Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:48:28 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: ./CaxMgSbx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 35 10 3421 1627 248 Max 58 36 11 3432 1650 254 Sum 2065 1261 361 123257 58919 9013 bravais-lattice index = 14 lattice parameter (alat) = 8.8061 a.u. unit-cell volume = 961.9847 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.806123 celldm(2)= 1.000000 celldm(3)= 1.626609 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.626609 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.614776 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Sb 5.00 121.76000 Sb( 1.00) Mg 10.00 24.30500 Mg( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 286 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0034965 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0034965 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0034965 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0034965 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0034965 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0034965 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0034965 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0034965 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0034965 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0034965 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0034965 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0034965 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0034965 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0034965 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0034965 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0034965 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0034965 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0034965 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0034965 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0034965 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0034965 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0034965 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0034965 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0034965 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0034965 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0034965 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0034965 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0034965 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0034965 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0034965 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0034965 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0034965 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0034965 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0034965 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0034965 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0034965 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0034965 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0034965 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034965 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034965 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0034965 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0034965 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0034965 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0034965 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0034965 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0034965 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0034965 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0034965 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0034965 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0034965 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0034965 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0034965 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0034965 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0034965 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0034965 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0034965 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0034965 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0034965 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0034965 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0034965 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0034965 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0034965 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034965 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034965 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0034965 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0034965 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0034965 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0034965 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0034965 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0034965 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0034965 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0034965 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0034965 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0034965 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0034965 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0034965 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0034965 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0034965 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0034965 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0034965 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0034965 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0034965 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0034965 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0034965 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0034965 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0034965 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0034965 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0034965 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0034965 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0034965 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0034965 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0034965 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0034965 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0034965 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0034965 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0034965 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0034965 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0034965 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0034965 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0034965 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0034965 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0034965 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0034965 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0034965 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0034965 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0034965 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0034965 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0034965 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 112) = ( 0.0000000 0.0000000 0.0146375), wk = 0.0034965 k( 113) = ( 0.0000000 0.0000000 0.0292750), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.0439126), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0585501), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.0731876), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.0878251), wk = 0.0034965 k( 118) = ( 0.0000000 0.0000000 0.1024626), wk = 0.0034965 k( 119) = ( 0.0000000 0.0000000 0.1171001), wk = 0.0034965 k( 120) = ( 0.0000000 0.0000000 0.1317377), wk = 0.0034965 k( 121) = ( 0.0000000 0.0000000 0.1463752), wk = 0.0034965 k( 122) = ( 0.0000000 0.0000000 0.1610127), wk = 0.0034965 k( 123) = ( 0.0000000 0.0000000 0.1756502), wk = 0.0034965 k( 124) = ( 0.0000000 0.0000000 0.1902877), wk = 0.0034965 k( 125) = ( 0.0000000 0.0000000 0.2049252), wk = 0.0034965 k( 126) = ( 0.0000000 0.0000000 0.2195628), wk = 0.0034965 k( 127) = ( 0.0000000 0.0000000 0.2342003), wk = 0.0034965 k( 128) = ( 0.0000000 0.0000000 0.2488378), wk = 0.0034965 k( 129) = ( 0.0000000 0.0000000 0.2634753), wk = 0.0034965 k( 130) = ( 0.0000000 0.0000000 0.2781128), wk = 0.0034965 k( 131) = ( 0.0000000 0.0000000 0.2927503), wk = 0.0034965 k( 132) = ( 0.0000000 0.0000000 0.3073879), wk = 0.0034965 k( 133) = ( 0.0000000 0.0000000 0.3073879), wk = 0.0034965 k( 134) = ( 0.0128205 0.0074019 0.3073879), wk = 0.0034965 k( 135) = ( 0.0256410 0.0148039 0.3073879), wk = 0.0034965 k( 136) = ( 0.0384615 0.0222058 0.3073879), wk = 0.0034965 k( 137) = ( 0.0512821 0.0296077 0.3073879), wk = 0.0034965 k( 138) = ( 0.0641026 0.0370096 0.3073879), wk = 0.0034965 k( 139) = ( 0.0769231 0.0444116 0.3073879), wk = 0.0034965 k( 140) = ( 0.0897436 0.0518135 0.3073879), wk = 0.0034965 k( 141) = ( 0.1025641 0.0592154 0.3073879), wk = 0.0034965 k( 142) = ( 0.1153846 0.0666173 0.3073879), wk = 0.0034965 k( 143) = ( 0.1282051 0.0740193 0.3073879), wk = 0.0034965 k( 144) = ( 0.1410256 0.0814212 0.3073879), wk = 0.0034965 k( 145) = ( 0.1538461 0.0888231 0.3073879), wk = 0.0034965 k( 146) = ( 0.1666667 0.0962250 0.3073879), wk = 0.0034965 k( 147) = ( 0.1794872 0.1036270 0.3073879), wk = 0.0034965 k( 148) = ( 0.1923077 0.1110289 0.3073879), wk = 0.0034965 k( 149) = ( 0.2051282 0.1184308 0.3073879), wk = 0.0034965 k( 150) = ( 0.2179487 0.1258328 0.3073879), wk = 0.0034965 k( 151) = ( 0.2307692 0.1332347 0.3073879), wk = 0.0034965 k( 152) = ( 0.2435897 0.1406366 0.3073879), wk = 0.0034965 k( 153) = ( 0.2564103 0.1480385 0.3073879), wk = 0.0034965 k( 154) = ( 0.2692308 0.1554405 0.3073879), wk = 0.0034965 k( 155) = ( 0.2820513 0.1628424 0.3073879), wk = 0.0034965 k( 156) = ( 0.2948718 0.1702443 0.3073879), wk = 0.0034965 k( 157) = ( 0.3076923 0.1776462 0.3073879), wk = 0.0034965 k( 158) = ( 0.3205128 0.1850482 0.3073879), wk = 0.0034965 k( 159) = ( 0.3333333 0.1924501 0.3073879), wk = 0.0034965 k( 160) = ( 0.3461538 0.1998520 0.3073879), wk = 0.0034965 k( 161) = ( 0.3589744 0.2072539 0.3073879), wk = 0.0034965 k( 162) = ( 0.3717949 0.2146559 0.3073879), wk = 0.0034965 k( 163) = ( 0.3846154 0.2220578 0.3073879), wk = 0.0034965 k( 164) = ( 0.3974359 0.2294597 0.3073879), wk = 0.0034965 k( 165) = ( 0.4102564 0.2368616 0.3073879), wk = 0.0034965 k( 166) = ( 0.4230769 0.2442636 0.3073879), wk = 0.0034965 k( 167) = ( 0.4358974 0.2516655 0.3073879), wk = 0.0034965 k( 168) = ( 0.4487179 0.2590674 0.3073879), wk = 0.0034965 k( 169) = ( 0.4615385 0.2664694 0.3073879), wk = 0.0034965 k( 170) = ( 0.4743590 0.2738713 0.3073879), wk = 0.0034965 k( 171) = ( 0.4871795 0.2812732 0.3073879), wk = 0.0034965 k( 172) = ( 0.5000000 0.2886751 0.3073879), wk = 0.0034965 k( 173) = ( 0.5000000 0.2886751 0.3073879), wk = 0.0034965 k( 174) = ( 0.4927536 0.3012262 0.3073879), wk = 0.0034965 k( 175) = ( 0.4855073 0.3137773 0.3073879), wk = 0.0034965 k( 176) = ( 0.4782609 0.3263284 0.3073879), wk = 0.0034965 k( 177) = ( 0.4710145 0.3388795 0.3073879), wk = 0.0034965 k( 178) = ( 0.4637681 0.3514306 0.3073879), wk = 0.0034965 k( 179) = ( 0.4565217 0.3639817 0.3073879), wk = 0.0034965 k( 180) = ( 0.4492754 0.3765328 0.3073879), wk = 0.0034965 k( 181) = ( 0.4420290 0.3890839 0.3073879), wk = 0.0034965 k( 182) = ( 0.4347826 0.4016350 0.3073879), wk = 0.0034965 k( 183) = ( 0.4275362 0.4141861 0.3073879), wk = 0.0034965 k( 184) = ( 0.4202899 0.4267372 0.3073879), wk = 0.0034965 k( 185) = ( 0.4130435 0.4392882 0.3073879), wk = 0.0034965 k( 186) = ( 0.4057971 0.4518393 0.3073879), wk = 0.0034965 k( 187) = ( 0.3985507 0.4643904 0.3073879), wk = 0.0034965 k( 188) = ( 0.3913044 0.4769415 0.3073879), wk = 0.0034965 k( 189) = ( 0.3840580 0.4894926 0.3073879), wk = 0.0034965 k( 190) = ( 0.3768116 0.5020437 0.3073879), wk = 0.0034965 k( 191) = ( 0.3695652 0.5145948 0.3073879), wk = 0.0034965 k( 192) = ( 0.3623188 0.5271459 0.3073879), wk = 0.0034965 k( 193) = ( 0.3550725 0.5396970 0.3073879), wk = 0.0034965 k( 194) = ( 0.3478261 0.5522481 0.3073879), wk = 0.0034965 k( 195) = ( 0.3405797 0.5647992 0.3073879), wk = 0.0034965 k( 196) = ( 0.3333333 0.5773503 0.3073879), wk = 0.0034965 k( 197) = ( 0.3333333 0.5773503 0.3073879), wk = 0.0034965 k( 198) = ( 0.3259259 0.5645203 0.3073879), wk = 0.0034965 k( 199) = ( 0.3185185 0.5516903 0.3073879), wk = 0.0034965 k( 200) = ( 0.3111111 0.5388602 0.3073879), wk = 0.0034965 k( 201) = ( 0.3037037 0.5260302 0.3073879), wk = 0.0034965 k( 202) = ( 0.2962963 0.5132002 0.3073879), wk = 0.0034965 k( 203) = ( 0.2888889 0.5003702 0.3073879), wk = 0.0034965 k( 204) = ( 0.2814815 0.4875402 0.3073879), wk = 0.0034965 k( 205) = ( 0.2740741 0.4747102 0.3073879), wk = 0.0034965 k( 206) = ( 0.2666667 0.4618802 0.3073879), wk = 0.0034965 k( 207) = ( 0.2592593 0.4490502 0.3073879), wk = 0.0034965 k( 208) = ( 0.2518518 0.4362202 0.3073879), wk = 0.0034965 k( 209) = ( 0.2444444 0.4233902 0.3073879), wk = 0.0034965 k( 210) = ( 0.2370370 0.4105602 0.3073879), wk = 0.0034965 k( 211) = ( 0.2296296 0.3977302 0.3073879), wk = 0.0034965 k( 212) = ( 0.2222222 0.3849002 0.3073879), wk = 0.0034965 k( 213) = ( 0.2148148 0.3720702 0.3073879), wk = 0.0034965 k( 214) = ( 0.2074074 0.3592402 0.3073879), wk = 0.0034965 k( 215) = ( 0.2000000 0.3464102 0.3073879), wk = 0.0034965 k( 216) = ( 0.1925926 0.3335802 0.3073879), wk = 0.0034965 k( 217) = ( 0.1851852 0.3207502 0.3073879), wk = 0.0034965 k( 218) = ( 0.1777778 0.3079201 0.3073879), wk = 0.0034965 k( 219) = ( 0.1703704 0.2950901 0.3073879), wk = 0.0034965 k( 220) = ( 0.1629630 0.2822601 0.3073879), wk = 0.0034965 k( 221) = ( 0.1555556 0.2694301 0.3073879), wk = 0.0034965 k( 222) = ( 0.1481482 0.2566001 0.3073879), wk = 0.0034965 k( 223) = ( 0.1407407 0.2437701 0.3073879), wk = 0.0034965 k( 224) = ( 0.1333333 0.2309401 0.3073879), wk = 0.0034965 k( 225) = ( 0.1259259 0.2181101 0.3073879), wk = 0.0034965 k( 226) = ( 0.1185185 0.2052801 0.3073879), wk = 0.0034965 k( 227) = ( 0.1111111 0.1924501 0.3073879), wk = 0.0034965 k( 228) = ( 0.1037037 0.1796201 0.3073879), wk = 0.0034965 k( 229) = ( 0.0962963 0.1667901 0.3073879), wk = 0.0034965 k( 230) = ( 0.0888889 0.1539601 0.3073879), wk = 0.0034965 k( 231) = ( 0.0814815 0.1411301 0.3073879), wk = 0.0034965 k( 232) = ( 0.0740741 0.1283001 0.3073879), wk = 0.0034965 k( 233) = ( 0.0666667 0.1154701 0.3073879), wk = 0.0034965 k( 234) = ( 0.0592593 0.1026400 0.3073879), wk = 0.0034965 k( 235) = ( 0.0518518 0.0898100 0.3073879), wk = 0.0034965 k( 236) = ( 0.0444444 0.0769800 0.3073879), wk = 0.0034965 k( 237) = ( 0.0370370 0.0641500 0.3073879), wk = 0.0034965 k( 238) = ( 0.0296296 0.0513200 0.3073879), wk = 0.0034965 k( 239) = ( 0.0222222 0.0384900 0.3073879), wk = 0.0034965 k( 240) = ( 0.0148148 0.0256600 0.3073879), wk = 0.0034965 k( 241) = ( 0.0074074 0.0128300 0.3073879), wk = 0.0034965 k( 242) = ( 0.0000000 0.0000000 0.3073879), wk = 0.0034965 k( 243) = ( 0.5000000 0.2886751 0.3073879), wk = 0.0034965 k( 244) = ( 0.5000000 0.2886751 0.2927503), wk = 0.0034965 k( 245) = ( 0.5000000 0.2886751 0.2781128), wk = 0.0034965 k( 246) = ( 0.5000000 0.2886751 0.2634753), wk = 0.0034965 k( 247) = ( 0.5000000 0.2886751 0.2488378), wk = 0.0034965 k( 248) = ( 0.5000000 0.2886751 0.2342003), wk = 0.0034965 k( 249) = ( 0.5000000 0.2886751 0.2195628), wk = 0.0034965 k( 250) = ( 0.5000000 0.2886751 0.2049252), wk = 0.0034965 k( 251) = ( 0.5000000 0.2886751 0.1902877), wk = 0.0034965 k( 252) = ( 0.5000000 0.2886751 0.1756502), wk = 0.0034965 k( 253) = ( 0.5000000 0.2886751 0.1610127), wk = 0.0034965 k( 254) = ( 0.5000000 0.2886751 0.1463752), wk = 0.0034965 k( 255) = ( 0.5000000 0.2886751 0.1317377), wk = 0.0034965 k( 256) = ( 0.5000000 0.2886751 0.1171001), wk = 0.0034965 k( 257) = ( 0.5000000 0.2886751 0.1024626), wk = 0.0034965 k( 258) = ( 0.5000000 0.2886751 0.0878251), wk = 0.0034965 k( 259) = ( 0.5000000 0.2886751 0.0731876), wk = 0.0034965 k( 260) = ( 0.5000000 0.2886751 0.0585501), wk = 0.0034965 k( 261) = ( 0.5000000 0.2886751 0.0439126), wk = 0.0034965 k( 262) = ( 0.5000000 0.2886751 0.0292750), wk = 0.0034965 k( 263) = ( 0.5000000 0.2886751 0.0146375), wk = 0.0034965 k( 264) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034965 k( 265) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034965 k( 266) = ( 0.3333333 0.5773503 0.0146375), wk = 0.0034965 k( 267) = ( 0.3333333 0.5773503 0.0292750), wk = 0.0034965 k( 268) = ( 0.3333333 0.5773503 0.0439126), wk = 0.0034965 k( 269) = ( 0.3333333 0.5773503 0.0585501), wk = 0.0034965 k( 270) = ( 0.3333333 0.5773503 0.0731876), wk = 0.0034965 k( 271) = ( 0.3333333 0.5773503 0.0878251), wk = 0.0034965 k( 272) = ( 0.3333333 0.5773503 0.1024626), wk = 0.0034965 k( 273) = ( 0.3333333 0.5773503 0.1171001), wk = 0.0034965 k( 274) = ( 0.3333333 0.5773503 0.1317377), wk = 0.0034965 k( 275) = ( 0.3333333 0.5773503 0.1463752), wk = 0.0034965 k( 276) = ( 0.3333333 0.5773503 0.1610127), wk = 0.0034965 k( 277) = ( 0.3333333 0.5773503 0.1756502), wk = 0.0034965 k( 278) = ( 0.3333333 0.5773503 0.1902877), wk = 0.0034965 k( 279) = ( 0.3333333 0.5773503 0.2049252), wk = 0.0034965 k( 280) = ( 0.3333333 0.5773503 0.2195628), wk = 0.0034965 k( 281) = ( 0.3333333 0.5773503 0.2342003), wk = 0.0034965 k( 282) = ( 0.3333333 0.5773503 0.2488378), wk = 0.0034965 k( 283) = ( 0.3333333 0.5773503 0.2634753), wk = 0.0034965 k( 284) = ( 0.3333333 0.5773503 0.2781128), wk = 0.0034965 k( 285) = ( 0.3333333 0.5773503 0.2927503), wk = 0.0034965 k( 286) = ( 0.3333333 0.5773503 0.3073879), wk = 0.0034965 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0034965 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0034965 k( 4) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0034965 k( 5) = ( 0.0512821 0.0000000 -0.0000000), wk = 0.0034965 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0034965 k( 7) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0034965 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0034965 k( 9) = ( 0.1025641 0.0000000 -0.0000000), wk = 0.0034965 k( 10) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0034965 k( 11) = ( 0.1282051 0.0000000 -0.0000000), wk = 0.0034965 k( 12) = ( 0.1410256 0.0000000 -0.0000000), wk = 0.0034965 k( 13) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0034965 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0034965 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0034965 k( 16) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0034965 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0034965 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0034965 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0034965 k( 20) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0034965 k( 21) = ( 0.2564103 0.0000000 -0.0000000), wk = 0.0034965 k( 22) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0034965 k( 23) = ( 0.2820513 0.0000000 -0.0000000), wk = 0.0034965 k( 24) = ( 0.2948718 -0.0000000 0.0000000), wk = 0.0034965 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0034965 k( 26) = ( 0.3205128 -0.0000000 0.0000000), wk = 0.0034965 k( 27) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0034965 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0034965 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0034965 