5227 -0.5227 2.3828 2.3828 2.7972 2.7972 3.5281 3.5281 9.9626 9.9626 10.6138 10.6138 12.5845 12.5845 14.6015 14.6015 15.7793 15.7793 k =-0.3174 0.3713 0.4885 ( 1522 PWs) bands (ev): -25.5232 -25.5232 -12.4839 -12.4839 -8.4095 -8.4095 -7.3958 -7.3958 -7.2179 -7.2179 -0.5217 -0.5217 2.3519 2.3519 2.7830 2.7830 3.5116 3.5116 9.9057 9.9057 10.5778 10.5778 12.7022 12.7022 14.5964 14.5964 15.7688 15.7688 k =-0.3114 0.3643 0.4792 ( 1522 PWs) bands (ev): -25.5231 -25.5231 -12.4905 -12.4905 -8.4014 -8.4014 -7.3851 -7.3851 -7.2124 -7.2124 -0.5205 -0.5205 2.3225 2.3225 2.7699 2.7699 3.4950 3.4950 9.8492 9.8492 10.5405 10.5405 12.8182 12.8182 14.5946 14.5946 15.7609 15.7609 k =-0.3054 0.3573 0.4700 ( 1522 PWs) bands (ev): -25.5231 -25.5231 -12.4966 -12.4966 -8.3935 -8.3935 -7.3745 -7.3745 -7.2071 -7.2071 -0.5190 -0.5190 2.2946 2.2946 2.7581 2.7581 3.4781 3.4781 9.7932 9.7932 10.5018 10.5018 12.9320 12.9320 14.5961 14.5961 15.7555 15.7555 k =-0.2994 0.3503 0.4608 ( 1522 PWs) bands (ev): -25.5232 -25.5232 -12.5022 -12.5022 -8.3858 -8.3858 -7.3638 -7.3638 -7.2020 -7.2020 -0.5172 -0.5172 2.2684 2.2684 2.7476 2.7476 3.4611 3.4611 9.7378 9.7378 10.4618 10.4618 13.0428 13.0428 14.6009 14.6009 15.7528 15.7528 k =-0.2934 0.3433 0.4516 ( 1524 PWs) bands (ev): -25.5233 -25.5233 -12.5074 -12.5074 -8.3782 -8.3782 -7.3532 -7.3532 -7.1971 -7.1971 -0.5152 -0.5152 2.2439 2.2439 2.7385 2.7385 3.4440 3.4440 9.6832 9.6832 10.4206 10.4206 13.1500 13.1500 14.6088 14.6088 15.7528 15.7528 k =-0.2874 0.3363 0.4424 ( 1516 PWs) bands (ev): -25.5235 -25.5235 -12.5121 -12.5121 -8.3708 -8.3708 -7.3427 -7.3427 -7.1925 -7.1925 -0.5128 -0.5128 2.2213 2.2213 2.7310 2.7310 3.4268 3.4268 9.6296 9.6296 10.3784 10.3784 13.2527 13.2527 14.6198 14.6198 15.7555 15.7555 k =-0.2814 0.3293 0.4332 ( 1518 PWs) bands (ev): -25.5239 -25.5239 -12.5162 -12.5162 -8.3636 -8.3636 -7.3323 -7.3323 -7.1881 -7.1881 -0.5101 -0.5101 2.2003 2.2003 2.7248 2.7248 3.4096 3.4096 9.5769 9.5769 10.3351 10.3351 13.3501 13.3501 14.6338 14.6338 15.7607 15.7607 k =-0.2755 0.3223 0.4239 ( 1518 PWs) bands (ev): -25.5243 -25.5243 -12.5198 -12.5198 -8.3567 -8.3567 -7.3219 -7.3219 -7.1840 -7.1840 -0.5072 -0.5072 2.1813 2.1813 2.7202 2.7202 3.3925 3.3925 9.5254 9.5254 10.2909 10.2909 13.4415 13.4415 14.6507 14.6507 15.7685 15.7685 k =-0.2695 0.3153 0.4147 ( 1518 PWs) bands (ev): -25.5248 -25.5248 -12.5229 -12.5229 -8.3501 -8.3501 -7.3117 -7.3117 -7.1802 -7.1802 -0.5039 -0.5039 2.1641 2.1641 2.7171 2.7171 3.3754 3.3754 9.4752 9.4752 10.2458 10.2458 13.5260 13.5260 14.6705 14.6705 15.7788 15.7788 k =-0.2635 0.3082 0.4055 ( 1522 PWs) bands (ev): -25.5254 -25.5254 -12.5253 -12.5253 -8.3437 -8.3437 -7.3017 -7.3017 -7.1766 -7.1766 -0.5003 -0.5003 2.1488 2.1488 2.7156 2.7156 3.3585 3.3585 9.4263 9.4263 10.2001 10.2001 13.6030 13.6030 14.6930 14.6930 15.7916 15.7916 k =-0.2575 0.3012 0.3963 ( 1520 PWs) bands (ev): -25.5261 -25.5261 -12.5272 -12.5272 -8.3376 -8.3376 -7.2918 -7.2918 -7.1734 -7.1734 -0.4964 -0.4964 2.1354 2.1354 2.7158 2.7158 3.3419 3.3419 9.3789 9.3789 10.1538 10.1538 13.6717 13.6717 14.7182 14.7182 15.8067 15.8067 k =-0.2515 0.2942 0.3871 ( 1518 PWs) bands (ev): -25.5268 -25.5268 -12.5285 -12.5285 -8.3319 -8.3319 -7.2821 -7.2821 -7.1705 -7.1705 -0.4922 -0.4922 2.1239 2.1239 2.7177 2.7177 3.3255 3.3255 9.3331 9.3331 10.1069 10.1069 13.7316 13.7316 14.7461 14.7461 15.8240 15.8240 k =-0.2455 0.2872 0.3779 ( 1514 PWs) bands (ev): -25.5277 -25.5277 -12.5292 -12.5292 -8.3264 -8.3264 -7.2726 -7.2726 -7.1679 -7.1679 -0.4877 -0.4877 2.1143 2.1143 2.7211 2.7211 3.3096 3.3096 9.2889 9.2889 10.0596 10.0596 13.7821 13.7821 14.7765 14.7765 15.8434 15.8434 k =-0.2395 0.2802 0.3686 ( 1518 PWs) bands (ev): -25.5286 -25.5286 -12.5293 -12.5293 -8.3213 -8.3213 -7.2634 -7.2634 -7.1656 -7.1656 -0.4829 -0.4829 2.1064 2.1064 2.7263 2.7263 3.2940 3.2940 9.2463 9.2463 10.0121 10.0121 13.8226 13.8226 14.8093 14.8093 15.8648 15.8648 k =-0.2335 0.2732 0.3594 ( 1518 PWs) bands (ev): -25.5297 -25.5297 -12.5288 -12.5288 -8.3165 -8.3165 -7.2543 -7.2543 -7.1637 -7.1637 -0.4778 -0.4778 2.1004 2.1004 2.7331 2.7331 3.2790 3.2790 9.2055 9.2055 9.9645 9.9645 13.8530 13.8530 14.8445 14.8445 15.8878 15.8878 k =-0.2276 0.2662 0.3502 ( 1510 PWs) bands (ev): -25.5308 -25.5308 -12.5277 -12.5277 -8.3121 -8.3121 -7.2455 -7.2455 -7.1621 -7.1621 -0.4724 -0.4724 2.0961 2.0961 2.7415 2.7415 3.2646 3.2646 9.1666 9.1666 9.9168 9.9168 13.8731 13.8731 14.8821 14.8821 15.8581 15.8581 k =-0.2216 0.2592 0.3410 ( 1512 PWs) bands (ev): -25.5320 -25.5320 -12.5261 -12.5261 -8.3080 -8.3080 -7.2369 -7.2369 -7.1608 -7.1608 -0.4667 -0.4667 2.0933 2.0933 2.7515 2.7515 3.2508 3.2508 9.1295 9.1295 9.8691 9.8691 13.8827 13.8827 14.9217 14.9217 15.7288 15.7288 k =-0.2156 0.2522 0.3318 ( 1512 PWs) bands (ev): -25.5333 -25.5333 -12.5238 -12.5238 -8.3043 -8.3043 -7.2286 -7.2286 -7.1599 -7.1599 -0.4608 -0.4608 2.0921 2.0921 2.7632 2.7632 3.2378 3.2378 9.0943 9.0943 9.8216 9.8216 13.8820 13.8820 14.9636 14.9636 15.5923 15.5923 k =-0.2096 0.2452 0.3226 ( 1516 PWs) bands (ev): -25.5346 -25.5346 -12.5211 -12.5211 -8.3009 -8.3009 -7.2205 -7.2205 -7.1593 -7.1593 -0.4547 -0.4547 2.0924 2.0924 2.7763 2.7763 3.2257 3.2257 9.0609 9.0609 9.7743 9.7743 13.8712 13.8712 15.0074 15.0074 15.4512 15.4512 k =-0.2036 0.2382 0.3134 ( 1515 PWs) bands (ev): -25.5361 -25.5361 -12.5178 -12.5178 -8.2979 -8.2979 -7.2127 -7.2127 -7.1590 -7.1590 -0.4483 -0.4483 2.0940 2.0940 2.7910 2.7910 3.2146 3.2146 9.0296 9.0296 9.7274 9.7274 13.8506 13.8506 15.0532 15.0532 15.3073 15.3073 k =-0.1976 0.2312 0.3041 ( 1511 PWs) bands (ev): -25.5376 -25.5376 -12.5140 -12.5140 -8.2952 -8.2952 -7.2052 -7.2052 -7.1590 -7.1590 -0.4417 -0.4417 2.0968 2.0968 2.8071 2.8071 3.2045 3.2045 9.0002 9.0002 9.6809 9.6809 13.8208 13.8208 15.1007 15.1007 15.1620 15.1620 k =-0.1916 0.2242 0.2949 ( 1507 PWs) bands (ev): -25.5391 -25.5391 -12.5097 -12.5097 -8.2929 -8.2929 -7.1980 -7.1980 -7.1592 -7.1592 -0.4350 -0.4350 2.1007 2.1007 2.8246 2.8246 3.1956 3.1956 8.9729 8.9729 9.6350 9.6350 13.7822 13.7822 15.0155 15.0155 15.1507 15.1507 k =-0.1856 0.2172 0.2857 ( 1509 PWs) bands (ev): -25.5407 -25.5407 -12.5050 -12.5050 -8.2909 -8.2909 -7.1910 -7.1910 -7.1598 -7.1598 -0.4280 -0.4280 2.1054 2.1054 2.8434 2.8434 3.1880 3.1880 8.9474 8.9474 9.5897 9.5897 13.7354 13.7354 14.8700 14.8700 15.2018 15.2018 k =-0.1796 0.2102 0.2765 ( 1517 PWs) bands (ev): -25.5424 -25.5424 -12.4998 -12.4998 -8.2892 -8.2892 -7.1844 -7.1844 -7.1606 -7.1606 -0.4210 -0.4210 2.1109 2.1109 2.8634 2.8634 3.1817 3.1817 8.9240 8.9240 9.5450 9.5450 13.6811 13.6811 14.7255 14.7255 15.2546 15.2546 k =-0.1737 0.2032 0.2673 ( 1517 PWs) bands (ev): -25.5441 -25.5441 -12.4943 -12.4943 -8.2878 -8.2878 -7.1780 -7.1780 -7.1616 -7.1616 -0.4138 -0.4138 2.1170 2.1170 2.8845 2.8845 3.1769 3.1769 8.9025 8.9025 9.5012 9.5012 13.6202 13.6202 14.5828 14.5828 15.3090 15.3090 k =-0.1677 0.1962 0.2581 ( 1521 PWs) bands (ev): -25.5458 -25.5458 -12.4884 -12.4884 -8.2868 -8.2868 -7.1721 -7.1721 -7.1626 -7.1626 -0.4065 -0.4065 2.1236 2.1236 2.9067 2.9067 3.1737 3.1737 8.8830 8.8830 9.4581 9.4581 13.5533 13.5533 14.4424 14.4424 15.3647 15.3647 k =-0.1617 0.1892 0.2488 ( 1517 PWs) bands (ev): -25.5476 -25.5476 -12.4821 -12.4821 -8.2860 -8.2860 -7.1675 -7.1675 -7.1630 -7.1630 -0.3992 -0.3992 2.1305 2.1305 2.9299 2.9299 3.1721 3.1721 8.8654 8.8654 9.4160 9.4160 13.4812 13.4812 14.3046 14.3046 15.4218 15.4218 k =-0.1557 0.1821 0.2396 ( 1513 PWs) bands (ev): -25.5493 -25.5493 -12.4756 -12.4756 -8.2855 -8.2855 -7.1671 -7.1671 -7.1595 -7.1595 -0.3918 -0.3918 2.1375 2.1375 2.9540 2.9540 3.1722 3.1722 8.8496 8.8496 9.3750 9.3750 13.4048 13.4048 14.1698 14.1698 15.4802 15.4802 k =-0.1497 0.1751 0.2304 ( 1513 PWs) bands (ev): -25.5511 -25.5511 -12.4688 -12.4688 -8.2852 -8.2852 -7.1687 -7.1687 -7.1545 -7.1545 -0.3844 -0.3844 2.1444 2.1444 2.9787 2.9787 3.1741 3.1741 8.8357 8.8357 9.3350 9.3350 13.3249 13.3249 14.0382 14.0382 15.5396 15.5396 k =-0.1437 0.1681 0.2212 ( 1519 PWs) bands (ev): -25.5529 -25.5529 -12.4618 -12.4618 -8.2852 -8.2852 -7.1706 -7.1706 -7.1496 -7.1496 -0.3770 -0.3770 2.1511 2.1511 3.0041 3.0041 3.1777 3.1777 8.8235 8.8235 9.2961 9.2961 13.2421 13.2421 13.9100 13.9100 15.5999 15.5999 k =-0.1377 0.1611 0.2120 ( 1523 PWs) bands (ev): -25.5548 -25.5548 -12.4547 -12.4547 -8.2854 -8.2854 -7.1728 -7.1728 -7.1449 -7.1449 -0.3697 -0.3697 2.1575 2.1575 3.0299 3.0299 3.1830 3.1830 8.8131 8.8131 9.2584 9.2584 13.1573 13.1573 13.7854 13.7854 15.6610 15.6610 k =-0.1317 0.1541 0.2028 ( 1527 PWs) bands (ev): -25.5566 -25.5566 -12.4474 -12.4474 -8.2858 -8.2858 -7.1750 -7.1750 -7.1404 -7.1404 -0.3624 -0.3624 2.1636 2.1636 3.0561 3.0561 3.1902 3.1902 8.8042 8.8042 9.2218 9.2218 13.0714 13.0714 13.6645 13.6645 15.7076 15.7076 k =-0.1258 0.1471 0.1935 ( 1527 PWs) bands (ev): -25.5583 -25.5583 -12.4401 -12.4401 -8.2864 -8.2864 -7.1774 -7.1774 -7.1362 -7.1362 -0.3553 -0.3553 2.1691 2.1691 3.0824 3.0824 3.1991 3.1991 8.7969 8.7969 9.1867 9.1867 12.9851 12.9851 13.5474 13.5474 15.6234 15.6234 k =-0.1198 0.1401 0.1843 ( 1529 PWs) bands (ev): -25.5601 -25.5601 -12.4327 -12.4327 -8.2872 -8.2872 -7.1798 -7.1798 -7.1323 -7.1323 -0.3482 -0.3482 2.1742 2.1742 3.1089 3.1089 3.2096 3.2096 8.7911 8.7911 9.1528 9.1528 12.8989 12.8989 13.4343 13.4343 15.5360 15.5360 k =-0.1138 0.1331 0.1751 ( 1529 PWs) bands (ev): -25.5618 -25.5618 -12.4253 -12.4253 -8.2881 -8.2881 -7.1823 -7.1823 -7.1285 -7.1285 -0.3413 -0.3413 2.1786 2.1786 3.1352 3.1352 3.2218 3.2218 8.7866 8.7866 9.1204 9.1204 12.8137 12.8137 13.3251 13.3251 15.4503 15.4503 k =-0.1078 0.1261 0.1659 ( 1533 PWs) bands (ev): -25.5635 -25.5635 -12.4179 -12.4179 -8.2891 -8.2891 -7.1849 -7.1849 -7.1251 -7.1251 -0.3346 -0.3346 2.1824 2.1824 3.1613 3.1613 3.2352 3.2352 8.7832 8.7832 9.0894 9.0894 12.7299 12.7299 13.2200 13.2200 15.3668 15.3668 k =-0.1018 0.1191 0.1567 ( 1533 PWs) bands (ev): -25.5652 -25.5652 -12.4107 -12.4107 -8.2902 -8.2902 -7.1874 -7.1874 -7.1218 -7.1218 -0.3281 -0.3281 2.1856 2.1856 3.1869 3.1869 3.2501 3.2501 8.7811 8.7811 9.0598 9.0598 12.6482 12.6482 13.1192 13.1192 15.2858 15.2858 k =-0.0958 0.1121 0.1475 ( 1533 PWs) bands (ev): -25.5668 -25.5668 -12.4036 -12.4036 -8.2913 -8.2913 -7.1899 -7.1899 -7.1188 -7.1188 -0.3219 -0.3219 2.1883 2.1883 3.2118 3.2118 3.2660 3.2660 8.7801 8.7801 9.0317 9.0317 12.5691 12.5691 13.0227 13.0227 15.2077 15.2077 k =-0.0898 0.1051 0.1382 ( 1533 PWs) bands (ev): -25.5683 -25.5683 -12.3966 -12.3966 -8.2926 -8.2926 -7.1923 -7.1923 -7.1160 -7.1160 -0.3158 -0.3158 2.1903 2.1903 