Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:42:16 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: ./SrxMgSbx2.save/ 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 58 35 10 3592 1709 260 Max 59 36 11 3602 1734 267 Sum 2095 1285 367 129471 61945 9417 bravais-lattice index = 14 lattice parameter (alat) = 8.8817 a.u. unit-cell volume = 1010.8451 (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)= 8.881712 celldm(2)= 1.000000 celldm(3)= 1.665957 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 1.665957 ) 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 0.600255 ) PseudoPot. # 1 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. # 2 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 PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Mg 10.00 24.30500 Mg( 1.00) Sr 10.00 87.62000 Sr( 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 0.0142918), wk = 0.0034965 k( 113) = ( 0.0000000 0.0000000 0.0285836), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.0428754), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0571672), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.0714590), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.0857508), wk = 0.0034965 k( 118) = ( 0.0000000 0.0000000 0.1000426), wk = 0.0034965 k( 119) = ( 0.0000000 0.0000000 0.1143344), wk = 0.0034965 k( 120) = ( 0.0000000 0.0000000 0.1286262), wk = 0.0034965 k( 121) = ( 0.0000000 0.0000000 0.1429180), wk = 0.0034965 k( 122) = ( 0.0000000 0.0000000 0.1572098), wk = 0.0034965 k( 123) = ( 0.0000000 0.0000000 0.1715016), wk = 0.0034965 k( 124) = ( 0.0000000 0.0000000 0.1857933), wk = 0.0034965 k( 125) = ( 0.0000000 0.0000000 0.2000851), wk = 0.0034965 k( 126) = ( 0.0000000 0.0000000 0.2143769), wk = 0.0034965 k( 127) = ( 0.0000000 0.0000000 0.2286687), wk = 0.0034965 k( 128) = ( 0.0000000 0.0000000 0.2429605), wk = 0.0034965 k( 129) = ( 0.0000000 0.0000000 0.2572523), wk = 0.0034965 k( 130) = ( 0.0000000 0.0000000 0.2715441), wk = 0.0034965 k( 131) = ( 0.0000000 0.0000000 0.2858359), wk = 0.0034965 k( 132) = ( 0.0000000 0.0000000 0.3001277), wk = 0.0034965 k( 133) = ( 0.0000000 0.0000000 0.3001277), wk = 0.0034965 k( 134) = ( 0.0128205 0.0074019 0.3001277), wk = 0.0034965 k( 135) = ( 0.0256410 0.0148039 0.3001277), wk = 0.0034965 k( 136) = ( 0.0384615 0.0222058 0.3001277), wk = 0.0034965 k( 137) = ( 0.0512821 0.0296077 0.3001277), wk = 0.0034965 k( 138) = ( 0.0641026 0.0370096 0.3001277), wk = 0.0034965 k( 139) = ( 0.0769231 0.0444116 0.3001277), wk = 0.0034965 k( 140) = ( 0.0897436 0.0518135 0.3001277), wk = 0.0034965 k( 141) = ( 0.1025641 0.0592154 0.3001277), wk = 0.0034965 k( 142) = ( 0.1153846 0.0666173 0.3001277), wk = 0.0034965 k( 143) = ( 0.1282051 0.0740193 0.3001277), wk = 0.0034965 k( 144) = ( 0.1410256 0.0814212 0.3001277), wk = 0.0034965 k( 145) = ( 0.1538461 0.0888231 0.3001277), wk = 0.0034965 k( 146) = ( 0.1666667 0.0962250 0.3001277), wk = 0.0034965 k( 147) = ( 0.1794872 0.1036270 0.3001277), wk = 0.0034965 k( 148) = ( 0.1923077 0.1110289 0.3001277), wk = 0.0034965 k( 149) = ( 0.2051282 0.1184308 0.3001277), wk = 0.0034965 k( 150) = ( 0.2179487 0.1258328 0.3001277), wk = 0.0034965 k( 151) = ( 0.2307692 0.1332347 0.3001277), wk = 0.0034965 k( 152) = ( 0.2435897 0.1406366 0.3001277), wk = 0.0034965 k( 153) = ( 0.2564103 0.1480385 0.3001277), wk = 0.0034965 k( 154) = ( 0.2692308 0.1554405 0.3001277), wk = 0.0034965 k( 155) = ( 0.2820513 0.1628424 0.3001277), wk = 0.0034965 k( 156) = ( 0.2948718 0.1702443 0.3001277), wk = 0.0034965 k( 157) = ( 0.3076923 0.1776462 0.3001277), wk = 0.0034965 k( 158) = ( 0.3205128 0.1850482 0.3001277), wk = 0.0034965 k( 159) = ( 0.3333333 0.1924501 0.3001277), wk = 0.0034965 k( 160) = ( 0.3461538 0.1998520 0.3001277), wk = 0.0034965 k( 161) = ( 0.3589744 0.2072539 0.3001277), wk = 0.0034965 k( 162) = ( 0.3717949 0.2146559 0.3001277), wk = 0.0034965 k( 163) = ( 0.3846154 0.2220578 0.3001277), wk = 0.0034965 k( 164) = ( 0.3974359 0.2294597 0.3001277), wk = 0.0034965 k( 165) = ( 0.4102564 0.2368616 0.3001277), wk = 0.0034965 k( 166) = ( 0.4230769 0.2442636 0.3001277), wk = 0.0034965 k( 167) = ( 0.4358974 0.2516655 0.3001277), wk = 0.0034965 k( 168) = ( 0.4487179 0.2590674 0.3001277), wk = 0.0034965 k( 169) = ( 0.4615385 0.2664694 0.3001277), wk = 0.0034965 k( 170) = ( 0.4743590 0.2738713 0.3001277), wk = 0.0034965 k( 171) = ( 0.4871795 0.2812732 0.3001277), wk = 0.0034965 k( 172) = ( 0.5000000 0.2886751 0.3001277), wk = 0.0034965 k( 173) = ( 0.5000000 0.2886751 0.3001277), wk = 0.0034965 k( 174) = ( 0.4927536 0.3012262 0.3001277), wk = 0.0034965 k( 175) = ( 0.4855073 0.3137773 0.3001277), wk = 0.0034965 k( 176) = ( 0.4782609 0.3263284 0.3001277), wk = 0.0034965 k( 177) = ( 0.4710145 0.3388795 0.3001277), wk = 0.0034965 k( 178) = ( 0.4637681 0.3514306 0.3001277), wk = 0.0034965 k( 179) = ( 0.4565217 0.3639817 0.3001277), wk = 0.0034965 k( 180) = ( 0.4492754 0.3765328 0.3001277), wk = 0.0034965 k( 181) = ( 0.4420290 0.3890839 0.3001277), wk = 0.0034965 k( 182) = ( 0.4347826 0.4016350 0.3001277), wk = 0.0034965 k( 183) = ( 0.4275362 0.4141861 0.3001277), wk = 0.0034965 k( 184) = ( 0.4202899 0.4267372 0.3001277), wk = 0.0034965 k( 185) = ( 0.4130435 0.4392882 0.3001277), wk = 0.0034965 k( 186) = ( 0.4057971 0.4518393 0.3001277), wk = 0.0034965 k( 187) = ( 0.3985507 0.4643904 0.3001277), wk = 0.0034965 k( 188) = ( 0.3913044 0.4769415 0.3001277), wk = 0.0034965 k( 189) = ( 0.3840580 0.4894926 0.3001277), wk = 0.0034965 k( 190) = ( 0.3768116 0.5020437 0.3001277), wk = 0.0034965 k( 191) = ( 0.3695652 0.5145948 0.3001277), wk = 0.0034965 k( 192) = ( 0.3623188 0.5271459 0.3001277), wk = 0.0034965 k( 193) = ( 0.3550725 0.5396970 0.3001277), wk = 0.0034965 k( 194) = ( 0.3478261 0.5522481 0.3001277), wk = 0.0034965 k( 195) = ( 0.3405797 0.5647992 0.3001277), wk = 0.0034965 k( 196) = ( 0.3333333 0.5773503 0.3001277), wk = 0.0034965 k( 197) = ( 0.3333333 0.5773503 0.3001277), wk = 0.0034965 k( 198) = ( 0.3259259 0.5645203 0.3001277), wk = 0.0034965 k( 199) = ( 0.3185185 0.5516903 0.3001277), wk = 0.0034965 k( 200) = ( 0.3111111 0.5388602 0.3001277), wk = 0.0034965 k( 201) = ( 0.3037037 0.5260302 0.3001277), wk = 0.0034965 k( 202) = ( 0.2962963 0.5132002 0.3001277), wk = 0.0034965 k( 203) = ( 0.2888889 0.5003702 0.3001277), wk = 0.0034965 k( 204) = ( 0.2814815 0.4875402 0.3001277), wk = 0.0034965 k( 205) = ( 0.2740741 0.4747102 0.3001277), wk = 0.0034965 k( 206) = ( 0.2666667 0.4618802 0.3001277), wk = 0.0034965 k( 207) = ( 0.2592593 0.4490502 0.3001277), wk = 0.0034965 k( 208) = ( 0.2518518 0.4362202 0.3001277), wk = 0.0034965 k( 209) = ( 0.2444444 0.4233902 0.3001277), wk = 0.0034965 k( 210) = ( 0.2370370 0.4105602 0.3001277), wk = 0.0034965 k( 211) = ( 0.2296296 0.3977302 0.3001277), wk = 0.0034965 k( 212) = ( 0.2222222 0.3849002 0.3001277), wk = 0.0034965 k( 213) = ( 0.2148148 0.3720702 0.3001277), wk = 0.0034965 k( 214) = ( 0.2074074 0.3592402 0.3001277), wk = 0.0034965 k( 215) = ( 0.2000000 0.3464102 0.3001277), wk = 0.0034965 k( 216) = ( 0.1925926 0.3335802 0.3001277), wk = 0.0034965 k( 217) = ( 0.1851852 0.3207502 0.3001277), wk = 0.0034965 k( 218) = ( 0.1777778 0.3079201 0.3001277), wk = 0.0034965 k( 219) = ( 0.1703704 0.2950901 0.3001277), wk = 0.0034965 k( 220) = ( 0.1629630 0.2822601 0.3001277), wk = 0.0034965 k( 221) = ( 0.1555556 0.2694301 0.3001277), wk = 0.0034965 k( 222) = ( 0.1481482 0.2566001 0.3001277), wk = 0.0034965 k( 223) = ( 0.1407407 0.2437701 0.3001277), wk = 0.0034965 k( 224) = ( 0.1333333 0.2309401 0.3001277), wk = 0.0034965 k( 225) = ( 0.1259259 0.2181101 0.3001277), wk = 0.0034965 k( 226) = ( 0.1185185 0.2052801 0.3001277), wk = 0.0034965 k( 227) = ( 0.1111111 0.1924501 0.3001277), wk = 0.0034965 k( 228) = ( 0.1037037 0.1796201 0.3001277), wk = 0.0034965 k( 229) = ( 0.0962963 0.1667901 0.3001277), wk = 0.0034965 k( 230) = ( 0.0888889 0.1539601 0.3001277), wk = 0.0034965 k( 231) = ( 0.0814815 0.1411301 0.3001277), wk = 0.0034965 k( 232) = ( 0.0740741 0.1283001 0.3001277), wk = 0.0034965 k( 233) = ( 0.0666667 0.1154701 0.3001277), wk = 0.0034965 k( 234) = ( 0.0592593 0.1026400 0.3001277), wk = 0.0034965 k( 235) = ( 0.0518518 0.0898100 0.3001277), wk = 0.0034965 k( 236) = ( 0.0444444 0.0769800 0.3001277), wk = 0.0034965 k( 237) = ( 0.0370370 0.0641500 0.3001277), wk = 0.0034965 k( 238) = ( 0.0296296 0.0513200 0.3001277), wk = 0.0034965 k( 239) = ( 0.0222222 0.0384900 0.3001277), wk = 0.0034965 k( 240) = ( 0.0148148 0.0256600 0.3001277), wk = 0.0034965 k( 241) = ( 0.0074074 0.0128300 0.3001277), wk = 0.0034965 k( 242) = ( 0.0000000 0.0000000 0.3001277), wk = 0.0034965 k( 243) = ( 0.5000000 0.2886751 0.3001277), wk = 0.0034965 k( 244) = ( 0.5000000 0.2886751 0.2858359), wk = 0.0034965 k( 245) = ( 0.5000000 0.2886751 0.2715441), wk = 0.0034965 k( 246) = ( 0.5000000 0.2886751 0.2572523), wk = 0.0034965 k( 247) = ( 0.5000000 0.2886751 0.2429605), wk = 0.0034965 k( 248) = ( 0.5000000 0.2886751 0.2286687), wk = 0.0034965 k( 249) = ( 0.5000000 0.2886751 0.2143769), wk = 0.0034965 k( 250) = ( 0.5000000 0.2886751 0.2000851), wk = 0.0034965 k( 251) = ( 0.5000000 0.2886751 0.1857933), wk = 0.0034965 k( 252) = ( 0.5000000 0.2886751 0.1715016), wk = 0.0034965 k( 253) = ( 0.5000000 0.2886751 0.1572098), wk = 0.0034965 k( 254) = ( 0.5000000 0.2886751 0.1429180), wk = 0.0034965 k( 255) = ( 0.5000000 0.2886751 0.1286262), wk = 0.0034965 k( 256) = ( 0.5000000 0.2886751 0.1143344), wk = 0.0034965 k( 257) = ( 0.5000000 0.2886751 0.1000426), wk = 0.0034965 k( 258) = ( 0.5000000 0.2886751 0.0857508), wk = 0.0034965 k( 259) = ( 0.5000000 0.2886751 0.0714590), wk = 0.0034965 k( 260) = ( 0.5000000 0.2886751 0.0571672), wk = 0.0034965 k( 261) = ( 0.5000000 0.2886751 0.0428754), wk = 0.0034965 k( 262) = ( 0.5000000 0.2886751 0.0285836), wk = 0.0034965 k( 263) = ( 0.5000000 0.2886751 0.0142918), 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 0.0142918), wk = 0.0034965 k( 267) = ( 0.3333333 0.5773503 0.0285836), wk = 0.0034965 k( 268) = ( 0.3333333 0.5773503 0.0428754), wk = 0.0034965 k( 269) = ( 0.3333333 0.5773503 0.0571672), wk = 0.0034965 k( 270) = ( 0.3333333 0.5773503 0.0714590), wk = 0.0034965 k( 271) = ( 0.3333333 0.5773503 0.0857508), wk = 0.0034965 k( 272) = ( 0.3333333 0.5773503 0.1000426), wk = 0.0034965 k( 273) = ( 0.3333333 0.5773503 0.1143344), wk = 0.0034965 k( 274) = ( 0.3333333 0.5773503 0.1286262), wk = 0.0034965 k( 275) = ( 0.3333333 0.5773503 0.1429180), wk = 0.0034965 k( 276) = ( 0.3333333 0.5773503 0.1572098), wk = 0.0034965 k( 277) = ( 0.3333333 0.5773503 0.1715016), wk = 0.0034965 k( 278) = ( 0.3333333 0.5773503 0.1857933), wk = 0.0034965 k( 279) = ( 0.3333333 0.5773503 0.2000851), wk = 0.0034965 k( 280) = ( 0.3333333 0.5773503 0.2143769), wk = 0.0034965 k( 281) = ( 0.3333333 0.5773503 0.2286687), wk = 0.0034965 k( 282) = ( 0.3333333 0.5773503 0.2429605), wk = 0.0034965 k( 283) = ( 0.3333333 0.5773503 0.2572523), wk = 0.0034965 k( 284) = ( 0.3333333 0.5773503 0.2715441), wk = 0.0034965 k( 285) = ( 0.3333333 0.5773503 0.2858359), wk = 0.0034965 k( 286) = ( 0.3333333 0.5773503 0.3001277), 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 0.4523809), 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 0.4523810), 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: 129471 G-vectors FFT dimensions: ( 60, 60, 96) Smooth grid: 61945 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 464, 48) NL pseudopotentials 0.46 Mb ( 232, 130) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3597) G-vector shells 0.01 Mb ( 1730) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.36 Mb ( 464, 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 : ./SrxMgSbx2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.1 secs Computing kpt #: 8 total cpu time spent up to now is 8.8 secs Computing kpt #: 9 total cpu time spent up to now is 9.6 secs Computing kpt #: 10 total cpu time spent up to now is 10.3 secs Computing kpt #: 11 total cpu time spent up to now is 11.0 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.1 secs Computing kpt #: 15 total cpu time spent up to now is 13.7 secs Computing kpt #: 16 total cpu time spent up to now is 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.2 secs Computing kpt #: 18 total cpu time spent up to now is 15.9 secs Computing kpt #: 19 total cpu time spent up to now is 16.6 secs Computing kpt #: 20 total cpu time spent up to now is 17.4 secs Computing kpt #: 21 total cpu time spent up to now is 18.0 secs Computing kpt #: 22 total cpu time spent up to now is 18.7 secs Computing kpt #: 23 total cpu time spent up to now is 19.4 secs Computing kpt #: 24 total cpu time spent up to now is 20.1 secs Computing kpt #: 25 total cpu time spent up to now is 20.7 secs Computing kpt #: 26 total cpu time spent up to now is 21.4 secs Computing kpt #: 27 total cpu time spent up to now is 22.0 secs Computing kpt #: 28 total cpu time spent up to now is 22.7 secs Computing kpt #: 29 total cpu time spent up to now is 23.3 secs Computing kpt #: 30 total cpu time spent up to now is 24.0 secs Computing kpt #: 31 total cpu time spent up to now is 24.6 secs Computing kpt #: 32 total cpu time spent up to now is 25.3 secs Computing kpt #: 33 total cpu time spent up to now is 26.0 secs Computing kpt #: 34 total cpu time spent up to now is 26.6 secs Computing kpt #: 35 total cpu time spent up to now is 27.3 secs Computing kpt #: 36 total cpu time spent up to now is 28.0 secs Computing kpt #: 37 total cpu time spent up to now is 28.7 secs Computing kpt #: 38 total cpu time spent up to now is 29.4 secs Computing kpt #: 39 total cpu time spent up to now is 30.1 secs Computing kpt #: 40 total cpu time spent up to now is 30.9 secs Computing kpt #: 41 total cpu time spent up to now is 31.6 secs Computing kpt #: 42 total cpu time spent up to now is 32.3 secs Computing kpt #: 43 total cpu time spent up to now is 32.9 secs Computing kpt #: 44 total cpu time spent up to now is 33.5 secs Computing kpt #: 45 total cpu time spent up to now is 34.1 secs Computing kpt #: 46 total cpu time spent up to now is 34.8 secs Computing kpt #: 47 total cpu time spent up to now is 35.4 secs Computing kpt #: 48 total cpu time spent up to now is 36.0 secs Computing kpt #: 49 total cpu time spent up to now is 36.6 secs Computing kpt #: 50 total cpu time spent up to now is 37.2 secs Computing kpt #: 51 total cpu time spent up to now is 37.8 secs Computing kpt #: 52 total cpu time spent up to now is 38.4 secs Computing kpt #: 53 total cpu time spent up to now is 39.0 secs Computing kpt #: 54 total cpu time spent up to now is 39.6 secs Computing kpt #: 55 total cpu time spent up to now is 40.2 secs Computing kpt #: 56 total cpu time spent up to now is 40.8 secs Computing kpt #: 57 total cpu time spent up to now is 41.4 secs Computing kpt #: 58 total cpu time spent up to now is 42.0 secs Computing kpt #: 59 total cpu time spent up to now is 42.7 secs Computing kpt #: 60 total cpu time spent up to now is 43.3 secs Computing kpt #: 61 total cpu time spent up to now is 43.9 secs Computing kpt #: 62 total cpu time spent up to now is 44.7 secs Computing kpt #: 63 total cpu time spent up to now is 45.4 secs Computing kpt #: 64 total cpu time spent up to now is 46.1 secs Computing kpt #: 65 total cpu time spent up to now is 46.8 secs Computing kpt #: 66 total cpu time spent up to now is 47.6 secs Computing kpt #: 67 total cpu time spent up to now is 48.2 secs Computing kpt #: 68 total cpu time spent up to now is 48.9 secs Computing kpt #: 69 total cpu time spent up to now is 49.5 secs Computing kpt #: 70 total cpu time spent up to now is 50.1 secs Computing kpt #: 71 total cpu time spent up to now is 50.8 secs Computing kpt #: 72 total cpu time spent up to now is 51.4 secs Computing kpt #: 73 total cpu time spent up to now is 52.1 secs Computing kpt #: 74 total cpu time spent up to now is 52.7 secs Computing kpt #: 75 total cpu time spent up to now is 53.4 secs Computing kpt #: 76 total cpu time spent up to now is 54.1 secs Computing kpt #: 77 total cpu time spent up to now is 54.7 secs Computing kpt #: 78 total cpu time spent up to now is 55.3 secs Computing kpt #: 79 total cpu time spent up to now is 55.9 secs Computing kpt #: 80 total cpu time spent up to now is 56.6 secs Computing kpt #: 81 total cpu time spent up to now is 57.2 secs Computing kpt #: 82 total cpu time spent up to now is 57.8 secs Computing kpt #: 83 total cpu time spent up to now