k( 30) = ( 0.3717949 -0.0000000 0.0000000), wk = 0.0034965 k( 31) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0034965 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0034965 k( 33) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0034965 k( 34) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0034965 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0034965 k( 36) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0034965 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0034965 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0034965 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0034965 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034965 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034965 k( 42) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0034965 k( 43) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0034965 k( 44) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0034965 k( 45) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0034965 k( 46) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0034965 k( 47) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0034965 k( 48) = ( 0.4492754 0.1014493 -0.0000000), wk = 0.0034965 k( 49) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0034965 k( 50) = ( 0.4347826 0.1304348 -0.0000000), wk = 0.0034965 k( 51) = ( 0.4275362 0.1449275 -0.0000000), wk = 0.0034965 k( 52) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0034965 k( 53) = ( 0.4130435 0.1739130 -0.0000000), wk = 0.0034965 k( 54) = ( 0.4057971 0.1884058 -0.0000000), wk = 0.0034965 k( 55) = ( 0.3985507 0.2028985 -0.0000000), wk = 0.0034965 k( 56) = ( 0.3913044 0.2173913 -0.0000000), wk = 0.0034965 k( 57) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0034965 k( 58) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0034965 k( 59) = ( 0.3695652 0.2608696 -0.0000000), wk = 0.0034965 k( 60) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0034965 k( 61) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0034965 k( 62) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0034965 k( 63) = ( 0.3405797 0.3188406 -0.0000000), wk = 0.0034965 k( 64) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034965 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034965 k( 66) = ( 0.3259259 0.3259259 -0.0000000), wk = 0.0034965 k( 67) = ( 0.3185185 0.3185185 0.0000000), wk = 0.0034965 k( 68) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0034965 k( 69) = ( 0.3037037 0.3037037 -0.0000000), wk = 0.0034965 k( 70) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0034965 k( 71) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0034965 k( 72) = ( 0.2814815 0.2814815 0.0000000), wk = 0.0034965 k( 73) = ( 0.2740741 0.2740741 0.0000000), wk = 0.0034965 k( 74) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0034965 k( 75) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0034965 k( 76) = ( 0.2518518 0.2518518 -0.0000000), wk = 0.0034965 k( 77) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0034965 k( 78) = ( 0.2370370 0.2370370 -0.0000000), wk = 0.0034965 k( 79) = ( 0.2296296 0.2296296 0.0000000), wk = 0.0034965 k( 80) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034965 k( 81) = ( 0.2148148 0.2148148 -0.0000000), wk = 0.0034965 k( 82) = ( 0.2074074 0.2074074 -0.0000000), wk = 0.0034965 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0034965 k( 84) = ( 0.1925926 0.1925926 0.0000000), wk = 0.0034965 k( 85) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0034965 k( 86) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0034965 k( 87) = ( 0.1703704 0.1703704 -0.0000000), wk = 0.0034965 k( 88) = ( 0.1629630 0.1629630 -0.0000000), wk = 0.0034965 k( 89) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0034965 k( 90) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0034965 k( 91) = ( 0.1407407 0.1407407 0.0000000), wk = 0.0034965 k( 92) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0034965 k( 93) = ( 0.1259259 0.1259259 -0.0000000), wk = 0.0034965 k( 94) = ( 0.1185185 0.1185185 -0.0000000), wk = 0.0034965 k( 95) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034965 k( 96) = ( 0.1037037 0.1037037 -0.0000000), wk = 0.0034965 k( 97) = ( 0.0962963 0.0962963 -0.0000000), wk = 0.0034965 k( 98) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0034965 k( 99) = ( 0.0814815 0.0814815 -0.0000000), wk = 0.0034965 k( 100) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0034965 k( 101) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0034965 k( 102) = ( 0.0592593 0.0592593 -0.0000000), wk = 0.0034965 k( 103) = ( 0.0518518 0.0518518 -0.0000000), wk = 0.0034965 k( 104) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0034965 k( 105) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0034965 k( 106) = ( 0.0296296 0.0296296 -0.0000000), wk = 0.0034965 k( 107) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0034965 k( 108) = ( 0.0148148 0.0148148 0.0000000), wk = 0.0034965 k( 109) = ( 0.0074074 0.0074074 -0.0000000), wk = 0.0034965 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 112) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034965 k( 113) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034965 k( 118) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034965 k( 119) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034965 k( 120) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034965 k( 121) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034965 k( 122) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034965 k( 123) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034965 k( 124) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034965 k( 125) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034965 k( 126) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034965 k( 127) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034965 k( 128) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034965 k( 129) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034965 k( 130) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034965 k( 131) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034965 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 134) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0034965 k( 135) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0034965 k( 136) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0034965 k( 137) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0034965 k( 138) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0034965 k( 139) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0034965 k( 140) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0034965 k( 141) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0034965 k( 142) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0034965 k( 143) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0034965 k( 144) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0034965 k( 145) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0034965 k( 146) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0034965 k( 147) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0034965 k( 148) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0034965 k( 149) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0034965 k( 150) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0034965 k( 151) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0034965 k( 152) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0034965 k( 153) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0034965 k( 154) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0034965 k( 155) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0034965 k( 156) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0034965 k( 157) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0034965 k( 158) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0034965 k( 159) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0034965 k( 160) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0034965 k( 161) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0034965 k( 162) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0034965 k( 163) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0034965 k( 164) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0034965 k( 165) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0034965 k( 166) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0034965 k( 167) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0034965 k( 168) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0034965 k( 169) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0034965 k( 170) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0034965 k( 171) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0034965 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034965 k( 173) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034965 k( 174) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0034965 k( 175) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0034965 k( 176) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0034965 k( 177) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0034965 k( 178) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0034965 k( 179) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0034965 k( 180) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0034965 k( 181) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0034965 k( 182) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0034965 k( 183) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0034965 k( 184) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0034965 k( 185) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0034965 k( 186) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0034965 k( 187) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0034965 k( 188) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0034965 k( 189) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0034965 k( 190) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0034965 k( 191) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0034965 k( 192) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0034965 k( 193) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0034965 k( 194) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0034965 k( 195) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0034965 k( 196) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034965 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034965 k( 198) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0034965 k( 199) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0034965 k( 200) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0034965 k( 201) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0034965 k( 202) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0034965 k( 203) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0034965 k( 204) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0034965 k( 205) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0034965 k( 206) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0034965 k( 207) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0034965 k( 208) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0034965 k( 209) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0034965 k( 210) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0034965 k( 211) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0034965 k( 212) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0034965 k( 213) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0034965 k( 214) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0034965 k( 215) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0034965 k( 216) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0034965 k( 217) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0034965 k( 218) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0034965 k( 219) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0034965 k( 220) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0034965 k( 221) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0034965 k( 222) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0034965 k( 223) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0034965 k( 224) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0034965 k( 225) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0034965 k( 226) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0034965 k( 227) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0034965 k( 228) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0034965 k( 229) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0034965 k( 230) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0034965 k( 231) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0034965 k( 232) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0034965 k( 233) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0034965 k( 234) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0034965 k( 235) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0034965 k( 236) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0034965 k( 237) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0034965 k( 238) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0034965 k( 239) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0034965 k( 240) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0034965 k( 241) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0034965 k( 242) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 243) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034965 k( 244) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0034965 k( 245) = ( 0.5000000 0.0000000 0.4523809), wk = 0.0034965 k( 246) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0034965 k( 247) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0034965 k( 248) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0034965 k( 249) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0034965 k( 250) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034965 k( 251) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0034965 k( 252) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0034965 k( 253) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0034965 k( 254) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0034965 k( 255) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0034965 k( 256) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0034965 k( 257) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034965 k( 258) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0034965 k( 259) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0034965 k( 260) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0034965 k( 261) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0034965 k( 262) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0034965 k( 263) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0034965 k( 264) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034965 k( 265) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034965 k( 266) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0034965 k( 267) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0034965 k( 268) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0034965 k( 269) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0034965 k( 270) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0034965 k( 271) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0034965 k( 272) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034965 k( 273) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0034965 k( 274) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0034965 k( 275) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0034965 k( 276) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0034965 k( 277) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0034965 k( 278) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0034965 k( 279) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034965 k( 280) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0034965 k( 281) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0034965 k( 282) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0034965 k( 283) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0034965 k( 284) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0034965 k( 285) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0034965 k( 286) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034965 Dense grid: 123257 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 58919 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 444, 48) NL pseudopotentials 0.44 Mb ( 222, 130) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3425) G-vector shells 0.01 Mb ( 1612) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 444, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./CaxMgSbx2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.7 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 13.4 secs Computing kpt #: 11 total cpu time spent up to now is 14.4 secs Computing kpt #: 12 total cpu time spent up to now is 15.4 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.2 secs Computing kpt #: 15 total cpu time spent up to now is 18.2 secs Computing kpt #: 16 total cpu time spent up to now is 19.1 secs Computing kpt #: 17 total cpu time spent up to now is 20.1 secs Computing kpt #: 18 total cpu time spent up to now is 20.9 secs Computing kpt #: 19 total cpu time spent up to now is 21.8 secs Computing kpt #: 20 total cpu time spent up to now is 22.7 secs Computing kpt #: 21 total cpu time spent up to now is 23.5 secs Computing kpt #: 22 total cpu time spent up to now is 24.4 secs Computing kpt #: 23 total cpu time spent up to now is 25.3 secs Computing kpt #: 24 total cpu time spent up to now is 26.2 secs Computing kpt #: 25 total cpu time spent up to now is 27.1 secs Computing kpt #: 26 total cpu time spent up to now is 27.9 secs Computing kpt #: 27 total cpu time spent up to now is 28.8 secs Computing kpt #: 28 total cpu time spent up to now is 29.7 secs Computing kpt #: 29 total cpu time spent up to now is 30.6 secs Computing kpt #: 30 total cpu time spent up to now is 31.5 secs Computing kpt #: 31 total cpu time spent up to now is 32.3 secs Computing kpt #: 32 total cpu time spent up to now is 33.1 secs Computing kpt #: 33 total cpu time spent up to now is 34.0 secs Computing kpt #: 34 total cpu time spent up to now is 34.9 secs Computing kpt #: 35 total cpu time spent up to now is 35.9 secs Computing kpt #: 36 total cpu time spent up to now is 37.0 secs Computing kpt #: 37 total cpu time spent up to now is 37.9 secs Computing kpt #: 38 total cpu time spent up to now is 39.2 secs Computing kpt #: 39 total cpu time spent up to now is 40.7 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.4 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.0 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.6 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.2 secs Computing kpt #: 44 total cpu time spent up to now is 48.2 secs Computing kpt #: 45 total cpu time spent up to now is 49.1 secs Computing kpt #: 46 total cpu time spent up to now is 49.9 secs Computing kpt #: 47 total cpu time spent up to now is 50.7 secs Computing kpt #: 48 total cpu time spent up to now is 51.4 secs Computing kpt #: 49 total cpu time spent up to now is 52.2 