Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:43:58 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: ./SrxCdSbx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 96 23 7 7674 943 151 Max 97 24 8 7685 970 158 Sum 3481 859 253 276407 34505 5517 bravais-lattice index = 14 lattice parameter (alat) = 8.8987 a.u. unit-cell volume = 1013.6834 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.898720 celldm(2)= 1.000000 celldm(3)= 1.661075 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 1.661075 ) 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 0.602020 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Cd 12.00 112.41100 Cd( 1.00) Sb 5.00 121.76000 Sb( 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 0.0143338), wk = 0.0034965 k( 113) = ( 0.0000000 0.0000000 0.0286676), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.0430014), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0573352), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.0716690), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.0860028), wk = 0.0034965 k( 118) = ( 0.0000000 0.0000000 0.1003367), wk = 0.0034965 k( 119) = ( 0.0000000 0.0000000 0.1146705), wk = 0.0034965 k( 120) = ( 0.0000000 0.0000000 0.1290043), wk = 0.0034965 k( 121) = ( 0.0000000 0.0000000 0.1433381), wk = 0.0034965 k( 122) = ( 0.0000000 0.0000000 0.1576719), wk = 0.0034965 k( 123) = ( 0.0000000 0.0000000 0.1720057), wk = 0.0034965 k( 124) = ( 0.0000000 0.0000000 0.1863395), wk = 0.0034965 k( 125) = ( 0.0000000 0.0000000 0.2006733), wk = 0.0034965 k( 126) = ( 0.0000000 0.0000000 0.2150071), wk = 0.0034965 k( 127) = ( 0.0000000 0.0000000 0.2293409), wk = 0.0034965 k( 128) = ( 0.0000000 0.0000000 0.2436747), wk = 0.0034965 k( 129) = ( 0.0000000 0.0000000 0.2580085), wk = 0.0034965 k( 130) = ( 0.0000000 0.0000000 0.2723424), wk = 0.0034965 k( 131) = ( 0.0000000 0.0000000 0.2866762), wk = 0.0034965 k( 132) = ( 0.0000000 0.0000000 0.3010100), wk = 0.0034965 k( 133) = ( 0.0000000 0.0000000 0.3010100), wk = 0.0034965 k( 134) = ( 0.0128205 0.0074019 0.3010100), wk = 0.0034965 k( 135) = ( 0.0256410 0.0148039 0.3010100), wk = 0.0034965 k( 136) = ( 0.0384615 0.0222058 0.3010100), wk = 0.0034965 k( 137) = ( 0.0512821 0.0296077 0.3010100), wk = 0.0034965 k( 138) = ( 0.0641026 0.0370096 0.3010100), wk = 0.0034965 k( 139) = ( 0.0769231 0.0444116 0.3010100), wk = 0.0034965 k( 140) = ( 0.0897436 0.0518135 0.3010100), wk = 0.0034965 k( 141) = ( 0.1025641 0.0592154 0.3010100), wk = 0.0034965 k( 142) = ( 0.1153846 0.0666173 0.3010100), wk = 0.0034965 k( 143) = ( 0.1282051 0.0740193 0.3010100), wk = 0.0034965 k( 144) = ( 0.1410256 0.0814212 0.3010100), wk = 0.0034965 k( 145) = ( 0.1538461 0.0888231 0.3010100), wk = 0.0034965 k( 146) = ( 0.1666667 0.0962250 0.3010100), wk = 0.0034965 k( 147) = ( 0.1794872 0.1036270 0.3010100), wk = 0.0034965 k( 148) = ( 0.1923077 0.1110289 0.3010100), wk = 0.0034965 k( 149) = ( 0.2051282 0.1184308 0.3010100), wk = 0.0034965 k( 150) = ( 0.2179487 0.1258328 0.3010100), wk = 0.0034965 k( 151) = ( 0.2307692 0.1332347 0.3010100), wk = 0.0034965 k( 152) = ( 0.2435897 0.1406366 0.3010100), wk = 0.0034965 k( 153) = ( 0.2564103 0.1480385 0.3010100), wk = 0.0034965 k( 154) = ( 0.2692308 0.1554405 0.3010100), wk = 0.0034965 k( 155) = ( 0.2820513 0.1628424 0.3010100), wk = 0.0034965 k( 156) = ( 0.2948718 0.1702443 0.3010100), wk = 0.0034965 k( 157) = ( 0.3076923 0.1776462 0.3010100), wk = 0.0034965 k( 158) = ( 0.3205128 0.1850482 0.3010100), wk = 0.0034965 k( 159) = ( 0.3333333 0.1924501 0.3010100), wk = 0.0034965 k( 160) = ( 0.3461538 0.1998520 0.3010100), wk = 0.0034965 k( 161) = ( 0.3589744 0.2072539 0.3010100), wk = 0.0034965 k( 162) = ( 0.3717949 0.2146559 0.3010100), wk = 0.0034965 k( 163) = ( 0.3846154 0.2220578 0.3010100), wk = 0.0034965 k( 164) = ( 0.3974359 0.2294597 0.3010100), wk = 0.0034965 k( 165) = ( 0.4102564 0.2368616 0.3010100), wk = 0.0034965 k( 166) = ( 0.4230769 0.2442636 0.3010100), wk = 0.0034965 k( 167) = ( 0.4358974 0.2516655 0.3010100), wk = 0.0034965 k( 168) = ( 0.4487179 0.2590674 0.3010100), wk = 0.0034965 k( 169) = ( 0.4615385 0.2664694 0.3010100), wk = 0.0034965 k( 170) = ( 0.4743590 0.2738713 0.3010100), wk = 0.0034965 k( 171) = ( 0.4871795 0.2812732 0.3010100), wk = 0.0034965 k( 172) = ( 0.5000000 0.2886751 0.3010100), wk = 0.0034965 k( 173) = ( 0.5000000 0.2886751 0.3010100), wk = 0.0034965 k( 174) = ( 0.4927536 0.3012262 0.3010100), wk = 0.0034965 k( 175) = ( 0.4855073 0.3137773 0.3010100), wk = 0.0034965 k( 176) = ( 0.4782609 0.3263284 0.3010100), wk = 0.0034965 k( 177) = ( 0.4710145 0.3388795 0.3010100), wk = 0.0034965 k( 178) = ( 0.4637681 0.3514306 0.3010100), wk = 0.0034965 k( 179) = ( 0.4565217 0.3639817 0.3010100), wk = 0.0034965 k( 180) = ( 0.4492754 0.3765328 0.3010100), wk = 0.0034965 k( 181) = ( 0.4420290 0.3890839 0.3010100), wk = 0.0034965 k( 182) = ( 0.4347826 0.4016350 0.3010100), wk = 0.0034965 k( 183) = ( 0.4275362 0.4141861 0.3010100), wk = 0.0034965 k( 184) = ( 0.4202899 0.4267372 0.3010100), wk = 0.0034965 k( 185) = ( 0.4130435 0.4392882 0.3010100), wk = 0.0034965 k( 186) = ( 0.4057971 0.4518393 0.3010100), wk = 0.0034965 k( 187) = ( 0.3985507 0.4643904 0.3010100), wk = 0.0034965 k( 188) = ( 0.3913044 0.4769415 0.3010100), wk = 0.0034965 k( 189) = ( 0.3840580 0.4894926 0.3010100), wk = 0.0034965 k( 190) = ( 0.3768116 0.5020437 0.3010100), wk = 0.0034965 k( 191) = ( 0.3695652 0.5145948 0.3010100), wk = 0.0034965 k( 192) = ( 0.3623188 0.5271459 0.3010100), wk = 0.0034965 k( 193) = ( 0.3550725 0.5396970 0.3010100), wk = 0.0034965 k( 194) = ( 0.3478261 0.5522481 0.3010100), wk = 0.0034965 k( 195) = ( 0.3405797 0.5647992 0.3010100), wk = 0.0034965 k( 196) = ( 0.3333333 0.5773503 0.3010100), wk = 0.0034965 k( 197) = ( 0.3333333 0.5773503 0.3010100), wk = 0.0034965 k( 198) = ( 0.3259259 0.5645203 0.3010100), wk = 0.0034965 k( 199) = ( 0.3185185 0.5516903 0.3010100), wk = 0.0034965 k( 200) = ( 0.3111111 0.5388602 0.3010100), wk = 0.0034965 k( 201) = ( 0.3037037 0.5260302 0.3010100), wk = 0.0034965 k( 202) = ( 0.2962963 0.5132002 0.3010100), wk = 0.0034965 k( 203) = ( 0.2888889 0.5003702 0.3010100), wk = 0.0034965 k( 204) = ( 0.2814815 0.4875402 0.3010100), wk = 0.0034965 k( 205) = ( 0.2740741 0.4747102 0.3010100), wk = 0.0034965 k( 206) = ( 0.2666667 0.4618802 0.3010100), wk = 0.0034965 k( 207) = ( 0.2592593 0.4490502 0.3010100), wk = 0.0034965 k( 208) = ( 0.2518518 0.4362202 0.3010100), wk = 0.0034965 k( 209) = ( 0.2444444 0.4233902 0.3010100), wk = 0.0034965 k( 210) = ( 0.2370370 0.4105602 0.3010100), wk = 0.0034965 k( 211) = ( 0.2296296 0.3977302 0.3010100), wk = 0.0034965 k( 212) = ( 0.2222222 0.3849002 0.3010100), wk = 0.0034965 k( 213) = ( 0.2148148 0.3720702 0.3010100), wk = 0.0034965 k( 214) = ( 0.2074074 0.3592402 0.3010100), wk = 0.0034965 k( 215) = ( 0.2000000 0.3464102 0.3010100), wk = 0.0034965 k( 216) = ( 0.1925926 0.3335802 0.3010100), wk = 0.0034965 k( 217) = ( 0.1851852 0.3207502 0.3010100), wk = 0.0034965 k( 218) = ( 0.1777778 0.3079201 0.3010100), wk = 0.0034965 k( 219) = ( 0.1703704 0.2950901 0.3010100), wk = 0.0034965 k( 220) = ( 0.1629630 0.2822601 0.3010100), wk = 0.0034965 k( 221) = ( 0.1555556 0.2694301 0.3010100), wk = 0.0034965 k( 222) = ( 0.1481482 0.2566001 0.3010100), wk = 0.0034965 k( 223) = ( 0.1407407 0.2437701 0.3010100), wk = 0.0034965 k( 224) = ( 0.1333333 0.2309401 0.3010100), wk = 0.0034965 k( 225) = ( 0.1259259 0.2181101 0.3010100), wk = 0.0034965 k( 226) = ( 0.1185185 0.2052801 0.3010100), wk = 0.0034965 k( 227) = ( 0.1111111 0.1924501 0.3010100), wk = 0.0034965 k( 228) = ( 0.1037037 0.1796201 0.3010100), wk = 0.0034965 k( 229) = ( 0.0962963 0.1667901 0.3010100), wk = 0.0034965 k( 230) = ( 0.0888889 0.1539601 0.3010100), wk = 0.0034965 k( 231) = ( 0.0814815 0.1411301 0.3010100), wk = 0.0034965 k( 232) = ( 0.0740741 0.1283001 0.3010100), wk = 0.0034965 k( 233) = ( 0.0666667 0.1154701 0.3010100), wk = 0.0034965 k( 234) = ( 0.0592593 0.1026400 0.3010100), wk = 0.0034965 k( 235) = ( 0.0518518 0.0898100 0.3010100), wk = 0.0034965 k( 236) = ( 0.0444444 0.0769800 0.3010100), wk = 0.0034965 k( 237) = ( 0.0370370 0.0641500 0.3010100), wk = 0.0034965 k( 238) = ( 0.0296296 0.0513200 0.3010100), wk = 0.0034965 k( 239) = ( 0.0222222 0.0384900 0.3010100), wk = 0.0034965 k( 240) = ( 0.0148148 0.0256600 0.3010100), wk = 0.0034965 k( 241) = ( 0.0074074 0.0128300 0.3010100), wk = 0.0034965 k( 242) = ( 0.0000000 0.0000000 0.3010100), wk = 0.0034965 k( 243) = ( 0.5000000 0.2886751 0.3010100), wk = 0.0034965 k( 244) = ( 0.5000000 0.2886751 0.2866762), wk = 0.0034965 k( 245) = ( 0.5000000 0.2886751 0.2723424), wk = 0.0034965 k( 246) = ( 0.5000000 0.2886751 0.2580085), wk = 0.0034965 k( 247) = ( 0.5000000 0.2886751 0.2436747), wk = 0.0034965 k( 248) = ( 0.5000000 0.2886751 0.2293409), wk = 0.0034965 k( 249) = ( 0.5000000 0.2886751 0.2150071), wk = 0.0034965 k( 250) = ( 0.5000000 0.2886751 0.2006733), wk = 0.0034965 k( 251) = ( 0.5000000 0.2886751 0.1863395), wk = 0.0034965 k( 252) = ( 0.5000000 0.2886751 0.1720057), wk = 0.0034965 k( 253) = ( 0.5000000 0.2886751 0.1576719), wk = 0.0034965 k( 254) = ( 0.5000000 0.2886751 0.1433381), wk = 0.0034965 k( 255) = ( 0.5000000 0.2886751 0.1290043), wk = 0.0034965 k( 256) = ( 0.5000000 0.2886751 0.1146705), wk = 0.0034965 k( 257) = ( 0.5000000 0.2886751 0.1003367), wk = 0.0034965 k( 258) = ( 0.5000000 0.2886751 0.0860028), wk = 0.0034965 k( 259) = ( 0.5000000 0.2886751 0.0716690), wk = 0.0034965 k( 260) = ( 0.5000000 0.2886751 0.0573352), wk = 0.0034965 k( 261) = ( 0.5000000 0.2886751 0.0430014), wk = 0.0034965 k( 262) = ( 0.5000000 0.2886751 0.0286676), wk = 0.0034965 k( 263) = ( 0.5000000 0.2886751 0.0143338), 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 0.0143338), wk = 0.0034965 k( 267) = ( 0.3333333 0.5773503 0.0286676), wk = 0.0034965 k( 268) = ( 0.3333333 0.5773503 0.0430014), wk = 0.0034965 k( 269) = ( 0.3333333 0.5773503 0.0573352), wk = 0.0034965 k( 270) = ( 0.3333333 0.5773503 0.0716690), wk = 0.0034965 k( 271) = ( 0.3333333 0.5773503 0.0860028), wk = 0.0034965 k( 272) = ( 0.3333333 0.5773503 0.1003367), wk = 0.0034965 k( 273) = ( 0.3333333 0.5773503 0.1146705), wk = 0.0034965 k( 274) = ( 0.3333333 0.5773503 0.1290043), wk = 0.0034965 k( 275) = ( 0.3333333 0.5773503 0.1433381), wk = 0.0034965 k( 276) = ( 0.3333333 0.5773503 0.1576719), wk = 0.0034965 k( 277) = ( 0.3333333 0.5773503 0.1720057), wk = 0.0034965 k( 278) = ( 0.3333333 0.5773503 0.1863395), wk = 0.0034965 k( 279) = ( 0.3333333 0.5773503 0.2006733), wk = 0.0034965 k( 280) = ( 0.3333333 0.5773503 0.2150071), wk = 0.0034965 k( 281) = ( 0.3333333 0.5773503 0.2293409), wk = 0.0034965 k( 282) = ( 0.3333333 0.5773503 0.2436747), wk = 0.0034965 k( 283) = ( 0.3333333 0.5773503 0.2580085), wk = 0.0034965 k( 284) = ( 0.3333333 0.5773503 0.2723424), wk = 0.0034965 k( 285) = ( 0.3333333 0.5773503 0.2866762), wk = 0.0034965 k( 286) = ( 0.3333333 0.5773503 0.3010100), 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 0.0144928 -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 0.0518519 0.0000000), wk = 0.0034965 k( 104) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0034965 k( 105) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0034965 k( 106) = ( 0.0296296 0.0296296 0.0000000), wk = 0.0034965 k( 107) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0034965 k( 108) = ( 0.0148148 0.0148148 -0.0000000), wk = 0.0034965 k( 109) = ( 0.0074074 0.0074074 -0.0000000), wk = 0.0034965 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 112) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034965 k( 113) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034965 k( 118) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034965 k( 119) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034965 k( 120) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034965 k( 121) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034965 k( 122) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034965 k( 123) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034965 k( 124) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034965 k( 125) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034965 k( 126) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034965 k( 127) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034965 k( 128) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034965 k( 129) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034965 k( 130) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034965 k( 131) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034965 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 134) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0034965 k( 135) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0034965 k( 136) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0034965 k( 137) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0034965 k( 138) = ( 0.0641026 -0.0000000 0.5000000), wk = 0.0034965 k( 139) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0034965 k( 140) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0034965 k( 141) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0034965 k( 142) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0034965 k( 143) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0034965 k( 144) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0034965 k( 145) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0034965 k( 146) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0034965 k( 147) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0034965 k( 148) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0034965 k( 149) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0034965 k( 150) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0034965 k( 151) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0034965 k( 152) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0034965 k( 153) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0034965 k( 154) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0034965 k( 155) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0034965 k( 156) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0034965 k( 157) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0034965 k( 158) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0034965 k( 159) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0034965 k( 160) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0034965 k( 161) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0034965 k( 162) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0034965 k( 163) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0034965 k( 164) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0034965 k( 165) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0034965 k( 166) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0034965 k( 167) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0034965 k( 168) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0034965 k( 169) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0034965 k( 170) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0034965 k( 171) = ( 0.4871795 0.0000000 0.5000000), wk = 0.0034965 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034965 k( 173) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034965 k( 174) = ( 0.4927536 0.0144928 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 0.0518519 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: 276407 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 34505 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 274, 52) NL pseudopotentials 0.36 Mb ( 137, 170) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.06 Mb ( 7677) G-vector shells 0.02 Mb ( 3232) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.87 Mb ( 274, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) The potential is recalculated from file : ./SrxCdSbx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.0 secs Computing kpt #: 2 total cpu time spent up to now is 6.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.0 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.4 secs Computing kpt #: 9 total cpu time spent up to now is 14.5 secs Computing kpt #: 10 total cpu time spent up to now is 15.5 secs Computing kpt #: 11 total cpu time spent up to now is 16.6 secs Computing kpt #: 12 total cpu time spent up to now is 17.7 secs Computing kpt #: 13 total cpu time spent up to now is 18.6 secs Computing kpt #: 14 total cpu time spent up to now is 19.6 secs Computing kpt #: 15 total cpu time spent up to now is 20.4 secs Computing kpt #: 16 total cpu time spent up to now is 21.4 secs Computing kpt #: 17 total cpu time spent up to now is 22.4 secs Computing kpt #: 18 total cpu time spent up to now is 23.3 secs Computing kpt #: 19 total cpu time spent up to now is 24.2 secs Computing kpt #: 20 total cpu time spent up to now is 25.2 secs Computing kpt #: 21 total cpu time spent up to now is 26.1 secs Computing kpt #: 22 total cpu time spent up to now is 27.0 secs Computing kpt #: 23 total cpu time spent up to now is 27.9 secs Computing kpt #: 24 total cpu time spent up to now is 28.8 secs Computing kpt #: 25 total cpu time spent up to now is 29.6 secs Computing kpt #: 26 total cpu time spent up to now is 30.5 secs Computing kpt #: 27 total cpu time spent up to now is 31.3 secs Computing kpt #: 28 total cpu time spent up to now is 32.2 secs Computing kpt #: 29 total cpu time spent up to now is 33.0 secs Computing kpt #: 30 total cpu time spent up to now is 33.9 secs Computing kpt #: 31 total cpu time spent up to now is 34.9 secs Computing kpt #: 32 total cpu time spent up to now is 35.8 secs Computing kpt #: 33 total cpu time spent up to now is 36.8 secs Computing kpt #: 34 total cpu time spent up to now is 37.7 secs Computing kpt #: 35 total cpu time spent up to now is 38.7 secs Computing kpt #: 36 total cpu time spent up to now is 39.7 secs Computing kpt #: 37 total cpu time spent up to now is 40.7 secs Computing kpt #: 38 total cpu time spent up to now is 41.6 secs Computing kpt #: 39 total cpu time spent up to now is 42.5 secs Computing kpt #: 40 total cpu time spent up to now is 43.5 secs Computing kpt #: 41 total cpu time spent up to now is 44.3 secs Computing kpt #: 42 total cpu time spent up to now is 45.4 secs Computing kpt #: 43 total cpu time spent up to now is 46.5 secs Computing kpt #: 44 total cpu time spent up to now is 47.5 secs Computing kpt #: 45 total cpu time spent up to now is 48.3 secs Computing kpt #: 46 total cpu time spent up to now is 49.0 secs Computing kpt #: 47 total cpu time spent up to now is 49.6 secs Computing kpt #: 48 total cpu time spent up to now is 50.3 secs Computing kpt #: 49 total cpu time spent up to now is 50.9 secs Computing kpt #: 50 total cpu time spent up to now is 51.5 secs Computing kpt #: 51 total cpu time spent up to now is 52.0 secs Computing kpt #: 52 total cpu time spent up to now is 52.6 secs Computing kpt #: 53 total cpu time spent up to now is 53.2 secs Computing kpt #: 54 total cpu time spent up to now is 53.8 secs Computing kpt #: 55 total cpu time spent up to now is 54.3 secs Computing kpt #: 56 total cpu time spent up to now is 54.9 secs Computing kpt #: 57 total cpu time spent up to now is 55.5 secs Computing kpt #: 58 total cpu time spent up to now is 56.1 secs Computing kpt #: 59 total cpu time spent up to now is 56.8 secs Computing kpt #: 60 total cpu time spent up to now is 57.5 secs Computing kpt #: 61 total cpu time spent up to now is 58.3 secs Computing kpt #: 62 total cpu time spent up to now is 59.0 secs Computing kpt #: 63 total cpu time spent up to now is 59.9 secs Computing kpt #: 64 total cpu time spent up to now is 60.8 secs Computing kpt #: 65 total cpu time spent up to now is 61.8 secs Computing kpt #: 66 total cpu time spent up to now is 62.7 secs Computing kpt #: 67 total cpu time spent up to now is 63.7 secs Computing kpt #: 68 total cpu time spent up to now is 64.6 secs Computing kpt #: 69 total cpu time spent up to now is 65.4 secs Computing kpt #: 70 total cpu time spent up to now is 66.2 secs Computing kpt #: 71 total cpu time spent up to now is 67.1 secs Computing kpt #: 72 total cpu time spent up to now is 67.9 secs Computing kpt #: 73 total cpu time spent up to now is 68.7 secs Computing kpt #: 74 total cpu time spent up to now is 69.6 secs Computing kpt #: 75 total cpu time spent up to now