is 58.4 secs Computing kpt #: 84 total cpu time spent up to now is 59.0 secs Computing kpt #: 85 total cpu time spent up to now is 59.7 secs Computing kpt #: 86 total cpu time spent up to now is 60.3 secs Computing kpt #: 87 total cpu time spent up to now is 60.9 secs Computing kpt #: 88 total cpu time spent up to now is 61.6 secs Computing kpt #: 89 total cpu time spent up to now is 62.2 secs Computing kpt #: 90 total cpu time spent up to now is 62.9 secs Computing kpt #: 91 total cpu time spent up to now is 63.6 secs Computing kpt #: 92 total cpu time spent up to now is 64.3 secs Computing kpt #: 93 total cpu time spent up to now is 65.1 secs Computing kpt #: 94 total cpu time spent up to now is 65.7 secs Computing kpt #: 95 total cpu time spent up to now is 66.4 secs Computing kpt #: 96 total cpu time spent up to now is 67.2 secs Computing kpt #: 97 total cpu time spent up to now is 68.0 secs Computing kpt #: 98 total cpu time spent up to now is 68.7 secs Computing kpt #: 99 total cpu time spent up to now is 69.4 secs Computing kpt #: 100 total cpu time spent up to now is 70.1 secs Computing kpt #: 101 total cpu time spent up to now is 70.7 secs Computing kpt #: 102 total cpu time spent up to now is 71.3 secs Computing kpt #: 103 total cpu time spent up to now is 71.9 secs Computing kpt #: 104 total cpu time spent up to now is 72.6 secs Computing kpt #: 105 total cpu time spent up to now is 73.2 secs Computing kpt #: 106 total cpu time spent up to now is 73.8 secs Computing kpt #: 107 total cpu time spent up to now is 74.6 secs Computing kpt #: 108 total cpu time spent up to now is 75.3 secs Computing kpt #: 109 total cpu time spent up to now is 76.3 secs Computing kpt #: 110 total cpu time spent up to now is 77.0 secs Computing kpt #: 111 total cpu time spent up to now is 77.8 secs Computing kpt #: 112 total cpu time spent up to now is 79.0 secs Computing kpt #: 113 total cpu time spent up to now is 79.7 secs Computing kpt #: 114 total cpu time spent up to now is 80.3 secs Computing kpt #: 115 total cpu time spent up to now is 81.0 secs Computing kpt #: 116 total cpu time spent up to now is 81.7 secs Computing kpt #: 117 total cpu time spent up to now is 82.5 secs Computing kpt #: 118 total cpu time spent up to now is 83.3 secs Computing kpt #: 119 total cpu time spent up to now is 84.0 secs Computing kpt #: 120 total cpu time spent up to now is 84.8 secs Computing kpt #: 121 total cpu time spent up to now is 85.4 secs Computing kpt #: 122 total cpu time spent up to now is 86.0 secs Computing kpt #: 123 total cpu time spent up to now is 86.6 secs Computing kpt #: 124 total cpu time spent up to now is 87.3 secs Computing kpt #: 125 total cpu time spent up to now is 87.9 secs Computing kpt #: 126 total cpu time spent up to now is 88.5 secs Computing kpt #: 127 total cpu time spent up to now is 89.1 secs Computing kpt #: 128 total cpu time spent up to now is 89.8 secs Computing kpt #: 129 total cpu time spent up to now is 90.4 secs Computing kpt #: 130 total cpu time spent up to now is 91.0 secs Computing kpt #: 131 total cpu time spent up to now is 91.6 secs Computing kpt #: 132 total cpu time spent up to now is 92.3 secs Computing kpt #: 133 total cpu time spent up to now is 93.1 secs Computing kpt #: 134 total cpu time spent up to now is 93.7 secs Computing kpt #: 135 total cpu time spent up to now is 94.3 secs Computing kpt #: 136 total cpu time spent up to now is 94.9 secs Computing kpt #: 137 total cpu time spent up to now is 95.6 secs Computing kpt #: 138 total cpu time spent up to now is 96.2 secs Computing kpt #: 139 total cpu time spent up to now is 96.8 secs Computing kpt #: 140 total cpu time spent up to now is 97.5 secs Computing kpt #: 141 total cpu time spent up to now is 98.1 secs Computing kpt #: 142 total cpu time spent up to now is 98.7 secs Computing kpt #: 143 total cpu time spent up to now is 99.4 secs Computing kpt #: 144 total cpu time spent up to now is 100.1 secs Computing kpt #: 145 total cpu time spent up to now is 100.8 secs Computing kpt #: 146 total cpu time spent up to now is 101.6 secs Computing kpt #: 147 total cpu time spent up to now is 102.3 secs Computing kpt #: 148 total cpu time spent up to now is 102.9 secs Computing kpt #: 149 total cpu time spent up to now is 103.6 secs Computing kpt #: 150 total cpu time spent up to now is 104.2 secs Computing kpt #: 151 total cpu time spent up to now is 104.8 secs Computing kpt #: 152 total cpu time spent up to now is 105.4 secs Computing kpt #: 153 total cpu time spent up to now is 106.0 secs Computing kpt #: 154 total cpu time spent up to now is 106.6 secs Computing kpt #: 155 total cpu time spent up to now is 107.2 secs Computing kpt #: 156 total cpu time spent up to now is 107.8 secs Computing kpt #: 157 total cpu time spent up to now is 108.3 secs Computing kpt #: 158 total cpu time spent up to now is 108.9 secs Computing kpt #: 159 total cpu time spent up to now is 109.5 secs Computing kpt #: 160 total cpu time spent up to now is 110.1 secs Computing kpt #: 161 total cpu time spent up to now is 110.6 secs Computing kpt #: 162 total cpu time spent up to now is 111.2 secs Computing kpt #: 163 total cpu time spent up to now is 111.7 secs Computing kpt #: 164 total cpu time spent up to now is 112.3 secs Computing kpt #: 165 total cpu time spent up to now is 112.8 secs Computing kpt #: 166 total cpu time spent up to now is 113.4 secs Computing kpt #: 167 total cpu time spent up to now is 113.9 secs Computing kpt #: 168 total cpu time spent up to now is 114.5 secs Computing kpt #: 169 total cpu time spent up to now is 115.0 secs Computing kpt #: 170 total cpu time spent up to now is 115.5 secs Computing kpt #: 171 total cpu time spent up to now is 116.1 secs Computing kpt #: 172 total cpu time spent up to now is 116.6 secs Computing kpt #: 173 total cpu time spent up to now is 117.2 secs Computing kpt #: 174 total cpu time spent up to now is 117.7 secs Computing kpt #: 175 total cpu time spent up to now is 118.3 secs Computing kpt #: 176 total cpu time spent up to now is 118.8 secs Computing kpt #: 177 total cpu time spent up to now is 119.4 secs Computing kpt #: 178 total cpu time spent up to now is 119.9 secs Computing kpt #: 179 total cpu time spent up to now is 120.5 secs Computing kpt #: 180 total cpu time spent up to now is 121.1 secs Computing kpt #: 181 total cpu time spent up to now is 121.6 secs Computing kpt #: 182 total cpu time spent up to now is 122.2 secs Computing kpt #: 183 total cpu time spent up to now is 122.8 secs Computing kpt #: 184 total cpu time spent up to now is 123.4 secs Computing kpt #: 185 total cpu time spent up to now is 124.0 secs Computing kpt #: 186 total cpu time spent up to now is 124.6 secs Computing kpt #: 187 total cpu time spent up to now is 125.2 secs Computing kpt #: 188 total cpu time spent up to now is 125.8 secs Computing kpt #: 189 total cpu time spent up to now is 126.4 secs Computing kpt #: 190 total cpu time spent up to now is 127.1 secs Computing kpt #: 191 total cpu time spent up to now is 127.7 secs Computing kpt #: 192 total cpu time spent up to now is 128.4 secs Computing kpt #: 193 total cpu time spent up to now is 129.0 secs Computing kpt #: 194 total cpu time spent up to now is 129.6 secs Computing kpt #: 195 total cpu time spent up to now is 130.3 secs Computing kpt #: 196 total cpu time spent up to now is 130.9 secs Computing kpt #: 197 total cpu time spent up to now is 131.6 secs Computing kpt #: 198 total cpu time spent up to now is 132.2 secs Computing kpt #: 199 total cpu time spent up to now is 132.8 secs Computing kpt #: 200 total cpu time spent up to now is 133.5 secs Computing kpt #: 201 total cpu time spent up to now is 134.1 secs Computing kpt #: 202 total cpu time spent up to now is 134.7 secs Computing kpt #: 203 total cpu time spent up to now is 135.4 secs Computing kpt #: 204 total cpu time spent up to now is 136.0 secs Computing kpt #: 205 total cpu time spent up to now is 136.7 secs Computing kpt #: 206 total cpu time spent up to now is 137.3 secs Computing kpt #: 207 total cpu time spent up to now is 138.0 secs Computing kpt #: 208 total cpu time spent up to now is 138.6 secs Computing kpt #: 209 total cpu time spent up to now is 139.3 secs Computing kpt #: 210 total cpu time spent up to now is 139.9 secs Computing kpt #: 211 total cpu time spent up to now is 140.6 secs Computing kpt #: 212 total cpu time spent up to now is 141.2 secs Computing kpt #: 213 total cpu time spent up to now is 141.8 secs Computing kpt #: 214 total cpu time spent up to now is 142.5 secs Computing kpt #: 215 total cpu time spent up to now is 143.1 secs Computing kpt #: 216 total cpu time spent up to now is 143.7 secs Computing kpt #: 217 total cpu time spent up to now is 144.4 secs Computing kpt #: 218 total cpu time spent up to now is 145.0 secs Computing kpt #: 219 total cpu time spent up to now is 145.6 secs Computing kpt #: 220 total cpu time spent up to now is 146.2 secs Computing kpt #: 221 total cpu time spent up to now is 146.9 secs Computing kpt #: 222 total cpu time spent up to now is 147.5 secs Computing kpt #: 223 total cpu time spent up to now is 148.1 secs Computing kpt #: 224 total cpu time spent up to now is 148.7 secs Computing kpt #: 225 total cpu time spent up to now is 149.3 secs Computing kpt #: 226 total cpu time spent up to now is 149.9 secs Computing kpt #: 227 total cpu time spent up to now is 150.5 secs Computing kpt #: 228 total cpu time spent up to now is 151.2 secs Computing kpt #: 229 total cpu time spent up to now is 151.8 secs Computing kpt #: 230 total cpu time spent up to now is 152.4 secs Computing kpt #: 231 total cpu time spent up to now is 153.0 secs Computing kpt #: 232 total cpu time spent up to now is 153.6 secs Computing kpt #: 233 total cpu time spent up to now is 154.3 secs Computing kpt #: 234 total cpu time spent up to now is 154.9 secs Computing kpt #: 235 total cpu time spent up to now is 155.5 secs Computing kpt #: 236 total cpu time spent up to now is 156.1 secs Computing kpt #: 237 total cpu time spent up to now is 156.8 secs Computing kpt #: 238 total cpu time spent up to now is 157.4 secs Computing kpt #: 239 total cpu time spent up to now is 158.0 secs Computing kpt #: 240 total cpu time spent up to now is 158.6 secs Computing kpt #: 241 total cpu time spent up to now is 159.3 secs Computing kpt #: 242 total cpu time spent up to now is 159.9 secs Computing kpt #: 243 total cpu time spent up to now is 160.4 secs Computing kpt #: 244 total cpu time spent up to now is 161.0 secs Computing kpt #: 245 total cpu time spent up to now is 161.5 secs Computing kpt #: 246 total cpu time spent up to now is 162.1 secs Computing kpt #: 247 total cpu time spent up to now is 162.6 secs Computing kpt #: 248 total cpu time spent up to now is 163.2 secs Computing kpt #: 249 total cpu time spent up to now is 163.7 secs Computing kpt #: 250 total cpu time spent up to now is 164.3 secs Computing kpt #: 251 total cpu time spent up to now is 164.8 secs Computing kpt #: 252 total cpu time spent up to now is 165.4 secs Computing kpt #: 253 total cpu time spent up to now is 166.0 secs Computing kpt #: 254 total cpu time spent up to now is 166.6 secs Computing kpt #: 255 total cpu time spent up to now is 167.2 secs Computing kpt #: 256 total cpu time spent up to now is 167.8 secs Computing kpt #: 257 total cpu time spent up to now is 168.4 secs Computing kpt #: 258 total cpu time spent up to now is 169.0 secs Computing kpt #: 259 total cpu time spent up to now is 169.6 secs Computing kpt #: 260 total cpu time spent up to now is 170.2 secs Computing kpt #: 261 total cpu time spent up to now is 170.8 secs Computing kpt #: 262 total cpu time spent up to now is 171.5 secs Computing kpt #: 263 total cpu time spent up to now is 172.2 secs Computing kpt #: 264 total cpu time spent up to now is 172.9 secs Computing kpt #: 265 total cpu time spent up to now is 173.6 secs Computing kpt #: 266 total cpu time spent up to now is 174.3 secs Computing kpt #: 267 total cpu time spent up to now is 175.1 secs Computing kpt #: 268 total cpu time spent up to now is 175.8 secs Computing kpt #: 269 total cpu time spent up to now is 176.6 secs Computing kpt #: 270 total cpu time spent up to now is 177.2 secs Computing kpt #: 271 total cpu time spent up to now is 178.0 secs Computing kpt #: 272 total cpu time spent up to now is 178.7 secs Computing kpt #: 273 total cpu time spent up to now is 179.4 secs Computing kpt #: 274 total cpu time spent up to now is 180.0 secs Computing kpt #: 275 total cpu time spent up to now is 180.7 secs Computing kpt #: 276 total cpu time spent up to now is 181.4 secs Computing kpt #: 277 total cpu time spent up to now is 182.2 secs Computing kpt #: 278 total cpu time spent up to now is 182.9 secs Computing kpt #: 279 total cpu time spent up to now is 183.6 secs Computing kpt #: 280 total cpu time spent up to now is 184.3 secs Computing kpt #: 281 total cpu time spent up to now is 185.0 secs Computing kpt #: 282 total cpu time spent up to now is 185.8 secs Computing kpt #: 283 total cpu time spent up to now is 186.4 secs Computing kpt #: 284 total cpu time spent up to now is 187.0 secs Computing kpt #: 285 total cpu time spent up to now is 187.7 secs Computing kpt #: 286 total cpu time spent up to now is 188.3 secs ethr = 2.50E-08, avg # of iterations = 19.8 total cpu time spent up to now is 188.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7693 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4386 -11.4386 -11.3937 -11.3937 -3.8439 -3.8439 -2.8947 -2.8947 1.7429 1.7429 4.4276 4.4276 4.7580 4.7580 5.1285 5.1285 5.7928 5.7928 5.7929 5.7929 7.1872 7.1872 7.3310 7.3310 8.0397 8.0397 8.4805 8.4806 k = 0.0128 0.0074-0.0000 ( 7681 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2194 -37.2194 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5589 -12.5589 -11.4386 -11.4386 -11.3937 -11.3937 -3.8429 -3.8429 -2.8944 -2.8944 1.7443 1.7443 4.4236 4.4236 4.7531 4.7531 5.1236 5.1236 5.7808 5.7808 5.7902 5.7902 7.1951 7.1951 7.3411 7.3411 8.0438 8.0438 8.4855 8.4855 k = 0.0256 0.0148-0.0000 ( 7689 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5590 -12.5590 -11.4386 -11.4386 -11.3940 -11.3940 -3.8398 -3.8398 -2.8933 -2.8933 1.7486 1.7486 4.4112 4.4112 4.7391 4.7391 5.1086 5.1086 5.7463 5.7463 5.7824 5.7824 7.2185 7.2185 7.3695 7.3695 8.0557 8.0557 8.5001 8.5001 k = 0.0385 0.0222-0.0000 ( 7681 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5592 -12.5592 -11.4386 -11.4386 -11.3944 -11.3944 -3.8345 -3.8345 -2.8914 -2.8914 1.7557 1.7557 4.3896 4.3896 4.7176 4.7176 5.0830 5.0830 5.6941 5.6941 5.7695 5.7695 7.2558 7.2558 7.4113 7.4113 8.0750 8.0750 8.5221 8.5221 k = 0.0513 0.0296-0.0000 ( 7687 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5594 -12.5594 -11.4386 -11.4386 -11.3950 -11.3950 -3.8272 -3.8272 -2.8889 -2.8889 1.7657 1.7657 4.3578 4.3578 4.6913 4.6913 5.0460 5.0460 5.6303 5.6303 5.7518 5.7518 7.3050 7.3050 7.4603 7.4603 8.1004 8.1004 8.5514 8.5514 k = 0.0641 0.0370-0.0000 ( 7695 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7538 -29.7538 -12.5597 -12.5597 -11.4387 -11.4387 -11.3958 -11.3958 -3.8179 -3.8179 -2.8856 -2.8856 1.7784 1.7784 4.3149 4.3149 4.6625 4.6625 4.9966 4.9966 5.5611 5.5611 5.7296 5.7296 7.3628 7.3628 7.5109 7.5109 8.1306 8.1306 8.5879 8.5879 k = 0.0769 0.0444-0.0000 ( 7685 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7538 -29.7538 -12.5600 -12.5600 -11.4387 -11.4387 -11.3967 -11.3967 -3.8065 -3.8065 -2.8816 -2.8816 1.7939 1.7939 4.2606 4.2606 4.6331 4.6331 4.9346 4.9346 5.4914 5.4914 5.7033 5.7033 7.4254 7.4254 7.5587 7.5587 8.1644 8.1644 8.6306 8.6306 k = 0.0897 0.0518-0.0000 ( 7693 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7537 -29.7537 -12.5604 -12.5604 -11.4388 -11.4388 -11.3978 -11.3978 -3.7931 -3.7931 -2.8771 -2.8771 1.8121 1.8121 4.1954 4.1954 4.6039 4.6039 4.8608 4.8608 5.4246 5.4246 5.6732 5.6732 7.4879 7.4879 7.6010 7.6010 8.2022 8.2022 8.6763 8.6763 k = 0.1026 0.0592-0.0000 ( 7701 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7537 -29.7537 -12.5609 -12.5609 -11.4389 -11.4389 -11.3990 -11.3990 -3.7778 -3.7778 -2.8718 -2.8718 1.8330 1.8330 4.1205 4.1205 4.5740 4.5740 4.7776 4.7776 5.3622 5.3622 5.6398 5.6398 7.5437 7.5437 7.6375 7.6375 8.2465 8.2465 8.7146 8.7146 k = 0.1154 0.0666-0.0000 ( 7705 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7536 -29.7536 -12.5614 -12.5614 -11.4391 -11.4391 -11.4003 -11.4003 -3.7605 -3.7605 -2.8660 -2.8660 1.8564 1.8564 4.0377 4.0377 4.5401 4.5401 4.6906 4.6906 5.3042 5.3042 5.6034 5.6034 7.5828 7.5828 7.6726 7.6726 8.3007 8.3007 8.7367 8.7367 k = 0.1282 0.0740-0.0000 ( 7697 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7535 -29.7535 -12.5620 -12.5620 -11.4392 -11.4392 -11.4017 -11.4017 -3.7414 -3.7414 -2.8597 -2.8597 1.8823 1.8823 3.9483 3.9483 4.4924 4.4924 4.6119 4.6119 5.2499 5.2499 5.5643 5.5643 7.5958 7.5958 7.7126 7.7126 8.3675 8.3675 8.7549 8.7549 k = 0.1410 0.0814-0.0000 ( 7709 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9346 -36.9346 -36.9318 -36.9318 -36.9311 -36.9311 -29.7534 -29.7534 -12.5626 -12.5626 -11.4394 -11.4394 -11.4032 -11.4032 -3.7205 -3.7205 -2.8528 -2.8528 1.9107 1.9107 3.8539 3.8539 4.4174 4.4174 4.5569 4.5569 5.1984 5.1984 5.5231 5.5231 7.5849 7.5849 7.7557 7.7557 8.4467 8.4467 8.7760 8.7760 k = 0.1538 0.0888-0.0000 ( 7723 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9318 -36.9318 -36.9311 -36.9311 -29.7533 -29.7533 -12.5632 -12.5632 -11.4397 -11.4397 -11.4048 -11.4048 -3.6979 -3.6979 -2.8455 -2.8455 1.9413 1.9413 3.7554 3.7554 4.3218 4.3218 4.5212 4.5212 5.1488 5.1488 5.4799 5.4799 7.5568 7.5568 7.7984 7.7984 8.5351 8.5351 8.8012 8.8012 k = 0.1667 0.0962-0.0000 ( 7721 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7532 -29.7532 -12.5639 -12.5639 -11.4400 -11.4400 -11.4064 -11.4064 -3.6736 -3.6736 -2.8378 -2.8378 1.9741 1.9741 3.6540 3.6540 4.2186 4.2186 4.4931 4.4931 5.1005 5.1005 5.4352 5.4352 7.5164 7.5164 7.8396 7.8396 8.6271 8.6271 8.8299 8.8299 k = 0.1795 0.1036-0.0000 ( 7723 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7531 -29.7531 -12.5647 -12.5647 -11.4404 -11.4404 -11.4080 -11.4080 -3.6477 -3.6477 -2.8298 -2.8298 2.0088 2.0088 3.5503 3.5503 4.1139 4.1139 4.4679 4.4679 5.0531 5.0531 5.3892 5.3892 7.4678 7.4678 7.8793 7.8793 8.7160 8.7160 8.8608 8.8608 k = 0.1923 0.1110-0.0000 ( 7727 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7530 -29.7530 -12.5654 -12.5654 -11.4409 -11.4409 -11.4096 -11.4096 -3.6203 -3.6203 -2.8216 -2.8216 2.0453 2.0453 3.4451 3.4451 4.0104 4.0104 4.4441 4.4441 5.0064 5.0064 5.3423 5.3423 7.4137 7.4137 7.9178 7.9178 8.7951 8.7951 8.8911 8.8911 k = 0.2051 0.1184-0.0000 ( 7731 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7529 -29.7529 -12.5662 -12.5662 -11.4414 -11.4414 -11.4112 -11.4112 -3.5915 -3.5915 -2.8131 -2.8131 2.0834 2.0834 3.3391 3.3391 3.9094 3.9094 4.4210 4.4210 4.9600 4.9600 5.2946 5.2946 7.3564 7.3564 7.9551 7.9551 8.8602 8.8602 8.9177 8.9177 k = 0.2179 0.1258-0.0000 ( 7729 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7528 -29.7528 -12.5670 -12.5670 -11.4421 -11.4421 -11.4127 -11.4127 -3.5613 -3.5613 -2.8046 -2.8046 2.1228 2.1228 3.2329 3.2329 3.8120 3.8120 4.3984 4.3984 4.9140 4.9140 5.2465 5.2465 7.2974 7.2974 7.9914 7.9914 8.9112 8.9112 8.9436 8.9436 k = 0.2308 0.1332-0.0000 ( 7733 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2226 -37.2226 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7527 -29.7527 -12.5679 -12.5679 -11.4428 -11.4428 -11.4141 -11.4141 -3.5300 -3.5300 -2.7961 -2.7961 2.1631 2.1631 3.1271 3.1271 3.7190 3.7190 4.3762 4.3762 4.8683 4.8683 5.1982 5.1982 7.2381 7.2381 8.0265 8.0265 8.9498 8.9498 8.9714 8.9714 k = 0.2436 0.1406-0.0000 ( 7729 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2226 -37.2226 -37.2200 -37.2200 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7526 -29.7526 -12.5687 -12.5687 -11.4437 -11.4437 -11.4154 -11.4154 -3.4976 -3.4976 -2.7876 -2.7876 2.2038 2.2038 3.0224 3.0224 3.6309 3.6309 4.3544 4.3544 4.8227 4.8227 5.1500 5.1500 7.1792 7.1792 8.0603 8.0603 8.9730 8.9730 9.0011 9.0011 k = 0.2564 0.1480-0.0000 ( 7727 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2226 -37.2226 -37.2200 -37.2200 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7524 -29.7524 -12.5695 -12.5695 -11.4447 -11.4447 -11.4166 -11.4166 -3.4642 -3.4642 -2.7794 -2.7794 2.2443 2.2443 2.9195 2.9195 3.5483 3.5483 4.3331 4.3331 4.7771 4.7771 5.1023 5.1023 7.1214 7.1214 8.0925 8.0925 8.9807 8.9807 9.0341 9.0341 k = 0.2692 0.1554-0.0000 ( 7741 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2201 -37.2201 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7523 -29.7523 -12.5704 -12.5704 -11.4459 -11.4459 -11.4176 -11.4176 -3.4301 -3.4301 -2.7715 -2.7715 2.2837 2.2837 2.8191 2.8191 3.4719 3.4719 4.3122 4.3122 4.7316 4.7316 5.0553 5.0553 7.0652 7.0652 8.1231 8.1231 8.9770 8.9770 9.0693 9.0693 k = 0.2821 0.1628-0.0000 ( 7743 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2201 -37.2201 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7522 -29.7522 -12.5712 -12.5712 -11.4471 -11.4471 -11.4186 -11.4186 -3.3952 -3.3952 -2.7640 -2.7640 2.3206 2.3206 2.7224 2.7224 3.4025 3.4025 4.2919 4.2919 4.6860 4.6860 5.0093 5.0093 7.0111 7.0111 8.1516 8.1516 8.9633 8.9633 9.1060 9.1060 k = 0.2949 0.1702-0.0000 ( 7735 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2202 -37.2202 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7521 -29.7521 -12.5721 -12.5721 -11.4484 -11.4484 -11.4194 -11.4194 -3.3599 -3.3599 -2.7570 -2.7570 2.3522 2.3522 2.6317 2.6317 3.3409 3.3409 4.2722 4.2722 4.6401 4.6401 4.9646 4.9646 6.9593 6.9593 8.1780 8.1780 8.9401 8.9401 9.1446 9.1446 k = 0.3077 0.1776-0.0000 ( 7735 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2202 -37.2202 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7520 -29.7520 -12.5729 -12.5729 -11.4497 -11.4497 -11.4200 -11.4200 -3.3242 -3.3242 -2.7507 -2.7507 2.3718 2.3718 2.5530 2.5530 3.2884 3.2884 4.2531 4.2531 4.5939 4.5939 4.9216 4.9216 6.9101 6.9101 8.2022 8.2022 8.9079 8.9079 9.1857 9.1857 k = 0.3205 0.1850-0.0000 ( 7753 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2203 -37.2203 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7519 -29.7519 -12.5737 -12.5737 -11.4512 -11.4512 -11.4206 -11.4206 -3.2883 -3.2883 -2.7451 -2.7451 2.3608 2.3608 2.5039 2.5039 3.2461 3.2461 4.2348 4.2348 4.5473 4.5473 4.8806 4.8806 6.8636 6.8636 8.2240 8.2240 8.8681 8.8681 9.2298 9.2298 k = 0.3333 0.1925-0.0000 ( 7751 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2203 -37.2203 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7518 -29.7518 -12.5744 -12.5744 -11.4526 -11.4526 -11.4211 -11.4211 -3.2524 -3.2524 -2.7405 -2.7405 2.3086 2.3086 2.4940 2.4940 3.2154 3.2154 4.2172 4.2172 4.5002 4.5002 4.8418 4.8418 6.8199 6.8199 8.2435 8.2435 8.8226 8.8226 9.2773 9.2773 k = 0.3462 0.1999-0.0000 ( 7755 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2223 -37.2223 -37.2204 -37.2204 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7517 -29.7517 -12.5752 -12.5752 -11.4540 -11.4540 -11.4215 -11.4215 -3.2168 -3.2168 -2.7369 -2.7369 2.2393 2.2393 2.4982 2.4982 3.1974 3.1974 4.2003 4.2003 4.4525 4.4525 4.8055 4.8055 6.7792 6.7792 8.2607 8.2607 8.7734 8.7734 9.3277 9.3277 k = 0.3590 0.2073-0.0000 ( 7757 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2223 -37.2223 -37.2204 -37.2204 -36.9356 -36.9356 -36.9346 -36.9346 -36.9322 -36.9322 -36.9311 -36.9311 -29.7516 -29.7516 -12.5759 -12.5759 -11.4554 -11.4554 -11.4218 -11.4218 -3.1816 -3.1816 -2.7344 -2.7344 2.1683 2.1683 2.5012 2.5012 3.1925 3.1925 4.1840 4.1840 4.4046 4.4046 4.7719 4.7719 6.7415 6.7415 8.2755 8.2755 8.7226 8.7226 9.3806 9.3806 k = 0.3718 0.2147-0.0000 ( 7753 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2222 -37.2222 -37.2205 -37.2205 -36.9356 -36.9356 -36.9346 -36.9346 -36.9322 -36.9322 -36.9311 -36.9311 -29.7515 -29.7515 -12.5765 -12.5765 -11.4567 -11.4567 -11.4220 -11.4220 -3.1470 -3.1470 -2.7331 -2.7331 2.1000 2.1000 2.4989 2.4989 3.2002 3.2002 4.1683 4.1683 4.3565 4.3565 4.7411 4.7411 6.7069 6.7069 8.2881 8.2881 8.6721 8.6721 9.4347 9.4347 k = 0.3846 0.2221-0.0000 ( 7749 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2222 -37.2222 -37.2205 -37.2205 -36.9356 -36.9356 -36.9346 -36.9346 -36.9322 -36.9322 -36.9311 -36.9311 -29.7514 -29.7514 -12.5771 -12.5771 -11.4580 -11.4580 -11.4222 -11.4222 -3.1133 -3.1133 -2.7331 -2.7331 2.0362 2.0362 2.4915 2.4915 3.2190 3.2190 4.1526 4.1526 4.3090 4.3090 4.7132 4.7132 6.6755 6.6755 8.2983 8.2983 8.6235 8.6235 9.4889 9.4889 k = 0.3974 0.2295-0.0000 ( 7745 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2221 -37.2221 -37.2206 -37.2206 -36.9356 -36.9356 -36.9345 -36.9345 -36.9322 -36.9322 -36.9311 -36.9311 -29.7513 -29.7513 -12.5777 -12.5777 -11.4592 -11.4592 -11.4224 -11.4224 -3.0808 -3.0808 -2.7346 -2.7346 1.9777 1.9777 2.4800 2.4800 3.2468 3.2468 4.1361 4.1361 4.2631 4.2631 4.6882 4.6882 6.6473 6.6473 8.3062 8.3062 8.5784 8.5784 9.5424 9.5424 k = 0.4103 0.2369-0.0000 ( 7744 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2221 -37.2221 -37.2206 -37.2206 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7513 -29.7513 -12.5782 -12.5782 -11.4602 -11.4602 -11.4225 -11.4225 -3.0497 -3.0497 -2.7374 -2.7374 1.9251 1.9251 2.4662 2.4662 3.2813 3.2813 4.1170 4.1170 4.2211 4.2211 4.6663 4.6663 6.6223 6.6223 8.3113 8.3113 8.5381 8.5381 9.5948 9.5948 k = 0.4231 0.2443-0.0000 ( 7752 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2221 -37.2221 -37.2207 -37.2207 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7512 -29.7512 -12.5786 -12.5786 -11.4612 -11.4612 -11.4226 -11.4226 -3.0203 -3.0203 -2.7416 -2.7416 1.8788 1.8788 2.4515 2.4515 3.3202 3.3202 4.0923 4.0923 4.1867 4.1867 4.6473 4.6473 6.6006 6.6006 8.3136 8.3136 8.5039 8.5039 9.6455 9.6455 k = 0.4359 0.2517-0.0000 ( 7746 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7511 -29.7511 -12.5790 -12.5790 -11.4620 -11.4620 -11.4226 -11.4226 -2.9931 -2.9931 -2.7470 -2.7470 1.8391 1.8391 2.4372 2.4372 3.3614 3.3614 4.0602 4.0602 4.1623 4.1623 4.6312 4.6312 6.5821 6.5821 8.3127 8.3127 8.4766 8.4766 9.6937 9.6937 k = 0.4487 0.2591-0.0000 ( 7750 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7511 -29.7511 -12.5793 -12.5793 -11.4627 -11.4627 -11.4227 -11.4227 -2.9686 -2.9686 -2.7533 -2.7533 1.8062 1.8062 2.4245 2.4245 3.4026 3.4026 4.0233 4.0233 4.1467 4.1467 4.6182 4.6182 6.5670 6.5670 8.3091 8.3091 8.4564 8.4564 9.7380 9.7380 k = 0.4615 0.2665-0.0000 ( 7758 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7511 -29.7511 -12.5796 -12.5796 -11.4633 -11.4633 -11.4227 -11.4227 -2.9475 -2.9475 -2.7600 -2.7600 1.7805 1.7805 2.4139 2.4139 3.4412 3.4412 3.9865 3.9865 4.1367 4.1367 4.6080 4.6080 6.5552 6.5552 8.3037 8.3037 8.4430 8.4430 9.7767 9.7767 k = 0.4744 0.2739-0.0000 ( 7756 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7510 -29.7510 -12.5797 -12.5797 -11.4636 -11.4636 -11.4227 -11.4227 -2.9308 -2.9308 -2.7663 -2.7663 1.7619 1.7619 2.4060 2.4060 3.4738 3.4738 3.9547 3.9547 4.1305 4.1305 4.6008 4.6008 6.5468 6.5468 8.2981 8.2981 8.4348 8.4348 9.8076 9.8076 k = 0.4872 0.2813-0.0000 ( 7760 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9199 -2.9199 -2.7710 -2.7710 1.7508 1.7508 2.4011 2.4011 3.4962 3.4962 3.9326 3.9326 4.1270 4.1270 4.5965 4.5965 6.5418 6.5418 8.2940 8.2940 8.4305 8.4305 9.8278 9.8278 k = 0.5000 0.2887-0.0000 ( 7752 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9160 -2.9160 -2.7727 -2.7727 1.7470 1.7470 2.3994 2.3994 3.5043 3.5043 3.9246 3.9246 4.1259 4.1259 4.5950 4.5950 6.5401 6.5401 8.2926 8.2926 8.4292 8.4292 9.8349 9.8349 k = 0.5000 0.2887-0.0000 ( 7752 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9160 -2.9160 -2.7727 -2.7727 1.7470 1.7470 2.3994 2.3994 3.5043 3.5043 3.9246 3.9246 4.1259 4.1259 4.5950 4.5950 6.5401 6.5401 8.2926 8.2926 8.4292 8.4292 9.8349 9.8349 k = 0.4928 0.3012-0.0000 ( 7752 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9156 -2.9156 -2.7725 -2.7725 1.7483 1.7483 2.3992 2.3992 3.5047 3.5047 3.9232 3.9232 4.1189 4.1189 4.5921 4.5921 6.5517 6.5517 8.2921 8.2921 8.4343 8.4343 9.8010 9.8010 k = 0.4855 0.3138-0.0000 ( 7756 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4638 -11.4638 -11.4230 -11.4230 -2.9144 -2.9144 -2.7717 -2.7717 1.7520 1.7520 2.3984 2.3984 3.5058 3.5058 3.9181 3.9181 4.0992 4.0992 4.5834 4.5834 6.5858 6.5858 8.2908 8.2908 8.4491 8.4491 9.7372 9.7372 k = 0.4783 0.3263-0.0000 ( 7752 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9344 -36.9344 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5800 -12.5800 -11.4637 -11.4637 -11.4233 -11.4233 -2.9124 -2.9124 -2.7704 -2.7704 1.7582 1.7582 2.3970 2.3970 3.5074 3.5074 3.9068 3.9068 4.0711 4.0711 4.5691 4.5691 6.6409 6.6409 8.2885 8.2885 8.4730 8.4730 9.6612 9.6612 k = 0.4710 0.3389-0.0000 ( 7750 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9344 -36.9344 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5800 -12.5800 -11.4634 -11.4634 -11.4238 -11.4238 -2.9096 -2.9096 -2.7686 -2.7686 1.7669 1.7669 2.3950 2.3950 3.5092 3.5092 3.8842 3.8842 4.0423 4.0423 4.5497 4.5497 6.7146 6.7146 8.2850 8.2850 8.5053 8.5053 9.5788 9.5788 k = 0.4638 0.3514-0.0000 ( 7756 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9344 -36.9344 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5801 -12.5801 -11.4631 -11.4631 -11.4244 -11.4244 -2.9060 -2.9060 -2.7664 -2.7664 1.7780 1.7780 2.3925 2.3925 3.5103 3.5103 3.8458 3.8458 4.0205 4.0205 4.5257 4.5257 6.8043 6.8043 8.2800 8.2800 8.5446 8.5446 9.4943 9.4943 k = 0.4565 0.3640-0.0000 ( 7748 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9344 -36.9344 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5802 -12.5802 -11.4628 -11.4628 -11.4250 -11.4250 -2.9016 -2.9016 -2.7638 -2.7638 1.7915 1.7915 2.3894 2.3894 3.5089 3.5089 3.7935 3.7935 4.0081 4.0081 4.4979 4.4979 6.9072 6.9072 8.2731 8.2731 8.5895 8.5895 9.4109 9.4109 k = 0.4493 0.3765-0.0000 ( 7732 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9343 -36.9343 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5803 -12.5803 -11.4623 -11.4623 -11.4258 -11.4258 -2.8966 -2.8966 -2.7609 -2.7609 1.8073 1.8073 2.3857 2.3857 3.5013 3.5013 3.7360 3.7360 4.0021 4.0021 4.4670 4.4670 7.0208 7.0208 8.2638 8.2638 8.6382 8.6382 9.3313 9.3313 k = 0.4420 0.3891-0.0000 ( 7728 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9343 -36.9343 -36.9325 -36.9325 -36.9310 -36.9310 -29.7509 -29.7509 -12.5804 -12.5804 -11.4619 -11.4619 -11.4267 -11.4267 -2.8909 -2.8909 -2.7578 -2.7578 1.8255 1.8255 2.3814 2.3814 3.4795 3.4795 3.6861 3.6861 3.9995 3.9995 4.4338 4.4338 7.1426 7.1426 8.2517 8.2517 8.6889 8.6889 9.2577 9.2577 k = 0.4348 0.4016-0.0000 ( 7726 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2209 -37.2209 -36.9357 -36.9357 -36.9343 -36.9343 -36.9325 -36.9325 -36.9310 -36.9310 -29.7509 -29.7509 -12.5805 -12.5805 -11.4614 -11.4614 -11.4277 -11.4277 -2.8845 -2.8845 -2.7545 -2.7545 1.8460 1.8460 2.3765 2.3765 3.4350 3.4350 3.6556 3.6556 3.9985 3.9985 4.3991 4.3991 7.2700 7.2700 8.2367 8.2367 8.7396 8.7396 9.1918 9.1918 k = 0.4275 0.4142-0.0000 ( 7731 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2209 -37.2209 -36.9357 -36.9357 -36.9342 -36.9342 -36.9325 -36.9325 -36.9310 -36.9310 -29.7509 -29.7509 -12.5807 -12.5807 -11.4608 -11.4608 -11.4287 -11.4287 -2.8775 -2.8775 -2.7512 -2.7512 1.8687 1.8687 2.3710 2.3710 3.3694 3.3694 3.6451 3.6451 3.9980 3.9980 4.3638 4.3638 7.4007 7.4007 8.2192 8.2192 8.7884 8.7884 9.1351 9.1351 k = 0.4203 0.4267-0.0000 ( 7741 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2209 -37.2209 -36.9358 -36.9358 -36.9342 -36.9342 -36.9326 -36.9326 -36.9310 -36.9310 -29.7509 -29.7509 -12.5808 -12.5808 -11.4602 -11.4602 -11.4298 -11.4298 -2.8699 -2.8699 -2.7478 -2.7478 1.8934 1.8934 2.3649 2.3649 3.2919 3.2919 3.6472 3.6472 3.9972 3.9972 4.3287 4.3287 7.5312 7.5312 8.2010 8.2010 8.8335 8.8335 9.0884 9.0884 k = 0.4130 0.4393-0.0000 ( 7749 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2210 -37.2210 -36.9358 -36.9358 -36.9342 -36.9342 -36.9326 -36.9326 -36.9310 -36.9310 -29.7508 -29.7508 -12.5809 -12.5809 -11.4596 -11.4596 -11.4309 -11.4309 -2.8619 -2.8619 -2.7447 -2.7447 1.9201 1.9201 2.3583 2.3583 3.2093 3.2093 3.6562 3.6562 3.9955 3.9955 4.2945 4.2945 7.6564 7.6564 8.1862 8.1862 8.8736 8.8736 9.0521 9.0521 k = 0.4058 0.4518-0.0000 ( 7749 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2218 -37.2218 -37.2210 -37.2210 -36.9358 -36.9358 -36.9341 -36.9341 -36.9327 -36.9327 -36.9310 -36.9310 -29.7508 -29.7508 -12.5811 -12.5811 -11.4589 -11.4589 -11.4321 -11.4321 -2.8534 -2.8534 -2.7418 -2.7418 1.9486 1.9486 2.3513 2.3513 3.1255 3.1255 3.6695 3.6695 3.9924 3.9924 4.2618 4.2618 7.7665 7.7665 8.1845 8.1845 8.9076 8.9076 9.0259 9.0259 