3.2360 3.2360 3.2829 3.2829 8.7799 8.7799 9.0052 9.0052 12.4929 12.4929 12.9307 12.9307 15.1327 15.1327 k =-0.0838 0.0981 0.1290 ( 1537 PWs) bands (ev): -25.5698 -25.5698 -12.3899 -12.3899 -8.2938 -8.2938 -7.1948 -7.1948 -7.1134 -7.1134 -0.3101 -0.3101 2.1919 2.1919 3.2592 3.2592 3.3005 3.3005 8.7805 8.7805 8.9803 8.9803 12.4202 12.4202 12.8433 12.8433 15.0612 15.0612 k =-0.0778 0.0911 0.1198 ( 1533 PWs) bands (ev): -25.5712 -25.5712 -12.3835 -12.3835 -8.2951 -8.2951 -7.1971 -7.1971 -7.1110 -7.1110 -0.3047 -0.3047 2.1930 2.1930 3.2813 3.2813 3.3186 3.3186 8.7818 8.7818 8.9570 8.9570 12.3512 12.3512 12.7609 12.7609 14.9933 14.9933 k =-0.0719 0.0841 0.1106 ( 1531 PWs) bands (ev): -25.5725 -25.5725 -12.3773 -12.3773 -8.2963 -8.2963 -7.1993 -7.1993 -7.1088 -7.1088 -0.2995 -0.2995 2.1937 2.1937 3.3022 3.3022 3.3369 3.3369 8.7837 8.7837 8.9353 8.9353 12.2863 12.2863 12.6834 12.6834 14.9294 14.9294 k =-0.0659 0.0771 0.1014 ( 1535 PWs) bands (ev): -25.5738 -25.5738 -12.3716 -12.3716 -8.2976 -8.2976 -7.2014 -7.2014 -7.1068 -7.1068 -0.2947 -0.2947 2.1941 2.1941 3.3217 3.3217 3.3551 3.3551 8.7859 8.7859 8.9152 8.9152 12.2257 12.2257 12.6112 12.6112 14.8697 14.8697 k =-0.0599 0.0701 0.0922 ( 1531 PWs) bands (ev): -25.5749 -25.5749 -12.3661 -12.3661 -8.2988 -8.2988 -7.2034 -7.2034 -7.1051 -7.1051 -0.2903 -0.2903 2.1942 2.1942 3.3400 3.3400 3.3728 3.3728 8.7885 8.7885 8.8969 8.8969 12.1697 12.1697 12.5444 12.5444 14.8144 14.8144 k =-0.0539 0.0631 0.0829 ( 1531 PWs) bands (ev): -25.5760 -25.5760 -12.3611 -12.3611 -8.2999 -8.2999 -7.2053 -7.2053 -7.1035 -7.1035 -0.2862 -0.2862 2.1941 2.1941 3.3569 3.3569 3.3896 3.3896 8.7911 8.7911 8.8803 8.8803 12.1184 12.1184 12.4832 12.4832 14.7637 14.7637 k =-0.0479 0.0560 0.0737 ( 1531 PWs) bands (ev): -25.5769 -25.5769 -12.3565 -12.3565 -8.3010 -8.3010 -7.2070 -7.2070 -7.1021 -7.1021 -0.2826 -0.2826 2.1938 2.1938 3.3724 3.3724 3.4054 3.4054 8.7938 8.7938 8.8654 8.8654 12.0722 12.0722 12.4279 12.4279 14.7179 14.7179 k =-0.0419 0.0490 0.0645 ( 1535 PWs) bands (ev): -25.5778 -25.5778 -12.3524 -12.3524 -8.3019 -8.3019 -7.2085 -7.2085 -7.1008 -7.1008 -0.2793 -0.2793 2.1934 2.1934 3.3864 3.3864 3.4198 3.4198 8.7963 8.7963 8.8523 8.8523 12.0310 12.0310 12.3786 12.3786 14.6770 14.6770 k =-0.0359 0.0420 0.0553 ( 1535 PWs) bands (ev): -25.5786 -25.5786 -12.3488 -12.3488 -8.3028 -8.3028 -7.2098 -7.2098 -7.0997 -7.0997 -0.2765 -0.2765 2.1930 2.1930 3.3988 3.3988 3.4327 3.4327 8.7986 8.7986 8.8410 8.8410 11.9951 11.9951 12.3355 12.3355 14.6412 14.6412 k =-0.0299 0.0350 0.0461 ( 1537 PWs) bands (ev): -25.5792 -25.5792 -12.3457 -12.3457 -8.3035 -8.3035 -7.2110 -7.2110 -7.0989 -7.0989 -0.2740 -0.2740 2.1925 2.1925 3.4096 3.4096 3.4439 3.4439 8.8006 8.8006 8.8316 8.8316 11.9646 11.9646 12.2987 12.2987 14.6107 14.6107 k =-0.0240 0.0280 0.0369 ( 1537 PWs) bands (ev): -25.5797 -25.5797 -12.3432 -12.3432 -8.3042 -8.3042 -7.2119 -7.2119 -7.0981 -7.0981 -0.2720 -0.2720 2.1921 2.1921 3.4185 3.4185 3.4533 3.4533 8.8020 8.8020 8.8242 8.8242 11.9394 11.9394 12.2684 12.2684 14.5856 14.5856 k =-0.0180 0.0210 0.0276 ( 1541 PWs) bands (ev): -25.5801 -25.5801 -12.3412 -12.3412 -8.3047 -8.3047 -7.2127 -7.2127 -7.0976 -7.0976 -0.2705 -0.2705 2.1917 2.1917 3.4255 3.4255 3.4606 3.4606 8.8026 8.8026 8.8190 8.8190 11.9198 11.9198 12.2447 12.2447 14.5659 14.5659 k =-0.0120 0.0140 0.0184 ( 1537 PWs) bands (ev): -25.5804 -25.5804 -12.3398 -12.3398 -8.3050 -8.3050 -7.2132 -7.2132 -7.0972 -7.0972 -0.2693 -0.2693 2.1914 2.1914 3.4307 3.4307 3.4660 3.4660 8.8023 8.8023 8.8160 8.8160 11.9058 11.9058 12.2277 12.2277 14.5519 14.5519 k =-0.0060 0.0070 0.0092 ( 1533 PWs) bands (ev): -25.5806 -25.5806 -12.3389 -12.3389 -8.3052 -8.3052 -7.2135 -7.2135 -7.0969 -7.0969 -0.2687 -0.2687 2.1912 2.1912 3.4338 3.4338 3.4693 3.4693 8.8017 8.8017 8.8147 8.8147 11.8973 11.8973 12.2175 12.2175 14.5434 14.5434 k = 0.0000 0.0000 0.0000 ( 1533 PWs) bands (ev): -25.5807 -25.5807 -12.3386 -12.3386 -8.3053 -8.3053 -7.2137 -7.2137 -7.0968 -7.0968 -0.2684 -0.2684 2.1911 2.1911 3.4348 3.4348 3.4704 3.4704 8.8014 8.8014 8.8143 8.8143 11.8945 11.8945 12.2141 12.2141 14.5406 14.5406 k = 0.0000 0.0000 0.0000 ( 1533 PWs) bands (ev): -25.5807 -25.5807 -12.3386 -12.3386 -8.3053 -8.3053 -7.2137 -7.2137 -7.0968 -7.0968 -0.2684 -0.2684 2.1911 2.1911 3.4348 3.4348 3.4704 3.4704 8.8014 8.8014 8.8143 8.8143 11.8945 11.8945 12.2141 12.2141 14.5406 14.5406 k = 0.0100 0.0085-0.0000 ( 1533 PWs) bands (ev): -25.5806 -25.5806 -12.3387 -12.3387 -8.3054 -8.3054 -7.2138 -7.2138 -7.0970 -7.0970 -0.2725 -0.2725 2.1970 2.1970 3.4345 3.4345 3.4700 3.4700 8.8038 8.8038 8.8166 8.8166 11.8922 11.8922 12.2152 12.2152 14.5412 14.5412 k = 0.0200 0.0171-0.0000 ( 1533 PWs) bands (ev): -25.5805 -25.5805 -12.3388 -12.3388 -8.3057 -8.3057 -7.2142 -7.2142 -7.0976 -7.0976 -0.2846 -0.2846 2.2146 2.2146 3.4333 3.4333 3.4689 3.4689 8.8107 8.8107 8.8236 8.8236 11.8853 11.8853 12.2186 12.2186 14.5433 14.5433 k = 0.0300 0.0256 0.0000 ( 1517 PWs) bands (ev): -25.5803 -25.5803 -12.3390 -12.3390 -8.3063 -8.3063 -7.2148 -7.2148 -7.0985 -7.0985 -0.3043 -0.3043 2.2434 2.2434 3.4314 3.4314 3.4671 3.4671 8.8223 8.8223 8.8353 8.8353 11.8740 11.8740 12.2242 12.2242 14.5467 14.5467 k = 0.0400 0.0342-0.0000 ( 1525 PWs) bands (ev): -25.5800 -25.5800 -12.3393 -12.3393 -8.3071 -8.3071 -7.2158 -7.2158 -7.0998 -7.0998 -0.3307 -0.3307 2.2824 2.2824 3.4287 3.4287 3.4646 3.4646 8.8384 8.8384 8.8514 8.8514 11.8582 11.8582 12.2320 12.2320 14.5514 14.5514 k = 0.0500 0.0427-0.0000 ( 1525 PWs) bands (ev): -25.5796 -25.5796 -12.3398 -12.3398 -8.3081 -8.3081 -7.2169 -7.2169 -7.1015 -7.1015 -0.3630 -0.3630 2.3307 2.3307 3.4254 3.4254 3.4614 3.4614 8.8590 8.8590 8.8721 8.8721 11.8383 11.8383 12.2420 12.2420 14.5575 14.5575 k = 0.0600 0.0513 0.0000 ( 1521 PWs) bands (ev): -25.5791 -25.5791 -12.3402 -12.3402 -8.3094 -8.3094 -7.2184 -7.2184 -7.1037 -7.1037 -0.4001 -0.4001 2.3873 2.3873 3.4213 3.4213 3.4576 3.4576 8.8839 8.8839 8.8971 8.8971 11.8144 11.8144 12.2542 12.2542 14.5648 14.5648 k = 0.0700 0.0598-0.0000 ( 1525 PWs) bands (ev): -25.5786 -25.5786 -12.3408 -12.3408 -8.3110 -8.3110 -7.2200 -7.2200 -7.1063 -7.1063 -0.4408 -0.4408 2.4509 2.4509 3.4166 3.4166 3.4531 3.4531 8.9132 8.9132 8.9265 8.9265 11.7868 11.7868 12.2685 12.2685 14.5735 14.5735 k = 0.0800 0.0684-0.0000 ( 1525 PWs) bands (ev): -25.5779 -25.5779 -12.3414 -12.3414 -8.3128 -8.3128 -7.2220 -7.2220 -7.1095 -7.1095 -0.4843 -0.4843 2.5202 2.5202 3.4114 3.4114 3.4481 3.4481 8.9466 8.9466 8.9600 8.9600 11.7557 11.7557 12.2849 12.2849 14.5835 14.5835 k = 0.0900 0.0769 0.0000 ( 1525 PWs) bands (ev): -25.5772 -25.5772 -12.3420 -12.3420 -8.3149 -8.3149 -7.2241 -7.2241 -7.1134 -7.1134 -0.5294 -0.5294 2.5943 2.5943 3.4056 3.4056 3.4427 3.4427 8.9841 8.9841 8.9976 8.9976 11.7215 11.7215 12.3033 12.3033 14.5947 14.5947 k = 0.1000 0.0855-0.0000 ( 1525 PWs) bands (ev): -25.5764 -25.5764 -12.3426 -12.3426 -8.3172 -8.3172 -7.2265 -7.2265 -7.1178 -7.1178 -0.5752 -0.5752 2.6721 2.6721 3.3994 3.3994 3.4368 3.4368 9.0255 9.0255 9.0392 9.0392 11.6845 11.6845 12.3238 12.3238 14.6071 14.6071 k = 0.1100 0.0940 0.0000 ( 1525 PWs) bands (ev): -25.5756 -25.5756 -12.3432 -12.3432 -8.3199 -8.3199 -7.2291 -7.2291 -7.1230 -7.1230 -0.6209 -0.6209 2.7525 2.7525 3.3928 3.3928 3.4305 3.4305 9.0705 9.0705 9.0844 9.0844 11.6450 11.6450 12.3461 12.3461 14.6208 14.6208 k = 0.1200 0.1026 0.0000 ( 1525 PWs) bands (ev): -25.5746 -25.5746 -12.3438 -12.3438 -8.3229 -8.3229 -7.2318 -7.2318 -7.1289 -7.1289 -0.6658 -0.6658 2.8346 2.8346 3.3858 3.3858 3.4238 3.4238 9.1192 9.1192 9.1332 9.1332 11.6034 11.6034 12.3702 12.3702 14.6355 14.6355 k = 0.1300 0.1111-0.0000 ( 1533 PWs) bands (ev): -25.5737 -25.5737 -12.3443 -12.3443 -8.3262 -8.3262 -7.2348 -7.2348 -7.1356 -7.1356 -0.7093 -0.7093 2.9175 2.9175 3.3786 3.3786 3.4169 3.4169 9.1710 9.1710 9.1852 9.1852 11.5598 11.5598 12.3961 12.3961 14.6514 14.6514 k = 0.1400 0.1197-0.0000 ( 1533 PWs) bands (ev): -25.5726 -25.5726 -12.3448 -12.3448 -8.3299 -8.3299 -7.2380 -7.2380 -7.1432 -7.1432 -0.7507 -0.7507 3.0004 3.0004 3.3713 3.3713 3.4098 3.4098 9.2261 9.2261 9.2404 9.2404 11.5147 11.5147 12.4237 12.4237 14.6684 14.6684 k = 0.1500 0.1282 0.0000 ( 1533 PWs) bands (ev): -25.5715 -25.5715 -12.3451 -12.3451 -8.3339 -8.3339 -7.2413 -7.2413 -7.1517 -7.1517 -0.7896 -0.7896 3.0825 3.0825 3.3640 3.3640 3.4025 3.4025 9.2841 9.2841 9.2986 9.2986 11.4683 11.4683 12.4528 12.4528 14.6864 14.6864 k = 0.1600 0.1368-0.0000 ( 1537 PWs) bands (ev): -25.5704 -25.5704 -12.3454 -12.3454 -8.3383 -8.3383 -7.2448 -7.2448 -7.1610 -7.1610 -0.8256 -0.8256 3.1627 3.1627 3.3572 3.3572 3.3951 3.3951 9.3446 9.3446 9.3594 9.3594 11.4209 11.4209 12.4833 12.4833 14.7054 14.7054 k = 0.1700 0.1453 0.0000 ( 1537 PWs) bands (ev): -25.5692 -25.5692 -12.3456 -12.3456 -8.3430 -8.3430 -7.2484 -7.2484 -7.1714 -7.1714 -0.8583 -0.8583 3.2393 3.2393 3.3520 3.3520 3.3877 3.3877 9.4077 9.4077 9.4226 9.4226 11.3728 11.3728 12.5152 12.5152 14.7253 14.7253 k = 0.1800 0.1539 0.0000 ( 1537 PWs) bands (ev): -25.5679 -25.5679 -12.3455 -12.3455 -8.3482 -8.3482 -7.2522 -7.2522 -7.1826 -7.1826 -0.8875 -0.8875 3.3029 3.3029 3.3572 3.3572 3.3803 3.3803 9.4729 9.4729 9.4880 9.4880 11.3241 11.3241 12.5482 12.5482 14.7461 14.7461 k = 0.1900 0.1624-0.0000 ( 1533 PWs) bands (ev): -25.5666 -25.5666 -12.3454 -12.3454 -8.3537 -8.3537 -7.2560 -7.2560 -7.1948 -7.1948 -0.9130 -0.9130 3.3205 3.3205 3.3729 3.3729 3.4055 3.4055 9.5401 9.5401 9.5554 9.5554 11.2753 11.2753 12.5823 12.5823 14.7677 14.7677 k = 0.2000 0.1710-0.0000 ( 1533 PWs) bands (ev): -25.5653 -25.5653 -12.3450 -12.3450 -8.3596 -8.3596 -7.2600 -7.2600 -7.2080 -7.2080 -0.9345 -0.9345 3.3169 3.3169 3.3656 3.3656 3.4715 3.4715 9.6088 9.6088 9.6243 9.6243 11.2264 11.2264 12.6174 12.6174 14.7900 14.7900 k = 0.2100 0.1795 0.0000 ( 1529 PWs) bands (ev): -25.5640 -25.5640 -12.3445 -12.3445 -8.3659 -8.3659 -7.2640 -7.2640 -7.2220 -7.2220 -0.9521 -0.9521 3.3106 3.3106 3.3585 3.3585 3.5364 3.5364 9.6789 9.6789 9.6945 9.6945 11.1777 11.1777 12.6534 12.6534 14.8130 14.8130 k = 0.2200 0.1880 0.0000 ( 1529 PWs) bands (ev): -25.5626 -25.5626 -12.3438 -12.3438 -8.3726 -8.3726 -7.2681 -7.2681 -7.2369 -7.2369 -0.9655 -0.9655 3.3036 3.3036 3.3515 3.3515 3.5977 3.5977 9.7500 9.7500 9.7658 9.7658 11.1294 11.1294 12.6900 12.6900 14.8366 14.8366 k = 0.2300 0.1966 0.0000 ( 1525 PWs) bands (ev): -25.5612 -25.5612 -12.3429 -12.3429 -8.3797 -8.3797 -7.2722 -7.2722 -7.2525 -7.2525 -0.9748 -0.9748 3.2966 3.2966 3.3448 3.3448 3.6548 3.6548 9.8218 9.8218 9.8378 