secs Computing kpt #: 50 total cpu time spent up to now is 52.9 secs Computing kpt #: 51 total cpu time spent up to now is 53.6 secs Computing kpt #: 52 total cpu time spent up to now is 54.3 secs Computing kpt #: 53 total cpu time spent up to now is 55.0 secs Computing kpt #: 54 total cpu time spent up to now is 55.7 secs Computing kpt #: 55 total cpu time spent up to now is 56.4 secs Computing kpt #: 56 total cpu time spent up to now is 57.1 secs Computing kpt #: 57 total cpu time spent up to now is 57.8 secs Computing kpt #: 58 total cpu time spent up to now is 58.6 secs Computing kpt #: 59 total cpu time spent up to now is 59.3 secs Computing kpt #: 60 total cpu time spent up to now is 60.1 secs Computing kpt #: 61 total cpu time spent up to now is 60.9 secs Computing kpt #: 62 total cpu time spent up to now is 61.7 secs Computing kpt #: 63 total cpu time spent up to now is 62.6 secs Computing kpt #: 64 total cpu time spent up to now is 63.4 secs Computing kpt #: 65 total cpu time spent up to now is 64.4 secs Computing kpt #: 66 total cpu time spent up to now is 65.4 secs Computing kpt #: 67 total cpu time spent up to now is 66.5 secs Computing kpt #: 68 total cpu time spent up to now is 67.5 secs Computing kpt #: 69 total cpu time spent up to now is 68.2 secs Computing kpt #: 70 total cpu time spent up to now is 69.1 secs Computing kpt #: 71 total cpu time spent up to now is 69.9 secs Computing kpt #: 72 total cpu time spent up to now is 70.8 secs Computing kpt #: 73 total cpu time spent up to now is 71.5 secs Computing kpt #: 74 total cpu time spent up to now is 72.4 secs Computing kpt #: 75 total cpu time spent up to now is 73.2 secs Computing kpt #: 76 total cpu time spent up to now is 74.0 secs Computing kpt #: 77 total cpu time spent up to now is 74.8 secs Computing kpt #: 78 total cpu time spent up to now is 75.6 secs Computing kpt #: 79 total cpu time spent up to now is 76.4 secs Computing kpt #: 80 total cpu time spent up to now is 77.2 secs Computing kpt #: 81 total cpu time spent up to now is 77.9 secs Computing kpt #: 82 total cpu time spent up to now is 78.6 secs Computing kpt #: 83 total cpu time spent up to now is 79.4 secs Computing kpt #: 84 total cpu time spent up to now is 80.1 secs Computing kpt #: 85 total cpu time spent up to now is 80.9 secs Computing kpt #: 86 total cpu time spent up to now is 81.7 secs Computing kpt #: 87 total cpu time spent up to now is 82.5 secs Computing kpt #: 88 total cpu time spent up to now is 83.2 secs Computing kpt #: 89 total cpu time spent up to now is 84.0 secs Computing kpt #: 90 total cpu time spent up to now is 84.8 secs Computing kpt #: 91 total cpu time spent up to now is 85.6 secs Computing kpt #: 92 total cpu time spent up to now is 86.5 secs Computing kpt #: 93 total cpu time spent up to now is 87.4 secs Computing kpt #: 94 total cpu time spent up to now is 88.3 secs Computing kpt #: 95 total cpu time spent up to now is 89.3 secs Computing kpt #: 96 total cpu time spent up to now is 90.2 secs Computing kpt #: 97 total cpu time spent up to now is 91.3 secs Computing kpt #: 98 total cpu time spent up to now is 92.3 secs Computing kpt #: 99 total cpu time spent up to now is 93.2 secs Computing kpt #: 100 total cpu time spent up to now is 94.1 secs Computing kpt #: 101 total cpu time spent up to now is 95.0 secs Computing kpt #: 102 total cpu time spent up to now is 95.9 secs Computing kpt #: 103 total cpu time spent up to now is 96.8 secs Computing kpt #: 104 total cpu time spent up to now is 97.7 secs Computing kpt #: 105 total cpu time spent up to now is 98.6 secs Computing kpt #: 106 total cpu time spent up to now is 99.5 secs Computing kpt #: 107 total cpu time spent up to now is 100.4 secs Computing kpt #: 108 total cpu time spent up to now is 101.4 secs Computing kpt #: 109 total cpu time spent up to now is 102.3 secs Computing kpt #: 110 total cpu time spent up to now is 103.2 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.8 secs Computing kpt #: 112 total cpu time spent up to now is 105.9 secs Computing kpt #: 113 total cpu time spent up to now is 107.0 secs Computing kpt #: 114 total cpu time spent up to now is 108.0 secs Computing kpt #: 115 total cpu time spent up to now is 108.9 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.5 secs Computing kpt #: 117 total cpu time spent up to now is 111.4 secs Computing kpt #: 118 total cpu time spent up to now is 112.3 secs Computing kpt #: 119 total cpu time spent up to now is 113.1 secs Computing kpt #: 120 total cpu time spent up to now is 113.8 secs Computing kpt #: 121 total cpu time spent up to now is 114.6 secs Computing kpt #: 122 total cpu time spent up to now is 115.3 secs Computing kpt #: 123 total cpu time spent up to now is 116.0 secs Computing kpt #: 124 total cpu time spent up to now is 116.7 secs Computing kpt #: 125 total cpu time spent up to now is 117.4 secs Computing kpt #: 126 total cpu time spent up to now is 118.2 secs Computing kpt #: 127 total cpu time spent up to now is 118.8 secs Computing kpt #: 128 total cpu time spent up to now is 119.5 secs Computing kpt #: 129 total cpu time spent up to now is 120.2 secs Computing kpt #: 130 total cpu time spent up to now is 120.9 secs Computing kpt #: 131 total cpu time spent up to now is 121.6 secs Computing kpt #: 132 total cpu time spent up to now is 122.3 secs Computing kpt #: 133 total cpu time spent up to now is 123.0 secs Computing kpt #: 134 total cpu time spent up to now is 123.7 secs Computing kpt #: 135 total cpu time spent up to now is 124.4 secs Computing kpt #: 136 total cpu time spent up to now is 125.1 secs Computing kpt #: 137 total cpu time spent up to now is 125.8 secs Computing kpt #: 138 total cpu time spent up to now is 126.6 secs Computing kpt #: 139 total cpu time spent up to now is 127.3 secs Computing kpt #: 140 total cpu time spent up to now is 128.1 secs Computing kpt #: 141 total cpu time spent up to now is 128.9 secs Computing kpt #: 142 total cpu time spent up to now is 129.6 secs Computing kpt #: 143 total cpu time spent up to now is 130.4 secs Computing kpt #: 144 total cpu time spent up to now is 131.3 secs Computing kpt #: 145 total cpu time spent up to now is 132.1 secs Computing kpt #: 146 total cpu time spent up to now is 133.1 secs Computing kpt #: 147 total cpu time spent up to now is 134.0 secs Computing kpt #: 148 total cpu time spent up to now is 134.9 secs Computing kpt #: 149 total cpu time spent up to now is 135.8 secs Computing kpt #: 150 total cpu time spent up to now is 136.8 secs Computing kpt #: 151 total cpu time spent up to now is 137.9 secs Computing kpt #: 152 total cpu time spent up to now is 139.0 secs Computing kpt #: 153 total cpu time spent up to now is 139.7 secs Computing kpt #: 154 total cpu time spent up to now is 140.5 secs Computing kpt #: 155 total cpu time spent up to now is 141.1 secs Computing kpt #: 156 total cpu time spent up to now is 141.7 secs Computing kpt #: 157 total cpu time spent up to now is 142.3 secs Computing kpt #: 158 total cpu time spent up to now is 143.0 secs Computing kpt #: 159 total cpu time spent up to now is 143.6 secs Computing kpt #: 160 total cpu time spent up to now is 144.1 secs Computing kpt #: 161 total cpu time spent up to now is 144.6 secs Computing kpt #: 162 total cpu time spent up to now is 145.1 secs Computing kpt #: 163 total cpu time spent up to now is 145.7 secs Computing kpt #: 164 total cpu time spent up to now is 146.2 secs Computing kpt #: 165 total cpu time spent up to now is 146.8 secs Computing kpt #: 166 total cpu time spent up to now is 147.4 secs Computing kpt #: 167 total cpu time spent up to now is 148.0 secs Computing kpt #: 168 total cpu time spent up to now is 148.6 secs Computing kpt #: 169 total cpu time spent up to now is 149.1 secs Computing kpt #: 170 total cpu time spent up to now is 149.6 secs Computing kpt #: 171 total cpu time spent up to now is 150.1 secs Computing kpt #: 172 total cpu time spent up to now is 150.6 secs Computing kpt #: 173 total cpu time spent up to now is 151.2 secs Computing kpt #: 174 total cpu time spent up to now is 151.8 secs Computing kpt #: 175 total cpu time spent up to now is 152.4 secs Computing kpt #: 176 total cpu time spent up to now is 153.0 secs Computing kpt #: 177 total cpu time spent up to now is 153.5 secs Computing kpt #: 178 total cpu time spent up to now is 154.2 secs Computing kpt #: 179 total cpu time spent up to now is 154.8 secs Computing kpt #: 180 total cpu time spent up to now is 155.4 secs Computing kpt #: 181 total cpu time spent up to now is 156.0 secs Computing kpt #: 182 total cpu time spent up to now is 156.6 secs Computing kpt #: 183 total cpu time spent up to now is 157.2 secs Computing kpt #: 184 total cpu time spent up to now is 157.8 secs Computing kpt #: 185 total cpu time spent up to now is 158.5 secs Computing kpt #: 186 total cpu time spent up to now is 159.2 secs Computing kpt #: 187 total cpu time spent up to now is 160.1 secs Computing kpt #: 188 total cpu time spent up to now is 160.9 secs Computing kpt #: 189 total cpu time spent up to now is 161.7 secs Computing kpt #: 190 total cpu time spent up to now is 162.5 secs Computing kpt #: 191 total cpu time spent up to now is 163.2 secs Computing kpt #: 192 total cpu time spent up to now is 164.0 secs Computing kpt #: 193 total cpu time spent up to now is 164.7 secs Computing kpt #: 194 total cpu time spent up to now is 165.4 secs Computing kpt #: 195 total cpu time spent up to now is 166.1 secs Computing kpt #: 196 total cpu time spent up to now is 166.8 secs Computing kpt #: 197 total cpu time spent up to now is 167.6 secs Computing kpt #: 198 total cpu time spent up to now is 168.3 secs Computing kpt #: 199 total cpu time spent up to now is 169.1 secs Computing kpt #: 200 total cpu time spent up to now is 169.8 secs Computing kpt #: 201 total cpu time spent up to now is 170.5 secs Computing kpt #: 202 total cpu time spent up to now is 171.3 secs Computing kpt #: 203 total cpu time spent up to now is 172.2 secs Computing kpt #: 204 total cpu time spent up to now is 173.0 secs Computing kpt #: 205 total cpu time spent up to now is 173.8 secs Computing kpt #: 206 total cpu time spent up to now is 174.5 secs Computing kpt #: 207 total cpu time spent up to now is 175.3 secs Computing kpt #: 208 total cpu time spent up to now is 176.1 secs Computing kpt #: 209 total cpu time spent up to now is 176.8 secs Computing kpt #: 210 total cpu time spent up to now is 177.6 secs Computing kpt #: 211 total cpu time spent up to now is 178.4 secs Computing kpt #: 212 total cpu time spent up to now is 179.3 secs Computing kpt #: 213 total cpu time spent up to now is 180.1 secs Computing kpt #: 214 total cpu time spent up to now is 181.0 secs Computing kpt #: 215 total cpu time spent up to now is 181.9 secs Computing kpt #: 216 total cpu time spent up to now is 182.8 secs Computing kpt #: 217 total cpu time spent up to now is 183.6 secs Computing kpt #: 218 total cpu time spent up to now is 184.5 secs Computing kpt #: 219 total cpu time spent up to now is 185.4 secs Computing kpt #: 220 total cpu time spent up to now is 186.2 secs Computing kpt #: 221 total cpu time spent up to now is 186.9 secs Computing kpt #: 222 total cpu time spent up to now is 187.6 secs Computing kpt #: 223 total cpu time spent up to now is 188.3 secs Computing kpt #: 224 total cpu time spent up to now is 188.9 secs Computing kpt #: 225 total cpu time spent up to now is 189.6 secs Computing kpt #: 226 total cpu time spent up to now is 190.2 secs Computing kpt #: 227 total cpu time spent up to now is 190.9 secs Computing kpt #: 228 total cpu time spent up to now is 191.6 secs Computing kpt #: 229 total cpu time spent up to now is 192.3 secs Computing kpt #: 230 total cpu time spent up to now is 193.0 secs Computing kpt #: 231 total cpu time spent up to now is 193.9 secs Computing kpt #: 232 total cpu time spent up to now is 194.9 secs Computing kpt #: 233 total cpu time spent up to now is 195.7 secs Computing kpt #: 234 total cpu time spent up to now is 196.5 secs Computing kpt #: 235 total cpu time spent up to now is 197.2 secs Computing kpt #: 236 total cpu time spent up to now is 197.9 secs Computing kpt #: 237 total cpu time spent up to now is 198.6 secs Computing kpt #: 238 total cpu time spent up to now is 199.3 secs Computing kpt #: 239 total cpu time spent up to now is 200.0 secs Computing kpt #: 240 total cpu time spent up to now is 200.7 secs Computing kpt #: 241 total cpu time spent up to now is 201.4 secs Computing kpt #: 242 total cpu time spent up to now is 202.1 secs Computing kpt #: 243 total cpu time spent up to now is 202.6 secs Computing kpt #: 244 total cpu time spent up to now is 203.1 secs Computing kpt #: 245 total cpu time spent up to now is 203.7 secs Computing kpt #: 246 total cpu time spent up to now is 204.3 secs Computing kpt #: 247 total cpu time spent up to now is 204.9 secs Computing kpt #: 248 total cpu time spent up to now is 205.5 secs Computing kpt #: 249 total cpu time spent up to now is 206.1 secs Computing kpt #: 250 total cpu time spent up to now is 206.7 secs Computing kpt #: 251 total cpu time spent up to now is 207.3 secs Computing kpt #: 252 total cpu time spent up to now is 207.9 secs Computing kpt #: 253 total cpu time spent up to now is 208.5 secs Computing kpt #: 254 total cpu time spent up to now is 209.2 secs Computing kpt #: 255 total cpu time spent up to now is 210.1 secs Computing kpt #: 256 total cpu time spent up to now is 211.1 secs Computing kpt #: 257 total cpu time spent up to now is 212.5 secs Computing kpt #: 258 total cpu time spent up to now is 214.0 secs Computing kpt #: 259 total cpu time spent up to now is 215.0 secs Computing kpt #: 260 total cpu time spent up to now is 216.4 secs Computing kpt #: 261 total cpu time spent up to now is 217.9 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.6 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.2 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.8 secs Computing kpt #: 265 total cpu time spent up to now is 223.7 secs Computing kpt #: 266 total cpu time spent up to now is 224.6 secs Computing kpt #: 267 total cpu time spent up to now is 225.5 secs Computing kpt #: 268 total cpu time spent up to now is 226.4 secs Computing kpt #: 269 total cpu time spent up to now is 227.3 secs Computing kpt #: 270 total cpu time spent up to now is 228.1 secs Computing kpt #: 271 total cpu time spent up to now is 229.0 secs Computing kpt #: 272 total cpu time spent up to now is 229.9 secs Computing kpt #: 273 total cpu time spent up to now is 230.7 secs Computing kpt #: 274 total cpu time spent up to now is 231.7 secs Computing kpt #: 275 total cpu time spent up to now is 232.6 secs Computing kpt #: 276 total cpu time spent up to now is 233.3 secs Computing kpt #: 277 total cpu time spent up to now is 234.2 secs Computing kpt #: 278 total cpu time spent up to now is 235.0 secs Computing kpt #: 279 total cpu time spent up to now is 235.8 secs Computing kpt #: 280 total cpu time spent up to now is 236.6 secs Computing kpt #: 281 total cpu time spent up to now is 237.5 secs Computing kpt #: 282 total cpu time spent up to now is 238.3 secs Computing kpt #: 283 total cpu time spent up to now is 239.1 secs Computing kpt #: 284 total cpu time spent up to now is 239.8 secs Computing kpt #: 285 total cpu time spent up to now is 240.6 secs Computing kpt #: 286 total cpu time spent up to now is 241.3 secs ethr = 2.50E-08, avg # of iterations = 41.7 total cpu time spent up to now is 241.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7463 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1045 -37.1045 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.1051 -4.1051 -3.1237 -3.1237 1.4392 1.4392 4.2760 4.2760 4.6086 4.6086 5.0531 5.0531 5.6827 5.6827 5.7743 5.7743 7.0721 7.0721 7.3587 7.3587 7.8675 7.8675 8.0672 8.0691 k = 0.0128 0.0074-0.0000 ( 7445 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6464 -16.6464 -4.1041 -4.1041 -3.1232 -3.1232 1.4406 1.4406 4.2716 4.2716 4.6033 4.6033 5.0477 5.0477 5.6728 5.6728 5.7699 5.7699 7.0801 7.0801 7.3697 7.3697 7.8700 7.8700 8.0708 8.0708 k = 0.0256 0.0148-0.0000 ( 7441 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6464 -16.6464 -4.1009 -4.1009 -3.1217 -3.1217 1.4447 1.4447 4.2581 4.2581 4.5880 4.5880 5.0314 5.0314 5.6433 5.6433 5.7583 5.7583 7.1033 7.1033 7.4003 7.4003 7.8770 7.8770 8.0823 8.0823 k = 0.0385 0.0222-0.0000 ( 7433 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6465 -16.6465 -4.0957 -4.0957 -3.1192 -3.1192 1.4515 1.4515 4.2345 4.2345 4.5646 4.5646 5.0036 5.0036 5.5965 5.5965 5.7418 5.7418 7.1405 7.1405 7.4446 7.4446 7.8878 7.8878 8.1013 8.1013 k = 0.0513 0.0296-0.0000 ( 7417 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0332 -17.0332 -16.6623 -16.6623 -16.6467 -16.6467 -4.0885 -4.0885 -3.1158 -3.1158 1.4610 1.4610 4.1998 4.1998 4.5359 4.5359 4.9634 4.9634 5.5378 5.5378 5.7215 5.7215 7.1890 7.1890 7.4950 7.4950 7.9016 7.9016 8.1270 8.1270 k = 0.0641 0.0370-0.0000 ( 7397 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1004 -37.1004 -37.0998 -37.0998 -35.7787 -35.7787 -17.0333 -17.0333 -16.6623 -16.6623 -16.6469 -16.6469 -4.0792 -4.0792 -3.1113 -3.1113 1.4733 1.4733 4.1531 4.1531 4.5045 4.5045 4.9102 4.9102 5.4732 5.4732 5.6974 5.6974 7.2454 7.2454 7.5440 7.5440 7.9181 7.9181 8.1589 8.1589 k = 0.0769 0.0444-0.0000 ( 7397 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1004 -37.1004 -37.0998 -37.0998 -35.7787 -35.7787 -17.0334 -17.0334 -16.6623 -16.6623 -16.6471 -16.6471 -4.0679 -4.0679 -3.1060 -3.1060 1.4882 1.4882 4.0941 4.0941 4.4725 4.4725 4.8437 4.8437 5.4079 5.4079 5.6695 5.6695 7.3053 7.3053 7.5860 7.5860 7.9388 7.9388 8.1959 8.1959 k = 0.0897 0.0518-0.0000 ( 7389 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0335 -17.0335 -16.6623 -16.6623 -16.6474 -16.6474 -4.0546 -4.0546 -3.0997 -3.0997 1.5057 1.5057 4.0235 4.0235 4.4407 4.4407 4.7650 4.7650 5.3449 5.3449 5.6379 5.6379 7.3629 7.3629 7.6184 7.6184 7.9673 7.9673 8.2370 8.2370 k = 0.1026 0.0592-0.0000 ( 7389 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0337 -17.0337 -16.6624 -16.6624 -16.6477 -16.6477 -4.0393 -4.0393 -3.0926 -3.0926 1.5258 1.5258 3.9430 3.9430 4.4086 4.4086 4.6765 4.6765 5.2856 5.2856 5.6029 5.6029 7.4111 7.4111 7.6416 7.6416 8.0082 8.0082 8.2804 8.2804 k = 0.1154 0.0666-0.0000 ( 7377 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0338 -17.0338 -16.6624 -16.6624 -16.6480 -16.6480 -4.0221 -4.0221 -3.0847 -3.0847 1.5486 1.5486 3.8542 3.8542 4.3743 4.3743 4.5825 4.5825 5.2300 5.2300 5.5648 5.5648 7.4422 7.4422 7.6602 7.6602 8.0644 8.0644 8.3237 8.3237 k = 0.1282 0.0740-0.0000 ( 7377 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0340 -17.0340 -16.6625 -16.6625 -16.6483 -16.6483 -4.0030 -4.0030 -3.0760 -3.0760 1.5738 1.5738 3.7589 3.7589 4.3326 4.3326 4.4901 4.4901 5.1773 5.1773 5.5238 5.5238 7.4504 7.4504 7.6802 7.6802 8.1357 8.1357 8.3636 8.3636 k = 0.1410 0.0814-0.0000 ( 7393 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0342 -17.0342 -16.6626 -16.6626 -16.6487 -16.6487 -3.9821 -3.9821 -3.0667 -3.0667 1.6015 1.6015 3.6587 3.6587 4.2726 4.2726 4.4123 4.4123 5.1268 5.1268 5.4802 5.4802 7.4364 7.4364 7.7040 7.7040 8.2190 8.2190 8.3967 8.3967 k = 0.1538 0.0888-0.0000 ( 7377 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0344 -17.0344 -16.6626 -16.6626 -16.6491 -16.6491 -3.9594 -3.9594 -3.0567 -3.0567 1.6315 