is 70.3 secs Computing kpt #: 76 total cpu time spent up to now is 71.2 secs Computing kpt #: 77 total cpu time spent up to now is 72.0 secs Computing kpt #: 78 total cpu time spent up to now is 72.8 secs Computing kpt #: 79 total cpu time spent up to now is 73.6 secs Computing kpt #: 80 total cpu time spent up to now is 74.5 secs Computing kpt #: 81 total cpu time spent up to now is 75.3 secs Computing kpt #: 82 total cpu time spent up to now is 76.1 secs Computing kpt #: 83 total cpu time spent up to now is 76.9 secs Computing kpt #: 84 total cpu time spent up to now is 77.7 secs Computing kpt #: 85 total cpu time spent up to now is 78.5 secs Computing kpt #: 86 total cpu time spent up to now is 79.3 secs Computing kpt #: 87 total cpu time spent up to now is 80.2 secs Computing kpt #: 88 total cpu time spent up to now is 81.0 secs Computing kpt #: 89 total cpu time spent up to now is 81.9 secs Computing kpt #: 90 total cpu time spent up to now is 82.7 secs Computing kpt #: 91 total cpu time spent up to now is 83.6 secs Computing kpt #: 92 total cpu time spent up to now is 84.5 secs Computing kpt #: 93 total cpu time spent up to now is 85.4 secs Computing kpt #: 94 total cpu time spent up to now is 86.4 secs Computing kpt #: 95 total cpu time spent up to now is 87.3 secs Computing kpt #: 96 total cpu time spent up to now is 88.3 secs Computing kpt #: 97 total cpu time spent up to now is 89.3 secs Computing kpt #: 98 total cpu time spent up to now is 90.2 secs Computing kpt #: 99 total cpu time spent up to now is 91.1 secs Computing kpt #: 100 total cpu time spent up to now is 92.1 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.7 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.3 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.9 secs Computing kpt #: 104 total cpu time spent up to now is 98.0 secs Computing kpt #: 105 total cpu time spent up to now is 99.0 secs Computing kpt #: 106 total cpu time spent up to now is 100.1 secs Computing kpt #: 107 total cpu time spent up to now is 101.2 secs Computing kpt #: 108 total cpu time spent up to now is 102.3 secs Computing kpt #: 109 total cpu time spent up to now is 103.5 secs Computing kpt #: 110 total cpu time spent up to now is 104.5 secs Computing kpt #: 111 total cpu time spent up to now is 105.5 secs Computing kpt #: 112 total cpu time spent up to now is 106.4 secs Computing kpt #: 113 total cpu time spent up to now is 107.3 secs Computing kpt #: 114 total cpu time spent up to now is 108.2 secs Computing kpt #: 115 total cpu time spent up to now is 109.0 secs Computing kpt #: 116 total cpu time spent up to now is 109.8 secs Computing kpt #: 117 total cpu time spent up to now is 110.6 secs Computing kpt #: 118 total cpu time spent up to now is 111.5 secs Computing kpt #: 119 total cpu time spent up to now is 112.4 secs Computing kpt #: 120 total cpu time spent up to now is 113.3 secs Computing kpt #: 121 total cpu time spent up to now is 114.5 secs Computing kpt #: 122 total cpu time spent up to now is 115.5 secs Computing kpt #: 123 total cpu time spent up to now is 116.5 secs Computing kpt #: 124 total cpu time spent up to now is 117.4 secs Computing kpt #: 125 total cpu time spent up to now is 118.3 secs Computing kpt #: 126 total cpu time spent up to now is 119.1 secs Computing kpt #: 127 total cpu time spent up to now is 120.0 secs Computing kpt #: 128 total cpu time spent up to now is 120.8 secs Computing kpt #: 129 total cpu time spent up to now is 121.5 secs Computing kpt #: 130 total cpu time spent up to now is 122.2 secs Computing kpt #: 131 total cpu time spent up to now is 123.0 secs Computing kpt #: 132 total cpu time spent up to now is 123.7 secs Computing kpt #: 133 total cpu time spent up to now is 124.4 secs Computing kpt #: 134 total cpu time spent up to now is 125.2 secs Computing kpt #: 135 total cpu time spent up to now is 125.9 secs Computing kpt #: 136 total cpu time spent up to now is 126.6 secs Computing kpt #: 137 total cpu time spent up to now is 127.5 secs Computing kpt #: 138 total cpu time spent up to now is 128.3 secs Computing kpt #: 139 total cpu time spent up to now is 129.1 secs Computing kpt #: 140 total cpu time spent up to now is 130.0 secs Computing kpt #: 141 total cpu time spent up to now is 131.2 secs Computing kpt #: 142 total cpu time spent up to now is 132.5 secs Computing kpt #: 143 total cpu time spent up to now is 133.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.5 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 137.1 secs Computing kpt #: 146 total cpu time spent up to now is 138.6 secs Computing kpt #: 147 total cpu time spent up to now is 140.1 secs Computing kpt #: 148 total cpu time spent up to now is 141.5 secs Computing kpt #: 149 total cpu time spent up to now is 142.4 secs Computing kpt #: 150 total cpu time spent up to now is 143.2 secs Computing kpt #: 151 total cpu time spent up to now is 143.9 secs Computing kpt #: 152 total cpu time spent up to now is 144.6 secs Computing kpt #: 153 total cpu time spent up to now is 145.3 secs Computing kpt #: 154 total cpu time spent up to now is 146.0 secs Computing kpt #: 155 total cpu time spent up to now is 146.6 secs Computing kpt #: 156 total cpu time spent up to now is 147.3 secs Computing kpt #: 157 total cpu time spent up to now is 147.8 secs Computing kpt #: 158 total cpu time spent up to now is 148.4 secs Computing kpt #: 159 total cpu time spent up to now is 149.0 secs Computing kpt #: 160 total cpu time spent up to now is 149.5 secs Computing kpt #: 161 total cpu time spent up to now is 150.1 secs Computing kpt #: 162 total cpu time spent up to now is 150.7 secs Computing kpt #: 163 total cpu time spent up to now is 151.2 secs Computing kpt #: 164 total cpu time spent up to now is 151.7 secs Computing kpt #: 165 total cpu time spent up to now is 152.2 secs Computing kpt #: 166 total cpu time spent up to now is 152.7 secs Computing kpt #: 167 total cpu time spent up to now is 153.2 secs Computing kpt #: 168 total cpu time spent up to now is 153.8 secs Computing kpt #: 169 total cpu time spent up to now is 154.4 secs Computing kpt #: 170 total cpu time spent up to now is 155.0 secs Computing kpt #: 171 total cpu time spent up to now is 155.5 secs Computing kpt #: 172 total cpu time spent up to now is 155.9 secs Computing kpt #: 173 total cpu time spent up to now is 156.4 secs Computing kpt #: 174 total cpu time spent up to now is 156.9 secs Computing kpt #: 175 total cpu time spent up to now is 157.3 secs Computing kpt #: 176 total cpu time spent up to now is 157.8 secs Computing kpt #: 177 total cpu time spent up to now is 158.3 secs Computing kpt #: 178 total cpu time spent up to now is 158.8 secs Computing kpt #: 179 total cpu time spent up to now is 159.4 secs Computing kpt #: 180 total cpu time spent up to now is 159.9 secs Computing kpt #: 181 total cpu time spent up to now is 160.5 secs Computing kpt #: 182 total cpu time spent up to now is 161.1 secs Computing kpt #: 183 total cpu time spent up to now is 161.6 secs Computing kpt #: 184 total cpu time spent up to now is 162.2 secs Computing kpt #: 185 total cpu time spent up to now is 162.9 secs Computing kpt #: 186 total cpu time spent up to now is 163.6 secs Computing kpt #: 187 total cpu time spent up to now is 164.3 secs Computing kpt #: 188 total cpu time spent up to now is 165.1 secs Computing kpt #: 189 total cpu time spent up to now is 165.9 secs Computing kpt #: 190 total cpu time spent up to now is 166.7 secs Computing kpt #: 191 total cpu time spent up to now is 167.5 secs Computing kpt #: 192 total cpu time spent up to now is 168.4 secs Computing kpt #: 193 total cpu time spent up to now is 169.2 secs Computing kpt #: 194 total cpu time spent up to now is 170.0 secs Computing kpt #: 195 total cpu time spent up to now is 170.8 secs Computing kpt #: 196 total cpu time spent up to now is 171.7 secs Computing kpt #: 197 total cpu time spent up to now is 172.5 secs Computing kpt #: 198 total cpu time spent up to now is 173.3 secs Computing kpt #: 199 total cpu time spent up to now is 174.2 secs Computing kpt #: 200 total cpu time spent up to now is 175.2 secs Computing kpt #: 201 total cpu time spent up to now is 176.2 secs Computing kpt #: 202 total cpu time spent up to now is 177.2 secs Computing kpt #: 203 total cpu time spent up to now is 178.1 secs Computing kpt #: 204 total cpu time spent up to now is 179.1 secs Computing kpt #: 205 total cpu time spent up to now is 179.9 secs Computing kpt #: 206 total cpu time spent up to now is 180.7 secs Computing kpt #: 207 total cpu time spent up to now is 181.6 secs Computing kpt #: 208 total cpu time spent up to now is 182.4 secs Computing kpt #: 209 total cpu time spent up to now is 183.3 secs Computing kpt #: 210 total cpu time spent up to now is 184.3 secs Computing kpt #: 211 total cpu time spent up to now is 185.4 secs Computing kpt #: 212 total cpu time spent up to now is 186.4 secs Computing kpt #: 213 total cpu time spent up to now is 187.4 secs Computing kpt #: 214 total cpu time spent up to now is 188.3 secs Computing kpt #: 215 total cpu time spent up to now is 189.1 secs Computing kpt #: 216 total cpu time spent up to now is 190.0 secs Computing kpt #: 217 total cpu time spent up to now is 190.8 secs Computing kpt #: 218 total cpu time spent up to now is 191.6 secs Computing kpt #: 219 total cpu time spent up to now is 192.5 secs Computing kpt #: 220 total cpu time spent up to now is 193.2 secs Computing kpt #: 221 total cpu time spent up to now is 194.0 secs Computing kpt #: 222 total cpu time spent up to now is 194.7 secs Computing kpt #: 223 total cpu time spent up to now is 195.4 secs Computing kpt #: 224 total cpu time spent up to now is 196.1 secs Computing kpt #: 225 total cpu time spent up to now is 196.7 secs Computing kpt #: 226 total cpu time spent up to now is 197.4 secs Computing kpt #: 227 total cpu time spent up to now is 198.0 secs Computing kpt #: 228 total cpu time spent up to now is 198.7 secs Computing kpt #: 229 total cpu time spent up to now is 199.4 secs Computing kpt #: 230 total cpu time spent up to now is 200.1 secs Computing kpt #: 231 total cpu time spent up to now is 200.9 secs Computing kpt #: 232 total cpu time spent up to now is 201.7 secs Computing kpt #: 233 total cpu time spent up to now is 203.0 secs Computing kpt #: 234 total cpu time spent up to now is 204.3 secs Computing kpt #: 235 total cpu time spent up to now is 205.2 secs Computing kpt #: 236 total cpu time spent up to now is 206.1 secs Computing kpt #: 237 total cpu time spent up to now is 206.9 secs Computing kpt #: 238 total cpu time spent up to now is 207.7 secs Computing kpt #: 239 total cpu time spent up to now is 208.5 secs Computing kpt #: 240 total cpu time spent up to now is 209.2 secs Computing kpt #: 241 total cpu time spent up to now is 209.9 secs Computing kpt #: 242 total cpu time spent up to now is 210.7 secs Computing kpt #: 243 total cpu time spent up to now is 211.1 secs Computing kpt #: 244 total cpu time spent up to now is 211.6 secs Computing kpt #: 245 total cpu time spent up to now is 212.1 secs Computing kpt #: 246 total cpu time spent up to now is 212.5 secs Computing kpt #: 247 total cpu time spent up to now is 213.0 secs Computing kpt #: 248 total cpu time spent up to now is 213.5 secs Computing kpt #: 249 total cpu time spent up to now is 214.0 secs Computing kpt #: 250 total cpu time spent up to now is 214.5 secs Computing kpt #: 251 total cpu time spent up to now is 215.1 secs Computing kpt #: 252 total cpu time spent up to now is 215.6 secs Computing kpt #: 253 total cpu time spent up to now is 216.2 secs Computing kpt #: 254 total cpu time spent up to now is 216.8 secs Computing kpt #: 255 total cpu time spent up to now is 217.3 secs Computing kpt #: 256 total cpu time spent up to now is 217.9 secs Computing kpt #: 257 total cpu time spent up to now is 218.6 secs Computing kpt #: 258 total cpu time spent up to now is 219.2 secs Computing kpt #: 259 total cpu time spent up to now is 219.9 secs Computing kpt #: 260 total cpu time spent up to now is 220.6 secs Computing kpt #: 261 total cpu time spent up to now is 221.4 secs Computing kpt #: 262 total cpu time spent up to now is 222.2 secs Computing kpt #: 263 total cpu time spent up to now is 223.0 secs Computing kpt #: 264 total cpu time spent up to now is 223.9 secs Computing kpt #: 265 total cpu time spent up to now is 224.8 secs Computing kpt #: 266 total cpu time spent up to now is 225.6 secs Computing kpt #: 267 total cpu time spent up to now is 226.6 secs Computing kpt #: 268 total cpu time spent up to now is 227.6 secs Computing kpt #: 269 total cpu time spent up to now is 228.4 secs Computing kpt #: 270 total cpu time spent up to now is 229.4 secs Computing kpt #: 271 total cpu time spent up to now is 230.2 secs Computing kpt #: 272 total cpu time spent up to now is 231.0 secs Computing kpt #: 273 total cpu time spent up to now is 231.9 secs Computing kpt #: 274 total cpu time spent up to now is 232.7 secs Computing kpt #: 275 total cpu time spent up to now is 233.6 secs Computing kpt #: 276 total cpu time spent up to now is 234.5 secs Computing kpt #: 277 total cpu time spent up to now is 235.3 secs Computing kpt #: 278 total cpu time spent up to now is 236.2 secs Computing kpt #: 279 total cpu time spent up to now is 237.1 secs Computing kpt #: 280 total cpu time spent up to now is 237.9 secs Computing kpt #: 281 total cpu time spent up to now is 238.7 secs Computing kpt #: 282 total cpu time spent up to now is 239.5 secs Computing kpt #: 283 total cpu time spent up to now is 240.4 secs Computing kpt #: 284 total cpu time spent up to now is 241.2 secs Computing kpt #: 285 total cpu time spent up to now is 242.2 secs Computing kpt #: 286 total cpu time spent up to now is 243.0 secs ethr = 2.27E-08, avg # of iterations = 45.7 total cpu time spent up to now is 243.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4307 PWs) bands (ev): -28.1849 -28.1849 -10.9959 -10.9959 -9.8832 -9.8832 -9.8241 -9.8241 -2.6702 -2.6702 -2.3619 -2.3619 -1.7327 -1.7327 -1.7264 -1.7264 -1.6641 -1.6641 -1.4097 -1.4097 -1.0669 -1.0669 -1.0179 -1.0179 -0.9553 -0.9553 -0.8847 -0.8847 -0.8310 -0.8310 -0.4886 -0.4886 2.9155 2.9155 6.1966 6.1966 6.5458 6.5458 7.1504 7.1504 7.5771 7.5771 7.9013 7.9013 7.9997 7.9997 8.3054 8.3054 9.5195 9.5195 9.8821 9.8821 k = 0.0128 0.0074-0.0000 ( 4295 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8832 -9.8832 -9.8242 -9.8242 -2.6695 -2.6695 -2.3618 -2.3618 -1.7325 -1.7325 -1.7261 -1.7261 -1.6641 -1.6641 -1.4095 -1.4095 -1.0667 -1.0667 -1.0181 -1.0181 -0.9553 -0.9553 -0.8845 -0.8845 -0.8311 -0.8311 -0.4880 -0.4880 2.9170 2.9170 6.1879 6.1879 6.5340 6.5340 7.1475 7.1475 7.5851 7.5851 7.8734 7.8734 7.9927 7.9927 8.3388 8.3388 9.5240 9.5240 9.8896 9.8896 k = 0.0256 0.0148-0.0000 ( 4307 PWs) bands (ev): -28.1848 -28.1848 -10.9961 -10.9961 -9.8833 -9.8833 -9.8245 -9.8245 -2.6673 -2.6673 -2.3616 -2.3616 -1.7322 -1.7322 -1.7253 -1.7253 -1.6641 -1.6641 -1.4090 -1.4090 -1.0664 -1.0664 -1.0186 -1.0186 -0.9554 -0.9554 -0.8839 -0.8839 -0.8315 -0.8315 -0.4861 -0.4861 2.9216 2.9216 6.1609 6.1609 6.5035 6.5035 7.1342 7.1342 7.6051 7.6051 7.8083 7.8083 7.9818 7.9818 8.4149 8.4149 9.5371 9.5371 9.9121 9.9121 k = 0.0385 0.0222-0.0000 ( 4307 PWs) bands (ev): -28.1848 -28.1848 -10.9962 -10.9962 -9.8833 -9.8833 -9.8250 -9.8250 -2.6636 -2.6636 -2.3612 -2.3612 -1.7316 -1.7316 -1.7238 -1.7238 -1.6642 -1.6642 -1.4082 -1.4082 -1.0658 -1.0658 -1.0194 -1.0194 -0.9555 -0.9555 -0.8829 -0.8829 -0.8321 -0.8321 -0.4831 -0.4831 2.9293 2.9293 6.1132 6.1132 6.4647 6.4647 7.1020 7.1020 7.6143 7.6143 7.7517 7.7517 7.9750 7.9750 8.5041 8.5041 9.5575 9.5575 9.9489 9.9489 k = 0.0513 0.0296-0.0000 ( 4307 PWs) bands (ev): -28.1848 -28.1848 -10.9964 -10.9964 -9.8833 -9.8833 -9.8256 -9.8256 -2.6585 -2.6585 -2.3607 -2.3607 -1.7307 -1.7307 -1.7217 -1.7217 -1.6643 -1.6643 -1.4071 -1.4071 -1.0650 -1.0650 -1.0205 -1.0205 -0.9557 -0.9557 -0.8816 -0.8816 -0.8330 -0.8330 -0.4789 -0.4789 2.9400 2.9400 6.0442 6.0442 6.4265 6.4265 7.0453 7.0453 7.5710 7.5710 7.7465 7.7465 7.9827 7.9827 8.5930 8.5930 9.5839 9.5839 9.9979 9.9979 k = 0.0641 0.0370-0.0000 ( 4311 PWs) bands (ev): -28.1848 -28.1848 -10.9967 -10.9967 -9.8834 -9.8834 -9.8264 -9.8264 -2.6520 -2.6520 -2.3600 -2.3600 -1.7297 -1.7297 -1.7190 -1.7190 -1.6644 -1.6644 -1.4057 -1.4057 -1.0639 -1.0639 -1.0217 -1.0217 -0.9560 -0.9560 -0.8800 -0.8800 -0.8340 -0.8340 -0.4734 -0.4734 2.9537 2.9537 5.9563 5.9563 6.3925 6.3925 6.9641 6.9641 7.5020 7.5020 7.7513 7.7513 8.0210 8.0210 8.6761 8.6761 9.6143 9.6143 10.0553 10.0553 k = 0.0769 0.0444-0.0000 ( 4319 PWs) bands (ev): -28.1847 -28.1847 -10.9971 -10.9971 -9.8834 -9.8834 -9.8273 -9.8273 -2.6442 -2.6442 -2.3592 -2.3592 -1.7284 -1.7284 -1.7158 -1.7158 -1.6644 -1.6644 -1.4039 -1.4039 -1.0626 -1.0626 -1.0231 -1.0231 -0.9564 -0.9564 -0.8783 -0.8783 -0.8352 -0.8352 -0.4668 -0.4668 2.9703 2.9703 5.8540 5.8540 6.3622 6.3622 6.8624 6.8624 7.4330 7.4330 7.7341 7.7341 8.0919 8.0919 8.7512 8.7512 9.6471 9.6471 10.1173 10.1173 k = 0.0897 0.0518-0.0000 ( 4327 PWs) bands (ev): -28.1846 -28.1846 -10.9975 -10.9975 -9.8835 -9.8835 -9.8284 -9.8284 -2.6352 -2.6352 -2.3583 -2.3583 -1.7269 -1.7269 -1.7119 -1.7119 -1.6645 -1.6645 -1.4018 -1.4018 -1.0610 -1.0610 -1.0245 -1.0245 -0.9568 -0.9568 -0.8766 -0.8766 -0.8365 -0.8365 -0.4590 -0.4590 2.9898 2.9898 5.7418 5.7418 6.3340 6.3340 6.7460 6.7460 7.3677 7.3677 7.6991 7.6991 8.1823 8.1823 8.8179 8.8179 9.6811 9.6811 10.1822 10.1822 k = 0.1026 0.0592-0.0000 ( 4333 PWs) bands (ev): -28.1846 -28.1846 -10.9979 -10.9979 -9.8836 -9.8836 -9.8297 -9.8297 -2.6250 -2.6250 -2.3573 -2.3573 -1.7252 -1.7252 -1.7074 -1.7074 -1.6644 -1.6644 -1.3993 -1.3993 -1.0591 -1.0591 -1.0258 -1.0258 -0.9572 -0.9572 -0.8750 -0.8750 -0.8377 -0.8377 -0.4501 -0.4501 3.0121 3.0121 5.6229 5.6229 6.3062 6.3062 6.6203 6.6203 7.3052 7.3052 7.6534 7.6534 8.2809 8.2809 8.8763 8.8763 9.7152 9.7152 10.2489 10.2489 k = 0.1154 0.0666-0.0000 ( 4325 PWs) bands (ev): -28.1845 -28.1845 -10.9984 -10.9984 -9.8838 -9.8838 -9.8311 -9.8311 -2.6138 -2.6138 -2.3562 -2.3562 -1.7233 -1.7233 -1.7023 -1.7023 -1.6641 -1.6641 -1.3965 -1.3965 -1.0568 -1.0568 -1.0270 -1.0270 -0.9578 -0.9578 -0.8737 -0.8737 -0.8388 -0.8388 -0.4401 -0.4401 3.0370 3.0370 5.4997 5.4997 6.2773 6.2773 6.4900 6.4900 7.2440 7.2440 7.6008 7.6008 8.3806 8.3806 8.9271 8.9271 9.7490 9.7490 10.3144 10.3144 k = 0.1282 0.0740-0.0000 ( 4321 PWs) bands (ev): -28.1844 -28.1844 -10.9990 -10.9990 -9.8839 -9.8839 -9.8325 -9.8325 -2.6016 -2.6016 -2.3550 -2.3550 -1.7213 -1.7213 -1.6968 -1.6968 -1.6635 -1.6635 -1.3934 -1.3934 -1.0543 -1.0543 -1.0280 -1.0280 -0.9583 -0.9583 -0.8727 -0.8727 -0.8397 -0.8397 -0.4291 -0.4291 3.0646 3.0646 5.3735 5.3735 6.2437 6.2437 6.3610 6.3610 7.1834 7.1834 7.5438 7.5438 8.4768 8.4768 8.9711 8.9711 9.7827 9.7827 10.3696 10.3696 k = 0.1410 0.0814-0.0000 ( 4321 PWs) bands (ev): -28.1843 -28.1843 -10.9996 -10.9996 -9.8841 -9.8841 -9.8341 -9.8341 -2.5887 -2.5887 -2.3538 -2.3538 -1.7191 -1.7191 -1.6911 -1.6911 -1.6624 -1.6624 -1.3899 -1.3899 -1.0513 -1.0513 -1.0289 -1.0289 -0.9590 -0.9590 -0.8723 -0.8723 -0.8401 -0.8401 -0.4171 -0.4171 3.0945 3.0945 5.2456 5.2456 6.1829 6.1829 6.2575 6.2575 7.1227 7.1227 7.4835 7.4835 8.5652 8.5652 9.0093 9.0093 9.8170 9.8170 10.3952 10.3952 k = 0.1538 0.0888-0.0000 ( 4325 PWs) bands (ev): -28.1842 -28.1842 -11.0002 -11.0002 -9.8843 -9.8843 -9.8358 -9.8358 -2.5751 -2.5751 -2.3525 -2.3525 -1.7168 -1.7168 -1.6856 -1.6856 -1.6602 -1.6602 -1.3861 -1.3861 -1.0480 -1.0480 -1.0294 -1.0294 -0.9596 -0.9596 -0.8726 -0.8726 -0.8400 -0.8400 -0.4042 -0.4042 3.1267 3.1267 5.1166 5.1166 6.0668 6.0668 6.2091 6.2091 7.0618 7.0618 7.4210 7.4210 8.6419 8.6419 9.0435 9.0435 9.8532 9.8532 10.4040 10.4040 k = 0.1667 0.0962-0.0000 ( 4331 PWs) bands (ev): -28.1841 -28.1841 -11.0009 -11.0009 -9.8846 -9.8846 -9.8375 -9.8375 -2.5610 -2.5610 -2.3512 -2.3512 -1.7144 -1.7144 -1.6810 -1.6810 -1.6563 -1.6563 -1.3820 -1.3820 -1.0444 -1.0444 -1.0295 -1.0295 -0.9603 -0.9603 -0.8736 -0.8736 -0.8392 -0.8392 -0.3904 -0.3904 3.1609 3.1609 4.9872 4.9872 5.9375 5.9375 6.1748 6.1748 7.0006 7.0006 7.3571 7.3571 8.7024 8.7024 9.0766 9.0766 9.8929 9.8929 10.4165 10.4165 k = 0.1795 0.1036-0.0000 ( 4325 PWs) bands (ev): -28.1840 -28.1840 -11.0016 -11.0016 -9.8849 -9.8849 -9.8392 -9.8392 -2.5466 -2.5466 -2.3498 -2.3498 -1.7119 -1.7119 -1.6778 -1.6778 -1.6502 -1.6502 -1.3776 -1.3776 -1.0404 -1.0404 -1.0291 -1.0291 -0.9610 -0.9610 -0.8753 -0.8753 -0.8379 -0.8379 -0.3759 -0.3759 3.1970 3.1970 4.8579 4.8579 5.8083 5.8083 6.1423 6.1423 6.9392 6.9392 7.2924 7.2924 8.7432 8.7432 9.1117 9.1117 9.9365 9.9365 10.4365 10.4365 k = 0.1923 0.1110-0.0000 ( 4323 PWs) bands (ev): -28.1839 -28.1839 -11.0024 -11.0024 -9.8853 -9.8853 -9.8410 -9.8410 -2.5320 -2.5320 -2.3485 -2.3485 -1.7094 -1.7094 -1.6758 -1.6758 -1.6420 -1.6420 -1.3728 -1.3728 -1.0368 -1.0368 -1.0275 -1.0275 -0.9617 -0.9617 -0.8774 -0.8774 -0.8360 -0.8360 -0.3608 -0.3608 3.2347 3.2347 4.7290 4.7290 5.6817 5.6817 6.1099 6.1099 6.8776 6.8776 7.2273 7.2273 8.7632 8.7632 9.1511 9.1511 9.9838 9.9838 10.4630 10.4630 k = 0.2051 0.1184-0.0000 ( 4323 PWs) bands (ev): -28.1838 -28.1838 -11.0032 -11.0032 -9.8857 -9.8857 -9.8428 -9.8428 -2.5173 -2.5173 -2.3472 -2.3472 -1.7069 -1.7069 -1.6747 -1.6747 -1.6322 -1.6322 -1.3678 -1.3678 -1.0341 -1.0341 -1.0239 -1.0239 -0.9623 -0.9623 -0.8799 -0.8799 -0.8336 -0.8336 -0.3451 -0.3451 3.2735 3.2735 4.6010 4.6010 5.5588 5.5588 6.0773 6.0773 6.8157 6.8157 7.1625 7.1625 8.7643 8.7643 9.1944 9.1944 10.0330 10.0330 10.4945 10.4945 k = 0.2179 0.1258-0.0000 ( 4325 PWs) bands (ev): -28.1837 -28.1837 -11.0040 -11.0040 -9.8862 -9.8862 -9.8445 -9.8445 -2.5027 -2.5027 -2.3458 -2.3458 -1.7043 -1.7043 -1.6740 -1.6740 -1.6214 -1.6214 -1.3625 -1.3625 -1.0326 -1.0326 -1.0184 -1.0184 -0.9629 -0.9629 -0.8826 -0.8826 -0.8307 -0.8307 -0.3291 -0.3291 3.3132 3.3132 4.4742 4.4742 5.4404 5.4404 6.0446 6.0446 6.7538 6.7538 7.0984 7.0984 8.7506 8.7506 9.2400 9.2400 10.0821 10.0821 10.5294 10.5294 k = 0.2308 0.1332-0.0000 ( 4321 PWs) bands (ev): -28.1836 -28.1836 -11.0048 -11.0048 -9.8868 -9.8868 -9.8462 -9.8462 -2.4884 -2.4884 -2.3444 -2.3444 -1.7018 -1.7018 -1.6735 -1.6735 -1.6096 -1.6096 -1.3570 -1.3570 -1.0316 -1.0316 -1.0115 -1.0115 -0.9634 -0.9634 -0.8853 -0.8853 -0.8272 -0.8272 -0.3128 -0.3128 3.3532 3.3532 4.3490 4.3490 5.3271 5.3271 6.0117 6.0117 6.6917 6.6917 7.0354 7.0354 8.7263 8.7263 9.2861 9.2861 10.1288 10.1288 10.5660 10.5660 k = 0.2436 0.1406-0.0000 ( 4324 PWs) bands (ev): -28.1835 -28.1835 -11.0056 -11.0056 -9.8874 -9.8874 -9.8478 -9.8478 -2.4746 -2.4746 -2.3431 -2.3431 -1.6993 -1.6993 -1.6731 -1.6731 -1.5974 -1.5974 -1.3513 -1.3513 -1.0306 -1.0306 -1.0038 -1.0038 -0.9636 -0.9636 -0.8879 -0.8879 -0.8231 -0.8231 -0.2964 -0.2964 3.3929 3.3929 4.2260 4.2260 5.2198 5.2198 5.9789 5.9789 6.6294 6.6294 6.9739 6.9739 8.6947 8.6947 9.3314 9.3314 10.1710 10.1710 10.6032 10.6032 k = 0.2564 0.1480-0.0000 ( 4326 PWs) bands (ev): -28.1833 -28.1833 -11.0065 -11.0065 -9.8882 -9.8882 -9.8493 -9.8493 -2.4613 -2.4613 -2.3416 -2.3416 -1.6969 -1.6969 -1.6728 -1.6728 -1.5847 -1.5847 -1.3455 -1.3455 -1.0297 -1.0297 -0.9957 -0.9957 -0.9634 -0.9634 -0.8901 -0.8901 -0.8181 -0.8181 -0.2801 -0.2801 3.4314 3.4314 4.1055 4.1055 5.1191 5.1191 5.9463 5.9463 6.5670 6.5670 6.9142 6.9142 8.6585 8.6585 9.3751 9.3751 10.2075 10.2075 10.6401 10.6401 k = 0.2692 0.1554-0.0000 ( 4336 PWs) bands (ev): -28.1832 -28.1832 -11.0073 -11.0073 -9.8890 -9.8890 -9.8508 -9.8508 -2.4487 -2.4487 -2.3401 -2.3401 -1.6946 -1.6946 -1.6725 -1.6725 -1.5718 -1.5718 -1.3397 -1.3397 -1.0289 -1.0289 -0.9882 -0.9882 -0.9623 -0.9623 -0.8918 -0.8918 -0.8120 -0.8120 -0.2641 -0.2641 3.4675 3.4675 3.9884 3.9884 5.0259 5.0259 5.9141 5.9141 6.5045 6.5045 6.8568 6.8568 8.6194 8.6194 9.4169 9.4169 10.2369 10.2369 10.6763 10.6763 k = 0.2821 0.1628-0.0000 ( 4328 PWs) bands (ev): -28.1831 -28.1831 -11.0081 -11.0081 -9.8899 -9.8899 -9.8521 -9.8521 -2.4370 -2.4370 -2.3385 -2.3385 -1.6924 -1.6924 -1.6721 -1.6721 -1.5588 -1.5588 -1.3338 -1.3338 -1.0279 -1.0279 -0.9823 -0.9823 -0.9597 -0.9597 -0.8927 -0.8927 -0.8044 -0.8044 -0.2485 -0.2485 3.4995 3.4995 3.8758 3.8758 4.9412 4.9412 5.8825 5.8825 6.4417 6.4417 6.8019 6.8019 8.5789 8.5789 9.4565 9.4565 10.2586 10.2586 10.7122 10.7122 k = 0.2949 0.1702-0.0000 ( 4324 PWs) bands (ev): -28.1830 -28.1830 -11.0090 -11.0090 -9.8908 -9.8908 -9.8533 -9.8533 -2.4262 -2.4262 -2.3366 -2.3366 -1.6904 -1.6904 -1.6717 -1.6717 -1.5460 -1.5460 -1.3281 -1.3281 -1.0270 -1.0270 -0.9790 -0.9790 -0.9553 -0.9553 -0.8924 -0.8924 -0.7947 -0.7947 -0.2337 -0.2337 3.5235 3.5235 3.7710 3.7710 4.8662 4.8662 5.8517 5.8517 6.3787 6.3787 6.7497 6.7497 8.5378 8.5378 9.4939 9.4939 10.2716 10.2716 10.7484 10.7484 k = 0.3077 0.1776-0.0000 ( 4318 PWs) bands (ev): -28.1829 -28.1829 -11.0098 -11.0098 -9.8918 -9.8918 -9.8544 -9.8544 -2.4164 -2.4164 -2.3346 -2.3346 -1.6885 -1.6885 -1.6712 -1.6712 -1.5335 -1.5335 -1.3225 -1.3225 -1.0261 -1.0261 -0.9778 -0.9778 -0.9503 -0.9503 -0.8907 -0.8907 -0.7823 -0.7823 -0.2198 -0.2198 3.5282 3.5282 3.6842 3.6842 4.8021 4.8021 5.8218 5.8218 6.3155 6.3155 6.7005 6.7005 8.4970 8.4970 9.5288 9.5288 10.2757 10.2757 10.7862 10.7862 k = 0.3205 0.1850-0.0000 ( 4316 PWs) bands (ev): -28.1828 -28.1828 -11.0105 -11.0105 -9.8929 -9.8929 -9.8554 -9.8554 -2.4077 -2.4077 -2.3323 -2.3323 -1.6867 -1.6867 -1.6706 -1.6706 -1.5214 -1.5214 -1.3171 -1.3171 -1.0253 -1.0253 -0.9778 -0.9778 -0.9462 -0.9462 -0.8877 -0.8877 -0.7666 -0.7666 -0.2071 -0.2071 3.4873 3.4873 3.6410 3.6410 4.7500 4.7500 5.7930 5.7930 6.2522 6.2522 6.6543 6.6543 8.4569 8.4569 9.5615 9.5615 10.2710 10.2710 10.8269 10.8269 k = 0.3333 0.1925-0.0000 ( 4312 PWs) bands (ev): -28.1827 -28.1827 -11.0113 -11.0113 -9.8940 -9.8940 -9.8563 -9.8563 -2.4002 -2.4002 -2.3298 -2.3298 -1.6852 -1.6852 -1.6700 -1.6700 -1.5099 -1.5099 -1.3119 -1.3119 -1.0244 -1.0244 -0.9786 -0.9786 -0.9435 -0.9435 -0.8838 -0.8838 -0.7473 -0.7473 -0.1958 -0.1958 3.4081 3.4081 3.6335 3.6335 4.7111 4.7111 5.7654 5.7654 6.1889 6.1889 6.6113 6.6113 8.4180 8.4180 9.5917 9.5917 10.2581 10.2581 10.8715 10.8715 k = 0.3462 0.1999-0.0000 ( 4310 PWs) bands (ev): -28.1826 -28.1826 -11.0120 -11.0120 -9.8951 -9.8951 -9.8570 -9.8570 -2.3939 -2.3939 -2.3269 -2.3269 -1.6838 -1.6838 -1.6694 -1.6694 -1.4991 -1.4991 -1.3072 -1.3072 -1.0235 -1.0235 -0.9798 -0.9798 -0.9420 -0.9420 -0.8796 -0.8796 -0.7243 -0.7243 -0.1864 -0.1864 3.3201 3.3201 3.6318 3.6318 4.6861 4.6861 5.7393 5.7393 6.1257 6.1257 6.5715 6.5715 8.3807 8.3807 9.6197 9.6197 10.2383 10.2383 10.9203 10.9203 k = 0.3590 0.2073-0.0000 ( 4310 PWs) bands (ev): -28.1825 -28.1825 -11.0127 -11.0127 -9.8962 -9.8962 -9.8577 -9.8577 -2.3887 -2.3887 -2.3238 -2.3238 -1.6825 -1.6825 -1.6687 -1.6687 -1.4890 -1.4890 -1.3027 -1.3027 -1.0227 -1.0227 -0.9813 -0.9813 -0.9413 -0.9413 -0.8756 -0.8756 -0.6977 -0.6977 -0.1790 -0.1790 3.2335 3.2335 3.6263 3.6263 4.6747 4.6747 5.7147 5.7147 6.0628 6.0628 6.5350 6.5350 8.3453 8.3453 9.6455 9.6455 10.2132 10.2132 10.9737 10.9737 k = 0.3718 0.2147-0.0000 ( 4310 PWs) bands (ev): -28.1824 -28.1824 -11.0134 -11.0134 -9.8973 -9.8973 -9.8582 -9.8582 -2.3845 -2.3845 -2.3206 -2.3206 -1.6815 -1.6815 -1.6680 -1.6680 -1.4797 -1.4797 -1.2987 -1.2987 -1.0218 -1.0218 -0.9831 -0.9831 -0.9411 -0.9411 -0.8720 -0.8720 -0.6680 -0.6680 -0.1739 -0.1739 3.1511 3.1511 3.6153 3.6153 4.6762 4.6762 5.6918 5.6918 6.0004 6.0004 6.5017 6.5017 8.3119 8.3119 9.6692 9.6692 10.1845 10.1845 11.0313 11.0313 k = 0.3846 0.2221-0.0000 ( 4328 PWs) bands (ev): -28.1823 -28.1823 -11.0140 -11.0140 -9.8984 -9.8984 -9.8587 -9.8587 -2.3812 -2.3812 -2.3172 -2.3172 -1.6806 -1.6806 -1.6674 -1.6674 -1.4712 -1.4712 -1.2951 -1.2951 -1.0208 -1.0208 -0.9851 -0.9851 -0.9411 -0.9411 -0.8690 -0.8690 -0.6358 -0.6358 -0.1714 -0.1714 3.0742 3.0742 3.5992 3.5992 4.6890 4.6890 5.6706 5.6706 5.9388 5.9388 6.4716 6.4716 8.2810 8.2810 9.6910 9.6910 10.1537 10.1537 11.0928 11.0928 k = 0.3974 0.2295-0.0000 ( 4324 PWs) bands (ev): -28.1822 -28.1822 -11.0145 -11.0145 -9.8993 -9.8993 -9.8591 -9.8591 -2.3787 -2.3787 -2.3140 -2.3140 -1.6797 -1.6797 -1.6667 -1.6667 -1.4636 -1.4636 -1.2919 -1.2919 -1.0198 -1.0198 -0.9873 -0.9873 -0.9413 -0.9413 -0.8665 -0.8665 -0.6016 -0.6016 -0.1717 -0.1717 3.0036 3.0036 3.5796 3.5796 4.7111 4.7111 5.6513 5.6513 5.8784 5.8784 6.4448 6.4448 8.2526 8.2526 9.7109 9.7109 10.1223 10.1223 11.1577 11.1577 k = 0.4103 0.2369-0.0000 ( 4318 PWs) bands (ev): -28.1821 -28.1821 -11.0150 -11.0150 -9.9002 -9.9002 -9.8594 -9.8594 -2.3768 -2.3768 -2.3109 -2.3109 -1.6790 -1.6790 -1.6661 -1.6661 -1.4568 -1.4568 -1.2891 -1.2891 -1.0188 -1.0188 -0.9896 -0.9896 -0.9414 -0.9414 -0.8645 -0.8645 -0.5662 -0.5662 -0.1749 -0.1749 2.9401 2.9401 3.5580 3.5580 4.7403 4.7403 5.6340 5.6340 5.8196 5.8196 6.4212 6.4212 8.2270 8.2270 9.7290 9.7290 10.0914 10.0914 11.2252 11.2252 k = 0.4231 0.2443-0.0000 ( 4328 PWs) bands (ev): -28.1821 -28.1821 -11.0155 -11.0155 -9.9010 -9.9010 -9.8597 -9.8597 -2.3753 -2.3753 -2.3080 -2.3080 -1.6785 -1.6785 -1.6656 -1.6656 -1.4509 -1.4509 -1.2867 -1.2867 -1.0176 -1.0176 -0.9920 -0.9920 -0.9415 -0.9415 -0.8628 -0.8628 -0.5302 -0.5302 -0.1813 -0.1813 2.8839 2.8839 3.5361 3.5361 4.7742 4.7742 5.6186 5.6186 5.7634 5.7634 6.4008 6.4008 8.2044 8.2044 9.7455 9.7455 10.0621 10.0621 11.2946 11.2946 k = 0.4359 0.2517-0.0000 ( 4324 PWs) bands (ev): -28.1820 -28.1820 -11.0158 -11.0158 -9.9018 -9.9018 -9.8599 -9.8599 -2.3742 -2.3742 -2.3055 -2.3055 -1.6780 -1.6780 -1.6651 -1.6651 -1.4459 -1.4459 -1.2847 -1.2847 -1.0164 -1.0164 -0.9944 -0.9944 -0.9416 -0.9416 -0.8615 -0.8615 -0.4943 -0.4943 -0.1907 -0.1907 2.8357 2.8357 3.5152 3.5152 4.8104 4.8104 5.6051 5.6051 5.7107 5.7107 6.3835 6.3835 8.1849 8.1849 9.7603 9.7603 10.0352 10.0352 11.3648 11.3648 k = 0.4487 0.2591-0.0000 ( 4322 PWs) bands (ev): -28.1820 -28.1820 -11.0162 -11.0162 -9.9023 -9.9023 -9.8600 -9.8600 -2.3734 -2.3734 -2.3034 -2.3034 -1.6776 -1.6776 -1.6647 -1.6647 -1.4418 -1.4418 -1.2831 -1.2831 -1.0150 -1.0150 -0.9967 -0.9967 -0.9417 -0.9417 -0.8604 -0.8604 -0.4596 -0.4596 -0.2030 -0.2030 2.7957 2.7957 3.4967 3.4967 4.8466 4.8466 5.5932 5.5932 5.6632 5.6632 6.3694 6.3694 8.1687 8.1687 9.7735 9.7735 10.0113 10.0113 11.4343 11.4343 k = 0.4615 0.2665-0.0000 ( 4336 PWs) bands (ev): -28.1820 -28.1820 -11.0164 -11.0164 -9.9028 -9.9028 -9.8602 -9.8602 -2.3729 -2.3729 -2.3017 -2.3017 -1.6773 -1.6773 -1.6645 -1.6645 -1.4386 -1.4386 -1.2818 -1.2818 -1.0137 -1.0137 -0.9990 -0.9990 -0.9417 -0.9417 -0.8597 -0.8597 -0.4270 -0.4270 -0.2175 -0.2175 2.7643 2.7643 3.4814 3.4814 4.8798 4.8798 5.5817 5.5817 5.6242 5.6242 6.3585 6.3585 8.1560 8.1560 9.7846 9.7846 9.9914 9.9914 11.5006 11.5006 k = 0.4744 0.2739-0.0000 ( 4338 PWs) bands (ev): -28.1819 -28.1819 -11.0166 -11.0166 -9.9032 -9.9032 -9.8603 -9.8603 -2.3725 -2.3725 -2.3005 -2.3005 -1.6771 -1.6771 -1.6643 -1.6643 -1.4363 -1.4363 -1.2810 -1.2810 -1.0123 -1.0123 -1.0010 -1.0010 -0.9417 -0.9417 -0.8591 -0.8591 -0.3984 -0.3984 -0.2329 -0.2329 2.7417 2.7417 3.4699 3.4699 4.9072 4.9072 5.5677 5.5677 5.5990 5.5990 6.3507 6.3507 8.1468 8.1468 9.7934 9.7934 9.9760 9.9760 11.5592 11.5592 k = 0.4872 0.2813-0.0000 ( 4334 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3723 -2.3723 -2.2998 -2.2998 -1.6769 -1.6769 -1.6641 -1.6641 -1.4349 -1.4349 -1.2804 -1.2804 -1.0112 -1.0112 -1.0025 -1.0025 -0.9417 -0.9417 -0.8588 -0.8588 -0.3771 -0.3771 -0.2461 -0.2461 2.7281 2.7281 3.4629 3.4629 4.9253 4.9253 5.5530 5.5530 5.5885 5.5885 6.3460 6.3460 8.1412 8.1412 9.7991 9.7991 9.9663 9.9663 11.6021 11.6021 k = 0.5000 0.2887-0.0000 ( 4332 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3722 -2.3722 -2.2995 -2.2995 -1.6769 -1.6769 -1.6641 -1.6641 -1.4345 -1.4345 -1.2803 -1.2803 -1.0107 -1.0107 -1.0031 -1.0031 -0.9417 -0.9417 -0.8587 -0.8587 -0.3687 -0.3687 -0.2517 -0.2517 2.7235 2.7235 3.4605 3.4605 4.9318 4.9318 5.5469 5.5469 5.5859 5.5859 6.3444 6.3444 8.1394 8.1394 9.8012 9.8012 9.9629 9.9629 11.6184 11.6184 k = 0.5000 0.2887-0.0000 ( 4332 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3722 -2.3722 -2.2995 -2.2995 -1.6769 -1.6769 -1.6641 -1.6641 -1.4345 -1.4345 -1.2803 -1.2803 -1.0107 -1.0107 -1.0031 -1.0031 -0.9417 -0.9417 -0.8587 -0.8587 -0.3687 -0.3687 -0.2517 -0.2517 2.7235 2.7235 3.4605 3.4605 4.9318 4.9318 5.5469 5.5469 5.5859 5.5859 6.3444 6.3444 8.1394 8.1394 9.8012 9.8012 9.9629 9.9629 11.6184 11.6184 k = 0.4928 0.3012-0.0000 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8604 -9.8604 -2.3723 -2.3723 -2.2993 -2.2993 -1.6771 -1.6771 -1.6639 -1.6639 -1.4350 -1.4350 -1.2796 -1.2796 -1.0107 -1.0107 -1.0030 -1.0030 -0.9417 -0.9417 -0.8588 -0.8588 -0.3686 -0.3686 -0.2509 -0.2509 2.7247 2.7247 3.4596 3.4596 4.9326 4.9326 5.5447 5.5447 5.5778 5.5778 6.3416 6.3416 8.1528 8.1528 9.8034 9.8034 9.9634 9.9634 11.6118 11.6118 k = 0.4855 0.3138-0.0000 ( 4330 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9033 -9.9033 -9.8606 -9.8606 -2.3725 -2.3725 -2.2986 -2.2986 -1.6775 -1.6775 -1.6633 -1.6633 -1.4365 -1.4365 -1.2778 -1.2778 -1.0108 -1.0108 -1.0026 -1.0026 -0.9416 -0.9416 -0.8593 -0.8593 -0.3681 -0.3681 -0.2487 -0.2487 2.7281 2.7281 3.4570 3.4570 4.9352 4.9352 5.5285 5.5285 5.5638 5.5638 6.3333 6.3333 8.1923 8.1923 9.8100 9.8100 9.9648 9.9648 11.5772 11.5772 k = 0.4783 0.3263-0.0000 ( 4325 PWs) bands (ev): -28.1819 -28.1819 -11.0168 -11.0168 -9.9031 -9.9031 -9.8610 -9.8610 -2.3727 -2.3727 -2.2975 -2.2975 -1.6782 -1.6782 -1.6625 -1.6625 -1.4389 -1.4389 -1.2748 -1.2748 -1.0109 -1.0109 -1.0020 -1.0020 -0.9415 -0.9415 -0.8601 -0.8601 -0.3674 -0.3674 -0.2449 -0.2449 2.7339 2.7339 3.4526 3.4526 4.9395 4.9395 5.4841 5.4841 5.5600 5.5600 6.3197 6.3197 8.2557 8.2557 9.8205 9.8205 9.9672 9.9672 11.4956 11.4956 k = 0.4710 0.3389-0.0000 ( 4329 PWs) bands (ev): -28.1819 -28.1819 -11.0168 -11.0168 -9.9028 -9.9028 -9.8615 -9.8615 -2.3731 -2.3731 -2.2960 -2.2960 -1.6791 -1.6791 -1.6615 -1.6615 -1.4420 -1.4420 -1.2708 -1.2708 -1.0110 -1.0110 -1.0012 -1.0012 -0.9414 -0.9414 -0.8611 -0.8611 -0.3663 -0.3663 -0.2399 -0.2399 2.7418 2.7418 3.4465 3.4465 4.9451 4.9451 5.4207 5.4207 5.5607 5.5607 6.3012 6.3012 8.3402 8.3402 9.8342 9.8342 9.9704 9.9704 11.3900 11.3900 k = 0.4638 0.3514-0.0000 ( 4331 PWs) bands (ev): -28.1819 -28.1819 -11.0169 -11.0169 -9.9024 -9.9024 -9.8621 -9.8621 -2.3735 -2.3735 -2.2942 -2.2942 -1.6801 -1.6801 -1.6604 -1.6604 -1.4457 -1.4457 -1.2661 -1.2661 -1.0110 -1.0110 -1.0003 -1.0003 -0.9412 -0.9412 -0.8625 -0.8625 -0.3648 -0.3648 -0.2336 -0.2336 2.7520 2.7520 3.4388 3.4388 4.9516 4.9516 5.3448 5.3448 5.5626 5.5626 6.2783 6.2783 8.4424 8.4424 9.8502 9.8502 9.9745 9.9745 11.2779 11.2779 k = 0.4565 0.3640-0.0000 ( 4335 PWs) bands (ev): -28.1819 -28.1819 -11.0170 -11.0170 -9.9020 -9.9020 -9.8629 -9.8629 -2.3740 -2.3740 -2.2920 -2.2920 -1.6811 -1.6811 -1.6591 -1.6591 -1.4499 -1.4499 -1.2608 -1.2608 -1.0109 -1.0109 -0.9993 -0.9993 -0.9410 -0.9410 -0.8642 -0.8642 -0.3627 -0.3627 -0.2263 -0.2263 2.7644 2.7644 3.4294 3.4294 4.9577 4.9577 5.2613 5.2613 5.5650 5.5650 6.2515 6.2515 8.5589 8.5589 9.8675 9.8675 9.9793 9.9793 11.1652 11.1652 k = 0.4493 0.3765-0.0000 ( 4339 PWs) bands (ev): -28.1818 -28.1818 -11.0171 -11.0171 -9.9015 -9.9015 -9.8638 -9.8638 -2.3745 -2.3745 -2.2896 -2.2896 -1.6821 -1.6821 -1.6578 -1.6578 -1.4543 -1.4543 -1.2551 -1.2551 -1.0106 -1.0106 -0.9981 -0.9981 -0.9408 -0.9408 -0.8661 -0.8661 -0.3600 -0.3600 -0.2182 -0.2182 2.7788 2.7788 3.4184 3.4184 4.9600 4.9600 5.1768 5.1768 5.5677 5.5677 6.2216 6.2216 8.6868 8.6868 9.8849 9.8849 9.9848 9.9848 11.0546 11.0546 k = 0.4420 0.3891-0.0000 ( 4335 PWs) bands (ev): -28.1818 -28.1818 -11.0172 -11.0172 -9.9009 -9.9009 -9.8648 -9.8648 -2.3749 -2.3749 -2.2870 -2.2870 -1.6831 -1.6831 -1.6565 -1.6565 -1.4589 -1.4589 -1.2492 -1.2492 -1.0102 -1.0102 -0.9968 -0.9968 -0.9405 -0.9405 -0.8683 -0.8683 -0.3566 -0.3566 -0.2093 -0.2093 2.7951 2.7951 3.4059 3.4059 4.9465 4.9465 5.1054 5.1054 5.5702 5.5702 6.1893 6.1893 8.8231 8.8231 9.9015 9.9015 9.9908 9.9908 10.9483 10.9483 k = 0.4348 0.4016-0.0000 ( 4339 PWs) bands (ev): -28.1818 -28.1818 -11.0173 -11.0173 -9.9002 -9.9002 -9.8659 -9.8659 -2.3754 -2.3754 -2.2843 -2.2843 -1.6841 -1.6841 -1.6551 -1.6551 -1.4635 -1.4635 -1.2433 -1.2433 -1.0097 -1.0097 -0.9953 -0.9953 -0.9401 -0.9401 -0.8708 -0.8708 -0.3526 -0.3526 -0.2000 -0.2000 2.8133 2.8133 3.3920 3.3920 4.8954 4.8954 5.0714 5.0714 5.5725 5.5725 6.1552 6.1552 8.9653 8.9653 9.9162 9.9162 9.9971 9.9971 10.8479 10.8479 k = 0.4275 0.4142-0.0000 ( 4341 PWs) bands (ev): -28.1818 -28.1818 -11.0175 -11.0175 -9.8995 -9.8995 -9.8671 -9.8671 -2.3759 -2.3759 -2.2814 -2.2814 -1.6850 -1.6850 -1.6538 -1.6538 -1.4680 -1.4680 -1.2374 -1.2374 -1.0092 -1.0092 -0.9936 -0.9936 -0.9397 -0.9397 -0.8735 -0.8735 -0.3478 -0.3478 -0.1904 -0.1904 2.8332 2.8332 3.3768 3.3768 4.8125 4.8125 5.0705 5.0705 5.5741 5.5741 6.1201 6.1201 9.1107 9.1107 9.9280 9.9280 10.0036 10.0036 10.7554 10.7554 k = 0.4203 0.4267-0.0000 ( 4347 PWs) bands (ev): -28.1818 -28.1818 -11.0176 -11.0176 -9.8987 -9.8987 -9.8684 -9.8684 -2.3763 -2.3763 -2.2786 -2.2786 -1.6858 -1.6858 -1.6525 -1.6525 -1.4725 -1.4725 -1.2317 -1.2317 -1.0086 -1.0086 -0.9916 -0.9916 -0.9393 -0.9393 -0.8764 -0.8764 -0.3423 -0.3423 -0.1807 -0.1807 2.8546 2.8546 3.3605 3.3605 4.7188 4.7188 5.0832 5.0832 5.5748 5.5748 6.0845 6.0845 9.2568 9.2568 9.9362 9.9362 10.0100 10.0100 10.6730 10.6730 k = 0.4130 0.4393-0.0000 ( 4347 PWs) bands (ev): -28.1817 -28.1817 -11.0177 -11.0177 -9.8979 -9.8979 -9.8698 -9.8698 -2.3767 -2.3767 -2.2757 -2.2757 -1.6866 -1.6866 -1.6511 -1.6511 -1.4767 -1.4767 -1.2263 -1.2263 -1.0082 -1.0082 -0.9893 -0.9893 -0.9388 -0.9388 -0.8795 -0.8795 -0.3360 -0.3360 -0.1711 -0.1711 2.8772 2.8772 3.3433 3.3433 4.6233 4.6233 5.1019 5.1019 5.5743 5.5743 6.0492 6.0492 9.4005 9.4005 9.9395 9.9395 10.0166 10.0166 10.6036 10.6036 k = 0.4058 0.4518-0.0000 ( 4351 PWs) bands (ev): -28.1817 -28.1817 -11.0179 -11.0179 -9.8970 -9.8970 -9.8712 -9.8712 -2.3770 -2.3770 -2.2729 -2.2729 -1.6873 -1.6873 -1.6499 -1.6499 -1.4806 -1.4806 -1.2212 -1.2212 -1.0078 -1.0078 -0.9866 -0.9866 -0.9382 -0.9382 -0.8827 -0.8827 -0.3291 -0.3291 -0.1619 -0.1619 2.9008 2.9008 3.3254 3.3254 4.5295 4.5295 5.1241 5.1241 5.5724 5.5724 6.0145 6.0145 9.5378 9.5378 9.9369 9.9369 10.0236 10.0236 10.5507 10.5507 k = 0.3986 0.4644-0.0000 ( 4351 PWs) bands (ev): -28.1817 -28.1817 -11.0180 -11.0180 -9.8960 -9.8960 -9.8727 -9.8727 -2.3773 -2.3773 -2.2703 -2.2703 -1.6879 -1.6879 -1.6487 -1.6487 -1.4842 -1.4842 -1.2165 -1.2165 -1.0075 -1.0075 -0.9838 -0.9838 -0.9376 -0.9376 -0.8860 -0.8860 -0.3216 -0.3216 -0.1532 -0.1532 2.9249 2.9249 3.3070 3.3070 4.4395 4.4395 5.1488 5.1488 5.5688 5.5688 5.9811 5.9811 9.6633 9.6633 9.9279 9.9279 10.0322 10.0322 10.5186 10.5186 k = 0.3913 0.4769-0.0000 ( 4351 PWs) bands (ev): -28.1817 -28.1817 -11.0182 -11.0182 -9.8950 -9.8950 -9.8742 -9.8742 -2.3775 -2.3775 -2.2677 -2.2677 -1.6884 -1.6884 -1.6475 -1.6475 -1.4875 -1.4875 -1.2123 -1.2123 -1.0073 -1.0073 -0.9807 -0.9807 -0.9370 -0.9370 -0.8894 -0.8894 -0.3135 -0.3135 -0.1453 -0.1453 2.9491 2.9491 3.2886 3.2886 4.3546 4.3546 5.1755 5.1755 5.5633 5.5633 5.9493 5.9493 9.7680 9.7680 9.9145 9.9145 10.0437 10.0437 10.5121 10.5121 k = 0.3841 0.4895-0.0000 ( 4361 PWs) bands (ev): -28.1816 -28.1816 -11.0183 -11.0183 -9.8940 -9.8940 -9.8757 -9.8757 -2.3777 -2.3777 -2.2654 -2.2654 -1.6889 -1.6889 -1.6465 -1.6465 -1.4904 -1.4904 -1.2086 -1.2086 -1.0072 -1.0072 -0.9776 -0.9776 -0.9363 -0.9363 -0.8928 -0.8928 -0.3050 -0.3050 -0.1384 -0.1384 2.9727 2.9727 3.2706 3.2706 4.2763 4.2763 5.2040 5.2040 5.5556 5.5556 5.9194 5.9194 9.8328 9.8328 9.9100 9.9100 10.0591 10.0591 10.5353 10.5353 k = 0.3768 0.5020-0.0000 ( 4369 PWs) bands (ev): -28.1816 -28.1816 -11.0184 -11.0184 -9.8929 -9.8929 -9.8772 -9.8772 -2.3779 -2.3779 -2.2633 -2.2633 -1.6892 -1.6892 -1.6455 -1.6455 -1.4930 -1.4930 -1.2053 -1.2053 -1.0072 -1.0072 -0.9746 -0.9746 -0.9355 -0.9355 -0.8961 -0.8961 -0.2962 -0.2962 -0.1326 -0.1326 2.9951 2.9951 3.2534 3.2534 4.2055 4.2055 5.2339 5.2339 5.5455 5.5455 5.8918 5.8918 9.8347 9.8347 9.9368 9.9368 10.0777 10.0777 10.5889 10.5889 k = 0.3696 0.5146-0.0000 ( 4369 PWs) bands (ev): -28.1816 -28.1816 -11.0186 -11.0186 -9.8918 -9.8918 -9.8787 -9.8787 -2.3780 -2.3780 -2.2615 -2.2615 -1.6895 -1.6895 -1.6446 -1.6446 -1.4951 -1.4951 -1.2025 -1.2025 -1.0072 -1.0072 -0.9717 -0.9717 -0.9346 -0.9346 -0.8992 -0.8992 -0.2874 -0.2874 -0.1281 -0.1281 3.0152 3.0152 3.2377 3.2377 4.1436 4.1436 5.2649 5.2649 5.5330 5.5330 5.8667 5.8667 9.8125 9.8125 9.9645 9.9645 10.0955 10.0955 10.6678 10.6678 k = 0.3623 0.5271-0.0000 ( 4365 PWs) bands (ev): -28.1816 -28.1816 -11.0187 -11.0187 -9.8906 -9.8906 -9.8802 -9.8802 -2.3781 -2.3781 -2.2599 -2.2599 -1.6898 -1.6898 -1.6439 -1.6439 -1.4968 -1.4968 -1.2003 -1.2003 -1.0073 -1.0073 -0.9692 -0.9692 -0.9336 -0.9336 -0.9022 -0.9022 -0.2789 -0.2789 -0.1249 -0.1249 3.0323 3.0323 3.2243 3.2243 4.0915 4.0915 5.2967 5.2967 5.5179 5.5179 5.8447 5.8447 