k = 0.3986 0.4644-0.0000 ( 7747 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2210 -37.2210 -36.9358 -36.9358 -36.9341 -36.9341 -36.9327 -36.9327 -36.9310 -36.9310 -29.7508 -29.7508 -12.5812 -12.5812 -11.4582 -11.4582 -11.4332 -11.4332 -2.8446 -2.8446 -2.7394 -2.7394 1.9787 1.9787 2.3441 2.3441 3.0425 3.0425 3.6857 3.6857 3.9877 3.9877 4.2311 4.2311 7.8441 7.8441 8.2132 8.2132 8.9349 8.9349 9.0097 9.0097 k = 0.3913 0.4769-0.0000 ( 7751 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2211 -37.2211 -36.9358 -36.9358 -36.9340 -36.9340 -36.9327 -36.9327 -36.9310 -36.9310 -29.7508 -29.7508 -12.5814 -12.5814 -11.4576 -11.4576 -11.4344 -11.4344 -2.8355 -2.8355 -2.7375 -2.7375 2.0101 2.0101 2.3369 2.3369 2.9617 2.9617 3.7040 3.7040 3.9812 3.9812 4.2027 4.2027 7.8764 7.8764 8.2855 8.2855 8.9549 8.9549 9.0034 9.0034 k = 0.3841 0.4895-0.0000 ( 7747 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2211 -37.2211 -36.9358 -36.9358 -36.9340 -36.9340 -36.9328 -36.9328 -36.9310 -36.9310 -29.7507 -29.7507 -12.5815 -12.5815 -11.4569 -11.4569 -11.4355 -11.4355 -2.8261 -2.8261 -2.7363 -2.7363 2.0423 2.0423 2.3301 2.3301 2.8842 2.8842 3.7241 3.7241 3.9731 3.9731 4.1766 4.1766 7.8748 7.8748 8.3903 8.3903 8.9676 8.9676 9.0064 9.0064 k = 0.3768 0.5020-0.0000 ( 7735 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2211 -37.2211 -36.9358 -36.9358 -36.9339 -36.9339 -36.9328 -36.9328 -36.9309 -36.9309 -29.7507 -29.7507 -12.5816 -12.5816 -11.4562 -11.4562 -11.4366 -11.4366 -2.8165 -2.8165 -2.7360 -2.7360 2.0745 2.0745 2.3242 2.3242 2.8110 2.8110 3.7454 3.7454 3.9638 3.9638 4.1527 4.1527 7.8574 7.8574 8.5096 8.5096 8.9764 8.9764 9.0155 9.0155 k = 0.3696 0.5146-0.0000 ( 7745 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2212 -37.2212 -36.9359 -36.9359 -36.9339 -36.9339 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5818 -12.5818 -11.4557 -11.4557 -11.4375 -11.4375 -2.8069 -2.8069 -2.7367 -2.7367 2.1056 2.1056 2.3201 2.3201 2.7429 2.7429 3.7676 3.7676 3.9539 3.9539 4.1307 4.1307 7.8347 7.8347 8.6319 8.6319 8.9848 8.9848 9.0274 9.0274 k = 0.3623 0.5271-0.0000 ( 7749 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2212 -37.2212 -36.9359 -36.9359 -36.9339 -36.9339 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5819 -12.5819 -11.4551 -11.4551 -11.4384 -11.4384 -2.7973 -2.7973 -2.7385 -2.7385 2.1339 2.1339 2.3191 2.3191 2.6810 2.6810 3.7899 3.7899 3.9442 3.9442 4.1103 4.1103 7.8122 7.8122 8.7493 8.7493 8.9941 8.9941 9.0428 9.0428 k = 0.3551 0.5397-0.0000 ( 7741 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2212 -37.2212 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5820 -12.5820 -11.4547 -11.4547 -11.4391 -11.4391 -2.7878 -2.7878 -2.7416 -2.7416 2.1571 2.1571 2.3227 2.3227 2.6268 2.6268 3.8112 3.8112 3.9357 3.9357 4.0914 4.0914 7.7927 7.7927 8.8521 8.8521 9.0029 9.0029 9.0679 9.0679 k = 0.3478 0.5522-0.0000 ( 7743 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5820 -12.5820 -11.4544 -11.4544 -11.4396 -11.4396 -2.7785 -2.7785 -2.7460 -2.7460 2.1729 2.1729 2.3309 2.3309 2.5825 2.5825 3.8296 3.8296 3.9296 3.9296 4.0747 4.0747 7.7776 7.7776 8.9259 8.9259 9.0092 9.0092 9.1121 9.1121 k = 0.3406 0.5648-0.0000 ( 7751 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4542 -11.4542 -11.4399 -11.4399 -2.7696 -2.7696 -2.7518 -2.7518 2.1811 2.1811 2.3407 2.3407 2.5522 2.5522 3.8425 3.8425 3.9267 3.9267 4.0621 4.0621 7.7682 7.7682 8.9645 8.9645 9.0117 9.0117 9.1670 9.1670 k = 0.3333 0.5774-0.0000 ( 7743 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7634 -2.7634 -2.7570 -2.7570 2.1833 2.1833 2.3453 2.3453 2.5412 2.5412 3.8470 3.8470 3.9263 3.9263 4.0571 4.0571 7.7649 7.7649 8.9764 8.9764 9.0118 9.0118 9.1905 9.1905 k = 0.3333 0.5774-0.0000 ( 7743 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7634 -2.7634 -2.7570 -2.7570 2.1833 2.1833 2.3453 2.3453 2.5412 2.5412 3.8470 3.8470 3.9263 3.9263 4.0571 4.0571 7.7649 7.7649 8.9764 8.9764 9.0118 9.0118 9.1905 9.1905 k = 0.3259 0.5645-0.0000 ( 7743 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4542 -11.4542 -11.4399 -11.4399 -2.7705 -2.7705 -2.7510 -2.7510 2.1817 2.1817 2.3403 2.3403 2.5522 2.5522 3.8423 3.8423 3.9258 3.9258 4.0633 4.0633 7.7684 7.7684 8.9652 8.9652 9.0109 9.0109 9.1798 9.1798 k = 0.3185 0.5517-0.0000 ( 7739 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5820 -12.5820 -11.4543 -11.4543 -11.4396 -11.4396 -2.7819 -2.7819 -2.7432 -2.7432 2.1784 2.1784 2.3287 2.3287 2.5806 2.5806 3.8288 3.8288 3.9244 3.9244 4.0813 4.0813 7.7788 7.7788 8.9363 8.9363 9.0024 9.0024 9.1664 9.1664 k = 0.3111 0.5389-0.0000 ( 7739 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2212 -37.2212 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5819 -12.5819 -11.4545 -11.4545 -11.4392 -11.4392 -2.7956 -2.7956 -2.7358 -2.7358 2.1748 2.1748 2.3161 2.3161 2.6196 2.6196 3.8071 3.8071 3.9243 3.9243 4.1084 4.1084 7.7961 7.7961 8.8956 8.8956 8.9788 8.9788 9.1589 9.1589 k = 0.3037 0.5260-0.0000 ( 7751 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2212 -37.2212 -36.9359 -36.9359 -36.9339 -36.9339 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5818 -12.5818 -11.4548 -11.4548 -11.4386 -11.4386 -2.8113 -2.8113 -2.7290 -2.7290 2.1720 2.1720 2.3060 2.3060 2.6644 2.6644 3.7790 3.7790 3.9274 3.9274 4.1416 4.1416 7.8200 7.8200 8.8477 8.8477 8.9382 8.9382 9.1570 9.1570 k = 0.2963 0.5132-0.0000 ( 7751 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2211 -37.2211 -36.9359 -36.9359 -36.9339 -36.9339 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5816 -12.5816 -11.4550 -11.4550 -11.4379 -11.4379 -2.8290 -2.8290 -2.7229 -2.7229 2.1713 2.1713 2.2999 2.2999 2.7123 2.7123 3.7464 3.7464 3.9341 3.9341 4.1789 4.1789 7.8500 7.8500 8.7956 8.7956 8.8854 8.8854 9.1582 9.1582 k = 0.2889 0.5004-0.0000 ( 7759 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2211 -37.2211 -36.9359 -36.9359 -36.9339 -36.9339 -36.9328 -36.9328 -36.9310 -36.9310 -29.7508 -29.7508 -12.5814 -12.5814 -11.4551 -11.4551 -11.4372 -11.4372 -2.8489 -2.8489 -2.7176 -2.7176 2.1734 2.1734 2.2983 2.2983 2.7614 2.7614 3.7115 3.7115 3.9442 3.9442 4.2193 4.2193 7.8852 7.8852 8.7412 8.7412 8.8272 8.8272 9.1591 9.1591 k = 0.2815 0.4875-0.0000 ( 7759 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2210 -37.2210 -36.9358 -36.9358 -36.9340 -36.9340 -36.9328 -36.9328 -36.9310 -36.9310 -29.7508 -29.7508 -12.5812 -12.5812 -11.4552 -11.4552 -11.4364 -11.4364 -2.8708 -2.8708 -2.7132 -2.7132 2.1790 2.1790 2.3013 2.3013 2.8102 2.8102 3.6761 3.6761 3.9575 3.9575 4.2620 4.2620 7.9245 7.9245 8.6861 8.6861 8.7682 8.7682 9.1571 9.1571 k = 0.2741 0.4747-0.0000 ( 7739 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2218 -37.2218 -37.2210 -37.2210 -36.9358 -36.9358 -36.9340 -36.9340 -36.9327 -36.9327 -36.9310 -36.9310 -29.7508 -29.7508 -12.5809 -12.5809 -11.4552 -11.4552 -11.4356 -11.4356 -2.8946 -2.8946 -2.7096 -2.7096 2.1887 2.1887 2.3089 2.3089 2.8572 2.8572 3.6422 3.6422 3.9740 3.9740 4.3066 4.3066 7.9663 7.9663 8.6319 8.6319 8.7112 8.7112 9.1513 9.1513 k = 0.2667 0.4619-0.0000 ( 7741 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2209 -37.2209 -36.9358 -36.9358 -36.9341 -36.9341 -36.9327 -36.9327 -36.9310 -36.9310 -29.7509 -29.7509 -12.5805 -12.5805 -11.4551 -11.4551 -11.4348 -11.4348 -2.9203 -2.9203 -2.7069 -2.7069 2.2027 2.2027 2.3210 2.3210 2.9006 2.9006 3.6118 3.6118 3.9933 3.9933 4.3529 4.3529 8.0079 8.0079 8.5805 8.5805 8.6583 8.6583 9.1413 9.1413 k = 0.2593 0.4491-0.0000 ( 7743 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2209 -37.2209 -36.9358 -36.9358 -36.9341 -36.9341 -36.9326 -36.9326 -36.9310 -36.9310 -29.7509 -29.7509 -12.5801 -12.5801 -11.4549 -11.4549 -11.4339 -11.4339 -2.9478 -2.9478 -2.7052 -2.7052 2.2211 2.2211 2.3375 2.3375 2.9383 2.9383 3.5877 3.5877 4.0155 4.0155 4.4006 4.4006 8.0455 8.0455 8.5337 8.5337 8.6123 8.6123 9.1271 9.1271 k = 0.2519 0.4362-0.0000 ( 7747 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9358 -36.9358 -36.9342 -36.9342 -36.9326 -36.9326 -36.9310 -36.9310 -29.7510 -29.7510 -12.5797 -12.5797 -11.4546 -11.4546 -11.4330 -11.4330 -2.9769 -2.9769 -2.7044 -2.7044 2.2435 2.2435 2.3583 2.3583 2.9680 2.9680 3.5727 3.5727 4.0404 4.0404 4.4495 4.4495 8.0735 8.0735 8.4918 8.4918 8.5785 8.5785 9.1088 9.1088 k = 0.2444 0.4234-0.0000 ( 7739 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9357 -36.9357 -36.9342 -36.9342 -36.9325 -36.9325 -36.9310 -36.9310 -29.7511 -29.7511 -12.5792 -12.5792 -11.4542 -11.4542 -11.4322 -11.4322 -3.0075 -3.0075 -2.7046 -2.7046 2.2695 2.2695 2.3836 2.3836 2.9879 2.9879 3.5695 3.5695 4.0680 4.0680 4.4995 4.4995 8.0864 8.0864 8.4518 8.4518 8.5657 8.5657 9.0864 9.0864 k = 0.2370 0.4106-0.0000 ( 7739 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9357 -36.9357 -36.9342 -36.9342 -36.9325 -36.9325 -36.9310 -36.9310 -29.7512 -29.7512 -12.5786 -12.5786 -11.4537 -11.4537 -11.4313 -11.4313 -3.0394 -3.0394 -2.7057 -2.7057 2.2983 2.2983 2.4132 2.4132 2.9973 2.9973 3.5795 3.5795 4.0981 4.0981 4.5505 4.5505 8.0814 8.0814 8.4108 8.4108 8.5789 8.5789 9.0601 9.0601 k = 0.2296 0.3977-0.0000 ( 7743 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2221 -37.2221 -37.2206 -37.2206 -36.9357 -36.9357 -36.9343 -36.9343 -36.9324 -36.9324 -36.9310 -36.9310 -29.7512 -29.7512 -12.5780 -12.5780 -11.4531 -11.4531 -11.4304 -11.4304 -3.0726 -3.0726 -2.7078 -2.7078 2.3285 2.3285 2.4471 2.4471 2.9980 2.9980 3.6025 3.6025 4.1306 4.1306 4.6022 4.6022 8.0614 8.0614 8.3689 8.3689 8.6145 8.6145 9.0304 9.0304 k = 0.2222 0.3849-0.0000 ( 7743 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2221 -37.2221 -37.2206 -37.2206 -36.9357 -36.9357 -36.9343 -36.9343 -36.9324 -36.9324 -36.9310 -36.9310 -29.7513 -29.7513 -12.5774 -12.5774 -11.4524 -11.4524 -11.4295 -11.4295 -3.1067 -3.1067 -2.7107 -2.7107 2.3584 2.3584 2.4853 2.4853 2.9936 2.9936 3.6365 3.6365 4.1656 4.1656 4.6546 4.6546 8.0318 8.0318 8.3275 8.3275 8.6648 8.6648 8.9976 8.9976 k = 0.2148 0.3721-0.0000 ( 7737 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2222 -37.2222 -37.2205 -37.2205 -36.9357 -36.9357 -36.9344 -36.9344 -36.9323 -36.9323 -36.9310 -36.9310 -29.7514 -29.7514 -12.5768 -12.5768 -11.4516 -11.4516 -11.4285 -11.4285 -3.1416 -3.1416 -2.7145 -2.7145 2.3853 2.3853 2.5279 2.5279 2.9891 2.9891 3.6791 3.6791 4.2029 4.2029 4.7074 4.7074 7.9975 7.9975 8.2874 8.2874 8.7225 8.7225 8.9623 8.9623 k = 0.2074 0.3592-0.0000 ( 7729 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2222 -37.2222 -37.2204 -37.2204 -36.9357 -36.9357 -36.9344 -36.9344 -36.9323 -36.9323 -36.9310 -36.9310 -29.7515 -29.7515 -12.5761 -12.5761 -11.4508 -11.4508 -11.4276 -11.4276 -3.1772 -3.1772 -2.7192 -2.7192 2.4061 2.4061 2.5748 2.5748 2.9899 2.9899 3.7278 3.7278 4.2424 4.2424 4.7606 4.7606 7.9617 7.9617 8.2491 8.2491 8.7810 8.7810 8.9262 8.9262 k = 0.2000 0.3464-0.0000 ( 7745 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2223 -37.2223 -37.2204 -37.2204 -36.9357 -36.9357 -36.9345 -36.9345 -36.9322 -36.9322 -36.9311 -36.9311 -29.7516 -29.7516 -12.5753 -12.5753 -11.4499 -11.4499 -11.4266 -11.4266 -3.2132 -3.2132 -2.7245 -2.7245 2.4178 2.4178 2.6259 2.6259 3.0010 3.0010 3.7805 3.7805 4.2841 4.2841 4.8139 4.8139 7.9266 7.9266 8.2128 8.2128 8.8283 8.8283 8.8965 8.8965 k = 0.1926 0.3336-0.0000 ( 7733 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2223 -37.2223 -37.2203 -37.2203 -36.9356 -36.9356 -36.9345 -36.9345 -36.9322 -36.9322 -36.9310 -36.9310 -29.7517 -29.7517 -12.5746 -12.5746 -11.4489 -11.4489 -11.4255 -11.4255 -3.2495 -3.2495 -2.7306 -2.7306 2.4181 2.4181 2.6811 2.6811 3.0258 3.0258 3.8357 3.8357 4.3278 4.3278 4.8672 4.8672 7.8934 7.8934 8.1788 8.1788 8.8238 8.8238 8.9099 8.9099 k = 0.1852 0.3208-0.0000 ( 7733 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2203 -37.2203 -36.9356 -36.9356 -36.9345 -36.9345 -36.9321 -36.9321 -36.9311 -36.9311 -29.7518 -29.7518 -12.5738 -12.5738 -11.4480 -11.4480 -11.4244 -11.4244 -3.2859 -3.2859 -2.7372 -2.7372 2.4069 2.4069 2.7404 2.7404 3.0655 3.0655 3.8922 3.8922 4.3735 4.3735 4.9202 4.9202 7.8630 7.8630 8.1472 8.1472 8.7861 8.7861 8.9443 8.9443 k = 0.1778 0.3079-0.0000 ( 7733 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2202 -37.2202 -36.9356 -36.9356 -36.9345 -36.9345 -36.9321 -36.9321 -36.9311 -36.9311 -29.7520 -29.7520 -12.5730 -12.5730 -11.4470 -11.4470 -11.4233 -11.4233 -3.3222 -3.3222 -2.7445 -2.7445 2.3858 2.3858 2.8036 2.8036 3.1192 3.1192 3.9492 3.9492 4.4211 4.4211 4.9730 4.9730 7.8359 7.8359 8.1180 8.1180 8.7429 8.7429 8.9690 8.9690 k = 0.1704 0.2951-0.0000 ( 7729 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2202 -37.2202 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7521 -29.7521 -12.5721 -12.5721 -11.4461 -11.4461 -11.4221 -11.4221 -3.3582 -3.3582 -2.7522 -2.7522 2.3569 2.3569 2.8705 2.8705 3.1849 3.1849 4.0059 4.0059 4.4704 4.4704 5.0251 5.0251 7.8123 7.8123 8.0914 8.0914 8.6982 8.6982 8.9797 8.9797 k = 0.1630 0.2823-0.0000 ( 7733 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2201 -37.2201 -36.9356 -36.9356 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7522 -29.7522 -12.5713 -12.5713 -11.4452 -11.4452 -11.4208 -11.4208 -3.3939 -3.3939 -2.7602 -2.7602 2.3227 2.3227 2.9411 2.9411 3.2607 3.2607 4.0617 4.0617 4.5214 4.5214 5.0765 5.0765 7.7926 7.7926 8.0672 8.0672 8.6531 8.6531 8.9772 8.9772 k = 0.1556 0.2694-0.0000 ( 7729 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2201 -37.2201 -36.9356 -36.9356 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7523 -29.7523 -12.5704 -12.5704 -11.4444 -11.4444 -11.4194 -11.4194 -3.4290 -3.4290 -2.7686 -2.7686 2.2850 2.2850 3.0151 3.0151 3.3446 3.3446 4.1162 4.1162 4.5739 4.5739 5.1270 5.1270 7.7765 7.7765 8.0452 8.0452 8.6081 8.6081 8.9642 8.9642 k = 0.1481 0.2566-0.0000 ( 7725 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2226 -37.2226 -37.2200 -37.2200 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7524 -29.7524 -12.5696 -12.5696 -11.4436 -11.4436 -11.4180 -11.4180 -3.4633 -3.4633 -2.7773 -2.7773 2.2453 2.2453 3.0923 3.0923 3.4354 3.4354 4.1690 4.1690 4.6278 4.6278 5.1764 5.1764 7.7641 7.7641 8.0252 8.0252 8.5638 8.5638 8.9441 8.9441 k = 0.1407 0.2438-0.0000 ( 7723 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2226 -37.2226 -37.2200 -37.2200 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7525 -29.7525 -12.5687 -12.5687 -11.4428 -11.4428 -11.4164 -11.4164 -3.4968 -3.4968 -2.7860 -2.7860 2.2046 2.2046 3.1725 3.1725 3.5318 3.5318 4.2199 4.2199 4.6830 4.6830 5.2245 5.2245 7.7548 7.7548 8.0067 8.0067 8.5208 8.5208 8.9201 8.9201 k = 0.1333 0.2309-0.0000 ( 7729 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2226 -37.2226 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7527 -29.7527 -12.5679 -12.5679 -11.4422 -11.4422 -11.4149 -11.4149 -3.5294 -3.5294 -2.7949 -2.7949 2.1638 2.1638 3.2554 3.2554 3.6329 3.6329 4.2686 4.2686 4.7393 4.7393 5.2713 5.2713 7.7483 7.7483 7.9890 7.9890 8.4796 8.4796 8.8946 8.8946 k = 0.1259 0.2181-0.0000 ( 7723 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7528 -29.7528 -12.5670 -12.5670 -11.4416 -11.4416 -11.4132 -11.4132 -3.5608 -3.5608 -2.8037 -2.8037 2.1234 2.1234 3.3407 3.3407 3.7379 3.7379 4.3149 4.3149 4.7965 4.7965 5.3166 5.3166 7.7439 7.7439 7.9711 7.9711 8.4407 8.4407 8.8696 8.8696 k = 0.1185 0.2053-0.0000 ( 7725 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7529 -29.7529 -12.5662 -12.5662 -11.4411 -11.4411 -11.4116 -11.4116 -3.5910 -3.5910 -2.8125 -2.8125 2.0840 2.0840 3.4281 3.4281 3.8458 3.8458 4.3591 4.3591 4.8546 4.8546 5.3603 5.3603 7.7407 7.7407 7.9518 7.9518 8.4045 8.4045 8.8464 8.8464 k = 0.1111 0.1925-0.0000 ( 7725 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7530 -29.7530 -12.5654 -12.5654 -11.4406 -11.4406 -11.4099 -11.4099 -3.6199 -3.6199 -2.8211 -2.8211 2.0458 2.0458 3.5170 3.5170 3.9558 3.9558 4.4011 4.4011 4.9133 4.9133 5.4024 5.4024 7.7376 7.7376 7.9295 7.9295 8.3715 8.3715 8.8261 8.8261 k = 0.1037 0.1796-0.0000 ( 7721 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7531 -29.7531 -12.5647 -12.5647 -11.4402 -11.4402 -11.4082 -11.4082 -3.6474 -3.6474 -2.8295 -2.8295 2.0092 2.0092 3.6070 3.6070 4.0665 4.0665 4.4416 4.4416 4.9725 4.9725 5.4429 5.4429 7.7335 7.7335 7.9023 7.9023 8.3418 8.3418 8.8087 8.8087 k = 0.0963 0.1668-0.0000 ( 7715 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9318 -36.9318 -36.9311 -36.9311 -29.7532 -29.7532 -12.5639 -12.5639 -11.4399 -11.4399 -11.4065 -11.4065 -3.6733 -3.6733 -2.8376 -2.8376 