1.6315 3.5548 3.5548 4.1869 4.1869 4.3582 4.3582 5.0779 5.0779 5.4344 5.4344 7.4054 7.4054 7.7302 7.7302 8.3097 8.3097 8.4217 8.4217 k = 0.1667 0.0962-0.0000 ( 7375 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0346 -17.0346 -16.6627 -16.6627 -16.6496 -16.6496 -3.9350 -3.9350 -3.0463 -3.0463 1.6639 1.6639 3.4484 3.4484 4.0851 4.0851 4.3196 4.3196 5.0300 5.0300 5.3866 5.3866 7.3633 7.3633 7.7569 7.7569 8.4022 8.4022 8.4407 8.4407 k = 0.1795 0.1036-0.0000 ( 7379 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3885 -37.3885 -37.1044 -37.1044 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7785 -35.7785 -17.0348 -17.0348 -16.6628 -16.6628 -16.6500 -16.6500 -3.9089 -3.9089 -3.0353 -3.0353 1.6985 1.6985 3.3403 3.3403 3.9775 3.9775 4.2873 4.2873 4.9827 4.9827 5.3372 5.3372 7.3141 7.3141 7.7831 7.7831 8.4562 8.4562 8.4917 8.4917 k = 0.1923 0.1110-0.0000 ( 7383 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3885 -37.3885 -37.1044 -37.1044 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7785 -35.7785 -17.0350 -17.0350 -16.6629 -16.6629 -16.6504 -16.6504 -3.8813 -3.8813 -3.0240 -3.0240 1.7351 1.7351 3.2313 3.2313 3.8686 3.8686 4.2578 4.2578 4.9359 4.9359 5.2863 5.2863 7.2606 7.2606 7.8084 7.8084 8.4712 8.4712 8.5717 8.5717 k = 0.2051 0.1184-0.0000 ( 7371 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3885 -37.3885 -37.1044 -37.1044 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7785 -35.7785 -17.0353 -17.0353 -16.6630 -16.6630 -16.6509 -16.6509 -3.8522 -3.8522 -3.0125 -3.0125 1.7737 1.7737 3.1222 3.1222 3.7606 3.7606 4.2297 4.2297 4.8893 4.8893 5.2344 5.2344 7.2045 7.2045 7.8328 7.8328 8.4867 8.4868 8.6368 8.6368 k = 0.2179 0.1258-0.0000 ( 7369 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3886 -37.3886 -37.1044 -37.1044 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7784 -35.7784 -17.0355 -17.0355 -16.6632 -16.6632 -16.6513 -16.6513 -3.8218 -3.8218 -3.0008 -3.0008 1.8141 1.8141 3.0135 3.0135 3.6547 3.6547 4.2024 4.2024 4.8428 4.8428 5.1818 5.1818 7.1474 7.1474 7.8563 7.8563 8.5037 8.5037 8.6824 8.6824 k = 0.2308 0.1332-0.0000 ( 7369 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3916 -37.3916 -37.3886 -37.3886 -37.1045 -37.1045 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7784 -35.7784 -17.0358 -17.0358 -16.6633 -16.6633 -16.6518 -16.6518 -3.7900 -3.7900 -2.9891 -2.9891 1.8560 1.8560 2.9059 2.9059 3.5517 3.5517 4.1758 4.1758 4.7962 4.7962 5.1288 5.1288 7.0900 7.0900 7.8788 7.8788 8.5223 8.5223 8.7160 8.7160 k = 0.2436 0.1406-0.0000 ( 7365 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3916 -37.3916 -37.3887 -37.3887 -37.1045 -37.1045 -37.1037 -37.1037 -37.1006 -37.1006 -37.0998 -37.0998 -35.7784 -35.7784 -17.0360 -17.0360 -16.6635 -16.6635 -16.6522 -16.6522 -3.7570 -3.7570 -2.9775 -2.9775 1.8992 1.8992 2.7999 2.7999 3.4523 3.4523 4.1498 4.1498 4.7494 4.7494 5.0757 5.0757 7.0332 7.0332 7.9003 7.9003 8.5430 8.5430 8.7429 8.7429 k = 0.2564 0.1480-0.0000 ( 7357 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3916 -37.3916 -37.3887 -37.3887 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0998 -37.0998 -35.7783 -35.7783 -17.0363 -17.0363 -16.6637 -16.6637 -16.6526 -16.6526 -3.7230 -3.7230 -2.9661 -2.9661 1.9433 1.9433 2.6962 2.6962 3.3570 3.3570 4.1244 4.1244 4.7022 4.7022 5.0231 5.0231 6.9775 6.9775 7.9208 7.9208 8.5657 8.5657 8.7607 8.7607 k = 0.2692 0.1554-0.0000 ( 7353 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3888 -37.3888 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0997 -37.0997 -35.7783 -35.7783 -17.0365 -17.0365 -16.6638 -16.6638 -16.6530 -16.6530 -3.6881 -3.6881 -2.9550 -2.9550 1.9876 1.9876 2.5954 2.5954 3.2662 3.2662 4.0997 4.0997 4.6544 4.6544 4.9714 4.9714 6.9233 6.9233 7.9401 7.9401 8.5905 8.5905 8.7643 8.7643 k = 0.2821 0.1628-0.0000 ( 7361 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3888 -37.3888 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0997 -37.0997 -35.7783 -35.7783 -17.0368 -17.0368 -16.6640 -16.6640 -16.6534 -16.6534 -3.6524 -3.6524 -2.9445 -2.9445 2.0313 2.0313 2.4985 2.4985 3.1807 3.1807 4.0758 4.0758 4.6056 4.6056 4.9210 4.9210 6.8709 6.8709 7.9583 7.9583 8.6174 8.6174 8.7513 8.7513 k = 0.2949 0.1702-0.0000 ( 7359 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3914 -37.3914 -37.3889 -37.3889 -37.1045 -37.1045 -37.1037 -37.1037 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0371 -17.0371 -16.6643 -16.6643 -16.6537 -16.6537 -3.6161 -3.6161 -2.9347 -2.9347 2.0723 2.0723 2.4071 2.4071 3.1012 3.1012 4.0527 4.0527 4.5556 4.5556 4.8725 4.8725 6.8207 6.8207 7.9753 7.9753 8.6464 8.6464 8.7227 8.7227 k = 0.3077 0.1776-0.0000 ( 7367 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3914 -37.3914 -37.3890 -37.3890 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0373 -17.0373 -16.6645 -16.6645 -16.6541 -16.6541 -3.5793 -3.5793 -2.9256 -2.9256 2.1061 2.1061 2.3256 2.3256 3.0285 3.0285 4.0304 4.0304 4.5042 4.5042 4.8264 4.8264 6.7727 6.7727 7.9910 7.9910 8.6752 8.6752 8.6838 8.6838 k = 0.3205 0.1850-0.0000 ( 7357 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3913 -37.3913 -37.3890 -37.3890 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0375 -17.0375 -16.6647 -16.6647 -16.6544 -16.6544 -3.5422 -3.5422 -2.9175 -2.9175 2.1173 2.1173 2.2683 2.2683 2.9638 2.9638 4.0092 4.0092 4.4512 4.4512 4.7830 4.7830 6.7273 6.7273 8.0055 8.0055 8.6317 8.6317 8.7107 8.7107 k = 0.3333 0.1925-0.0000 ( 7356 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3913 -37.3913 -37.3891 -37.3891 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7781 -35.7781 -17.0378 -17.0378 -16.6649 -16.6649 -16.6547 -16.6547 -3.5051 -3.5051 -2.9105 -2.9105 2.0826 2.0826 2.2571 2.2571 2.9089 2.9089 3.9890 3.9890 4.3965 4.3965 4.7427 4.7427 6.6845 6.6845 8.0186 8.0186 8.5773 8.5773 8.7455 8.7455 k = 0.3462 0.1999-0.0000 ( 7350 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3912 -37.3912 -37.3891 -37.3891 -37.1046 -37.1046 -37.1036 -37.1036 -37.1009 -37.1009 -37.0997 -37.0997 -35.7781 -35.7781 -17.0380 -17.0380 -16.6652 -16.6652 -16.6549 -16.6549 -3.4681 -3.4681 -2.9047 -2.9047 2.0198 2.0198 2.2727 2.2727 2.8659 2.8659 3.9699 3.9699 4.3404 4.3404 4.7056 4.7056 6.6445 6.6445 8.0303 8.0303 8.5210 8.5210 8.7820 8.7820 k = 0.3590 0.2073-0.0000 ( 7360 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3912 -37.3912 -37.3892 -37.3892 -37.1046 -37.1046 -37.1036 -37.1036 -37.1009 -37.1009 -37.0997 -37.0997 -35.7781 -35.7781 -17.0382 -17.0382 -16.6654 -16.6654 -16.6552 -16.6552 -3.4315 -3.4315 -2.9002 -2.9002 1.9519 1.9519 2.2897 2.2897 2.8370 2.8370 3.9520 3.9520 4.2830 4.2830 4.6718 4.6718 6.6073 6.6073 8.0406 8.0406 8.4654 8.4654 8.8203 8.8203 k = 0.3718 0.2147-0.0000 ( 7348 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3911 -37.3911 -37.3892 -37.3892 -37.1046 -37.1046 -37.1035 -37.1035 -37.1009 -37.1009 -37.0997 -37.0997 -35.7780 -35.7780 -17.0384 -17.0384 -16.6656 -16.6656 -16.6554 -16.6554 -3.3956 -3.3956 -2.8972 -2.8972 1.8859 1.8859 2.2995 2.2995 2.8243 2.8243 3.9352 3.9352 4.2246 4.2246 4.6413 4.6413 6.5731 6.5731 8.0491 8.0491 8.4123 8.4123 8.8602 8.8602 k = 0.3846 0.2221-0.0000 ( 7346 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3911 -37.3911 -37.3893 -37.3893 -37.1046 -37.1046 -37.1035 -37.1035 -37.1009 -37.1009 -37.0997 -37.0997 -35.7780 -35.7780 -17.0386 -17.0386 -16.6659 -16.6659 -16.6555 -16.6555 -3.3605 -3.3605 -2.8957 -2.8957 1.8240 1.8240 2.2996 2.2996 2.8279 2.8279 3.9195 3.9195 4.1660 4.1660 4.6141 4.6141 6.5419 6.5419 8.0558 8.0558 8.3631 8.3631 8.9016 8.9016 k = 0.3974 0.2295-0.0000 ( 7334 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3893 -37.3893 -37.1046 -37.1046 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7780 -35.7780 -17.0388 -17.0388 -16.6661 -16.6661 -16.6557 -16.6557 -3.3267 -3.3267 -2.8957 -2.8957 1.7673 1.7673 2.2911 2.2911 2.8457 2.8457 3.9050 3.9050 4.1078 4.1078 4.5900 4.5900 6.5138 6.5138 8.0603 8.0603 8.3192 8.3192 8.9444 8.9444 k = 0.4103 0.2369-0.0000 ( 7340 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3894 -37.3894 -37.1047 -37.1047 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7780 -35.7780 -17.0389 -17.0389 -16.6663 -16.6663 -16.6558 -16.6558 -3.2946 -3.2946 -2.8971 -2.8971 1.7164 1.7164 2.2766 2.2766 2.8742 2.8742 3.8911 3.8911 4.0510 4.0510 4.5689 4.5689 6.4888 6.4888 8.0623 8.0623 8.2814 8.2814 8.9884 8.9884 k = 0.4231 0.2443-0.0000 ( 7342 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3894 -37.3894 -37.1047 -37.1047 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7779 -35.7779 -17.0390 -17.0390 -16.6665 -16.6665 -16.6559 -16.6559 -3.2645 -3.2645 -2.8999 -2.8999 1.6716 1.6716 2.2592 2.2592 2.9096 2.9096 3.8775 3.8775 3.9973 3.9973 4.5509 4.5509 6.4671 6.4671 8.0613 8.0613 8.2506 8.2506 9.0335 9.0335 k = 0.4359 0.2517-0.0000 ( 7354 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7779 -35.7779 -17.0392 -17.0392 -16.6666 -16.6666 -16.6560 -16.6560 -3.2370 -3.2370 -2.9038 -2.9038 1.6332 1.6332 2.2413 2.2413 2.9483 2.9483 3.8622 3.8622 3.9496 3.9496 4.5357 4.5357 6.4486 6.4486 8.0575 8.0575 8.2271 8.2271 9.0793 9.0793 k = 0.4487 0.2591-0.0000 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1035 -37.1035 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0393 -17.0393 -16.6667 -16.6667 -16.6561 -16.6561 -3.2126 -3.2126 -2.9084 -2.9084 1.6015 1.6015 2.2249 2.2249 2.9869 2.9869 3.8419 3.8419 3.9130 3.9130 4.5234 4.5234 6.4333 6.4333 8.0514 8.0514 8.2106 8.2106 9.1256 9.1256 k = 0.4615 0.2665-0.0000 ( 7352 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0393 -17.0393 -16.6668 -16.6668 -16.6562 -16.6562 -3.1923 -3.1923 -2.9132 -2.9132 1.5766 1.5766 2.2110 2.2110 3.0223 3.0223 3.8152 3.8152 3.8911 3.8911 4.5139 4.5139 6.4215 6.4215 8.0445 8.0445 8.1998 8.1998 9.1716 9.1716 k = 0.4744 0.2739-0.0000 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6669 -16.6669 -16.6562 -16.6562 -3.1768 -3.1768 -2.9175 -2.9175 1.5588 1.5588 2.2006 2.2006 3.0512 3.0512 3.7886 3.7886 3.8797 3.8797 4.5071 4.5071 6.4130 6.4130 8.0381 8.0381 8.1934 8.1934 9.2156 9.2156 k = 0.4872 0.2813-0.0000 ( 7352 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0996 -37.0996 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1670 -3.1670 -2.9205 -2.9205 1.5480 1.5480 2.1942 2.1942 3.0703 3.0703 3.7697 3.7697 3.8743 3.8743 4.5030 4.5030 6.4079 6.4079 8.0338 8.0338 8.1901 8.1901 9.2528 9.2528 k = 0.5000 0.2887-0.0000 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1636 -3.1636 -2.9216 -2.9216 1.5444 1.5444 2.1920 2.1920 3.0770 3.0770 3.7629 3.7629 3.8726 3.8726 4.5017 4.5017 6.4062 6.4062 8.0323 8.0323 8.1891 8.1891 9.2696 9.2696 k = 0.5000 0.2887-0.0000 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1636 -3.1636 -2.9216 -2.9216 1.5444 1.5444 2.1920 2.1920 3.0770 3.0770 3.7629 3.7629 3.8726 3.8726 4.5017 4.5017 6.4062 6.4062 8.0323 8.0323 8.1891 8.1891 9.2696 9.2740 k = 0.4928 0.3012-0.0000 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1631 -3.1631 -2.9214 -2.9214 1.5457 1.5457 2.1922 2.1922 3.0777 3.0777 3.7613 3.7613 3.8653 3.8653 4.4974 4.4974 6.4178 6.4178 8.0305 8.0305 8.1935 8.1935 9.2699 9.2728 k = 0.4855 0.3138-0.0000 ( 7350 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0996 -37.0996 -35.7779 -35.7779 -17.0394 -17.0394 -16.6669 -16.6669 -16.6563 -16.6563 -3.1615 -3.1615 -2.9209 -2.9209 1.5495 1.5495 2.1928 2.1928 3.0800 3.0800 3.7551 3.7551 3.8452 3.8452 4.4847 4.4847 6.4521 6.4521 8.0252 8.0252 8.2067 8.2067 9.2404 9.2404 k = 0.4783 0.3263-0.0000 ( 7358 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0395 -17.0395 -16.6669 -16.6669 -16.6564 -16.6564 -3.1589 -3.1589 -2.9200 -2.9200 1.5559 1.5559 2.1937 2.1937 3.0836 3.0836 3.7382 3.7382 3.8198 3.8198 4.4640 4.4640 6.5074 6.5074 8.0162 8.0162 8.2277 8.2277 9.1765 9.1765 k = 0.4710 0.3389-0.0000 ( 7358 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0996 -37.0996 -35.7779 -35.7779 -17.0395 -17.0395 -16.6668 -16.6668 -16.6565 -16.6565 -3.1552 -3.1552 -2.9189 -2.9189 1.5648 1.5648 2.1949 2.1949 3.0886 3.0886 3.7009 3.7009 3.8013 3.8013 4.4360 4.4360 6.5816 6.5816 8.0031 8.0031 8.2553 8.2553 9.1075 9.1076 k = 0.4638 0.3514-0.0000 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1048 -37.1048 -37.1034 -37.1034 -37.1012 -37.1012 -37.0996 -37.0996 -35.7779 -35.7779 -17.0395 -17.0395 -16.6667 -16.6667 -16.6567 -16.6567 -3.1505 -3.1505 -2.9175 -2.9175 1.5763 1.5763 2.1963 2.1963 3.0945 3.0945 3.6436 3.6436 3.7919 3.7919 4.4015 4.4015 6.6717 6.6717 7.9858 7.9858 8.2879 8.2879 9.0385 9.0385 k = 0.4565 0.3640-0.0000 ( 7352 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1048 -37.1048 -37.1033 -37.1033 -37.1012 -37.1012 -37.0996 -37.0996 -35.7779 -35.7779 -17.0395 -17.0395 -16.6666 -16.6666 -16.6568 -16.6568 -3.1448 -3.1448 -2.9159 -2.9159 1.5903 1.5903 2.1979 2.1979 3.1010 3.1010 3.5740 3.5740 3.7866 3.7866 4.3616 4.3616 6.7752 6.7752 7.9636 7.9636 8.3237 8.3237 8.9726 8.9726 k = 0.4493 0.3765-0.0000 ( 7360 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1048 -37.1048 -37.1033 -37.1033 -37.1012 -37.1012 -37.0996 -37.0996 -35.7779 -35.7779 -17.0396 -17.0396 -16.6665 -16.6665 -16.6571 -16.6571 -3.1382 -3.1382 -2.9141 -2.9141 1.6067 1.6067 2.1996 2.1996 3.1070 3.1070 3.4982 3.4982 3.7824 3.7824 4.3174 4.3174 6.8892 6.8892 7.9366 7.9366 8.3607 8.3607 8.9119 8.9119 k = 0.4420 0.3891-0.0000 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3897 -37.3897 -37.1048 -37.1048 -37.1032 -37.1032 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0396 -17.0396 -16.6664 -16.6664 -16.6573 -16.6573 -3.1307 -3.1307 -2.9123 -2.9123 1.6256 1.6256 2.2012 2.2012 3.1105 3.1105 3.4213 3.4213 3.7782 3.7782 4.2700 4.2700 7.0110 7.0110 7.9048 7.9048 8.3972 8.3972 8.8581 8.8581 k = 0.4348 0.4016-0.0000 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3897 -37.3897 -37.1048 -37.1048 -37.1032 -37.1032 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0396 -17.0396 -16.6663 -16.6663 -16.6576 -16.6576 -3.1223 -3.1223 -2.9105 -2.9105 1.6470 1.6470 2.2028 2.2028 3.1064 3.1064 3.3505 3.3505 3.7732 3.7732 4.2208 4.2208 7.1380 7.1380 7.8692 7.8692 8.4318 8.4318 8.8120 8.8120 k = 0.4275 0.4142-0.0000 ( 7366 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3897 -37.3897 -37.1049 -37.1049 -37.1031 -37.1031 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0397 -17.0397 -16.6661 -16.6661 -16.6578 -16.6578 -3.1131 -3.1131 -2.9088 -2.9088 1.6707 1.6707 2.2040 2.2040 3.0848 3.0848 3.2973 3.2973 3.7668 3.7668 4.1708 4.1708 7.2667 7.2667 7.8319 7.8319 8.4633 8.4633 8.7739 8.7739 k = 0.4203 0.4267-0.0000 ( 7366 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3897 -37.3897 -37.1049 -37.1049 -37.1031 -37.1031 -37.1014 -37.1014 -37.0996 -37.0996 -35.7779 -35.7779 -17.0397 -17.0397 -16.6659 -16.6659 -16.6581 -16.6581 -3.1031 -3.1031 -2.9074 -2.9074 1.6967 1.6967 2.2048 2.2048 3.0368 3.0368 3.2721 3.2721 3.7586 3.7586 4.1213 4.1213 7.3913 7.3913 7.7980 7.7980 8.4911 8.4911 8.7435 8.7435 k = 0.4130 0.4393-0.0000 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3898 -37.3898 -37.1049 -37.1049 -37.1030 -37.1030 -37.1014 -37.1014 -37.0996 -37.0996 -35.7778 -35.7778 -17.0398 -17.0398 -16.6657 -16.6657 -16.6585 -16.6585 -3.0924 -3.0924 -2.9062 -2.9062 1.7250 1.7250 2.2051 2.2051 2.9682 2.9682 3.2700 3.2700 3.7482 3.7482 4.0733 4.0733 7.4975 7.4975 7.7814 7.7814 8.5152 8.5152 8.7202 8.7202 k = 0.4058 0.4518-0.0000 ( 7368 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3898 -37.3898 -37.1049 -37.1049 -37.1030 -37.1030 -37.1015 -37.1015 -37.0996 -37.0996 -35.7778 -35.7778 -17.0398 -17.0398 -16.6655 -16.6655 -16.6588 -16.6588 -3.0811 -3.0811 -2.9056 -2.9056 1.7555 1.7555 2.2047 2.2047 2.8904 2.8904 3.2805 3.2805 3.7354 3.7354 4.0277 4.0277 7.5522 7.5522 7.8153 7.8153 8.5356 8.5356 8.7029 8.7029 k = 0.3986 0.4644-0.0000 ( 7374 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3906 -37.3906 -37.3898 -37.3898 -37.1049 -37.1049 -37.1029 -37.1029 -37.1015 -37.1015 -37.0996 -37.0996 -35.7778 -35.7778 -17.0399 -17.0399 -16.6653 -16.6653 -16.6591 -16.6591 -3.0693 -3.0693 -2.9055 -2.9055 1.7880 1.7880 2.2035 2.2035 2.8100 2.8100 3.2977 3.2977 3.7201 3.7201 3.9853 3.9853 7.5469 7.5469 7.9081 7.9081 8.5528 8.5529 8.6909 8.6909 k = 0.3913 0.4769-0.0000 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3906 -37.3906 -37.3899 -37.3899 -37.1049 -37.1049 -37.1029 -37.1029 -37.1016 -37.1016 -37.0995 -37.0995 -35.7778 -35.7778 -17.0399 -17.0399 -16.6651 -16.6651 -16.6595 -16.6595 -3.0570 -3.0570 -2.9061 -2.9061 1.8225 1.8225 2.2014 2.2014 2.7302 2.7302 3.3189 3.3189 3.7024 3.7024 3.9463 3.9463 7.5159 7.5159 8.0255 8.0255 8.5676 8.5676 8.6830 8.6830 k = 0.3841 0.4895-0.0000 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3899 -37.3899 -37.1049 -37.1049 -37.1028 -37.1028 -37.1016 -37.1016 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6649 -16.6649 -16.6598 -16.6598 -3.0444 -3.0444 -2.9076 -2.9076 1.8586 1.8586 2.1984 2.1984 2.6529 2.6529 3.3429 3.3429 3.6830 3.6830 3.9106 3.9106 7.4784 7.4784 8.1480 8.1480 8.5805 8.5805 8.6783 8.6783 k = 0.3768 0.5020-0.0000 ( 7359 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3899 -37.3899 -37.1050 -37.1050 -37.1028 -37.1028 -37.1017 -37.1017 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6647 -16.6647 -16.6601 -16.6601 -3.0314 -3.0314 -2.9101 -2.9101 1.8960 1.8960 2.1947 2.1947 2.5792 2.5792 3.3689 3.3689 3.6628 3.6628 3.8780 3.8780 7.4413 7.4413 8.2686 8.2686 8.5923 8.5923 8.6760 8.6760 k = 0.3696 0.5146-0.0000 ( 7365 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3900 -37.3900 -37.1050 -37.1050 -37.1027 -37.1027 -37.1017 -37.1017 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6644 -16.6644 -16.6605 -16.6605 -3.0183 -3.0183 -2.9138 -2.9138 1.9342 1.9342 2.1906 2.1906 2.5100 2.5100 3.3962 3.3962 3.6428 3.6428 3.8479 3.8479 7.4073 7.4073 8.3837 8.3837 8.6044 8.6044 8.6753 8.6753 k = 0.3623 0.5271-0.0000 ( 7361 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3900 -37.3900 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6642 -16.6642 -16.6608 -16.6608 -3.0051 -3.0051 -2.9187 -2.9187 1.9721 1.9721 2.1871 2.1871 2.4460 2.4460 3.4241 3.4241 3.6241 3.6241 3.8200 3.8200 7.3780 7.3780 8.4887 8.4887 8.6194 8.6194 8.6760 8.6760 k = 0.3551 0.5397-0.0000 ( 7371 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3901 -37.3901 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6640 -16.6640 -16.6610 -16.6610 -2.9919 -2.9919 -2.9250 -2.9250 2.0075 2.0075 2.1858 2.1858 2.3879 2.3879 3.4514 3.4514 3.6075 3.6075 3.7946 3.7946 7.3544 7.3544 8.5693 8.5693 8.6472 8.6472 8.6809 8.6809 k = 0.3478 0.5522-0.0000 ( 7361 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3901 -37.3901 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6639 -16.6639 -16.6612 -16.6612 -2.9789 -2.9789 -2.9329 -2.9329 2.0368 2.0368 2.1900 2.1900 2.3368 2.3368 3.4765 3.4765 3.5937 3.5937 3.7729 3.7729 7.3371 7.3371 8.6047 8.6047 8.6672 8.6672 8.7294 8.7294 k = 0.3406 0.5648-0.0000 ( 7375 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6638 -16.6638 -16.6614 -16.6614 -2.9661 -2.9661 -2.9424 -2.9424 2.0550 2.0550 2.2026 2.2026 2.2951 2.2951 3.4959 3.4959 3.5837 3.5837 3.7573 3.7573 7.3266 7.3266 8.6186 8.6186 8.6675 8.6675 8.8056 8.8056 k = 0.3333 0.5774-0.0000 ( 7395 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9538 -2.9538 -2.9536 -2.9536 2.0604 2.0604 2.2141 2.2141 2.2745 2.2745 3.5038 3.5038 3.5797 3.5797 3.7513 3.7513 7.3230 7.3230 8.6236 8.6236 8.6663 8.6663 8.8507 8.8507 k = 0.3333 0.5774-0.0000 ( 7395 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9538 -2.9538 -2.9536 -2.9536 2.0604 2.0604 2.2141 2.2141 2.2745 2.2745 3.5038 3.5038 3.5797 3.5797 3.7513 3.7513 7.3230 7.3230 8.6236 8.6236 8.6663 8.6663 8.8507 8.8507 k = 0.3259 0.5645-0.0000 ( 7383 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6638 -16.6638 -16.6614 -16.6614 -2.9672 -2.9672 -2.9415 -2.9415 2.0565 2.0565 2.2001 2.2001 2.2964 2.2964 3.4951 3.4951 3.5837 3.5837 3.7582 3.7582 7.3267 7.3267 8.6167 8.6167 8.6689 8.6689 8.8269 8.8269 k = 0.3185 0.5517-0.0000 ( 7371 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3901 -37.3901 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6639 -16.6639 -16.6612 -16.6612 -2.9826 -2.9826 -2.9300 -2.9300 2.0479 2.0479 2.1780 2.1780 2.3394 2.3394 3.4723 3.4723 3.5932 3.5932 3.7782 3.7782 7.3378 7.3378 8.5960 8.5960 8.6753 8.6753 8.7936 8.7936 k = 0.3111 0.5389-0.0000 ( 7369 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3901 -37.3901 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6640 -16.6640 -16.6610 -16.6610 -3.0000 -3.0000 -2.9191 -2.9191 2.0382 2.0382 2.1589 2.1589 2.3890 2.3890 3.4405 3.4405 3.6060 3.6060 3.8086 3.8086 7.3561 7.3561 8.5637 8.5637 8.6792 8.6792 8.7645 8.7645 k = 0.3037 0.5260-0.0000 ( 7369 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3900 -37.3900 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6642 -16.6642 -16.6608 -16.6608 -3.0195 -3.0195 -2.9091 -2.9091 2.0300 2.0300 2.1442 2.1442 2.4413 2.4413 3.4031 3.4031 3.6221 3.6221 3.8464 3.8464 7.3814 7.3814 8.5228 8.5228 8.6685 8.6685 8.7509 8.7509 k = 0.2963 0.5132-0.0000 ( 7369 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3900 -37.3900 -37.1050 -37.1050 -37.1028 -37.1028 -37.1017 -37.1017 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6643 -16.6643 -16.6605 -16.6605 -3.0410 -3.0410 -2.9001 -2.9001 2.0249 2.0249 2.1339 2.1339 2.4947 2.4947 3.3628 3.3628 3.6416 3.6416 3.8892 3.8892 7.4131 7.4131 8.4763 8.4763 8.6396 8.6396 8.7556 8.7556 k = 0.2889 0.5004-0.0000 ( 7367 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3906 -37.3906 -37.3899 -37.3899 -37.1050 -37.1050 -37.1028 -37.1028 -37.1017 -37.1017 -37.0995 -37.0995 -35.7778 -35.7778 -17.0399 -17.0399 -16.6644 -16.6644 -16.6602 -16.6602 -3.0646 -3.0646 -2.8921 -2.8921 2.0238 2.0238 2.1278 2.1278 2.5477 2.5477 3.3216 3.3216 3.6645 3.6645 3.9357 3.9357 7.4509 7.4509 8.4266 8.4266 8.6023 8.6023 8.7611 8.7611 k = 0.2815 0.4875-0.0000 ( 7361 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3906 -37.3906 -37.3898 -37.3898 -37.1050 -37.1050 -37.1028 -37.1028 -37.1016 -37.1016 -37.0995 -37.0995 -35.7778 -35.7778 -17.0398 -17.0398 -16.6646 -16.6646 -16.6599 -16.6599 -3.0900 -3.0900 -2.8852 -2.8852 2.0275 2.0275 2.1260 2.1260 2.5987 2.5987 3.2819 3.2819 3.6909 3.6909 3.9851 3.9851 7.4939 7.4939 8.3760 8.3760 8.5619 8.5619 8.7531 8.7531 k = 0.2741 0.4747-0.0000 ( 7369 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3898 -37.3898 -37.1050 -37.1050 -37.1029 -37.1029 -37.1016 -37.1016 -37.0995 -37.0995 -35.7778 -35.7778 -17.0398 -17.0398 -16.6647 -16.6647 -16.6596 -16.6596 -3.1174 -3.1174 -2.8795 -2.8795 2.0360 2.0360 2.1287 2.1287 2.6453 2.6453 3.2464 3.2464 3.7205 3.7205 4.0368 4.0368 7.5412 7.5412 8.3263 8.3263 8.5203 8.5203 8.7401 8.7401 k = 0.2667 0.4619-0.0000 ( 7361 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3897 -37.3897 -37.1049 -37.1049 -37.1030 -37.1030 -37.1015 -37.1015 -37.0996 -37.0996 -35.7779 -35.7779 -17.0396 -17.0396 -16.6647 -16.6647 -16.6593 -16.6593 -3.1465 -3.1465 -2.8751 -2.8751 2.0493 2.0493 2.1360 2.1360 2.6845 2.6845 3.2188 3.2188 3.7533 3.7533 4.0904 4.0904 7.5914 7.5914 8.2794 8.2794 8.4783 8.4783 8.7250 8.7250 k = 0.2593 0.4491-0.0000 ( 7377 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3897 -37.3897 -37.1049 -37.1049 -37.1030 -37.1030 -37.1015 -37.1015 -37.0996 -37.0996 -35.7779 -35.7779 -17.0395 -17.0395 -16.6648 -16.6648 -16.6589 -16.6589 -3.1773 -3.1773 -2.8719 -2.8719 2.0669 2.0669 2.1484 2.1484 2.7124 2.7124 3.2036 3.2036 3.7889 3.7889 4.1456 4.1456 7.6424 7.6424 8.2376 8.2376 8.4361 8.4361 8.7080 8.7080 k = 0.2519 0.4362-0.0000 ( 7363 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1049 -37.1049 -37.1031 -37.1031 -37.1014 -37.1014 -37.0996 -37.0996 -35.7779 -35.7779 -17.0394 -17.0394 -16.6648 -16.6648 -16.6586 -16.6586 -3.2095 -3.2095 -2.8701 -2.8701 2.0882 2.0882 2.1661 2.1661 2.7258 2.7258 3.2046 3.2046 3.8271 3.8271 4.2022 4.2022 7.6909 7.6909 8.2042 8.2042 8.3941 8.3941 8.6892 8.6892 k = 0.2444 0.4234-0.0000 ( 7367 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1049 -37.1049 -37.1031 -37.1031 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0392 -17.0392 -16.6648 -16.6648 -16.6582 -16.6582 -3.2431 -3.2431 -2.8696 -2.8696 2.1122 2.1122 2.1895 2.1895 2.7241 2.7241 3.2234 3.2234 3.8679 3.8679 4.2601 4.2601 7.7321 7.7321 8.1837 8.1837 8.3528 8.3528 8.6683 8.6683 k = 0.2370 0.4106-0.0000 ( 7365 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3895 -37.3895 -37.1048 -37.1048 -37.1032 -37.1032 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0391 -17.0391 -16.6648 -16.6648 -16.6579 -16.6579 -3.2779 -3.2779 -2.8705 -2.8705 2.1377 2.1377 2.2185 2.2185 2.7109 2.7109 3.2579 3.2579 3.9110 3.9110 4.3190 4.3190 7.7601 7.7601 8.1813 8.1813 8.3127 8.3127 8.6455 8.6455 k = 0.2296 0.3977-0.0000 ( 7365 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3894 -37.3894 -37.1048 -37.1048 -37.1032 -37.1032 -37.1012 -37.1012 -37.0996 -37.0996 -35.7780 -35.7780 -17.0389 -17.0389 -16.6648 -16.6648 -16.6575 -16.6575 -3.3137 -3.3137 -2.8727 -2.8727 2.1635 2.1635 2.2521 2.2521 2.6921 2.6921 3.3040 3.3040 3.9563 3.9563 4.3788 4.3788 7.7710 7.7710 8.1979 8.1979 8.2767 8.2767 8.6207 8.6207 k = 0.2222 0.3849-0.0000 ( 7355 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3911 -37.3911 -37.3893 -37.3893 -37.1048 -37.1048 -37.1033 -37.1033 -37.1012 -37.1012 -37.0996 -37.0996 -35.7780 -35.7780 -17.0387 -17.0387 -16.6647 -16.6647 -16.6571 -16.6571 -3.3503 -3.3503 -2.8761 -2.8761 2.1875 2.1875 2.2893 2.2893 2.6749 2.6749 3.3581 3.3581 4.0035 4.0035 4.4394 4.4394 7.7659 7.7659 8.2093 8.2093 8.2671 8.2671 8.5942 8.5942 k = 0.2148 0.3721-0.0000 ( 7359 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3911 -37.3911 -37.3893 -37.3893 -37.1048 -37.1048 -37.1033 -37.1033 -37.1011 -37.1011 -37.0996 -37.0996 -35.7780 -35.7780 -17.0385 -17.0385 -16.6646 -16.6646 -16.6567 -16.6567 -3.3875 -3.3875 -2.8808 -2.8808 2.2062 2.2062 2.3287 2.3287 2.6667 2.6667 3.4173 3.4173 4.0526 4.0526 4.5005 4.5005 7.7497 7.7497 8.1821 8.1821 8.3114 8.3114 8.5661 8.5661 k = 0.2074 0.3592-0.0000 ( 7367 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3912 -37.3912 -37.3892 -37.3892 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0996 -37.0996 -35.7780 -35.7780 -17.0383 -17.0383 -16.6645 -16.6645 -16.6563 -16.6563 -3.4252 -3.4252 -2.8866 -2.8866 2.2145 2.2145 2.3703 2.3703 2.6743 2.6743 3.4797 3.4797 4.1033 4.1033 4.5620 4.5620 7.7278 7.7278 8.1469 8.1469 8.3716 8.3716 8.5371 8.5371 k = 0.2000 0.3464-0.0000 ( 7363 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3912 -37.3912 -37.3892 -37.3892 -37.1047 -37.1047 -37.1034 -37.1034 -37.1010 -37.1010 -37.0997 -37.0997 -35.7781 -35.7781 -17.0381 -17.0381 -16.6644 -16.6644 -16.6559 -16.6559 -3.4631 -3.4631 -2.8936 -2.8936 2.2088 2.2088 2.4152 2.4152 2.7014 2.7014 3.5438 3.5438 4.1557 4.1557 4.6237 4.6237 7.7037 7.7037 8.1116 8.1116 8.4317 8.4317 8.5097 8.5097 k = 0.1926 0.3336-0.0000 ( 7355 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3913 -37.3913 -37.3891 -37.3891 -37.1047 -37.1047 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7781 -35.7781 -17.0378 -17.0378 -16.6643 -16.6643 -16.6555 -16.6555 -3.5011 -3.5011 -2.9015 -2.9015 2.1891 2.1891 2.4649 2.4649 2.7470 2.7470 3.6088 3.6088 4.2094 4.2094 4.6855 4.6855 7.6798 7.6798 8.0772 8.0772 8.4568 8.4568 8.5120 8.5120 k = 0.1852 0.3208-0.0000 ( 7357 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3913 -37.3913 -37.3890 -37.3890 -37.1047 -37.1047 -37.1035 -37.1035 -37.1009 -37.1009 -37.0997 -37.0997 -35.7781 -35.7781 -17.0376 -17.0376 -16.6642 -16.6642 -16.6551 -16.6551 -3.5391 -3.5391 -2.9103 -2.9103 2.1585 2.1585 2.5198 2.5198 2.8078 2.8078 3.6739 3.6739 4.2644 4.2644 4.7471 4.7471 7.6576 7.6576 8.0444 8.0444 8.4308 8.4308 8.5547 8.5547 k = 0.1778 0.3079-0.0000 ( 7357 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3914 -37.3914 -37.3890 -37.3890 -37.1046 -37.1046 -37.1035 -37.1035 -37.1009 -37.1009 -37.0997 -37.0997 -35.7782 -35.7782 -17.0373 -17.0373 -16.6640 -16.6640 -16.6547 -16.6547 -3.5768 -3.5768 -2.9199 -2.9199 2.1209 2.1209 2.5801 2.5801 2.8802 2.8802 3.7386 3.7386 4.3205 4.3205 4.8084 4.8084 7.6381 7.6381 8.0131 8.0131 8.3975 8.3975 8.5894 8.5894 k = 0.1704 0.2951-0.0000 ( 7361 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3914 -37.3914 -37.3889 -37.3889 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0371 -17.0371 -16.6639 -16.6639 -16.6542 -16.6542 -3.6141 -3.6141 -2.9302 -2.9302 2.0790 2.0790 2.6453 2.6453 2.9614 2.9614 3.8023 3.8023 4.3777 4.3777 4.8692 4.8692 7.6218 7.6218 7.9835 7.9835 8.3625 8.3625 8.6090 8.6090 k = 0.1630 0.2823-0.0000 ( 7353 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3888 -37.3888 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0368 -17.0368 -16.6638 -16.6638 -16.6538 -16.6538 -3.6508 -3.6508 -2.9410 -2.9410 2.0349 2.0349 2.7152 2.7152 3.0498 3.0498 3.8646 3.8646 4.4357 4.4357 4.9294 4.9294 7.6091 7.6091 7.9557 7.9557 8.3268 8.3268 8.6144 8.6144 k = 0.1556 0.2694-0.0000 ( 7351 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3888 -37.3888 -37.1045 -37.1045 -37.1036 -37.1036 -37.1007 -37.1007 -37.0997 -37.0997 -35.7783 -35.7783 -17.0366 -17.0366 -16.6636 -16.6636 -16.6533 -16.6533 -3.6868 -3.6868 -2.9524 -2.9524 1.9899 1.9899 2.7895 2.7895 3.1440 3.1440 3.9253 3.9253 4.4945 4.4945 4.9886 4.9886 7.6003 7.6003 7.9296 7.9296 8.2907 8.2908 8.6090 8.6090 k = 0.1481 0.2566-0.0000 ( 7361 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3887 -37.3887 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0998 -37.0998 -35.7783 -35.7783 -17.0363 -17.0363 -16.6635 -16.6635 -16.6528 -16.6528 -3.7220 -3.7220 -2.9640 -2.9640 1.9449 1.9449 2.8677 2.8677 3.2432 3.2432 3.9841 3.9841 4.5538 4.5538 5.0467 5.0467 7.5955 7.5955 7.9051 7.9051 8.2547 8.2547 8.5964 8.5964 k = 0.1407 0.2438-0.0000 ( 7349 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3916 -37.3916 -37.3887 -37.3887 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0998 -37.0998 -35.7784 -35.7784 -17.0360 -17.0360 -16.6634 -16.6634 -16.6524 -16.6524 -3.7562 -3.7562 -2.9759 -2.9759 1.9004 1.9004 2.9496 2.9496 3.3466 3.3466 4.0407 4.0407 4.6135 4.6135 5.1036 5.1036 7.5945 7.5945 7.8817 7.8817 8.2190 8.2190 8.5799 8.5799 k = 0.1333 0.2309-0.0000 ( 7347 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3916 -37.3916 -37.3886 -37.3886 -37.1045 -37.1045 -37.1037 -37.1037 -37.1006 -37.1006 -37.0998 -37.0998 -35.7784 -35.7784 -17.0358 -17.0358 -16.6632 -16.6632 -16.6519 -16.6519 -3.7893 -3.7893 -2.9879 -2.9879 1.8570 1.8570 3.0349 3.0349 3.4536 3.4536 4.0951 4.0951 4.6736 4.6736 5.1590 5.1590 7.5971 7.5971 7.8592 7.8592 8.1840 8.1840 8.5616 8.5616 k = 0.1259 0.2181-0.0000 ( 7347 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3916 -37.3916 -37.3886 -37.3886 -37.1044 -37.1044 -37.1037 -37.1037 -37.1006 -37.1006 -37.0998 -37.0998 -35.7784 -35.7784 -17.0355 -17.0355 -16.6631 -16.6631 -16.6514 -16.6514 -3.8212 -3.8212 -2.9999 -2.9999 1.8148 1.8148 3.1231 3.1231 3.5633 3.5633 4.1472 4.1472 4.7337 4.7337 5.2129 5.2129 7.6030 7.6030 7.8368 7.8368 8.1500 8.1500 8.5432 8.5432 k = 0.1185 0.2053-0.0000 ( 7347 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3885 -37.3885 -37.1044 -37.1044 -37.1037 -37.1037 -37.1006 -37.1006 -37.0998 -37.0998 -35.7785 -35.7785 -17.0353 -17.0353 -16.6630 -16.6630 -16.6509 -16.6509 -3.8518 -3.8518 -3.0119 -3.0119 1.7743 1.7743 3.2137 3.2137 3.6751 3.6751 4.1972 4.1972 4.7939 4.7939 5.2650 5.2650 7.6115 7.6115 7.8136 7.8136 8.1172 8.1172 8.5259 8.5259 k = 0.1111 0.1925-0.0000 ( 7351 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3885 -37.3885 -37.1044 -37.1044 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7785 -35.7785 -17.0350 -17.0350 -16.6629 -16.6629 -16.6505 -16.6505 -3.8809 -3.8809 -3.0236 -3.0236 1.7356 1.7356 3.3065 3.3065 3.7878 3.7878 4.2456 4.2456 4.8539 4.8539 5.3153 5.3153 7.6218 7.6218 7.7884 7.7884 8.0862 8.0862 8.5105 8.5106 k = 0.1037 0.1796-0.0000 ( 7363 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7785 -35.7785 -17.0348 -17.0348 -16.6628 -16.6628 -16.6500 -16.6500 -3.9086 -3.9086 -3.0350 -3.0350 1.6989 1.6989 3.4007 3.4007 3.9002 3.9002 4.2931 4.2931 4.9137 4.9137 5.3636 5.3636 7.6328 7.6328 7.7599 7.7599 8.0573 8.0573 8.4979 8.4979 k = 0.0963 0.1668-0.0000 ( 7369 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0346 -17.0346 -16.6627 -16.6627 -16.6496 -16.6496 -3.9347 -3.9347 -3.0460 -3.0460 1.6642 1.6642 3.4957 3.4957 4.0100 4.0100 4.3411 4.3411 4.9733 4.9733 5.4099 5.4099 7.6430 7.6430 7.7266 7.7266 8.0308 8.0308 8.4878 8.4878 k = 0.0889 0.1540-0.0000 ( 7373 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0344 -17.0344 -16.6626 -16.6626 -16.6491 -16.6491 -3.9592 -3.9592 -3.0566 -3.0566 1.6318 1.6318 3.5908 3.5908 4.1139 4.1139 4.3923 4.3923 5.0326 5.0326 5.4542 5.4542 7.6496 7.6496 7.6884 7.6884 8.0073 8.0073 8.4391 8.4391 k = 0.0815 0.1411-0.0000 ( 7381 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0342 -17.0342 -16.6626 -16.6626 -16.6487 -16.6487 -3.9819 -3.9819 -3.0666 -3.0666 1.6017 1.6017 3.6851 3.6851 4.2070 4.2070 4.4507 4.4507 5.0918 5.0918 5.4963 5.4963 7.6313 7.6313 7.6640 7.6640 7.9871 7.9871 8.3900 8.3900 k = 0.0741 0.1283-0.0000 ( 7379 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0340 -17.0340 -16.6625 -16.6625 -16.6483 -16.6483 -4.0028 -4.0028 -3.0759 -3.0759 1.5740 1.5740 3.7774 3.7774 4.2842 4.2842 4.5203 4.5203 5.1513 5.1513 5.5363 5.5363 7.5791 7.5791 7.6609 7.6609 7.9702 7.9702 8.3474 8.3474 k = 0.0667 0.1155-0.0000 ( 7379 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0338 -17.0338 -16.6624 -16.6624 -16.6480 -16.6480 -4.0220 -4.0220 -3.0846 -3.0846 1.5487 1.5487 3.8663 3.8663 4.3445 4.3445 4.6007 4.6007 5.2117 5.2117 5.5739 5.5739 7.5176 7.5176 7.6539 7.6539 7.9564 7.9564 8.3093 8.3093 k = 0.0593 0.1026-0.0000 ( 7389 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0337 -17.0337 -16.6624 -16.6624 -16.6477 -16.6477 -4.0392 -4.0392 -3.0925 -3.0925 1.5260 1.5260 3.9503 3.9503 4.3922 4.3922 4.6860 4.6860 5.2736 5.2736 5.6092 5.6092 7.4510 7.4510 7.6396 7.6396 7.9449 7.9449 8.2733 8.2733 k = 0.0519 0.0898-0.0000 ( 7399 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0335 -17.0335 -16.6623 -16.6623 -16.6474 -16.6474 -4.0545 -4.0545 -3.0997 -3.0997 1.5058 1.5058 4.0275 4.0275 4.4324 4.4324 4.7694 4.7694 5.3376 5.3376 5.6418 5.6418 7.3821 7.3821 7.6167 7.6167 7.9346 7.9346 8.2372 8.2372 k = 0.0444 0.0770-0.0000 ( 7403 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0334 -17.0334 -16.6623 -16.6623 -16.6471 -16.6471 -4.0678 -4.0678 -3.1059 -3.1059 1.4882 1.4882 4.0959 4.0959 4.4688 4.4688 4.8454 4.8454 5.4039 5.4039 5.6716 5.6716 7.3136 7.3136 7.5845 7.5845 7.9243 7.9243 8.2007 8.2007 k = 0.0370 0.0642-0.0000 ( 7407 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0333 -17.0333 -16.6623 -16.6623 -16.6469 -16.6469 -4.0792 -4.0792 -3.1113 -3.1113 1.4733 1.4733 4.1537 4.1537 4.5031 4.5031 4.9107 4.9107 5.4713 5.4713 5.6984 5.6984 7.2485 7.2485 7.5431 7.5431 7.9128 7.9128 8.1649 8.1649 k = 0.0296 0.0513-0.0000 ( 7415 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0332 -17.0332 -16.6623 -16.6623 -16.6467 -16.6467 -4.0885 -4.0885 -3.1157 -3.1157 1.4611 1.4611 4.1999 4.1999 4.5354 4.5354 4.9635 4.9635 5.5370 5.5370 5.7219 5.7219 7.1900 7.1900 7.4947 7.4947 7.9002 7.9002 8.1318 8.1318 k = 0.0222 0.0385-0.0000 ( 7431 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6465 -16.6465 -4.0957 -4.0957 -3.1192 -3.1192 1.4515 1.4515 4.2345 4.2345 4.5645 4.5645 5.0036 5.0036 5.5962 5.5962 5.7419 5.7419 7.1407 7.1407 7.4446 7.4446 7.8876 7.8876 8.1035 8.1035 k = 0.0148 0.0257-0.0000 ( 7439 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6464 -16.6464 -4.1009 -4.1009 -3.1217 -3.1217 1.4447 1.4447 4.2580 4.2580 4.5879 4.5879 5.0314 5.0314 5.6432 5.6432 5.7583 5.7583 7.1034 7.1034 7.4003 7.4003 7.8770 7.8770 8.0827 8.0828 k = 0.0074 0.0128-0.0000 ( 7447 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6464 -16.6464 -4.1041 -4.1041 -3.1232 -3.1232 1.4406 1.4406 4.2716 4.2716 4.6033 4.6033 5.0477 5.0477 5.6728 5.6728 5.7699 5.7699 7.0801 7.0801 7.3697 7.3697 7.8700 7.8700 8.0708 8.0708 k = 0.0000 0.0000 0.0000 ( 7463 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1045 -37.1045 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.1051 -4.1051 -3.1237 -3.1237 1.4392 1.4392 4.2760 4.2760 4.6086 4.6086 5.0531 5.0531 5.6827 5.6827 5.7743 5.7743 7.0721 7.0721 7.3587 7.3587 7.8675 7.8675 8.0670 8.0709 k = 0.0000 0.0000 0.0000 ( 7463 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1045 -37.1045 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.1051 -4.1051 -3.1237 -3.1237 1.4392 1.4392 4.2760 4.2760 4.6086 4.6086 5.0531 5.0531 5.6827 5.6827 5.7743 5.7743 7.0721 7.0721 7.3587 7.3587 7.8675 7.8675 8.0669 8.0684 k = 0.0000 0.0000 0.0146 ( 7445 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.1041 -4.1041 -3.1256 -3.1256 1.4433 1.4433 4.2770 4.2770 4.6096 4.6096 5.0487 5.0487 5.6805 5.6805 5.7600 5.7600 7.0721 7.0721 7.3743 7.3743 7.8703 7.8703 8.0668 8.0671 k = 0.0000 0.0000 0.0293 ( 7433 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.1011 -4.1011 -3.1311 -3.1311 1.4556 1.4556 4.2798 4.2798 4.6126 4.6126 5.0354 5.0354 5.6736 5.6736 5.7194 5.7194 7.0725 7.0725 7.4178 7.4178 7.8794 7.8794 8.0662 8.0669 k = 0.0000 0.0000 0.0439 ( 7433 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.0961 -4.0961 -3.1402 -3.1402 1.4759 1.4759 4.2844 4.2844 4.6176 4.6176 5.0125 5.0125 5.6580 5.6580 5.6624 5.6624 7.0741 7.0741 7.4811 7.4811 7.8970 7.8970 8.0649 8.0660 k = 0.0000 0.0000 0.0586 ( 7433 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3921 -37.3921 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.0892 -4.0892 -3.1528 -3.1528 1.5043 1.5043 4.2909 4.2909 4.6246 4.6246 4.9787 4.9787 5.5832 5.5832 5.6470 5.6470 7.0773 7.0773 7.5532 7.5532 7.9280 7.9280 8.0630 8.0657 k = 0.0000 0.0000 0.0732 ( 7415 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.0803 -4.0803 -3.1687 -3.1687 1.5403 1.5403 4.2990 4.2990 4.6335 4.6335 4.9323 4.9323 5.5024 5.5024 5.6278 5.6278 7.0821 7.0821 7.6209 7.6209 7.9796 7.9796 8.0585 8.0598 k = 0.0000 0.0000 0.0878 ( 7415 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1039 -37.1039 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.0694 -4.0694 -3.1876 -3.1876 1.5839 1.5839 4.3089 4.3089 4.6443 4.6443 4.8718 4.8718 5.4219 5.4219 5.6049 5.6049 7.0884 7.0884 7.6739 7.6739 8.0524 8.0524 8.0546 8.0546 k = 0.0000 0.0000 0.1025 ( 7403 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.0567 -4.0567 -3.2094 -3.2094 1.6347 1.6347 4.3202 4.3202 4.6571 4.6571 4.7960 4.7960 5.3464 5.3464 5.5789 5.5789 7.0960 7.0960 7.7101 7.7101 8.0444 8.0444 8.0483 8.0483 k = 0.0000 0.0000 0.1171 ( 7397 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3882 -37.3882 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.0422 -4.0422 -3.2337 -3.2337 1.6925 1.6925 4.3325 4.3325 4.6716 4.6716 4.7059 4.7059 5.2783 