Program PWSCF v.5.1.1 starts on 13Oct2015 at 22:17:53 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CaBiAu.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 20 6 2886 817 126 Max 49 21 7 2890 837 132 Sum 2299 1003 295 138637 39701 6159 bravais-lattice index = 14 lattice parameter (alat) = 8.8658 a.u. unit-cell volume = 940.8579 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.865838 celldm(2)= 1.000000 celldm(3)= 1.558956 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 1.558956 ) 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 0.641455 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /home/autes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Bi 5.00 208.98040 Bi( 1.00) Ca 10.00 40.07800 Ca( 1.00) Au 11.00 196.96660 Au( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7794782 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7794782 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7794782 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7794782 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7794782 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7794782 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0034602 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0034602 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0034602 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0034602 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0034602 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0034602 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0034602 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0034602 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0034602 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0034602 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0034602 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0034602 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0034602 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0034602 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0034602 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0034602 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0034602 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0034602 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0034602 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0034602 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0034602 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0034602 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0034602 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0034602 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0034602 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0034602 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0034602 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0034602 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0034602 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0034602 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0034602 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0034602 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0034602 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0034602 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0034602 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0034602 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0034602 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0034602 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034602 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034602 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0034602 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0034602 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0034602 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0034602 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0034602 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0034602 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0034602 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0034602 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0034602 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0034602 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0034602 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0034602 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0034602 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0034602 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0034602 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0034602 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0034602 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0034602 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0034602 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0034602 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0034602 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0034602 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034602 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034602 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0034602 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0034602 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0034602 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0034602 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0034602 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0034602 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0034602 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0034602 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0034602 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0034602 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0034602 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0034602 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0034602 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0034602 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0034602 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0034602 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0034602 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0034602 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0034602 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0034602 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0034602 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0034602 