9.8378 11.0816 11.0816 12.7273 12.7273 14.8607 14.8607 k = 0.2400 0.2051 0.0000 ( 1525 PWs) bands (ev): -25.5599 -25.5599 -12.3417 -12.3417 -8.3872 -8.3872 -7.2764 -7.2764 -7.2689 -7.2689 -0.9801 -0.9801 3.2896 3.2896 3.3383 3.3383 3.7070 3.7070 9.8940 9.8940 9.9102 9.9102 11.0345 11.0345 12.7652 12.7652 14.8852 14.8852 k = 0.2500 0.2137 0.0000 ( 1525 PWs) bands (ev): -25.5585 -25.5585 -12.3404 -12.3404 -8.3950 -8.3950 -7.2860 -7.2860 -7.2806 -7.2806 -0.9814 -0.9814 3.2827 3.2827 3.3320 3.3320 3.7541 3.7541 9.9664 9.9664 9.9826 9.9826 10.9882 10.9882 12.8036 12.8036 14.9101 14.9101 k = 0.2600 0.2222-0.0000 ( 1517 PWs) bands (ev): -25.5571 -25.5571 -12.3389 -12.3389 -8.4033 -8.4033 -7.3035 -7.3035 -7.2848 -7.2848 -0.9787 -0.9787 3.2762 3.2762 3.3260 3.3260 3.7961 3.7961 10.0386 10.0386 10.0550 10.0550 10.9429 10.9429 12.8424 12.8424 14.9352 14.9352 k = 0.2700 0.2308-0.0000 ( 1513 PWs) bands (ev): -25.5557 -25.5557 -12.3372 -12.3372 -8.4118 -8.4118 -7.3215 -7.3215 -7.2889 -7.2889 -0.9723 -0.9723 3.2698 3.2698 3.3203 3.3203 3.8326 3.8326 10.1102 10.1102 10.1267 10.1267 10.8987 10.8987 12.8817 12.8817 14.9604 14.9604 k = 0.2800 0.2393-0.0000 ( 1517 PWs) bands (ev): -25.5543 -25.5543 -12.3353 -12.3353 -8.4207 -8.4207 -7.3398 -7.3398 -7.2931 -7.2931 -0.9624 -0.9624 3.2638 3.2638 3.3149 3.3149 3.8635 3.8635 10.1809 10.1809 10.1975 10.1975 10.8558 10.8558 12.9214 12.9214 14.9858 14.9858 k = 0.2900 0.2479 0.0000 ( 1496 PWs) bands (ev): -25.5529 -25.5529 -12.3332 -12.3332 -8.4299 -8.4299 -7.3583 -7.3583 -7.2972 -7.2972 -0.9491 -0.9491 3.2582 3.2582 3.3100 3.3100 3.8893 3.8893 10.2505 10.2505 10.2671 10.2671 10.8141 10.8141 12.9616 12.9616 15.0111 15.0111 k = 0.3000 0.2564 0.0000 ( 1504 PWs) bands (ev): -25.5516 -25.5516 -12.3310 -12.3310 -8.4393 -8.4393 -7.3768 -7.3768 -7.3012 -7.3012 -0.9327 -0.9327 3.2528 3.2528 3.3052 3.3052 3.9096 3.9096 10.3185 10.3185 10.3352 10.3352 10.7739 10.7739 13.0021 13.0021 15.0362 15.0362 k = 0.3100 0.2650 0.0000 ( 1504 PWs) bands (ev): -25.5503 -25.5503 -12.3286 -12.3286 -8.4490 -8.4490 -7.3953 -7.3953 -7.3051 -7.3051 -0.9135 -0.9135 3.2477 3.2477 3.3007 3.3007 3.9249 3.9249 10.3847 10.3847 10.4014 10.4014 10.7352 10.7352 13.0431 13.0431 15.0611 15.0611 k = 0.3200 0.2735-0.0000 ( 1504 PWs) bands (ev): -25.5490 -25.5490 -12.3260 -12.3260 -8.4588 -8.4588 -7.4135 -7.4135 -7.3089 -7.3089 -0.8918 -0.8918 3.2429 3.2429 3.2966 3.2966 3.9353 3.9353 10.4488 10.4488 10.4655 10.4655 10.6981 10.6981 13.0845 13.0845 15.0856 15.0856 k = 0.3300 0.2821 0.0000 ( 1504 PWs) bands (ev): -25.5478 -25.5478 -12.3234 -12.3234 -8.4688 -8.4688 -7.4315 -7.4315 -7.3127 -7.3127 -0.8679 -0.8679 3.2385 3.2385 3.2928 3.2928 3.9411 3.9411 10.5106 10.5106 10.5272 10.5272 10.6626 10.6626 13.1261 13.1261 15.1097 15.1097 k = 0.3400 0.2906 0.0000 ( 1500 PWs) bands (ev): -25.5466 -25.5466 -12.3207 -12.3207 -8.4788 -8.4788 -7.4490 -7.4490 -7.3163 -7.3163 -0.8421 -0.8421 3.2344 3.2344 3.2893 3.2893 3.9427 3.9427 10.5697 10.5697 10.5862 10.5862 10.6290 10.6290 13.1681 13.1681 15.1332 15.1332 k = 0.3500 0.2992 0.0000 ( 1508 PWs) bands (ev): -25.5454 -25.5454 -12.3180 -12.3180 -8.4888 -8.4888 -7.4659 -7.4659 -7.3197 -7.3197 -0.8149 -0.8149 3.2306 3.2306 3.2860 3.2860 3.9404 3.9404 10.5966 10.5966 10.6260 10.6260 10.6427 10.6427 13.2101 13.2101 15.1559 15.1559 k = 0.3600 0.3077 0.0000 ( 1508 PWs) bands (ev): -25.5443 -25.5443 -12.3152 -12.3152 -8.4987 -8.4987 -7.4822 -7.4822 -7.3230 -7.3230 -0.7866 -0.7866 3.2271 3.2271 3.2831 3.2831 3.9347 3.9347 10.5666 10.5666 10.6792 10.6792 10.6958 10.6958 13.2521 13.2521 15.1779 15.1779 k = 0.3700 0.3163 0.0000 ( 1508 PWs) bands (ev): -25.5433 -25.5433 -12.3124 -12.3124 -8.5084 -8.5084 -7.4977 -7.4977 -7.3261 -7.3261 -0.7576 -0.7576 3.2239 3.2239 3.2804 3.2804 3.9261 3.9261 10.5384 10.5384 10.7292 10.7292 10.7456 10.7456 13.2939 13.2939 15.1990 15.1990 k = 0.3800 0.3248-0.0000 ( 1508 PWs) bands (ev): -25.5423 -25.5423 -12.3097 -12.3097 -8.5179 -8.5179 -7.5124 -7.5124 -7.3291 -7.3291 -0.7285 -0.7285 3.2211 3.2211 3.2780 3.2780 3.9152 3.9152 10.5121 10.5121 10.7758 10.7758 10.7921 10.7921 13.3351 13.3351 15.2190 15.2190 k = 0.3900 0.3334-0.0000 ( 1508 PWs) bands (ev): -25.5414 -25.5414 -12.3070 -12.3070 -8.5271 -8.5271 -7.5262 -7.5262 -7.3319 -7.3319 -0.6994 -0.6994 3.2185 3.2185 3.2759 3.2759 3.9023 3.9023 10.4877 10.4877 10.8188 10.8188 10.8351 10.8351 13.3754 13.3754 15.2378 15.2378 k = 0.4000 0.3419-0.0000 ( 1508 PWs) bands (ev): -25.5405 -25.5405 -12.3045 -12.3045 -8.5358 -8.5358 -7.5389 -7.5389 -7.3344 -7.3344 -0.6711 -0.6711 3.2163 3.2163 3.2740 3.2740 3.8881 3.8881 10.4654 10.4654 10.8583 10.8583 10.8744 10.8744 13.4146 13.4146 15.2555 15.2555 k = 0.4100 0.3505 0.0000 ( 1508 PWs) bands (ev): -25.5398 -25.5398 -12.3020 -12.3020 -8.5441 -8.5441 -7.5506 -7.5506 -7.3367 -7.3367 -0.6437 -0.6437 3.2142 3.2142 3.2723 3.2723 3.8732 3.8732 10.4451 10.4451 10.8941 10.8941 10.9100 10.9100 13.4521 13.4521 15.2718 15.2718 k = 0.4200 0.3590 0.0000 ( 1508 PWs) bands (ev): -25.5390 -25.5390 -12.2998 -12.2998 -8.5517 -8.5517 -7.5612 -7.5612 -7.3389 -7.3389 -0.6179 -0.6179 3.2125 3.2125 3.2708 3.2708 3.8580 3.8580 10.4268 10.4268 10.9261 10.9261 10.9419 10.9419 13.4875 13.4875 15.2866 15.2866 k = 0.4300 0.3675 0.0000 ( 1508 PWs) bands (ev): -25.5384 -25.5384 -12.2977 -12.2977 -8.5587 -8.5587 -7.5706 -7.5706 -7.3408 -7.3408 -0.5939 -0.5939 3.2110 3.2110 3.2696 3.2696 3.8432 3.8432 10.4107 10.4107 10.9543 10.9543 10.9701 10.9701 13.5204 13.5204 15.3000 15.3000 k = 0.4400 0.3761 0.0000 ( 1508 PWs) bands (ev): -25.5379 -25.5379 -12.2958 -12.2958 -8.5649 -8.5649 -7.5788 -7.5788 -7.3424 -7.3424 -0.5723 -0.5723 3.2097 3.2097 3.2685 3.2685 3.8292 3.8292 10.3966 10.3966 10.9788 10.9788 10.9944 10.9944 13.5502 13.5502 15.3117 15.3117 k = 0.4500 0.3846 0.0000 ( 1500 PWs) bands (ev): -25.5374 -25.5374 -12.2942 -12.2942 -8.5703 -8.5703 -7.5858 -7.5858 -7.3438 -7.3438 -0.5532 -0.5532 3.2088 3.2088 3.2677 3.2677 3.8164 3.8164 10.3847 10.3847 10.9995 10.9995 11.0151 11.0151 13.5765 13.5765 15.3217 15.3217 k = 0.4600 0.3932 0.0000 ( 1500 PWs) bands (ev): -25.5370 -25.5370 -12.2928 -12.2928 -8.5748 -8.5748 -7.5916 -7.5916 -7.3450 -7.3450 -0.5372 -0.5372 3.2079 3.2079 3.2670 3.2670 3.8054 3.8054 10.3749 10.3749 11.0164 11.0164 11.0319 11.0319 13.5988 13.5988 15.3300 15.3300 k = 0.4700 0.4017 0.0000 ( 1500 PWs) bands (ev): -25.5367 -25.5367 -12.2917 -12.2917 -8.5784 -8.5784 -7.5961 -7.5961 -7.3459 -7.3459 -0.5244 -0.5244 3.2073 3.2073 3.2665 3.2665 3.7964 3.7964 10.3673 10.3673 11.0295 11.0295 11.0449 11.0449 13.6166 13.6166 15.3366 15.3366 k = 0.4800 0.4103 0.0000 ( 1492 PWs) bands (ev): -25.5365 -25.5365 -12.2909 -12.2909 -8.5809 -8.5809 -7.5993 -7.5993 -7.3465 -7.3465 -0.5151 -0.5151 3.2069 3.2069 3.2661 3.2661 3.7899 3.7899 10.3619 10.3619 11.0391 11.0391 11.0544 11.0544 13.6296 13.6296 15.3412 15.3412 k = 0.4900 0.4188 0.0000 ( 1492 PWs) bands (ev): -25.5363 -25.5363 -12.2905 -12.2905 -8.5825 -8.5825 -7.6012 -7.6012 -7.3469 -7.3469 -0.5094 -0.5094 3.2066 3.2066 3.2659 3.2659 3.7858 3.7858 10.3586 10.3586 11.0447 11.0447 11.0600 11.0600 13.6375 13.6375 15.3441 15.3441 k = 0.5000 0.4274 0.0000 ( 1500 PWs) bands (ev): -25.5363 -25.5363 -12.2903 -12.2903 -8.5830 -8.5830 -7.6019 -7.6019 -7.3471 -7.3471 -0.5076 -0.5076 3.2065 3.2065 3.2658 3.2658 3.7843 3.7843 10.3575 10.3575 11.0465 11.0465 11.0618 11.0618 13.6401 13.6401 15.3450 15.3450 k = 0.5000 0.4274 0.0000 ( 1500 PWs) bands (ev): -25.5363 -25.5363 -12.2903 -12.2903 -8.5830 -8.5830 -7.6019 -7.6019 -7.3471 -7.3471 -0.5076 -0.5076 3.2065 3.2065 3.2658 3.2658 3.7843 3.7843 10.3575 10.3575 11.0465 11.0465 11.0618 11.0618 13.6401 13.6401 15.3450 15.3450 k = 0.4941 0.4343 0.0090 ( 1496 PWs) bands (ev): -25.5363 -25.5363 -12.2906 -12.2906 -8.5828 -8.5828 -7.6016 -7.6016 -7.3469 -7.3469 -0.5076 -0.5076 3.2053 3.2053 3.2646 3.2646 3.7841 3.7841 10.3605 10.3605 11.0456 11.0456 11.0609 11.0609 13.6436 13.6436 15.3473 15.3473 k = 0.4882 0.4411 0.0181 ( 1496 PWs) bands (ev): -25.5362 -25.5362 -12.2916 -12.2916 -8.5821 -8.5821 -7.6008 -7.6008 -7.3463 -7.3463 -0.5078 -0.5078 3.2018 3.2018 3.2610 3.2610 3.7834 3.7834 10.3694 10.3694 11.0425 11.0425 11.0585 11.0585 13.6540 13.6540 15.3543 15.3543 k = 0.4824 0.4480 0.0271 ( 1496 PWs) bands (ev): -25.5361 -25.5361 -12.2932 -12.2932 -8.5809 -8.5809 -7.5995 -7.5995 -7.3454 -7.3454 -0.5080 -0.5080 3.1959 3.1959 3.2550 3.2550 3.7821 3.7821 10.3842 10.3842 11.0367 11.0367 11.0552 11.0552 13.6712 13.6712 15.3659 15.3659 k = 0.4765 0.4549 0.0362 ( 1500 PWs) bands (ev): -25.5359 -25.5359 -12.2954 -12.2954 -8.5792 -8.5792 -7.5977 -7.5977 -7.3441 -7.3441 -0.5084 -0.5084 3.1874 3.1874 3.2470 3.2470 3.7802 3.7802 10.4050 10.4050 11.0276 11.0276 11.0514 11.0514 13.6953 13.6953 15.3820 15.3820 k = 0.4706 0.4618 0.0452 ( 1504 PWs) bands (ev): -25.5356 -25.5356 -12.2982 -12.2982 -8.5771 -8.5771 -7.5953 -7.5953 -7.3425 -7.3425 -0.5088 -0.5088 3.1762 3.1762 3.2371 3.2371 3.7778 3.7778 10.4315 10.4315 11.0152 11.0152 11.0474 11.0474 13.7261 13.7261 15.4027 15.4027 k = 0.4647 0.4686 0.0543 ( 1508 PWs) bands (ev): -25.5353 -25.5353 -12.3016 -12.3016 -8.5745 -8.5745 -7.5925 -7.5925 -7.3405 -7.3405 -0.5094 -0.5094 3.1623 3.1623 3.2257 3.2257 3.7748 3.7748 10.4638 10.4638 10.9996 10.9996 11.0429 11.0429 13.7635 13.7635 15.4278 15.4278 k = 0.4589 0.4755 0.0633 ( 1508 PWs) bands (ev): -25.5350 -25.5350 -12.3056 -12.3056 -8.5715 -8.5715 -7.5891 -7.5891 -7.3381 -7.3381 -0.5100 -0.5100 3.1456 3.1456 3.2130 3.2130 3.7713 3.7713 10.5019 10.5019 10.9810 10.9810 11.0379 11.0379 13.8074 13.8074 15.4571 15.4571 k = 0.4530 0.4824 0.0724 ( 1516 PWs) bands (ev): -25.5346 -25.5346 -12.3101 -12.3101 -8.5680 -8.5680 -7.5852 -7.5852 -7.3355 -7.3355 -0.5107 -0.5107 3.1261 3.1261 3.1992 3.1992 3.7671 3.7671 10.5455 10.5455 10.9594 10.9594 11.0321 11.0321 13.8577 13.8577 15.4906 15.4906 k = 0.4471 0.4893 0.0814 ( 1516 PWs) bands (ev): -25.5342 -25.5342 -12.3151 -12.3151 -8.5641 -8.5641 -7.5809 -7.5809 -7.3324 -7.3324 -0.5115 -0.5115 3.1038 3.1038 3.1845 3.1845 3.7624 3.7624 10.5946 10.5946 10.9351 10.9351 11.0256 11.0256 13.9141 13.9141 15.5267 15.5267 k = 0.4412 0.4961 0.0904 ( 1520 PWs) bands (ev): -25.5337 -25.5337 -12.3206 -12.3206 -8.5598 -8.5598 -7.5761 -7.5761 -7.3291 -7.3291 -0.5124 -0.5124 3.0789 3.0789 3.1689 3.1689 3.7571 3.7571 10.6491 10.6491 10.9080 10.9080 11.0183 11.0183 13.9765 13.9765 15.4821 15.4821 k = 0.4354 0.5030 0.0995 ( 1524 PWs) bands (ev): -25.5332 -25.5332 -12.3266 -12.3266 -8.5551 -8.5551 -7.5708 -7.5708 -7.3255 -7.3255 -0.5133 -0.5133 3.0517 3.0517 3.1525 3.1525 3.7511 3.7511 10.7089 10.7089 10.8782 10.8782 11.0100 11.0100 14.0447 14.0447 15.4022 15.4022 k = 0.4295 0.5099 0.1085 ( 1524 PWs) bands (ev): -25.5327 -25.5327 -12.3331 -12.3331 -8.5501 -8.5501 -7.5651 -7.5651 -7.3216 -7.3216 -0.5142 -0.5142 3.0225 3.0225 3.1354 3.1354 3.7445 3.7445 10.7738 10.7738 10.8459 10.8459 11.0008 11.0008 14.1184 14.1184 15.3255 15.3255 k = 0.4236 0.5168 0.1176 ( 1528 PWs) bands (ev): -25.5321 -25.5321 -12.3399 -12.3399 -8.5446 -8.5446 -7.5589 -7.5589 -7.3174 -7.3174 -0.5152 -0.5152 2.9913 2.9913 3.1176 3.1176 3.7373 3.7373 10.8108 10.8108 10.8440 10.8440 10.9906 10.9906 14.1974 14.1974 15.2525 15.2525 k = 0.4177 0.5236 0.1266 ( 1528 PWs) bands (ev): -25.5315 -25.5315 -12.3471 -12.3471 -8.5388 -8.5388 -7.5524 -7.5524 -7.3130 -7.3130 -0.5162 -0.5162 2.9586 2.9586 3.0993 3.0993 3.7294 3.7294 10.7738 10.7738 10.9186 10.9186 10.9793 10.9793 14.2815 14.2815 15.1833 15.1833 k = 0.4118 0.5305 0.1357 ( 1528 PWs) bands (ev): -25.5309 -25.5309 -12.3546 -12.3546 -8.5327 -8.5327 -7.5454 -7.5454 -7.3083 -7.3083 -0.5172 -0.5172 2.9245 2.9245 3.0803 3.0803 3.7209 3.7209 10.7343 10.7343 10.9669 10.9669 10.9979 10.9979 14.3702 14.3702 15.1180 15.1180 k = 0.4060 0.5374 0.1447 ( 1528 PWs) bands (ev): -25.5303 -25.5303 -12.3624 -12.3624 -8.5263 -8.5263 -7.5381 -7.5381 -7.3034 -7.3034 -0.5181 -0.5181 2.8893 2.8893 3.0609 3.0609 3.7119 3.7119 10.6927 10.6927 10.9533 10.9533 11.0817 11.0817 14.4635 14.4635 15.0565 15.0565 k = 0.4001 0.5443 0.1538 ( 1522 PWs) bands (ev): -25.5297 -25.5297 -12.3704 -12.3704 -8.5196 -8.5196 -7.5304 -7.5304 -7.2983 -7.2983 -0.5191 -0.5191 2.8531 2.8531 3.0412 3.0412 3.7022 3.7022 10.6492 10.6492 10.9385 10.9385 11.1698 11.1698 14.5608 14.5608 14.9990 14.9990 k = 0.3942 0.5511 0.1628 ( 1518 PWs) bands (ev): -25.5291 -25.5291 -12.3786 -12.3786 -8.5127 -8.5127 -7.5223 -7.5223 -7.2930 -7.2930 -0.5200 -0.5200 2.8162 2.8162 3.0211 3.0211 3.6919 3.6919 10.6037 10.6037 10.9224 10.9224 11.2620 11.2620 14.6620 14.6620 14.9455 14.9455 k = 0.3883 0.5580 0.1718 ( 1514 PWs) bands (ev): -25.5284 -25.5284 -12.3870 -12.3870 -8.5055 -8.5055 -7.5139 -7.5139 -7.2876 -7.2876 -0.5209 -0.5209 2.7788 2.7788 3.0009 3.0009 3.6811 3.6811 10.5565 10.5565 10.9049 10.9049 11.3580 11.3580 14.7666 14.7666 14.8959 14.8959 k = 0.3825 0.5649 0.1809 ( 1518 PWs) bands (ev): -25.5278 -25.5278 -12.3955 -12.3955 -8.4981 -8.4981 -7.5053 -7.5053 -7.2820 -7.2820 -0.5217 -0.5217 2.7411 2.7411 2.9807 2.9807 3.6696 3.6696 10.5075 10.5075 10.8861 10.8861 11.4575 11.4575 14.8502 14.8502 14.8742 14.8742 k = 0.3766 0.5718 0.1899 ( 1518 PWs) bands (ev): -25.5272 -25.5272 -12.4040 -12.4040 -8.4905 -8.4905 -7.4963 -7.4963 -7.2763 -7.2763 -0.5225 -0.5225 2.7033 2.7033 2.9605 2.9605 3.6576 3.6576 10.4571 10.4571 10.8658 10.8658 11.5603 11.5603 14.8085 14.8085 14.9843 14.9843 k = 0.3707 0.5786 0.1990 ( 1518 PWs) bands (ev): -25.5266 -25.5266 -12.4126 -12.4126 -8.4827 -8.4827 -7.4871 -7.4871 -7.2705 -7.2705 -0.5231 -0.5231 2.6655 2.6655 2.9404 2.9404 3.6451 3.6451 10.4055 10.4055 10.8440 10.8440 11.6661 11.6661 14.7706 14.7706 15.0966 15.0966 k = 0.3648 0.5855 0.2080 ( 1522 PWs) bands (ev): -25.5261 -25.5261 -12.4211 -12.4211 -8.4748 -8.4748 -7.4777 -7.4777 -7.2647 -7.2647 -0.5236 -0.5236 2.6280 2.6280 2.9206 2.9206 3.6321 3.6321 10.3526 10.3526 10.8208 10.8208 11.7746 11.7746 14.7366 14.7366 15.2105 15.2105 k = 0.3590 0.5924 0.2171 ( 1522 PWs) bands (ev): -25.5256 -25.5256 -12.4296 -12.4296 -8.4669 -8.4669 -7.4680 -7.4680 -7.2588 -7.2588 -0.5240 -0.5240 2.5908 2.5908 2.9012 2.9012 3.6186 3.6186 10.2988 10.2988 10.7960 10.7960 11.8855 11.8855 14.7064 14.7064 15.3255 15.3255 k = 0.3531 0.5993 0.2261 ( 1520 PWs) bands (ev): -25.5251 -25.5251 -12.4379 -12.4379 -8.4588 -8.4588 -7.4582 -7.4582 -7.2529 -7.2529 -0.5242 -0.5242 2.5542 2.5542 2.8822 2.8822 3.6046 3.6046 10.2444 10.2444 10.7698 10.7699 11.9984 11.9984 14.6800 14.6800 15.4408 15.4408 k = 0.3472 0.6061 0.2352 ( 1518 PWs) bands (ev): -25.5246 -25.5246 -12.4461 -12.4461 -8.4506 -8.4506 -7.4482 -7.4482 -7.2469 -7.2469 -0.5243 -0.5243 2.5183 2.5183 2.8638 2.8638 3.5903 3.5903 10.1894 10.1894 10.7421 10.7421 12.1129 12.1129 14.6573 14.6573 15.5556 15.5556 k = 0.3413 0.6130 0.2442 ( 1518 PWs) bands (ev): -25.5242 -25.5242 -12.4541 -12.4541 -8.4425 -8.4425 -7.4381 -7.4381 -7.2411 -7.2411 -0.5242 -0.5242 2.4832 2.4832 2.8461 2.8461 3.5755 3.5755 10.1338 10.1338 10.7127 10.7127 12.2285 12.2285 14.6382 14.6382 15.6688 15.6688 k = 0.3413 0.6130 0.2442 ( 1518 PWs) bands (ev): -25.5242 -25.5242 -12.4541 -12.4541 -8.4425 -8.4425 -7.4381 -7.4381 -7.2411 -7.2411 -0.5242 -0.5242 2.4832 2.4832 2.8461 2.8461 3.5755 3.5755 10.1338 10.1338 10.7127 10.7127 12.2285 12.2285 14.6382 14.6382 15.6688 15.6688 k = 0.3300 0.6095 0.2489 ( 1521 PWs) bands (ev): -25.5241 -25.5241 -12.4583 -12.4583 -8.4380 -8.4380 -7.4324 -7.4324 -7.2380 -7.2380 -0.5257 -0.5257 2.4657 2.4657 2.8372 2.8372 3.5690 3.5690 10.1049 10.1049 10.6967 10.6967 12.2893 12.2893 14.6274 14.6274 15.7249 15.7249 k = 0.3186 0.6059 0.2536 ( 1518 PWs) bands (ev): -25.5239 -25.5239 -12.4625 -12.4625 -8.4331 -8.4331 -7.4260 -7.4260 -7.2348 -7.2348 -0.5303 -0.5303 2.4491 2.4491 2.8285 2.8285 3.5651 3.5651 10.0762 10.0762 10.6800 10.6800 12.3514 12.3514 14.6133 14.6133 15.7734 15.7734 k = 0.3072 0.6023 0.2583 ( 1518 PWs) bands (ev): -25.5239 -25.5239 -12.4668 -12.4668 -8.4277 -8.4277 -7.4189 -7.4189 -7.2316 -7.2316 -0.5379 -0.5379 2.4333 2.4333 2.8201 2.8201 3.5638 3.5638 10.0480 10.0480 10.6627 10.6627 12.4143 12.4143 14.5960 14.5960 15.7797 15.7797 k = 0.2958 0.5988 0.2629 ( 1518 PWs) bands (ev): -25.5238 -25.5238 -12.4712 -12.4712 -8.4219 -8.4219 -7.4112 -7.4112 -7.2283 -7.2283 -0.5487 -0.5487 2.4183 2.4183 2.8118 2.8118 3.5651 3.5651 10.0203 10.0203 10.6451 10.6451 12.4778 12.4778 14.5759 14.5759 15.7617 15.7617 k = 0.2844 0.5952 0.2676 ( 1517 PWs) bands (ev): -25.5238 -25.5238 -12.4757 -12.4757 -8.4158 -8.4158 -7.4028 -7.4028 -7.2250 -7.2250 -0.5624 -0.5624 2.4044 2.4044 2.8037 2.8037 3.5689 3.5689 9.9935 9.9935 10.6273 10.6273 12.5417 12.5417 14.5532 14.5532 15.7392 15.7392 k = 0.2731 0.5916 0.2723 ( 1521 PWs) bands (ev): -25.5238 -25.5238 -12.4802 -12.4802 -8.4093 -8.4093 -7.3939 -7.3939 -7.2216 -7.2216 -0.5789 -0.5789 2.3913 2.3913 2.7958 2.7958 3.5751 3.5751 9.9677 9.9677 10.6095 10.6095 12.6057 12.6057 14.5286 14.5286 15.7137 15.7137 k = 0.2617 0.5881 0.2770 ( 1519 PWs) bands (ev): -25.5239 -25.5239 -12.4847 -12.4847 -8.4026 -8.4026 -7.3843 -7.3843 -7.2182 -7.2182 -0.5980 -0.5980 2.3793 2.3793 2.7881 2.7881 3.5835 3.5835 9.9430 9.9430 10.5918 10.5918 12.6693 12.6693 14.5024 14.5024 15.6860 15.6860 k = 0.2503 0.5845 0.2817 ( 1519 PWs) bands (ev): -25.5240 -25.5240 -12.4893 -12.4893 -8.3957 -8.3957 -7.3744 -7.3744 -7.2148 -7.2148 -0.6194 -0.6194 2.3681 2.3681 2.7807 2.7807 3.5941 3.5941 9.9195 9.9195 10.5743 10.5743 12.7321 12.7321 14.4752 14.4752 15.6562 15.6562 k = 0.2389 0.5810 0.2864 ( 1517 PWs) bands (ev): -25.5241 -25.5241 -12.4938 -12.4938 -8.3886 -8.3886 -7.3640 -7.3640 -7.2115 -7.2115 -0.6430 -0.6430 2.3578 2.3578 2.7735 2.7735 3.6067 3.6067 9.8973 9.8973 10.5571 10.5571 12.7937 12.7937 14.4477 14.4477 15.6248 15.6248 k = 0.2276 0.5774 0.2911 ( 1517 PWs) bands (ev): -25.5242 -25.5242 -12.4983 -12.4983 -8.3815 -8.3815 -7.3532 -7.3532 -7.2081 -7.2081 -0.6685 -0.6685 2.3484 2.3484 2.7665 2.7665 3.6211 3.6211 9.8765 9.8765 10.5404 10.5404 12.8535 12.8535 14.4206 14.4206 15.5922 15.5922 k = 0.2162 0.5738 0.2957 ( 1515 PWs) bands (ev): -25.5243 -25.5243 -12.5027 -12.5027 -8.3743 -8.3743 -7.3421 -7.3421 -7.2048 -7.2048 -0.6955 -0.6955 2.3397 2.3397 2.7598 2.7598 3.6370 3.6370 9.8572 9.8572 10.5242 10.5242 12.9110 12.9110 14.3946 14.3946 15.5586 15.5586 k = 0.2048 0.5703 0.3004 ( 1517 PWs) bands (ev): -25.5245 -25.5245 -12.5071 -12.5071 -8.3671 -8.3671 -7.3309 -7.3309 -7.2015 -7.2015 -0.7236 -0.7236 2.3317 2.3317 2.7533 2.7533 3.6541 3.6541 9.8392 9.8392 10.5086 10.5086 12.9655 12.9655 14.3704 14.3704 15.5245 15.5245 k = 0.1934 0.5667 0.3051 ( 1518 PWs) bands (ev): -25.5247 -25.5247 -12.5113 -12.5113 -8.3600 -8.3600 -7.3195 -7.3195 -7.1983 -7.1983 -0.7527 -0.7527 2.3244 2.3244 2.7471 2.7471 3.6724 3.6724 9.8228 9.8228 10.4937 10.4937 13.0164 13.0164 14.3490 14.3490 15.4902 15.4902 k = 0.1820 0.5632 0.3098 ( 1518 PWs) bands (ev): -25.5249 -25.5249 -12.5155 -12.5155 -8.3530 -8.3530 -7.3080 -7.3080 -7.1952 -7.1952 -0.7823 -0.7823 2.3177 2.3177 2.7412 2.7412 3.6915 3.6915 9.8078 9.8078 10.4795 10.4795 13.0629 13.0629 14.3310 14.3310 15.4559 15.4559 k = 0.1707 0.5596 0.3145 ( 1518 PWs) bands (ev): -25.5250 -25.5250 -12.5195 -12.5195 -8.3461 -8.3461 -7.2967 -7.2967 -7.1921 -7.1921 -0.8121 -0.8121 2.3117 2.3117 2.7355 2.7355 3.7111 3.7111 9.7942 9.7942 10.4661 10.4661 13.1044 13.1044 14.3174 14.3174 15.4221 15.4221 k = 0.1593 0.5560 0.3192 ( 1518 PWs) bands (ev): -25.5252 -25.5252 -12.5234 -12.5234 -8.3395 -8.3395 -7.2854 -7.2854 -7.1892 -7.1892 -0.8418 -0.8418 2.3061 2.3061 2.7302 2.7302 3.7311 3.7311 9.7820 9.7820 10.4535 10.4535 13.1404 13.1404 14.3085 14.3085 15.3890 15.3890 k = 0.1479 0.5525 0.3239 ( 1519 PWs) bands (ev): -25.5254 -25.5254 -12.5271 -12.5271 -8.3331 -8.3331 -7.2744 -7.2744 -7.1863 -7.1863 -0.8710 -0.8710 2.3010 2.3010 2.7251 2.7251 3.7510 3.7510 9.7712 9.7712 10.4417 10.4417 13.1705 13.1705 14.3048 14.3048 15.3569 15.3569 k = 0.1365 0.5489 0.3285 ( 1519 PWs) bands (ev): -25.5256 -25.5256 -12.5306 -12.5306 -8.3271 -8.3271 -7.2638 -7.2638 -7.1836 -7.1836 -0.8995 -0.8995 2.2963 2.2963 2.7204 2.7204 3.7707 3.7707 9.7617 9.7617 10.4308 10.4308 13.1945 13.1945 14.3064 14.3064 15.3262 15.3262 k = 0.1252 0.5453 0.3332 ( 1519 PWs) bands (ev): -25.5258 -25.5258 -12.5339 -12.5339 -8.3214 -8.3214 -7.2536 -7.2536 -7.1809 -7.1809 -0.9269 -0.9269 2.2921 2.2921 2.7161 2.7161 3.7899 3.7899 9.7533 9.7533 10.4207 10.4207 13.2127 13.2127 14.3131 14.3131 15.2969 15.2969 k = 0.1138 0.5418 0.3379 ( 1518 PWs) bands (ev): -25.5260 -25.5260 -12.5369 -12.5369 -8.3160 -8.3160 -7.2440 -7.2440 -7.1784 -7.1784 -0.9529 -0.9529 2.2883 2.2883 2.7120 2.7120 3.8084 3.8084 9.7461 9.7461 10.4115 10.4115 13.2254 13.2254 14.3242 14.3242 15.2695 15.2695 k = 0.1024 0.5382 0.3426 ( 1518 PWs) bands (ev): -25.5261 -25.5261 -12.5398 -12.5398 -8.3111 -8.3111 -7.2350 -7.2350 -7.1759 -7.1759 -0.9773 -0.9773 2.2849 2.2849 2.7083 2.7083 3.8259 3.8259 9.7399 9.7399 10.4032 10.4032 13.2334 13.2334 14.3389 14.3389 15.2440 15.2440 k = 0.0910 0.5347 0.3473 ( 1520 PWs) bands (ev): -25.5263 -25.5263 -12.5423 -12.5423 -8.3066 -8.3066 -7.2268 -7.2268 -7.1736 -7.1736 -0.9998 -0.9998 2.2818 2.2818 2.7050 2.7050 3.8422 3.8422 9.7347 9.7347 10.3957 10.3957 13.2374 13.2374 14.3562 14.3562 15.2207 15.2207 k = 0.0796 0.5311 0.3520 ( 1520 PWs) bands (ev): -25.5264 -25.5264 -12.5447 -12.5447 -8.3026 -8.3026 -7.2195 -7.2195 -7.1714 -7.1714 -1.0203 -1.0203 2.2792 2.2792 2.7020 2.7020 3.8571 3.8571 9.7304 9.7304 10.3891 10.3891 13.2384 13.2384 14.3748 14.3748 15.1997 15.1997 k = 0.0683 0.5275 0.3567 ( 1518 PWs) bands (ev): -25.5266 -25.5266 -12.5467 -12.5467 -8.2991 -8.2991 -7.2130 -7.2130 -7.1694 -7.1694 -1.0384 -1.0384 2.2769 2.2769 2.6995 2.6995 3.8704 3.8704 9.7269 9.7269 10.3834 10.3834 13.2373 13.2373 14.3937 14.3937 15.1812 15.1812 k = 0.0569 0.5240 0.3613 ( 1517 PWs) bands (ev): -25.5267 -25.5267 -12.5484 -12.5484 -8.2961 -8.2961 -7.2076 -7.2076 -7.1675 -7.1675 -1.0541 -1.0541 2.2749 2.2749 2.6973 2.6973 3.8819 3.8819 9.7240 9.7240 10.3786 10.3786 13.2349 13.2349 14.4118 14.4118 15.1654 15.1654 k = 0.0455 0.5204 0.3660 ( 1513 PWs) bands (ev): -25.5267 -25.5267 -12.5498 -12.5498 -8.2936 -8.2936 -7.2032 -7.2032 -7.1659 -7.1659 -1.0671 -1.0671 2.2734 2.2734 2.6955 2.6955 3.8916 3.8916 9.7218 9.7218 10.3747 10.3747 13.2319 13.2319 14.4280 14.4280 15.1523 15.1523 k = 0.0341 0.5169 0.3707 ( 1515 PWs) bands (ev): -25.5268 -25.5268 -12.5509 -12.5509 -8.2916 -8.2916 -7.1998 -7.1998 -7.1645 -7.1645 -1.0774 -1.0774 2.2721 2.2721 2.6941 2.6941 3.8992 3.8992 9.7202 9.7202 10.3717 10.3717 13.2290 13.2290 14.4414 14.4414 15.1420 15.1420 k = 0.0228 0.5133 0.3754 ( 1522 PWs) bands (ev): -25.5269 -25.5269 -12.5517 -12.5517 -8.2902 -8.2902 -7.1974 -7.1974 -7.1634 -7.1634 -1.0848 -1.0848 2.2711 2.2711 2.6931 2.6931 3.9047 3.9047 9.7190 9.7190 10.3695 10.3695 13.2265 13.2265 14.4515 14.4515 15.1346 15.1346 k = 0.0114 0.5097 0.3801 ( 1520 PWs) bands (ev): -25.5269 -25.5269 -12.5522 -12.5522 -8.2894 -8.2894 -7.1960 -7.1960 -7.1627 -7.1627 -1.0892 -1.0892 2.2706 2.2706 2.6925 2.6925 3.9081 3.9081 9.7183 9.7183 10.3682 10.3682 13.2249 13.2249 14.4578 14.4578 15.1302 15.1302 k = 0.0000 0.5062 0.3848 ( 1518 PWs) bands (ev): -25.5269 -25.5269 -12.5524 -12.5524 -8.2891 -8.2891 -7.1955 -7.1955 -7.1625 -7.1625 -1.0907 -1.0907 2.2704 2.2704 2.6923 2.6923 3.9092 3.9092 9.7181 9.7181 10.3678 10.3678 13.2244 13.2244 14.4599 14.4599 15.1287 15.1287 k = 0.0000 0.5062 0.3848 ( 1518 PWs) bands (ev): -25.5269 -25.5269 -12.5524 -12.5524 -8.2891 -8.2891 -7.1955 -7.1955 -7.1625 -7.1625 -1.0907 -1.0907 2.2704 2.2704 2.6923 2.6923 3.9092 3.9092 9.7181 9.7181 10.3678 10.3678 13.2244 13.2244 14.4599 14.4599 15.1287 15.1287 k = 0.0060 0.4992 0.3939 ( 1520 PWs) bands (ev): -25.5269 -25.5269 -12.5521 -12.5521 -8.2895 -8.2895 -7.1958 -7.1958 -7.1631 -7.1631 -1.0905 -1.0905 2.2716 2.2716 2.6928 2.6928 3.9092 3.9092 9.7166 9.7166 10.3643 10.3643 13.2283 13.2283 14.4624 14.4624 15.1301 15.1301 k = 0.0119 0.4922 0.4031 ( 1520 PWs) bands (ev): -25.5268 -25.5268 -12.5513 -12.5513 -8.2907 -8.2907 -7.1967 -7.1967 -7.1650 -7.1650 -1.0896 -1.0896 2.2753 2.2753 2.6946 2.6946 3.9094 3.9094 9.7119 9.7119 10.3539 10.3539 13.2399 13.2399 14.4700 14.4700 15.1342 15.1342 k = 0.0179 0.4853 0.4122 ( 1520 PWs) bands (ev): -25.5266 -25.5266 -12.5498 -12.5498 -8.2927 -8.2927 -7.1983 -7.1983 -7.1680 -7.1680 -1.0883 -1.0883 2.2813 2.2813 2.6975 2.6975 3.9096 3.9096 9.7042 9.7042 10.3367 10.3367 13.2591 13.2591 14.4825 14.4825 15.1410 15.1410 k = 0.0238 0.4783 0.4214 ( 1516 PWs) bands (ev): -25.5263 -25.5263 -12.5479 -12.5479 -8.2954 -8.2954 -7.2005 -7.2005 -7.1720 -7.1720 -1.0864 -1.0864 2.2897 2.2897 2.7016 2.7016 3.9100 3.9100 9.6936 9.6936 10.3132 10.3132 13.2856 13.2856 14.5000 14.5000 15.1503 15.1503 k = 0.0298 0.4714 0.4306 ( 1518 PWs) bands (ev): -25.5260 -25.5260 -12.5454 -12.5454 -8.2989 -8.2989 -7.2036 -7.2036 -7.1769 -7.1769 -1.0840 -1.0840 2.3003 2.3003 2.7068 2.7068 3.9105 3.9105 9.6800 9.6800 10.2837 10.2837 13.3189 13.3189 14.5223 14.5223 15.1622 15.1622 k = 0.0357 0.4644 0.4397 ( 1514 PWs) bands (ev): -25.5256 -25.5256 -12.5423 -12.5423 -8.3032 -8.3032 -7.2079 -7.2079 -7.1823 -7.1823 -1.0810 -1.0810 2.3132 2.3132 2.7131 2.7131 3.9111 3.9111 9.6638 9.6638 10.2488 10.2488 13.3586 13.3586 14.5494 14.5494 15.1764 15.1764 k = 0.0417 0.4574 0.4489 ( 1516 PWs) bands (ev): -25.5252 -25.5252 -12.5387 -12.5387 -8.3082 -8.3082 -7.2136 -7.2136 -7.1878 -7.1878 -1.0776 -1.0776 2.3283 2.3283 2.7204 2.7204 3.9117 3.9117 9.6449 9.6449 10.2090 10.2090 13.4042 13.4042 14.5812 14.5812 15.1926 15.1926 k = 0.0476 0.4505 0.4581 ( 1518 PWs) bands (ev): -25.5247 -25.5247 -12.5346 -12.5346 -8.3140 -8.3140 -7.2210 -7.2210 -7.1931 -7.1931 -1.0737 -1.0737 2.3454 2.3454 2.7288 2.7288 3.9125 3.9125 9.6236 9.6236 10.1651 10.1651 13.4552 13.4552 14.6174 14.6174 15.2109 15.2109 k = 0.0536 0.4435 0.4672 ( 1514 PWs) bands (ev): -25.5241 -25.5241 -12.5301 -12.5301 -8.3205 -8.3205 -7.2303 -7.2303 -7.1980 -7.1980 -1.0694 -1.0694 2.3645 2.3645 2.7381 2.7381 3.9134 3.9134 9.6001 9.6001 10.1174 10.1174 13.5112 13.5112 14.6580 14.6580 15.2309 15.2309 k = 0.0595 0.4365 0.4764 ( 1514 PWs) bands (ev): -25.5235 -25.5235 -12.5250 -12.5250 -8.3276 -8.3276 -7.2412 -7.2412 -7.2025 -7.2025 -1.0646 -1.0646 2.3854 2.3854 2.7483 2.7483 3.9143 3.9143 9.5745 9.5745 10.0668 10.0668 13.5717 13.5717 14.7028 14.7028 15.2524 15.2524 k = 0.0655 0.4296 0.4855 ( 1514 PWs) bands (ev): -25.5228 -25.5228 -12.5195 -12.5195 -8.3354 -8.3354 -7.2535 -7.2535 -7.2068 -7.2068 -1.0595 -1.0595 2.4080 2.4080 2.7594 2.7594 3.9153 3.9153 9.5471 9.5471 10.0136 10.0136 13.6363 13.6363 14.7514 14.7514 15.2751 15.2751 k = 0.0714 0.4226 0.4947 ( 1508 PWs) bands (ev): -25.5221 -25.5221 -12.5136 -12.5136 -8.3439 -8.3439 -7.2671 -7.2671 -7.2109 -7.2109 -1.0539 -1.0539 2.4322 2.4322 2.7713 2.7713 3.9164 3.9164 9.5182 9.5182 9.9585 9.9585 13.7047 13.7047 14.8038 14.8038 15.2990 15.2990 k = 0.0774 0.4156 0.5039 ( 1508 PWs) bands (ev): -25.5213 -25.5213 -12.5073 -12.5073 -8.3529 -8.3529 -7.2817 -7.2817 -7.2150 -7.2150 -1.0481 -1.0481 2.4579 2.4579 2.7839 2.7839 3.9176 3.9176 9.4878 9.4878 9.9018 9.9018 13.7764 13.7764 14.8597 14.8597 15.3236 15.3236 k = 0.0833 0.4087 0.5130 ( 1504 PWs) bands (ev): -25.5205 -25.5205 -12.5007 -12.5007 -8.3625 -8.3625 -7.2972 -7.2972 -7.2190 -7.2190 -1.0419 -1.0419 2.4848 2.4848 2.7973 2.7973 3.9188 3.9188 9.4563 9.4563 9.8441 9.8441 13.8512 13.8512 14.9188 14.9188 15.3489 15.3489 k = 0.0893 0.4017 0.5222 ( 1506 PWs) bands (ev): -25.5197 -25.5197 -12.4937 -12.4937 -8.3727 -8.3727 -7.3134 -7.3134 -7.2229 -7.2229 -1.0355 -1.0355 2.5127 2.5127 2.8111 2.8111 3.9201 3.9201 9.4239 9.4239 9.7858 9.7858 13.9289 13.9289 14.9808 14.9808 15.3746 15.3746 k = 0.0952 0.3947 0.5313 ( 1508 PWs) bands (ev): -25.5188 -25.5188 -12.4864 -12.4864 -8.3833 -8.3833 -7.3303 -7.3303 -7.2268 -7.2268 -1.0288 -1.0288 2.5416 2.5416 2.8254 2.8254 3.9214 3.9214 9.3907 9.3907 9.7272 9.7272 14.0092 14.0092 15.0455 15.0455 15.4004 15.4004 k = 0.1012 0.3878 0.5405 ( 1510 PWs) bands (ev): -25.5179 -25.5179 -12.4788 -12.4788 -8.3943 -8.3943 -7.3477 -7.3477 -7.2306 -7.2306 -1.0220 -1.0220 2.5713 2.5713 2.8401 2.8401 3.9228 3.9228 9.3570 9.3570 9.6688 9.6688 14.0919 14.0919 15.1125 15.1125 15.4262 15.4262 k = 0.1071 0.3808 0.5497 ( 1512 PWs) bands (ev): -25.5169 -25.5169 -12.4711 -12.4711 -8.4056 -8.4056 -7.3655 -7.3655 -7.2344 -7.2344 -1.0150 -1.0150 2.6016 2.6016 2.8552 2.8552 3.9242 3.9242 9.3230 9.3230 9.6107 9.6107 14.1768 14.1768 15.1817 15.1817 15.4517 15.4517 k = 0.1131 0.3739 0.5588 ( 1510 PWs) bands (ev): -25.5160 -25.5160 -12.4631 -12.4631 -8.4173 -8.4173 -7.3835 -7.3835 -7.2380 -7.2380 -1.0078 -1.0078 2.6323 2.6323 2.8707 2.8707 3.9256 3.9256 9.2889 9.2889 9.5533 9.5533 14.2637 14.2637 15.2527 15.2527 15.4765 15.4765 k = 0.1190 0.3669 0.5680 ( 1510 PWs) bands (ev): -25.5151 -25.5151 -12.4550 -12.4550 -8.4292 -8.4292 -7.4018 -7.4018 -7.2416 -7.2416 -1.0006 -1.0006 2.6632 2.6632 2.8863 2.8863 3.9271 3.9271 9.2550 9.2550 9.4969 9.4969 14.3523 14.3523 15.3251 15.3251 15.5000 15.5000 k = 0.1250 0.3599 0.5771 ( 1514 PWs) bands (ev): -25.5141 -25.5141 -12.4469 -12.4469 -8.4413 -8.4413 -7.4201 -7.4201 -7.2450 -7.2450 -0.9934 -0.9934 2.6941 2.6941 2.9020 2.9020 3.9285 3.9285 9.2213 9.2213 9.4417 9.4417 14.4424 14.4424 15.3983 15.3983 15.5203 15.5203 k = 0.1310 0.3530 0.5863 ( 1512 PWs) bands (ev): -25.5131 -25.5131 -12.4386 -12.4386 -8.4535 -8.4535 -7.4384 -7.4384 -7.2482 -7.2482 -0.9861 -0.9861 2.7249 2.7249 2.9178 2.9178 3.9300 3.9300 9.1881 9.1881 9.3880 9.3880 14.5337 14.5337 15.4706 15.4706 15.5305 15.5305 k = 0.1369 0.3460 0.5955 ( 1518 PWs) bands (ev): -25.5122 -25.5122 -12.4304 -12.4304 -8.4657 -8.4657 -7.4565 -7.4565 -7.2514 -7.2514 -0.9789 -0.9789 2.7553 2.7553 2.9335 2.9335 3.9315 3.9315 9.1555 9.1555 9.3357 9.3357 14.6259 14.6259 15.5043 15.5043 15.5477 15.5477 k = 0.1429 0.3390 0.6046 ( 1516 PWs) bands (ev): -25.5112 -25.5112 -12.4222 -12.4222 -8.4778 -8.4778 -7.4744 -7.4744 -7.2543 -7.2543 -0.9718 -0.9718 2.7852 2.7852 2.9492 2.9492 3.9329 3.9329 9.1237 9.1237 9.2854 9.2854 14.7186 14.7186 15.4669 15.4669 15.5973 15.5973 k = 0.1488 0.3321 0.6138 ( 1512 PWs) bands (ev): -25.5103 -25.5103 -12.4141 -12.4141 -8.4899 -8.4899 -7.4919 -7.4919 -7.2571 -7.2571 -0.9648 -0.9648 2.8143 2.8143 2.9647 2.9647 3.9344 3.9344 9.0928 9.0928 9.2370 9.2370 14.8113 14.8113 15.4222 15.4222 15.6254 15.6254 k = 0.1548 0.3251 0.6230 ( 1510 PWs) bands (ev): -25.5094 -25.5094 -12.4061 -12.4061 -8.5017 -8.5017 -7.5091 -7.5091 -7.2597 -7.2597 -0.9579 -0.9579 2.8426 2.8426 2.9801 2.9801 3.9358 3.9358 9.0630 9.0630 9.1906 9.1906 14.9036 14.9036 15.3767 15.3767 15.6475 15.6475 k = 0.1607 0.3181 0.6321 ( 1508 PWs) bands (ev): -25.5085 -25.5085 -12.3983 -12.3983 -8.5134 -8.5134 -7.5257 -7.5257 -7.2621 -7.2621 -0.9513 -0.9513 2.8697 2.8697 2.9952 2.9952 3.9372 3.9372 9.0344 9.0344 9.1465 9.1465 14.9947 14.9947 15.3322 15.3322 15.6677 15.6677 k = 0.1667 0.3112 0.6413 ( 1508 PWs) bands (ev): -25.5077 -25.5077 -12.3908 -12.3908 -8.5246 -8.5246 -7.5416 -7.5416 -7.2644 -7.2644 -0.9448 -0.9448 2.8956 2.8956 3.0099 3.0099 3.9385 3.9385 9.0072 9.0072 9.1047 9.1047 15.0840 15.0840 15.2894 15.2894 15.6867 15.6867 k = 0.1726 0.3042 0.6504 ( 1512 PWs) bands (ev): -25.5068 -25.5068 -12.3835 -12.3835 -8.5355 -8.5355 -7.5569 -7.5569 -7.2665 -7.2665 -0.9387 -0.9387 2.9199 2.9199 3.0244 3.0244 3.9398 3.9398 8.9813 8.9813 9.0653 9.0653 15.1701 15.1701 15.2495 15.2495 15.7045 15.7045 k = 0.1786 0.2973 0.6596 ( 1510 PWs) bands (ev): -25.5061 -25.5061 -12.3765 -12.3765 -8.5458 -8.5458 -7.5714 -7.5714 -7.2684 -7.2684 -0.9328 -0.9328 2.9427 2.9427 3.0385 3.0385 3.9410 3.9410 8.9570 8.9570 9.0286 9.0286 15.2055 15.2055 15.2595 15.2595 15.7212 15.7212 k = 0.1845 0.2903 0.6688 ( 1510 PWs) bands (ev): -25.5053 -25.5053 -12.3699 -12.3699 -8.5557 -8.5557 -7.5850 -7.5850 -7.2701 -7.2701 -0.9273 -0.9273 2.9637 2.9637 3.0521 3.0521 3.9422 3.9422 8.9343 8.9343 8.9944 8.9944 15.1711 15.1711 15.3380 15.3380 15.7367 15.7367 k = 0.1905 0.2833 0.6779 ( 1512 PWs) bands (ev): -25.5047 -25.5047 -12.3638 -12.3638 -8.5649 -8.5649 -7.5977 -7.5977 -7.2717 -7.2717 -0.9221 -0.9221 2.9827 2.9827 3.0654 3.0654 3.9432 3.9432 8.9132 8.9132 8.9630 8.9630 15.1376 15.1376 15.4140 15.4140 15.7510 15.7510 k = 0.1964 0.2764 0.6871 ( 1510 PWs) bands (ev): -25.5040 -25.5040 -12.3580 -12.3580 -8.5734 -8.5734 -7.6094 -7.6094 -7.2731 -7.2731 -0.9174 -0.9174 2.9997 2.9997 3.0780 3.0780 3.9442 3.9442 8.8939 8.8939 8.9345 8.9345 15.1067 15.1067 15.4852 15.4852 15.7640 15.7640 k = 0.2024 0.2694 0.6962 ( 1508 PWs) bands (ev): -25.5034 -25.5034 -12.3528 -12.3528 -8.5812 -8.5812 -7.6200 -7.6200 -7.2744 -7.2744 -0.9131 -0.9131 3.0148 3.0148 3.0900 3.0900 3.9451 3.9451 8.8765 8.8765 8.9088 8.9088 15.0786 15.0786 15.5510 15.5510 15.7757 15.7757 k = 0.2083 0.2624 0.7054 ( 1508 PWs) bands (ev): -25.5029 -25.5029 -12.3481 -12.3481 -8.5882 -8.5882 -7.6295 -7.6295 -7.2754 -7.2754 -0.9092 -0.9092 3.0278 3.0278 3.1012 3.1012 3.9459 3.9459 8.8610 8.8610 8.8860 8.8860 15.0536 15.0536 15.6107 15.6107 15.7861 15.7861 k = 0.2143 0.2555 0.7146 ( 1506 PWs) bands (ev): -25.5025 -25.5025 -12.3439 -12.3439 -8.5944 -8.5944 -7.6379 -7.6379 -7.2764 -7.2764 -0.9058 -0.9058 3.0388 3.0388 3.1114 3.1114 3.9466 3.9466 8.8474 8.8474 8.8663 8.8663 15.0317 15.0317 15.6639 15.6639 15.7952 15.7952 k = 0.2202 0.2485 0.7237 ( 1510 PWs) bands (ev): -25.5021 -25.5021 -12.3404 -12.3404 -8.5997 -8.5997 -7.6450 -7.6450 -7.2771 -7.2771 -0.9028 -0.9028 3.0480 3.0480 3.1203 3.1203 3.9472 3.9472 8.8357 8.8357 8.8495 8.8495 15.0130 15.0130 15.7099 15.7099 15.8030 15.8030 k = 0.2262 0.2415 0.7329 ( 1514 PWs) bands (ev): -25.5018 -25.5018 -12.3375 -12.3375 -8.6041 -8.6041 -7.6509 -7.6509 -7.2778 -7.2778 -0.9004 -0.9004 3.0553 3.0553 3.1279 3.1279 3.9476 3.9476 8.8260 8.8260 8.8358 8.8358 14.9976 14.9976 15.7485 15.7485 15.8094 15.8094 k = 0.2321 0.2346 0.7420 ( 1512 PWs) bands (ev): -25.5015 -25.5015 -12.3351 -12.3351 -8.6076 -8.6076 -7.6555 -7.6555 -7.2783 -7.2783 -0.8985 -0.8985 3.0610 3.0610 3.1340 3.1340 3.9480 3.9480 8.8181 8.8181 8.8255 8.8255 14.9856 14.9856 15.7791 15.7791 15.8146 15.8146 k = 0.2381 0.2276 0.7512 ( 1506 PWs) bands (ev): -25.5014 -25.5014 -12.3335 -12.3335 -8.6100 -8.6100 -7.6588 -7.6588 -7.2786 -7.2786 -0.8972 -0.8972 3.0650 3.0650 3.1385 3.1385 3.9483 3.9483 8.8122 8.8122 8.8184 8.8184 14.9769 14.9769 15.8009 15.8009 15.8189 15.8189 k = 0.2440 0.2207 0.7604 ( 1508 PWs) bands (ev): -25.5012 -25.5012 -12.3324 -12.3324 -8.6115 -8.6115 -7.6608 -7.6608 -7.2788 -7.2788 -0.8963 -0.8963 3.0674 3.0674 3.1411 3.1411 3.9485 3.9485 8.8085 8.8085 8.8143 8.8143 14.9717 14.9717 15.8127 15.8127 15.8228 15.8228 k = 0.2500 0.2137 0.7695 ( 1508 PWs) bands (ev): -25.5012 -25.5012 -12.3321 -12.3321 -8.6120 -8.6120 -7.6615 -7.6615 -7.2789 -7.2789 -0.8961 -0.8961 3.0682 3.0682 3.1420 3.1420 3.9486 3.9486 8.8072 8.8072 8.8129 8.8129 14.9700 14.9700 15.8157 15.8157 15.8251 15.8251 k = 0.2500 0.2137 0.7695 ( 1508 PWs) bands (ev): -25.5012 -25.5012 -12.3321 -12.3321 -8.6120 -8.6120 -7.6615 -7.6615 -7.2789 -7.2789 -0.8961 -0.8961 3.0682 3.0682 3.1420 3.1420 3.9486 3.9486 8.8072 8.8072 8.8129 8.8129 14.9700 14.9700 15.8157 15.8157 15.8251 15.8251 k = 0.2576 0.2202 0.7610 ( 1506 PWs) bands (ev): -25.5012 -25.5012 -12.3322 -12.3322 -8.6119 -8.6119 -7.6612 -7.6612 -7.2791 -7.2791 -0.8951 -0.8951 3.0670 3.0670 3.1428 3.1428 3.9471 3.9471 8.7286 8.7286 8.8933 8.8933 14.9702 14.9702 15.7971 15.7971 15.8424 15.8424 k = 0.2652 0.2266 0.7525 ( 1506 PWs) bands (ev): -25.5013 -25.5013 -12.3325 -12.3325 -8.6114 -8.6114 -7.6603 -7.6603 -7.2797 -7.2797 -0.8921 -0.8921 3.0638 3.0638 3.1447 3.1447 3.9424 3.9424 8.6502 8.6502 8.9771 8.9771 14.9710 14.9710 15.7743 15.7743 15.8612 15.8612 k = 0.2727 0.2331 0.7440 ( 1506 PWs) bands (ev): -25.5013 -25.5013 -12.3329 -12.3329 -8.6107 -8.6107 -7.6589 -7.6589 -7.2808 -7.2808 -0.8872 -0.8872 3.0592 3.0592 3.1470 3.1470 3.9349 3.9349 8.5745 8.5745 9.0618 9.0618 14.9726 14.9726 15.7516 15.7516 15.8775 15.8775 k = 0.2803 0.2396 0.7355 ( 1506 PWs) bands (ev): -25.5014 -25.5014 -12.3335 -12.3335 -8.6097 -8.6097 -7.6568 -7.6568 -7.2823 -7.2823 -0.8804 -0.8804 3.0538 3.0538 3.1492 3.1492 3.9245 3.9245 8.5019 8.5019 9.1471 9.1471 14.9752 14.9752 15.7290 15.7290 15.8915 15.8915 k = 0.2879 0.2461 0.7269 ( 1502 PWs) bands (ev): -25.5016 -25.5016 -12.3343 -12.3343 -8.6085 -8.6085 -7.6542 -7.6542 -7.2842 -7.2842 -0.8717 -0.8717 3.0480 3.0480 3.1507 3.1507 3.9116 3.9116 8.4326 8.4326 9.2329 9.2329 14.9789 14.9789 15.7065 15.7065 15.9032 15.9032 k = 0.2955 0.2525 0.7184 ( 1500 PWs) bands (ev): -25.5017 -25.5017 -12.3353 -12.3353 -8.6070 -8.6070 -7.6511 -7.6511 -7.2866 -7.2866 -0.8612 -0.8612 3.0420 3.0420 3.1514 3.1514 3.8962 3.8962 8.3667 8.3667 9.3189 9.3189 14.9841 14.9841 15.6840 15.6840 15.9131 15.9131 k = 0.3030 0.2590 0.7099 ( 1506 PWs) bands (ev): -25.5019 -25.5019 -12.3364 -12.3364 -8.6054 -8.6054 -7.6475 -7.6475 -7.2894 -7.2894 -0.8490 -0.8490 3.0360 3.0360 3.1509 3.1509 3.8785 3.8785 8.3045 8.3045 9.4049 9.4049 14.9907 14.9907 15.6612 15.6612 15.9212 15.9212 k = 0.3106 0.2655 0.7014 ( 1506 PWs) bands (ev): -25.5021 -25.5021 -12.3376 -12.3376 -8.6035 -8.6035 -7.6434 -7.6434 -7.2925 -7.2925 -0.8352 -0.8352 3.0301 3.0301 3.1491 3.1491 3.8589 3.8589 8.2461 8.2461 9.4907 9.4907 14.9990 14.9990 15.6379 15.6379 15.9278 15.9278 k = 0.3182 0.2720 0.6929 ( 1506 PWs) bands (ev): -25.5023 -25.5023 -12.3390 -12.3390 -8.6016 -8.6016 -7.6388 -7.6388 -7.2961 -7.2961 -0.8198 -0.8198 3.0244 3.0244 3.1459 3.1459 3.8377 3.8377 8.1918 8.1918 9.5760 9.5760 15.0090 15.0090 15.6138 15.6138 15.9330 15.9330 k = 0.3258 0.2784 0.6843 ( 1507 PWs) bands (ev): -25.5025 -25.5025 -12.3405 -12.3405 -8.5994 -8.5994 -7.6338 -7.6338 -7.2999 -7.2999 -0.8030 -0.8030 3.0189 3.0189 3.1411 3.1411 3.8150 3.8150 8.1417 8.1417 9.6605 9.6605 15.0208 15.0208 15.5882 15.5882 15.9369 15.9369 k = 0.3333 0.2849 0.6758 ( 1509 PWs) bands (ev): -25.5027 -25.5027 -12.3422 -12.3422 -8.5972 -8.5972 -7.6284 -7.6284 -7.3041 -7.3041 -0.7849 -0.7849 3.0136 3.0136 3.1347 3.1347 3.7913 3.7913 8.0960 8.0960 9.7442 9.7442 15.0343 15.0343 15.5606 15.5606 15.9396 15.9396 k = 0.3409 0.2914 0.6673 ( 1509 PWs) bands (ev): -25.5029 -25.5029 -12.3440 -12.3440 -8.5949 -8.5949 -7.6227 -7.6227 -7.3085 -7.3085 -0.7656 -0.7656 3.0086 3.0086 3.1266 3.1266 3.7668 3.7668 8.0548 8.0548 9.8266 9.8266 15.0496 15.0496 15.5301 15.5301 15.9411 15.9411 k = 0.3485 0.2979 0.6588 ( 1507 PWs) bands (ev): -25.5032 -25.5032 -12.3458 -12.3458 -8.5924 -8.5924 -7.6167 -7.6167 -7.3130 -7.3130 -0.7454 -0.7454 3.0039 3.0039 3.1168 3.1168 3.7419 3.7419 8.0182 8.0182 9.9076 9.9076 15.0665 15.0665 15.4956 15.4956 15.9416 15.9416 k = 0.3561 0.3043 0.6503 ( 1505 PWs) bands (ev): -25.5035 -25.5035 -12.3478 -12.3478 -8.5900 -8.5900 -7.6105 -7.6105 -7.3177 -7.3177 -0.7244 -0.7244 2.9992 2.9992 3.1052 3.1052 3.7169 3.7169 7.9864 7.9864 9.9869 9.9869 15.0850 15.0850 15.4560 15.4560 15.9411 15.9411 k = 0.3636 0.3108 0.6417 ( 1509 PWs) bands (ev): -25.5037 -25.5037 -12.3499 -12.3499 -8.5874 -8.5874 -7.6042 -7.6042 -7.3223 -7.3223 -0.7027 -0.7027 2.9947 2.9947 3.0918 3.0918 3.6920 3.6920 7.9595 7.9595 10.0641 10.0641 15.1048 15.1048 15.4103 15.4103 15.9394 15.9394 k = 0.3712 0.3173 0.6332 ( 1509 PWs) bands (ev): -25.5040 -25.5040 -12.3520 -12.3520 -8.5848 -8.5848 -7.5978 -7.5978 -7.3269 -7.3269 -0.6807 -0.6807 2.9903 2.9903 3.0770 3.0770 3.6677 3.6677 7.9376 7.9376 10.1390 10.1390 15.1258 15.1258 15.3576 15.3576 15.9368 15.9368 k = 0.3788 0.3238 0.6247 ( 1507 PWs) bands (ev): -25.5043 -25.5043 -12.3543 -12.3543 -8.5822 -8.5822 -7.5915 -7.5915 -7.3313 -7.3313 -0.6583 -0.6583 2.9857 2.9857 3.0608 3.0608 3.6441 3.6441 7.9208 7.9208 10.2113 10.2113 15.1475 15.1475 15.2975 15.2975 15.9331 15.9331 k = 0.3864 0.3303 0.6162 ( 1504 PWs) bands (ev): -25.5046 -25.5046 -12.3566 -12.3566 -8.5795 -8.5795 -7.5852 -7.5852 -7.3354 -7.3354 -0.6360 -0.6360 2.9806 2.9806 3.0439 3.0439 3.6215 3.6215 7.9092 7.9092 10.2808 10.2808 15.1688 15.1688 15.2309 15.2309 15.9284 15.9284 k = 0.3939 0.3367 0.6077 ( 1503 PWs) bands (ev): -25.5049 -25.5049 -12.3589 -12.3589 -8.5769 -8.5769 -7.5791 -7.5791 -7.3392 -7.3392 -0.6139 -0.6139 2.9741 2.9741 3.0272 3.0272 3.6001 3.6001 7.9028 7.9028 10.3473 10.3473 15.1498 15.1498 15.1977 15.1977 15.9225 15.9225 k = 0.4015 0.3432 0.5992 ( 1509 PWs) bands (ev): -25.5052 -25.5052 -12.3613 -12.3613 -8.5742 -8.5742 -7.5733 -7.5733 -7.3424 -7.3424 -0.5923 -0.5923 2.9645 2.9645 3.0125 3.0125 3.5800 3.5800 7.9017 7.9017 10.4104 10.4104 15.0704 15.0704 15.2186 15.2186 15.9154 15.9154 k = 0.4091 0.3497 0.5906 ( 1511 PWs) bands (ev): -25.5056 -25.5056 -12.3638 -12.3638 -8.5714 -8.5714 -7.5679 -7.5679 -7.3451 -7.3451 -0.5713 -0.5713 2.9503 2.9503 3.0017 3.0017 3.5614 3.5614 7.9059 7.9059 10.4699 10.4699 14.9836 14.9836 15.2412 15.2412 15.9070 15.9070 k = 0.4167 0.3562 0.5821 ( 1511 PWs) bands (ev): -25.5059 -25.5059 -12.3663 -12.3663 -8.5687 -8.5687 -7.5629 -7.5629 -7.3471 -7.3471 -0.5513 -0.5513 2.9317 2.9317 2.9949 2.9949 3.5443 3.5443 7.9153 7.9153 10.5257 10.5257 14.8923 14.8923 15.2633 15.2633 15.8971 15.8971 k = 0.4242 0.3626 0.5736 ( 1511 PWs) bands (ev): -25.5062 -25.5062 -12.3689 -12.3689 -8.5660 -8.5660 -7.5585 -7.5585 -7.3483 -7.3483 -0.5325 -0.5325 2.9101 2.9101 2.9908 2.9908 3.5289 3.5289 7.9301 7.9301 10.5776 10.5776 14.7974 14.7974 15.2845 15.2845 15.8856 15.8856 k = 0.4318 0.3691 0.5651 ( 1511 PWs) bands (ev): -25.5066 -25.5066 -12.3714 -12.3714 -8.5632 -8.5632 -7.5546 -7.5546 -7.3487 -7.3487 -0.5150 -0.5150 2.8871 2.8871 2.9883 2.9883 3.5153 3.5153 7.9501 7.9501 10.6253 10.6253 14.7001 14.7001 15.3043 15.3043 15.8723 15.8723 k = 0.4394 0.3756 0.5566 ( 1515 PWs) bands (ev): -25.5070 -25.5070 -12.3740 -12.3740 -8.5604 -8.5604 -7.5513 -7.5513 -7.3482 -7.3482 -0.4992 -0.4992 2.8634 2.8634 2.9868 2.9868 3.5034 3.5034 7.9754 7.9754 10.6687 10.6687 14.6010 14.6010 15.3224 15.3224 15.8569 15.8569 k = 0.4470 0.3821 0.5480 ( 1513 PWs) bands (ev): -25.5073 -25.5073 -12.3766 -12.3766 -8.5576 -8.5576 -7.5486 -7.5486 -7.3468 -7.3468 -0.4852 -0.4852 2.8396 2.8396 2.9860 2.9860 3.4935 3.4935 8.0058 8.0058 10.7078 10.7078 14.5008 14.5008 15.3384 15.3384 15.8394 15.8394 k = 0.4545 0.3885 0.5395 ( 1512 PWs) bands (ev): -25.5077 -25.5077 -12.3792 -12.3792 -8.5548 -8.5548 -7.5464 -7.5464 -7.3446 -7.3446 -0.4733 -0.4733 2.8161 2.8161 2.9858 2.9858 3.4855 3.4855 8.0413 8.0413 10.7424 10.7424 14.4002 14.4002 15.3520 15.3520 15.8196 15.8196 k = 0.4621 0.3950 0.5310 ( 1510 PWs) bands (ev): -25.5081 -25.5081 -12.3818 -12.3818 -8.5519 -8.5519 -7.5447 -7.5447 -7.3416 -7.3416 -0.4636 -0.4636 2.7933 2.7933 2.9860 2.9860 3.4795 3.4795 8.0817 8.0817 10.7724 10.7724 14.2996 14.2996 15.3628 15.3628 15.7970 15.7970 k = 0.4697 0.4015 0.5225 ( 1512 PWs) bands (ev): -25.5085 -25.5085 -12.3843 -12.3843 -8.5490 -8.5490 -7.5434 -7.5434 -7.3379 -7.3379 -0.4562 -0.4562 2.7712 2.7712 2.9868 2.9868 3.4756 3.4756 8.1270 8.1270 10.7979 10.7979 14.1993 14.1993 15.3706 15.3706 15.7718 15.7718 k = 0.4773 0.4080 0.5140 ( 1520 PWs) bands (ev): -25.5090 -25.5090 -12.3869 -12.3869 -8.5460 -8.5460 -7.5424 -7.5424 -7.3336 -7.3336 -0.4514 -0.4514 2.7500 2.7500 2.9879 2.9879 3.4738 3.4738 8.1770 8.1770 10.8187 10.8187 14.0998 14.0998 15.3751 15.3751 15.7436 15.7436 k = 0.4848 0.4144 0.5054 ( 1520 PWs) bands (ev): -25.5095 -25.5095 -12.3895 -12.3895 -8.5430 -8.5430 -7.5415 -7.5415 -7.3288 -7.3288 -0.4490 -0.4490 2.7300 2.7300 2.9894 2.9894 3.4744 3.4744 8.2315 8.2315 10.8350 10.8350 14.0013 14.0013 15.3761 15.3761 15.7127 15.7127 k = 0.4924 0.4209 0.4969 ( 1518 PWs) bands (ev): -25.5099 -25.5099 -12.3920 -12.3920 -8.5398 -8.5398 -7.5407 -7.5407 -7.3235 -7.3235 -0.4493 -0.4493 2.7112 2.7112 2.9913 2.9913 3.4774 3.4774 8.2904 8.2904 10.8468 10.8468 13.9041 13.9041 15.3733 15.3733 15.6789 15.6789 k = 0.5000 0.4274 0.4884 ( 1518 PWs) bands (ev): -25.5104 -25.5104 -12.3944 -12.3944 -8.5366 -8.5366 -7.5399 -7.5399 -7.3180 -7.3180 -0.4522 -0.4522 2.6936 2.6936 2.9935 2.9935 3.4827 3.4827 8.3534 8.3534 10.8542 10.8542 13.8083 13.8083 15.3664 15.3664 15.6426 15.6426 k = 0.5000 0.4274 0.4884 ( 1518 PWs) bands (ev): -25.5104 -25.5104 -12.3944 -12.3944 -8.5366 -8.5366 -7.5399 -7.5399 -7.3180 -7.3180 -0.4522 -0.4522 2.6936 2.6936 2.9935 2.9935 3.4827 3.4827 8.3534 8.3534 10.8542 10.8542 13.8083 13.8083 15.3664 15.3664 15.6426 15.6426 k = 0.5000 0.4274 0.4756 ( 1518 PWs) bands (ev): -25.5112 -25.5112 -12.3979 -12.3979 -8.5319 -8.5319 -7.5389 -7.5389 -7.3095 -7.3095 -0.4584 -0.4584 2.6692 2.6692 2.9973 2.9973 3.4928 3.4928 8.4529 8.4529 10.8620 10.8620 13.6651 13.6651 15.3495 15.3495 15.5861 15.5861 k = 0.5000 0.4274 0.4627 ( 1518 PWs) bands (ev): -25.5120 -25.5120 -12.4009 -12.4009 -8.5276 -8.5276 -7.5385 -7.5385 -7.3010 -7.3010 -0.4644 -0.4644 2.6473 2.6473 3.0014 3.0014 3.5031 3.5031 8.5546 8.5546 10.8699 10.8699 13.5223 13.5223 15.3269 15.3269 15.5303 15.5303 k = 0.5000 0.4274 0.4499 ( 1526 PWs) bands (ev): -25.5129 -25.5129 -12.4034 -12.4034 -8.5237 -8.5237 -7.5385 -7.5385 -7.2929 -7.2929 -0.4701 -0.4701 2.6280 2.6280 3.0059 3.0059 3.5137 3.5137 8.6582 8.6582 10.8777 10.8777 13.3801 13.3801 15.2992 15.2992 15.4754 15.4754 k = 0.5000 0.4274 0.4370 ( 1518 PWs) bands (ev): -25.5137 -25.5137 -12.4054 -12.4054 -8.5202 -8.5202 -7.5389 -7.5389 -7.2852 -7.2852 -0.4755 -0.4755 2.6117 2.6117 3.0108 3.0108 3.5245 3.5245 8.7636 8.7636 10.8858 10.8858 13.2389 13.2389 15.2670 15.2670 15.4218 15.4218 k = 0.5000 0.4274 0.4241 ( 1518 PWs) bands (ev): -25.5146 -25.5146 -12.4069 -12.4069 -8.5172 -8.5172 -7.5396 -7.5396 -7.2782 -7.2782 -0.4806 -0.4806 2.5985 2.5985 3.0161 3.0161 3.5355 3.5355 8.8704 8.8704 10.8939 10.8939 13.0988 13.0988 15.2309 15.2309 15.3700 15.3700 k = 0.5000 0.4274 0.4113 ( 1518 PWs) bands (ev): -25.5155 -25.5155 -12.4078 -12.4078 -8.5147 -8.5147 -7.5405 -7.5405 -7.2720 -7.2720 -0.4853 -0.4853 2.5885 2.5885 3.0217 3.0217 3.5466 3.5466 8.9782 8.9782 10.9019 10.9019 12.9601 12.9601 15.1914 15.1914 15.3201 15.3201 k = 0.5000 0.4274 0.3984 ( 1522 PWs) bands (ev): -25.5164 -25.5164 -12.4081 -12.4081 -8.5127 -8.5127 -7.5416 -7.5416 -7.2666 -7.2666 -0.4896 -0.4896 2.5818 2.5818 3.0277 3.0277 3.5578 3.5578 9.0868 9.0868 10.9099 10.9099 12.8230 12.8230 15.1490 15.1490 15.2726 15.2726 k = 0.5000 0.4274 0.3856 ( 1526 PWs) bands (ev): -25.5173 -25.5173 -12.4079 -12.4079 -8.5112 -8.5112 -7.5427 -7.5427 -7.2622 -7.2622 -0.4936 -0.4936 2.5784 2.5784 3.0340 3.0340 3.5691 3.5691 9.1958 9.1958 10.9179 10.9179 12.6876 12.6876 15.1041 15.1041 15.2279 15.2279 k = 0.5000 0.4274 0.3727 ( 1526 PWs) bands (ev): -25.5182 -25.5182 -12.4071 -12.4071 -8.5102 -8.5102 -7.5439 -7.5439 -7.2588 -7.2588 -0.4973 -0.4973 2.5785 2.5785 3.0407 3.0407 3.5804 3.5804 9.3048 9.3048 10.9258 10.9258 12.5543 12.5543 15.0570 15.0570 15.1864 15.1864 k = 0.5000 0.4274 0.3599 ( 1530 PWs) bands (ev): -25.5192 -25.5192 -12.4058 -12.4058 -8.5098 -8.5098 -7.5452 -7.5452 -7.2564 -7.2564 -0.5005 -0.5005 2.5821 2.5821 3.0478 3.0478 3.5917 3.5917 9.4136 9.4136 10.9335 10.9335 12.4232 12.4232 15.0080 15.0080 15.1485 15.1485 k = 0.5000 0.4274 0.3470 ( 1530 PWs) bands (ev): -25.5201 -25.5201 -12.4038 -12.4038 -8.5098 -8.5098 -7.5464 -7.5464 -7.2552 -7.2552 -0.5034 -0.5034 2.5892 2.5892 3.0552 3.0552 3.6030 3.6030 9.5215 9.5215 10.9412 10.9412 12.2945 12.2945 14.9573 14.9573 15.1145 15.1145 k = 0.5000 0.4274 0.3342 ( 1526 PWs) bands (ev): -25.5210 -25.5210 -12.4014 -12.4014 -8.5103 -8.5103 -7.5477 -7.5477 -7.2549 -7.2549 -0.5060 -0.5060 2.5996 2.5996 3.0629 3.0629 3.6142 3.6142 9.6285 9.6285 10.9488 10.9488 12.1684 12.1684 14.9051 14.9051 15.0850 15.0850 k = 0.5000 0.4274 0.3213 ( 1528 PWs) bands (ev): -25.5220 -25.5220 -12.3984 -12.3984 -8.5113 -8.5113 -7.5489 -7.5489 -7.2557 -7.2557 -0.5082 -0.5082 2.6132 2.6132 3.0709 3.0709 3.6254 3.6254 9.7337 9.7337 10.9562 10.9562 12.0451 12.0451 14.8514 14.8514 15.0602 15.0602 k = 0.5000 0.4274 0.3085 ( 1524 PWs) bands (ev): -25.5229 -25.5229 -12.3949 -12.3949 -8.5128 -8.5128 -7.5502 -7.5502 -7.2575 -7.2575 -0.5100 -0.5100 2.6300 2.6300 3.0792 3.0792 3.6364 3.6364 9.8370 9.8370 10.9634 10.9634 11.9248 11.9248 14.7965 14.7965 15.0406 15.0406 k = 0.5000 0.4274 0.2956 ( 1528 PWs) bands (ev): -25.5238 -25.5238 -12.3910 -12.3910 -8.5147 -8.5147 -7.5515 -7.5515 -7.2602 -7.2602 -0.5116 -0.5116 2.6498 2.6498 3.0877 3.0877 3.6472 3.6472 9.9378 9.9378 10.9704 10.9704 11.8076 11.8076 14.7403 14.7403 15.0266 15.0266 k = 0.5000 0.4274 0.2828 ( 1528 PWs) bands (ev): -25.5247 -25.5247 -12.3866 -12.3866 -8.5170 -8.5170 -7.5529 -7.5529 -7.2637 -7.2637 -0.5128 -0.5128 2.6722 2.6722 3.0964 3.0964 3.6578 3.6578 10.0359 10.0359 10.9772 10.9772 11.6939 11.6939 14.6829 14.6829 15.0186 15.0186 k = 0.5000 0.4274 0.2699 ( 1524 PWs) bands (ev): -25.5256 -25.5256 -12.3819 -12.3819 -8.5196 -8.5196 -7.5543 -7.5543 -7.2678 -7.2678 -0.5137 -0.5137 2.6974 2.6974 3.1053 3.1053 3.6682 3.6682 10.1306 10.1306 10.9838 10.9838 11.5836 11.5836 14.6244 14.6244 15.0168 15.0168 k = 0.5000 0.4274 0.2571 ( 1528 PWs) bands (ev): -25.5265 -25.5265 -12.3768 -12.3768 -8.5227 -8.5227 -7.5559 -7.5559 -7.2726 -7.2726 -0.5144 -0.5144 2.7248 2.7248 3.1143 3.1143 3.6783 3.6783 10.2215 10.2215 10.9901 10.9901 11.4771 11.4771 14.5647 14.5647 15.0217 15.0217 k = 0.5000 0.4274 0.2442 ( 1532 PWs) bands (ev): -25.5273 -25.5273 -12.3715 -12.3715 -8.5260 -8.5260 -7.5576 -7.5576 -7.2778 -7.2778 -0.5149 -0.5149 2.7542 2.7542 3.1235 3.1235 3.6880 3.6880 10.3084 10.3084 10.9962 10.9962 11.3745 11.3745 14.5041 14.5041 15.0335 15.0335 k = 0.5000 0.4274 0.2314 ( 1530 PWs) bands (ev): -25.5281 -25.5281 -12.3658 -12.3658 -8.5295 -8.5295 -7.5594 -7.5594 -7.2834 -7.2834 -0.5151 -0.5151 2.7854 2.7854 3.1327 3.1327 3.6974 3.6974 10.3909 10.3909 11.0020 11.0020 11.2759 11.2759 14.4426 14.4426 15.0524 15.0524 k = 0.5000 0.4274 0.2185 ( 1530 PWs) bands (ev): -25.5289 -25.5289 -12.3600 -12.3600 -8.5333 -8.5333 -7.5614 -7.5614 -7.2893 -7.2893 -0.5151 -0.5151 2.8179 2.8179 3.1419 3.1419 3.7065 3.7065 10.4688 10.4688 11.0075 11.0075 11.1816 11.1816 14.3803 14.3803 15.0787 15.0787 k = 0.5000 0.4274 0.2056 ( 1530 PWs) bands (ev): -25.5297 -25.5297 -12.3541 -12.3541 -8.5373 -8.5373 -7.5636 -7.5636 -7.2952 -7.2952 -0.5150 -0.5150 2.8514 2.8514 3.1511 3.1511 3.7152 3.7152 10.5417 10.5417 11.0128 11.0128 11.0916 11.0916 14.3176 14.3176 15.1124 15.1124 k = 0.5000 0.4274 0.1928 ( 1526 PWs) bands (ev): -25.5305 -25.5305 -12.3481 -12.3481 -8.5413 -8.5413 -7.5661 -7.5661 -7.3011 -7.3011 -0.5147 -0.5147 2.8857 2.8857 3.1602 3.1602 3.7234 3.7234 10.6095 10.6095 11.0061 11.0061 11.0179 11.0179 14.2546 14.2546 15.1536 15.1536 k = 0.5000 0.4274 0.1799 ( 1522 PWs) bands (ev): -25.5312 -25.5312 -12.3421 -12.3421 -8.5454 -8.5454 -7.5687 -7.5687 -7.3068 -7.3068 -0.5143 -0.5143 2.9202 2.9202 3.1693 3.1693 3.7312 3.7312 10.6721 10.6721 10.9254 10.9254 11.0226 11.0226 14.1919 14.1919 15.2021 15.2021 k = 0.5000 0.4274 0.1671 ( 1526 PWs) bands (ev): -25.5318 -25.5318 -12.3362 -12.3362 -8.5496 -8.5496 -7.5715 -7.5715 -7.3124 -7.3124 -0.5138 -0.5138 2.9545 2.9545 3.1781 3.1781 3.7385 3.7385 10.7292 10.7292 10.8496 10.8496 11.0269 11.0269 14.1297 14.1297 15.2579 15.2579 k = 0.5000 0.4274 0.1542 ( 1526 PWs) bands (ev): -25.5325 -25.5325 -12.3304 -12.3304 -8.5537 -8.5537 -7.5745 -7.5745 -7.3176 -7.3176 -0.5132 -0.5132 2.9883 2.9883 3.1867 3.1867 3.7453 3.7453 10.7776 10.7776 10.7823 10.7823 11.0310 11.0310 14.0687 14.0687 15.3206 15.3206 k = 0.5000 0.4274 0.1414 ( 1518 PWs) bands (ev): -25.5331 -25.5331 -12.3248 -12.3248 -8.5577 -8.5577 -7.5776 -7.5776 -7.3224 -7.3224 -0.5125 -0.5125 3.0212 3.0212 3.1952 3.1952 3.7516 3.7516 10.7128 10.7128 10.8282 10.8282 11.0349 11.0349 14.0095 14.0095 15.3900 15.3900 k = 0.5000 0.4274 0.1285 ( 1514 PWs) bands (ev): -25.5336 -25.5336 -12.3194 -12.3194 -8.5616 -8.5616 -7.5808 -7.5808 -7.3269 -7.3269 -0.5119 -0.5119 3.0525 3.0525 3.2034 3.2034 3.7574 3.7574 10.6523 10.6523 10.8700 10.8700 11.0384 11.0384 13.9526 13.9526 15.4654 15.4654 k = 0.5000 0.4274 0.1157 ( 1512 PWs) bands (ev): -25.5341 -25.5341 -12.3143 -12.3143 -8.5653 -8.5653 -7.5841 -7.5841 -7.3309 -7.3309 -0.5112 -0.5112 3.0821 3.0821 3.2113 3.2113 3.7626 3.7626 10.5971 10.5971 10.9069 10.9069 11.0416 11.0416 13.8987 13.8987 15.5341 15.5341 k = 0.5000 0.4274 0.1028 ( 1508 PWs) bands (ev): -25.5346 -25.5346 -12.3096 -12.3096 -8.5687 -8.5687 -7.5872 -7.5872 -7.3344 -7.3344 -0.5105 -0.5105 3.1092 3.1092 3.2190 3.2190 3.7672 3.7672 10.5474 10.5474 10.9391 10.9391 11.0445 11.0445 13.8484 13.8484 15.4989 15.4989 k = 0.5000 0.4274 0.0900 ( 1508 PWs) bands (ev): -25.5350 -25.5350 -12.3053 -12.3053 -8.5719 -8.5719 -7.5902 -7.5902 -7.3375 -7.3375 -0.5099 -0.5099 3.1335 3.1335 3.2266 3.2266 3.7713 3.7713 10.5033 10.5033 10.9667 10.9667 11.0472 11.0472 13.8023 13.8023 15.4624 15.4624 k = 0.5000 0.4274 0.0771 ( 1508 PWs) bands (ev): -25.5353 -25.5353 -12.3015 -12.3015 -8.5747 -8.5747 -7.5931 -7.5931 -7.3401 -7.3401 -0.5093 -0.5093 3.1544 3.1544 3.2342 3.2342 3.7748 3.7748 10.4649 10.4649 10.9900 10.9900 11.0496 11.0496 13.7610 13.7610 15.4308 15.4308 k = 0.5000 0.4274 0.0643 ( 1508 PWs) bands (ev): -25.5356 -25.5356 -12.2982 -12.2982 -8.5772 -8.5772 -7.5956 -7.5956 -7.3423 -7.3423 -0.5088 -0.5088 3.1717 3.1717 3.2417 3.2417 3.7777 3.7777 10.4322 10.4322 11.0092 11.0092 11.0518 11.0518 13.7251 13.7251 15.4043 15.4043 k = 0.5000 0.4274 0.0514 ( 1504 PWs) bands (ev): -25.5359 -25.5359 -12.2954 -12.2954 -8.5792 -8.5792 -7.5978 -7.5978 -7.3440 -7.3440 -0.5084 -0.5084 3.1852 3.1852 3.2490 3.2490 3.7801 3.7801 10.4054 10.4054 11.0242 11.0242 11.0540 11.0540 13.6951 13.6951 15.3828 15.3828 k = 0.5000 0.4274 0.0386 ( 1496 PWs) bands (ev): -25.5361 -25.5361 -12.2932 -12.2932 -8.5809 -8.5809 -7.5995 -7.5995 -7.3454 -7.3454 -0.5080 -0.5080 3.1951 3.1951 3.2557 3.2557 3.7821 3.7821 10.3845 10.3845 11.0352 11.0352 11.0564 11.0564 13.6713 13.6713 15.3662 15.3662 k = 0.5000 0.4274 0.0257 ( 1496 PWs) bands (ev): -25.5362 -25.5362 -12.2916 -12.2916 -8.5821 -8.5821 -7.6008 -7.6008 -7.3463 -7.3463 -0.5078 -0.5078 3.2016 3.2016 3.2611 3.2611 3.7834 3.7834 10.3695 10.3695 11.0420 11.0420 11.0588 11.0588 13.6541 13.6541 15.3544 15.3544 k = 0.5000 0.4274 0.0129 ( 1496 PWs) bands (ev): -25.5363 -25.5363 -12.2906 -12.2906 -8.5828 -8.5828 -7.6016 -7.6016 -7.3469 -7.3469 -0.5076 -0.5076 3.2053 3.2053 3.2646 3.2646 3.7841 3.7841 10.3605 10.3605 11.0455 11.0455 11.0610 11.0610 13.6436 13.6436 15.3474 15.3474 k = 0.5000 0.4274 0.0000 ( 1500 PWs) bands (ev): -25.5363 -25.5363 -12.2903 -12.2903 -8.5830 -8.5830 -7.6019 -7.6019 -7.3471 -7.3471 -0.5076 -0.5076 3.2065 3.2065 3.2658 3.2658 3.7843 3.7843 10.3575 10.3575 11.0465 11.0465 11.0618 11.0618 13.6401 13.6401 15.3450 15.3450 k = 0.0000 0.0000 0.7695 ( 1514 PWs) bands (ev): -25.5013 -25.5013 -12.3085 -12.3085 -8.6385 -8.6385 -7.6616 -7.6616 -7.3726 -7.3726 -0.3420 -0.3420 2.9612 2.9612 3.2092 3.2092 3.3979 3.3979 7.1578 7.1578 10.7541 10.7541 14.8237 14.8237 16.3175 16.3175 16.3566 16.3566 k = 0.0100 0.0085 0.7695 ( 1514 PWs) bands (ev): -25.5013 -25.5013 -12.3086 -12.3086 -8.6384 -8.6384 -7.6616 -7.6616 -7.3723 -7.3723 -0.3445 -0.3445 2.9613 2.9613 3.2124 3.2124 3.3971 3.3971 7.1610 7.1610 10.7496 10.7496 14.8241 14.8241 16.2462 16.2462 16.4303 16.4303 k = 0.0200 0.0171 0.7695 ( 1514 PWs) bands (ev): -25.5013 -25.5013 -12.3089 -12.3089 -8.6381 -8.6381 -7.6615 -7.6615 -7.3713 -7.3713 -0.3521 -0.3521 2.9618 2.9618 3.2220 3.2220 3.3947 3.3947 7.1707 7.1707 10.7363 10.7363 14.8252 14.8252 16.1639 16.1639 16.4457 16.4457 k = 0.0300 0.0256 0.7695 ( 1514 PWs) bands (ev): -25.5013 -25.5013 -12.3094 -12.3094 -8.6375 -8.6375 -7.6615 -7.6615 -7.3696 -7.3696 -0.3644 -0.3644 2.9626 2.9626 3.2377 3.2377 3.3908 3.3908 7.1869 7.1869 10.7143 10.7143 14.8271 14.8271 16.0868 16.0868 16.4389 16.4389 k = 0.0400 0.0342 0.7695 ( 1516 PWs) bands (ev): -25.5013 -25.5013 -12.3100 -12.3100 -8.6368 -8.6368 -7.6613 -7.6613 -7.3673 -7.3673 -0.3813 -0.3813 2.9637 2.9637 3.2592 3.2592 3.3855 3.3855 7.2094 7.2094 10.6836 10.6836 14.8298 14.8298 16.0156 16.0156 16.4290 16.4290 k = 0.0500 0.0427 0.7695 ( 1512 PWs) bands (ev): -25.5013 -25.5013 -12.3108 -12.3108 -8.6359 -8.6359 -7.6612 -7.6612 -7.3644 -7.3644 -0.4022 -0.4022 2.9653 2.9653 3.2857 3.2857 3.3789 3.3789 7.2381 7.2381 10.6448 10.6448 14.8331 14.8331 15.9507 15.9507 16.4163 16.4163 k = 0.0600 0.0513 0.7695 ( 1506 PWs) bands (ev): -25.5013 -25.5013 -12.3118 -12.3118 -8.6348 -8.6348 -7.6611 -7.6611 -7.3609 -7.3609 -0.4269 -0.4269 2.9672 2.9672 3.3163 3.3163 3.3718 3.3718 7.2730 7.2730 10.5979 10.5979 14.8372 14.8372 15.8923 15.8923 16.4008 16.4008 k = 0.0700 0.0598 0.7695 ( 1510 PWs) bands (ev): -25.5013 -25.5013 -12.3128 -12.3128 -8.6336 -8.6336 -7.6609 -7.6609 -7.3568 -7.3568 -0.4546 -0.4546 2.9695 2.9695 3.3448 3.3448 3.3696 3.3696 7.3138 7.3138 10.5434 10.5434 14.8421 14.8421 15.8403 15.8403 16.3828 16.3828 k = 0.0800 0.0684 0.7695 ( 1512 PWs) bands (ev): -25.5013 -25.5013 -12.3141 -12.3141 -8.6322 -8.6322 -7.6608 -7.6608 -7.3523 -7.3523 -0.4850 -0.4850 2.9722 2.9722 3.3456 3.3456 3.3975 3.3975 7.3603 7.3603 10.4817 10.4817 14.8476 14.8476 15.7949 15.7949 16.3623 16.3623 k = 0.0900 0.0769 0.7695 ( 1516 PWs) bands (ev): -25.5013 -25.5013 -12.3154 -12.3154 -8.6308 -8.6308 -7.6607 -7.6607 -7.3474 -7.3474 -0.5173 -0.5173 2.9754 2.9754 3.3355 3.3355 3.4380 3.4380 7.4125 7.4125 10.4132 10.4132 14.8537 14.8537 15.7560 15.7560 16.3396 16.3396 k = 0.1000 0.0855 0.7695 ( 1520 PWs) bands (ev): -25.5013 -25.5013 -12.3168 -12.3168 -8.6292 -8.6292 -7.6606 -7.6606 -7.3421 -7.3421 -0.5510 -0.5510 2.9790 2.9790 3.3235 3.3235 3.4817 3.4817 7.4700 7.4700 10.3383 10.3383 14.8606 14.8606 15.7234 15.7234 16.3146 16.3146 k = 0.1100 0.0940 0.7695 ( 1520 PWs) bands (ev): -25.5013 -25.5013 -12.3182 -12.3182 -8.6276 -8.6276 -7.6605 -7.6605 -7.3365 -7.3365 -0.5855 -0.5855 2.9831 2.9831 3.3105 3.3105 3.5269 3.5269 7.5326 7.5326 10.2577 10.2577 14.8680 14.8680 15.6970 15.6970 16.2877 16.2877 k = 0.1200 0.1026 0.7695 ( 1520 PWs) bands (ev): -25.5013 -25.5013 -12.3197 -12.3197 -8.6259 -8.6259 -7.6605 -7.6605 -7.3307 -7.3307 -0.6203 -0.6203 2.9876 2.9876 3.2969 3.2969 3.5729 3.5729 7.6002 7.6002 10.1718 10.1718 14.8760 14.8760 15.6765 15.6765 16.2589 16.2589 k = 0.1300 0.1111 0.7695 ( 1520 PWs) bands (ev): -25.5013 -25.5013 -12.3211 -12.3211 -8.6243 -8.6243 -7.6605 -7.6605 -7.3248 -7.3248 -0.6547 -0.6547 2.9926 2.9926 3.2827 3.2827 3.6187 3.6187 7.6724 7.6724 10.0812 10.0812 14.8845 14.8845 15.6618 15.6618 16.2286 16.2286 k = 0.1400 0.1197 0.7695 ( 1520 PWs) bands (ev): -25.5013 -25.5013 -12.3226 -12.3226 -8.6226 -8.6226 -7.6606 -7.6606 -7.3189 -7.3189 -0.6883 -0.6883 2.9981 2.9981 3.2683 3.2683 3.6638 3.6638 7.7490 7.7490 9.9864 9.9864 14.8934 14.8934 15.6526 15.6526 16.1968 16.1968 k = 0.1500 0.1282 0.7695 ( 1508 PWs) bands (ev): -25.5012 -25.5012 -12.3240 -12.3240 -8.6210 -8.6210 -7.6606 -7.6606 -7.3130 -7.3130 -0.7206 -0.7206 3.0040 3.0040 3.2537 3.2537 3.7076 3.7076 7.8299 7.8299 9.8881 9.8881 14.9026 14.9026 15.6485 15.6485 16.1640 16.1640 k = 0.1600 0.1368 0.7695 ( 1508 PWs) bands (ev): -25.5012 -25.5012 -12.3254 -12.3254 -8.6195 -8.6195 -7.6607 -7.6607 -7.3074 -7.3074 -0.7512 -0.7512 3.0104 3.0104 3.2391 3.2391 3.7491 3.7491 7.9147 7.9147 9.7865 9.7865 14.9120 14.9120 15.6492 15.6492 16.1300 16.1300 k = 0.1700 0.1453 0.7695 ( 1508 PWs) bands (ev): -25.5012 -25.5012 -12.3267 -12.3267 -8.6181 -8.6181 -7.6608 -7.6608 -7.3020 -7.3020 -0.7797 -0.7797 3.0172 3.0172 3.2246 3.2246 3.7879 3.7879 8.0031 8.0031 9.6824 9.6824 14.9215 14.9215 15.6544 15.6544 16.0953 16.0953 k = 0.1800 0.1539 0.7695 ( 1504 PWs) bands (ev): -25.5012 -25.5012 -12.3279 -12.3279 -8.6167 -8.6167 -7.6609 -7.6609 -7.2970 -7.2970 -0.8056 -0.8056 3.0244 3.0244 3.2104 3.2104 3.8234 3.8234 8.0950 8.0950 9.5761 9.5761 14.9308 14.9308 15.6639 15.6639 16.0600 16.0600 k = 0.1900 0.1624 0.7695 ( 1504 PWs) bands (ev): -25.5012 -25.5012 -12.3289 -12.3289 -8.6156 -8.6156 -7.6611 -7.6611 -7.2925 -7.2925 -0.8288 -0.8288 3.0319 3.0319 3.1966 3.1966 3.8553 3.8553 8.1900 8.1900 9.4681 9.4681 14.9397 14.9397 15.6772 15.6772 16.0245 16.0245 k = 0.2000 0.1710 0.7695 ( 1512 PWs) bands (ev): -25.5012 -25.5012 -12.3299 -12.3299 -8.6145 -8.6145 -7.6612 -7.6612 -7.2885 -7.2885 -0.8488 -0.8488 3.0396 3.0396 3.1833 3.1833 3.8829 3.8829 8.2878 8.2878 9.3590 9.3590 14.9480 14.9480 15.6940 15.6940 15.9889 15.9889 k = 0.2100 0.1795 0.7695 ( 1512 PWs) bands (ev): -25.5012 -25.5012 -12.3307 -12.3307 -8.6136 -8.6136 -7.6613 -7.6613 -7.2851 -7.2851 -0.8656 -0.8656 3.0474 3.0474 3.1711 3.1711 3.9061 3.9061 8.3882 8.3882 9.2491 9.2491 14.9554 14.9554 15.7140 15.7140 15.9536 15.9536 k = 0.2200 0.1880 0.7695 ( 1504 PWs) bands (ev): -25.5012 -25.5012 -12.3313 -12.3313 -8.6129 -8.6129 -7.6614 -7.6614 -7.2824 -7.2824 -0.8788 -0.8788 3.0550 3.0550 3.1600 3.1600 3.9245 3.9245 8.4911 8.4911 9.1389 9.1389 14.9616 14.9616 15.7370 15.7370 15.9189 15.9189 k = 0.2300 0.1966 0.7695 ( 1504 PWs) bands (ev): -25.5012 -25.5012 -12.3317 -12.3317 -8.6124 -8.6124 -7.6614 -7.6614 -7.2805 -7.2805 -0.8884 -0.8884 3.0615 3.0615 3.1508 3.1508 3.9379 3.9379 8.5959 8.5959 9.0286 9.0286 14.9662 14.9662 15.7625 15.7625 15.8851 15.8851 k = 0.2400 0.2051 0.7695 ( 1506 PWs) bands (ev): -25.5012 -25.5012 -12.3320 -12.3320 -8.6121 -8.6121 -7.6615 -7.6615 -7.2793 -7.2793 -0.8941 -0.8941 3.0663 3.0663 3.1445 3.1445 3.9459 3.9459 8.7024 8.7024 8.9188 8.9188 14.9690 14.9690 15.7901 15.7901 15.8524 15.8524 k = 0.2500 0.2137 0.7695 ( 1508 PWs) bands (ev): -25.5012 -25.5012 -12.3321 -12.3321 -8.6120 -8.6120 -7.6615 -7.6615 -7.2789 -7.2789 -0.8961 -0.8961 3.0682 3.0682 3.1420 3.1420 3.9486 3.9486 8.8072 8.8072 8.8129 8.8129 14.9700 14.9700 15.8157 15.8157 15.8251 15.8251 Writing output data file SrN2.save init_run : 0.12s CPU 0.32s WALL ( 1 calls) electrons : 53.99s CPU 55.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 53.98s CPU 55.27s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 421 calls) cegterg : 50.16s CPU 51.14s WALL ( 515 calls) Called by sum_band: Called by *egterg: h_psi : 23.67s CPU 24.32s WALL ( 9015 calls) s_psi : 0.78s CPU 0.83s WALL ( 9015 calls) g_psi : 0.07s CPU 0.06s WALL ( 8079 calls) cdiaghg : 24.76s CPU 25.19s WALL ( 8500 calls) cegterg:over : 1.61s CPU 1.50s WALL ( 8079 calls) cegterg:upda : 1.03s CPU 1.12s WALL ( 8079 calls) cegterg:last : 0.50s CPU 0.54s WALL ( 1357 calls) cdiaghg:chol : 1.21s CPU 1.27s WALL ( 8500 calls) cdiaghg:inve : 0.52s CPU 0.43s WALL ( 8500 calls) cdiaghg:para : 1.61s CPU 1.63s WALL ( 17000 calls) Called by h_psi: h_psi:vloc : 21.60s CPU 22.26s WALL ( 9015 calls) h_psi:vnl : 2.04s CPU 2.03s WALL ( 9015 calls) add_vuspsi : 0.96s CPU 1.05s WALL ( 9015 calls) General routines calbec : 1.05s CPU 0.96s WALL ( 9015 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.08s CPU 20.66s WALL ( 489560 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.09s WALL ( 842 calls) Parallel routines fft_scatter : 9.80s CPU 10.15s WALL ( 489583 calls) PWSCF : 1m 2.57s CPU 1m26.85s WALL This run was terminated on: 20:57:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=