5.2783 5.5502 5.5502 7.1046 7.1046 7.7340 7.7340 8.0347 8.0347 8.0390 8.0390 k = 0.0000 0.0000 0.1317 ( 7379 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1044 -37.1044 -37.1038 -37.1038 -37.1004 -37.1004 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.0258 -4.0258 -3.2604 -3.2604 1.7568 1.7568 4.3446 4.3446 4.6046 4.6046 4.6880 4.6880 5.2178 5.2178 5.5190 5.5190 7.1141 7.1141 7.7501 7.7501 8.0235 8.0235 8.0283 8.0283 k = 0.0000 0.0000 0.1464 ( 7385 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1044 -37.1044 -37.1038 -37.1038 -37.1004 -37.1004 -37.0998 -37.0998 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -4.0078 -4.0078 -3.2889 -3.2889 1.8273 1.8273 4.3511 4.3511 4.5005 4.5005 4.7061 4.7061 5.1637 5.1637 5.4860 5.4860 7.1243 7.1243 7.7616 7.7616 8.0113 8.0113 8.0166 8.0166 k = 0.0000 0.0000 0.1610 ( 7367 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1044 -37.1044 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.9881 -3.9881 -3.3191 -3.3191 1.9036 1.9036 4.3178 4.3178 4.4309 4.4309 4.7258 4.7258 5.1143 5.1143 5.4515 5.4515 7.1349 7.1349 7.7701 7.7701 7.9986 7.9986 8.0044 8.0044 k = 0.0000 0.0000 0.1757 ( 7349 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.9669 -3.9669 -3.3505 -3.3505 1.9853 1.9853 4.2146 4.2146 4.4279 4.4279 4.7471 4.7471 5.0684 5.0684 5.4159 5.4159 7.1456 7.1456 7.7767 7.7767 7.9858 7.9858 7.9922 7.9922 k = 0.0000 0.0000 0.1903 ( 7337 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.9444 -3.9444 -3.3829 -3.3829 2.0717 2.0717 4.0915 4.0915 4.4440 4.4440 4.7697 4.7697 5.0251 5.0251 5.3796 5.3796 7.1563 7.1563 7.7819 7.7819 7.9733 7.9733 7.9803 7.9803 k = 0.0000 0.0000 0.2049 ( 7337 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.9207 -3.9207 -3.4158 -3.4158 2.1623 2.1623 3.9641 3.9641 4.4648 4.4648 4.7935 4.7935 4.9838 4.9838 5.3433 5.3433 7.1667 7.1667 7.7860 7.7860 7.9616 7.9616 7.9690 7.9690 k = 0.0000 0.0000 0.2196 ( 7337 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.8960 -3.8960 -3.4488 -3.4488 2.2563 2.2563 3.8364 3.8364 4.4879 4.4879 4.8181 4.8181 4.9443 4.9443 5.3073 5.3073 7.1764 7.1764 7.7892 7.7892 7.9509 7.9509 7.9587 7.9587 k = 0.0000 0.0000 0.2342 ( 7337 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.8708 -3.8708 -3.4814 -3.4814 2.3525 2.3525 3.7107 3.7107 4.5122 4.5122 4.8431 4.8431 4.9067 4.9067 5.2723 5.2723 7.1853 7.1853 7.7917 7.7917 7.9415 7.9415 7.9495 7.9495 k = 0.0000 0.0000 0.2488 ( 7319 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.8456 -3.8456 -3.5127 -3.5127 2.4492 2.4492 3.5893 3.5893 4.5369 4.5369 4.8679 4.8679 4.8713 4.8713 5.2391 5.2391 7.1929 7.1929 7.7936 7.7936 7.9335 7.9335 7.9419 7.9419 k = 0.0000 0.0000 0.2635 ( 7307 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.8216 -3.8216 -3.5417 -3.5417 2.5433 2.5433 3.4759 3.4759 4.5610 4.5610 4.8391 4.8391 4.8913 4.8913 5.2091 5.2091 7.1992 7.1992 7.7950 7.7950 7.9272 7.9272 7.9357 7.9357 k = 0.0000 0.0000 0.2781 ( 7331 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.8003 -3.8003 -3.5666 -3.5666 2.6288 2.6288 3.3764 3.3764 4.5827 4.5827 4.8117 4.8117 4.9115 4.9115 5.1840 5.1840 7.2038 7.2038 7.7959 7.7959 7.9226 7.9226 7.9313 7.9313 k = 0.0000 0.0000 0.2928 ( 7337 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.7848 -3.7848 -3.5842 -3.5842 2.6938 2.6938 3.3029 3.3029 4.5987 4.5987 4.7922 4.7922 4.9258 4.9258 5.1668 5.1668 7.2067 7.2067 7.7964 7.7964 7.9198 7.9198 7.9285 7.9285 k = 0.0000 0.0000 0.3074 ( 7320 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.7790 -3.7790 -3.5908 -3.5908 2.7194 2.7194 3.2745 3.2745 4.6049 4.6049 4.7850 4.7850 4.9311 4.9311 5.1605 5.1605 7.2076 7.2076 7.7966 7.7966 7.9188 7.9188 7.9276 7.9276 k = 0.0000 0.0000 0.3074 ( 7320 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.7790 -3.7790 -3.5908 -3.5908 2.7194 2.7194 3.2745 3.2745 4.6049 4.6049 4.7850 4.7850 4.9311 4.9311 5.1605 5.1605 7.2076 7.2076 7.7966 7.7966 7.9188 7.9188 7.9276 7.9276 k = 0.0128 0.0074 0.3074 ( 7322 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.7782 -3.7782 -3.5899 -3.5899 2.7188 2.7188 3.2743 3.2743 4.6018 4.6018 4.7780 4.7780 4.9294 4.9294 5.1542 5.1542 7.2177 7.2177 7.7935 7.7935 7.9245 7.9245 7.9355 7.9355 k = 0.0256 0.0148 0.3074 ( 7318 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6464 -16.6464 -3.7757 -3.7757 -3.5872 -3.5872 2.7170 2.7170 3.2736 3.2736 4.5927 4.5927 4.7578 4.7578 4.9240 4.9240 5.1360 5.1360 7.2467 7.2467 7.7872 7.7872 7.9370 7.9370 7.9607 7.9607 k = 0.0385 0.0222 0.3074 ( 7320 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6465 -16.6465 -3.7716 -3.7716 -3.5827 -3.5827 2.7140 2.7140 3.2722 3.2722 4.5771 4.5771 4.7254 4.7254 4.9142 4.9142 5.1086 5.1086 7.2914 7.2914 7.7824 7.7824 7.9557 7.9557 7.9992 7.9992 k = 0.0513 0.0296 0.3074 ( 7336 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7788 -35.7788 -17.0332 -17.0332 -16.6623 -16.6623 -16.6467 -16.6467 -3.7659 -3.7659 -3.5765 -3.5765 2.7096 2.7096 3.2697 3.2697 4.5547 4.5547 4.6827 4.6827 4.8989 4.8989 5.0755 5.0755 7.3464 7.3464 7.7838 7.7838 7.9809 7.9809 8.0467 8.0467 k = 0.0641 0.0370 0.3074 ( 7330 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7787 -35.7787 -17.0333 -17.0333 -16.6623 -16.6623 -16.6468 -16.6468 -3.7586 -3.7586 -3.5685 -3.5685 2.7038 2.7038 3.2658 3.2658 4.5247 4.5247 4.6324 4.6324 4.8773 4.8773 5.0408 5.0408 7.4036 7.4036 7.7967 7.7967 8.0126 8.0126 8.1007 8.1007 k = 0.0769 0.0444 0.3074 ( 7346 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1043 -37.1043 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7787 -35.7787 -17.0334 -17.0334 -16.6623 -16.6623 -16.6471 -16.6471 -3.7496 -3.7496 -3.5589 -3.5589 2.6963 2.6963 3.2598 3.2598 4.4859 4.4859 4.5777 4.5777 4.8489 4.8489 5.0078 5.0078 7.4527 7.4527 7.8280 7.8280 8.0502 8.0502 8.1585 8.1585 k = 0.0897 0.0518 0.3074 ( 7354 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7787 -35.7787 -17.0335 -17.0335 -16.6624 -16.6624 -16.6473 -16.6473 -3.7392 -3.7392 -3.5475 -3.5475 2.6870 2.6870 3.2508 3.2508 4.4371 4.4371 4.5227 4.5227 4.8141 4.8141 4.9782 4.9782 7.4847 7.4847 7.8835 7.8835 8.0931 8.0931 8.2172 8.2172 k = 0.1026 0.0592 0.3074 ( 7354 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0337 -17.0337 -16.6624 -16.6624 -16.6476 -16.6476 -3.7272 -3.7272 -3.5345 -3.5345 2.6756 2.6756 3.2378 3.2378 4.3795 4.3795 4.4695 4.4695 4.7748 4.7748 4.9521 4.9521 7.4977 7.4977 7.9618 7.9618 8.1408 8.1408 8.2734 8.2734 k = 0.1154 0.0666 0.3074 ( 7358 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7787 -35.7787 -17.0338 -17.0338 -16.6625 -16.6625 -16.6480 -16.6480 -3.7137 -3.7137 -3.5200 -3.5200 2.6619 2.6619 3.2195 3.2195 4.3172 4.3172 4.4177 4.4177 4.7326 4.7326 4.9286 4.9286 7.4955 7.4955 8.0551 8.0551 8.1928 8.1928 8.3233 8.3233 k = 0.1282 0.0740 0.3074 ( 7352 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7786 -35.7786 -17.0340 -17.0340 -16.6625 -16.6625 -16.6483 -16.6483 -3.6987 -3.6987 -3.5039 -3.5039 2.6456 2.6456 3.1947 3.1947 4.2551 4.2551 4.3663 4.3663 4.6894 4.6894 4.9068 4.9068 7.4828 7.4828 8.1531 8.1531 8.2490 8.2490 8.3629 8.3629 k = 0.1410 0.0814 0.3074 ( 7354 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7786 -35.7786 -17.0342 -17.0342 -16.6626 -16.6626 -16.6487 -16.6487 -3.6824 -3.6824 -3.4864 -3.4864 2.6264 2.6264 3.1619 3.1619 4.1969 4.1969 4.3154 4.3154 4.6458 4.6458 4.8860 4.8860 7.4627 7.4627 8.2377 8.2377 8.3096 8.3096 8.3878 8.3878 k = 0.1538 0.0888 0.3074 ( 7354 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0344 -17.0344 -16.6626 -16.6626 -16.6491 -16.6491 -3.6647 -3.6647 -3.4676 -3.4676 2.6041 2.6041 3.1202 3.1202 4.1452 4.1452 4.2655 4.2655 4.6027 4.6027 4.8658 4.8658 7.4371 7.4371 8.2655 8.2655 8.3636 8.3636 8.4069 8.4069 k = 0.1667 0.0962 0.3074 ( 7350 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7786 -35.7786 -17.0346 -17.0346 -16.6627 -16.6627 -16.6495 -16.6495 -3.6458 -3.6458 -3.4474 -3.4474 2.5784 2.5784 3.0691 3.0691 4.1013 4.1013 4.2181 4.2181 4.5601 4.5601 4.8460 4.8460 7.4070 7.4070 8.2222 8.2222 8.4023 8.4023 8.4328 8.4328 k = 0.1795 0.1036 0.3074 ( 7360 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7785 -35.7785 -17.0348 -17.0348 -16.6628 -16.6628 -16.6500 -16.6500 -3.6256 -3.6256 -3.4261 -3.4261 2.5491 2.5491 3.0089 3.0089 4.0648 4.0648 4.1748 4.1748 4.5184 4.5184 4.8266 4.8266 7.3733 7.3733 8.1587 8.1587 8.4038 8.4038 8.4836 8.4836 k = 0.1923 0.1110 0.3074 ( 7352 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3885 -37.3885 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0998 -37.0998 -35.7785 -35.7785 -17.0350 -17.0350 -16.6629 -16.6629 -16.6504 -16.6504 -3.6044 -3.6044 -3.4037 -3.4037 2.5161 2.5161 2.9404 2.9404 4.0342 4.0342 4.1379 4.1379 4.4777 4.4777 4.8076 4.8076 7.3368 7.3368 8.0938 8.0938 8.3887 8.3887 8.5406 8.5406 k = 0.2051 0.1184 0.3074 ( 7348 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3885 -37.3885 -37.1044 -37.1044 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7785 -35.7785 -17.0353 -17.0353 -16.6631 -16.6631 -16.6509 -16.6509 -3.5820 -3.5820 -3.3803 -3.3803 2.4793 2.4793 2.8649 2.8649 4.0066 4.0066 4.1099 4.1099 4.4382 4.4382 4.7889 4.7889 7.2981 7.2981 8.0317 8.0317 8.3647 8.3647 8.5971 8.5971 k = 0.2179 0.1258 0.3074 ( 7352 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3886 -37.3886 -37.1044 -37.1044 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7784 -35.7784 -17.0355 -17.0355 -16.6632 -16.6632 -16.6513 -16.6513 -3.5588 -3.5588 -3.3560 -3.3560 2.4388 2.4388 2.7841 2.7841 3.9793 3.9793 4.0925 4.0925 4.4001 4.4001 4.7706 4.7706 7.2579 7.2579 7.9736 7.9736 8.3337 8.3337 8.6514 8.6514 k = 0.2308 0.1332 0.3074 ( 7348 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3916 -37.3916 -37.3886 -37.3886 -37.1045 -37.1045 -37.1038 -37.1038 -37.1006 -37.1006 -37.0998 -37.0998 -35.7784 -35.7784 -17.0358 -17.0358 -16.6633 -16.6633 -16.6518 -16.6518 -3.5347 -3.5347 -3.3310 -3.3310 2.3949 2.3949 2.6994 2.6994 3.9518 3.9518 4.0852 4.0852 4.3637 4.3637 4.7529 4.7529 7.2168 7.2168 7.9199 7.9199 8.2968 8.2968 8.7017 8.7017 k = 0.2436 0.1406 0.3074 ( 7352 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3916 -37.3916 -37.3887 -37.3887 -37.1045 -37.1045 -37.1037 -37.1037 -37.1006 -37.1006 -37.0998 -37.0998 -35.7784 -35.7784 -17.0360 -17.0360 -16.6635 -16.6635 -16.6522 -16.6522 -3.5099 -3.5099 -3.3054 -3.3054 2.3478 2.3478 2.6125 2.6125 3.9252 3.9252 4.0857 4.0857 4.3292 4.3292 4.7358 4.7358 7.1755 7.1755 7.8706 7.8706 8.2541 8.2541 8.7244 8.7244 k = 0.2564 0.1480 0.3074 ( 7360 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3887 -37.3887 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0998 -37.0998 -35.7783 -35.7783 -17.0363 -17.0363 -16.6637 -16.6637 -16.6526 -16.6526 -3.4845 -3.4845 -3.2794 -3.2794 2.2979 2.2979 2.5245 2.5245 3.9004 3.9004 4.0913 4.0913 4.2972 4.2972 4.7195 4.7195 7.1348 7.1348 7.8256 7.8256 8.2056 8.2056 8.6463 8.6463 k = 0.2692 0.1554 0.3074 ( 7348 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3888 -37.3888 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0997 -37.0997 -35.7783 -35.7783 -17.0366 -17.0366 -16.6639 -16.6639 -16.6530 -16.6530 -3.4587 -3.4587 -3.2531 -3.2531 2.2456 2.2456 2.4366 2.4366 3.8779 3.8779 4.0997 4.0997 4.2686 4.2686 4.7042 4.7042 7.0952 7.0952 7.7849 7.7849 8.1511 8.1511 8.5681 8.5681 k = 0.2821 0.1628 0.3074 ( 7348 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3888 -37.3888 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0997 -37.0997 -35.7782 -35.7782 -17.0368 -17.0368 -16.6641 -16.6641 -16.6534 -16.6534 -3.4326 -3.4326 -3.2267 -3.2267 2.1916 2.1916 2.3497 2.3497 3.8579 3.8579 4.1081 4.1081 4.2449 4.2449 4.6900 4.6900 7.0573 7.0573 7.7483 7.7483 8.0907 8.0907 8.4965 8.4965 k = 0.2949 0.1702 0.3074 ( 7342 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3914 -37.3914 -37.3889 -37.3889 -37.1045 -37.1045 -37.1036 -37.1036 -37.1007 -37.1007 -37.0997 -37.0997 -35.7782 -35.7782 -17.0371 -17.0371 -16.6643 -16.6643 -16.6537 -16.6537 -3.4063 -3.4063 -3.2003 -3.2003 2.1363 2.1363 2.2646 2.2646 3.8403 3.8403 4.1132 4.1132 4.2284 4.2284 4.6771 4.6771 7.0216 7.0216 7.7156 7.7156 8.0247 8.0247 8.4322 8.4322 k = 0.3077 0.1776 0.3074 ( 7350 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3914 -37.3914 -37.3889 -37.3889 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0373 -17.0373 -16.6645 -16.6645 -16.6541 -16.6541 -3.3801 -3.3801 -3.1742 -3.1742 2.0803 2.0803 2.1822 2.1822 3.8248 3.8248 4.1114 4.1114 4.2222 4.2222 4.6657 4.6657 6.9885 6.9885 7.6868 7.6868 7.9544 7.9544 8.3746 8.3746 k = 0.3205 0.1850 0.3074 ( 7360 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3913 -37.3913 -37.3890 -37.3890 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0376 -17.0376 -16.6647 -16.6647 -16.6544 -16.6544 -3.3540 -3.3540 -3.1485 -3.1485 2.0241 2.0241 2.1032 2.1032 3.8112 3.8112 4.1022 4.1022 4.2258 4.2258 4.6560 4.6560 6.9583 6.9583 7.6617 7.6617 7.8811 7.8811 8.3229 8.3229 k = 0.3333 0.1925 0.3074 ( 7358 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3913 -37.3913 -37.3891 -37.3891 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7781 -35.7781 -17.0378 -17.0378 -16.6649 -16.6649 -16.6547 -16.6547 -3.3284 -3.3284 -3.1234 -3.1234 1.9679 1.9679 2.0283 2.0283 3.7992 3.7992 4.0887 4.0887 4.2359 4.2359 4.6482 4.6482 6.9313 6.9313 7.6401 7.6401 7.8066 7.8066 8.2759 8.2759 k = 0.3462 0.1999 0.3074 ( 7358 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3912 -37.3912 -37.3891 -37.3891 -37.1046 -37.1046 -37.1036 -37.1036 -37.1009 -37.1009 -37.0997 -37.0997 -35.7781 -35.7781 -17.0380 -17.0380 -16.6652 -16.6652 -16.6549 -16.6549 -3.3035 -3.3035 -3.0992 -3.0992 1.9117 1.9117 1.9587 1.9587 3.7884 3.7884 4.0738 4.0738 4.2486 4.2486 4.6426 4.6426 6.9077 6.9077 7.6216 7.6216 7.7327 7.7327 8.2326 8.2326 k = 0.3590 0.2073 0.3074 ( 7358 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3912 -37.3912 -37.3892 -37.3892 -37.1046 -37.1046 -37.1036 -37.1036 -37.1009 -37.1009 -37.0997 -37.0997 -35.7781 -35.7781 -17.0382 -17.0382 -16.6654 -16.6654 -16.6552 -16.6552 -3.2793 -3.2793 -3.0760 -3.0760 1.8556 1.8556 1.8953 1.8953 3.7786 3.7786 4.0594 4.0594 4.2619 4.2619 4.6391 4.6391 6.8876 6.8876 7.6038 7.6038 7.6629 7.6629 8.1921 8.1921 k = 0.3718 0.2147 0.3074 ( 7358 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3911 -37.3911 -37.3892 -37.3892 -37.1046 -37.1046 -37.1035 -37.1035 -37.1009 -37.1009 -37.0997 -37.0997 -35.7780 -35.7780 -17.0384 -17.0384 -16.6657 -16.6657 -16.6554 -16.6554 -3.2562 -3.2562 -3.0540 -3.0540 1.7997 1.7997 1.8388 1.8388 3.7696 3.7696 4.0461 4.0461 4.2745 4.2745 4.6380 4.6380 6.8712 6.8712 7.5696 7.5696 7.6152 7.6152 8.1539 8.1539 k = 0.3846 0.2221 0.3074 ( 7358 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3911 -37.3911 -37.3893 -37.3893 -37.1046 -37.1046 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7780 -35.7780 -17.0386 -17.0386 -16.6659 -16.6659 -16.6555 -16.6555 -3.2344 -3.2344 -3.0334 -3.0334 1.7455 1.7455 1.7886 1.7886 3.7614 3.7614 4.0344 4.0344 4.2856 4.2856 4.6389 4.6389 6.8583 6.8583 7.5084 7.5084 7.6008 7.6008 8.1175 8.1175 k = 0.3974 0.2295 0.3074 ( 7370 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3911 -37.3911 -37.3894 -37.3894 -37.1047 -37.1047 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7780 -35.7780 -17.0388 -17.0388 -16.6661 -16.6661 -16.6557 -16.6557 -3.2141 -3.2141 -3.0144 -3.0144 1.6947 1.6947 1.7437 1.7437 3.7538 3.7538 4.0244 4.0244 4.2950 4.2950 4.6418 4.6418 6.8490 6.8490 7.4446 7.4446 7.5959 7.5959 8.0829 8.0829 k = 0.4103 0.2369 0.3074 ( 7370 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3894 -37.3894 -37.1047 -37.1047 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7780 -35.7780 -17.0389 -17.0389 -16.6663 -16.6663 -16.6558 -16.6558 -3.1955 -3.1955 -2.9972 -2.9972 1.6485 1.6485 1.7038 1.7038 3.7468 3.7468 4.0161 4.0161 4.3025 4.3025 4.6462 4.6462 6.8432 6.8432 7.3840 7.3840 7.5953 7.5953 8.0500 8.0500 k = 0.4231 0.2443 0.3074 ( 7370 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3894 -37.3894 -37.1047 -37.1047 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7780 -35.7780 -17.0391 -17.0391 -16.6665 -16.6665 -16.6559 -16.6559 -3.1789 -3.1789 -2.9819 -2.9819 1.6076 1.6076 1.6687 1.6687 3.7406 3.7406 4.0092 4.0092 4.3082 4.3082 4.6516 4.6516 6.8407 6.8407 7.3278 7.3278 7.5977 7.5977 8.0190 8.0190 k = 0.4359 0.2517 0.3074 ( 7372 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3895 -37.3895 -37.1047 -37.1047 -37.1035 -37.1035 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0392 -17.0392 -16.6666 -16.6666 -16.6560 -16.6560 -3.1644 -3.1644 -2.9687 -2.9687 1.5724 1.5724 1.6385 1.6385 3.7351 3.7351 4.0038 4.0038 4.3125 4.3125 4.6575 4.6575 6.8410 6.8410 7.2771 7.2771 7.6026 7.6026 7.9902 7.9902 k = 0.4487 0.2591 0.3074 ( 7376 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1035 -37.1035 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0393 -17.0393 -16.6667 -16.6667 -16.6561 -16.6561 -3.1523 -3.1523 -2.9577 -2.9577 1.5433 1.5433 1.6134 1.6134 3.7304 3.7304 3.9996 3.9996 4.3155 4.3155 4.6632 4.6632 6.8437 6.8437 7.2328 7.2328 7.6090 7.6090 7.9643 7.9643 k = 0.4615 0.2665 0.3074 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0393 -17.0393 -16.6668 -16.6668 -16.6562 -16.6562 -3.1426 -3.1426 -2.9491 -2.9491 1.5205 1.5205 1.5937 1.5937 3.7267 3.7267 3.9966 3.9966 4.3175 4.3175 4.6682 4.6682 6.8478 6.8478 7.1959 7.1959 7.6160 7.6160 7.9423 7.9423 k = 0.4744 0.2739 0.3074 ( 7368 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6669 -16.6669 -16.6562 -16.6562 -3.1357 -3.1357 -2.9429 -2.9429 1.5041 1.5041 1.5795 1.5795 3.7240 3.7240 3.9945 3.9945 4.3188 4.3188 4.6721 4.6721 6.8524 6.8524 7.1678 7.1678 7.6224 7.6224 7.9251 7.9251 k = 0.4872 0.2813 0.3074 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1315 -3.1315 -2.9391 -2.9391 1.4942 1.4942 1.5709 1.5709 3.7223 3.7223 3.9932 3.9932 4.3195 4.3195 4.6746 4.6746 6.8560 6.8560 7.1501 7.1501 7.6270 7.6270 7.9141 7.9141 k = 0.5000 0.2887 0.3074 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1300 -3.1300 -2.9378 -2.9378 1.4909 1.4909 1.5680 1.5680 3.7217 3.7217 3.9928 3.9928 4.3197 4.3197 4.6755 4.6755 6.8574 6.8574 7.1440 7.1440 7.6287 7.6287 7.9103 7.9103 k = 0.5000 0.2887 0.3074 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1300 -3.1300 -2.9378 -2.9378 1.4909 1.4909 1.5680 1.5680 3.7217 3.7217 3.9928 3.9928 4.3197 4.3197 4.6755 4.6755 6.8574 6.8574 7.1440 7.1440 7.6287 7.6287 7.9103 7.9103 k = 0.4928 0.3012 0.3074 ( 7354 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1295 -3.1295 -2.9377 -2.9377 1.4920 1.4920 1.5689 1.5689 3.7179 3.7179 3.9873 3.9873 4.3184 4.3184 4.6723 4.6723 6.8630 6.8630 7.1508 7.1508 7.6355 7.6355 7.9105 7.9105 k = 0.4855 0.3138 0.3074 ( 7366 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6669 -16.6669 -16.6563 -16.6563 -3.1279 -3.1279 -2.9373 -2.9373 1.4952 1.4952 1.5716 1.5716 3.7062 3.7062 3.9713 3.9713 4.3139 4.3139 4.6635 4.6635 6.8793 6.8793 7.1709 7.1709 7.6562 7.6562 7.9114 7.9114 k = 0.4783 0.3263 0.3074 ( 7368 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0395 -17.0395 -16.6669 -16.6669 -16.6564 -16.6564 -3.1251 -3.1251 -2.9365 -2.9365 1.5005 1.5005 1.5761 1.5761 3.6858 3.6858 3.9465 3.9465 4.3055 4.3055 4.6509 4.6509 6.9047 6.9047 7.2032 7.2032 7.6909 7.6909 7.9136 7.9136 k = 0.4710 0.3389 0.3074 ( 7372 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0395 -17.0395 -16.6668 -16.6668 -16.6565 -16.6565 -3.1214 -3.1214 -2.9356 -2.9356 1.5078 1.5078 1.5824 1.5824 3.6561 3.6561 3.9149 3.9149 4.2925 