1.9744 1.9744 3.6975 3.6975 4.1763 4.1763 4.4814 4.4814 5.0323 5.0323 5.4817 5.4817 7.7272 7.7272 7.8684 7.8684 8.3155 8.3155 8.7697 8.7697 k = 0.0889 0.1540-0.0000 ( 7711 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9318 -36.9318 -36.9311 -36.9311 -29.7533 -29.7533 -12.5632 -12.5632 -11.4396 -11.4396 -11.4049 -11.4049 -3.6977 -3.6977 -2.8454 -2.8454 1.9416 1.9416 3.7879 3.7879 4.2824 4.2824 4.5226 4.5226 5.0926 5.0926 5.5190 5.5190 7.7176 7.7176 7.8264 7.8264 8.2921 8.2921 8.7284 8.7284 k = 0.0815 0.1411-0.0000 ( 7705 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9346 -36.9346 -36.9318 -36.9318 -36.9310 -36.9310 -29.7534 -29.7534 -12.5626 -12.5626 -11.4394 -11.4394 -11.4033 -11.4033 -3.7203 -3.7203 -2.8527 -2.8527 1.9109 1.9109 3.8771 3.8771 4.3796 4.3796 4.5691 4.5691 5.1535 5.1535 5.5547 5.5547 7.7035 7.7035 7.7758 7.7758 8.2709 8.2709 8.6974 8.6974 k = 0.0741 0.1283-0.0000 ( 7695 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7535 -29.7535 -12.5620 -12.5620 -11.4392 -11.4392 -11.4018 -11.4018 -3.7413 -3.7413 -2.8596 -2.8596 1.8826 1.8826 3.9642 3.9642 4.4600 4.4600 4.6278 4.6278 5.2155 5.2155 5.5888 5.5888 7.6827 7.6827 7.7188 7.7188 8.2507 8.2507 8.6761 8.6761 k = 0.0667 0.1155-0.0000 ( 7691 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7536 -29.7536 -12.5614 -12.5614 -11.4391 -11.4391 -11.4003 -11.4003 -3.7604 -3.7604 -2.8660 -2.8660 1.8566 1.8566 4.0478 4.0478 4.5191 4.5191 4.7018 4.7018 5.2791 5.2791 5.6214 5.6214 7.6411 7.6411 7.6703 7.6703 8.2303 8.2303 8.6619 8.6619 k = 0.0593 0.1026-0.0000 ( 7685 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7537 -29.7537 -12.5609 -12.5609 -11.4389 -11.4389 -11.3990 -11.3990 -3.7777 -3.7777 -2.8718 -2.8718 1.8331 1.8331 4.1265 4.1265 4.5625 4.5625 4.7836 4.7836 5.3450 5.3450 5.6523 5.6523 7.5743 7.5743 7.6367 7.6367 8.2084 8.2084 8.6504 8.6504 k = 0.0519 0.0898-0.0000 ( 7685 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7537 -29.7537 -12.5604 -12.5604 -11.4388 -11.4388 -11.3978 -11.3978 -3.7930 -3.7930 -2.8770 -2.8770 1.8122 1.8122 4.1985 4.1985 4.5982 4.5982 4.8636 4.8636 5.4137 5.4137 5.6813 5.6813 7.5028 7.5028 7.6000 7.6000 8.1840 8.1840 8.6356 8.6356 k = 0.0444 0.0770-0.0000 ( 7677 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7538 -29.7538 -12.5600 -12.5600 -11.4387 -11.4387 -11.3967 -11.3967 -3.8064 -3.8064 -2.8816 -2.8816 1.7940 1.7940 4.2619 4.2619 4.6305 4.6305 4.9358 4.9358 5.4851 5.4851 5.7080 5.7080 7.4321 7.4321 7.5577 7.5577 8.1568 8.1568 8.6131 8.6131 k = 0.0370 0.0642-0.0000 ( 7681 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7538 -29.7538 -12.5597 -12.5597 -11.4387 -11.4387 -11.3958 -11.3958 -3.8178 -3.8178 -2.8856 -2.8856 1.7785 1.7785 4.3154 4.3154 4.6615 4.6615 4.9969 4.9969 5.5579 5.5579 5.7320 5.7320 7.3655 7.3655 7.5103 7.5103 8.1280 8.1280 8.5837 8.5837 k = 0.0296 0.0513-0.0000 ( 7679 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5594 -12.5594 -11.4386 -11.4386 -11.3950 -11.3950 -3.8272 -3.8272 -2.8888 -2.8888 1.7657 1.7657 4.3579 4.3579 4.6909 4.6909 5.0460 5.0460 5.6289 5.6289 5.7529 5.7529 7.3059 7.3059 7.4601 7.4601 8.0998 8.0998 8.5523 8.5523 k = 0.0222 0.0385-0.0000 ( 7687 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5592 -12.5592 -11.4386 -11.4386 -11.3944 -11.3944 -3.8345 -3.8345 -2.8914 -2.8914 1.7557 1.7557 4.3896 4.3896 4.7175 4.7175 5.0830 5.0830 5.6936 5.6936 5.7698 5.7698 7.2561 7.2561 7.4113 7.4113 8.0749 8.0749 8.5240 8.5240 k = 0.0148 0.0257-0.0000 ( 7691 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7539 -29.7539 -12.5590 -12.5590 -11.4386 -11.4386 -11.3940 -11.3940 -3.8397 -3.8397 -2.8932 -2.8932 1.7486 1.7486 4.4112 4.4112 4.7391 4.7391 5.1086 5.1086 5.7462 5.7462 5.7824 5.7824 7.2185 7.2185 7.3695 7.3695 8.0558 8.0558 8.5006 8.5006 k = 0.0074 0.0128-0.0000 ( 7683 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2194 -37.2194 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5589 -12.5589 -11.4386 -11.4386 -11.3937 -11.3937 -3.8429 -3.8429 -2.8944 -2.8944 1.7443 1.7443 4.4236 4.4236 4.7531 4.7531 5.1236 5.1236 5.7808 5.7808 5.7902 5.7902 7.1951 7.1951 7.3411 7.3411 8.0438 8.0438 8.4855 8.4856 k = 0.0000 0.0000 0.0000 ( 7693 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4386 -11.4386 -11.3937 -11.3937 -3.8439 -3.8439 -2.8947 -2.8947 1.7429 1.7429 4.4276 4.4276 4.7580 4.7580 5.1285 5.1285 5.7928 5.7928 5.7929 5.7929 7.1872 7.1872 7.3310 7.3310 8.0397 8.0397 8.4805 8.4805 k = 0.0000 0.0000 0.0000 ( 7693 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4386 -11.4386 -11.3937 -11.3937 -3.8439 -3.8439 -2.8947 -2.8947 1.7429 1.7429 4.4276 4.4276 4.7580 4.7580 5.1285 5.1285 5.7928 5.7928 5.7929 5.7929 7.1872 7.1872 7.3310 7.3310 8.0397 8.0397 8.4805 8.4805 k = 0.0000 0.0000 0.0143 ( 7699 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4386 -11.4386 -11.3937 -11.3937 -3.8430 -3.8430 -2.8964 -2.8964 1.7465 1.7465 4.4286 4.4286 4.7590 4.7590 5.1237 5.1237 5.7807 5.7807 5.7907 5.7907 7.1855 7.1855 7.3476 7.3476 8.0418 8.0418 8.4803 8.4805 k = 0.0000 0.0000 0.0286 ( 7693 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4386 -11.4386 -11.3936 -11.3936 -3.8401 -3.8401 -2.9013 -2.9013 1.7574 1.7574 4.4313 4.4313 4.7619 4.7619 5.1089 5.1089 5.7464 5.7464 5.7839 5.7839 7.1824 7.1824 7.3932 7.3932 8.0483 8.0483 8.4795 8.4795 k = 0.0000 0.0000 0.0429 ( 7693 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4386 -11.4386 -11.3936 -11.3936 -3.8354 -3.8354 -2.9094 -2.9094 1.7754 1.7754 4.4359 4.4359 4.7669 4.7669 5.0835 5.0835 5.6947 5.6947 5.7727 5.7727 7.1805 7.1805 7.4600 7.4600 8.0602 8.0602 8.4774 8.4774 k = 0.0000 0.0000 0.0572 ( 7662 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2194 -37.2194 -36.9355 -36.9355 -36.9344 -36.9344 -36.9318 -36.9318 -36.9309 -36.9309 -29.7539 -29.7539 -12.5589 -12.5589 -11.4386 -11.4386 -11.3936 -11.3936 -3.8288 -3.8288 -2.9207 -2.9207 1.8006 1.8006 4.4423 4.4423 4.7738 4.7738 5.0465 5.0465 5.6319 5.6319 5.7574 5.7574 7.1804 7.1804 7.5400 7.5400 8.0797 8.0797 8.4735 8.4735 k = 0.0000 0.0000 0.0715 ( 7686 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2194 -37.2194 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5589 -12.5589 -11.4386 -11.4386 -11.3936 -11.3936 -3.8203 -3.8203 -2.9349 -2.9349 1.8326 1.8326 4.4505 4.4505 4.7826 4.7826 4.9968 4.9968 5.5643 5.5643 5.7381 5.7381 7.1819 7.1819 7.6247 7.6247 8.1105 8.1105 8.4670 8.4670 k = 0.0000 0.0000 0.0858 ( 7686 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2194 -37.2194 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5589 -12.5589 -11.4386 -11.4386 -11.3936 -11.3936 -3.8101 -3.8101 -2.9518 -2.9518 1.8713 1.8713 4.4603 4.4603 4.7933 4.7933 4.9337 4.9337 5.4970 5.4970 5.7154 5.7154 7.1847 7.1847 7.7048 7.7048 8.1579 8.1579 8.4576 8.4578 k = 0.0000 0.0000 0.1000 ( 7680 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2194 -37.2194 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5589 -12.5589 -11.4386 -11.4386 -11.3936 -11.3936 -3.7981 -3.7981 -2.9713 -2.9713 1.9164 1.9164 4.4716 4.4716 4.8060 4.8060 4.8572 4.8572 5.4333 5.4333 5.6894 5.6894 7.1885 7.1885 7.7718 7.7718 8.2272 8.2272 8.4453 8.4454 k = 0.0000 0.0000 0.1143 ( 7686 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2194 -37.2194 -36.9355 -36.9355 -36.9345 -36.9345 -36.9318 -36.9318 -36.9310 -36.9310 -29.7539 -29.7539 -12.5589 -12.5589 -11.4387 -11.4387 -11.3936 -11.3936 -3.7844 -3.7844 -2.9931 -2.9931 1.9677 1.9677 4.4840 4.4840 4.7692 4.7692 4.8205 4.8205 5.3746 5.3746 5.6606 5.6606 7.1930 7.1930 7.8217 7.8217 8.3198 8.3198 8.4292 8.4292 k = 0.0000 0.0000 0.1286 ( 7710 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4387 -11.4387 -11.3937 -11.3937 -3.7691 -3.7691 -3.0169 -3.0169 2.0248 2.0248 4.4958 4.4958 4.6733 4.6733 4.8369 4.8369 5.3209 5.3209 5.6295 5.6295 7.1982 7.1982 7.8564 7.8564 8.4114 8.4114 8.4115 8.4115 k = 0.0000 0.0000 0.1429 ( 7734 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4387 -11.4387 -11.3937 -11.3937 -3.7522 -3.7522 -3.0424 -3.0424 2.0874 2.0874 4.4959 4.4959 4.5831 4.5831 4.8550 4.8550 5.2713 5.2713 5.5964 5.5964 7.2038 7.2038 7.8802 7.8802 8.3928 8.3928 8.3964 8.3964 k = 0.0000 0.0000 0.1572 ( 7728 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4388 -11.4388 -11.3937 -11.3937 -3.7340 -3.7340 -3.0694 -3.0694 2.1550 2.1550 4.4290 4.4290 4.5564 4.5564 4.8748 4.8748 5.2248 5.2248 5.5617 5.5617 7.2097 7.2097 7.8968 7.8968 8.3741 8.3741 8.3788 8.3788 k = 0.0000 0.0000 0.1715 ( 7728 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5589 -12.5589 -11.4388 -11.4388 -11.3937 -11.3937 -3.7146 -3.7146 -3.0974 -3.0974 2.2272 2.2272 4.3208 4.3208 4.5695 4.5695 4.8963 4.8963 5.1807 5.1807 5.5258 5.5258 7.2157 7.2157 7.9087 7.9087 8.3557 8.3557 8.3615 8.3615 k = 0.0000 0.0000 0.1858 ( 7752 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4388 -11.4388 -11.3937 -11.3937 -3.6941 -3.6941 -3.1261 -3.1261 2.3034 2.3034 4.2059 4.2059 4.5894 4.5894 4.9194 4.9194 5.1384 5.1384 5.4891 5.4891 7.2216 7.2216 7.9174 7.9174 8.3383 8.3383 8.3450 8.3450 k = 0.0000 0.0000 0.2001 ( 7752 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4388 -11.4388 -11.3937 -11.3937 -3.6728 -3.6728 -3.1550 -3.1550 2.3829 2.3829 4.0899 4.0899 4.6120 4.6120 4.9439 4.9439 5.0975 5.0975 5.4519 5.4519 7.2274 7.2274 7.9239 7.9239 8.3223 8.3223 8.3297 8.3297 k = 0.0000 0.0000 0.2144 ( 7752 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4388 -11.4388 -11.3937 -11.3937 -3.6511 -3.6511 -3.1837 -3.1837 2.4648 2.4648 3.9753 3.9753 4.6365 4.6365 4.9696 4.9696 5.0578 5.0578 5.4148 5.4148 7.2328 7.2328 7.9287 7.9287 8.3079 8.3079 8.3159 8.3159 k = 0.0000 0.0000 0.2287 ( 7734 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3937 -11.3937 -3.6294 -3.6294 -3.2115 -3.2115 2.5477 2.5477 3.8640 3.8640 4.6624 4.6624 4.9963 4.9963 5.0193 5.0193 5.3781 5.3781 7.2376 7.2376 7.9324 7.9324 8.2954 8.2954 8.3039 8.3039 k = 0.0000 0.0000 0.2430 ( 7746 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3937 -11.3937 -3.6086 -3.6086 -3.2375 -3.2375 2.6296 2.6296 3.7584 3.7584 4.6893 4.6893 4.9822 4.9822 5.0236 5.0236 5.3424 5.3424 7.2419 7.2419 7.9350 7.9350 8.2849 8.2849 8.2938 8.2938 k = 0.0000 0.0000 0.2573 ( 7758 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3937 -11.3937 -3.5896 -3.5896 -3.2607 -3.2607 2.7072 2.7072 3.6623 3.6623 4.7166 4.7166 4.9470 4.9470 5.0506 5.0506 5.3087 5.3087 7.2453 7.2453 7.9368 7.9368 8.2767 8.2767 8.2858 8.2858 k = 0.0000 0.0000 0.2715 ( 7770 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3937 -11.3937 -3.5738 -3.5738 -3.2794 -3.2794 2.7746 2.7746 3.5815 3.5815 4.7432 4.7432 4.9149 4.9149 5.0757 5.0757 5.2788 5.2788 7.2478 7.2478 7.9380 7.9380 8.2707 8.2707 8.2801 8.2801 k = 0.0000 0.0000 0.2858 ( 7770 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3937 -11.3937 -3.5632 -3.5632 -3.2919 -3.2919 2.8229 2.8229 3.5251 3.5251 4.7656 4.7656 4.8891 4.8891 5.0954 5.0954 5.2562 5.2562 7.2494 7.2494 7.9387 7.9387 8.2671 8.2671 8.2766 8.2766 k = 0.0000 0.0000 0.3001 ( 7788 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9346 -36.9346 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3937 -11.3937 -3.5594 -3.5594 -3.2963 -3.2963 2.8409 2.8409 3.5044 3.5044 4.7756 4.7756 4.8780 4.8780 5.1034 5.1034 5.2472 5.2472 7.2499 7.2499 7.9389 7.9389 8.2659 8.2659 8.2754 8.2754 k = 0.0000 0.0000 0.3001 ( 7788 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9346 -36.9346 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3937 -11.3937 -3.5594 -3.5594 -3.2963 -3.2963 2.8409 2.8409 3.5044 3.5044 4.7756 4.7756 4.8780 4.8780 5.1034 5.1034 5.2472 5.2472 7.2499 7.2499 7.9389 7.9389 8.2659 8.2659 8.2754 8.2754 k = 0.0128 0.0074 0.3001 ( 7782 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9346 -36.9346 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3938 -11.3938 -3.5587 -3.5587 -3.2954 -3.2954 2.8402 2.8402 3.5043 3.5043 4.7726 4.7726 4.8712 4.8712 5.1022 5.1022 5.2415 5.2415 7.2602 7.2602 7.9401 7.9401 8.2702 8.2702 8.2802 8.2802 k = 0.0256 0.0148 0.3001 ( 7766 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5591 -12.5591 -11.4389 -11.4389 -11.3940 -11.3940 -3.5565 -3.5565 -3.2927 -3.2927 2.8382 2.8382 3.5039 3.5039 4.7634 4.7634 4.8512 4.8512 5.0982 5.0982 5.2253 5.2253 7.2903 7.2903 7.9438 7.9438 8.2830 8.2830 8.2946 8.2946 k = 0.0385 0.0222 0.3001 ( 7762 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7539 -29.7539 -12.5593 -12.5593 -11.4389 -11.4389 -11.3945 -11.3945 -3.5529 -3.5529 -3.2882 -3.2882 2.8347 2.8347 3.5029 3.5029 4.7475 4.7475 4.8195 4.8195 5.0904 5.0904 5.2013 5.2013 7.3374 7.3374 7.9502 7.9502 8.3038 8.3038 8.3186 8.3186 k = 0.0513 0.0296 0.3001 ( 7760 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7539 -29.7539 -12.5595 -12.5595 -11.4390 -11.4390 -11.3951 -11.3951 -3.5479 -3.5479 -3.2820 -3.2820 2.8298 2.8298 3.5011 3.5011 4.7235 4.7235 4.7791 4.7791 5.0765 5.0765 5.1743 5.1743 7.3968 7.3968 7.9607 7.9607 8.3322 8.3322 8.3517 8.3517 k = 0.0641 0.0370 0.3001 ( 7748 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7539 -29.7539 -12.5598 -12.5598 -11.4390 -11.4390 -11.3958 -11.3958 -3.5414 -3.5414 -3.2740 -3.2740 2.8234 2.8234 3.4977 3.4977 4.6869 4.6869 4.7367 4.7367 5.0528 5.0528 5.1501 5.1501 7.4625 7.4625 7.9776 7.9776 8.3679 8.3679 8.3927 8.3927 k = 0.0769 0.0444 0.3001 ( 7732 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7538 -29.7538 -12.5601 -12.5601 -11.4391 -11.4391 -11.3967 -11.3967 -3.5336 -3.5336 -3.2644 -3.2644 2.8154 2.8154 3.4922 3.4922 4.6347 4.6347 4.6981 4.6981 5.0181 5.0181 5.1319 5.1319 7.5263 7.5263 8.0055 8.0055 8.4103 8.4103 8.4399 8.4399 k = 0.0897 0.0518 0.3001 ( 7732 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7537 -29.7537 -12.5605 -12.5605 -11.4391 -11.4391 -11.3978 -11.3978 -3.5244 -3.5244 -3.2531 -3.2531 2.8057 2.8057 3.4835 3.4835 4.5726 4.5726 4.6610 4.6610 4.9754 4.9754 5.1185 5.1185 7.5793 7.5793 8.0503 8.0503 8.4584 8.4584 8.4911 8.4911 k = 0.1026 0.0592 0.3001 ( 7724 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7537 -29.7537 -12.5610 -12.5610 -11.4392 -11.4392 -11.3990 -11.3990 -3.5138 -3.5138 -3.2402 -3.2402 2.7942 2.7942 3.4703 3.4703 4.5072 4.5072 4.6224 4.6224 4.9282 4.9282 5.1075 5.1075 7.6147 7.6147 8.1154 8.1154 8.5106 8.5106 8.5442 8.5442 k = 0.1154 0.0666 0.3001 ( 7718 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7536 -29.7536 -12.5615 -12.5615 -11.4394 -11.4394 -11.4003 -11.4003 -3.5020 -3.5020 -3.2258 -3.2258 2.7807 2.7807 3.4511 3.4511 4.4428 4.4428 4.5813 4.5813 4.8791 4.8791 5.0975 5.0975 7.6310 7.6310 8.1986 8.1986 8.5628 8.5628 8.5991 8.5991 k = 0.1282 0.0740 0.3001 ( 7722 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9310 -36.9310 -29.7535 -29.7535 -12.5620 -12.5620 -11.4395 -11.4395 -11.4017 -11.4017 -3.4888 -3.4888 -3.2099 -3.2099 2.7652 2.7652 3.4245 3.4245 4.3830 4.3830 4.5381 4.5381 4.8295 4.8295 5.0877 5.0877 7.6315 7.6315 8.2915 8.2915 8.6068 8.6068 8.6589 8.6589 k = 0.1410 0.0814 0.3001 ( 7722 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9310 -36.9310 -29.7534 -29.7534 -12.5627 -12.5627 -11.4397 -11.4397 -11.4032 -11.4032 -3.4744 -3.4744 -3.1926 -3.1926 2.7476 2.7476 3.3891 3.3891 4.3304 4.3304 4.4932 4.4932 4.7803 4.7803 5.0777 5.0777 7.6199 7.6199 8.3791 8.3791 8.6371 8.6371 8.7255 8.7255 k = 0.1538 0.0888 0.3001 ( 7722 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7533 -29.7533 -12.5633 -12.5633 -11.4400 -11.4400 -11.4048 -11.4048 -3.4589 -3.4589 -3.1741 -3.1741 2.7276 2.7276 3.3441 3.3441 4.2865 4.2865 4.4475 4.4475 4.7320 4.7320 5.0676 5.0676 7.5996 7.5996 8.4364 8.4364 8.6568 8.6568 8.7966 8.7966 k = 0.1667 0.0962 0.3001 ( 7726 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7532 -29.7532 -12.5640 -12.5640 -11.4403 -11.4403 -11.4064 -11.4064 -3.4422 -3.4422 -3.1543 -3.1543 2.7051 2.7051 3.2893 3.2893 4.2519 4.2519 4.4023 4.4023 4.6851 4.6851 5.0571 5.0571 7.5726 7.5726 8.4400 8.4400 8.6693 8.6693 8.8689 8.8689 k = 0.1795 0.1036 0.3001 ( 7730 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2228 -37.2228 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7531 -29.7531 -12.5647 -12.5647 -11.4406 -11.4406 -11.4080 -11.4080 -3.4244 -3.4244 -3.1335 -3.1335 2.6802 2.6802 3.2254 3.2254 4.2255 4.2255 4.3591 4.3591 4.6397 4.6397 5.0465 5.0465 7.5405 7.5405 8.4032 8.4032 8.6665 8.6665 8.9442 8.9442 k = 0.1923 0.1110 0.3001 ( 7746 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7530 -29.7530 -12.5655 -12.5655 -11.4411 -11.4411 -11.4096 -11.4096 -3.4057 -3.4057 -3.1116 -3.1116 2.6527 2.6527 3.1539 3.1539 4.2045 4.2045 4.3206 4.3206 4.5961 4.5961 5.0357 5.0357 7.5044 7.5044 8.3503 8.3503 8.6470 8.6470 9.0190 9.0190 k = 0.2051 0.1184 0.3001 ( 7752 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7529 -29.7529 -12.5663 -12.5663 -11.4416 -11.4416 -11.4112 -11.4112 -3.3860 -3.3860 -3.0890 -3.0890 2.6226 2.6226 3.0765 3.0765 4.1840 4.1840 4.2908 4.2908 4.5546 4.5546 5.0248 5.0248 7.4654 7.4654 8.2935 8.2935 8.6135 8.6135 9.0210 9.0210 k = 0.2179 0.1258 0.3001 ( 7740 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7528 -29.7528 -12.5671 -12.5671 -11.4423 -11.4423 -11.4127 -11.4127 -3.3655 -3.3655 -3.0655 -3.0655 2.5900 2.5900 2.9948 2.9948 4.1587 4.1587 4.2736 4.2736 4.5153 4.5153 5.0139 5.0139 7.4243 7.4243 8.2377 8.2377 8.5675 8.5675 8.9468 8.9468 k = 0.2308 0.1332 0.3001 ( 7736 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2226 -37.2226 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7527 -29.7527 -12.5679 -12.5679 -11.4430 -11.4430 -11.4141 -11.4141 -3.3443 -3.3443 -3.0416 -3.0416 2.5549 2.5549 2.9104 2.9104 4.1281 4.1281 4.2684 4.2684 4.4789 4.4789 5.0031 5.0031 7.3819 7.3819 8.1851 8.1851 8.5103 8.5103 8.8758 8.8758 k = 0.2436 0.1406 0.3001 ( 7724 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2226 -37.2226 -37.2200 -37.2200 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7525 -29.7525 -12.5687 -12.5687 -11.4439 -11.4439 -11.4154 -11.4154 -3.3224 -3.3224 -3.0171 -3.0171 2.5176 2.5176 2.8247 2.8247 4.0948 4.0948 4.2705 4.2705 4.4465 4.4465 4.9926 4.9926 7.3390 7.3390 8.1365 8.1365 8.4431 8.4431 8.8118 8.8118 k = 0.2564 0.1480 0.3001 ( 7732 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2226 -37.2226 -37.2200 -37.2200 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7524 -29.7524 -12.5696 -12.5696 -11.4449 -11.4449 -11.4166 -11.4166 -3.3000 -3.3000 -2.9924 -2.9924 2.4782 2.4782 2.7389 2.7389 4.0614 4.0614 4.2745 4.2745 4.4199 4.4199 4.9825 4.9825 7.2963 7.2963 8.0923 8.0923 8.3681 8.3681 8.7546 8.7546 k = 0.2692 0.1554 0.3001 ( 7728 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2201 -37.2201 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7523 -29.7523 -12.5704 -12.5704 -11.4460 -11.4460 -11.4176 -11.4176 -3.2772 -3.2772 -2.9675 -2.9675 2.4370 2.4370 2.6540 2.6540 4.0292 4.0292 4.2749 4.2749 4.4027 4.4027 4.9729 4.9729 7.2546 7.2546 8.0525 8.0525 8.2876 8.2876 8.7034 8.7034 k = 0.2821 0.1628 0.3001 ( 7728 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2201 -37.2201 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7522 -29.7522 -12.5713 -12.5713 -11.4472 -11.4472 -11.4186 -11.4186 -3.2542 -3.2542 -2.9426 -2.9426 2.3942 2.3942 2.5708 2.5708 3.9988 3.9988 4.2672 4.2672 4.3980 4.3980 4.9640 4.9640 7.2144 7.2144 8.0170 8.0170 8.2041 8.2041 8.6567 8.6567 k = 0.2949 0.1702 0.3001 ( 7736 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2202 -37.2202 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7521 -29.7521 -12.5721 -12.5721 -11.4484 -11.4484 -11.4194 -11.4194 -3.2310 -3.2310 -2.9180 -2.9180 2.3503 2.3503 2.4901 2.4901 3.9705 3.9705 4.2514 4.2514 4.4049 4.4049 4.9560 4.9560 7.1762 7.1762 7.9857 7.9857 8.1196 8.1196 8.6136 8.6136 k = 0.3077 0.1776 0.3001 ( 7738 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2202 -37.2202 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7520 -29.7520 -12.5729 -12.5729 -11.4498 -11.4498 -11.4201 -11.4201 -3.2078 -3.2078 -2.8937 -2.8937 2.3053 2.3053 2.4125 2.4125 3.9443 3.9443 4.2310 4.2310 4.4190 4.4190 4.9489 4.9489 7.1404 7.1404 7.9580 7.9580 8.0361 8.0361 8.5733 8.5733 k = 0.3205 0.1850 0.3001 ( 7740 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2203 -37.2203 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7519 -29.7519 -12.5737 -12.5737 -11.4512 -11.4512 -11.4206 -11.4206 -3.1849 -3.1849 -2.8700 -2.8700 2.2595 2.2595 2.3391 2.3391 3.9203 3.9203 4.2092 4.2092 4.4367 4.4367 4.9430 4.9430 7.1074 7.1074 7.9284 7.9284 7.9598 7.9598 8.5352 8.5352 k = 0.3333 0.1925 0.3001 ( 7744 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2223 -37.2223 -37.2203 -37.2203 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7518 -29.7518 -12.5745 -12.5745 -11.4526 -11.4526 -11.4211 -11.4211 -3.1623 -3.1623 -2.8470 -2.8470 2.2125 2.2125 2.2708 2.2708 3.8983 3.8983 4.1874 4.1874 4.4558 4.4558 4.9384 4.9384 7.0773 7.0773 7.8645 7.8645 7.9241 7.9241 8.4989 8.4989 k = 0.3462 0.1999 0.3001 ( 7742 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2223 -37.2223 -37.2204 -37.2204 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7517 -29.7517 -12.5752 -12.5752 -11.4540 -11.4540 -11.4215 -11.4215 -3.1402 -3.1402 -2.8248 -2.8248 2.1633 2.1633 2.2097 2.2097 3.8784 3.8784 4.1667 4.1667 4.4750 4.4750 4.9352 4.9352 7.0503 7.0503 7.7881 7.7881 7.9078 7.9078 8.4642 8.4642 k = 0.3590 0.2073 0.3001 ( 7742 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2223 -37.2223 -37.2204 -37.2204 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7516 -29.7516 -12.5759 -12.5759 -11.4554 -11.4554 -11.4218 -11.4218 -3.1189 -3.1189 -2.8038 -2.8038 2.1113 2.1113 2.1570 2.1570 3.8602 3.8602 4.1473 4.1473 4.4935 4.4935 4.9335 4.9335 7.0264 7.0264 7.7138 7.7138 7.8967 7.8967 8.4309 8.4309 k = 0.3718 0.2147 0.3001 ( 7744 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2222 -37.2222 -37.2205 -37.2205 -36.9356 -36.9356 -36.9346 -36.9346 -36.9322 -36.9322 -36.9311 -36.9311 -29.7515 -29.7515 -12.5765 -12.5765 -11.4567 -11.4567 -11.4220 -11.4220 -3.0985 -3.0985 -2.7840 -2.7840 2.0584 2.0584 2.1116 2.1116 3.8439 3.8439 4.1295 4.1295 4.5106 4.5106 4.9334 4.9334 7.0058 7.0058 7.6430 7.6430 7.8896 7.8896 8.3990 8.3990 k = 0.3846 0.2221 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2222 -37.2222 -37.2205 -37.2205 -36.9356 -36.9356 -36.9346 -36.9346 -36.9322 -36.9322 -36.9311 -36.9311 -29.7514 -29.7514 -12.5771 -12.5771 -11.4580 -11.4580 -11.4222 -11.4222 -3.0792 -3.0792 -2.7655 -2.7655 2.0077 2.0077 2.0712 2.0712 3.8292 3.8292 4.1133 4.1133 4.5260 4.5260 4.9346 4.9346 6.9883 6.9883 7.5766 7.5766 7.8861 7.8861 8.3684 8.3684 k = 0.3974 0.2295 0.3001 ( 7728 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2221 -37.2221 -37.2206 -37.2206 -36.9356 -36.9356 -36.9345 -36.9345 -36.9322 -36.9322 -36.9311 -36.9311 -29.7513 -29.7513 -12.5777 -12.5777 -11.4591 -11.4591 -11.4224 -11.4224 -3.0613 -3.0613 -2.7486 -2.7486 1.9607 1.9607 2.0348 2.0348 3.8161 3.8161 4.0990 4.0990 4.5395 4.5395 4.9371 4.9371 6.9740 6.9740 7.5149 7.5149 7.8858 7.8858 8.3391 8.3391 k = 0.4103 0.2369 0.3001 ( 7738 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2221 -37.2221 -37.2206 -37.2206 -36.9356 -36.9356 -36.9345 -36.9345 -36.9322 -36.9322 -36.9311 -36.9311 -29.7513 -29.7513 -12.5782 -12.5782 -11.4602 -11.4602 -11.4225 -11.4225 -3.0449 -3.0449 -2.7334 -2.7334 1.9184 1.9184 2.0020 2.0020 3.8046 3.8046 4.0864 4.0864 4.5510 4.5510 4.9407 4.9407 6.9625 6.9625 7.4584 7.4584 7.8884 7.8884 8.3113 8.3113 k = 0.4231 0.2443 0.3001 ( 7734 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2221 -37.2221 -37.2206 -37.2206 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7512 -29.7512 -12.5786 -12.5786 -11.4612 -11.4612 -11.4226 -11.4226 -3.0302 -3.0302 -2.7199 -2.7199 1.8813 1.8813 1.9730 1.9730 3.7947 3.7947 4.0755 4.0755 4.5605 4.5605 4.9449 4.9449 6.9538 6.9538 7.4077 7.4077 7.8934 7.8934 8.2852 8.2852 k = 0.4359 0.2517 0.3001 ( 7742 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7511 -29.7511 -12.5790 -12.5790 -11.4620 -11.4620 -11.4227 -11.4227 -3.0175 -3.0175 -2.7084 -2.7084 1.8495 1.8495 1.9479 1.9479 3.7863 3.7863 4.0664 4.0664 4.5682 4.5682 4.9495 4.9495 6.9475 6.9475 7.3632 7.3632 7.9001 7.9001 8.2611 8.2611 k = 0.4487 0.2591 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7511 -29.7511 -12.5793 -12.5793 -11.4627 -11.4627 -11.4227 -11.4227 -3.0068 -3.0068 -2.6988 -2.6988 1.8233 1.8233 1.9270 1.9270 3.7794 3.7794 4.0590 4.0590 4.5741 4.5741 4.9539 4.9539 6.9434 6.9434 7.3255 7.3255 7.9079 7.9079 8.2396 8.2396 k = 0.4615 0.2665 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7511 -29.7511 -12.5796 -12.5796 -11.4632 -11.4632 -11.4228 -11.4228 -2.9983 -2.9983 -2.6913 -2.6913 1.8029 1.8029 1.9105 1.9105 3.7741 3.7741 4.0533 4.0533 4.5785 4.5785 4.9578 4.9578 6.9410 6.9410 7.2951 7.2951 7.9158 7.9158 8.2213 8.2213 k = 0.4744 0.2739 0.3001 ( 7744 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5797 -12.5797 -11.4636 -11.4636 -11.4228 -11.4228 -2.9921 -2.9921 -2.6859 -2.6859 1.7882 1.7882 1.8986 1.8986 3.7702 3.7702 4.0492 4.0492 4.5815 4.5815 4.9609 4.9609 6.9398 6.9398 7.2729 7.2729 7.9226 7.9226 8.2071 8.2071 k = 0.4872 0.2813 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5798 -12.5798 -11.4638 -11.4638 -11.4228 -11.4228 -2.9884 -2.9884 -2.6826 -2.6826 1.7793 1.7793 1.8914 1.8914 3.7679 3.7679 4.0468 4.0468 4.5832 4.5832 4.9628 4.9628 6.9393 6.9393 7.2592 7.2592 7.9273 7.9273 8.1981 8.1981 k = 0.5000 0.2887 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9872 -2.9872 -2.6815 -2.6815 1.7764 1.7764 1.8890 1.8890 3.7672 3.7672 4.0460 4.0460 4.5838 4.5838 4.9635 4.9635 6.9392 6.9392 7.2546 7.2546 7.9290 7.9290 8.1950 8.1950 k = 0.5000 0.2887 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9872 -2.9872 -2.6815 -2.6815 1.7764 1.7764 1.8890 1.8890 3.7672 3.7672 4.0460 4.0460 4.5838 4.5838 4.9635 4.9635 6.9392 6.9392 7.2546 7.2546 7.9290 7.9290 8.1950 8.1950 k = 0.4928 0.3012 0.3001 ( 7740 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4229 -11.4229 -2.9866 -2.9866 -2.6816 -2.6816 1.7776 1.7776 1.8898 1.8898 3.7655 3.7655 4.0422 4.0422 4.5806 4.5806 4.9579 4.9579 6.9445 6.9445 7.2617 7.2617 7.9371 7.9371 8.1945 8.1945 k = 0.4855 0.3138 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4638 -11.4638 -11.4231 -11.4231 -2.9847 -2.9847 -2.6817 -2.6817 1.7811 1.7811 1.8922 1.8922 3.7601 3.7601 4.0312 4.0312 4.5709 4.5709 4.9421 4.9421 6.9599 6.9599 7.2830 7.2830 7.9612 7.9612 8.1932 8.1932 k = 0.4783 0.3263 0.3001 ( 7744 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9344 -36.9344 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5800 -12.5800 -11.4636 -11.4636 -11.4234 -11.4234 -2.9816 -2.9816 -2.6819 -2.6819 1.7868 1.7868 1.8962 1.8962 3.7503 3.7503 4.0143 4.0143 4.5540 4.5540 4.9180 4.9180 6.9840 6.9840 7.3173 7.3173 8.0014 8.0014 8.1916 8.1916 k = 0.4710 0.3389 0.3001 ( 7744 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9344 -36.9344 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5800 -12.5800 -11.4634 -11.4634 -11.4238 -11.4238 -2.9774 -2.9774 -2.6821 -2.6821 1.7949 1.7949 1.9017 1.9017 3.7348 3.7348 3.9936 3.9936 4.5294 4.5294 4.8886 4.8886 7.0150 7.0150 7.3633 7.3633 8.0571 8.0571 8.1908 8.1908 k = 0.4638 0.3514 0.3001 ( 7752 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9344 -36.9344 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5801 -12.5801 -11.4631 -11.4631 -11.4244 -11.4244 -2.9719 -2.9719 -2.6825 -2.6825 1.8050 1.8050 1.9088 1.9088 3.7120 3.7120 3.9711 3.9711 4.4968 4.4968 4.8567 4.8567 7.0510 7.0510 7.4186 7.4186 8.1278 8.1278 8.1923 8.1923 k = 0.4565 0.3640 0.3001 ( 7744 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9344 -36.9344 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5802 -12.5802 -11.4627 -11.4627 -11.4251 -11.4251 -2.9653 -2.9653 -2.6831 -2.6831 1.8172 1.8172 1.9175 1.9175 3.6809 3.6809 3.9484 3.9484 4.4569 4.4569 4.8250 4.8250 7.0902 7.0902 7.4805 7.4805 8.1940 8.1940 8.2164 8.2164 k = 0.4493 0.3765 0.3001 ( 7732 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9343 -36.9343 -36.9324 -36.9324 -36.9310 -36.9310 -29.7510 -29.7510 -12.5803 -12.5803 -11.4623 -11.4623 -11.4259 -11.4259 -2.9577 -2.9577 -2.6838 -2.6838 1.8313 1.8313 1.9277 1.9277 3.6414 3.6414 3.9257 3.9257 4.4119 4.4119 4.7947 4.7947 7.1314 7.1314 7.5451 7.5451 8.2075 8.2075 8.3128 8.3128 k = 0.4420 0.3891 0.3001 ( 7732 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9357 -36.9357 -36.9343 -36.9343 -36.9325 -36.9325 -36.9310 -36.9310 -29.7509 -29.7509 -12.5804 -12.5804 -11.4618 -11.4618 -11.4267 -11.4267 -2.9490 -2.9490 -2.6847 -2.6847 1.8471 1.8471 1.9394 1.9394 3.5944 3.5944 3.9018 3.9018 4.3650 4.3650 4.7663 4.7663 7.1738 7.1738 7.6080 7.6080 8.2291 8.2291 8.4226 8.4226 k = 0.4348 0.4016 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2209 -37.2209 -36.9357 -36.9357 -36.9343 -36.9343 -36.9325 -36.9325 -36.9310 -36.9310 -29.7509 -29.7509 -12.5805 -12.5805 -11.4613 -11.4613 -11.4277 -11.4277 -2.9393 -2.9393 -2.6859 -2.6859 1.8642 1.8642 1.9526 1.9526 3.5415 3.5415 3.8739 3.8739 4.3206 4.3206 4.7396 4.7396 7.2168 7.2168 7.6642 7.6642 8.2640 8.2640 8.5422 8.5422 k = 0.4275 0.4142 0.3001 ( 7740 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2209 -37.2209 -36.9358 -36.9358 -36.9342 -36.9342 -36.9325 -36.9325 -36.9310 -36.9310 -29.7509 -29.7509 -12.5807 -12.5807 -11.4608 -11.4608 -11.4287 -11.4287 -2.9288 -2.9288 -2.6874 -2.6874 1.8825 1.8825 1.9673 1.9673 3.4846 3.4846 3.8395 3.8395 4.2829 4.2829 4.7140 4.7140 7.2602 7.2602 7.7094 7.7094 8.3148 8.3148 8.6697 8.6697 k = 0.4203 0.4267 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2209 -37.2209 -36.9358 -36.9358 -36.9342 -36.9342 -36.9326 -36.9326 -36.9310 -36.9310 -29.7509 -29.7509 -12.5808 -12.5808 -11.4601 -11.4601 -11.4298 -11.4298 -2.9174 -2.9174 -2.6892 -2.6892 1.9015 1.9015 1.9835 1.9835 3.4253 3.4253 3.7971 3.7971 4.2546 4.2546 4.6890 4.6890 7.3038 7.3038 7.7419 7.7419 8.3819 8.3819 8.8029 8.8029 k = 0.4130 0.4393 0.3001 ( 7732 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2218 -37.2218 -37.2210 -37.2210 -36.9358 -36.9358 -36.9341 -36.9341 -36.9326 -36.9326 -36.9310 -36.9310 -29.7508 -29.7508 -12.5809 -12.5809 -11.4595 -11.4595 -11.4309 -11.4309 -2.9053 -2.9053 -2.6915 -2.6915 1.9208 1.9208 2.0011 2.0011 3.3650 3.3650 3.7467 3.7467 4.2369 4.2369 4.6645 4.6645 7.3475 7.3475 7.7624 7.7624 8.4623 8.4623 8.9393 8.9393 k = 0.4058 0.4518 0.3001 ( 7738 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2218 -37.2218 -37.2210 -37.2210 -36.9358 -36.9358 -36.9341 -36.9341 -36.9327 -36.9327 -36.9310 -36.9310 -29.7508 -29.7508 -12.5811 -12.5811 -11.4588 -11.4588 -11.4321 -11.4321 -2.8926 -2.8926 -2.6942 -2.6942 1.9398 1.9398 2.0202 2.0202 3.3051 3.3051 3.6905 3.6905 4.2287 4.2287 4.6400 4.6400 7.3911 7.3911 7.7733 7.7733 8.5513 8.5513 9.0754 9.0754 k = 0.3986 0.4644 0.3001 ( 7722 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2210 -37.2210 -36.9358 -36.9358 -36.9340 -36.9340 -36.9327 -36.9327 -36.9309 -36.9309 -29.7508 -29.7508 -12.5812 -12.5812 -11.4582 -11.4582 -11.4333 -11.4333 -2.8794 -2.8794 -2.6974 -2.6974 1.9582 1.9582 2.0404 2.0404 3.2466 3.2466 3.6312 3.6312 4.2285 4.2285 4.6156 4.6156 7.4342 7.4342 7.7771 7.7771 8.6437 8.6437 9.2061 9.2061 k = 0.3913 0.4769 0.3001 ( 7730 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2210 -37.2210 -36.9358 -36.9358 -36.9340 -36.9340 -36.9327 -36.9327 -36.9309 -36.9309 -29.7508 -29.7508 -12.5814 -12.5814 -11.4575 -11.4575 -11.4344 -11.4344 -2.8658 -2.8658 -2.7012 -2.7012 1.9756 1.9756 2.0615 2.0615 3.1905 3.1905 3.5716 3.5716 4.2344 4.2344 4.5911 4.5911 7.4766 7.4766 7.7760 7.7760 8.7341 8.7341 9.3213 9.3213 k = 0.3841 0.4895 0.3001 ( 7736 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2211 -37.2211 -36.9358 -36.9358 -36.9340 -36.9340 -36.9328 -36.9328 -36.9309 -36.9309 -29.7507 -29.7507 -12.5815 -12.5815 -11.4568 -11.4568 -11.4355 -11.4355 -2.8519 -2.8519 -2.7056 -2.7056 1.9915 1.9915 2.0829 2.0829 3.1377 3.1377 3.5140 3.5140 4.2449 4.2449 4.5667 4.5667 7.5177 7.5177 7.7717 7.7717 8.8177 8.8177 9.4029 9.4029 k = 0.3768 0.5020 0.3001 ( 7744 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2211 -37.2211 -36.9359 -36.9359 -36.9339 -36.9339 -36.9328 -36.9328 -36.9309 -36.9309 -29.7507 -29.7507 -12.5816 -12.5816 -11.4562 -11.4562 -11.4366 -11.4366 -2.8379 -2.8379 -2.7108 -2.7108 2.0058 2.0058 2.1039 2.1039 3.0892 3.0892 3.4605 3.4605 4.2588 4.2588 4.5424 4.5424 7.5569 7.5569 7.7652 7.7652 8.8906 8.8906 9.4357 9.4357 k = 0.3696 0.5146 0.3001 ( 7730 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2212 -37.2212 -36.9358 -36.9358 -36.9339 -36.9339 -36.9328 -36.9328 -36.9309 -36.9309 -29.7507 -29.7507 -12.5818 -12.5818 -11.4556 -11.4556 -11.4376 -11.4376 -2.8240 -2.8240 -2.7167 -2.7167 2.0181 2.0181 2.1237 2.1237 3.0460 3.0460 3.4128 3.4128 4.2752 4.2752 4.5185 4.5185 7.5934 7.5934 7.7573 7.7573 8.9501 8.9501 9.4308 9.4308 k = 0.3623 0.5271 0.3001 ( 7746 