9.7880 9.7880 9.9828 9.9828 10.1090 10.1090 10.7630 10.7630 k = 0.3551 0.5397-0.0000 ( 4359 PWs) bands (ev): -28.1816 -28.1816 -11.0187 -11.0187 -9.8895 -9.8895 -9.8816 -9.8816 -2.3781 -2.3781 -2.2587 -2.2587 -1.6899 -1.6899 -1.6433 -1.6433 -1.4981 -1.4981 -1.1985 -1.1985 -1.0074 -1.0074 -0.9671 -0.9671 -0.9326 -0.9326 -0.9047 -0.9047 -0.2711 -0.2711 -0.1230 -0.1230 3.0453 3.0453 3.2137 3.2137 4.0501 4.0501 5.3289 5.3289 5.5001 5.5001 5.8263 5.8263 9.7663 9.7663 9.9951 9.9951 10.1174 10.1174 10.8655 10.8655 k = 0.3478 0.5522-0.0000 ( 4361 PWs) bands (ev): -28.1816 -28.1816 -11.0188 -11.0188 -9.8883 -9.8883 -9.8830 -9.8830 -2.3782 -2.3782 -2.2578 -2.2578 -1.6900 -1.6900 -1.6429 -1.6429 -1.4990 -1.4990 -1.1972 -1.1972 -1.0075 -1.0075 -0.9656 -0.9656 -0.9317 -0.9317 -0.9067 -0.9067 -0.2646 -0.2646 -0.1222 -0.1222 3.0537 3.0537 3.2065 3.2065 4.0204 4.0204 5.3608 5.3608 5.4793 5.4793 5.8120 5.8120 9.7496 9.7496 10.0038 10.0038 10.1216 10.1216 10.9674 10.9674 k = 0.3406 0.5648-0.0000 ( 4355 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8872 -9.8872 -9.8842 -9.8842 -2.3782 -2.3782 -2.2573 -2.2573 -1.6901 -1.6901 -1.6426 -1.6426 -1.4995 -1.4995 -1.1965 -1.1965 -1.0075 -1.0075 -0.9647 -0.9647 -0.9310 -0.9310 -0.9080 -0.9080 -0.2601 -0.2601 -0.1221 -0.1221 3.0580 3.0580 3.2026 3.2026 4.0026 4.0026 5.3912 5.3912 5.4562 5.4562 5.8028 5.8028 9.7391 9.7391 10.0094 10.0094 10.1229 10.1229 11.0581 11.0581 k = 0.3333 0.5774-0.0000 ( 4359 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3782 -2.3782 -2.2571 -2.2571 -1.6901 -1.6901 -1.6425 -1.6425 -1.4996 -1.4996 -1.1962 -1.1962 -1.0076 -1.0076 -0.9645 -0.9645 -0.9308 -0.9308 -0.9085 -0.9085 -0.2583 -0.2583 -0.1222 -0.1222 3.0590 3.0590 3.2014 3.2014 3.9967 3.9967 5.4112 5.4112 5.4389 5.4389 5.7995 5.7995 9.7355 9.7355 10.0116 10.0116 10.1229 10.1229 11.1040 11.1040 k = 0.3333 0.5774-0.0000 ( 4359 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3782 -2.3782 -2.2571 -2.2571 -1.6901 -1.6901 -1.6425 -1.6425 -1.4996 -1.4996 -1.1962 -1.1962 -1.0076 -1.0076 -0.9645 -0.9645 -0.9308 -0.9308 -0.9085 -0.9085 -0.2583 -0.2583 -0.1222 -0.1222 3.0590 3.0590 3.2014 3.2014 3.9967 3.9967 5.4112 5.4112 5.4389 5.4389 5.7995 5.7995 9.7355 9.7355 10.0116 10.0116 10.1229 10.1229 11.1040 11.1040 k = 0.3259 0.5645-0.0000 ( 4357 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8872 -9.8872 -9.8842 -9.8842 -2.3782 -2.3782 -2.2573 -2.2573 -1.6901 -1.6901 -1.6426 -1.6426 -1.4995 -1.4995 -1.1965 -1.1965 -1.0075 -1.0075 -0.9647 -0.9647 -0.9311 -0.9311 -0.9080 -0.9080 -0.2604 -0.2604 -0.1219 -0.1219 3.0585 3.0585 3.2025 3.2025 4.0026 4.0026 5.3897 5.3897 5.4575 5.4575 5.8032 5.8032 9.7393 9.7393 10.0088 10.0088 10.1236 10.1236 11.0725 11.0725 k = 0.3185 0.5517-0.0000 ( 4357 PWs) bands (ev): -28.1816 -28.1816 -11.0188 -11.0188 -9.8882 -9.8882 -9.8830 -9.8830 -2.3782 -2.3782 -2.2579 -2.2579 -1.6900 -1.6900 -1.6429 -1.6429 -1.4990 -1.4990 -1.1973 -1.1973 -1.0074 -1.0074 -0.9655 -0.9655 -0.9318 -0.9318 -0.9068 -0.9068 -0.2672 -0.2672 -0.1206 -0.1206 3.0579 3.0579 3.2055 3.2055 4.0194 4.0194 5.3550 5.3550 5.4832 5.4832 5.8147 5.8147 9.7506 9.7506 9.9998 9.9998 10.1269 10.1269 11.0217 11.0217 k = 0.3111 0.5389-0.0000 ( 4373 PWs) bands (ev): -28.1816 -28.1816 -11.0187 -11.0187 -9.8892 -9.8892 -9.8818 -9.8818 -2.3782 -2.3782 -2.2589 -2.2589 -1.6900 -1.6900 -1.6434 -1.6434 -1.4984 -1.4984 -1.1987 -1.1987 -1.0072 -1.0072 -0.9668 -0.9668 -0.9328 -0.9328 -0.9051 -0.9051 -0.2789 -0.2789 -0.1182 -0.1182 3.0587 3.0587 3.2107 3.2107 4.0460 4.0460 5.3161 5.3161 5.5072 5.5072 5.8342 5.8342 9.7689 9.7689 9.9843 9.9843 10.1337 10.1337 10.9681 10.9681 k = 0.3037 0.5260-0.0000 ( 4365 PWs) bands (ev): -28.1816 -28.1816 -11.0186 -11.0186 -9.8901 -9.8901 -9.8805 -9.8805 -2.3782 -2.3782 -2.2603 -2.2603 -1.6899 -1.6899 -1.6440 -1.6440 -1.4976 -1.4976 -1.2006 -1.2006 -1.0069 -1.0069 -0.9684 -0.9684 -0.9339 -0.9339 -0.9031 -0.9031 -0.2955 -0.2955 -0.1150 -0.1150 3.0618 3.0618 3.2186 3.2186 4.0809 4.0809 5.2740 5.2740 5.5293 5.5293 5.8613 5.8613 9.7926 9.7926 9.9643 9.9643 10.1438 10.1438 10.9139 10.9139 k = 0.2963 0.5132-0.0000 ( 4357 PWs) bands (ev): -28.1816 -28.1816 -11.0184 -11.0184 -9.8909 -9.8909 -9.8792 -9.8792 -2.3783 -2.3783 -2.2621 -2.2621 -1.6898 -1.6898 -1.6448 -1.6448 -1.4967 -1.4967 -1.2031 -1.2031 -1.0064 -1.0064 -0.9702 -0.9702 -0.9350 -0.9350 -0.9010 -0.9010 -0.3164 -0.3164 -0.1113 -0.1113 3.0680 3.0680 3.2299 3.2299 4.1228 4.1228 5.2296 5.2296 5.5501 5.5501 5.8953 5.8953 9.8169 9.8169 9.9454 9.9454 10.1564 10.1564 10.8597 10.8597 k = 0.2889 0.5004-0.0000 ( 4353 PWs) bands (ev): -28.1816 -28.1816 -11.0182 -11.0182 -9.8916 -9.8916 -9.8779 -9.8779 -2.3784 -2.3784 -2.2643 -2.2643 -1.6898 -1.6898 -1.6457 -1.6457 -1.4958 -1.4958 -1.2062 -1.2062 -1.0058 -1.0058 -0.9722 -0.9722 -0.9361 -0.9361 -0.8989 -0.8989 -0.3412 -0.3412 -0.1078 -0.1078 3.0778 3.0778 3.2449 3.2449 4.1701 4.1701 5.1837 5.1837 5.5703 5.5703 5.9350 5.9350 9.8279 9.8279 9.9421 9.9421 10.1706 10.1706 10.8062 10.8062 k = 0.2815 0.4875-0.0000 ( 4349 PWs) bands (ev): -28.1817 -28.1817 -11.0180 -11.0180 -9.8922 -9.8922 -9.8767 -9.8767 -2.3786 -2.3786 -2.2669 -2.2669 -1.6898 -1.6898 -1.6468 -1.6468 -1.4950 -1.4950 -1.2099 -1.2099 -1.0052 -1.0052 -0.9744 -0.9744 -0.9371 -0.9371 -0.8970 -0.8970 -0.3693 -0.3693 -0.1048 -0.1048 3.0916 3.0916 3.2641 3.2641 4.2216 4.2216 5.1375 5.1375 5.5910 5.5910 5.9795 5.9795 9.8117 9.8117 9.9687 9.9687 10.1856 10.1856 10.7537 10.7537 k = 0.2741 0.4747-0.0000 ( 4353 PWs) bands (ev): -28.1817 -28.1817 -11.0177 -11.0177 -9.8926 -9.8926 -9.8754 -9.8754 -2.3788 -2.3788 -2.2699 -2.2699 -1.6897 -1.6897 -1.6479 -1.6479 -1.4944 -1.4944 -1.2141 -1.2141 -1.0044 -1.0044 -0.9766 -0.9766 -0.9380 -0.9380 -0.8952 -0.8952 -0.3999 -0.3999 -0.1028 -0.1028 3.1099 3.1099 3.2876 3.2876 4.2758 4.2758 5.0921 5.0921 5.6127 5.6127 6.0278 6.0278 9.7781 9.7781 10.0159 10.0159 10.2007 10.2007 10.7028 10.7028 k = 0.2667 0.4619-0.0000 ( 4337 PWs) bands (ev): -28.1818 -28.1818 -11.0173 -11.0173 -9.8930 -9.8930 -9.8741 -9.8741 -2.3792 -2.3792 -2.2733 -2.2733 -1.6897 -1.6897 -1.6492 -1.6492 -1.4940 -1.4940 -1.2189 -1.2189 -1.0036 -1.0036 -0.9787 -0.9787 -0.9388 -0.9388 -0.8937 -0.8937 -0.4326 -0.4326 -0.1019 -0.1019 3.1329 3.1329 3.3152 3.3152 4.3313 4.3313 5.0494 5.0494 5.6361 5.6361 6.0793 6.0793 9.7370 9.7370 10.0733 10.0733 10.2149 10.2149 10.6544 10.6544 k = 0.2593 0.4491-0.0000 ( 4335 PWs) bands (ev): -28.1818 -28.1818 -11.0169 -11.0169 -9.8932 -9.8932 -9.8728 -9.8728 -2.3797 -2.3797 -2.2770 -2.2770 -1.6898 -1.6898 -1.6506 -1.6506 -1.4940 -1.4940 -1.2243 -1.2243 -1.0030 -1.0030 -0.9807 -0.9807 -0.9394 -0.9394 -0.8925 -0.8925 -0.4667 -0.4667 -0.1026 -0.1026 3.1607 3.1607 3.3467 3.3467 4.3860 4.3860 5.0116 5.0116 5.6616 5.6616 6.1333 6.1333 9.6925 9.6925 10.1355 10.1355 10.2281 10.2281 10.6099 10.6099 k = 0.2519 0.4362-0.0000 ( 4331 PWs) bands (ev): -28.1819 -28.1819 -11.0165 -11.0165 -9.8933 -9.8933 -9.8715 -9.8715 -2.3804 -2.3804 -2.2812 -2.2812 -1.6899 -1.6899 -1.6520 -1.6520 -1.4944 -1.4944 -1.2302 -1.2302 -1.0025 -1.0025 -0.9824 -0.9824 -0.9399 -0.9399 -0.8915 -0.8915 -0.5017 -0.5017 -0.1047 -0.1047 3.1936 3.1936 3.3813 3.3813 4.4374 4.4374 4.9818 4.9818 5.6894 5.6894 6.1895 6.1895 9.6463 9.6463 10.1914 10.1914 10.2472 10.2472 10.5709 10.5709 k = 0.2444 0.4234-0.0000 ( 4331 PWs) bands (ev): -28.1820 -28.1820 -11.0160 -11.0160 -9.8932 -9.8932 -9.8702 -9.8702 -2.3814 -2.3814 -2.2856 -2.2856 -1.6900 -1.6900 -1.6535 -1.6535 -1.4954 -1.4954 -1.2367 -1.2367 -1.0024 -1.0024 -0.9836 -0.9836 -0.9404 -0.9404 -0.8910 -0.8910 -0.5369 -0.5369 -0.1086 -0.1086 3.2315 3.2315 3.4184 3.4184 4.4822 4.4822 4.9639 4.9639 5.7199 5.7199 6.2475 6.2475 9.5994 9.5994 10.2101 10.2101 10.2983 10.2983 10.5399 10.5399 k = 0.2370 0.4106-0.0000 ( 4331 PWs) bands (ev): -28.1820 -28.1820 -11.0155 -11.0155 -9.8931 -9.8931 -9.8689 -9.8689 -2.3827 -2.3827 -2.2903 -2.2903 -1.6903 -1.6903 -1.6550 -1.6550 -1.4971 -1.4971 -1.2436 -1.2436 -1.0028 -1.0028 -0.9843 -0.9843 -0.9407 -0.9407 -0.8907 -0.8907 -0.5719 -0.5719 -0.1141 -0.1141 3.2744 3.2744 3.4568 3.4568 4.5171 4.5171 4.9625 4.9625 5.7531 5.7531 6.3070 6.3070 9.5527 9.5527 10.2014 10.2014 10.3665 10.3665 10.5191 10.5191 k = 0.2296 0.3977-0.0000 ( 4335 PWs) bands (ev): -28.1821 -28.1821 -11.0149 -11.0149 -9.8929 -9.8929 -9.8675 -9.8675 -2.3845 -2.3845 -2.2953 -2.2953 -1.6905 -1.6905 -1.6565 -1.6565 -1.4995 -1.4995 -1.2510 -1.2510 -1.0039 -1.0039 -0.9843 -0.9843 -0.9411 -0.9411 -0.8909 -0.8909 -0.6060 -0.6060 -0.1213 -0.1213 3.3220 3.3220 3.4952 3.4952 4.5407 4.5407 4.9801 4.9801 5.7891 5.7891 6.3678 6.3678 9.5066 9.5066 10.1785 10.1785 10.4308 10.4308 10.5110 10.5110 k = 0.2222 0.3849-0.0000 ( 4325 PWs) bands (ev): -28.1822 -28.1822 -11.0143 -11.0143 -9.8926 -9.8926 -9.8662 -9.8662 -2.3867 -2.3867 -2.3003 -2.3003 -1.6909 -1.6909 -1.6581 -1.6581 -1.5027 -1.5027 -1.2588 -1.2588 -1.0054 -1.0054 -0.9838 -0.9838 -0.9416 -0.9416 -0.8915 -0.8915 -0.6387 -0.6387 -0.1300 -0.1300 3.3737 3.3737 3.5323 3.5323 4.5553 4.5553 5.0162 5.0162 5.8280 5.8280 6.4296 6.4296 9.4617 9.4617 10.1450 10.1450 10.4695 10.4695 10.5209 10.5209 k = 0.2148 0.3721-0.0000 ( 4323 PWs) bands (ev): -28.1823 -28.1823 -11.0136 -11.0136 -9.8922 -9.8922 -9.8648 -9.8648 -2.3895 -2.3895 -2.3055 -2.3055 -1.6914 -1.6914 -1.6596 -1.6596 -1.5068 -1.5068 -1.2670 -1.2670 -1.0074 -1.0074 -0.9829 -0.9829 -0.9424 -0.9424 -0.8924 -0.8924 -0.6694 -0.6694 -0.1402 -0.1402 3.4280 3.4280 3.5675 3.5675 4.5667 4.5667 5.0668 5.0668 5.8699 5.8699 6.4922 6.4922 9.4184 9.4184 10.1036 10.1036 10.4783 10.4783 10.5248 10.5248 k = 0.2074 0.3592-0.0000 ( 4323 PWs) bands (ev): -28.1824 -28.1824 -11.0129 -11.0129 -9.8917 -9.8917 -9.8634 -9.8634 -2.3932 -2.3932 -2.3106 -2.3106 -1.6919 -1.6919 -1.6611 -1.6611 -1.5119 -1.5119 -1.2754 -1.2754 -1.0096 -1.0096 -0.9817 -0.9817 -0.9437 -0.9437 -0.8936 -0.8936 -0.6977 -0.6977 -0.1518 -0.1518 3.4813 3.4813 3.6021 3.6021 4.5811 4.5811 5.1275 5.1275 5.9147 5.9147 6.5555 6.5555 9.3770 9.3770 10.0565 10.0565 10.4730 10.4730 10.5047 10.5047 k = 0.2000 0.3464-0.0000 ( 4339 PWs) bands (ev): -28.1825 -28.1825 -11.0122 -11.0122 -9.8912 -9.8912 -9.8619 -9.8619 -2.3978 -2.3978 -2.3155 -2.3155 -1.6926 -1.6926 -1.6625 -1.6625 -1.5181 -1.5181 -1.2840 -1.2840 -1.0120 -1.0120 -0.9804 -0.9804 -0.9458 -0.9458 -0.8948 -0.8948 -0.7231 -0.7231 -0.1647 -0.1647 3.5253 3.5253 3.6426 3.6426 4.6034 4.6034 5.1948 5.1948 5.9624 5.9624 6.6192 6.6192 9.3379 9.3379 10.0050 10.0050 10.4423 10.4423 10.4933 10.4933 k = 0.1926 0.3336-0.0000 ( 4327 PWs) bands (ev): -28.1826 -28.1826 -11.0114 -11.0114 -9.8907 -9.8907 -9.8604 -9.8604 -2.4034 -2.4034 -2.3201 -2.3201 -1.6934 -1.6934 -1.6639 -1.6639 -1.5253 -1.5253 -1.2926 -1.2926 -1.0144 -1.0144 -0.9790 -0.9790 -0.9490 -0.9490 -0.8959 -0.8959 -0.7452 -0.7452 -0.1787 -0.1787 3.5498 3.5498 3.6978 3.6978 4.6371 4.6371 5.2662 5.2662 6.0130 6.0130 6.6832 6.6832 9.3012 9.3012 9.9499 9.9499 10.3973 10.3973 10.4890 10.4890 k = 0.1852 0.3208-0.0000 ( 4331 PWs) bands (ev): -28.1827 -28.1827 -11.0106 -11.0106 -9.8901 -9.8901 -9.8589 -9.8589 -2.4102 -2.4102 -2.3243 -2.3243 -1.6944 -1.6944 -1.6652 -1.6652 -1.5335 -1.5335 -1.3013 -1.3013 -1.0168 -1.0168 -0.9778 -0.9778 -0.9536 -0.9536 -0.8965 -0.8965 -0.7641 -0.7641 -0.1936 -0.1936 3.5547 3.5547 3.7676 3.7676 4.6835 4.6835 5.3399 5.3399 6.0665 6.0665 6.7472 6.7472 9.2672 9.2672 9.8916 9.8916 10.3486 10.3486 10.4836 10.4836 k = 0.1778 0.3079-0.0000 ( 4341 PWs) bands (ev): -28.1828 -28.1828 -11.0098 -11.0098 -9.8895 -9.8895 -9.8573 -9.8573 -2.4182 -2.4182 -2.3281 -2.3281 -1.6955 -1.6955 -1.6664 -1.6664 -1.5428 -1.5428 -1.3098 -1.3098 -1.0192 -1.0192 -0.9770 -0.9770 -0.9592 -0.9592 -0.8964 -0.8964 -0.7797 -0.7797 -0.2093 -0.2093 3.5452 3.5452 3.8472 3.8472 4.7427 4.7427 5.4147 5.4147 6.1227 6.1227 6.8112 6.8112 9.2359 9.2359 9.8302 9.8302 10.2989 10.2989 10.4758 10.4758 k = 0.1704 0.2951-0.0000 ( 4329 PWs) bands (ev): -28.1830 -28.1830 -11.0090 -11.0090 -9.8889 -9.8889 -9.8557 -9.8557 -2.4275 -2.4275 -2.3315 -2.3315 -1.6967 -1.6967 -1.6674 -1.6674 -1.5529 -1.5529 -1.3182 -1.3182 -1.0215 -1.0215 -0.9774 -0.9774 -0.9649 -0.9649 -0.8957 -0.8957 -0.7924 -0.7924 -0.2256 -0.2256 3.5256 3.5256 3.9338 3.9338 4.8140 4.8140 5.4897 5.4897 6.1818 6.1818 6.8749 6.8749 9.2075 9.2075 9.7653 9.7653 10.2493 10.2493 10.4657 10.4657 k = 0.1630 0.2823-0.0000 ( 4325 PWs) bands (ev): -28.1831 -28.1831 -11.0082 -11.0082 -9.8883 -9.8883 -9.8540 -9.8540 -2.4378 -2.4378 -2.3344 -2.3344 -1.6981 -1.6981 -1.6684 -1.6684 -1.5637 -1.5637 -1.3262 -1.3262 -1.0237 -1.0237 -0.9811 -0.9811 -0.9682 -0.9682 -0.8942 -0.8942 -0.8025 -0.8025 -0.2423 -0.2423 3.4986 3.4986 4.0258 4.0258 4.8960 4.8960 5.5641 5.5641 6.2435 6.2435 6.9381 6.9381 9.1818 9.1818 9.6968 9.6968 10.2006 10.2006 10.4538 10.4538 k = 0.1556 0.2694-0.0000 ( 4325 PWs) bands (ev): -28.1832 -28.1832 -11.0073 -11.0073 -9.8878 -9.8878 -9.8523 -9.8523 -2.4492 -2.4492 -2.3370 -2.3370 -1.6996 -1.6996 -1.6693 -1.6693 -1.5752 -1.5752 -1.3340 -1.3340 -1.0257 -1.0257 -0.9880 -0.9880 -0.9685 -0.9685 -0.8923 -0.8923 -0.8107 -0.8107 -0.2594 -0.2594 3.4663 3.4663 4.1225 4.1225 4.9874 4.9874 5.6372 5.6372 6.3077 6.3077 7.0006 7.0006 9.1587 9.1587 9.6244 9.6244 10.1532 10.1532 10.4408 10.4408 k = 0.1481 0.2566-0.0000 ( 4313 PWs) bands (ev): -28.1833 -28.1833 -11.0065 -11.0065 -9.8872 -9.8872 -9.8505 -9.8505 -2.4616 -2.4616 -2.3392 -2.3392 -1.7013 -1.7013 -1.6701 -1.6701 -1.5869 -1.5869 -1.3413 -1.3413 -1.0277 -1.0277 -0.9959 -0.9959 -0.9679 -0.9679 -0.8899 -0.8899 -0.8172 -0.8172 -0.2766 -0.2766 3.4305 3.4305 4.2235 4.2235 5.0869 5.0869 5.7086 5.7086 6.3743 6.3743 7.0622 7.0622 9.1379 9.1379 9.5478 9.5478 10.1076 10.1076 10.4277 10.4277 k = 0.1407 0.2438-0.0000 ( 4315 PWs) bands (ev): -28.1834 -28.1834 -11.0056 -11.0056 -9.8867 -9.8867 -9.8487 -9.8487 -2.4747 -2.4747 -2.3413 -2.3413 -1.7031 -1.7031 -1.6708 -1.6708 -1.5987 -1.5987 -1.3483 -1.3483 -1.0296 -1.0296 -1.0037 -1.0037 -0.9669 -0.9669 -0.8874 -0.8874 -0.8225 -0.8225 -0.2938 -0.2938 3.3923 3.3923 4.3282 4.3282 5.1933 5.1933 5.7778 5.7778 6.4432 6.4432 7.1227 7.1227 9.1189 9.1189 9.4669 9.4669 10.0640 10.0640 10.4155 10.4155 k = 0.1333 0.2309-0.0000 ( 4319 PWs) bands (ev): -28.1836 -28.1836 -11.0048 -11.0048 -9.8863 -9.8863 -9.8468 -9.8468 -2.4884 -2.4884 -2.3431 -2.3431 -1.7050 -1.7050 -1.6715 -1.6715 -1.6105 -1.6105 -1.3549 -1.3549 -1.0314 -1.0314 -1.0109 -1.0109 -0.9658 -0.9658 -0.8846 -0.8846 -0.8269 -0.8269 -0.3109 -0.3109 3.3530 3.3530 4.4364 4.4364 5.3057 5.3057 5.8443 5.8443 6.5142 6.5142 7.1820 7.1820 9.1011 9.1011 9.3817 9.3817 10.0229 10.0229 10.4050 10.4050 k = 0.1259 0.2181-0.0000 ( 4325 PWs) bands (ev): -28.1837 -28.1837 -11.0040 -11.0040 -9.8858 -9.8858 -9.8450 -9.8450 -2.5026 -2.5026 -2.3449 -2.3449 -1.7070 -1.7070 -1.6722 -1.6722 -1.6218 -1.6218 -1.3610 -1.3610 -1.0333 -1.0333 -1.0172 -1.0172 -0.9648 -0.9648 -0.8819 -0.8819 -0.8306 -0.8306 -0.3277 -0.3277 3.3132 3.3132 4.5477 4.5477 5.4233 5.4233 5.9080 5.9080 6.5871 6.5871 7.2399 7.2399 9.0833 9.0833 9.2926 9.2926 9.9842 9.9842 10.3969 10.3969 k = 0.1185 0.2053-0.0000 ( 4329 PWs) bands (ev): -28.1838 -28.1838 -11.0032 -11.0032 -9.8854 -9.8854 -9.8431 -9.8431 -2.5172 -2.5172 -2.3465 -2.3465 -1.7091 -1.7091 -1.6731 -1.6731 -1.6325 -1.6325 -1.3668 -1.3668 -1.0355 -1.0355 -1.0222 -1.0222 -0.9637 -0.9637 -0.8792 -0.8792 -0.8336 -0.8336 -0.3441 -0.3441 3.2737 3.2737 4.6619 4.6619 5.5451 5.5451 5.9685 5.9685 6.6616 6.6616 7.2961 7.2961 9.0631 9.0631 9.2014 9.2014 9.9480 9.9480 10.3912 10.3912 k = 0.1111 0.1925-0.0000 ( 4329 PWs) bands (ev): -28.1839 -28.1839 -11.0024 -11.0024 -9.8851 -9.8851 -9.8412 -9.8412 -2.5318 -2.5318 -2.3480 -2.3480 -1.7112 -1.7112 -1.6744 -1.6744 -1.6422 -1.6422 -1.3722 -1.3722 -1.0382 -1.0382 -1.0257 -1.0257 -0.9627 -0.9627 -0.8768 -0.8768 -0.8361 -0.8361 -0.3601 -0.3601 3.2349 3.2349 4.7786 4.7786 5.6703 5.6703 6.0260 6.0260 6.7375 6.7375 7.3506 7.3506 9.0319 9.0319 9.1162 9.1162 9.9140 9.9140 10.3771 10.3771 k = 0.1037 0.1796-0.0000 ( 4331 PWs) bands (ev): -28.1840 -28.1840 -11.0016 -11.0016 -9.8848 -9.8848 -9.8394 -9.8394 -2.5465 -2.5465 -2.3495 -2.3495 -1.7133 -1.7133 -1.6765 -1.6765 -1.6504 -1.6504 -1.3771 -1.3771 -1.0416 -1.0416 -1.0277 -1.0277 -0.9617 -0.9617 -0.8747 -0.8747 -0.8381 -0.8381 -0.3754 -0.3754 3.1973 3.1973 4.8975 4.8975 5.7978 5.7978 6.0807 6.0807 6.8144 6.8144 7.4032 7.4032 8.9643 8.9643 9.0619 9.0619 9.8819 9.8819 10.3613 10.3613 k = 0.0963 0.1668-0.0000 ( 4333 PWs) bands (ev): -28.1841 -28.1841 -11.0009 -11.0009 -9.8845 -9.8845 -9.8376 -9.8376 -2.5609 -2.5609 -2.3510 -2.3510 -1.7155 -1.7155 -1.6799 -1.6799 -1.6565 -1.6565 -1.3817 -1.3817 -1.0451 -1.0451 -1.0287 -1.0287 -0.9608 -0.9608 -0.8732 -0.8732 -0.8394 -0.8394 -0.3901 -0.3901 3.1612 3.1612 5.0181 5.0181 5.9256 5.9256 6.1340 6.1340 6.8919 6.8919 7.4540 7.4540 8.8664 8.8664 9.0318 9.0318 9.8512 9.8512 10.3543 10.3543 k = 0.0889 0.1540-0.0000 ( 4329 PWs) bands (ev): -28.1842 -28.1842 -11.0002 -11.0002 -9.8843 -9.8843 -9.8359 -9.8359 -2.5750 -2.5750 -2.3523 -2.3523 -1.7176 -1.7176 -1.6847 -1.6847 -1.6604 -1.6604 -1.3860 -1.3860 -1.0484 -1.0484 -1.0289 -1.0289 -0.9600 -0.9600 -0.8723 -0.8723 -0.8401 -0.8401 -0.4039 -0.4039 3.1269 3.1269 5.1401 5.1401 6.0485 6.0485 6.1903 6.1903 6.9696 6.9696 7.5027 7.5027 8.7590 8.7590 9.0052 9.0052 9.8214 9.8214 10.3560 10.3560 k = 0.0815 0.1411-0.0000 ( 4333 PWs) bands (ev): -28.1843 -28.1843 -10.9996 -10.9996 -9.8841 -9.8841 -9.8342 -9.8342 -2.5886 -2.5886 -2.3537 -2.3537 -1.7197 -1.7197 -1.6905 -1.6905 -1.6625 -1.6625 -1.3898 -1.3898 -1.0516 -1.0516 -1.0286 -1.0286 -0.9592 -0.9592 -0.8721 -0.8721 -0.8402 -0.8402 -0.4169 -0.4169 3.0947 3.0947 5.2628 5.2628 6.1504 6.1504 6.2651 6.2651 7.0471 7.0471 7.5493 7.5493 8.6475 8.6475 8.9763 8.9763 9.7921 9.7921 10.3645 10.3645 k = 0.0741 0.1283-0.0000 ( 4329 PWs) bands (ev): -28.1844 -28.1844 -10.9990 -10.9990 -9.8839 -9.8839 -9.8326 -9.8326 -2.6015 -2.6015 -2.3549 -2.3549 -1.7217 -1.7217 -1.6964 -1.6964 -1.6636 -1.6636 -1.3933 -1.3933 -1.0544 -1.0544 -1.0279 -1.0279 -0.9585 -0.9585 -0.8726 -0.8726 -0.8398 -0.8398 -0.4290 -0.4290 3.0648 3.0648 5.3857 5.3857 6.2152 6.2152 6.3738 6.3738 7.1239 7.1239 7.5938 7.5938 8.5341 8.5341 8.9433 8.9433 9.7630 9.7630 10.3738 10.3739 k = 0.0667 0.1155-0.0000 ( 4319 PWs) bands (ev): -28.1845 -28.1845 -10.9984 -10.9984 -9.8837 -9.8837 -9.8311 -9.8311 -2.6137 -2.6137 -2.3561 -2.3561 -1.7235 -1.7235 -1.7020 -1.7020 -1.6641 -1.6641 -1.3965 -1.3965 -1.0569 -1.0569 -1.0269 -1.0269 -0.9578 -0.9578 -0.8736 -0.8736 -0.8389 -0.8389 -0.4400 -0.4400 3.0372 3.0372 5.5078 5.5078 6.2592 6.2592 6.4989 6.4989 7.1997 7.1997 7.6359 7.6359 8.4204 8.4204 8.9048 8.9048 9.7338 9.7338 10.3647 10.3650 k = 0.0593 0.1026-0.0000 ( 4319 PWs) bands (ev): -28.1846 -28.1846 -10.9979 -10.9979 -9.8836 -9.8836 -9.8297 -9.8297 -2.6249 -2.6249 -2.3573 -2.3573 -1.7253 -1.7253 -1.7072 -1.7072 -1.6644 -1.6644 -1.3993 -1.3993 -1.0591 -1.0591 -1.0257 -1.0257 -0.9573 -0.9573 -0.8750 -0.8750 -0.8377 -0.8377 -0.4500 -0.4500 3.0122 3.0122 5.6280 5.6280 6.2954 6.2954 6.6263 6.6263 7.2744 7.2744 7.6749 7.6749 8.3088 8.3088 8.8596 8.8596 9.7041 9.7041 10.3143 10.3144 k = 0.0519 0.0898-0.0000 ( 4321 PWs) bands (ev): -28.1846 -28.1846 -10.9975 -10.9975 -9.8835 -9.8835 -9.8285 -9.8285 -2.6351 -2.6351 -2.3583 -2.3583 -1.7270 -1.7270 -1.7118 -1.7118 -1.6645 -1.6645 -1.4017 -1.4017 -1.0610 -1.0610 -1.0244 -1.0244 -0.9568 -0.9568 -0.8766 -0.8766 -0.8365 -0.8365 -0.4590 -0.4590 2.9899 2.9899 5.7447 5.7447 6.3279 6.3279 6.7498 6.7498 7.3484 7.3484 7.7093 7.7093 8.2022 8.2022 8.8065 8.8065 9.6739 9.6739 10.2376 10.2379 k = 0.0444 0.0770-0.0000 ( 4315 PWs) bands (ev): -28.1847 -28.1847 -10.9971 -10.9971 -9.8834 -9.8834 -9.8273 -9.8273 -2.6441 -2.6441 -2.3592 -2.3592 -1.7284 -1.7284 -1.7157 -1.7157 -1.6644 -1.6644 -1.4039 -1.4039 -1.0626 -1.0626 -1.0231 -1.0231 -0.9564 -0.9564 -0.8783 -0.8783 -0.8352 -0.8352 -0.4668 -0.4668 2.9704 2.9704 5.8554 5.8554 6.3590 6.3590 6.8645 6.8645 7.4227 7.4227 7.7359 7.7359 8.1063 8.1063 8.7443 8.7443 9.6432 9.6432 10.1508 10.1508 k = 0.0370 0.0642-0.0000 ( 4303 PWs) bands (ev): -28.1848 -28.1848 -10.9967 -10.9967 -9.8834 -9.8834 -9.8264 -9.8264 -2.6520 -2.6520 -2.3600 -2.3600 -1.7297 -1.7297 -1.7190 -1.7190 -1.6644 -1.6644 -1.4056 -1.4056 -1.0639 -1.0639 -1.0217 -1.0217 -0.9560 -0.9560 -0.8800 -0.8800 -0.8340 -0.8340 -0.4734 -0.4734 2.9538 2.9538 5.9567 5.9567 6.3911 6.3911 6.9649 6.9649 7.4980 7.4980 7.7482 7.7482 8.0309 8.0309 8.6726 8.6726 9.6126 9.6126 10.0701 10.0702 k = 0.0296 0.0513-0.0000 ( 4309 PWs) bands (ev): -28.1848 -28.1848 -10.9964 -10.9964 -9.8833 -9.8833 -9.8256 -9.8256 -2.6585 -2.6585 -2.3607 -2.3607 -1.7307 -1.7307 -1.7217 -1.7217 -1.6643 -1.6643 -1.4071 -1.4071 -1.0650 -1.0650 -1.0205 -1.0205 -0.9557 -0.9557 -0.8816 -0.8816 -0.8330 -0.8330 -0.4788 -0.4788 2.9400 2.9400 6.0442 6.0442 6.4260 6.4260 7.0454 7.0454 7.5706 7.5706 7.7428 7.7428 7.9881 7.9881 8.5917 8.5917 9.5834 9.5834 10.0025 10.0026 k = 0.0222 0.0385-0.0000 ( 4309 PWs) bands (ev): -28.1848 -28.1848 -10.9962 -10.9962 -9.8833 -9.8833 -9.8250 -9.8250 -2.6636 -2.6636 -2.3612 -2.3612 -1.7316 -1.7316 -1.7238 -1.7238 -1.6642 -1.6642 -1.4082 -1.4082 -1.0658 -1.0658 -1.0194 -1.0194 -0.9555 -0.9555 -0.8829 -0.8829 -0.8321 -0.8321 -0.4831 -0.4831 2.9293 2.9293 6.1131 6.1131 6.4645 6.4645 7.1019 7.1019 7.6147 7.6147 7.7497 7.7497 7.9768 7.9768 8.5038 8.5038 9.5575 9.5575 9.9498 9.9499 k = 0.0148 0.0257-0.0000 ( 4307 PWs) bands (ev): -28.1848 -28.1848 -10.9961 -10.9961 -9.8833 -9.8833 -9.8245 -9.8245 -2.6673 -2.6673 -2.3616 -2.3616 -1.7322 -1.7322 -1.7253 -1.7253 -1.6641 -1.6641 -1.4091 -1.4091 -1.0664 -1.0664 -1.0186 -1.0186 -0.9554 -0.9554 -0.8839 -0.8839 -0.8315 -0.8315 -0.4861 -0.4861 2.9216 2.9216 6.1608 6.1608 6.5035 6.5035 7.1342 7.1342 7.6052 7.6052 7.8079 7.8079 7.9821 7.9821 8.4150 8.4150 9.5371 9.5371 9.9122 9.9122 k = 0.0074 0.0128-0.0000 ( 4299 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8832 -9.8832 -9.8242 -9.8242 -2.6695 -2.6695 -2.3618 -2.3618 -1.7325 -1.7325 -1.7261 -1.7261 -1.6641 -1.6641 -1.4095 -1.4095 -1.0668 -1.0668 -1.0181 -1.0181 -0.9553 -0.9553 -0.8845 -0.8845 -0.8311 -0.8311 -0.4880 -0.4880 2.9170 2.9170 6.1879 6.1879 6.5340 6.5340 7.1475 7.1475 7.5851 7.5851 7.8733 7.8733 7.9927 7.9927 8.3389 8.3389 9.5240 9.5240 9.8896 9.8896 k = 0.0000 0.0000 0.0000 ( 4307 PWs) bands (ev): -28.1849 -28.1849 -10.9959 -10.9959 -9.8832 -9.8832 -9.8241 -9.8241 -2.6702 -2.6702 -2.3619 -2.3619 -1.7327 -1.7327 -1.7264 -1.7264 -1.6641 -1.6641 -1.4097 -1.4097 -1.0669 -1.0669 -1.0179 -1.0179 -0.9553 -0.9553 -0.8847 -0.8847 -0.8310 -0.8310 -0.4886 -0.4886 2.9155 2.9155 6.1966 6.1966 6.5458 6.5458 7.1504 7.1504 7.5771 7.5771 7.9013 7.9013 7.9997 7.9997 8.3054 8.3054 9.5195 9.5195 9.8821 9.8821 k = 0.0000 0.0000 0.0000 ( 4307 PWs) bands (ev): -28.1849 -28.1849 -10.9959 -10.9959 -9.8832 -9.8832 -9.8241 -9.8241 -2.6702 -2.6702 -2.3619 -2.3619 -1.7327 -1.7327 -1.7264 -1.7264 -1.6641 -1.6641 -1.4097 -1.4097 -1.0669 -1.0669 -1.0179 -1.0179 -0.9553 -0.9553 -0.8847 -0.8847 -0.8310 -0.8310 -0.4886 -0.4886 2.9155 2.9155 6.1966 6.1966 6.5458 6.5458 7.1504 7.1504 7.5771 7.5771 7.9013 7.9013 7.9997 7.9997 8.3054 8.3054 9.5195 9.5195 9.8821 9.8821 k = 0.0000 0.0000 0.0143 ( 4307 PWs) bands (ev): -28.1849 -28.1849 -10.9959 -10.9959 -9.8832 -9.8832 -9.8241 -9.8241 -2.6695 -2.6695 -2.3620 -2.3620 -1.7327 -1.7327 -1.7264 -1.7264 -1.6641 -1.6641 -1.4099 -1.4099 -1.0669 -1.0669 -1.0179 -1.0179 -0.9555 -0.9555 -0.8847 -0.8847 -0.8310 -0.8310 -0.4903 -0.4903 2.9198 2.9198 6.1977 6.1977 6.5471 6.5471 7.1425 7.1425 7.5741 7.5741 7.8979 7.8979 7.9700 7.9700 8.3413 8.3413 9.5225 9.5225 9.8840 9.8840 k = 0.0000 0.0000 0.0287 ( 4301 PWs) bands (ev): -28.1849 -28.1849 -10.9959 -10.9959 -9.8833 -9.8833 -9.8241 -9.8241 -2.6675 -2.6675 -2.3622 -2.3622 -1.7326 -1.7326 -1.7265 -1.7265 -1.6640 -1.6640 -1.4106 -1.4106 -1.0668 -1.0668 -1.0178 -1.0178 -0.9562 -0.9562 -0.8846 -0.8846 -0.8311 -0.8311 -0.4952 -0.4952 2.9328 2.9328 6.2012 6.2012 6.5508 6.5508 7.1187 7.1187 7.5643 7.5643 7.8880 7.8880 7.9081 7.9081 8.4220 8.4220 9.5317 9.5317 9.8896 9.8896 k = 0.0000 0.0000 0.0430 ( 4313 PWs) bands (ev): -28.1849 -28.1849 -10.9959 -10.9959 -9.8833 -9.8833 -9.8241 -9.8241 -2.6641 -2.6641 -2.3626 -2.3626 -1.7326 -1.7326 -1.7265 -1.7265 -1.6639 -1.6639 -1.4117 -1.4117 -1.0667 -1.0667 -1.0178 -1.0178 -0.9574 -0.9574 -0.8844 -0.8844 -0.8312 -0.8312 -0.5033 -0.5033 2.9542 2.9542 6.2069 6.2069 6.5571 6.5571 7.0786 7.0786 7.5457 7.5457 7.8454 7.8454 7.8718 7.8718 8.5179 8.5179 9.5481 9.5481 9.8985 9.8985 k = 0.0000 0.0000 0.0573 ( 4313 PWs) bands (ev): -28.1849 -28.1849 -10.9959 -10.9959 -9.8833 -9.8833 -9.8241 -9.8241 -2.6594 -2.6594 -2.3631 -2.3631 -1.7325 -1.7325 -1.7266 -1.7266 -1.6638 -1.6638 -1.4132 -1.4132 -1.0666 -1.0666 -1.0177 -1.0177 -0.9590 -0.9590 -0.8841 -0.8841 -0.8313 -0.8313 -0.5142 -0.5142 2.9838 2.9838 6.2149 6.2149 6.5658 6.5658 7.0223 7.0223 7.5165 7.5165 7.7957 7.7957 7.8497 7.8497 8.6155 8.6155 9.5735 9.5735 9.9101 9.9101 k = 0.0000 0.0000 0.0717 ( 4313 PWs) bands (ev): -28.1849 -28.1849 -10.9959 -10.9959 -9.8833 -9.8833 -9.8241 -9.8241 -2.6534 -2.6534 -2.3638 -2.3638 -1.7325 -1.7325 -1.7267 -1.7267 -1.6637 -1.6637 -1.4152 -1.4152 -1.0665 -1.0665 -1.0176 -1.0176 -0.9612 -0.9612 -0.8838 -0.8838 -0.8314 -0.8314 -0.5276 -0.5276 3.0211 3.0211 6.2250 6.2250 6.5771 6.5771 6.9507 6.9507 7.4772 7.4772 7.7625 7.7625 7.8222 7.8222 8.7081 8.7081 9.6100 9.6100 9.9236 9.9236 k = 0.0000 0.0000 0.0860 ( 4326 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8833 -9.8833 -9.8241 -9.8241 -2.6463 -2.6463 -2.3647 -2.3647 -1.7324 -1.7324 -1.7268 -1.7268 -1.6635 -1.6635 -1.4176 -1.4176 -1.0663 -1.0663 -1.0174 -1.0174 -0.9638 -0.9638 -0.8835 -0.8835 -0.8316 -0.8316 -0.5431 -0.5431 3.0657 3.0657 6.2372 6.2372 6.5907 6.5907 6.8658 6.8658 7.4315 7.4315 7.7431 7.7431 7.7899 7.7899 8.7908 8.7908 9.6601 9.6601 9.9378 9.9378 k = 0.0000 0.0000 0.1003 ( 4326 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8834 -9.8834 -9.8241 -9.8241 -2.6380 -2.6380 -2.3657 -2.3657 -1.7323 -1.7323 -1.7269 -1.7269 -1.6633 -1.6633 -1.4204 -1.4204 -1.0662 -1.0662 -1.0173 -1.0173 -0.9668 -0.9668 -0.8830 -0.8830 -0.8318 -0.8318 -0.5601 -0.5601 3.1169 3.1169 6.2510 6.2510 6.6068 6.6068 6.7707 6.7707 7.3828 7.3828 7.7330 7.7330 7.7535 7.7535 8.8602 8.8602 9.7260 9.7260 9.9517 9.9517 k = 0.0000 0.0000 0.1147 ( 4326 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8834 -9.8834 -9.8241 -9.8241 -2.6288 -2.6288 -2.3670 -2.3670 -1.7322 -1.7322 -1.7270 -1.7270 -1.6631 -1.6631 -1.4237 -1.4237 -1.0660 -1.0660 -1.0171 -1.0171 -0.9704 -0.9704 -0.8826 -0.8826 -0.8321 -0.8321 -0.5781 -0.5781 3.1741 3.1741 6.2661 6.2661 6.6252 6.6252 6.6690 6.6690 7.3332 7.3332 7.7135 7.7135 7.7287 7.7287 8.9149 8.9149 9.8080 9.8080 9.9644 9.9644 k = 0.0000 0.0000 0.1290 ( 4326 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8834 -9.8834 -9.8241 -9.8241 -2.6188 -2.6188 -2.3684 -2.3684 -1.7321 -1.7321 -1.7272 -1.7272 -1.6628 -1.6628 -1.4273 -1.4273 -1.0657 -1.0657 -1.0169 -1.0169 -0.9744 -0.9744 -0.8821 -0.8821 -0.8323 -0.8323 -0.5966 -0.5966 3.2366 3.2366 6.2806 6.2806 6.5648 6.5648 6.6460 6.6460 7.2834 7.2834 7.6707 7.6707 7.7280 7.7280 8.9552 8.9552 9.9049 9.9049 9.9751 9.9751 k = 0.0000 0.0000 0.1433 ( 4314 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8834 -9.8834 -9.8241 -9.8241 -2.6081 -2.6081 -2.3702 -2.3702 -1.7319 -1.7319 -1.7273 -1.7273 -1.6625 -1.6625 -1.4313 -1.4313 -1.0655 -1.0655 -1.0167 -1.0167 -0.9787 -0.9787 -0.8815 -0.8815 -0.8325 -0.8325 -0.6152 -0.6152 3.3035 3.3035 6.2886 6.2886 6.4667 6.4667 6.6690 6.6690 7.2336 7.2336 7.6255 7.6255 7.7297 7.7297 8.9831 8.9831 9.9804 9.9804 10.0171 10.0171 k = 0.0000 0.0000 0.1577 ( 4326 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8835 -9.8835 -9.8241 -9.8241 -2.5968 -2.5968 -2.3721 -2.3721 -1.7318 -1.7318 -1.7274 -1.7274 -1.6622 -1.6622 -1.4356 -1.4356 -1.0653 -1.0653 -1.0165 -1.0165 -0.9835 -0.9835 -0.8810 -0.8810 -0.8327 -0.8327 -0.6333 -0.6333 3.3740 3.3740 6.2640 6.2640 6.4025 6.4025 6.6943 6.6943 7.1838 7.1838 7.5786 7.5786 7.7328 7.7328 9.0011 9.0011 9.9863 9.9863 10.0522 10.0522 k = 0.0000 0.0000 0.1720 ( 4332 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8835 -9.8835 -9.8241 -9.8241 -2.5852 -2.5852 -2.3744 -2.3744 -1.7316 -1.7316 -1.7276 -1.7276 -1.6619 -1.6619 -1.4401 -1.4401 -1.0650 -1.0650 -1.0163 -1.0163 -0.9885 -0.9885 -0.8805 -0.8805 -0.8330 -0.8330 -0.6506 -0.6506 3.4469 3.4469 6.1842 6.1842 6.3964 6.3964 6.7216 6.7216 7.1340 7.1340 7.5305 7.5305 7.7369 7.7369 9.0116 9.0116 9.9885 9.9885 10.0497 10.0497 k = 0.0000 0.0000 0.1863 ( 4326 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8835 -9.8835 -9.8241 -9.8241 -2.5735 -2.5735 -2.3768 -2.3768 -1.7315 -1.7315 -1.7278 -1.7278 -1.6616 -1.6616 -1.4448 -1.4448 -1.0648 -1.0648 -1.0161 -1.0161 -0.9937 -0.9937 -0.8799 -0.8799 -0.8332 -0.8332 -0.6666 -0.6666 3.5211 3.5211 6.0844 6.0844 6.4150 6.4150 6.7510 6.7510 7.0844 7.0844 7.4816 7.4816 7.7414 7.7414 9.0167 9.0167 9.9883 9.9883 10.0454 10.0454 k = 0.0000 0.0000 0.2007 ( 4320 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8836 -9.8836 -9.8241 -9.8241 -2.5620 -2.5620 -2.3795 -2.3795 -1.7313 -1.7313 -1.7279 -1.7279 -1.6612 -1.6612 -1.4495 -1.4495 -1.0646 -1.0646 -1.0159 -1.0159 -0.9989 -0.9989 -0.8794 -0.8794 -0.8334 -0.8334 -0.6810 -0.6810 3.5951 3.5951 5.9829 5.9829 6.4414 6.4414 6.7821 6.7821 7.0350 7.0350 7.4325 7.4325 7.7462 7.7462 9.0180 9.0180 9.9865 9.9865 10.0401 10.0401 k = 0.0000 0.0000 0.2150 ( 4320 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8836 -9.8836 -9.8241 -9.8241 -2.5508 -2.5508 -2.3824 -2.3824 -1.7312 -1.7312 -1.7281 -1.7281 -1.6609 -1.6609 -1.4540 -1.4540 -1.0643 -1.0643 -1.0157 -1.0157 -1.0039 -1.0039 -0.8788 -0.8788 -0.8336 -0.8336 -0.6938 -0.6938 3.6674 3.6674 5.8854 5.8854 6.4717 6.4717 6.8150 6.8150 6.9860 6.9860 7.3836 7.3836 7.7509 7.7509 9.0169 9.0169 9.9836 9.9836 10.0343 10.0343 k = 0.0000 0.0000 0.2293 ( 4296 PWs) bands (ev): -28.1849 -28.1849 -10.9960 -10.9960 -9.8836 -9.8836 -9.8241 -9.8241 -2.5403 -2.5403 -2.3854 -2.3854 -1.7310 -1.7310 -1.7282 -1.7282 -1.6605 -1.6605 -1.4583 -1.4583 -1.0641 -1.0641 -1.0156 -1.0156 -1.0085 -1.0085 -0.8783 -0.8783 -0.8337 -0.8337 -0.7046 -0.7046 3.7358 3.7358 5.7951 5.7951 6.5047 6.5047 6.8491 6.8491 6.9376 6.9376 7.3355 7.3355 7.7553 7.7553 9.0145 9.0145 9.9803 9.9803 10.0286 10.0286 k = 0.0000 0.0000 0.2437 ( 4296 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8836 -9.8836 -9.8241 -9.8241 -2.5309 -2.5309 -2.3883 -2.3883 -1.7308 -1.7308 -1.7284 -1.7284 -1.6602 -1.6602 -1.4621 -1.4621 -1.0639 -1.0639 -1.0154 -1.0154 -1.0127 -1.0127 -0.8779 -0.8779 -0.8339 -0.8339 -0.7136 -0.7136 3.7979 3.7979 5.7148 5.7148 6.5398 6.5398 6.8840 6.8840 6.8899 6.8899 7.2889 7.2889 7.7592 7.7592 9.0114 9.0114 9.9769 9.9769 10.0233 10.0233 k = 0.0000 0.0000 0.2580 ( 4266 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8837 -9.8837 -9.8241 -9.8241 -2.5229 -2.5229 -2.3910 -2.3910 -1.7306 -1.7306 -1.7285 -1.7285 -1.6599 -1.6599 -1.4653 -1.4653 -1.0637 -1.0637 -1.0161 -1.0161 -1.0153 -1.0153 -0.8775 -0.8775 -0.8340 -0.8340 -0.7205 -0.7205 3.8510 3.8510 5.6475 5.6475 6.5765 6.5765 6.8435 6.8435 6.9188 6.9188 7.2449 7.2449 7.7624 7.7624 9.0084 9.0084 9.9738 9.9738 10.0189 10.0189 k = 0.0000 0.0000 0.2723 ( 4260 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8837 -9.8837 -9.8241 -9.8241 -2.5168 -2.5168 -2.3933 -2.3933 -1.7305 -1.7305 -1.7286 -1.7286 -1.6597 -1.6597 -1.4677 -1.4677 -1.0635 -1.0635 -1.0187 -1.0187 -1.0152 -1.0152 -0.8773 -0.8773 -0.8340 -0.8340 -0.7255 -0.7255 3.8919 3.8919 5.5963 5.5963 6.6143 6.6143 6.7988 6.7988 6.9513 6.9513 7.2057 7.2057 7.7648 7.7648 9.0059 9.0059 9.9715 9.9715 10.0156 10.0156 k = 0.0000 0.0000 0.2867 ( 4260 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8837 -9.8837 -9.8241 -9.8241 -2.5130 -2.5130 -2.3948 -2.3948 -1.7305 -1.7305 -1.7287 -1.7287 -1.6596 -1.6596 -1.4691 -1.4691 -1.0634 -1.0634 -1.0203 -1.0203 -1.0152 -1.0152 -0.8771 -0.8771 -0.8341 -0.8341 -0.7285 -0.7285 3.9179 3.9179 5.5642 5.5642 6.6508 6.6508 6.7581 6.7581 6.9772 6.9772 7.1759 7.1759 7.7663 7.7663 9.0043 9.0043 9.9700 9.9700 10.0135 10.0135 k = 0.0000 0.0000 0.3010 ( 4254 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8837 -9.8837 -9.8241 -9.8241 -2.5116 -2.5116 -2.3953 -2.3953 -1.7304 -1.7304 -1.7287 -1.7287 -1.6596 -1.6596 -1.4696 -1.4696 -1.0634 -1.0634 -1.0208 -1.0208 -1.0151 -1.0151 -0.8771 -0.8771 -0.8341 -0.8341 -0.7295 -0.7295 3.9269 3.9269 5.5532 5.5532 6.6722 6.6722 6.7353 6.7353 6.9877 6.9877 7.1639 7.1639 7.7668 7.7668 9.0038 9.0038 9.9694 9.9694 10.0128 10.0128 k = 0.0000 0.0000 0.3010 ( 4254 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8837 -9.8837 -9.8241 -9.8241 -2.5116 -2.5116 -2.3953 -2.3953 -1.7304 -1.7304 -1.7287 -1.7287 -1.6596 -1.6596 -1.4696 -1.4696 -1.0634 -1.0634 -1.0208 -1.0208 -1.0151 -1.0151 -0.8771 -0.8771 -0.8341 -0.8341 -0.7295 -0.7295 3.9269 3.9269 5.5532 5.5532 6.6722 6.6722 6.7353 6.7353 6.9877 6.9877 7.1639 7.1639 7.7668 7.7668 9.0038 9.0038 9.9694 9.9694 10.0128 10.0128 k = 0.0128 0.0074 0.3010 ( 4266 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8837 -9.8837 -9.8242 -9.8242 -2.5113 -2.5113 -2.3950 -2.3950 -1.7304 -1.7304 -1.7283 -1.7283 -1.6597 -1.6597 -1.4693 -1.4693 -1.0633 -1.0633 -1.0229 -1.0229 -1.0129 -1.0129 -0.8769 -0.8769 -0.8342 -0.8342 -0.7290 -0.7290 3.9265 3.9265 5.5537 5.5537 6.6683 6.6683 6.7197 6.7197 6.9857 6.9857 7.1424 7.1424 7.7982 7.7982 9.0087 9.0087 9.9746 9.9746 10.0170 10.0170 k = 0.0256 0.0148 0.3010 ( 4276 PWs) bands (ev): -28.1848 -28.1848 -10.9962 -10.9962 -9.8837 -9.8837 -9.8245 -9.8245 -2.5102 -2.5102 -2.3942 -2.3942 -1.7301 -1.7301 -1.7269 -1.7269 -1.6599 -1.6599 -1.4683 -1.4683 -1.0631 -1.0631 -1.0263 -1.0263 -1.0090 -1.0090 -0.8764 -0.8764 -0.8346 -0.8346 -0.7275 -0.7275 3.9254 3.9254 5.5552 5.5552 6.6546 6.6546 6.6747 6.6747 6.9781 6.9781 7.0926 7.0926 7.8788 7.8788 9.0236 9.0236 9.9898 9.9898 10.0296 10.0296 k = 0.0385 0.0222 0.3010 ( 4286 PWs) bands (ev): -28.1848 -28.1848 -10.9963 -10.9963 -9.8837 -9.8837 -9.8250 -9.8250 -2.5085 -2.5085 -2.3929 -2.3929 -1.7296 -1.7296 -1.7247 -1.7247 -1.6602 -1.6602 -1.4667 -1.4667 -1.0626 -1.0626 -1.0296 -1.0296 -1.0048 -1.0048 -0.8755 -0.8755 -0.8351 -0.8351 -0.7250 -0.7250 3.9235 3.9235 5.5575 5.5575 6.5929 6.5929 6.6409 6.6409 6.9592 6.9592 7.0423 7.0423 7.9854 7.9854 9.0481 9.0481 10.0145 10.0145 10.0506 10.0506 k = 0.0513 0.0296 0.3010 ( 4290 PWs) bands (ev): -28.1848 -28.1848 -10.9966 -10.9966 -9.8838 -9.8838 -9.8256 -9.8256 -2.5060 -2.5060 -2.3911 -2.3911 -1.7288 -1.7288 -1.7216 -1.7216 -1.6606 -1.6606 -1.4644 -1.4644 -1.0619 -1.0619 -1.0326 -1.0326 -1.0006 -1.0006 -0.8743 -0.8743 -0.8359 -0.8359 -0.7214 -0.7214 3.9207 3.9207 5.5598 5.5598 6.4929 6.4929 6.6143 6.6143 6.9197 6.9197 7.0109 7.0109 8.1023 8.1023 9.0821 9.0821 10.0474 10.0474 10.0800 10.0800 k = 0.0641 0.0370 0.3010 ( 4294 PWs) bands (ev): -28.1848 -28.1848 -10.9968 -10.9968 -9.8838 -9.8838 -9.8264 -9.8264 -2.5029 -2.5029 -2.3889 -2.3889 -1.7279 -1.7279 -1.7176 -1.7176 -1.6611 -1.6611 -1.4614 -1.4614 -1.0610 -1.0610 -1.0352 -1.0352 -0.9965 -0.9965 -0.8728 -0.8728 -0.8369 -0.8369 -0.7167 -0.7167 3.9170 3.9170 5.5614 5.5614 6.3768 6.3768 6.5813 6.5813 6.8661 6.8661 6.9943 6.9943 8.2202 8.2202 9.1258 9.1258 10.0859 10.0859 10.1186 10.1186 k = 0.0769 0.0444 0.3010 ( 4302 PWs) bands (ev): -28.1847 -28.1847 -10.9972 -10.9972 -9.8839 -9.8839 -9.8273 -9.8273 -2.4992 -2.4992 -2.3862 -2.3862 -1.7268 -1.7268 -1.7128 -1.7128 -1.6616 -1.6616 -1.4579 -1.4579 -1.0599 -1.0599 -1.0375 -1.0375 -0.9926 -0.9926 -0.8710 -0.8710 -0.8380 -0.8380 -0.7108 -0.7108 3.9123 3.9123 5.5603 5.5603 6.2535 6.2535 6.5417 6.5417 6.8076 6.8076 6.9821 6.9821 8.3327 8.3327 9.1791 9.1791 10.1258 10.1258 10.1673 10.1673 k = 0.0897 0.0518 0.3010 ( 4304 PWs) bands (ev): -28.1846 -28.1846 -10.9976 -10.9976 -9.8839 -9.8839 -9.8284 -9.8284 -2.4949 -2.4949 -2.3832 -2.3832 -1.7255 -1.7255 -1.7071 -1.7071 -1.6621 -1.6621 -1.4538 -1.4538 -1.0585 -1.0585 -1.0393 -1.0393 -0.9890 -0.9890 -0.8690 -0.8690 -0.8392 -0.8392 -0.7035 -0.7035 3.9065 3.9065 5.5533 5.5533 6.1309 6.1309 6.4961 6.4961 6.7472 6.7472 6.9708 6.9708 8.4354 8.4354 9.2421 9.2421 10.1619 10.1619 10.2254 10.2254 k = 0.1026 0.0592 0.3010 ( 4300 PWs) bands (ev): -28.1846 -28.1846 -10.9980 -10.9980 -9.8840 -9.8840 -9.8297 -9.8297 -2.4901 -2.4901 -2.3799 -2.3799 -1.7240 -1.7240 -1.7007 -1.7007 -1.6624 -1.6624 -1.4492 -1.4492 -1.0567 -1.0567 -1.0406 -1.0406 -0.9858 -0.9858 -0.8670 -0.8670 -0.8404 -0.8404 -0.6949 -0.6949 3.8993 3.8993 5.5339 5.5339 6.0183 6.0183 6.4451 6.4451 6.6857 6.6857 6.9595 6.9595 8.5252 8.5252 9.3137 9.3137 10.1829 10.1829 10.2909 10.2909 k = 0.1154 0.0666 0.3010 ( 4312 PWs) bands (ev): -28.1845 -28.1845 -10.9985 -10.9985 -9.8841 -9.8841 -9.8311 -9.8311 -2.4848 -2.4848 -2.3763 -2.3763 -1.7224 -1.7224 -1.6938 -1.6938 -1.6625 -1.6625 -1.4440 -1.4440 -1.0546 -1.0546 -1.0415 -1.0415 -0.9829 -0.9829 -0.8651 -0.8651 -0.8415 -0.8415 -0.6847 -0.6847 3.8907 3.8907 5.4921 5.4921 5.9275 5.9275 6.3896 6.3896 6.6238 6.6238 6.9478 6.9478 8.6007 8.6007 9.3908 9.3908 10.1668 10.1668 10.3613 10.3613 k = 0.1282 0.0740 0.3010 ( 4312 PWs) bands (ev): -28.1844 -28.1844 -10.9991 -10.9991 -9.8843 -9.8843 -9.8325 -9.8325 -2.4791 -2.4791 -2.3725 -2.3725 -1.7207 -1.7207 -1.6866 -1.6866 -1.6620 -1.6620 -1.4384 -1.4384 -1.0521 -1.0521 -1.0419 -1.0419 -0.9804 -0.9804 -0.8635 -0.8635 -0.8422 -0.8422 -0.6731 -0.6731 3.8805 3.8805 5.4193 5.4193 5.8682 5.8682 6.3308 6.3308 6.5618 6.5618 6.9355 6.9355 8.6622 8.6622 9.4677 9.4677 10.1091 10.1091 10.4296 10.4297 k = 0.1410 0.0814 0.3010 ( 4316 PWs) bands (ev): -28.1843 -28.1843 -10.9997 -10.9997 -9.8844 -9.8844 -9.8341 -9.8341 -2.4729 -2.4729 -2.3686 -2.3686 -1.7188 -1.7188 -1.6801 -1.6801 -1.6600 -1.6600 -1.4323 -1.4323 -1.0492 -1.0492 -1.0418 -1.0418 -0.9784 -0.9784 -0.8627 -0.8627 -0.8422 -0.8422 -0.6599 -0.6599 3.8684 3.8684 5.3176 5.3176 5.8388 5.8388 6.2700 6.2700 6.5001 6.5001 6.9227 6.9227 8.7110 8.7110 9.5346 9.5346 10.0377 10.0377 10.4823 10.4823 k = 0.1538 0.0888 0.3010 ( 4312 PWs) bands (ev): -28.1842 -28.1842 -11.0003 -11.0003 -9.8847 -9.8847 -9.8358 -9.8358 -2.4665 -2.4665 -2.3647 -2.3647 -1.7167 -1.7167 -1.6757 -1.6757 -1.6551 -1.6551 -1.4258 -1.4258 -1.0460 -1.0460 -1.0410 -1.0410 -0.9767 -0.9767 -0.8629 -0.8629 -0.8411 -0.8411 -0.6451 -0.6451 3.8542 3.8542 5.1972 5.1972 5.8290 5.8290 6.2087 6.2087 6.4389 6.4389 6.9094 6.9094 8.7492 8.7492 9.5769 9.5769 9.9777 9.9777 10.5381 10.5382 k = 0.1667 0.0962 0.3010 ( 4316 PWs) bands (ev): -28.1841 -28.1841 -11.0010 -11.0010 -9.8849 -9.8849 -9.8375 -9.8375 -2.4598 -2.4598 -2.3607 -2.3607 -1.7146 -1.7146 -1.6735 -1.6735 -1.6472 -1.6472 -1.4189 -1.4189 -1.0436 -1.0436 -1.0385 -1.0385 -0.9753 -0.9753 -0.8640 -0.8640 -0.8391 -0.8391 -0.6287 -0.6287 3.8377 3.8377 5.0670 5.0670 5.8291 5.8291 6.1492 6.1492 6.3786 6.3786 6.8957 6.8957 8.7787 8.7787 9.5796 9.5796 9.9447 9.9447 10.6033 10.6033 k = 0.1795 0.1036 0.3010 ( 4312 PWs) bands (ev): -28.1840 -28.1840 -11.0017 -11.0017 -9.8852 -9.8852 -9.8392 -9.8392 -2.4530 -2.4530 -2.3568 -2.3568 -1.7124 -1.7124 -1.6728 -1.6728 -1.6372 -1.6372 -1.4117 -1.4117 -1.0421 -1.0421 -1.0340 -1.0340 -0.9743 -0.9743 -0.8659 -0.8659 -0.8362 -0.8362 -0.6108 -0.6108 3.8187 3.8187 4.9325 4.9325 5.8319 5.8319 6.0944 6.0944 6.3193 6.3193 6.8816 6.8816 8.8013 8.8013 9.5426 9.5426 9.9372 9.9372 10.6774 10.6774 k = 0.1923 0.1110 0.3010 ( 4316 PWs) bands (ev): -28.1839 -28.1839 -11.0025 -11.0025 -9.8856 -9.8856 -9.8410 -9.8410 -2.4460 -2.4460 -2.3529 -2.3529 -1.7101 -1.7101 -1.6726 -1.6726 -1.6262 -1.6262 -1.4042 -1.4042 -1.0410 -1.0410 -1.0282 -1.0282 -0.9735 -0.9735 -0.8682 -0.8682 -0.8326 -0.8326 -0.5915 -0.5915 3.7969 3.7969 4.7966 4.7966 5.8303 5.8303 6.0492 6.0492 6.2616 6.2616 6.8672 6.8672 8.8183 8.8183 9.4821 9.4821 9.9384 9.9384 10.6988 10.6988 k = 0.2051 0.1184 0.3010 ( 4324 PWs) bands (ev): -28.1838 -28.1838 -11.0032 -11.0032 -9.8860 -9.8860 -9.8427 -9.8427 -2.4389 -2.4389 -2.3492 -2.3492 -1.7078 -1.7078 -1.6726 -1.6726 -1.6145 -1.6145 -1.3965 -1.3965 -1.0398 -1.0398 -1.0214 -1.0214 -0.9730 -0.9730 -0.8708 -0.8708 -0.8284 -0.8284 -0.5709 -0.5709 3.7722 3.7722 4.6610 4.6610 5.8168 5.8168 6.0197 6.0197 6.2062 6.2062 6.8527 6.8527 8.8308 8.8308 9.4128 9.4128 9.9355 9.9355 10.6085 10.6085 k = 0.2179 0.1258 0.3010 ( 4320 PWs) bands (ev): -28.1837 -28.1837 -11.0040 -11.0040 -9.8864 -9.8864 -9.8445 -9.8445 -2.4319 -2.4319 -2.3457 -2.3457 -1.7054 -1.7054 -1.6726 -1.6726 -1.6024 -1.6024 -1.3885 -1.3885 -1.0386 -1.0386 -1.0138 -1.0138 -0.9726 -0.9726 -0.8735 -0.8735 -0.8236 -0.8236 -0.5490 -0.5490 3.7444 3.7444 4.5269 4.5269 5.7879 5.7879 6.0077 6.0077 6.1547 6.1547 6.8381 6.8381 8.8396 8.8396 9.3422 9.3422 9.9238 9.9238 10.5120 10.5120 k = 0.2308 0.1332 0.3010 ( 4312 PWs) bands (ev): -28.1836 -28.1836 -11.0048 -11.0048 -9.8870 -9.8870 -9.8462 -9.8462 -2.4248 -2.4248 -2.3424 -2.3424 -1.7030 -1.7030 -1.6727 -1.6727 -1.5901 -1.5901 -1.3804 -1.3804 -1.0373 -1.0373 -1.0055 -1.0055 -0.9722 -0.9722 -0.8761 -0.8761 -0.8180 -0.8180 -0.5261 -0.5261 3.7133 3.7133 4.3950 4.3950 5.7477 5.7477 6.0036 6.0036 6.1124 6.1124 6.8236 6.8236 8.8454 8.8454 9.2740 9.2740 9.9027 9.9027 10.4157 10.4157 k = 0.2436 0.1406 0.3010 ( 4320 PWs) bands (ev): -28.1835 -28.1835 -11.0057 -11.0057 -9.8876 -9.8876 -9.8478 -9.8478 -2.4179 -2.4179 -2.3393 -2.3393 -1.7007 -1.7007 -1.6727 -1.6727 -1.5778 -1.5778 -1.3722 -1.3722 -1.0360 -1.0360 -0.9970 -0.9970 -0.9717 -0.9717 -0.8786 -0.8786 -0.8115 -0.8115 -0.5023 -0.5023 3.6788 3.6788 4.2661 4.2661 5.7026 5.7026 5.9888 5.9888 6.0918 6.0918 6.8094 6.8094 8.8486 8.8486 9.2102 9.2102 9.8726 9.8726 10.3220 10.3220 k = 0.2564 0.1480 0.3010 ( 4326 PWs) bands (ev): -28.1833 -28.1833 -11.0065 -11.0065 -9.8883 -9.8883 -9.8493 -9.8493 -2.4111 -2.4111 -2.3365 -2.3365 -1.6984 -1.6984 -1.6727 -1.6727 -1.5657 -1.5657 -1.3640 -1.3640 -1.0347 -1.0347 -0.9890 -0.9890 -0.9706 -0.9706 -0.8806 -0.8806 -0.8037 -0.8037 -0.4777 -0.4777 3.6410 3.6410 4.1406 4.1406 5.6567 5.6567 5.9544 5.9544 6.0975 6.0975 6.7956 6.7956 8.8495 8.8495 9.1519 9.1519 9.8338 9.8338 10.2327 10.2327 k = 0.2692 0.1554 0.3010 ( 4322 PWs) bands (ev): -28.1832 -28.1832 -11.0073 -11.0073 -9.8891 -9.8891 -9.8508 -9.8508 -2.4045 -2.4045 -2.3340 -2.3340 -1.6961 -1.6961 -1.6725 -1.6725 -1.5539 -1.5539 -1.3558 -1.3558 -1.0334 -1.0334 -0.9829 -0.9829 -0.9678 -0.9678 -0.8822 -0.8822 -0.7942 -0.7942 -0.4526 -0.4526 3.5999 3.5999 4.0191 4.0191 5.6121 5.6121 5.9115 5.9115 6.1165 6.1165 6.7824 6.7824 8.8483 8.8483 9.0998 9.0998 9.7866 9.7866 10.1497 10.1497 k = 0.2821 0.1628 0.3010 ( 4318 PWs) bands (ev): -28.1831 -28.1831 -11.0082 -11.0082 -9.8900 -9.8900 -9.8521 -9.8521 -2.3981 -2.3981 -2.3317 -2.3317 -1.6939 -1.6939 -1.6723 -1.6723 -1.5425 -1.5425 -1.3478 -1.3478 -1.0321 -1.0321 -0.9800 -0.9800 -0.9627 -0.9627 -0.8829 -0.8829 -0.7828 -0.7828 -0.4273 -0.4273 3.5555 3.5555 3.9020 3.9020 5.5698 5.5698 5.8670 5.8670 6.1407 6.1407 6.7701 6.7701 8.8450 8.8450 9.0546 9.0546 9.7310 9.7310 10.0745 10.0745 k = 0.2949 0.1702 0.3010 ( 4328 PWs) bands (ev): -28.1830 -28.1830 -11.0090 -11.0090 -9.8909 -9.8909 -9.8533 -9.8533 -2.3920 -2.3920 -2.3297 -2.3297 -1.6918 -1.6918 -1.6720 -1.6720 -1.5316 -1.5316 -1.3399 -1.3399 -1.0308 -1.0308 -0.9791 -0.9791 -0.9568 -0.9568 -0.8829 -0.8829 -0.7689 -0.7689 -0.4020 -0.4020 3.5080 3.5080 3.7899 3.7899 5.5302 5.5302 5.8232 5.8232 6.1669 6.1669 6.7588 6.7588 8.8396 8.8396 9.0166 9.0166 9.6678 9.6678 10.0077 10.0077 k = 0.3077 0.1776 0.3010 ( 4334 PWs) bands (ev): -28.1829 -28.1829 -11.0098 -11.0098 -9.8919 -9.8919 -9.8544 -9.8544 -2.3861 -2.3861 -2.3279 -2.3279 -1.6898 -1.6898 -1.6717 -1.6717 -1.5212 -1.5212 -1.3324 -1.3324 -1.0296 -1.0296 -0.9793 -0.9793 -0.9517 -0.9517 -0.8818 -0.8818 -0.7522 -0.7522 -0.3769 -0.3769 3.4575 3.4575 3.6834 3.6834 5.4938 5.4938 5.7812 5.7812 6.1936 6.1936 6.7489 6.7489 8.8317 8.8317 8.9863 8.9863 9.5985 9.5985 9.9489 9.9489 k = 0.3205 0.1850 0.3010 ( 4338 PWs) bands (ev): -28.1828 -28.1828 -11.0106 -11.0106 -9.8930 -9.8930 -9.8554 -9.8554 -2.3805 -2.3805 -2.3265 -2.3265 -1.6879 -1.6879 -1.6713 -1.6713 -1.5116 -1.5116 -1.3251 -1.3251 -1.0284 -1.0284 -0.9798 -0.9798 -0.9481 -0.9481 -0.8799 -0.8799 -0.7326 -0.7326 -0.3525 -0.3525 3.4042 3.4042 3.5833 3.5833 5.4603 5.4603 5.7412 5.7412 6.2201 6.2201 6.7405 6.7405 8.8214 8.8214 8.9638 8.9638 9.5256 9.5256 9.8968 9.8968 k = 0.3333 0.1925 0.3010 ( 4342 PWs) bands (ev): -28.1827 -28.1827 -11.0113 -11.0113 -9.8940 -9.8940 -9.8563 -9.8563 -2.3752 -2.3752 -2.3252 -2.3252 -1.6861 -1.6861 -1.6708 -1.6708 -1.5026 -1.5026 -1.3182 -1.3182 -1.0272 -1.0272 -0.9807 -0.9807 -0.9460 -0.9460 -0.8774 -0.8774 -0.7100 -0.7100 -0.3290 -0.3290 3.3480 3.3480 3.4903 3.4903 5.4299 5.4299 5.7037 5.7037 6.2455 6.2455 6.7340 6.7340 8.8090 8.8090 8.9485 8.9485 9.4512 9.4512 9.8499 9.8499 k = 0.3462 0.1999 0.3010 ( 4334 PWs) bands (ev): -28.1826 -28.1826 -11.0120 -11.0120 -9.8951 -9.8951 -9.8570 -9.8570 -2.3702 -2.3702 -2.3243 -2.3243 -1.6844 -1.6844 -1.6703 -1.6703 -1.4942 -1.4942 -1.3116 -1.3116 -1.0260 -1.0260 -0.9818 -0.9818 -0.9449 -0.9449 -0.8746 -0.8746 -0.6848 -0.6848 -0.3067 -0.3067 3.2891 3.2891 3.4054 3.4054 5.4024 5.4024 5.6688 5.6688 6.2694 6.2694 6.7296 6.7296 8.7951 8.7951 8.9397 8.9397 9.3777 9.3777 9.8069 9.8069 k = 0.3590 0.2073 0.3010 ( 4336 PWs) bands (ev): -28.1825 -28.1825 -11.0127 -11.0127 -9.8962 -9.8962 -9.8577 -9.8577 -2.3655 -2.3655 -2.3236 -2.3236 -1.6828 -1.6828 -1.6698 -1.6698 -1.4866 -1.4866 -1.3055 -1.3055 -1.0249 -1.0249 -0.9832 -0.9832 -0.9448 -0.9448 -0.8719 -0.8719 -0.6572 -0.6572 -0.2862 -0.2862 3.2278 3.2278 3.3291 3.3291 5.3776 5.3776 5.6367 5.6367 6.2912 6.2912 6.7274 6.7274 8.7803 8.7803 8.9361 8.9361 9.3067 9.3067 9.7669 9.7669 k = 0.3718 0.2147 0.3010 ( 4334 PWs) bands (ev): -28.1824 -28.1824 -11.0134 -11.0134 -9.8973 -9.8973 -9.8582 -9.8582 -2.3611 -2.3611 -2.3231 -2.3231 -1.6814 -1.6814 -1.6693 -1.6693 -1.4798 -1.4798 -1.2999 -1.2999 -1.0237 -1.0237 -0.9847 -0.9847 -0.9451 -0.9451 -0.8692 -0.8692 -0.6278 -0.6278 -0.2676 -0.2676 3.1657 3.1657 3.2610 3.2610 5.3554 5.3554 5.6073 5.6073 6.3107 6.3107 6.7276 6.7276 8.7652 8.7652 8.9367 8.9367 9.2399 9.2399 9.7294 9.7294 k = 0.3846 0.2221 0.3010 ( 4338 PWs) bands (ev): -28.1823 -28.1823 -11.0140 -11.0140 -9.8983 -9.8983 -9.8587 -9.8587 -2.3570 -2.3570 -2.3228 -2.3228 -1.6801 -1.6801 -1.6687 -1.6687 -1.4736 -1.4736 -1.2947 -1.2947 -1.0225 -1.0225 -0.9865 -0.9865 -0.9457 -0.9457 -0.8669 -0.8669 -0.5972 -0.5972 -0.2513 -0.2513 3.1052 3.1052 3.1998 3.1998 5.3356 5.3356 5.5809 5.5809 6.3275 6.3275 6.7301 6.7301 8.7497 8.7497 8.9407 8.9407 9.1786 9.1786 9.6940 9.6940 k = 0.3974 0.2295 0.3010 ( 4348 PWs) bands (ev): -28.1822 -28.1822 -11.0145 -11.0145 -9.8993 -9.8993 -9.8591 -9.8591 -2.3532 -2.3532 -2.3228 -2.3228 -1.6789 -1.6789 -1.6683 -1.6683 -1.4681 -1.4681 -1.2901 -1.2901 -1.0212 -1.0212 -0.9884 -0.9884 -0.9464 -0.9464 -0.8648 -0.8648 -0.5659 -0.5659 -0.2377 -0.2377 3.0485 3.0485 3.1440 3.1440 5.3181 5.3181 5.5573 5.5573 6.3416 6.3416 6.7348 6.7348 8.7337 8.7337 8.9474 8.9474 9.1241 9.1241 9.6604 9.6604 k = 0.4103 0.2369 0.3010 ( 4336 PWs) bands (ev): -28.1821 -28.1821 -11.0150 -11.0150 -9.9002 -9.9002 -9.8594 -9.8594 -2.3497 -2.3497 -2.3229 -2.3229 -1.6778 -1.6778 -1.6678 -1.6678 -1.4633 -1.4633 -1.2859 -1.2859 -1.0198 -1.0198 -0.9906 -0.9906 -0.9471 -0.9471 -0.8630 -0.8630 -0.5345 -0.5345 -0.2269 -0.2269 2.9974 2.9974 3.0931 3.0931 5.3027 5.3027 5.5367 5.5367 6.3531 6.3531 6.7411 6.7411 8.7169 8.7169 8.9558 8.9558 9.0778 9.0778 9.6288 9.6288 k = 0.4231 0.2443 0.3010 ( 4340 PWs) bands (ev): -28.1821 -28.1821 -11.0155 -11.0155 -9.9010 -9.9010 -9.8597 -9.8597 -2.3465 -2.3465 -2.3233 -2.3233 -1.6769 -1.6769 -1.6674 -1.6674 -1.4592 -1.4592 -1.2823 -1.2823 -1.0184 -1.0184 -0.9928 -0.9928 -0.9477 -0.9477 -0.8614 -0.8614 -0.5039 -0.5039 -0.2192 -0.2192 2.9530 2.9530 3.0469 3.0469 5.2894 5.2894 5.5189 5.5189 6.3621 6.3621 6.7486 6.7486 8.6996 8.6996 8.9636 8.9636 9.0415 9.0415 9.5994 9.5994 k = 0.4359 0.2517 0.3010 ( 4336 PWs) bands (ev): -28.1820 -28.1820 -11.0158 -11.0158 -9.9017 -9.9017 -9.8599 -9.8599 -2.3436 -2.3436 -2.3238 -2.3238 -1.6761 -1.6761 -1.6671 -1.6671 -1.4557 -1.4557 -1.2792 -1.2792 -1.0168 -1.0168 -0.9951 -0.9951 -0.9483 -0.9483 -0.8601 -0.8601 -0.4748 -0.4748 -0.2143 -0.2143 2.9160 2.9160 3.0056 3.0056 5.2782 5.2782 5.5040 5.5040 6.3689 6.3689 6.7566 6.7566 8.6822 8.6822 8.9659 8.9659 9.0197 9.0197 9.5725 9.5725 k = 0.4487 0.2591 0.3010 ( 4332 PWs) bands (ev): -28.1820 -28.1820 -11.0161 -11.0161 -9.9023 -9.9023 -9.8601 -9.8601 -2.3410 -2.3410 -2.3244 -2.3244 -1.6754 -1.6754 -1.6668 -1.6668 -1.4529 -1.4529 -1.2766 -1.2766 -1.0152 -1.0152 -0.9975 -0.9975 -0.9487 -0.9487 -0.8591 -0.8591 -0.4480 -0.4480 -0.2122 -0.2122 2.8865 2.8865 2.9698 2.9698 5.2690 5.2690 5.4919 5.4919 6.3740 6.3740 6.7644 6.7644 8.6656 8.6656 8.9572 8.9572 9.0163 9.0163 9.5487 9.5487 k = 0.4615 0.2665 0.3010 ( 4334 PWs) bands (ev): -28.1820 -28.1820 -11.0164 -11.0164 -9.9027 -9.9027 -9.8602 -9.8602 -2.3388 -2.3388 -2.3252 -2.3252 -1.6749 -1.6749 -1.6666 -1.6666 -1.4507 -1.4507 -1.2747 -1.2747 -1.0134 -1.0134 -1.0000 -1.0000 -0.9490 -0.9490 -0.8583 -0.8583 -0.4249 -0.4249 -0.2123 -0.2123 2.8646 2.8646 2.9402 2.9402 5.2618 5.2618 5.4826 5.4826 6.3775 6.3775 6.7712 6.7712 8.6510 8.6510 8.9446 8.9446 9.0225 9.0225 9.5287 9.5287 k = 0.4744 0.2739 0.3010 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0166 -11.0166 -9.9031 -9.9031 -9.8603 -9.8603 -2.3370 -2.3370 -2.3260 -2.3260 -1.6745 -1.6745 -1.6664 -1.6664 -1.4492 -1.4492 -1.2732 -1.2732 -1.0114 -1.0114 -1.0023 -1.0023 -0.9493 -0.9493 -0.8578 -0.8578 -0.4066 -0.4066 -0.2138 -0.2138 2.8498 2.8498 2.9178 2.9178 5.2567 5.2567 5.4760 5.4760 6.3798 6.3798 6.7766 6.7766 8.6395 8.6395 8.9344 8.9344 9.0300 9.0300 9.5135 9.5135 k = 0.4872 0.2813 0.3010 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9033 -9.9033 -9.8603 -9.8603 -2.3357 -2.3357 -2.3266 -2.3266 -1.6743 -1.6743 -1.6663 -1.6663 -1.4482 -1.4482 -1.2724 -1.2724 -1.0095 -1.0095 -1.0046 -1.0046 -0.9494 -0.9494 -0.8574 -0.8574 -0.3948 -0.3948 -0.2154 -0.2154 2.8415 2.8415 2.9037 2.9037 5.2536 5.2536 5.4720 5.4720 6.3811 6.3811 6.7801 6.7801 8.6322 8.6322 8.9281 8.9281 9.0355 9.0355 9.5039 9.5039 k = 0.5000 0.2887 0.3010 ( 4316 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3353 -2.3353 -2.3268 -2.3268 -1.6742 -1.6742 -1.6663 -1.6663 -1.4479 -1.4479 -1.2721 -1.2721 -1.0080 -1.0080 -1.0061 -1.0061 -0.9494 -0.9494 -0.8573 -0.8573 -0.3907 -0.3907 -0.2161 -0.2161 2.8389 2.8389 2.8988 2.8988 5.2526 5.2526 5.4707 5.4707 6.3815 6.3815 6.7812 6.7812 8.6296 8.6296 8.9261 8.9261 9.0375 9.0375 9.5007 9.5007 k = 0.5000 0.2887 0.3010 ( 4316 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3353 -2.3353 -2.3268 -2.3268 -1.6742 -1.6742 -1.6663 -1.6663 -1.4479 -1.4479 -1.2721 -1.2721 -1.0080 -1.0080 -1.0061 -1.0061 -0.9494 -0.9494 -0.8573 -0.8573 -0.3907 -0.3907 -0.2161 -0.2161 2.8389 2.8389 2.8988 2.8988 5.2526 5.2526 5.4707 5.4707 6.3815 6.3815 6.7812 6.7812 8.6296 8.6296 8.9261 8.9261 9.0375 9.0375 9.5007 9.5007 k = 0.4928 0.3012 0.3010 ( 4328 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9033 -9.9033 -9.8604 -9.8604 -2.3370 -2.3370 -2.3249 -2.3249 -1.6745 -1.6745 -1.6660 -1.6660 -1.4483 -1.4483 -1.2716 -1.2716 -1.0081 -1.0081 -1.0059 -1.0059 -0.9494 -0.9494 -0.8575 -0.8575 -0.3904 -0.3904 -0.2155 -0.2155 2.8393 2.8393 2.8996 2.8996 5.2517 5.2517 5.4665 5.4665 6.3764 6.3764 6.7751 6.7751 8.6324 8.6324 8.9336 8.9336 9.0496 9.0496 9.5001 9.5001 k = 0.4855 0.3138 0.3010 ( 4336 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9032 -9.9032 -9.8606 -9.8606 -2.3402 -2.3402 -2.3211 -2.3211 -1.6752 -1.6752 -1.6653 -1.6653 -1.4493 -1.4493 -1.2703 -1.2703 -1.0084 -1.0084 -1.0054 -1.0054 -0.9494 -0.9494 -0.8580 -0.8580 -0.3898 -0.3898 -0.2138 -0.2138 2.8405 2.8405 2.9019 2.9019 5.2486 5.2486 5.4544 5.4544 6.3609 6.3609 6.7576 6.7576 8.6402 8.6402 8.9561 8.9561 9.0854 9.0854 9.4988 9.4988 k = 0.4783 0.3263 0.3010 ( 4328 PWs) bands (ev): -28.1819 -28.1819 -11.0168 -11.0168 -9.9030 -9.9030 -9.8610 -9.8610 -2.3436 -2.3436 -2.3167 -2.3167 -1.6761 -1.6761 -1.6642 -1.6642 -1.4510 -1.4510 -1.2682 -1.2682 -1.0085 -1.0085 -1.0046 -1.0046 -0.9492 -0.9492 -0.8589 -0.8589 -0.3887 -0.3887 -0.2111 -0.2111 2.8426 2.8426 2.9057 2.9057 5.2419 5.2419 5.4366 5.4366 6.3348 6.3348 6.7312 6.7312 8.6523 8.6523 8.9924 8.9924 9.1436 9.1436 9.4975 9.4975 k = 0.4710 0.3389 0.3010 ( 4338 PWs) bands (ev): -28.1819 -28.1819 -11.0168 -11.0168 -9.9027 -9.9027 -9.8615 -9.8615 -2.3470 -2.3470 -2.3120 -2.3120 -1.6772 -1.6772 -1.6629 -1.6629 -1.4533 -1.4533 -1.2654 -1.2654 -1.0086 -1.0086 -1.0038 -1.0038 -0.9490 -0.9490 -0.8601 -0.8601 -0.3871 -0.3871 -0.2075 -0.2075 2.8454 2.8454 2.9109 2.9109 5.2290 5.2290 5.4163 5.4163 6.2979 6.2979 6.6989 6.6989 8.6677 8.6677 9.0404 9.0404 9.2219 9.2219 9.4980 9.4980 k = 0.4638 0.3514 0.3010 ( 4334 PWs) bands (ev): -28.1819 -28.1819 -11.0169 -11.0169 -9.9023 -9.9023 -9.8621 -9.8621 -2.3501 -2.3501 -2.3072 -2.3072 -1.6783 -1.6783 -1.6616 -1.6616 -1.4561 -1.4561 -1.2619 -1.2619 -1.0085 -1.0085 -1.0029 -1.0029 -0.9487 -0.9487 -0.8616 -0.8616 -0.3849 -0.3849 -0.2029 -0.2029 2.8490 2.8490 2.9174 2.9174 5.2067 5.2067 5.3978 5.3978 6.2507 6.2507 6.6636 6.6636 8.6858 8.6858 9.0964 9.0964 9.3178 9.3178 9.5032 9.5032 k = 0.4565 0.3640 0.3010 ( 4346 PWs) bands (ev): -28.1819 -28.1819 -11.0170 -11.0170 -9.9019 -9.9019 -9.8629 -9.8629 -2.3530 -2.3530 -2.3022 -2.3022 -1.6795 -1.6795 -1.6602 -1.6602 -1.4592 -1.4592 -1.2579 -1.2579 -1.0082 -1.0082 -1.0019 -1.0019 -0.9484 -0.9484 -0.8635 -0.8635 -0.3822 -0.3822 -0.1976 -0.1976 2.8533 2.8533 2.9252 2.9252 5.1729 5.1729 5.3844 5.3844 6.1948 6.1948 6.6273 6.6273 8.7065 8.7065 9.1540 9.1540 9.4283 9.4283 9.5184 9.5184 k = 0.4493 0.3765 0.3010 ( 4352 PWs) bands (ev): -28.1818 -28.1818 -11.0171 -11.0171 -9.9014 -9.9014 -9.8638 -9.8638 -2.3557 -2.3557 -2.2973 -2.2973 -1.6806 -1.6806 -1.6587 -1.6587 -1.4627 -1.4627 -1.2535 -1.2535 -1.0077 -1.0077 -1.0008 -1.0008 -0.9480 -0.9480 -0.8656 -0.8656 -0.3789 -0.3789 -0.1916 -0.1916 2.8582 2.8582 2.9340 2.9340 5.1281 5.1281 5.3762 5.3762 6.1324 6.1324 6.5911 6.5911 8.7295 8.7295 9.2047 9.2047 9.5452 9.5452 9.5566 9.5566 k = 0.4420 0.3891 0.3010 ( 4346 PWs) bands (ev): -28.1818 -28.1818 -11.0172 -11.0172 -9.9008 -9.9008 -9.8648 -9.8648 -2.3581 -2.3581 -2.2924 -2.2924 -1.6817 -1.6817 -1.6572 -1.6572 -1.4664 -1.4664 -1.2489 -1.2489 -1.0072 -1.0072 -0.9996 -0.9996 -0.9476 -0.9476 -0.8681 -0.8681 -0.3749 -0.3749 -0.1852 -0.1852 2.8637 2.8637 2.9436 2.9436 5.0750 5.0750 5.3712 5.3712 6.0669 6.0669 6.5552 6.5552 8.7548 8.7548 9.2402 9.2402 9.6073 9.6073 9.6836 9.6836 k = 0.4348 0.4016 0.3010 ( 4350 PWs) bands (ev): -28.1818 -28.1818 -11.0173 -11.0173 -9.9001 -9.9001 -9.8659 -9.8659 -2.3603 -2.3603 -2.2875 -2.2875 -1.6827 -1.6827 -1.6558 -1.6558 -1.4702 -1.4702 -1.2440 -1.2440 -1.0065 -1.0065 -0.9982 -0.9982 -0.9470 -0.9470 -0.8708 -0.8708 -0.3702 -0.3702 -0.1785 -0.1785 2.8696 2.8696 2.9540 2.9540 5.0163 5.0163 5.3667 5.3667 6.0019 6.0019 6.5196 6.5196 8.7822 8.7822 9.2587 9.2587 9.6898 9.6898 9.8224 9.8224 k = 0.4275 0.4142 0.3010 ( 4344 PWs) bands (ev): -28.1818 -28.1818 -11.0174 -11.0174 -9.8994 -9.8994 -9.8671 -9.8671 -2.3623 -2.3623 -2.2828 -2.2828 -1.6836 -1.6836 -1.6543 -1.6543 -1.4740 -1.4740 -1.2391 -1.2391 -1.0059 -1.0059 -0.9965 -0.9965 -0.9464 -0.9464 -0.8737 -0.8737 -0.3647 -0.3647 -0.1717 -0.1717 2.8758 2.8758 2.9648 2.9648 4.9545 4.9545 5.3598 5.3598 5.9411 5.9411 6.4838 6.4838 8.8118 8.8118 9.2646 9.2646 9.7919 9.7919 9.9662 9.9662 k = 0.4203 0.4267 0.3010 ( 4344 PWs) bands (ev): -28.1818 -28.1818 -11.0176 -11.0176 -9.8986 -9.8986 -9.8684 -9.8684 -2.3640 -2.3640 -2.2782 -2.2782 -1.6845 -1.6845 -1.6528 -1.6528 -1.4778 -1.4778 -1.2343 -1.2343 -1.0053 -1.0053 -0.9945 -0.9945 -0.9458 -0.9458 -0.8769 -0.8769 -0.3586 -0.3586 -0.1649 -0.1649 2.8823 2.8823 2.9759 2.9759 4.8916 4.8916 5.3479 5.3479 5.8886 5.8886 6.4479 6.4479 8.8431 8.8431 9.2628 9.2628 9.9077 9.9077 10.1130 10.1130 k = 0.4130 0.4393 0.3010 ( 4350 PWs) bands (ev): -28.1817 -28.1817 -11.0177 -11.0177 -9.8978 -9.8978 -9.8698 -9.8698 -2.3656 -2.3656 -2.2738 -2.2738 -1.6853 -1.6853 -1.6513 -1.6513 -1.4814 -1.4814 -1.2296 -1.2296 -1.0049 -1.0049 -0.9923 -0.9923 -0.9450 -0.9450 -0.8802 -0.8802 -0.3517 -0.3517 -0.1583 -0.1583 2.8887 2.8887 2.9869 2.9869 4.8291 4.8291 5.3286 5.3286 5.8477 5.8477 6.4116 6.4116 8.8759 8.8759 9.2567 9.2567 10.0327 10.0327 10.2606 10.2606 k = 0.4058 0.4518 0.3010 ( 4346 PWs) bands (ev): -28.1817 -28.1817 -11.0179 -11.0179 -9.8969 -9.8969 -9.8712 -9.8712 -2.3669 -2.3669 -2.2697 -2.2697 -1.6861 -1.6861 -1.6499 -1.6499 -1.4850 -1.4850 -1.2251 -1.2251 -1.0045 -1.0045 -0.9897 -0.9897 -0.9442 -0.9442 -0.8837 -0.8837 -0.3442 -0.3442 -0.1521 -0.1521 2.8951 2.8951 2.9977 2.9977 4.7683 4.7683 5.3010 5.3010 5.8205 5.8205 6.3749 6.3749 8.9099 8.9099 9.2483 9.2483 10.1638 10.1638 10.4065 10.4065 k = 0.3986 0.4644 0.3010 ( 4346 PWs) bands (ev): -28.1817 -28.1817 -11.0180 -11.0180 -9.8959 -9.8959 -9.8727 -9.8727 -2.3680 -2.3680 -2.2659 -2.2659 -1.6867 -1.6867 -1.6486 -1.6486 -1.4883 -1.4883 -1.2208 -1.2208 -1.0043 -1.0043 -0.9870 -0.9870 -0.9433 -0.9433 -0.8873 -0.8873 -0.3360 -0.3360 -0.1464 -0.1464 2.9011 2.9011 3.0078 3.0078 4.7103 4.7103 5.2659 5.2659 5.8069 5.8069 6.3380 6.3380 8.9445 8.9445 9.2388 9.2388 10.2986 10.2986 10.5476 10.5476 k = 0.3913 0.4769 0.3010 ( 4350 PWs) bands (ev): -28.1817 -28.1817 -11.0182 -11.0182 -9.8949 -9.8949 -9.8742 -9.8742 -2.3689 -2.3689 -2.2624 -2.2624 -1.6872 -1.6872 -1.6473 -1.6473 -1.4913 -1.4913 -1.2169 -1.2169 -1.0042 -1.0042 -0.9842 -0.9842 -0.9424 -0.9424 -0.8910 -0.8910 -0.3273 -0.3273 -0.1415 -0.1415 2.9067 2.9067 3.0170 3.0170 4.6560 4.6560 5.2257 5.2257 5.8054 5.8054 6.3009 6.3009 8.9792 8.9792 9.2288 9.2288 10.4351 10.4351 10.6793 10.6793 k = 0.3841 0.4895 0.3010 ( 4350 PWs) bands (ev): -28.1816 -28.1816 -11.0183 -11.0183 -9.8939 -9.8939 -9.8757 -9.8757 -2.3697 -2.3697 -2.2592 -2.2592 -1.6877 -1.6877 -1.6461 -1.6461 -1.4940 -1.4940 -1.2133 -1.2133 -1.0041 -1.0041 -0.9813 -0.9813 -0.9413 -0.9413 -0.8946 -0.8946 -0.3182 -0.3182 -0.1373 -0.1373 2.9117 2.9117 3.0251 3.0251 4.6065 4.6065 5.1837 5.1837 5.8135 5.8135 6.2638 6.2638 9.0134 9.0134 9.2190 9.2190 10.5715 10.5715 10.7940 10.7940 k = 0.3768 0.5020 0.3010 ( 4350 PWs) bands (ev): -28.1816 -28.1816 -11.0184 -11.0184 -9.8928 -9.8928 -9.8772 -9.8772 -2.3703 -2.3703 -2.2564 -2.2564 -1.6881 -1.6881 -1.6450 -1.6450 -1.4965 -1.4965 -1.2101 -1.2101 -1.0041 -1.0041 -0.9785 -0.9785 -0.9402 -0.9402 -0.8981 -0.8981 -0.3089 -0.3089 -0.1341 -0.1341 2.9161 2.9161 3.0318 3.0318 4.5622 4.5622 5.1427 5.1427 5.8288 5.8288 6.2269 6.2269 9.0462 9.0462 9.2094 9.2094 10.7058 10.7058 10.8786 10.8786 k = 0.3696 0.5146 0.3010 ( 4342 PWs) bands (ev): -28.1816 -28.1816 -11.0185 -11.0185 -9.8917 -9.8917 -9.8787 -9.8787 -2.3708 -2.3708 -2.2541 -2.2541 -1.6884 -1.6884 -1.6440 -1.6440 -1.4985 -1.4985 -1.2073 -1.2073 -1.0042 -1.0042 -0.9759 -0.9759 -0.9390 -0.9390 -0.9015 -0.9015 -0.2996 -0.2996 -0.1319 -0.1319 2.9197 2.9197 3.0370 3.0370 4.5240 4.5240 5.1050 5.1050 5.8494 5.8494 6.1905 6.1905 9.0769 9.0769 9.2005 9.2005 10.8347 10.8347 10.9219 10.9219 k = 0.3623 0.5271 0.3010 ( 4334 PWs) bands (ev): -28.1816 -28.1816 -11.0186 -11.0186 -9.8906 -9.8906 -9.8801 -9.8801 -2.3711 -2.3711 -2.2521 -2.2521 -1.6886 -1.6886 -1.6431 -1.6431 -1.5002 -1.5002 -1.2050 -1.2050 -1.0042 -1.0042 -0.9737 -0.9737 -0.9377 -0.9377 -0.9045 -0.9045 -0.2908 -0.2908 -0.1305 -0.1305 2.9225 2.9225 3.0406 3.0406 4.4923 4.4923 5.0724 5.0724 5.8736 5.8736 6.1550 6.1550 9.1044 9.1044 9.1923 9.1923 10.9160 10.9160 10.9703 10.9703 k = 0.3551 0.5397 0.3010 ( 4354 PWs) bands (ev): -28.1816 -28.1816 -11.0187 -11.0187 -9.8894 -9.8894 -9.8816 -9.8816 -2.3714 -2.3714 -2.2506 -2.2506 -1.6888 -1.6888 -1.6425 -1.6425 -1.5015 -1.5015 -1.2032 -1.2032 -1.0044 -1.0044 -0.9719 -0.9719 -0.9365 -0.9365 -0.9073 -0.9073 -0.2828 -0.2828 -0.1301 -0.1301 2.9245 2.9245 3.0428 3.0428 4.4674 4.4674 5.0461 5.0461 5.9000 5.9000 6.1208 6.1208 9.1278 9.1278 9.1849 9.1849 10.9101 10.9101 11.0800 11.0800 k = 0.3478 0.5522 0.3010 ( 4356 PWs) bands (ev): -28.1816 -28.1816 -11.0188 -11.0188 -9.8882 -9.8882 -9.8829 -9.8829 -2.3716 -2.3716 -2.2495 -2.2495 -1.6889 -1.6889 -1.6420 -1.6420 -1.5024 -1.5024 -1.2019 -1.2019 -1.0044 -1.0044 -0.9706 -0.9706 -0.9355 -0.9355 -0.9094 -0.9094 -0.2762 -0.2762 -0.1302 -0.1302 2.9257 2.9257 3.0437 3.0437 4.4495 4.4495 5.0269 5.0269 5.9266 5.9266 6.0892 6.0892 9.1462 9.1462 9.1786 9.1786 10.8975 10.8975 11.1774 11.1774 k = 0.3406 0.5648 0.3010 ( 4344 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8871 -9.8871 -9.8842 -9.8842 -2.3717 -2.3717 -2.2489 -2.2489 -1.6889 -1.6889 -1.6417 -1.6417 -1.5029 -1.5029 -1.2011 -1.2011 -1.0045 -1.0045 -0.9698 -0.9698 -0.9347 -0.9347 -0.9107 -0.9107 -0.2717 -0.2717 -0.1305 -0.1305 2.9264 2.9264 3.0438 3.0438 4.4389 4.4389 5.0153 5.0153 5.9498 5.9498 6.0633 6.0633 9.1584 9.1584 9.1739 9.1739 10.8883 10.8883 11.2455 11.2455 k = 0.3333 0.5774 0.3010 ( 4344 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3717 -2.3717 -2.2486 -2.2486 -1.6889 -1.6889 -1.6416 -1.6416 -1.5031 -1.5031 -1.2008 -1.2008 -1.0045 -1.0045 -0.9695 -0.9695 -0.9344 -0.9344 -0.9112 -0.9112 -0.2701 -0.2701 -0.1307 -0.1307 2.9265 2.9265 3.0437 3.0437 4.4354 4.4354 5.0114 5.0114 5.9604 5.9604 6.0520 6.0520 9.1626 9.1626 9.1722 9.1722 10.8850 10.8850 11.2677 11.2677 k = 0.3333 0.5774 0.3010 ( 4344 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3717 -2.3717 -2.2486 -2.2486 -1.6889 -1.6889 -1.6416 -1.6416 -1.5031 -1.5031 -1.2008 -1.2008 -1.0045 -1.0045 -0.9695 -0.9695 -0.9344 -0.9344 -0.9112 -0.9112 -0.2701 -0.2701 -0.1307 -0.1307 2.9265 2.9265 3.0437 3.0437 4.4354 4.4354 5.0114 5.0114 5.9604 5.9604 6.0520 6.0520 9.1626 9.1626 9.1722 9.1722 10.8850 10.8850 11.2677 11.2677 k = 0.3259 0.5645 0.3010 ( 4344 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8871 -9.8871 -9.8842 -9.8842 -2.3717 -2.3717 -2.2489 -2.2489 -1.6889 -1.6889 -1.6417 -1.6417 -1.5029 -1.5029 -1.2011 -1.2011 -1.0045 -1.0045 -0.9698 -0.9698 -0.9347 -0.9347 -0.9107 -0.9107 -0.2720 -0.2720 -0.1304 -0.1304 2.9265 2.9265 3.0441 3.0441 4.4390 4.4390 5.0154 5.0154 5.9496 5.9496 6.0635 6.0635 9.1606 9.1606 9.1716 9.1716 10.8880 10.8880 11.2528 11.2528 k = 0.3185 0.5517 0.3010 ( 4350 PWs) bands (ev): -28.1816 -28.1816 -11.0188 -11.0188 -9.8882 -9.8882 -9.8830 -9.8830 -2.3716 -2.3716 -2.2495 -2.2495 -1.6889 -1.6889 -1.6420 -1.6420 -1.5025 -1.5025 -1.2020 -1.2020 -1.0044 -1.0044 -0.9705 -0.9705 -0.9354 -0.9354 -0.9095 -0.9095 -0.2781 -0.2781 -0.1294 -0.1294 2.9265 2.9265 3.0457 3.0457 4.4496 4.4496 5.0273 5.0273 5.9263 5.9263 6.0887 6.0887 9.1567 9.1567 9.1680 9.1680 10.8947 10.8947 11.2219 11.2219 k = 0.3111 0.5389 0.3010 ( 4358 PWs) bands (ev): -28.1816 -28.1816 -11.0187 -11.0187 -9.8892 -9.8892 -9.8818 -9.8818 -2.3715 -2.3715 -2.2506 -2.2506 -1.6889 -1.6889 -1.6425 -1.6425 -1.5018 -1.5018 -1.2035 -1.2035 -1.0042 -1.0042 -0.9717 -0.9717 -0.9363 -0.9363 -0.9078 -0.9078 -0.2883 -0.2883 -0.1280 -0.1280 2.9272 2.9272 3.0492 3.0492 4.4668 4.4668 5.0467 5.0467 5.8995 5.8995 6.1181 6.1181 9.1490 9.1490 9.1640 9.1640 10.8992 10.8992 11.1896 11.1896 k = 0.3037 0.5260 0.3010 ( 4354 PWs) bands (ev): -28.1816 -28.1816 -11.0186 -11.0186 -9.8901 -9.8901 -9.8805 -9.8805 -2.3715 -2.3715 -2.2521 -2.2521 -1.6888 -1.6888 -1.6433 -1.6433 -1.5008 -1.5008 -1.2056 -1.2056 -1.0039 -1.0039 -0.9732 -0.9732 -0.9373 -0.9373 -0.9058 -0.9058 -0.3026 -0.3026 -0.1264 -0.1264 2.9292 2.9292 3.0551 3.0551 4.4903 4.4903 5.0731 5.0731 5.8725 5.8725 6.1483 6.1483 9.1354 9.1354 9.1628 9.1628 10.8921 10.8921 11.1673 11.1673 k = 0.2963 0.5132 0.3010 ( 4362 PWs) bands (ev): -28.1816 -28.1816 -11.0184 -11.0184 -9.8909 -9.8909 -9.8792 -9.8792 -2.3714 -2.3714 -2.2539 -2.2539 -1.6888 -1.6888 -1.6442 -1.6442 -1.4998 -1.4998 -1.2084 -1.2084 -1.0035 -1.0035 -0.9750 -0.9750 -0.9382 -0.9382 -0.9037 -0.9037 -0.3206 -0.3206 -0.1254 -0.1254 2.9332 2.9332 3.0639 3.0639 4.5197 4.5197 5.1061 5.1061 5.8464 5.8464 6.1777 6.1777 9.1174 9.1174 9.1638 9.1638 10.8662 10.8662 11.1579 11.1579 k = 0.2889 0.5004 0.3010 ( 4354 PWs) bands (ev): -28.1816 -28.1816 -11.0182 -11.0182 -9.8916 -9.8916 -9.8779 -9.8779 -2.3714 -2.3714 -2.2561 -2.2561 -1.6887 -1.6887 -1.6453 -1.6453 -1.4987 -1.4987 -1.2118 -1.2118 -1.0030 -1.0030 -0.9770 -0.9770 -0.9390 -0.9390 -0.9016 -0.9016 -0.3417 -0.3417 -0.1254 -0.1254 2.9402 2.9402 3.0758 3.0758 4.5544 4.5544 5.1449 5.1449 5.8217 5.8217 6.2056 6.2056 9.0969 9.0969 9.1667 9.1667 10.8236 10.8236 11.1478 11.1478 k = 0.2815 0.4875 0.3010 ( 4350 PWs) bands (ev): -28.1817 -28.1817 -11.0179 -11.0179 -9.8921 -9.8921 -9.8766 -9.8766 -2.3714 -2.3714 -2.2587 -2.2587 -1.6887 -1.6887 -1.6465 -1.6465 -1.4976 -1.4976 -1.2158 -1.2158 -1.0025 -1.0025 -0.9791 -0.9791 -0.9397 -0.9397 -0.8996 -0.8996 -0.3655 -0.3655 -0.1270 -0.1270 2.9508 2.9508 3.0910 3.0910 4.5940 4.5940 5.1892 5.1892 5.7987 5.7987 6.2313 6.2313 9.0751 9.0751 9.1712 9.1712 10.7712 10.7712 11.1281 11.1281 k = 0.2741 0.4747 0.3010 ( 4350 PWs) bands (ev): -28.1817 -28.1817 -11.0176 -11.0176 -9.8926 -9.8926 -9.8753 -9.8753 -2.3715 -2.3715 -2.2615 -2.2615 -1.6887 -1.6887 -1.6479 -1.6479 -1.4966 -1.4966 -1.2204 -1.2204 -1.0019 -1.0019 -0.9812 -0.9812 -0.9402 -0.9402 -0.8977 -0.8977 -0.3917 -0.3917 -0.1305 -0.1305 2.9660 2.9660 3.1093 3.1093 4.6383 4.6383 5.2381 5.2381 5.7777 5.7777 6.2543 6.2543 9.0531 9.0531 9.1776 9.1776 10.7150 10.7150 11.1043 11.1043 k = 0.2667 0.4619 0.3010 ( 4356 PWs) bands (ev): -28.1818 -28.1818 -11.0173 -11.0173 -9.8929 -9.8929 -9.8741 -9.8741 -2.3716 -2.3716 -2.2647 -2.2647 -1.6888 -1.6888 -1.6494 -1.6494 -1.4958 -1.4958 -1.2257 -1.2257 -1.0015 -1.0015 -0.9832 -0.9832 -0.9406 -0.9406 -0.8960 -0.8960 -0.4196 -0.4196 -0.1363 -0.1363 2.9862 2.9862 3.1309 3.1309 4.6868 4.6868 5.2909 5.2909 5.7591 5.7591 6.2742 6.2742 9.0319 9.0319 9.1857 9.1857 10.6586 10.6586 11.0804 11.0804 k = 0.2593 0.4491 0.3010 ( 4356 PWs) bands (ev): -28.1818 -28.1818 -11.0169 -11.0169 -9.8931 -9.8931 -9.8728 -9.8728 -2.3719 -2.3719 -2.2681 -2.2681 -1.6889 -1.6889 -1.6510 -1.6510 -1.4953 -1.4953 -1.2315 -1.2315 -1.0013 -1.0013 -0.9850 -0.9850 -0.9408 -0.9408 -0.8945 -0.8945 -0.4491 -0.4491 -0.1444 -0.1444 3.0121 3.0121 3.1556 3.1556 4.7392 4.7392 5.3470 5.3470 5.7432 5.7432 6.2908 6.2908 9.0122 9.0122 9.1958 9.1958 10.6042 10.6042 11.0571 11.0571 k = 0.2519 0.4362 0.3010 ( 4364 PWs) bands (ev): -28.1819 -28.1819 -11.0165 -11.0165 -9.8932 -9.8932 -9.8715 -9.8715 -2.3724 -2.3724 -2.2717 -2.2717 -1.6890 -1.6890 -1.6527 -1.6527 -1.4951 -1.4951 -1.2379 -1.2379 -1.0015 -1.0015 -0.9864 -0.9864 -0.9408 -0.9408 -0.8933 -0.8933 -0.4795 -0.4795 -0.1550 -0.1550 3.0438 3.0438 3.1833 3.1833 4.7951 4.7951 5.4052 5.4052 5.7307 5.7307 6.3037 6.3037 8.9947 8.9947 9.2079 9.2079 10.5532 10.5532 11.0331 11.0331 k = 0.2444 0.4234 0.3010 ( 4360 PWs) bands (ev): -28.1820 -28.1820 -11.0160 -11.0160 -9.8932 -9.8932 -9.8702 -9.8702 -2.3730 -2.3730 -2.2756 -2.2756 -1.6892 -1.6892 -1.6544 -1.6544 -1.4953 -1.4953 -1.2448 -1.2448 -1.0024 -1.0024 -0.9871 -0.9871 -0.9408 -0.9408 -0.8923 -0.8923 -0.5106 -0.5106 -0.1681 -0.1681 3.0817 3.0817 3.2140 3.2140 4.8544 4.8544 5.4640 5.4640 5.7226 5.7226 6.3129 6.3129 8.9796 8.9796 9.2222 9.2222 10.5066 10.5066 11.0042 11.0042 k = 0.2370 0.4106 0.3010 ( 4356 PWs) bands (ev): -28.1820 -28.1820 -11.0154 -11.0154 -9.8931 -9.8931 -9.8688 -9.8688 -2.3739 -2.3739 -2.2796 -2.2796 -1.6895 -1.6895 -1.6562 -1.6562 -1.4961 -1.4961 -1.2522 -1.2522 -1.0038 -1.0038 -0.9871 -0.9871 -0.9406 -0.9406 -0.8916 -0.8916 -0.5419 -0.5419 -0.1836 -0.1836 3.1256 3.1256 3.2477 3.2477 4.9167 4.9167 5.5207 5.5207 5.7211 5.7211 6.3182 6.3182 8.9673 8.9673 9.2389 9.2389 10.4650 10.4650 10.9620 10.9620 k = 0.2296 0.3977 0.3010 ( 4352 PWs) bands (ev): -28.1821 -28.1821 -11.0149 -11.0149 -9.8929 -9.8929 -9.8675 -9.8675 -2.3750 -2.3750 -2.2838 -2.2838 -1.6898 -1.6898 -1.6579 -1.6579 -1.4974 -1.4974 -1.2601 -1.2601 -1.0058 -1.0058 -0.9867 -0.9867 -0.9405 -0.9405 -0.8911 -0.8911 -0.5730 -0.5730 -0.2014 -0.2014 3.1751 3.1751 3.2846 3.2846 4.9818 4.9818 5.5703 5.5703 5.7310 5.7310 6.3199 6.3199 8.9578 8.9578 9.2579 9.2579 10.4289 10.4289 10.9022 10.9022 k = 0.2222 0.3849 0.3010 ( 4348 PWs) bands (ev): -28.1822 -28.1822 -11.0143 -11.0143 -9.8926 -9.8926 -9.8662 -9.8662 -2.3763 -2.3763 -2.2881 -2.2881 -1.6903 -1.6903 -1.6597 -1.6597 -1.4995 -1.4995 -1.2683 -1.2683 -1.0082 -1.0082 -0.9859 -0.9859 -0.9405 -0.9405 -0.8908 -0.8908 -0.6034 -0.6034 -0.2212 -0.2212 3.2291 3.2291 3.3254 3.3254 5.0495 5.0495 5.6057 5.6057 5.7587 5.7587 6.3182 6.3182 8.9512 8.9512 9.2796 9.2796 10.3983 10.3983 10.8330 10.8330 k = 0.2148 0.3721 0.3010 ( 4340 PWs) bands (ev): -28.1823 -28.1823 -11.0136 -11.0136 -9.8922 -9.8922 -9.8648 -9.8648 -2.3780 -2.3780 -2.2925 -2.2925 -1.6908 -1.6908 -1.6614 -1.6614 -1.5022 -1.5022 -1.2769 -1.2769 -1.0108 -1.0108 -0.9849 -0.9849 -0.9406 -0.9406 -0.8907 -0.8907 -0.6329 -0.6329 -0.2429 -0.2429 3.2854 3.2854 3.3720 3.3720 5.1195 5.1195 5.6261 5.6261 5.8044 5.8044 6.3136 6.3136 8.9473 8.9473 9.3040 9.3040 10.3729 10.3729 10.7625 10.7625 k = 0.2074 0.3592 0.3010 ( 4336 PWs) bands (ev): -28.1824 -28.1824 -11.0129 -11.0129 -9.8917 -9.8917 -9.8634 -9.8634 -2.3801 -2.3801 -2.2970 -2.2970 -1.6914 -1.6914 -1.6630 -1.6630 -1.5059 -1.5059 -1.2858 -1.2858 -1.0135 -1.0135 -0.9839 -0.9839 -0.9413 -0.9413 -0.8907 -0.8907 -0.6610 -0.6610 -0.2661 -0.2661 3.3404 3.3404 3.4275 3.4275 5.1916 5.1916 5.6382 5.6382 5.8605 5.8605 6.3068 6.3068 8.9460 8.9460 9.3313 9.3313 10.3514 10.3514 10.6951 10.6951 k = 0.2000 0.3464 0.3010 ( 4336 PWs) bands (ev): -28.1825 -28.1825 -11.0122 -11.0122 -9.8913 -9.8913 -9.8619 -9.8619 -2.3826 -2.3826 -2.3014 -2.3014 -1.6922 -1.6922 -1.6646 -1.6646 -1.5104 -1.5104 -1.2950 -1.2950 -1.0162 -1.0162 -0.9828 -0.9828 -0.9426 -0.9426 -0.8907 -0.8907 -0.6873 -0.6873 -0.2906 -0.2906 3.3909 3.3909 3.4944 3.4944 5.2655 5.2655 5.6481 5.6481 5.9198 5.9198 6.2992 6.2992 8.9471 8.9471 9.3615 9.3615 10.3318 10.3318 10.6347 10.6347 k = 0.1926 0.3336 0.3010 ( 4336 PWs) bands (ev): -28.1826 -28.1826 -11.0114 -11.0114 -9.8907 -9.8907 -9.8604 -9.8604 -2.3856 -2.3856 -2.3059 -2.3059 -1.6930 -1.6930 -1.6661 -1.6661 -1.5158 -1.5158 -1.3043 -1.3043 -1.0190 -1.0190 -0.9818 -0.9818 -0.9448 -0.9448 -0.8905 -0.8905 -0.7114 -0.7114 -0.3160 -0.3160 3.4369 3.4369 3.5722 3.5722 5.3408 5.3408 5.6588 5.6588 5.9772 5.9772 6.2930 6.2930 8.9504 8.9504 9.3947 9.3947 10.3103 10.3103 10.5854 10.5854 k = 0.1852 0.3208 0.3010 ( 4332 PWs) bands (ev): -28.1827 -28.1827 -11.0106 -11.0106 -9.8902 -9.8902 -9.8589 -9.8589 -2.3890 -2.3890 -2.3103 -2.3103 -1.6940 -1.6940 -1.6674 -1.6674 -1.5222 -1.5222 -1.3138 -1.3138 -1.0217 -1.0217 -0.9809 -0.9809 -0.9482 -0.9482 -0.8901 -0.8901 -0.7331 -0.7331 -0.3422 -0.3422 3.4798 3.4798 3.6589 3.6589 5.4171 5.4171 5.6720 5.6720 6.0276 6.0276 6.2918 6.2918 8.9558 8.9558 9.4311 9.4311 10.2825 10.2825 10.5501 10.5501 k = 0.1778 0.3079 0.3010 ( 4328 PWs) bands (ev): -28.1828 -28.1828 -11.0098 -11.0098 -9.8896 -9.8896 -9.8573 -9.8573 -2.3929 -2.3929 -2.3146 -2.3146 -1.6952 -1.6952 -1.6686 -1.6686 -1.5296 -1.5296 -1.3233 -1.3233 -1.0244 -1.0244 -0.9802 -0.9802 -0.9528 -0.9528 -0.8892 -0.8892 -0.7522 -0.7522 -0.3689 -0.3689 3.5207 3.5207 3.7528 3.7528 5.4935 5.4935 5.6890 5.6890 6.0651 6.0651 6.3011 6.3011 8.9631 8.9631 9.4706 9.4706 10.2463 10.2463 10.5208 10.5208 k = 0.1704 0.2951 0.3010 ( 4326 PWs) bands (ev): -28.1830 -28.1830 -11.0090 -11.0090 -9.8890 -9.8890 -9.8557 -9.8557 -2.3974 -2.3974 -2.3189 -2.3189 -1.6965 -1.6965 -1.6696 -1.6696 -1.5379 -1.5379 -1.3329 -1.3329 -1.0270 -1.0270 -0.9798 -0.9798 -0.9585 -0.9585 -0.8879 -0.8879 -0.7686 -0.7686 -0.3957 -0.3957 3.5599 3.5599 3.8529 3.8529 5.5683 5.5683 5.7116 5.7116 6.0849 6.0849 6.3256 6.3256 8.9719 8.9719 9.5133 9.5133 10.2034 10.2034 10.4679 10.4679 k = 0.1630 0.2823 0.3010 ( 4318 PWs) bands (ev): -28.1831 -28.1831 -11.0082 -11.0082 -9.8885 -9.8885 -9.8540 -9.8540 -2.4023 -2.4023 -2.3231 -2.3231 -1.6980 -1.6980 -1.6705 -1.6705 -1.5471 -1.5471 -1.3424 -1.3424 -1.0296 -1.0296 -0.9802 -0.9802 -0.9646 -0.9646 -0.8861 -0.8861 -0.7825 -0.7825 -0.4225 -0.4225 3.5973 3.5973 3.9586 3.9586 5.6375 5.6375 5.7434 5.7434 6.0886 6.0886 6.3638 6.3638 8.9821 8.9821 9.5591 9.5591 10.1576 10.1576 10.3969 10.3969 k = 0.1556 0.2694 0.3010 ( 4310 PWs) bands (ev): -28.1832 -28.1832 -11.0074 -11.0074 -9.8879 -9.8879 -9.8523 -9.8523 -2.4076 -2.4076 -2.3272 -2.3272 -1.6996 -1.6996 -1.6711 -1.6711 -1.5571 -1.5571 -1.3518 -1.3518 -1.0320 -1.0320 -0.9827 -0.9827 -0.9696 -0.9696 -0.8839 -0.8839 -0.7941 -0.7941 -0.4490 -0.4490 3.6330 3.6330 4.0693 4.0693 5.6936 5.6936 5.7912 5.7912 6.0825 6.0825 6.4100 6.4100 8.9928 8.9928 9.6078 9.6078 10.1127 10.1127 10.3210 10.3210 k = 0.1481 0.2566 0.3010 ( 4306 PWs) bands (ev): -28.1833 -28.1833 -11.0065 -11.0065 -9.8874 -9.8874 -9.8505 -9.8505 -2.4134 -2.4134 -2.3313 -2.3313 -1.7013 -1.7013 -1.6716 -1.6716 -1.5678 -1.5678 -1.3610 -1.3610 -1.0343 -1.0343 -0.9884 -0.9884 -0.9720 -0.9720 -0.8814 -0.8814 -0.8038 -0.8038 -0.4749 -0.4749 3.6668 3.6668 4.1847 4.1847 5.7348 5.7348 5.8549 5.8549 6.0734 6.0734 6.4591 6.4591 9.0034 9.0034 9.6593 9.6593 10.0717 10.0717 10.2431 10.2431 k = 0.1407 0.2438 0.3010 ( 4314 PWs) bands (ev): -28.1834 -28.1834 -11.0057 -11.0057 -9.8869 -9.8869 -9.8487 -9.8487 -2.4196 -2.4196 -2.3354 -2.3354 -1.7031 -1.7031 -1.6720 -1.6720 -1.5791 -1.5791 -1.3701 -1.3701 -1.0364 -1.0364 -0.9959 -0.9959 -0.9728 -0.9728 -0.8787 -0.8787 -0.8118 -0.8118 -0.5002 -0.5002 3.6984 3.6984 4.3043 4.3043 5.7680 5.7680 5.9233 5.9233 6.0686 6.0686 6.5080 6.5080 9.0125 9.0125 9.7129 9.7129 10.0369 10.0369 10.1647 10.1647 k = 0.1333 0.2309 0.3010 ( 4314 PWs) bands (ev): -28.1836 -28.1836 -11.0049 -11.0049 -9.8865 -9.8865 -9.8468 -9.8468 -2.4260 -2.4260 -2.3395 -2.3395 -1.7051 -1.7051 -1.6722 -1.6722 -1.5907 -1.5907 -1.3789 -1.3789 -1.0385 -1.0385 -1.0039 -1.0039 -0.9730 -0.9730 -0.8759 -0.8759 -0.8185 -0.8185 -0.5246 -0.5246 3.7278 3.7278 4.4276 4.4276 5.7964 5.7964 5.9798 5.9798 6.0830 6.0830 6.5551 6.5551 9.0183 9.0183 9.7675 9.7675 10.0106 10.0106 10.0870 10.0870 k = 0.1259 0.2181 0.3010 ( 4312 PWs) bands (ev): -28.1837 -28.1837 -11.0040 -11.0040 -9.8861 -9.8861 -9.8450 -9.8450 -2.4326 -2.4326 -2.3436 -2.3436 -1.7071 -1.7071 -1.6724 -1.6724 -1.6025 -1.6025 -1.3875 -1.3875 -1.0404 -1.0404 -1.0116 -1.0116 -0.9732 -0.9732 -0.8730 -0.8730 -0.8242 -0.8242 -0.5479 -0.5479 3.7549 3.7549 4.5542 4.5542 5.8186 5.8186 6.0093 6.0093 6.1341 6.1341 6.5994 6.5994 9.0190 9.0190 9.8196 9.8196 9.9923 9.9923 10.0162 10.0162 k = 0.1185 0.2053 0.3010 ( 4316 PWs) bands (ev): -28.1838 -28.1838 -11.0033 -11.0033 -9.8857 -9.8857 -9.8431 -9.8431 -2.4394 -2.4394 -2.3477 -2.3477 -1.7091 -1.7091 -1.6724 -1.6724 -1.6143 -1.6143 -1.3958 -1.3958 -1.0421 -1.0421 -1.0187 -1.0187 -0.9734 -0.9734 -0.8702 -0.8702 -0.8291 -0.8291 -0.5701 -0.5701 3.7797 3.7797 4.6836 4.6836 5.8319 5.8319 6.0305 6.0305 6.2062 6.2062 6.6403 6.6403 9.0122 9.0122 9.8496 9.8496 9.9577 9.9577 9.9979 9.9979 k = 0.1111 0.1925 0.3010 ( 4306 PWs) bands (ev): -28.1839 -28.1839 -11.0025 -11.0025 -9.8854 -9.8854 -9.8412 -9.8412 -2.4463 -2.4463 -2.3519 -2.3519 -1.7112 -1.7112 -1.6725 -1.6725 -1.6258 -1.6258 -1.4038 -1.4038 -1.0437 -1.0437 -1.0251 -1.0251 -0.9738 -0.9738 -0.8676 -0.8676 -0.8333 -0.8333 -0.5909 -0.5909 3.8020 3.8020 4.8148 4.8148 5.8357 5.8357 6.0597 6.0597 6.2842 6.2842 6.6777 6.6777 8.9960 8.9960 9.8100 9.8100 9.9745 9.9745 10.0122 10.0122 k = 0.1037 0.1796 0.3010 ( 4310 PWs) bands (ev): -28.1840 -28.1840 -11.0017 -11.0017 -9.8851 -9.8851 -9.8394 -9.8394 -2.4531 -2.4531 -2.3561 -2.3561 -1.7132 -1.7132 -1.6728 -1.6728 -1.6368 -1.6368 -1.4114 -1.4114 -1.0453 -1.0453 -1.0306 -1.0306 -0.9745 -0.9745 -0.8653 -0.8653 -0.8368 -0.8368 -0.6104 -0.6104 3.8221 3.8221 4.9468 4.9468 5.8332 5.8332 6.0988 6.0988 6.3631 6.3631 6.7116 6.7116 8.9689 8.9689 9.7381 9.7381 10.0163 10.0163 10.0481 10.0481 k = 0.0963 0.1668 0.3010 ( 4310 PWs) bands (ev): -28.1841 -28.1841 -11.0010 -11.0010 -9.8848 -9.8848 -9.8376 -9.8376 -2.4599 -2.4599 -2.3602 -2.3602 -1.7152 -1.7152 -1.6735 -1.6735 -1.6468 -1.6468 -1.4188 -1.4188 -1.0469 -1.0469 -1.0350 -1.0350 -0.9755 -0.9755 -0.8635 -0.8635 -0.8397 -0.8397 -0.6284 -0.6284 3.8399 3.8399 5.0779 5.0779 5.8293 5.8293 6.1454 6.1454 6.4412 6.4412 6.7422 6.7422 8.9301 8.9301 9.6608 9.6608 10.0597 10.0597 10.0991 10.0991 k = 0.0889 0.1540 0.3010 ( 4306 PWs) bands (ev): -28.1842 -28.1842 -11.0003 -11.0003 -9.8846 -9.8846 -9.8358 -9.8358 -2.4665 -2.4665 -2.3644 -2.3644 -1.7172 -1.7172 -1.6756 -1.6756 -1.6548 -1.6548 -1.4257 -1.4257 -1.0487 -1.0487 -1.0382 -1.0382 -0.9768 -0.9768 -0.8624 -0.8624 -0.8416 -0.8416 -0.6448 -0.6448 3.8555 3.8555 5.2051 5.2051 5.8293 5.8293 6.1972 6.1972 6.5174 6.5174 6.7699 6.7699 8.8794 8.8794 9.5831 9.5831 10.1061 10.1061 10.1553 10.1553 k = 0.0815 0.1411 0.3010 ( 4306 PWs) bands (ev): -28.1843 -28.1843 -10.9997 -10.9997 -9.8844 -9.8844 -9.8342 -9.8342 -2.4729 -2.4729 -2.3685 -2.3685 -1.7191 -1.7191 -1.6800 -1.6800 -1.6597 -1.6597 -1.4322 -1.4322 -1.0507 -1.0507 -1.0401 -1.0401 -0.9784 -0.9784 -0.8624 -0.8624 -0.8425 -0.8425 -0.6597 -0.6597 3.8691 3.8691 5.3228 5.3228 5.8396 5.8396 6.2524 6.2524 6.5907 6.5907 6.7950 6.7950 8.8168 8.8168 9.5064 9.5064 10.1467 10.1467 10.2182 10.2182 k = 0.0741 0.1283 0.3010 ( 4302 PWs) bands (ev): -28.1844 -28.1844 -10.9991 -10.9991 -9.8843 -9.8843 -9.8326 -9.8326 -2.4790 -2.4790 -2.3724 -2.3724 -1.7209 -1.7209 -1.6865 -1.6865 -1.6619 -1.6619 -1.4383 -1.4383 -1.0529 -1.0529 -1.0410 -1.0410 -0.9805 -0.9805 -0.8633 -0.8633 -0.8424 -0.8424 -0.6729 -0.6729 3.8809 3.8809 5.4224 5.4224 5.8696 5.8696 6.3093 6.3093 6.6603 6.6603 6.8183 6.8183 8.7426 8.7426 9.4319 9.4319 10.1708 10.1708 10.2911 10.2911 k = 0.0667 0.1155 0.3010 ( 4310 PWs) bands (ev): -28.1845 -28.1845 -10.9985 -10.9985 -9.8841 -9.8841 -9.8311 -9.8311 -2.4848 -2.4848 -2.3762 -2.3762 -1.7226 -1.7226 -1.6937 -1.6937 -1.6625 -1.6625 -1.4440 -1.4440 -1.0550 -1.0550 -1.0410 -1.0410 -0.9829 -0.9829 -0.8649 -0.8649 -0.8417 -0.8417 -0.6846 -0.6846 3.8909 3.8909 5.4935 5.4935 5.9295 5.9295 6.3668 6.3668 6.7252 6.7252 6.8406 6.8406 8.6574 8.6574 9.3604 9.3604 10.1760 10.1760 10.3626 10.3626 k = 0.0593 0.1026 0.3010 ( 4306 PWs) bands (ev): -28.1846 -28.1846 -10.9980 -10.9980 -9.8840 -9.8840 -9.8297 -9.8297 -2.4901 -2.4901 -2.3798 -2.3798 -1.7242 -1.7242 -1.7007 -1.7007 -1.6624 -1.6624 -1.4491 -1.4491 -1.0569 -1.0569 -1.0404 -1.0404 -0.9858 -0.9858 -0.8669 -0.8669 -0.8405 -0.8405 -0.6948 -0.6948 3.8994 3.8994 5.5344 5.5344 6.0204 6.0204 6.4234 6.4234 6.7842 6.7842 6.8630 6.8630 8.5617 8.5617 9.2929 9.2929 10.1650 10.1650 10.3318 10.3318 k = 0.0519 0.0898 0.3010 ( 4294 PWs) bands (ev): -28.1846 -28.1846 -10.9976 -10.9976 -9.8839 -9.8839 -9.8285 -9.8285 -2.4949 -2.4949 -2.3832 -2.3832 -1.7256 -1.7256 -1.7071 -1.7071 -1.6621 -1.6621 -1.4538 -1.4538 -1.0585 -1.0585 -1.0392 -1.0392 -0.9890 -0.9890 -0.8690 -0.8690 -0.8392 -0.8392 -0.7035 -0.7035 3.9065 3.9065 5.5535 5.5535 6.1329 6.1329 6.4775 6.4775 6.8362 6.8362 6.8873 6.8873 8.4566 8.4566 9.2303 9.2303 10.1424 10.1424 10.2536 10.2536 k = 0.0444 0.0770 0.3010 ( 4294 PWs) bands (ev): -28.1847 -28.1847 -10.9972 -10.9972 -9.8839 -9.8839 -9.8273 -9.8273 -2.4992 -2.4992 -2.3862 -2.3862 -1.7268 -1.7268 -1.7127 -1.7127 -1.6616 -1.6616 -1.4579 -1.4579 -1.0599 -1.0599 -1.0374 -1.0374 -0.9926 -0.9926 -0.8710 -0.8710 -0.8380 -0.8380 -0.7107 -0.7107 3.9123 3.9123 5.5604 5.5604 6.2555 6.2555 6.5275 6.5275 6.8797 6.8797 6.9157 6.9157 8.3436 8.3436 9.1736 9.1736 10.1129 10.1129 10.1834 10.1834 k = 0.0370 0.0642 0.3010 ( 4290 PWs) bands (ev): -28.1848 -28.1848 -10.9968 -10.9968 -9.8838 -9.8838 -9.8264 -9.8264 -2.5029 -2.5029 -2.3889 -2.3889 -1.7279 -1.7279 -1.7176 -1.7176 -1.6611 -1.6611 -1.4614 -1.4614 -1.0610 -1.0610 -1.0352 -1.0352 -0.9965 -0.9965 -0.8728 -0.8728 -0.8369 -0.8369 -0.7167 -0.7167 3.9170 3.9170 5.5614 5.5614 6.3788 6.3788 6.5717 6.5717 6.9146 6.9146 6.9498 6.9498 8.2251 8.2251 9.1237 9.1237 10.0799 10.0799 10.1258 10.1258 k = 0.0296 0.0513 0.3010 ( 4282 PWs) bands (ev): -28.1848 -28.1848 -10.9966 -10.9966 -9.8838 -9.8838 -9.8256 -9.8256 -2.5060 -2.5060 -2.3911 -2.3911 -1.7288 -1.7288 -1.7216 -1.7216 -1.6606 -1.6606 -1.4644 -1.4644 -1.0619 -1.0619 -1.0326 -1.0326 -1.0006 -1.0006 -0.8743 -0.8743 -0.8359 -0.8359 -0.7214 -0.7214 3.9207 3.9207 5.5599 5.5599 6.4948 6.4948 6.6087 6.6087 6.9432 6.9432 6.9894 6.9894 8.1042 8.1042 9.0816 9.0816 10.0458 10.0458 10.0821 10.0821 k = 0.0222 0.0385 0.3010 ( 4284 PWs) bands (ev): -28.1848 -28.1848 -10.9963 -10.9963 -9.8837 -9.8837 -9.8250 -9.8250 -2.5085 -2.5085 -2.3929 -2.3929 -1.7295 -1.7295 -1.7247 -1.7247 -1.6602 -1.6602 -1.4667 -1.4667 -1.0626 -1.0626 -1.0296 -1.0296 -1.0048 -1.0048 -0.8755 -0.8755 -0.8351 -0.8351 -0.7250 -0.7250 3.9235 3.9235 5.5575 5.5575 6.5948 6.5948 6.6378 6.6378 6.9648 6.9648 7.0371 7.0371 7.9860 7.9860 9.0480 9.0480 10.0143 10.0143 10.0510 10.0510 k = 0.0148 0.0257 0.3010 ( 4276 PWs) bands (ev): -28.1848 -28.1848 -10.9962 -10.9962 -9.8837 -9.8837 -9.8245 -9.8245 -2.5102 -2.5102 -2.3942 -2.3942 -1.7301 -1.7301 -1.7269 -1.7269 -1.6599 -1.6599 -1.4683 -1.4683 -1.0631 -1.0631 -1.0263 -1.0263 -1.0090 -1.0090 -0.8764 -0.8764 -0.8346 -0.8346 -0.7275 -0.7275 3.9254 3.9254 5.5552 5.5552 6.6553 6.6553 6.6738 6.6738 6.9786 6.9786 7.0921 7.0921 7.8789 7.8789 9.0236 9.0236 9.9898 9.9898 10.0297 10.0297 k = 0.0074 0.0128 0.3010 ( 4268 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8837 -9.8837 -9.8242 -9.8242 -2.5113 -2.5113 -2.3950 -2.3950 -1.7304 -1.7304 -1.7283 -1.7283 -1.6597 -1.6597 -1.4693 -1.4693 -1.0633 -1.0633 -1.0229 -1.0229 -1.0129 -1.0129 -0.8769 -0.8769 -0.8342 -0.8342 -0.7290 -0.7290 3.9265 3.9265 5.5537 5.5537 6.6682 6.6682 6.7197 6.7197 6.9857 6.9857 7.1423 7.1423 7.7983 7.7983 9.0087 9.0087 9.9746 9.9746 10.0171 10.0171 k = 0.0000 0.0000 0.3010 ( 4254 PWs) bands (ev): -28.1849 -28.1849 -10.9961 -10.9961 -9.8837 -9.8837 -9.8241 -9.8241 -2.5116 -2.5116 -2.3953 -2.3953 -1.7304 -1.7304 -1.7287 -1.7287 -1.6596 -1.6596 -1.4696 -1.4696 -1.0634 -1.0634 -1.0208 -1.0208 -1.0151 -1.0151 -0.8771 -0.8771 -0.8341 -0.8341 -0.7295 -0.7295 3.9269 3.9269 5.5532 5.5532 6.6722 6.6722 6.7353 6.7353 6.9877 6.9877 7.1639 7.1639 7.7668 7.7668 9.0038 9.0038 9.9694 9.9694 10.0128 10.0128 k = 0.5000 0.2887 0.3010 ( 4316 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3353 -2.3353 -2.3268 -2.3268 -1.6742 -1.6742 -1.6663 -1.6663 -1.4479 -1.4479 -1.2721 -1.2721 -1.0080 -1.0080 -1.0061 -1.0061 -0.9494 -0.9494 -0.8573 -0.8573 -0.3907 -0.3907 -0.2161 -0.2161 2.8389 2.8389 2.8988 2.8988 5.2526 5.2526 5.4707 5.4707 6.3815 6.3815 6.7812 6.7812 8.6296 8.6296 8.9261 8.9261 9.0375 9.0375 9.5007 9.5007 k = 0.5000 0.2887 0.2867 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3361 -2.3361 -2.3260 -2.3260 -1.6742 -1.6742 -1.6663 -1.6663 -1.4479 -1.4479 -1.2721 -1.2721 -1.0081 -1.0081 -1.0061 -1.0061 -0.9494 -0.9494 -0.8573 -0.8573 -0.3906 -0.3906 -0.2162 -0.2162 2.8320 2.8320 2.9078 2.9078 5.2511 5.2511 5.4705 5.4705 6.3781 6.3781 6.7765 6.7765 8.6283 8.6283 8.9182 8.9182 9.0483 9.0483 9.5159 9.5159 k = 0.5000 0.2887 0.2723 ( 4338 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3381 -2.3381 -2.3242 -2.3242 -1.6743 -1.6743 -1.6663 -1.6663 -1.4476 -1.4476 -1.2723 -1.2723 -1.0082 -1.0082 -1.0059 -1.0059 -0.9493 -0.9493 -0.8574 -0.8574 -0.3903 -0.3903 -0.2168 -0.2168 2.8177 2.8177 2.9282 2.9282 5.2466 5.2466 5.4702 5.4702 6.3680 6.3680 6.7628 6.7628 8.6232 8.6232 8.9010 8.9010 9.0775 9.0775 9.5587 9.5587 k = 0.5000 0.2887 0.2580 ( 4338 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3405 -2.3405 -2.3221 -2.3221 -1.6744 -1.6744 -1.6662 -1.6662 -1.4473 -1.4473 -1.2725 -1.2725 -1.0085 -1.0085 -1.0057 -1.0057 -0.9491 -0.9491 -0.8574 -0.8574 -0.3898 -0.3898 -0.2176 -0.2176 2.8024 2.8024 2.9538 2.9538 5.2389 5.2389 5.4699 5.4699 6.3508 6.3508 6.7414 6.7414 8.6117 8.6117 8.8856 8.8856 9.1214 9.1214 9.6232 9.6232 k = 0.5000 0.2887 0.2437 ( 4346 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3431 -2.3431 -2.3199 -2.3199 -1.6745 -1.6745 -1.6661 -1.6661 -1.4468 -1.4468 -1.2728 -1.2728 -1.0087 -1.0087 -1.0055 -1.0055 -0.9488 -0.9488 -0.8575 -0.8575 -0.3891 -0.3891 -0.2188 -0.2188 2.7879 2.7879 2.9825 2.9825 5.2280 5.2280 5.4702 5.4702 6.3261 6.3261 6.7141 6.7141 8.5907 8.5907 8.8809 8.8809 9.1781 9.1781 9.7033 9.7033 k = 0.5000 0.2887 0.2293 ( 4344 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3457 -2.3457 -2.3177 -2.3177 -1.6747 -1.6747 -1.6660 -1.6660 -1.4462 -1.4462 -1.2732 -1.2732 -1.0090 -1.0090 -1.0052 -1.0052 -0.9484 -0.9484 -0.8575 -0.8575 -0.3883 -0.3883 -0.2203 -0.2203 2.7748 2.7748 3.0135 3.0135 5.2137 5.2137 5.4715 5.4715 6.2938 6.2938 6.6830 6.6830 8.5601 8.5601 8.8905 8.8905 9.2457 9.2457 9.7947 9.7947 k = 0.5000 0.2887 0.2150 ( 4332 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3484 -2.3484 -2.3155 -2.3155 -1.6748 -1.6748 -1.6658 -1.6658 -1.4454 -1.4454 -1.2736 -1.2736 -1.0092 -1.0092 -1.0049 -1.0049 -0.9480 -0.9480 -0.8576 -0.8576 -0.3872 -0.3872 -0.2221 -0.2221 2.7634 2.7634 3.0463 3.0463 5.1963 5.1963 5.4741 5.4741 6.2538 6.2538 6.6501 6.6501 8.5225 8.5225 8.9142 8.9142 9.3222 9.3222 9.8941 9.8941 k = 0.5000 0.2887 0.2007 ( 4322 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3510 -2.3510 -2.3135 -2.3135 -1.6750 -1.6750 -1.6657 -1.6657 -1.4446 -1.4446 -1.2741 -1.2741 -1.0094 -1.0094 -1.0047 -1.0047 -0.9475 -0.9475 -0.8577 -0.8577 -0.3860 -0.3860 -0.2241 -0.2241 2.7537 2.7537 3.0806 3.0806 5.1761 5.1761 5.4782 5.4782 6.2064 6.2064 6.6172 6.6172 8.4812 8.4812 8.9493 8.9493 9.4057 9.4057 9.9992 9.9992 k = 0.5000 0.2887 0.1863 ( 4306 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3536 -2.3536 -2.3116 -2.3116 -1.6751 -1.6751 -1.6655 -1.6655 -1.4437 -1.4437 -1.2746 -1.2746 -1.0096 -1.0096 -1.0044 -1.0044 -0.9470 -0.9470 -0.8577 -0.8577 -0.3847 -0.3847 -0.2263 -0.2263 2.7455 2.7455 3.1160 3.1160 5.1536 5.1536 5.4838 5.4838 6.1527 6.1527 6.5850 6.5850 8.4390 8.4390 8.9938 8.9938 9.4939 9.4939 10.1084 10.1084 k = 0.5000 0.2887 0.1720 ( 4306 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3561 -2.3561 -2.3098 -2.3098 -1.6753 -1.6753 -1.6653 -1.6653 -1.4427 -1.4427 -1.2752 -1.2752 -1.0098 -1.0098 -1.0042 -1.0042 -0.9464 -0.9464 -0.8578 -0.8578 -0.3833 -0.3833 -0.2288 -0.2288 2.7389 2.7389 3.1524 3.1524 5.1295 5.1295 5.4907 5.4907 6.0939 6.0939 6.5544 6.5544 8.3976 8.3976 9.0457 9.0457 9.5844 9.5844 10.2204 10.2204 k = 0.5000 0.2887 0.1577 ( 4322 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3584 -2.3584 -2.3081 -2.3081 -1.6756 -1.6756 -1.6652 -1.6652 -1.4418 -1.4418 -1.2758 -1.2758 -1.0100 -1.0100 -1.0040 -1.0040 -0.9459 -0.9459 -0.8579 -0.8579 -0.3817 -0.3817 -0.2313 -0.2313 2.7337 2.7337 3.1891 3.1891 5.1044 5.1044 5.4989 5.4989 6.0316 6.0316 6.5253 6.5253 8.3580 8.3580 9.1037 9.1037 9.6746 9.6746 10.3342 10.3342 k = 0.5000 0.2887 0.1433 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3607 -2.3607 -2.3066 -2.3066 -1.6758 -1.6758 -1.6650 -1.6650 -1.4408 -1.4408 -1.2765 -1.2765 -1.0101 -1.0101 -1.0038 -1.0038 -0.9453 -0.9453 -0.8580 -0.8580 -0.3801 -0.3801 -0.2339 -0.2339 2.7297 2.7297 3.2259 3.2259 5.0792 5.0792 5.5081 5.5081 5.9676 5.9676 6.4978 6.4978 8.3211 8.3211 9.1667 9.1667 9.7614 9.7614 10.4492 10.4492 k = 0.5000 0.2887 0.1290 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3627 -2.3627 -2.3053 -2.3053 -1.6760 -1.6760 -1.6648 -1.6648 -1.4398 -1.4398 -1.2771 -1.2771 -1.0103 -1.0103 -1.0037 -1.0037 -0.9447 -0.9447 -0.8581 -0.8581 -0.3785 -0.3785 -0.2366 -0.2366 2.7268 2.7268 3.2621 3.2621 5.0544 5.0544 5.5179 5.5179 5.9034 5.9034 6.4721 6.4721 8.2871 8.2871 9.2337 9.2337 9.8417 9.8417 10.5654 10.5654 k = 0.5000 0.2887 0.1147 ( 4330 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3646 -2.3646 -2.3040 -2.3040 -1.6761 -1.6761 -1.6647 -1.6647 -1.4388 -1.4388 -1.2777 -1.2777 -1.0104 -1.0104 -1.0035 -1.0035 -0.9442 -0.9442 -0.8582 -0.8582 -0.3769 -0.3769 -0.2392 -0.2392 2.7248 2.7248 3.2973 3.2973 5.0307 5.0307 5.5281 5.5281 5.8407 5.8407 6.4480 6.4480 8.2564 8.2564 9.3038 9.3038 9.9118 9.9118 10.6830 10.6830 k = 0.5000 0.2887 0.1003 ( 4330 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3664 -2.3664 -2.3030 -2.3030 -1.6763 -1.6763 -1.6645 -1.6645 -1.4379 -1.4379 -1.2782 -1.2782 -1.0105 -1.0105 -1.0034 -1.0034 -0.9437 -0.9437 -0.8583 -0.8583 -0.3752 -0.3752 -0.2418 -0.2418 2.7236 2.7236 3.3308 3.3308 5.0088 5.0088 5.5383 5.5383 5.7810 5.7810 6.4259 6.4259 8.2292 8.2292 9.3760 9.3760 9.9683 9.9683 10.8027 10.8028 k = 0.5000 0.2887 0.0860 ( 4320 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3679 -2.3679 -2.3020 -2.3020 -1.6765 -1.6765 -1.6644 -1.6644 -1.4370 -1.4370 -1.2787 -1.2787 -1.0105 -1.0105 -1.0033 -1.0033 -0.9432 -0.9432 -0.8584 -0.8584 -0.3737 -0.3737 -0.2441 -0.2441 2.7230 2.7230 3.3620 3.3620 4.9890 4.9890 5.5480 5.5480 5.7256 5.7256 6.4058 6.4058 8.2054 8.2054 9.4495 9.4495 10.0086 10.0086 10.9255 10.9255 k = 0.5000 0.2887 0.0717 ( 4332 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3692 -2.3692 -2.3013 -2.3013 -1.6766 -1.6766 -1.6643 -1.6643 -1.4363 -1.4363 -1.2792 -1.2792 -1.0106 -1.0106 -1.0033 -1.0033 -0.9427 -0.9427 -0.8585 -0.8585 -0.3723 -0.3723 -0.2463 -0.2463 2.7228 2.7228 3.3900 3.3900 4.9718 4.9718 5.5570 5.5570 5.6761 5.6761 6.3880 6.3880 8.1853 8.1853 9.5232 9.5232 10.0312 10.0312 11.0517 11.0517 k = 0.5000 0.2887 0.0573 ( 4324 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3703 -2.3703 -2.3006 -2.3006 -1.6767 -1.6767 -1.6642 -1.6642 -1.4357 -1.4357 -1.2795 -1.2795 -1.0106 -1.0106 -1.0032 -1.0032 -0.9424 -0.9424 -0.8586 -0.8586 -0.3711 -0.3711 -0.2481 -0.2481 2.7229 2.7229 3.4142 3.4142 4.9575 4.9575 5.5645 5.5645 5.6338 5.6338 6.3729 6.3729 8.1688 8.1688 9.5957 9.5957 10.0363 10.0363 11.1814 11.1814 k = 0.5000 0.2887 0.0430 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3711 -2.3711 -2.3001 -2.3001 -1.6768 -1.6768 -1.6641 -1.6641 -1.4352 -1.4352 -1.2799 -1.2799 -1.0106 -1.0106 -1.0032 -1.0032 -0.9421 -0.9421 -0.8586 -0.8586 -0.3701 -0.3701 -0.2497 -0.2497 2.7231 2.7231 3.4339 3.4339 4.9463 4.9463 5.5688 5.5688 5.6014 5.6014 6.3607 6.3607 8.1559 8.1559 9.6652 9.6652 10.0257 10.0257 11.3132 11.3132 k = 0.5000 0.2887 0.0287 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3718 -2.3718 -2.2998 -2.2998 -1.6768 -1.6768 -1.6641 -1.6641 -1.4348 -1.4348 -1.2801 -1.2801 -1.0107 -1.0107 -1.0031 -1.0031 -0.9419 -0.9419 -0.8587 -0.8587 -0.3693 -0.3693 -0.2508 -0.2508 2.7233 2.7233 3.4485 3.4485 4.9382 4.9382 5.5633 5.5633 5.5863 5.5863 6.3517 6.3517 8.1467 8.1467 9.7287 9.7287 10.0033 10.0033 11.4434 11.4434 k = 0.5000 0.2887 0.0143 ( 4326 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3721 -2.3721 -2.2996 -2.2996 -1.6769 -1.6769 -1.6641 -1.6641 -1.4346 -1.4346 -1.2802 -1.2802 -1.0107 -1.0107 -1.0031 -1.0031 -0.9418 -0.9418 -0.8587 -0.8587 -0.3689 -0.3689 -0.2515 -0.2515 2.7235 2.7235 3.4575 3.4575 4.9334 4.9334 5.5516 5.5516 5.5854 5.5854 6.3463 6.3463 8.1412 8.1412 9.7793 9.7793 9.9768 9.9768 11.5603 11.5603 k = 0.5000 0.2887-0.0000 ( 4332 PWs) bands (ev): -28.1819 -28.1819 -11.0167 -11.0167 -9.9034 -9.9034 -9.8603 -9.8603 -2.3722 -2.3722 -2.2995 -2.2995 -1.6769 -1.6769 -1.6641 -1.6641 -1.4345 -1.4345 -1.2803 -1.2803 -1.0107 -1.0107 -1.0031 -1.0031 -0.9417 -0.9417 -0.8587 -0.8587 -0.3687 -0.3687 -0.2517 -0.2517 2.7235 2.7235 3.4605 3.4605 4.9318 4.9318 5.5469 5.5469 5.5859 5.5859 6.3444 6.3444 8.1394 8.1394 9.8012 9.8012 9.9629 9.9629 11.6184 11.6184 k = 0.3333 0.5774-0.0000 ( 4359 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3782 -2.3782 -2.2571 -2.2571 -1.6901 -1.6901 -1.6425 -1.6425 -1.4996 -1.4996 -1.1962 -1.1962 -1.0076 -1.0076 -0.9645 -0.9645 -0.9308 -0.9308 -0.9085 -0.9085 -0.2583 -0.2583 -0.1222 -0.1222 3.0590 3.0590 3.2014 3.2014 3.9967 3.9967 5.4112 5.4112 5.4389 5.4389 5.7995 5.7995 9.7355 9.7355 10.0116 10.0116 10.1229 10.1229 11.1040 11.1040 k = 0.3333 0.5774 0.0143 ( 4359 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3781 -2.3781 -2.2570 -2.2570 -1.6901 -1.6901 -1.6425 -1.6425 -1.4997 -1.4997 -1.1963 -1.1963 -1.0076 -1.0076 -0.9645 -0.9645 -0.9308 -0.9308 -0.9085 -0.9085 -0.2584 -0.2584 -0.1223 -0.1223 3.0582 3.0582 3.2004 3.2004 3.9983 3.9983 5.4135 5.4135 5.4416 5.4416 5.7967 5.7967 9.7406 9.7406 10.0065 10.0065 10.1168 10.1168 11.1064 11.1064 k = 0.3333 0.5774 0.0287 ( 4362 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3780 -2.3780 -2.2569 -2.2569 -1.6901 -1.6901 -1.6425 -1.6425 -1.4997 -1.4997 -1.1963 -1.1963 -1.0075 -1.0075 -0.9646 -0.9646 -0.9309 -0.9309 -0.9085 -0.9085 -0.2586 -0.2586 -0.1224 -0.1224 3.0557 3.0557 3.1974 3.1974 4.0029 4.0029 5.4201 5.4201 5.4495 5.4495 5.7887 5.7887 9.7557 9.7557 9.9915 9.9915 10.0989 10.0989 11.1134 11.1134 k = 0.3333 0.5774 0.0430 ( 4365 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3779 -2.3779 -2.2567 -2.2567 -1.6900 -1.6900 -1.6425 -1.6425 -1.4998 -1.4998 -1.1965 -1.1965 -1.0075 -1.0075 -0.9647 -0.9647 -0.9310 -0.9310 -0.9086 -0.9086 -0.2589 -0.2589 -0.1226 -0.1226 3.0517 3.0517 3.1925 3.1925 4.0106 4.0106 5.4306 5.4306 5.4626 5.4626 5.7760 5.7760 9.7805 9.7805 9.9672 9.9672 10.0699 10.0699 11.1244 11.1244 k = 0.3333 0.5774 0.0573 ( 4359 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3776 -2.3776 -2.2564 -2.2564 -1.6900 -1.6900 -1.6425 -1.6425 -1.4999 -1.4999 -1.1966 -1.1966 -1.0074 -1.0074 -0.9649 -0.9649 -0.9311 -0.9311 -0.9087 -0.9087 -0.2594 -0.2594 -0.1229 -0.1229 3.0462 3.0462 3.1859 3.1859 4.0213 4.0213 5.4438 5.4438 5.4805 5.4805 5.7597 5.7597 9.8147 9.8147 9.9343 9.9343 10.0312 10.0312 11.1387 11.1387 k = 0.3333 0.5774 0.0717 ( 4347 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3773 -2.3773 -2.2560 -2.2560 -1.6899 -1.6899 -1.6424 -1.6424 -1.5001 -1.5001 -1.1968 -1.1968 -1.0072 -1.0072 -0.9651 -0.9651 -0.9313 -0.9313 -0.9088 -0.9088 -0.2599 -0.2599 -0.1233 -0.1233 3.0395 3.0395 3.1778 3.1778 4.0349 4.0349 5.4578 5.4578 5.5031 5.5031 5.7418 5.7418 9.8573 9.8573 9.8938 9.8938 9.9844 9.9844 11.1553 11.1553 k = 0.3333 0.5774 0.0860 ( 4335 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3770 -2.3770 -2.2555 -2.2555 -1.6898 -1.6898 -1.6423 -1.6423 -1.5003 -1.5003 -1.1971 -1.1971 -1.0071 -1.0071 -0.9653 -0.9653 -0.9315 -0.9315 -0.9090 -0.9090 -0.2605 -0.2605 -0.1238 -0.1238 3.0316 3.0316 3.1683 3.1683 4.0515 4.0515 5.4695 5.4695 5.5297 5.5297 5.7257 5.7257 9.8469 9.8469 9.9019 9.9019 9.9366 9.9366 11.1731 11.1731 k = 0.3333 0.5774 0.1003 ( 4332 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3766 -2.3766 -2.2550 -2.2550 -1.6898 -1.6898 -1.6423 -1.6423 -1.5005 -1.5005 -1.1973 -1.1973 -1.0069 -1.0069 -0.9656 -0.9656 -0.9317 -0.9317 -0.9092 -0.9092 -0.2612 -0.2612 -0.1243 -0.1243 3.0229 3.0229 3.1579 3.1579 4.0709 4.0709 5.4742 5.4742 5.5600 5.5600 5.7160 5.7160 9.7948 9.7948 9.8652 9.8652 9.9719 9.9719 11.1912 11.1912 k = 0.3333 0.5774 0.1147 ( 4329 PWs) bands (ev): -28.1815 -28.1815 -11.0189 -11.0189 -9.8865 -9.8865 -9.8849 -9.8849 -2.3761 -2.3761 -2.2544 -2.2544 -1.6897 -1.6897 -1.6422 -1.6422 -1.5007 -1.5007 -1.1976 -1.1976 -1.0067 -1.0067 -0.9659 -0.9659 -0.9319 -0.9319 -0.9093 -0.9093 -0.2620 -0.2620 -0.1249 -0.1249 3.0136 3.0136 3.1467 3.1467 4.0929 4.0929 5.4669 5.4669 5.5934 5.5934 5.7176 5.7176 9.7385 9.7385 9.8017 9.8017 10.0364 10.0364 11.2086 11.2086 k = 0.3333 0.5774 0.1290 ( 4332 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8865 -9.8865 -9.8849 -9.8849 -2.3757 -2.3757 -2.2538 -2.2538 -1.6896 -1.6896 -1.6422 -1.6422 -1.5009 -1.5009 -1.1979 -1.1979 -1.0065 -1.0065 -0.9663 -0.9663 -0.9322 -0.9322 -0.9095 -0.9095 -0.2629 -0.2629 -0.1255 -0.1255 3.0039 3.0039 3.1350 3.1350 4.1175 4.1175 5.4460 5.4460 5.6292 5.6292 5.7322 5.7322 9.6794 9.6794 9.7343 9.7343 10.1074 10.1074 11.2245 11.2245 k = 0.3333 0.5774 0.1433 ( 4326 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8865 -9.8865 -9.8849 -9.8849 -2.3752 -2.3752 -2.2532 -2.2532 -1.6895 -1.6895 -1.6421 -1.6421 -1.5012 -1.5012 -1.1983 -1.1983 -1.0063 -1.0063 -0.9666 -0.9666 -0.9324 -0.9324 -0.9097 -0.9097 -0.2637 -0.2637 -0.1261 -0.1261 2.9940 2.9940 3.1232 3.1232 4.1444 4.1444 5.4139 5.4139 5.6667 5.6667 5.7574 5.7574 9.6185 9.6185 9.6652 9.6652 10.1834 10.1834 11.2384 11.2384 k = 0.3333 0.5774 0.1577 ( 4341 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8865 -9.8865 -9.8849 -9.8849 -2.3747 -2.3747 -2.2526 -2.2526 -1.6895 -1.6895 -1.6420 -1.6420 -1.5015 -1.5015 -1.1987 -1.1987 -1.0061 -1.0061 -0.9670 -0.9670 -0.9327 -0.9327 -0.9099 -0.9099 -0.2646 -0.2646 -0.1268 -0.1268 2.9841 2.9841 3.1115 3.1115 4.1734 4.1734 5.3740 5.3740 5.7052 5.7052 5.7896 5.7896 9.5571 9.5571 9.5956 9.5956 10.2630 10.2630 11.2498 11.2498 k = 0.3333 0.5774 0.1720 ( 4335 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8865 -9.8865 -9.8849 -9.8849 -2.3742 -2.3742 -2.2519 -2.2519 -1.6894 -1.6894 -1.6419 -1.6419 -1.5017 -1.5017 -1.1990 -1.1990 -1.0058 -1.0058 -0.9674 -0.9674 -0.9330 -0.9330 -0.9101 -0.9101 -0.2655 -0.2655 -0.1274 -0.1274 2.9745 2.9745 3.1002 3.1002 4.2043 4.2043 5.3295 5.3295 5.7440 5.7440 5.8255 5.8255 9.4964 9.4964 9.5271 9.5271 10.3452 10.3452 11.2586 11.2586 k = 0.3333 0.5774 0.1863 ( 4347 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8865 -9.8865 -9.8849 -9.8849 -2.3738 -2.3738 -2.2513 -2.2513 -1.6893 -1.6893 -1.6419 -1.6419 -1.5020 -1.5020 -1.1993 -1.1993 -1.0056 -1.0056 -0.9678 -0.9678 -0.9333 -0.9333 -0.9103 -0.9103 -0.2663 -0.2663 -0.1280 -0.1280 2.9654 2.9654 3.0894 3.0894 4.2365 4.2365 5.2824 5.2824 5.7820 5.7820 5.8631 5.8631 9.4377 9.4377 9.4609 9.4609 10.4285 10.4285 11.2648 11.2648 k = 0.3333 0.5774 0.2007 ( 4329 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8865 -9.8865 -9.8849 -9.8849 -2.3733 -2.3733 -2.2508 -2.2508 -1.6892 -1.6892 -1.6418 -1.6418 -1.5022 -1.5022 -1.1996 -1.1996 -1.0054 -1.0054 -0.9681 -0.9681 -0.9335 -0.9335 -0.9105 -0.9105 -0.2671 -0.2671 -0.1286 -0.1286 2.9570 2.9570 3.0794 3.0794 4.2697 4.2697 5.2345 5.2345 5.8185 5.8185 5.9004 5.9004 9.3821 9.3821 9.3983 9.3983 10.5114 10.5114 11.2686 11.2686 k = 0.3333 0.5774 0.2150 ( 4329 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3729 -2.3729 -2.2502 -2.2502 -1.6891 -1.6891 -1.6417 -1.6417 -1.5024 -1.5024 -1.1999 -1.1999 -1.0052 -1.0052 -0.9685 -0.9685 -0.9337 -0.9337 -0.9107 -0.9107 -0.2679 -0.2679 -0.1291 -0.1291 2.9493 2.9493 3.0704 3.0704 4.3031 4.3031 5.1871 5.1871 5.8526 5.8526 5.9360 5.9360 9.3308 9.3308 9.3407 9.3407 10.5922 10.5922 11.2705 11.2705 k = 0.3333 0.5774 0.2293 ( 4335 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3726 -2.3726 -2.2498 -2.2498 -1.6891 -1.6891 -1.6417 -1.6417 -1.5026 -1.5026 -1.2002 -1.2002 -1.0050 -1.0050 -0.9688 -0.9688 -0.9339 -0.9339 -0.9108 -0.9108 -0.2685 -0.2685 -0.1296 -0.1296 2.9426 2.9426 3.0625 3.0625 4.3358 4.3358 5.1418 5.1418 5.8833 5.8833 5.9686 5.9686 9.2851 9.2851 9.2893 9.2893 10.6687 10.6687 11.2709 11.2710 k = 0.3333 0.5774 0.2437 ( 4341 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3723 -2.3723 -2.2494 -2.2494 -1.6890 -1.6890 -1.6417 -1.6417 -1.5028 -1.5028 -1.2004 -1.2004 -1.0048 -1.0048 -0.9690 -0.9690 -0.9341 -0.9341 -0.9109 -0.9109 -0.2691 -0.2691 -0.1300 -0.1300 2.9369 2.9369 3.0559 3.0559 4.3667 4.3667 5.1002 5.1002 5.9098 5.9098 5.9971 5.9971 9.2454 9.2454 9.2459 9.2459 10.7384 10.7384 11.2705 11.2705 k = 0.3333 0.5774 0.2580 ( 4347 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3720 -2.3720 -2.2491 -2.2491 -1.6890 -1.6890 -1.6416 -1.6416 -1.5029 -1.5029 -1.2006 -1.2006 -1.0047 -1.0047 -0.9692 -0.9692 -0.9342 -0.9342 -0.9110 -0.9110 -0.2695 -0.2695 -0.1303 -0.1303 2.9324 2.9324 3.0506 3.0506 4.3941 4.3941 5.0642 5.0642 5.9314 5.9314 6.0204 6.0204 9.2099 9.2099 9.2144 9.2144 10.7982 10.7982 11.2696 11.2696 k = 0.3333 0.5774 0.2723 ( 4353 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3718 -2.3718 -2.2488 -2.2488 -1.6890 -1.6890 -1.6416 -1.6416 -1.5030 -1.5030 -1.2007 -1.2007 -1.0046 -1.0046 -0.9694 -0.9694 -0.9343 -0.9343 -0.9111 -0.9111 -0.2698 -0.2698 -0.1305 -0.1305 2.9292 2.9292 3.0468 3.0468 4.4160 4.4160 5.0359 5.0359 5.9473 5.9473 6.0377 6.0377 9.1838 9.1838 9.1912 9.1912 10.8449 10.8449 11.2686 11.2686 k = 0.3333 0.5774 0.2867 ( 4362 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3717 -2.3717 -2.2487 -2.2487 -1.6890 -1.6890 -1.6416 -1.6416 -1.5031 -1.5031 -1.2008 -1.2008 -1.0046 -1.0046 -0.9695 -0.9695 -0.9344 -0.9344 -0.9112 -0.9112 -0.2700 -0.2700 -0.1307 -0.1307 2.9272 2.9272 3.0445 3.0445 4.4304 4.4304 5.0177 5.0177 5.9571 5.9571 6.0484 6.0484 9.1679 9.1679 9.1770 9.1770 10.8747 10.8747 11.2679 11.2679 k = 0.3333 0.5774 0.3010 ( 4344 PWs) bands (ev): -28.1815 -28.1815 -11.0188 -11.0188 -9.8864 -9.8864 -9.8849 -9.8849 -2.3717 -2.3717 -2.2486 -2.2486 -1.6889 -1.6889 -1.6416 -1.6416 -1.5031 -1.5031 -1.2008 -1.2008 -1.0045 -1.0045 -0.9695 -0.9695 -0.9344 -0.9344 -0.9112 -0.9112 -0.2701 -0.2701 -0.1307 -0.1307 2.9265 2.9265 3.0437 3.0437 4.4354 4.4354 5.0114 5.0114 5.9604 5.9604 6.0520 6.0520 9.1626 9.1626 9.1722 9.1722 10.8850 10.8850 11.2677 11.2677 Writing output data file SrxCdSbx2.save init_run : 1.00s CPU 1.58s WALL ( 1 calls) electrons : 234.08s CPU 238.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.06s CPU 0.24s WALL ( 1 calls) Called by electrons: c_bands : 234.07s CPU 238.07s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.24s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.08s WALL ( 286 calls) cegterg : 221.93s CPU 224.83s WALL ( 809 calls) Called by sum_band: Called by *egterg: h_psi : 106.83s CPU 108.49s WALL ( 14172 calls) s_psi : 9.47s CPU 9.49s WALL ( 14172 calls) g_psi : 0.37s CPU 0.35s WALL ( 13077 calls) cdiaghg : 89.41s CPU 90.25s WALL ( 13363 calls) cegterg:over : 8.65s CPU 8.79s WALL ( 13077 calls) cegterg:upda : 9.33s CPU 9.44s WALL ( 13077 calls) cegterg:last : 3.88s CPU 3.93s WALL ( 1667 calls) cdiaghg:chol : 5.10s CPU 5.18s WALL ( 13363 calls) cdiaghg:inve : 3.27s CPU 3.31s WALL ( 13363 calls) cdiaghg:para : 5.10s CPU 5.21s WALL ( 26726 calls) Called by h_psi: h_psi:vloc : 85.36s CPU 86.69s WALL ( 14172 calls) h_psi:vnl : 21.16s CPU 21.46s WALL ( 14172 calls) add_vuspsi : 10.92s CPU 11.06s WALL ( 14172 calls) General routines calbec : 10.22s CPU 10.36s WALL ( 14172 calls) fft : 0.05s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 71.15s CPU 72.09s WALL ( 1034600 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.20s WALL ( 572 calls) Parallel routines fft_scatter : 28.93s CPU 29.08s WALL ( 1034623 calls) PWSCF : 4m10.24s CPU 4m42.36s WALL This run was terminated on: 16:48:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=