4.2925 4.6366 4.6366 6.9369 6.9369 7.2456 7.2456 7.7399 7.7399 7.9183 7.9183 k = 0.4638 0.3514 0.3074 ( 7372 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1048 -37.1048 -37.1034 -37.1034 -37.1012 -37.1012 -37.0997 -37.0997 -35.7779 -35.7779 -17.0395 -17.0395 -16.6668 -16.6668 -16.6567 -16.6567 -3.1166 -3.1166 -2.9344 -2.9344 1.5171 1.5171 1.5904 1.5904 3.6164 3.6164 3.8776 3.8776 4.2757 4.2757 4.6225 4.6225 6.9735 6.9735 7.2954 7.2954 7.8034 7.8034 7.9269 7.9269 k = 0.4565 0.3640 0.3074 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1048 -37.1048 -37.1033 -37.1033 -37.1012 -37.1012 -37.0996 -37.0996 -35.7779 -35.7779 -17.0395 -17.0395 -16.6667 -16.6667 -16.6568 -16.6568 -3.1108 -3.1108 -2.9330 -2.9330 1.5282 1.5282 1.6003 1.6003 3.5675 3.5675 3.8346 3.8346 4.2571 4.2571 4.6097 4.6097 7.0124 7.0124 7.3491 7.3491 7.8805 7.8805 7.9421 7.9421 k = 0.4493 0.3765 0.3074 ( 7344 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1048 -37.1048 -37.1033 -37.1033 -37.1012 -37.1012 -37.0996 -37.0996 -35.7779 -35.7779 -17.0396 -17.0396 -16.6665 -16.6665 -16.6571 -16.6571 -3.1041 -3.1041 -2.9314 -2.9314 1.5409 1.5409 1.6118 1.6118 3.5105 3.5105 3.7853 3.7853 4.2393 4.2393 4.5985 4.5985 7.0520 7.0520 7.4024 7.4024 7.9613 7.9613 7.9757 7.9757 k = 0.4420 0.3891 0.3074 ( 7344 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1048 -37.1048 -37.1032 -37.1032 -37.1012 -37.1012 -37.0996 -37.0996 -35.7779 -35.7779 -17.0396 -17.0396 -16.6664 -16.6664 -16.6573 -16.6573 -3.0965 -3.0965 -2.9298 -2.9298 1.5552 1.5552 1.6251 1.6251 3.4471 3.4471 3.7293 3.7293 4.2246 4.2246 4.5885 4.5885 7.0915 7.0915 7.4507 7.4507 8.0003 8.0003 8.0743 8.0743 k = 0.4348 0.4016 0.3074 ( 7332 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3896 -37.3896 -37.1048 -37.1048 -37.1032 -37.1032 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0396 -17.0396 -16.6663 -16.6663 -16.6575 -16.6575 -3.0881 -3.0881 -2.9281 -2.9281 1.5707 1.5707 1.6401 1.6401 3.3792 3.3792 3.6669 3.6669 4.2146 4.2146 4.5791 4.5791 7.1304 7.1304 7.4906 7.4906 8.0496 8.0496 8.1855 8.1855 k = 0.4275 0.4142 0.3074 ( 7346 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3897 -37.3897 -37.1048 -37.1048 -37.1031 -37.1031 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0397 -17.0397 -16.6661 -16.6661 -16.6578 -16.6578 -3.0790 -3.0790 -2.9264 -2.9264 1.5872 1.5872 1.6568 1.6568 3.3084 3.3084 3.5992 3.5992 4.2095 4.2095 4.5700 4.5700 7.1686 7.1686 7.5204 7.5204 8.1118 8.1118 8.3040 8.3040 k = 0.4203 0.4267 0.3074 ( 7350 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3897 -37.3897 -37.1049 -37.1049 -37.1031 -37.1031 -37.1014 -37.1014 -37.0996 -37.0996 -35.7779 -35.7779 -17.0397 -17.0397 -16.6659 -16.6659 -16.6581 -16.6581 -3.0692 -3.0692 -2.9248 -2.9248 1.6044 1.6044 1.6750 1.6750 3.2362 3.2362 3.5281 3.5281 4.2091 4.2091 4.5606 4.5606 7.2061 7.2061 7.5406 7.5406 8.1846 8.1846 8.4268 8.4268 k = 0.4130 0.4393 0.3074 ( 7354 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3898 -37.3898 -37.1049 -37.1049 -37.1030 -37.1030 -37.1014 -37.1014 -37.0996 -37.0996 -35.7778 -35.7778 -17.0398 -17.0398 -16.6657 -16.6657 -16.6585 -16.6585 -3.0589 -3.0589 -2.9234 -2.9234 1.6219 1.6219 1.6948 1.6948 3.1641 3.1641 3.4553 3.4553 4.2128 4.2128 4.5509 4.5509 7.2431 7.2431 7.5531 7.5531 8.2641 8.2641 8.5505 8.5505 k = 0.4058 0.4518 0.3074 ( 7358 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3898 -37.3898 -37.1049 -37.1049 -37.1030 -37.1030 -37.1015 -37.1015 -37.0996 -37.0996 -35.7778 -35.7778 -17.0398 -17.0398 -16.6655 -16.6655 -16.6588 -16.6588 -3.0481 -3.0481 -2.9222 -2.9222 1.6393 1.6393 1.7158 1.7158 3.0930 3.0930 3.3826 3.3826 4.2199 4.2199 4.5407 4.5407 7.2793 7.2793 7.5599 7.5599 8.3463 8.3463 8.6688 8.6688 k = 0.3986 0.4644 0.3074 ( 7358 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3906 -37.3906 -37.3898 -37.3898 -37.1049 -37.1049 -37.1029 -37.1029 -37.1015 -37.1015 -37.0996 -37.0996 -35.7778 -35.7778 -17.0399 -17.0399 -16.6653 -16.6653 -16.6591 -16.6591 -3.0370 -3.0370 -2.9214 -2.9214 1.6564 1.6564 1.7377 1.7377 3.0241 3.0241 3.3117 3.3117 4.2299 4.2299 4.5299 4.5299 7.3149 7.3149 7.5626 7.5626 8.4278 8.4278 8.7676 8.7676 k = 0.3913 0.4769 0.3074 ( 7354 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3906 -37.3906 -37.3899 -37.3899 -37.1049 -37.1049 -37.1029 -37.1029 -37.1016 -37.1016 -37.0995 -37.0995 -35.7778 -35.7778 -17.0399 -17.0399 -16.6651 -16.6651 -16.6595 -16.6595 -3.0257 -3.0257 -2.9210 -2.9210 1.6728 1.6728 1.7602 1.7602 2.9583 2.9583 3.2442 3.2442 4.2420 4.2420 4.5184 4.5184 7.3495 7.3495 7.5626 7.5626 8.5055 8.5055 8.8174 8.8174 k = 0.3841 0.4895 0.3074 ( 7354 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3906 -37.3906 -37.3899 -37.3899 -37.1049 -37.1049 -37.1028 -37.1028 -37.1016 -37.1016 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6649 -16.6649 -16.6598 -16.6598 -3.0143 -3.0143 -2.9212 -2.9212 1.6880 1.6880 1.7827 1.7827 2.8967 2.8967 3.1813 3.1813 4.2558 4.2558 4.5064 4.5064 7.3828 7.3828 7.5608 7.5608 8.5771 8.5771 8.8140 8.8140 k = 0.3768 0.5020 0.3074 ( 7360 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3899 -37.3899 -37.1050 -37.1050 -37.1028 -37.1028 -37.1017 -37.1017 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6647 -16.6647 -16.6601 -16.6601 -3.0029 -3.0029 -2.9219 -2.9219 1.7019 1.7019 1.8046 1.8046 2.8402 2.8402 3.1243 3.1243 4.2708 4.2708 4.4938 4.4938 7.4143 7.4143 7.5577 7.5577 8.6404 8.6404 8.7896 8.7896 k = 0.3696 0.5146 0.3074 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3900 -37.3900 -37.1050 -37.1050 -37.1027 -37.1027 -37.1017 -37.1017 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6644 -16.6644 -16.6605 -16.6605 -2.9918 -2.9918 -2.9234 -2.9234 1.7139 1.7139 1.8249 1.8249 2.7900 2.7900 3.0744 3.0744 4.2866 4.2866 4.4810 4.4810 7.4434 7.4434 7.5538 7.5538 8.6927 8.6927 8.7618 8.7618 k = 0.3623 0.5271 0.3074 ( 7362 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3900 -37.3900 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6642 -16.6642 -16.6608 -16.6608 -2.9811 -2.9811 -2.9257 -2.9257 1.7239 1.7239 1.8430 1.8430 2.7469 2.7469 3.0325 3.0325 4.3024 4.3024 4.4681 4.4681 7.4694 7.4694 7.5495 7.5495 8.7180 8.7180 8.7516 8.7516 k = 0.3551 0.5397 0.3074 ( 7374 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3901 -37.3901 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6640 -16.6640 -16.6610 -16.6610 -2.9709 -2.9709 -2.9289 -2.9289 1.7315 1.7315 1.8578 1.8578 2.7123 2.7123 2.9994 2.9994 4.3176 4.3176 4.4557 4.4557 7.4916 7.4916 7.5448 7.5448 8.7012 8.7012 8.7762 8.7762 k = 0.3478 0.5522 0.3074 ( 7382 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3901 -37.3901 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6639 -16.6639 -16.6612 -16.6612 -2.9613 -2.9613 -2.9332 -2.9332 1.7368 1.7368 1.8687 1.8687 2.6869 2.6869 2.9755 2.9755 4.3310 4.3310 4.4446 4.4446 7.5094 7.5094 7.5399 7.5399 8.6837 8.6837 8.7962 8.7962 k = 0.3406 0.5648 0.3074 ( 7382 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6638 -16.6638 -16.6614 -16.6614 -2.9526 -2.9526 -2.9385 -2.9385 1.7398 1.7398 1.8753 1.8753 2.6716 2.6716 2.9613 2.9613 4.3407 4.3407 4.4364 4.4364 7.5221 7.5221 7.5350 7.5350 8.6724 8.6724 8.8071 8.8071 k = 0.3333 0.5774 0.3074 ( 7374 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9451 -2.9451 -2.9448 -2.9448 1.7407 1.7407 1.8774 1.8774 2.6665 2.6665 2.9566 2.9566 4.3444 4.3444 4.4333 4.4333 7.5284 7.5284 7.5313 7.5313 8.6686 8.6686 8.8103 8.8103 k = 0.3333 0.5774 0.3074 ( 7374 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9451 -2.9451 -2.9448 -2.9448 1.7407 1.7407 1.8774 1.8774 2.6665 2.6665 2.9566 2.9566 4.3444 4.3444 4.4333 4.4333 7.5284 7.5284 7.5313 7.5313 8.6686 8.6686 8.8103 8.8103 k = 0.3259 0.5645 0.3074 ( 7384 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6638 -16.6638 -16.6614 -16.6614 -2.9529 -2.9529 -2.9383 -2.9383 1.7400 1.7400 1.8754 1.8754 2.6716 2.6716 2.9613 2.9613 4.3406 4.3406 4.4364 4.4364 7.5245 7.5245 7.5326 7.5326 8.6725 8.6725 8.8077 8.8077 k = 0.3185 0.5517 0.3074 ( 7384 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3901 -37.3901 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6639 -16.6639 -16.6612 -16.6612 -2.9622 -2.9622 -2.9331 -2.9331 1.7381 1.7381 1.8703 1.8703 2.6865 2.6865 2.9753 2.9753 4.3305 4.3305 4.4442 4.4442 7.5195 7.5195 7.5304 7.5304 8.6837 8.6837 8.8016 8.8016 k = 0.3111 0.5389 0.3074 ( 7372 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3904 -37.3904 -37.3901 -37.3901 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6640 -16.6640 -16.6610 -16.6610 -2.9729 -2.9729 -2.9294 -2.9294 1.7358 1.7358 1.8634 1.8634 2.7100 2.7100 2.9978 2.9978 4.3167 4.3167 4.4541 4.4541 7.5146 7.5146 7.5244 7.5244 8.7004 8.7004 8.7941 8.7941 k = 0.3037 0.5260 0.3074 ( 7370 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3900 -37.3900 -37.1050 -37.1050 -37.1027 -37.1027 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6642 -16.6642 -16.6608 -16.6608 -2.9851 -2.9851 -2.9274 -2.9274 1.7338 1.7338 1.8560 1.8560 2.7409 2.7409 3.0280 3.0280 4.3007 4.3007 4.4641 4.4641 7.5098 7.5098 7.5159 7.5159 8.7198 8.7198 8.7873 8.7873 k = 0.2963 0.5132 0.3074 ( 7366 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3905 -37.3905 -37.3899 -37.3899 -37.1050 -37.1050 -37.1027 -37.1027 -37.1017 -37.1017 -37.0995 -37.0995 -35.7778 -35.7778 -17.0400 -17.0400 -16.6643 -16.6643 -16.6605 -16.6605 -2.9987 -2.9987 -2.9272 -2.9272 1.7330 1.7330 1.8493 1.8493 2.7782 2.7782 3.0651 3.0651 4.2835 4.2835 4.4731 4.4731 7.5037 7.5037 7.5076 7.5076 8.7365 8.7365 8.7840 8.7840 k = 0.2889 0.5004 0.3074 ( 7360 PWs) bands (ev): -70.4495 -70.4495 -70.4494 -70.4494 -37.3906 -37.3906 -37.3899 -37.3899 -37.1050 -37.1050 -37.1028 -37.1028 -37.1017 -37.1017 -37.0995 -37.0995 -35.7778 -35.7778 -17.0399 -17.0399 -16.6644 -16.6644 -16.6602 -16.6602 -3.0138 -3.0138 -2.9289 -2.9289 1.7341 1.7341 1.8444 1.8444 2.8208 2.8208 3.1083 3.1083 4.2656 4.2656 4.4805 4.4805 7.4943 7.4943 7.5029 7.5029 8.7439 8.7439 8.7864 8.7864 k = 0.2815 0.4875 0.3074 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3906 -37.3906 -37.3898 -37.3898 -37.1049 -37.1049 -37.1029 -37.1029 -37.1016 -37.1016 -37.0995 -37.0995 -35.7778 -35.7778 -17.0398 -17.0398 -16.6646 -16.6646 -16.6599 -16.6599 -3.0304 -3.0304 -2.9326 -2.9326 1.7377 1.7377 1.8423 1.8423 2.8678 2.8678 3.1568 3.1568 4.2474 4.2474 4.4857 4.4857 7.4851 7.4851 7.4997 7.4997 8.7420 8.7420 8.7886 8.7886 k = 0.2741 0.4747 0.3074 ( 7358 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3898 -37.3898 -37.1049 -37.1049 -37.1029 -37.1029 -37.1016 -37.1016 -37.0995 -37.0995 -35.7778 -35.7778 -17.0398 -17.0398 -16.6647 -16.6647 -16.6596 -16.6596 -3.0484 -3.0484 -2.9383 -2.9383 1.7444 1.7444 1.8434 1.8434 2.9185 2.9185 3.2098 3.2098 4.2292 4.2292 4.4884 4.4884 7.4776 7.4776 7.4975 7.4975 8.7327 8.7327 8.7834 8.7834 k = 0.2667 0.4619 0.3074 ( 7366 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3907 -37.3907 -37.3897 -37.3897 -37.1049 -37.1049 -37.1030 -37.1030 -37.1015 -37.1015 -37.0996 -37.0996 -35.7779 -35.7779 -17.0396 -17.0396 -16.6647 -16.6647 -16.6593 -16.6593 -3.0678 -3.0678 -2.9461 -2.9461 1.7547 1.7547 1.8484 1.8484 2.9724 2.9724 3.2667 3.2667 4.2111 4.2111 4.4884 4.4884 7.4728 7.4728 7.4963 7.4963 8.7116 8.7116 8.7758 8.7758 k = 0.2593 0.4491 0.3074 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1049 -37.1049 -37.1030 -37.1030 -37.1014 -37.1014 -37.0996 -37.0996 -35.7779 -35.7779 -17.0395 -17.0395 -16.6648 -16.6648 -16.6589 -16.6589 -3.0884 -3.0884 -2.9559 -2.9559 1.7690 1.7690 1.8574 1.8574 3.0290 3.0290 3.3268 3.3268 4.1934 4.1934 4.4857 4.4857 7.4712 7.4712 7.4964 7.4964 8.6764 8.6764 8.7728 8.7728 k = 0.2519 0.4362 0.3074 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3908 -37.3908 -37.3896 -37.3896 -37.1049 -37.1049 -37.1031 -37.1031 -37.1014 -37.1014 -37.0996 -37.0996 -35.7779 -35.7779 -17.0394 -17.0394 -16.6648 -16.6648 -16.6586 -16.6586 -3.1104 -3.1104 -2.9678 -2.9678 1.7876 1.7876 1.8707 1.8707 3.0879 3.0879 3.3896 3.3896 4.1764 4.1764 4.4802 4.4802 7.4733 7.4733 7.4981 7.4981 8.6319 8.6319 8.7747 8.7747 k = 0.2444 0.4234 0.3074 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1049 -37.1049 -37.1031 -37.1031 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0392 -17.0392 -16.6648 -16.6648 -16.6582 -16.6582 -3.1335 -3.1335 -2.9816 -2.9816 1.8106 1.8106 1.8885 1.8885 3.1486 3.1486 3.4543 3.4543 4.1601 4.1601 4.4719 4.4719 7.4790 7.4790 7.5017 7.5017 8.5834 8.5834 8.7795 8.7795 k = 0.2370 0.4106 0.3074 ( 7358 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1048 -37.1048 -37.1032 -37.1032 -37.1013 -37.1013 -37.0996 -37.0996 -35.7779 -35.7779 -17.0391 -17.0391 -16.6648 -16.6648 -16.6579 -16.6579 -3.1576 -3.1576 -2.9974 -2.9974 1.8379 1.8379 1.9109 1.9109 3.2108 3.2108 3.5206 3.5206 4.1450 4.1450 4.4611 4.4611 7.4879 7.4879 7.5079 7.5079 8.5339 8.5339 8.7861 8.7861 k = 0.2296 0.3977 0.3074 ( 7352 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3910 -37.3910 -37.3894 -37.3894 -37.1048 -37.1048 -37.1032 -37.1032 -37.1012 -37.1012 -37.0996 -37.0996 -35.7780 -35.7780 -17.0389 -17.0389 -16.6648 -16.6648 -16.6575 -16.6575 -3.1826 -3.1826 -3.0149 -3.0149 1.8693 1.8693 1.9381 1.9381 3.2741 3.2741 3.5877 3.5877 4.1314 4.1314 4.4481 4.4481 7.4990 7.4990 7.5178 7.5178 8.4851 8.4851 8.7933 8.7933 k = 0.2222 0.3849 0.3074 ( 7364 PWs) bands (ev): -70.4496 -70.4496 -70.4493 -70.4493 -37.3911 -37.3911 -37.3893 -37.3893 -37.1048 -37.1048 -37.1033 -37.1033 -37.1012 -37.1012 -37.0996 -37.0996 -35.7780 -35.7780 -17.0387 -17.0387 -16.6647 -16.6647 -16.6571 -16.6571 -3.2085 -3.2085 -3.0340 -3.0340 1.9043 1.9043 1.9705 1.9705 3.3383 3.3383 3.6552 3.6552 4.1196 4.1196 4.4331 4.4331 7.5108 7.5108 7.5328 7.5328 8.4381 8.4381 8.8001 8.8001 k = 0.2148 0.3721 0.3074 ( 7360 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3911 -37.3911 -37.3893 -37.3893 -37.1048 -37.1048 -37.1033 -37.1033 -37.1011 -37.1011 -37.0996 -37.0996 -35.7780 -35.7780 -17.0385 -17.0385 -16.6646 -16.6646 -16.6567 -16.6567 -3.2350 -3.2350 -3.0547 -3.0547 1.9421 1.9421 2.0085 2.0085 3.4028 3.4028 3.7222 3.7222 4.1101 4.1101 4.4167 4.4167 7.5230 7.5230 7.5531 7.5531 8.3935 8.3935 8.8048 8.8048 k = 0.2074 0.3592 0.3074 ( 7356 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3912 -37.3912 -37.3892 -37.3892 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7780 -35.7780 -17.0383 -17.0383 -16.6645 -16.6645 -16.6563 -16.6563 -3.2621 -3.2621 -3.0767 -3.0767 1.9820 1.9820 2.0524 2.0524 3.4671 3.4671 3.7880 3.7880 4.1037 4.1037 4.3997 4.3997 7.5364 7.5364 7.5774 7.5774 8.3517 8.3517 8.8059 8.8059 k = 0.2000 0.3464 0.3074 ( 7366 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3912 -37.3912 -37.3892 -37.3892 -37.1047 -37.1047 -37.1034 -37.1034 -37.1010 -37.1010 -37.0997 -37.0997 -35.7781 -35.7781 -17.0381 -17.0381 -16.6644 -16.6644 -16.6559 -16.6559 -3.2896 -3.2896 -3.0999 -3.0999 2.0234 2.0234 2.1024 2.1024 3.5307 3.5307 3.8514 3.8514 4.1013 4.1013 4.3826 4.3826 7.5515 7.5515 7.6048 7.6048 8.3128 8.3128 8.8015 8.8015 k = 0.1926 0.3336 0.3074 ( 7364 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3913 -37.3913 -37.3891 -37.3891 -37.1047 -37.1047 -37.1035 -37.1035 -37.1010 -37.1010 -37.0997 -37.0997 -35.7781 -35.7781 -17.0378 -17.0378 -16.6643 -16.6643 -16.6555 -16.6555 -3.3173 -3.3173 -3.1240 -3.1240 2.0659 2.0659 2.1582 2.1582 3.5929 3.5929 3.9105 3.9105 4.1043 4.1043 4.3668 4.3668 7.5686 7.5686 7.6346 7.6346 8.2770 8.2770 8.7901 8.7901 k = 0.1852 0.3208 0.3074 ( 7366 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3913 -37.3913 -37.3890 -37.3890 -37.1047 -37.1047 -37.1035 -37.1035 -37.1009 -37.1009 -37.0997 -37.0997 -35.7781 -35.7781 -17.0376 -17.0376 -16.6642 -16.6642 -16.6551 -16.6551 -3.3452 -3.3452 -3.1490 -3.1490 2.1092 2.1092 2.2193 2.2193 3.6528 3.6528 3.9627 3.9627 4.1151 4.1151 4.3538 4.3538 7.5876 7.5876 7.6661 7.6661 8.2441 8.2441 8.7711 8.7711 k = 0.1778 0.3079 0.3074 ( 7358 PWs) bands (ev): -70.4496 -70.4496 -70.4492 -70.4492 -37.3914 -37.3914 -37.3890 -37.3890 -37.1046 -37.1046 -37.1035 -37.1035 -37.1009 -37.1009 -37.0997 -37.0997 -35.7782 -35.7782 -17.0373 -17.0373 -16.6640 -16.6640 -16.6547 -16.6547 -3.3731 -3.3731 -3.1746 -3.1746 2.1534 2.1534 2.2851 2.2851 3.7094 3.7094 4.0045 4.0045 4.1361 4.1361 4.3457 4.3457 7.6085 7.6085 7.6988 7.6988 8.2141 8.2141 8.7447 8.7447 k = 0.1704 0.2951 0.3074 ( 7362 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3914 -37.3914 -37.3889 -37.3889 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0371 -17.0371 -16.6639 -16.6639 -16.6542 -16.6542 -3.4008 -3.4008 -3.2006 -3.2006 2.1980 2.1980 2.3548 2.3548 3.7615 3.7615 4.0348 4.0348 4.1668 4.1668 4.3455 4.3455 7.6312 7.6312 7.7322 7.7322 8.1868 8.1868 8.7126 8.7126 k = 0.1630 0.2823 0.3074 ( 7370 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3888 -37.3888 -37.1046 -37.1046 -37.1036 -37.1036 -37.1008 -37.1008 -37.0997 -37.0997 -35.7782 -35.7782 -17.0368 -17.0368 -16.6638 -16.6638 -16.6538 -16.6538 -3.4283 -3.4283 -3.2269 -3.2269 2.2427 2.2427 2.4278 2.4278 3.8085 3.8085 4.0560 4.0560 4.2027 4.2027 4.3565 4.3565 7.6553 7.6553 7.7654 7.7654 8.1626 8.1626 8.6765 8.6765 k = 0.1556 0.2694 0.3074 ( 7362 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3915 -37.3915 -37.3888 -37.3888 -37.1046 -37.1046 -37.1036 -37.1036 -37.1007 -37.1007 -37.0997 -37.0997 -35.7783 -35.7783 -17.0366 -17.0366 -16.6636 -16.6636 -16.6533 -16.6533 -3.4554 -3.4554 -3.2532 -3.2532 2.2872 2.2872 2.5035 2.5035 3.8501 3.8501 4.0709 4.0709 4.2405 4.2405 4.3800 4.3800 7.6804 7.6804 7.7975 7.7975 8.1422 8.1422 8.6385 8.6385 k = 0.1481 0.2566 0.3074 ( 7366 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3916 -37.3916 -37.3887 -37.3887 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0997 -37.0997 -35.7783 -35.7783 -17.0363 -17.0363 -16.6635 -16.6635 -16.6528 -16.6528 -3.4820 -3.4820 -3.2794 -3.2794 2.3310 2.3310 2.5809 2.5809 3.8870 3.8870 4.0809 4.0809 4.2810 4.2810 4.4135 4.4135 7.7061 7.7061 7.8267 7.8267 8.1273 8.1274 8.6005 8.6005 k = 0.1407 0.2438 0.3074 ( 7362 PWs) bands (ev): -70.4497 -70.4497 -70.4492 -70.4492 -37.3916 -37.3916 -37.3887 -37.3887 -37.1045 -37.1045 -37.1037 -37.1037 -37.1007 -37.1007 -37.0997 -37.0997 -35.7784 -35.7784 -17.0360 -17.0360 -16.6634 -16.6634 -16.6524 -16.6524 -3.5080 -3.5080 -3.3054 -3.3054 2.3735 2.3735 2.6592 2.6592 3.9205 3.9205 4.0879 4.0879 4.3259 4.3259 4.4527 4.4527 7.7315 7.7315 7.8502 7.8502 8.1210 8.1210 8.5640 8.5640 k = 0.1333 0.2309 0.3074 ( 7352 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3916 -37.3916 -37.3886 -37.3886 -37.1045 -37.1045 -37.1037 -37.1037 -37.1006 -37.1006 -37.0997 -37.0997 -35.7784 -35.7784 -17.0358 -17.0358 -16.6632 -16.6632 -16.6519 -16.6519 -3.5333 -3.5333 -3.3309 -3.3309 2.4144 2.4144 2.7373 2.7373 3.9519 3.9519 4.0947 4.0947 4.3755 4.3755 4.4942 4.4942 7.7557 7.7557 7.8644 7.8644 8.1271 8.1271 8.5303 8.5303 k = 0.1259 0.2181 0.3074 ( 7352 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3886 -37.3886 -37.1045 -37.1045 -37.1037 -37.1037 -37.1006 -37.1006 -37.0997 -37.0997 -35.7784 -35.7784 -17.0355 -17.0355 -16.6631 -16.6631 -16.6514 -16.6514 -3.5577 -3.5577 -3.3559 -3.3559 2.4532 2.4532 2.8140 2.8140 3.9825 3.9825 4.1041 4.1041 4.4286 4.4286 4.5356 4.5356 7.7774 7.7774 7.8672 7.8672 8.1483 8.1483 8.5006 8.5006 k = 0.1185 0.2053 0.3074 ( 7348 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3885 -37.3885 -37.1044 -37.1044 -37.1038 -37.1038 -37.1006 -37.1006 -37.0997 -37.0997 -35.7785 -35.7785 -17.0353 -17.0353 -16.6630 -16.6630 -16.6509 -16.6509 -3.5812 -3.5812 -3.3801 -3.3801 2.4895 2.4895 2.8877 2.8877 4.0133 4.0133 4.1189 4.1189 4.4838 4.4838 4.5757 4.5757 7.7952 7.7952 7.8598 7.8598 8.1843 8.1843 8.4754 8.4754 k = 0.1111 0.1925 0.3074 ( 7352 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3917 -37.3917 -37.3885 -37.3885 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7785 -35.7785 -17.0350 -17.0350 -16.6629 -16.6629 -16.6505 -16.6505 -3.6037 -3.6037 -3.4035 -3.4035 2.5231 2.5231 2.9571 2.9571 4.0454 4.0454 4.1405 4.1405 4.5400 4.5400 4.6140 4.6140 7.8059 7.8059 7.8468 7.8468 8.2322 8.2322 8.4549 8.4549 k = 0.1037 0.1796 0.3074 ( 7350 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7785 -35.7785 -17.0348 -17.0348 -16.6628 -16.6628 -16.6500 -16.6500 -3.6252 -3.6252 -3.4259 -3.4259 2.5538 2.5538 3.0206 3.0206 4.0803 4.0803 4.1695 4.1695 4.5958 4.5958 4.6504 4.6504 7.8023 7.8023 7.8373 7.8373 8.2896 8.2896 8.4380 8.4380 k = 0.0963 0.1668 0.3074 ( 7346 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3884 -37.3884 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7786 -35.7786 -17.0346 -17.0346 -16.6627 -16.6627 -16.6496 -16.6496 -3.6454 -3.6454 -3.4473 -3.4473 2.5814 2.5814 3.0769 3.0769 4.1200 4.1200 4.2050 4.2050 4.6500 4.6500 4.6854 4.6854 7.7821 7.7821 7.8350 7.8350 8.3541 8.3541 8.4228 8.4228 k = 0.0889 0.1540 0.3074 ( 7346 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7786 -35.7786 -17.0344 -17.0344 -16.6626 -16.6626 -16.6491 -16.6491 -3.6645 -3.6645 -3.4674 -3.4674 2.6059 2.6059 3.1250 3.1250 4.1662 4.1662 4.2457 4.2457 4.6990 4.6990 4.7220 4.7220 7.7539 7.7539 7.8321 7.8321 8.4012 8.4012 8.4279 8.4279 k = 0.0815 0.1411 0.3074 ( 7338 PWs) bands (ev): -70.4497 -70.4497 -70.4491 -70.4491 -37.3918 -37.3918 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7786 -35.7786 -17.0342 -17.0342 -16.6626 -16.6626 -16.6487 -16.6487 -3.6822 -3.6822 -3.4863 -3.4863 2.6275 2.6275 3.1647 3.1647 4.2192 4.2192 4.2902 4.2902 4.7362 4.7362 4.7666 4.7666 7.7211 7.7211 7.8262 7.8262 8.3785 8.3785 8.4892 8.4892 k = 0.0741 0.1283 0.3074 ( 7346 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3883 -37.3883 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7786 -35.7786 -17.0340 -17.0340 -16.6625 -16.6625 -16.6483 -16.6483 -3.6986 -3.6986 -3.5038 -3.5038 2.6461 2.6461 3.1961 3.1961 4.2781 4.2781 4.3376 4.3376 4.7657 4.7657 4.8150 4.8150 7.6837 7.6837 7.8179 7.8179 8.3443 8.3443 8.4306 8.4306 k = 0.0667 0.1155 0.3074 ( 7354 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7787 -35.7787 -17.0338 -17.0338 -16.6624 -16.6624 -16.6480 -16.6480 -3.7136 -3.7136 -3.5199 -3.5199 2.6621 2.6621 3.2202 3.2202 4.3398 4.3398 4.3880 4.3880 4.7924 4.7924 4.8627 4.8627 7.6412 7.6412 7.8082 7.8082 8.2966 8.2966 8.3382 8.3382 k = 0.0593 0.1026 0.3074 ( 7348 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1044 -37.1044 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7787 -35.7787 -17.0337 -17.0337 -16.6624 -16.6624 -16.6477 -16.6477 -3.7271 -3.7271 -3.5345 -3.5345 2.6757 2.6757 3.2381 3.2381 4.3987 4.3987 4.4432 4.4432 4.8173 4.8173 4.9086 4.9086 7.5924 7.5924 7.7985 7.7985 8.2267 8.2267 8.2664 8.2664 k = 0.0519 0.0898 0.3074 ( 7336 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1043 -37.1043 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7787 -35.7787 -17.0335 -17.0335 -16.6624 -16.6624 -16.6473 -16.6473 -3.7391 -3.7391 -3.5474 -3.5474 2.6870 2.6870 3.2509 3.2509 4.4493 4.4493 4.5047 4.5047 4.8410 4.8410 4.9527 4.9527 7.5371 7.5371 7.7897 7.7897 8.1496 8.1496 8.2079 8.2079 k = 0.0444 0.0770 0.3074 ( 7344 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1043 -37.1043 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7787 -35.7787 -17.0334 -17.0334 -16.6623 -16.6623 -16.6471 -16.6471 -3.7496 -3.7496 -3.5588 -3.5588 2.6963 2.6963 3.2598 3.2598 4.4914 4.4914 4.5682 4.5682 4.8632 4.8632 4.9951 4.9951 7.4760 7.4760 7.7829 7.7829 8.0826 8.0826 8.1509 8.1509 k = 0.0370 0.0642 0.3074 ( 7340 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3882 -37.3882 -37.1043 -37.1043 -37.1038 -37.1038 -37.1005 -37.1005 -37.0997 -37.0997 -35.7787 -35.7787 -17.0333 -17.0333 -16.6623 -16.6623 -16.6469 -16.6469 -3.7585 -3.7585 -3.5685 -3.5685 2.7038 2.7038 3.2658 3.2658 4.5266 4.5266 4.6282 4.6282 4.8835 4.8835 5.0357 5.0357 7.4117 7.4117 7.7789 7.7789 8.0288 8.0288 8.0957 8.0957 k = 0.0296 0.0513 0.3074 ( 7332 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0332 -17.0332 -16.6623 -16.6623 -16.6467 -16.6467 -3.7659 -3.7659 -3.5765 -3.5765 2.7096 2.7096 3.2697 3.2697 4.5552 4.5552 4.6813 4.6813 4.9009 4.9009 5.0739 5.0739 7.3486 7.3486 7.7783 7.7783 7.9877 7.9877 8.0440 8.0440 k = 0.0222 0.0385 0.3074 ( 7336 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6465 -16.6465 -3.7716 -3.7716 -3.5827 -3.5827 2.7140 2.7140 3.2722 3.2722 4.5772 4.5772 4.7250 4.7250 4.9146 4.9146 5.1082 5.1082 7.2919 7.2919 7.7812 7.7812 7.9578 7.9578 7.9981 7.9981 k = 0.0148 0.0257 0.3074 ( 7322 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0331 -17.0331 -16.6622 -16.6622 -16.6464 -16.6464 -3.7757 -3.7757 -3.5872 -3.5872 2.7170 2.7170 3.2736 3.2736 4.5926 4.5926 4.7577 4.7577 4.9241 4.9241 5.1359 5.1359 7.2468 7.2468 7.7870 7.7870 7.9374 7.9374 7.9605 7.9605 k = 0.0074 0.0128 0.3074 ( 7322 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3920 -37.3920 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.7782 -3.7782 -3.5899 -3.5899 2.7188 2.7188 3.2743 3.2743 4.6018 4.6018 4.7780 4.7780 4.9294 4.9294 5.1542 5.1542 7.2177 7.2177 7.7935 7.7935 7.9246 7.9246 7.9355 7.9355 k = 0.0000 0.0000 0.3074 ( 7320 PWs) bands (ev): -70.4498 -70.4498 -70.4491 -70.4491 -37.3919 -37.3919 -37.3881 -37.3881 -37.1043 -37.1043 -37.1038 -37.1038 -37.1004 -37.1004 -37.0997 -37.0997 -35.7788 -35.7788 -17.0330 -17.0330 -16.6622 -16.6622 -16.6463 -16.6463 -3.7790 -3.7790 -3.5908 -3.5908 2.7194 2.7194 3.2745 3.2745 4.6049 4.6049 4.7850 4.7850 4.9311 4.9311 5.1605 5.1605 7.2076 7.2076 7.7966 7.7966 7.9188 7.9188 7.9276 7.9276 k = 0.5000 0.2887 0.3074 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1300 -3.1300 -2.9378 -2.9378 1.4909 1.4909 1.5680 1.5680 3.7217 3.7217 3.9928 3.9928 4.3197 4.3197 4.6755 4.6755 6.8574 6.8574 7.1440 7.1440 7.6287 7.6287 7.9103 7.9103 k = 0.5000 0.2887 0.2928 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1302 -3.1302 -2.9377 -2.9377 1.4871 1.4871 1.5748 1.5748 3.7190 3.7190 3.9891 3.9891 4.3199 4.3199 4.6743 4.6743 6.8439 6.8439 7.1562 7.1562 7.6268 7.6268 7.9271 7.9271 k = 0.5000 0.2887 0.2781 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1309 -3.1309 -2.9374 -2.9374 1.4786 1.4786 1.5922 1.5922 3.7104 3.7104 3.9788 3.9788 4.3199 4.3199 4.6708 4.6708 6.8111 6.8111 7.1833 7.1833 7.6283 7.6283 7.9723 7.9723 k = 0.5000 0.2887 0.2635 ( 7352 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1319 -3.1319 -2.9368 -2.9368 1.4695 1.4695 1.6161 1.6161 3.6954 3.6954 3.9640 3.9640 4.3191 4.3191 4.6645 4.6645 6.7709 6.7709 7.2093 7.2093 7.6461 7.6461 8.0366 8.0366 k = 0.5000 0.2887 0.2488 ( 7368 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1333 -3.1333 -2.9361 -2.9361 1.4616 1.4616 1.6445 1.6445 3.6733 3.6733 3.9472 3.9472 4.3162 4.3162 4.6550 4.6550 6.7306 6.7306 7.2249 7.2249 7.6879 7.6879 8.1130 8.1130 k = 0.5000 0.2887 0.2342 ( 7372 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1350 -3.1350 -2.9352 -2.9352 1.4557 1.4557 1.6762 1.6762 3.6437 3.6437 3.9308 3.9308 4.3101 4.3101 4.6422 4.6422 6.6934 6.6934 7.2310 7.2310 7.7526 7.7526 8.1973 8.1973 k = 0.5000 0.2887 0.2196 ( 7376 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1370 -3.1370 -2.9342 -2.9342 1.4522 1.4522 1.7108 1.7108 3.6070 3.6070 3.9163 3.9163 4.2996 4.2996 4.6264 4.6264 6.6602 6.6602 7.2340 7.2340 7.8336 7.8336 8.2867 8.2867 k = 0.5000 0.2887 0.2049 ( 7382 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1392 -3.1392 -2.9330 -2.9330 1.4511 1.4511 1.7478 1.7478 3.5643 3.5643 3.9043 3.9043 4.2836 4.2836 4.6085 4.6085 6.6306 6.6306 7.2400 7.2400 7.9243 7.9243 8.3794 8.3794 k = 0.5000 0.2887 0.1903 ( 7374 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1415 -3.1415 -2.9319 -2.9319 1.4524 1.4524 1.7867 1.7867 3.5172 3.5172 3.8948 3.8948 4.2612 4.2612 4.5901 4.5901 6.6039 6.6039 7.2531 7.2531 8.0191 8.0191 8.4739 8.4739 k = 0.5000 0.2887 0.1757 ( 7372 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1440 -3.1440 -2.9306 -2.9306 1.4558 1.4558 1.8273 1.8273 3.4673 3.4673 3.8871 3.8871 4.2317 4.2317 4.5724 4.5724 6.5792 6.5792 7.2758 7.2758 8.1133 8.1133 8.5693 8.5693 k = 0.5000 0.2887 0.1610 ( 7370 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1465 -3.1465 -2.9294 -2.9294 1.4613 1.4613 1.8689 1.8689 3.4161 3.4161 3.8811 3.8811 4.1951 4.1951 4.5566 4.5566 6.5557 6.5557 7.3089 7.3089 8.2025 8.2025 8.6655 8.6656 k = 0.5000 0.2887 0.1464 ( 7362 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1490 -3.1490 -2.9282 -2.9282 1.4685 1.4685 1.9111 1.9111 3.3652 3.3652 3.8761 3.8761 4.1524 4.1524 4.5434 4.5434 6.5333 6.5333 7.3524 7.3524 8.2817 8.2817 8.7628 8.7628 k = 0.5000 0.2887 0.1317 ( 7368 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1035 -37.1035 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1514 -3.1514 -2.9271 -2.9271 1.4770 1.4770 1.9532 1.9532 3.3158 3.3158 3.8718 3.8718 4.1050 4.1050 4.5327 4.5327 6.5119 6.5119 7.4054 7.4054 8.3463 8.3463 8.8616 8.8616 k = 0.5000 0.2887 0.1171 ( 7370 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1035 -37.1035 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1537 -3.1537 -2.9260 -2.9260 1.4866 1.4866 1.9946 1.9946 3.2691 3.2691 3.8679 3.8679 4.0550 4.0550 4.5242 4.5242 6.4917 6.4917 7.4669 7.4669 8.3925 8.3925 8.9618 8.9618 k = 0.5000 0.2887 0.1025 ( 7372 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1035 -37.1035 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1559 -3.1559 -2.9250 -2.9250 1.4968 1.4968 2.0345 2.0345 3.2259 3.2259 3.8638 3.8638 4.0048 4.0048 4.5177 4.5177 6.4730 6.4730 7.5353 7.5353 8.4178 8.4178 9.0583 9.0583 k = 0.5000 0.2887 0.0878 ( 7352 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1578 -3.1578 -2.9241 -2.9241 1.5071 1.5071 2.0718 2.0718 3.1873 3.1873 3.8585 3.8585 3.9573 3.9573 4.5127 4.5127 6.4561 6.4561 7.6094 7.6094 8.4221 8.4221 9.1256 9.1256 k = 0.5000 0.2887 0.0732 ( 7348 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1595 -3.1595 -2.9233 -2.9233 1.5170 1.5170 2.1058 2.1058 3.1538 3.1538 3.8494 3.8494 3.9172 3.9172 4.5089 4.5089 6.4413 6.4413 7.6875 7.6875 8.4069 8.4069 9.1736 9.1736 k = 0.5000 0.2887 0.0586 ( 7344 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0996 -37.0996 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1610 -3.1610 -2.9227 -2.9227 1.5261 1.5261 2.1353 2.1353 3.1261 3.1261 3.8313 3.8313 3.8914 3.8914 4.5061 4.5061 6.4289 6.4289 7.7681 7.7681 8.3747 8.3747 9.2143 9.2143 k = 0.5000 0.2887 0.0439 ( 7344 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3895 -37.3895 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0996 -37.0996 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1621 -3.1621 -2.9222 -2.9222 1.5337 1.5337 2.1594 2.1594 3.1045 3.1045 3.8062 3.8062 3.8800 3.8800 4.5041 4.5041 6.4191 6.4191 7.8493 7.8493 8.3292 8.3292 9.2438 9.2438 k = 0.5000 0.2887 0.0293 ( 7352 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0996 -37.0996 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1630 -3.1630 -2.9219 -2.9219 1.5395 1.5395 2.1773 2.1773 3.0892 3.0892 3.7833 3.7833 3.8753 3.8753 4.5027 4.5027 6.4120 6.4120 7.9281 7.9281 8.2746 8.2746 9.2602 9.2602 k = 0.5000 0.2887 0.0146 ( 7364 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1635 -3.1635 -2.9216 -2.9216 1.5432 1.5432 2.1883 2.1883 3.0800 3.0800 3.7682 3.7682 3.8732 3.8732 4.5019 4.5019 6.4076 6.4076 7.9976 7.9976 8.2191 8.2191 9.2675 9.2679 k = 0.5000 0.2887-0.0000 ( 7356 PWs) bands (ev): -70.4495 -70.4495 -70.4493 -70.4493 -37.3909 -37.3909 -37.3896 -37.3896 -37.1047 -37.1047 -37.1034 -37.1034 -37.1011 -37.1011 -37.0997 -37.0997 -35.7779 -35.7779 -17.0394 -17.0394 -16.6670 -16.6670 -16.6562 -16.6562 -3.1636 -3.1636 -2.9216 -2.9216 1.5444 1.5444 2.1920 2.1920 3.0770 3.0770 3.7629 3.7629 3.8726 3.8726 4.5017 4.5017 6.4062 6.4062 8.0323 8.0323 8.1891 8.1891 9.2696 9.2697 k = 0.3333 0.5774-0.0000 ( 7395 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9538 -2.9538 -2.9536 -2.9536 2.0604 2.0604 2.2141 2.2141 2.2745 2.2745 3.5038 3.5038 3.5797 3.5797 3.7513 3.7513 7.3230 7.3230 8.6236 8.6236 8.6663 8.6663 8.8507 8.8507 k = 0.3333 0.5774 0.0146 ( 7377 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9538 -2.9538 -2.9536 -2.9536 2.0580 2.0580 2.2130 2.2130 2.2739 2.2739 3.5060 3.5060 3.5841 3.5841 3.7509 3.7509 7.3282 7.3282 8.6093 8.6093 8.6519 8.6519 8.8625 8.8625 k = 0.3333 0.5774 0.0293 ( 7374 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9536 -2.9536 -2.9535 -2.9535 2.0509 2.0509 2.2091 2.2091 2.2731 2.2731 3.5118 3.5118 3.5972 3.5972 3.7506 3.7506 7.3438 7.3438 8.5725 8.5725 8.6149 8.6149 8.8917 8.8917 k = 0.3333 0.5774 0.0439 ( 7368 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9534 -2.9534 -2.9532 -2.9532 2.0395 2.0395 2.2008 2.2008 2.2742 2.2742 3.5187 3.5187 3.6186 3.6186 3.7526 3.7526 7.3695 7.3695 8.5227 8.5227 8.5647 8.5647 8.9290 8.9290 k = 0.3333 0.5774 0.0586 ( 7368 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9531 -2.9531 -2.9529 -2.9529 2.0243 2.0243 2.1870 2.1870 2.2787 2.2787 3.5225 3.5225 3.6476 3.6476 3.7604 3.7604 7.4049 7.4049 8.4653 8.4653 8.5064 8.5064 8.9538 8.9538 k = 0.3333 0.5774 0.0732 ( 7362 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9527 -2.9527 -2.9525 -2.9525 2.0060 2.0060 2.1684 2.1684 2.2871 2.2871 3.5189 3.5189 3.6834 3.6834 3.7777 3.7777 7.4496 7.4496 8.4027 8.4027 8.4427 8.4427 8.9592 8.9592 k = 0.3333 0.5774 0.0878 ( 7374 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9522 -2.9522 -2.9520 -2.9520 1.9852 1.9852 2.1461 2.1461 2.2991 2.2991 3.5058 3.5058 3.7251 3.7251 3.8061 3.8061 7.5029 7.5029 8.3364 8.3364 8.3748 8.3748 8.9647 8.9647 k = 0.3333 0.5774 0.1025 ( 7374 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9517 -2.9517 -2.9514 -2.9514 1.9626 1.9626 2.1213 2.1213 2.3141 2.3141 3.4834 3.4834 3.7717 3.7717 3.8446 3.8446 7.5641 7.5641 8.2672 8.2672 8.3038 8.3038 8.9705 8.9705 k = 0.3333 0.5774 0.1171 ( 7371 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9511 -2.9511 -2.9509 -2.9509 1.9390 1.9390 2.0952 2.0952 2.3320 2.3320 3.4534 3.4534 3.8222 3.8222 3.8910 3.8910 7.6324 7.6324 8.1959 8.1959 8.2305 8.2305 8.9762 8.9762 k = 0.3333 0.5774 0.1317 ( 7368 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9505 -2.9505 -2.9502 -2.9502 1.9150 1.9150 2.0685 2.0685 2.3524 2.3524 3.4177 3.4177 3.8755 3.8755 3.9429 3.9429 7.7070 7.7070 8.1233 8.1233 8.1556 8.1556 8.9815 8.9816 k = 0.3333 0.5774 0.1464 ( 7359 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9498 -2.9498 -2.9496 -2.9496 1.8912 1.8912 2.0421 2.0421 2.3753 2.3753 3.3777 3.3777 3.9306 3.9306 3.9983 3.9983 7.7869 7.7869 8.0502 8.0502 8.0802 8.0802 8.9861 8.9861 k = 0.3333 0.5774 0.1610 ( 7356 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9492 -2.9492 -2.9489 -2.9489 1.8680 1.8680 2.0164 2.0164 2.4004 2.4004 3.3347 3.3347 3.9863 3.9863 4.0556 4.0556 7.8702 7.8702 7.9776 7.9776 8.0062 8.0062 8.9892 8.9892 k = 0.3333 0.5774 0.1757 ( 7365 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9485 -2.9485 -2.9483 -2.9483 1.8459 1.8459 1.9921 1.9921 2.4275 2.4275 3.2894 3.2894 4.0418 4.0418 4.1131 4.1131 7.9064 7.9064 7.9201 7.9201 7.9705 7.9705 8.9902 8.9902 k = 0.3333 0.5774 0.1903 ( 7365 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9479 -2.9479 -2.9476 -2.9476 1.8253 1.8253 1.9694 1.9694 2.4565 2.4565 3.2429 3.2429 4.0957 4.0957 4.1696 4.1696 7.8379 7.8379 7.8556 7.8556 8.0543 8.0543 8.9883 8.9883 k = 0.3333 0.5774 0.2049 ( 7377 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9473 -2.9473 -2.9470 -2.9470 1.8064 1.8064 1.9488 1.9488 2.4871 2.4871 3.1959 3.1959 4.1471 4.1471 4.2236 4.2236 7.7731 7.7731 7.7886 7.7886 8.1458 8.1458 8.9827 8.9827 k = 0.3333 0.5774 0.2196 ( 7392 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9468 -2.9468 -2.9465 -2.9465 1.7896 1.7896 1.9304 1.9304 2.5189 2.5189 3.1491 3.1491 4.1947 4.1947 4.2740 4.2740 7.7135 7.7135 7.7263 7.7263 8.2381 8.2381 8.9722 8.9722 k = 0.3333 0.5774 0.2342 ( 7386 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9463 -2.9463 -2.9460 -2.9460 1.7750 1.7750 1.9145 1.9145 2.5513 2.5513 3.1034 3.1034 4.2375 4.2375 4.3194 4.3194 7.6603 7.6603 7.6704 7.6704 8.3292 8.3292 8.9561 8.9561 k = 0.3333 0.5774 0.2488 ( 7377 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9459 -2.9459 -2.9456 -2.9456 1.7628 1.7628 1.9013 1.9013 2.5835 2.5835 3.0601 3.0601 4.2744 4.2744 4.3586 4.3586 7.6146 7.6146 7.6223 7.6223 8.4177 8.4177 8.9333 8.9333 k = 0.3333 0.5774 0.2635 ( 7377 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9456 -2.9456 -2.9452 -2.9452 1.7532 1.7532 1.8909 1.8909 2.6141 2.6141 3.0206 3.0206 4.3043 4.3043 4.3904 4.3904 7.5777 7.5777 7.5834 7.5834 8.5015 8.5015 8.9037 8.9037 k = 0.3333 0.5774 0.2781 ( 7353 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1018 -37.1018 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9453 -2.9453 -2.9450 -2.9450 1.7463 1.7463 1.8834 1.8834 2.6406 2.6406 2.9877 2.9877 4.3263 4.3263 4.4140 4.4140 7.5506 7.5506 7.5548 7.5548 8.5777 8.5777 8.8679 8.8679 k = 0.3333 0.5774 0.2928 ( 7365 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9452 -2.9452 -2.9449 -2.9449 1.7421 1.7421 1.8789 1.8789 2.6595 2.6595 2.9649 2.9649 4.3398 4.3398 4.4284 4.4284 7.5340 7.5340 7.5372 7.5372 8.6400 8.6400 8.8305 8.8305 k = 0.3333 0.5774 0.3074 ( 7374 PWs) bands (ev): -70.4494 -70.4494 -70.4494 -70.4494 -37.3903 -37.3903 -37.3902 -37.3902 -37.1050 -37.1050 -37.1026 -37.1026 -37.1019 -37.1019 -37.0995 -37.0995 -35.7778 -35.7778 -17.0401 -17.0401 -16.6637 -16.6637 -16.6614 -16.6614 -2.9451 -2.9451 -2.9448 -2.9448 1.7407 1.7407 1.8774 1.8774 2.6665 2.6665 2.9566 2.9566 4.3444 4.3444 4.4333 4.4333 7.5284 7.5284 7.5313 7.5313 8.6686 8.6686 8.8103 8.8103 Writing output data file CaxMgSbx2.save init_run : 0.45s CPU 0.77s WALL ( 1 calls) electrons : 234.04s CPU 238.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 234.04s CPU 238.02s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 286 calls) cegterg : 222.02s CPU 224.63s WALL ( 737 calls) Called by sum_band: Called by *egterg: h_psi : 119.72s CPU 121.64s WALL ( 12938 calls) s_psi : 7.14s CPU 6.91s WALL ( 12938 calls) g_psi : 0.48s CPU 0.49s WALL ( 11915 calls) cdiaghg : 71.48s CPU 72.31s WALL ( 12201 calls) cegterg:over : 10.58s CPU 10.62s WALL ( 11915 calls) cegterg:upda : 11.64s CPU 12.00s WALL ( 11915 calls) cegterg:last : 4.73s CPU 4.87s WALL ( 1595 calls) cdiaghg:chol : 4.08s CPU 4.18s WALL ( 12201 calls) cdiaghg:inve : 2.68s CPU 2.60s WALL ( 12201 calls) cdiaghg:para : 3.77s CPU 4.11s WALL ( 24402 calls) Called by h_psi: h_psi:vloc : 103.80s CPU 105.39s WALL ( 12938 calls) h_psi:vnl : 15.38s CPU 15.75s WALL ( 12938 calls) add_vuspsi : 7.56s CPU 7.78s WALL ( 12938 calls) General routines calbec : 7.77s CPU 7.93s WALL ( 12938 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 95.33s CPU 96.99s WALL ( 897244 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.33s WALL ( 572 calls) Parallel routines fft_scatter : 31.63s CPU 32.35s WALL ( 897267 calls) PWSCF : 4m13.44s CPU 4m35.65s WALL This run was terminated on: 16:53: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=