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2212 -37.2212 -36.9359 -36.9359 -36.9339 -36.9339 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5819 -12.5819 -11.4551 -11.4551 -11.4384 -11.4384 -2.8102 -2.8102 -2.7234 -2.7234 2.0283 2.0283 2.1413 2.1413 3.0089 3.0089 3.3722 3.3722 4.2931 4.2931 4.4951 4.4951 7.6266 7.6266 7.7486 7.7486 8.9952 8.9952 9.4101 9.4101 k = 0.3551 0.5397 0.3001 ( 7754 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5820 -12.5820 -11.4547 -11.4547 -11.4391 -11.4391 -2.7967 -2.7967 -2.7310 -2.7310 2.0362 2.0362 2.1558 2.1558 2.9789 2.9789 3.3397 3.3397 4.3118 4.3118 4.4729 4.4729 7.6555 7.6555 7.7394 7.7394 9.0265 9.0265 9.3871 9.3871 k = 0.3478 0.5522 0.3001 ( 7758 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5820 -12.5820 -11.4543 -11.4543 -11.4396 -11.4396 -2.7838 -2.7838 -2.7395 -2.7395 2.0417 2.0417 2.1665 2.1665 2.9569 2.9569 3.3163 3.3163 4.3297 4.3297 4.4527 4.4527 7.6793 7.6793 7.7300 7.7300 9.0460 9.0460 9.3679 9.3679 k = 0.3406 0.5648 0.3001 ( 7750 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4399 -11.4399 -2.7716 -2.7716 -2.7489 -2.7489 2.0449 2.0449 2.1729 2.1729 2.9436 2.9436 3.3021 3.3021 4.3443 4.3443 4.4370 4.4370 7.6972 7.6972 7.7209 7.7209 9.0559 9.0559 9.3555 9.3555 k = 0.3333 0.5774 0.3001 ( 7746 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7626 -2.7626 -2.7570 -2.7570 2.0459 2.0459 2.1750 2.1750 2.9391 2.9391 3.2975 3.2975 4.3504 4.3504 4.4306 4.4306 7.7061 7.7061 7.7149 7.7149 9.0587 9.0587 9.3513 9.3513 k = 0.3333 0.5774 0.3001 ( 7746 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7626 -2.7626 -2.7570 -2.7570 2.0459 2.0459 2.1750 2.1750 2.9391 2.9391 3.2975 3.2975 4.3504 4.3504 4.4306 4.4306 7.7061 7.7061 7.7149 7.7149 9.0587 9.0587 9.3513 9.3513 k = 0.3259 0.5645 0.3001 ( 7760 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4399 -11.4399 -2.7720 -2.7720 -2.7487 -2.7487 2.0450 2.0450 2.1731 2.1731 2.9437 2.9437 3.3022 3.3022 4.3441 4.3441 4.4370 4.4370 7.6999 7.6999 7.7182 7.7182 9.0565 9.0565 9.3555 9.3555 k = 0.3185 0.5517 0.3001 ( 7752 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5820 -12.5820 -11.4543 -11.4543 -11.4396 -11.4396 -2.7847 -2.7847 -2.7393 -2.7393 2.0425 2.0425 2.1680 2.1680 2.9567 2.9567 3.3162 3.3162 4.3296 4.3296 4.4522 4.4522 7.6911 7.6911 7.7185 7.7185 9.0511 9.0511 9.3674 9.3674 k = 0.3111 0.5389 0.3001 ( 7748 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2215 -37.2215 -37.2212 -37.2212 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5819 -12.5819 -11.4545 -11.4545 -11.4392 -11.4392 -2.7988 -2.7988 -2.7311 -2.7311 2.0391 2.0391 2.1611 2.1611 2.9776 2.9776 3.3386 3.3386 4.3120 4.3120 4.4705 4.4705 7.6825 7.6825 7.7140 7.7140 9.0442 9.0442 9.3845 9.3845 k = 0.3037 0.5260 0.3001 ( 7744 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2212 -37.2212 -36.9359 -36.9359 -36.9339 -36.9339 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5818 -12.5818 -11.4547 -11.4547 -11.4386 -11.4386 -2.8140 -2.8140 -2.7245 -2.7245 2.0354 2.0354 2.1536 2.1536 3.0051 3.0051 3.3687 3.3687 4.2935 4.2935 4.4896 4.4896 7.6744 7.6744 7.7057 7.7057 9.0371 9.0371 9.4027 9.4027 k = 0.2963 0.5132 0.3001 ( 7736 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2216 -37.2216 -37.2211 -37.2211 -36.9359 -36.9359 -36.9339 -36.9339 -36.9328 -36.9328 -36.9309 -36.9309 -29.7507 -29.7507 -12.5816 -12.5816 -11.4549 -11.4549 -11.4380 -11.4380 -2.8303 -2.8303 -2.7195 -2.7195 2.0320 2.0320 2.1466 2.1466 3.0383 3.0383 3.4057 3.4057 4.2753 4.2753 4.5080 4.5080 7.6668 7.6668 7.6948 7.6948 9.0307 9.0307 9.4157 9.4157 k = 0.2889 0.5004 0.3001 ( 7740 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2211 -37.2211 -36.9358 -36.9358 -36.9339 -36.9339 -36.9328 -36.9328 -36.9309 -36.9309 -29.7508 -29.7508 -12.5814 -12.5814 -11.4551 -11.4551 -11.4372 -11.4372 -2.8477 -2.8477 -2.7163 -2.7163 2.0297 2.0297 2.1413 2.1413 3.0765 3.0765 3.4485 3.4485 4.2577 4.2577 4.5251 4.5251 7.6598 7.6598 7.6825 7.6825 9.0257 9.0257 9.4160 9.4160 k = 0.2815 0.4875 0.3001 ( 7752 PWs) bands (ev): -70.2807 -70.2807 -70.2806 -70.2806 -37.2217 -37.2217 -37.2210 -37.2210 -36.9358 -36.9358 -36.9340 -36.9340 -36.9328 -36.9328 -36.9309 -36.9309 -29.7508 -29.7508 -12.5812 -12.5812 -11.4551 -11.4551 -11.4365 -11.4365 -2.8662 -2.8662 -2.7151 -2.7151 2.0293 2.0293 2.1383 2.1383 3.1188 3.1188 3.4964 3.4964 4.2412 4.2412 4.5405 4.5405 7.6535 7.6535 7.6705 7.6705 9.0228 9.0228 9.3969 9.3969 k = 0.2741 0.4747 0.3001 ( 7760 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2210 -37.2210 -36.9358 -36.9358 -36.9340 -36.9340 -36.9327 -36.9327 -36.9310 -36.9310 -29.7508 -29.7508 -12.5809 -12.5809 -11.4551 -11.4551 -11.4356 -11.4356 -2.8858 -2.8858 -2.7158 -2.7158 2.0315 2.0315 2.1381 2.1381 3.1646 3.1646 3.5485 3.5485 4.2259 4.2259 4.5537 4.5537 7.6475 7.6475 7.6601 7.6601 9.0223 9.0223 9.3579 9.3579 k = 0.2667 0.4619 0.3001 ( 7756 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2218 -37.2218 -37.2209 -37.2209 -36.9358 -36.9358 -36.9341 -36.9341 -36.9327 -36.9327 -36.9310 -36.9310 -29.7509 -29.7509 -12.5805 -12.5805 -11.4551 -11.4551 -11.4348 -11.4348 -2.9063 -2.9063 -2.7185 -2.7185 2.0368 2.0368 2.1410 2.1410 3.2134 3.2134 3.6041 3.6041 4.2120 4.2120 4.5644 4.5644 7.6416 7.6416 7.6531 7.6531 9.0243 9.0243 9.3043 9.3043 k = 0.2593 0.4491 0.3001 ( 7760 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2209 -37.2209 -36.9358 -36.9358 -36.9341 -36.9341 -36.9326 -36.9326 -36.9310 -36.9310 -29.7510 -29.7510 -12.5801 -12.5801 -11.4549 -11.4549 -11.4339 -11.4339 -2.9277 -2.9277 -2.7234 -2.7234 2.0460 2.0460 2.1471 2.1471 3.2649 3.2649 3.6624 3.6624 4.1997 4.1997 4.5724 4.5724 7.6365 7.6365 7.6496 7.6496 9.0289 9.0289 9.2427 9.2427 k = 0.2519 0.4362 0.3001 ( 7746 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9358 -36.9358 -36.9342 -36.9342 -36.9326 -36.9326 -36.9310 -36.9310 -29.7510 -29.7510 -12.5797 -12.5797 -11.4546 -11.4546 -11.4331 -11.4331 -2.9499 -2.9499 -2.7303 -2.7303 2.0593 2.0593 2.1567 2.1567 3.3186 3.3186 3.7227 3.7227 4.1893 4.1893 4.5777 4.5777 7.6339 7.6339 7.6490 7.6490 9.0352 9.0352 9.1790 9.1790 k = 0.2444 0.4234 0.3001 ( 7740 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9358 -36.9358 -36.9342 -36.9342 -36.9325 -36.9325 -36.9310 -36.9310 -29.7511 -29.7511 -12.5792 -12.5792 -11.4542 -11.4542 -11.4322 -11.4322 -2.9729 -2.9729 -2.7393 -2.7393 2.0771 2.0771 2.1698 2.1698 3.3741 3.3741 3.7842 3.7842 4.1811 4.1811 4.5800 4.5800 7.6346 7.6346 7.6510 7.6510 9.0396 9.0396 9.1199 9.1199 k = 0.2370 0.4106 0.3001 ( 7732 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2207 -37.2207 -36.9357 -36.9357 -36.9342 -36.9342 -36.9325 -36.9325 -36.9310 -36.9310 -29.7512 -29.7512 -12.5786 -12.5786 -11.4537 -11.4537 -11.4313 -11.4313 -2.9966 -2.9966 -2.7504 -2.7504 2.0994 2.0994 2.1864 2.1864 3.4312 3.4312 3.8460 3.8460 4.1755 4.1755 4.5796 4.5796 7.6390 7.6390 7.6559 7.6559 9.0210 9.0210 9.0881 9.0881 k = 0.2296 0.3977 0.3001 ( 7732 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2221 -37.2221 -37.2206 -37.2206 -36.9357 -36.9357 -36.9343 -36.9343 -36.9324 -36.9324 -36.9310 -36.9310 -29.7512 -29.7512 -12.5781 -12.5781 -11.4531 -11.4531 -11.4304 -11.4304 -3.0209 -3.0209 -2.7633 -2.7633 2.1262 2.1262 2.2066 2.2066 3.4896 3.4896 3.9070 3.9070 4.1732 4.1732 4.5765 4.5765 7.6467 7.6467 7.6645 7.6645 8.9705 8.9705 9.0935 9.0935 k = 0.2222 0.3849 0.3001 ( 7738 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2221 -37.2221 -37.2206 -37.2206 -36.9357 -36.9357 -36.9343 -36.9343 -36.9324 -36.9324 -36.9310 -36.9310 -29.7513 -29.7513 -12.5774 -12.5774 -11.4524 -11.4524 -11.4295 -11.4295 -3.0456 -3.0456 -2.7781 -2.7781 2.1570 2.1570 2.2310 2.2310 3.5488 3.5488 3.9655 3.9655 4.1755 4.1755 4.5711 4.5711 7.6566 7.6566 7.6779 7.6779 8.9150 8.9150 9.1094 9.1094 k = 0.2148 0.3721 0.3001 ( 7734 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2222 -37.2222 -37.2205 -37.2205 -36.9357 -36.9357 -36.9344 -36.9344 -36.9323 -36.9323 -36.9310 -36.9310 -29.7514 -29.7514 -12.5768 -12.5768 -11.4516 -11.4516 -11.4286 -11.4286 -3.0707 -3.0707 -2.7947 -2.7947 2.1909 2.1909 2.2600 2.2600 3.6085 3.6085 4.0190 4.0190 4.1844 4.1844 4.5640 4.5640 7.6683 7.6683 7.6968 7.6968 8.8617 8.8617 9.1282 9.1282 k = 0.2074 0.3592 0.3001 ( 7732 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2222 -37.2222 -37.2204 -37.2204 -36.9357 -36.9357 -36.9344 -36.9344 -36.9323 -36.9323 -36.9310 -36.9310 -29.7515 -29.7515 -12.5761 -12.5761 -11.4508 -11.4508 -11.4276 -11.4276 -3.0961 -3.0961 -2.8128 -2.8128 2.2266 2.2266 2.2948 2.2948 3.6683 3.6683 4.0637 4.0637 4.2032 4.2032 4.5558 4.5558 7.6819 7.6819 7.7208 7.7208 8.8118 8.8118 9.1463 9.1463 k = 0.2000 0.3464 0.3001 ( 7726 PWs) bands (ev): -70.2808 -70.2808 -70.2805 -70.2805 -37.2223 -37.2223 -37.2204 -37.2204 -36.9356 -36.9356 -36.9344 -36.9344 -36.9322 -36.9322 -36.9310 -36.9310 -29.7516 -29.7516 -12.5753 -12.5753 -11.4499 -11.4499 -11.4266 -11.4266 -3.1217 -3.1217 -2.8323 -2.8323 2.2627 2.2627 2.3365 2.3365 3.7275 3.7275 4.0972 4.0972 4.2336 4.2336 4.5479 4.5479 7.6976 7.6976 7.7494 7.7494 8.7657 8.7657 9.1353 9.1353 k = 0.1926 0.3336 0.3001 ( 7734 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2223 -37.2223 -37.2203 -37.2203 -36.9356 -36.9356 -36.9345 -36.9345 -36.9322 -36.9322 -36.9311 -36.9311 -29.7517 -29.7517 -12.5746 -12.5746 -11.4490 -11.4490 -11.4255 -11.4255 -3.1473 -3.1473 -2.8531 -2.8531 2.2983 2.2983 2.3853 2.3853 3.7856 3.7856 4.1218 4.1218 4.2718 4.2718 4.5420 4.5420 7.7157 7.7157 7.7820 7.7820 8.7232 8.7232 9.0901 9.0901 k = 0.1852 0.3208 0.3001 ( 7732 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2203 -37.2203 -36.9356 -36.9356 -36.9345 -36.9345 -36.9322 -36.9322 -36.9311 -36.9311 -29.7518 -29.7518 -12.5738 -12.5738 -11.4480 -11.4480 -11.4245 -11.4245 -3.1729 -3.1729 -2.8749 -2.8749 2.3334 2.3334 2.4407 2.4407 3.8416 3.8416 4.1428 4.1428 4.3108 4.3108 4.5411 4.5411 7.7362 7.7362 7.8179 7.8179 8.6840 8.6840 9.0503 9.0503 k = 0.1778 0.3079 0.3001 ( 7720 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2224 -37.2224 -37.2202 -37.2202 -36.9356 -36.9356 -36.9345 -36.9345 -36.9321 -36.9321 -36.9311 -36.9311 -29.7519 -29.7519 -12.5730 -12.5730 -11.4471 -11.4471 -11.4233 -11.4233 -3.1983 -3.1983 -2.8976 -2.8976 2.3683 2.3683 2.5018 2.5018 3.8947 3.8947 4.1637 4.1637 4.3441 4.3441 4.5488 4.5488 7.7590 7.7590 7.8562 7.8562 8.6477 8.6477 9.0190 9.0190 k = 0.1704 0.2951 0.3001 ( 7742 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2202 -37.2202 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7521 -29.7521 -12.5722 -12.5722 -11.4462 -11.4462 -11.4221 -11.4221 -3.2235 -3.2235 -2.9211 -2.9211 2.4031 2.4031 2.5678 2.5678 3.9439 3.9439 4.1860 4.1860 4.3687 4.3687 4.5680 4.5680 7.7841 7.7841 7.8959 7.8959 8.6139 8.6139 8.9973 8.9973 k = 0.1630 0.2823 0.3001 ( 7742 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2201 -37.2201 -36.9356 -36.9356 -36.9346 -36.9346 -36.9321 -36.9321 -36.9311 -36.9311 -29.7522 -29.7522 -12.5713 -12.5713 -11.4453 -11.4453 -11.4208 -11.4208 -3.2483 -3.2483 -2.9450 -2.9450 2.4379 2.4379 2.6378 2.6378 3.9887 3.9887 4.2088 4.2088 4.3871 4.3871 4.5979 4.5979 7.8110 7.8110 7.9358 7.9358 8.5830 8.5830 8.9857 8.9857 k = 0.1556 0.2694 0.3001 ( 7726 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2225 -37.2225 -37.2201 -37.2201 -36.9356 -36.9356 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7523 -29.7523 -12.5705 -12.5705 -11.4445 -11.4445 -11.4194 -11.4194 -3.2727 -3.2727 -2.9693 -2.9693 2.4723 2.4723 2.7111 2.7111 4.0291 4.0291 4.2291 4.2291 4.4065 4.4065 4.6344 4.6344 7.8396 7.8396 7.9743 7.9743 8.5561 8.5561 8.9814 8.9814 k = 0.1481 0.2566 0.3001 ( 7730 PWs) bands (ev): -70.2809 -70.2809 -70.2805 -70.2805 -37.2226 -37.2226 -37.2200 -37.2200 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7524 -29.7524 -12.5696 -12.5696 -11.4437 -11.4437 -11.4180 -11.4180 -3.2965 -3.2965 -2.9937 -2.9937 2.5062 2.5062 2.7870 2.7870 4.0659 4.0659 4.2440 4.2440 4.4334 4.4334 4.6737 4.6737 7.8691 7.8691 8.0090 8.0090 8.5352 8.5352 8.9646 8.9646 k = 0.1407 0.2438 0.3001 ( 7726 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2226 -37.2226 -37.2200 -37.2200 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7525 -29.7525 -12.5688 -12.5688 -11.4430 -11.4430 -11.4164 -11.4164 -3.3198 -3.3198 -3.0180 -3.0180 2.5394 2.5394 2.8645 2.8645 4.0997 4.0997 4.2532 4.2532 4.4704 4.4704 4.7133 4.7133 7.8990 7.8990 8.0369 8.0369 8.5236 8.5236 8.9243 8.9243 k = 0.1333 0.2309 0.3001 ( 7726 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2226 -37.2226 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9320 -36.9320 -36.9311 -36.9311 -29.7527 -29.7527 -12.5679 -12.5679 -11.4424 -11.4424 -11.4149 -11.4149 -3.3423 -3.3423 -3.0422 -3.0422 2.5714 2.5714 2.9427 2.9427 4.1311 4.1311 4.2601 4.2601 4.5156 4.5156 4.7517 4.7517 7.9281 7.9281 8.0548 8.0548 8.5247 8.5247 8.8808 8.8808 k = 0.1259 0.2181 0.3001 ( 7730 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2199 -37.2199 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7528 -29.7528 -12.5671 -12.5671 -11.4418 -11.4418 -11.4132 -11.4132 -3.3640 -3.3640 -3.0659 -3.0659 2.6022 2.6022 3.0204 3.0204 4.1599 4.1599 4.2693 4.2693 4.5662 4.5662 4.7881 4.7881 7.9553 7.9553 8.0605 8.0605 8.5414 8.5414 8.8392 8.8392 k = 0.1185 0.2053 0.3001 ( 7722 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7529 -29.7529 -12.5663 -12.5663 -11.4413 -11.4413 -11.4116 -11.4116 -3.3849 -3.3849 -3.0892 -3.0892 2.6314 2.6314 3.0963 3.0963 4.1856 4.1856 4.2851 4.2851 4.6198 4.6198 4.8222 4.8222 7.9783 7.9783 8.0544 8.0544 8.5741 8.5741 8.8008 8.8008 k = 0.1111 0.1925 0.3001 ( 7722 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2227 -37.2227 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7530 -29.7530 -12.5655 -12.5655 -11.4409 -11.4409 -11.4099 -11.4099 -3.4049 -3.4049 -3.1117 -3.1117 2.6588 2.6588 3.1687 3.1687 4.2090 4.2090 4.3095 4.3095 4.6747 4.6747 4.8538 4.8538 7.9924 7.9924 8.0419 8.0419 8.6211 8.6211 8.7660 8.7660 k = 0.1037 0.1796 0.3001 ( 7730 PWs) bands (ev): -70.2809 -70.2809 -70.2804 -70.2804 -37.2228 -37.2228 -37.2198 -37.2198 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7531 -29.7531 -12.5647 -12.5647 -11.4405 -11.4405 -11.4082 -11.4082 -3.4239 -3.4239 -3.1335 -3.1335 2.6843 2.6843 3.2359 3.2359 4.2333 4.2333 4.3415 4.3415 4.7297 4.7297 4.8828 4.8828 7.9847 7.9847 8.0370 8.0370 8.6784 8.6784 8.7354 8.7354 k = 0.0963 0.1668 0.3001 ( 7718 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7532 -29.7532 -12.5640 -12.5640 -11.4402 -11.4402 -11.4065 -11.4065 -3.4418 -3.4418 -3.1543 -3.1543 2.7078 2.7078 3.2963 3.2963 4.2623 4.2623 4.3790 4.3790 4.7839 4.7839 4.9095 4.9095 7.9550 7.9550 8.0407 8.0407 8.6969 8.6969 8.7545 8.7545 k = 0.0889 0.1540 0.3001 ( 7718 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2197 -37.2197 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9311 -36.9311 -29.7533 -29.7533 -12.5633 -12.5633 -11.4399 -11.4399 -11.4049 -11.4049 -3.4586 -3.4586 -3.1740 -3.1740 2.7292 2.7292 3.3485 3.3485 4.2987 4.2987 4.4201 4.4201 4.8365 4.8365 4.9341 4.9341 7.9147 7.9147 8.0425 8.0425 8.6668 8.6668 8.8293 8.8293 k = 0.0815 0.1411 0.3001 ( 7718 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9346 -36.9346 -36.9319 -36.9319 -36.9310 -36.9310 -29.7534 -29.7534 -12.5627 -12.5627 -11.4397 -11.4397 -11.4033 -11.4033 -3.4742 -3.4742 -3.1925 -3.1925 2.7485 2.7485 3.3917 3.3917 4.3437 4.3437 4.4633 4.4633 4.8870 4.8870 4.9569 4.9569 7.8673 7.8673 8.0397 8.0397 8.6324 8.6324 8.9055 8.9055 k = 0.0741 0.1283 0.3001 ( 7716 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2228 -37.2228 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7535 -29.7535 -12.5621 -12.5621 -11.4395 -11.4395 -11.4018 -11.4018 -3.4887 -3.4887 -3.2098 -3.2098 2.7657 2.7657 3.4259 3.4259 4.3971 4.3971 4.5076 4.5076 4.9349 4.9349 4.9783 4.9783 7.8135 7.8135 8.0324 8.0324 8.5940 8.5940 8.7987 8.7987 k = 0.0667 0.1155 0.3001 ( 7728 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7536 -29.7536 -12.5615 -12.5615 -11.4394 -11.4394 -11.4003 -11.4003 -3.5018 -3.5018 -3.2257 -3.2257 2.7810 2.7810 3.4518 3.4518 4.4573 4.4573 4.5519 4.5519 4.9792 4.9792 4.9994 4.9994 7.7533 7.7533 8.0217 8.0217 8.5518 8.5518 8.6914 8.6914 k = 0.0593 0.1026 0.3001 ( 7728 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2196 -37.2196 -36.9355 -36.9355 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7537 -29.7537 -12.5610 -12.5610 -11.4392 -11.4392 -11.3990 -11.3990 -3.5137 -3.5137 -3.2401 -3.2401 2.7943 2.7943 3.4706 3.4706 4.5219 4.5219 4.5954 4.5954 5.0131 5.0131 5.0272 5.0272 7.6871 7.6871 8.0088 8.0088 8.5070 8.5070 8.5961 8.5961 k = 0.0519 0.0898 0.3001 ( 7740 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7537 -29.7537 -12.5605 -12.5605 -11.4391 -11.4391 -11.3978 -11.3978 -3.5243 -3.5243 -3.2530 -3.2530 2.8057 2.8057 3.4836 3.4836 4.5874 4.5874 4.6373 4.6373 5.0337 5.0337 5.0648 5.0648 7.6158 7.6158 7.9950 7.9950 8.4608 8.4608 8.5145 8.5145 k = 0.0444 0.0770 0.3001 ( 7744 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7538 -29.7538 -12.5601 -12.5601 -11.4391 -11.4391 -11.3968 -11.3968 -3.5335 -3.5335 -3.2643 -3.2643 2.8154 2.8154 3.4922 3.4922 4.6484 4.6484 4.6787 4.6787 5.0515 5.0515 5.1019 5.1019 7.5417 7.5417 7.9814 7.9814 8.4151 8.4151 8.4472 8.4472 k = 0.0370 0.0642 0.3001 ( 7756 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2229 -37.2229 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7539 -29.7539 -12.5598 -12.5598 -11.4390 -11.4390 -11.3958 -11.3958 -3.5414 -3.5414 -3.2740 -3.2740 2.8234 2.8234 3.4977 3.4977 4.6945 4.6945 4.7261 4.7261 5.0674 5.0674 5.1372 5.1372 7.4678 7.4678 7.9690 7.9690 8.3719 8.3719 8.3936 8.3936 k = 0.0296 0.0513 0.3001 ( 7764 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7539 -29.7539 -12.5595 -12.5595 -11.4390 -11.4390 -11.3951 -11.3951 -3.5478 -3.5478 -3.2820 -3.2820 2.8298 2.8298 3.5010 3.5010 4.7254 4.7254 4.7759 4.7759 5.0809 5.0809 5.1705 5.1705 7.3983 7.3983 7.9583 7.9583 8.3342 8.3342 8.3513 8.3513 k = 0.0222 0.0385 0.3001 ( 7768 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7539 -29.7539 -12.5593 -12.5593 -11.4389 -11.4389 -11.3945 -11.3945 -3.5529 -3.5529 -3.2882 -3.2882 2.8347 2.8347 3.5029 3.5029 4.7478 4.7478 4.8188 4.8188 5.0913 5.0913 5.2006 5.2006 7.3377 7.3377 7.9498 7.9498 8.3044 8.3044 8.3184 8.3184 k = 0.0148 0.0257 0.3001 ( 7768 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9345 -36.9345 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5591 -12.5591 -11.4389 -11.4389 -11.3940 -11.3940 -3.5565 -3.5565 -3.2927 -3.2927 2.8382 2.8382 3.5039 3.5039 4.7634 4.7634 4.8512 4.8512 5.0983 5.0983 5.2252 5.2252 7.2904 7.2904 7.9437 7.9437 8.2831 8.2831 8.2946 8.2946 k = 0.0074 0.0128 0.3001 ( 7784 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9346 -36.9346 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3938 -11.3938 -3.5587 -3.5587 -3.2954 -3.2954 2.8402 2.8402 3.5043 3.5043 4.7726 4.7726 4.8712 4.8712 5.1022 5.1022 5.2415 5.2415 7.2602 7.2602 7.9401 7.9401 8.2702 8.2702 8.2802 8.2802 k = 0.0000 0.0000 0.3001 ( 7788 PWs) bands (ev): -70.2810 -70.2810 -70.2804 -70.2804 -37.2230 -37.2230 -37.2195 -37.2195 -36.9356 -36.9356 -36.9346 -36.9346 -36.9319 -36.9319 -36.9310 -36.9310 -29.7540 -29.7540 -12.5590 -12.5590 -11.4389 -11.4389 -11.3937 -11.3937 -3.5594 -3.5594 -3.2963 -3.2963 2.8409 2.8409 3.5044 3.5044 4.7756 4.7756 4.8780 4.8780 5.1034 5.1034 5.2472 5.2472 7.2499 7.2499 7.9389 7.9389 8.2659 8.2659 8.2754 8.2754 k = 0.5000 0.2887 0.3001 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9872 -2.9872 -2.6815 -2.6815 1.7764 1.7764 1.8890 1.8890 3.7672 3.7672 4.0460 4.0460 4.5838 4.5838 4.9635 4.9635 6.9392 6.9392 7.2546 7.2546 7.9290 7.9290 8.1950 8.1950 k = 0.5000 0.2887 0.2858 ( 7748 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9869 -2.9869 -2.6819 -2.6819 1.7745 1.7745 1.8930 1.8930 3.7660 3.7660 4.0454 4.0454 4.5816 4.5816 4.9608 4.9608 6.9273 6.9273 7.2708 7.2708 7.9217 7.9217 8.2114 8.2114 k = 0.5000 0.2887 0.2715 ( 7744 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9860 -2.9860 -2.6831 -2.6831 1.7696 1.7696 1.9044 1.9044 3.7627 3.7627 4.0437 4.0437 4.5749 4.5749 4.9528 4.9528 6.8980 6.8980 7.3122 7.3122 7.9063 7.9063 8.2548 8.2548 k = 0.5000 0.2887 0.2573 ( 7738 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9846 -2.9846 -2.6851 -2.6851 1.7632 1.7632 1.9214 1.9214 3.7569 3.7569 4.0412 4.0412 4.5636 4.5636 4.9399 4.9399 6.8617 6.8617 7.3659 7.3659 7.8945 7.8945 8.3154 8.3154 k = 0.5000 0.2887 0.2430 ( 7734 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9827 -2.9827 -2.6878 -2.6878 1.7565 1.7565 1.9428 1.9428 3.7487 3.7487 4.0386 4.0386 4.5474 4.5474 4.9226 4.9226 6.8249 6.8249 7.4212 7.4212 7.8961 7.8961 8.3866 8.3866 k = 0.5000 0.2887 0.2287 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2219 -37.2219 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9802 -2.9802 -2.6912 -2.6912 1.7504 1.7504 1.9676 1.9676 3.7378 3.7378 4.0363 4.0363 4.5262 4.5262 4.9016 4.9016 6.7905 6.7905 7.4701 7.4701 7.9183 7.9183 8.4645 8.4645 k = 0.5000 0.2887 0.2144 ( 7736 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9772 -2.9772 -2.6953 -2.6953 1.7451 1.7451 1.9951 1.9951 3.7243 3.7243 4.0348 4.0348 4.4997 4.4997 4.8777 4.8777 6.7594 6.7594 7.5093 7.5093 7.9643 7.9643 8.5468 8.5468 k = 0.5000 0.2887 0.2001 ( 7740 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9738 -2.9738 -2.7000 -2.7000 1.7410 1.7410 2.0249 2.0249 3.7083 3.7083 4.0347 4.0347 4.4680 4.4680 4.8520 4.8520 6.7318 6.7318 7.5403 7.5403 8.0316 8.0316 8.6316 8.6316 k = 0.5000 0.2887 0.1858 ( 7742 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9699 -2.9699 -2.7053 -2.7053 1.7379 1.7379 2.0567 2.0567 3.6901 3.6901 4.0361 4.0361 4.4311 4.4311 4.8253 4.8253 6.7070 6.7070 7.5681 7.5681 8.1144 8.1144 8.7175 8.7175 k = 0.5000 0.2887 0.1715 ( 7746 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9655 -2.9655 -2.7110 -2.7110 1.7360 1.7360 2.0899 2.0899 3.6703 3.6703 4.0390 4.0390 4.3895 4.3895 4.7983 4.7983 6.6846 6.6846 7.5974 7.5974 8.2062 8.2062 8.8033 8.8033 k = 0.5000 0.2887 0.1572 ( 7756 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9609 -2.9609 -2.7172 -2.7172 1.7350 1.7350 2.1243 2.1243 3.6495 3.6495 4.0434 4.0434 4.3441 4.3441 4.7718 4.7718 6.6640 6.6640 7.6313 7.6313 8.3011 8.3011 8.8882 8.8882 k = 0.5000 0.2887 0.1429 ( 7752 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9559 -2.9559 -2.7237 -2.7237 1.7349 1.7349 2.1594 2.1594 3.6283 3.6283 4.0488 4.0488 4.2960 4.2960 4.7461 4.7461 6.6448 6.6448 7.6715 7.6715 8.3937 8.3937 8.9723 8.9723 k = 0.5000 0.2887 0.1286 ( 7756 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9507 -2.9507 -2.7303 -2.7303 1.7355 1.7355 2.1946 2.1946 3.6073 3.6073 4.0548 4.0548 4.2467 4.2467 4.7215 4.7215 6.6269 6.6269 7.7187 7.7187 8.4780 8.4780 9.0565 9.0565 k = 0.5000 0.2887 0.1143 ( 7754 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9454 -2.9454 -2.7371 -2.7371 1.7366 1.7366 2.2294 2.2294 3.5872 3.5872 4.0603 4.0603 4.1981 4.1981 4.6983 4.6983 6.6102 6.6102 7.7728 7.7728 8.5476 8.5476 9.1435 9.1435 k = 0.5000 0.2887 0.1000 ( 7748 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9310 -36.9310 -29.7510 -29.7510 -12.5799 -12.5799 -11.4639 -11.4639 -11.4228 -11.4228 -2.9400 -2.9400 -2.7438 -2.7438 1.7382 1.7382 2.2631 2.2631 3.5685 3.5685 4.0628 4.0628 4.1540 4.1540 4.6766 4.6766 6.5949 6.5949 7.8331 7.8331 8.5965 8.5965 9.2361 9.2361 k = 0.5000 0.2887 0.0858 ( 7758 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9348 -2.9348 -2.7502 -2.7502 1.7399 1.7399 2.2950 2.2950 3.5517 3.5517 4.0546 4.0546 4.1230 4.1230 4.6568 4.6568 6.5811 6.5811 7.8990 7.8990 8.6213 8.6213 9.3366 9.3366 k = 0.5000 0.2887 0.0715 ( 7762 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9298 -2.9298 -2.7563 -2.7563 1.7417 1.7417 2.3241 2.3241 3.5372 3.5372 4.0288 4.0288 4.1132 4.1132 4.6392 4.6392 6.5691 6.5691 7.9693 7.9693 8.6217 8.6217 9.4444 9.4444 k = 0.5000 0.2887 0.0572 ( 7766 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9253 -2.9253 -2.7617 -2.7617 1.7434 1.7434 2.3496 2.3496 3.5252 3.5252 3.9963 3.9963 4.1145 4.1145 4.6240 4.6240 6.5589 6.5589 8.0428 8.0428 8.6005 8.6005 9.5568 9.5568 k = 0.5000 0.2887 0.0429 ( 7768 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9215 -2.9215 -2.7663 -2.7663 1.7449 1.7449 2.3707 2.3707 3.5159 3.5159 3.9668 3.9668 4.1185 4.1185 4.6117 4.6117 6.5508 6.5508 8.1178 8.1178 8.5622 8.5622 9.6684 9.6684 k = 0.5000 0.2887 0.0286 ( 7770 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9185 -2.9185 -2.7698 -2.7698 1.7461 1.7461 2.3864 2.3864 3.5094 3.5094 3.9439 3.9439 4.1223 4.1223 4.6025 4.6025 6.5449 6.5449 8.1917 8.1917 8.5123 8.5123 9.7683 9.7683 k = 0.5000 0.2887 0.0143 ( 7762 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9357 -36.9357 -36.9345 -36.9345 -36.9324 -36.9324 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9167 -2.9167 -2.7720 -2.7720 1.7468 1.7468 2.3961 2.3961 3.5055 3.5055 3.9295 3.9295 4.1249 4.1249 4.5969 4.5969 6.5413 6.5413 8.2582 8.2582 8.4592 8.4592 9.8240 9.8240 k = 0.5000 0.2887-0.0000 ( 7752 PWs) bands (ev): -70.2808 -70.2808 -70.2806 -70.2806 -37.2220 -37.2220 -37.2208 -37.2208 -36.9356 -36.9356 -36.9345 -36.9345 -36.9323 -36.9323 -36.9311 -36.9311 -29.7510 -29.7510 -12.5799 -12.5799 -11.4640 -11.4640 -11.4228 -11.4228 -2.9160 -2.9160 -2.7727 -2.7727 1.7470 1.7470 2.3994 2.3994 3.5043 3.5043 3.9246 3.9246 4.1259 4.1259 4.5950 4.5950 6.5401 6.5401 8.2926 8.2926 8.4292 8.4292 9.8349 9.8349 k = 0.3333 0.5774-0.0000 ( 7743 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7634 -2.7634 -2.7570 -2.7570 2.1833 2.1833 2.3453 2.3453 2.5412 2.5412 3.8470 3.8470 3.9263 3.9263 4.0571 4.0571 7.7649 7.7649 8.9764 8.9764 9.0118 9.0118 9.1905 9.1905 k = 0.3333 0.5774 0.0143 ( 7749 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7634 -2.7634 -2.7570 -2.7570 2.1824 2.1824 2.3442 2.3442 2.5424 2.5424 3.8475 3.8475 3.9286 3.9286 4.0563 4.0563 7.7698 7.7698 8.9448 8.9448 8.9852 8.9852 9.2209 9.2209 k = 0.3333 0.5774 0.0286 ( 7737 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7634 -2.7634 -2.7570 -2.7570 2.1798 2.1798 2.3409 2.3409 2.5461 2.5461 3.8484 3.8484 3.9354 3.9354 4.0543 4.0543 7.7845 7.7845 8.8769 8.8769 8.9224 8.9224 9.2855 9.2855 k = 0.3333 0.5774 0.0429 ( 7731 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7634 -2.7634 -2.7570 -2.7570 2.1755 2.1755 2.3356 2.3356 2.5522 2.5522 3.8484 3.8484 3.9465 3.9465 4.0526 4.0526 7.8087 7.8087 8.7970 8.7970 8.8440 8.8440 9.3599 9.3599 k = 0.3333 0.5774 0.0572 ( 7731 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7634 -2.7634 -2.7570 -2.7570 2.1697 2.1697 2.3284 2.3284 2.5609 2.5609 3.8454 3.8454 3.9617 3.9617 4.0534 4.0534 7.8420 7.8420 8.7128 8.7128 8.7591 8.7591 9.4366 9.4366 k = 0.3333 0.5774 0.0715 ( 7740 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7633 -2.7633 -2.7570 -2.7570 2.1626 2.1626 2.3194 2.3194 2.5720 2.5720 3.8368 3.8368 3.9807 3.9807 4.0589 4.0589 7.8841 7.8841 8.6268 8.6268 8.6711 8.6711 9.5131 9.5131 k = 0.3333 0.5774 0.0858 ( 7746 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7633 -2.7633 -2.7570 -2.7570 2.1543 2.1543 2.3091 2.3091 2.5856 2.5856 3.8210 3.8210 4.0031 4.0031 4.0708 4.0708 7.9343 7.9343 8.5406 8.5406 8.5820 8.5820 9.5822 9.5825 k = 0.3333 0.5774 0.1000 ( 7740 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7632 -2.7632 -2.7570 -2.7570 2.1452 2.1452 2.2977 2.2977 2.6017 2.6017 3.7980 3.7980 4.0284 4.0284 4.0893 4.0893 7.9920 7.9920 8.4550 8.4550 8.4930 8.4930 9.5944 9.5944 k = 0.3333 0.5774 0.1143 ( 7734 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7632 -2.7632 -2.7570 -2.7570 2.1354 2.1354 2.2855 2.2855 2.6202 2.6202 3.7685 3.7685 4.0561 4.0561 4.1133 4.1133 8.0564 8.0564 8.3707 8.3707 8.4051 8.4051 9.6054 9.6054 k = 0.3333 0.5774 0.1286 ( 7722 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9329 -36.9329 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7631 -2.7631 -2.7570 -2.7570 2.1253 2.1253 2.2728 2.2728 2.6410 2.6410 3.7337 3.7337 4.0857 4.0857 4.1417 4.1417 8.1264 8.1264 8.2884 8.2884 8.3196 8.3196 9.6152 9.6152 k = 0.3333 0.5774 0.1429 ( 7731 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7630 -2.7630 -2.7570 -2.7570 2.1150 2.1150 2.2600 2.2600 2.6640 2.6640 3.6949 3.6949 4.1165 4.1165 4.1730 4.1730 8.1945 8.1945 8.2089 8.2089 8.2440 8.2440 9.6230 9.6230 k = 0.3333 0.5774 0.1572 ( 7743 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7630 -2.7630 -2.7570 -2.7570 2.1048 2.1048 2.2473 2.2473 2.6891 2.6891 3.6531 3.6531 4.1479 4.1479 4.2061 4.2061 8.1328 8.1328 8.1501 8.1501 8.2888 8.2888 9.6276 9.6277 k = 0.3333 0.5774 0.1715 ( 7752 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7629 -2.7629 -2.7570 -2.7570 2.0950 2.0950 2.2351 2.2351 2.7160 2.7160 3.6093 3.6093 4.1793 4.1793 4.2399 4.2399 8.0609 8.0609 8.0754 8.0754 8.3719 8.3719 9.6275 9.6275 k = 0.3333 0.5774 0.1858 ( 7752 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7628 -2.7628 -2.7570 -2.7570 2.0856 2.0856 2.2236 2.2236 2.7446 2.7446 3.5643 3.5643 4.2099 4.2099 4.2733 4.2733 7.9938 7.9938 8.0045 8.0045 8.4590 8.4590 9.6211 9.6211 k = 0.3333 0.5774 0.2001 ( 7749 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7628 -2.7628 -2.7570 -2.7570 2.0769 2.0769 2.2129 2.2129 2.7745 2.7745 3.5189 3.5189 4.2390 4.2390 4.3055 4.3055 7.9324 7.9324 7.9392 7.9392 8.5483 8.5483 9.6069 9.6069 k = 0.3333 0.5774 0.2144 ( 7758 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7627 -2.7627 -2.7570 -2.7570 2.0691 2.0691 2.2033 2.2033 2.8052 2.8052 3.4740 3.4740 4.2660 4.2660 4.3356 4.3356 7.8774 7.8774 7.8805 7.8805 8.6387 8.6387 9.5837 9.5837 k = 0.3333 0.5774 0.2287 ( 7767 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7627 -2.7627 -2.7570 -2.7570 2.0622 2.0622 2.1949 2.1949 2.8361 2.8361 3.4306 3.4306 4.2902 4.2902 4.3627 4.3627 7.8291 7.8291 7.8293 7.8293 8.7287 8.7287 9.5513 9.5513 k = 0.3333 0.5774 0.2430 ( 7755 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7626 -2.7626 -2.7570 -2.7570 2.0565 2.0565 2.1879 2.1879 2.8662 2.8662 3.3899 3.3899 4.3110 4.3110 4.3861 4.3861 7.7858 7.7858 7.7890 7.7890 8.8170 8.8170 9.5103 9.5103 k = 0.3333 0.5774 0.2573 ( 7749 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7626 -2.7626 -2.7570 -2.7570 2.0519 2.0519 2.1823 2.1823 2.8941 2.8941 3.3537 3.3537 4.3279 4.3279 4.4051 4.4051 7.7514 7.7514 7.7570 7.7570 8.9010 8.9010 9.4627 9.4627 k = 0.3333 0.5774 0.2715 ( 7755 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7626 -2.7626 -2.7570 -2.7570 2.0486 2.0486 2.1782 2.1782 2.9174 2.9174 3.3242 3.3242 4.3402 4.3402 4.4191 4.4191 7.7264 7.7264 7.7337 7.7337 8.9766 8.9766 9.4129 9.4129 k = 0.3333 0.5774 0.2858 ( 7752 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2214 -37.2214 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7626 -2.7626 -2.7570 -2.7570 2.0466 2.0466 2.1758 2.1758 2.9334 2.9334 3.3045 3.3045 4.3478 4.3478 4.4277 4.4277 7.7112 7.7112 7.7196 7.7196 9.0350 9.0350 9.3699 9.3699 k = 0.3333 0.5774 0.3001 ( 7746 PWs) bands (ev): -70.2807 -70.2807 -70.2807 -70.2807 -37.2214 -37.2214 -37.2213 -37.2213 -36.9359 -36.9359 -36.9338 -36.9338 -36.9330 -36.9330 -36.9309 -36.9309 -29.7507 -29.7507 -12.5821 -12.5821 -11.4541 -11.4541 -11.4400 -11.4400 -2.7626 -2.7626 -2.7570 -2.7570 2.0459 2.0459 2.1750 2.1750 2.9391 2.9391 3.2975 3.2975 4.3504 4.3504 4.4306 4.4306 7.7061 7.7061 7.7149 7.7149 9.0587 9.0587 9.3513 9.3513 Writing output data file SrxMgSbx2.save init_run : 0.40s CPU 0.55s WALL ( 1 calls) electrons : 183.77s CPU 185.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 183.76s CPU 185.94s 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 : 0.08s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.10s WALL ( 286 calls) cegterg : 168.84s CPU 170.46s WALL ( 367 calls) Called by sum_band: Called by *egterg: h_psi : 111.57s CPU 112.24s WALL ( 6317 calls) s_psi : 4.40s CPU 4.71s WALL ( 6317 calls) g_psi : 0.29s CPU 0.36s WALL ( 5664 calls) cdiaghg : 42.62s CPU 43.00s WALL ( 5950 calls) cegterg:over : 7.46s CPU 7.48s WALL ( 5664 calls) cegterg:upda : 7.64s CPU 7.94s WALL ( 5664 calls) cegterg:last : 3.74s CPU 3.80s WALL ( 1036 calls) cdiaghg:chol : 2.26s CPU 2.48s WALL ( 5950 calls) cdiaghg:inve : 1.71s CPU 1.63s WALL ( 5950 calls) cdiaghg:para : 2.53s CPU 2.61s WALL ( 11900 calls) Called by h_psi: h_psi:vloc : 100.62s CPU 101.37s WALL ( 6317 calls) h_psi:vnl : 10.56s CPU 10.54s WALL ( 6317 calls) add_vuspsi : 5.46s CPU 5.22s WALL ( 6317 calls) General routines calbec : 5.06s CPU 5.30s WALL ( 6317 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 94.47s CPU 94.95s WALL ( 617640 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.29s WALL ( 572 calls) Parallel routines fft_scatter : 30.32s CPU 30.48s WALL ( 617663 calls) PWSCF : 3m22.97s CPU 3m34.87s WALL This run was terminated on: 20:45:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=