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0034602 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0034602 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0034602 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0034602 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0034602 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0034602 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0034602 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0034602 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0034602 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0034602 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0034602 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0034602 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0034602 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0034602 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0034602 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0034602 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0034602 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0034602 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0034602 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0034602 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0034602 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0034602 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 112) = ( 0.0000000 0.0000000 0.0145785), wk = 0.0034602 k( 113) = ( 0.0000000 0.0000000 0.0291570), wk = 0.0034602 k( 114) = ( 0.0000000 0.0000000 0.0437356), wk = 0.0034602 k( 115) = ( 0.0000000 0.0000000 0.0583141), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.0728926), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.0874711), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.1020496), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.1166281), wk = 0.0034602 k( 120) = ( 0.0000000 0.0000000 0.1312066), wk = 0.0034602 k( 121) = ( 0.0000000 0.0000000 0.1457852), wk = 0.0034602 k( 122) = ( 0.0000000 0.0000000 0.1603637), wk = 0.0034602 k( 123) = ( 0.0000000 0.0000000 0.1749422), wk = 0.0034602 k( 124) = ( 0.0000000 0.0000000 0.1895207), wk = 0.0034602 k( 125) = ( 0.0000000 0.0000000 0.2040992), wk = 0.0034602 k( 126) = ( 0.0000000 0.0000000 0.2186778), wk = 0.0034602 k( 127) = ( 0.0000000 0.0000000 0.2332563), wk = 0.0034602 k( 128) = ( 0.0000000 0.0000000 0.2478348), wk = 0.0034602 k( 129) = ( 0.0000000 0.0000000 0.2624133), wk = 0.0034602 k( 130) = ( 0.0000000 0.0000000 0.2769918), wk = 0.0034602 k( 131) = ( 0.0000000 0.0000000 0.2915703), wk = 0.0034602 k( 132) = ( 0.0000000 0.0000000 0.3061489), wk = 0.0034602 k( 133) = ( 0.0000000 0.0000000 0.3207274), wk = 0.0034602 k( 134) = ( 0.0000000 0.0000000 0.3207274), wk = 0.0034602 k( 135) = ( 0.0128205 0.0074019 0.3207274), wk = 0.0034602 k( 136) = ( 0.0256410 0.0148039 0.3207274), wk = 0.0034602 k( 137) = ( 0.0384615 0.0222058 0.3207274), wk = 0.0034602 k( 138) = ( 0.0512821 0.0296077 0.3207274), wk = 0.0034602 k( 139) = ( 0.0641026 0.0370096 0.3207274), wk = 0.0034602 k( 140) = ( 0.0769231 0.0444116 0.3207274), wk = 0.0034602 k( 141) = ( 0.0897436 0.0518135 0.3207274), wk = 0.0034602 k( 142) = ( 0.1025641 0.0592154 0.3207274), wk = 0.0034602 k( 143) = ( 0.1153846 0.0666173 0.3207274), wk = 0.0034602 k( 144) = ( 0.1282051 0.0740193 0.3207274), wk = 0.0034602 k( 145) = ( 0.1410256 0.0814212 0.3207274), wk = 0.0034602 k( 146) = ( 0.1538461 0.0888231 0.3207274), wk = 0.0034602 k( 147) = ( 0.1666667 0.0962250 0.3207274), wk = 0.0034602 k( 148) = ( 0.1794872 0.1036270 0.3207274), wk = 0.0034602 k( 149) = ( 0.1923077 0.1110289 0.3207274), wk = 0.0034602 k( 150) = ( 0.2051282 0.1184308 0.3207274), wk = 0.0034602 k( 151) = ( 0.2179487 0.1258328 0.3207274), wk = 0.0034602 k( 152) = ( 0.2307692 0.1332347 0.3207274), wk = 0.0034602 k( 153) = ( 0.2435897 0.1406366 0.3207274), wk = 0.0034602 k( 154) = ( 0.2564103 0.1480385 0.3207274), wk = 0.0034602 k( 155) = ( 0.2692308 0.1554405 0.3207274), wk = 0.0034602 k( 156) = ( 0.2820513 0.1628424 0.3207274), wk = 0.0034602 k( 157) = ( 0.2948718 0.1702443 0.3207274), wk = 0.0034602 k( 158) = ( 0.3076923 0.1776462 0.3207274), wk = 0.0034602 k( 159) = ( 0.3205128 0.1850482 0.3207274), wk = 0.0034602 k( 160) = ( 0.3333333 0.1924501 0.3207274), wk = 0.0034602 k( 161) = ( 0.3461538 0.1998520 0.3207274), wk = 0.0034602 k( 162) = ( 0.3589744 0.2072539 0.3207274), wk = 0.0034602 k( 163) = ( 0.3717949 0.2146559 0.3207274), wk = 0.0034602 k( 164) = ( 0.3846154 0.2220578 0.3207274), wk = 0.0034602 k( 165) = ( 0.3974359 0.2294597 0.3207274), wk = 0.0034602 k( 166) = ( 0.4102564 0.2368616 0.3207274), wk = 0.0034602 k( 167) = ( 0.4230769 0.2442636 0.3207274), wk = 0.0034602 k( 168) = ( 0.4358974 0.2516655 0.3207274), wk = 0.0034602 k( 169) = ( 0.4487179 0.2590674 0.3207274), wk = 0.0034602 k( 170) = ( 0.4615385 0.2664694 0.3207274), wk = 0.0034602 k( 171) = ( 0.4743590 0.2738713 0.3207274), wk = 0.0034602 k( 172) = ( 0.4871795 0.2812732 0.3207274), wk = 0.0034602 k( 173) = ( 0.5000000 0.2886751 0.3207274), wk = 0.0034602 k( 174) = ( 0.5000000 0.2886751 0.3207274), wk = 0.0034602 k( 175) = ( 0.4927536 0.3012262 0.3207274), wk = 0.0034602 k( 176) = ( 0.4855073 0.3137773 0.3207274), wk = 0.0034602 k( 177) = ( 0.4782609 0.3263284 0.3207274), wk = 0.0034602 k( 178) = ( 0.4710145 0.3388795 0.3207274), wk = 0.0034602 k( 179) = ( 0.4637681 0.3514306 0.3207274), wk = 0.0034602 k( 180) = ( 0.4565217 0.3639817 0.3207274), wk = 0.0034602 k( 181) = ( 0.4492754 0.3765328 0.3207274), wk = 0.0034602 k( 182) = ( 0.4420290 0.3890839 0.3207274), wk = 0.0034602 k( 183) = ( 0.4347826 0.4016350 0.3207274), wk = 0.0034602 k( 184) = ( 0.4275362 0.4141861 0.3207274), wk = 0.0034602 k( 185) = ( 0.4202899 0.4267372 0.3207274), wk = 0.0034602 k( 186) = ( 0.4130435 0.4392882 0.3207274), wk = 0.0034602 k( 187) = ( 0.4057971 0.4518393 0.3207274), wk = 0.0034602 k( 188) = ( 0.3985507 0.4643904 0.3207274), wk = 0.0034602 k( 189) = ( 0.3913044 0.4769415 0.3207274), wk = 0.0034602 k( 190) = ( 0.3840580 0.4894926 0.3207274), wk = 0.0034602 k( 191) = ( 0.3768116 0.5020437 0.3207274), wk = 0.0034602 k( 192) = ( 0.3695652 0.5145948 0.3207274), wk = 0.0034602 k( 193) = ( 0.3623188 0.5271459 0.3207274), wk = 0.0034602 k( 194) = ( 0.3550725 0.5396970 0.3207274), wk = 0.0034602 k( 195) = ( 0.3478261 0.5522481 0.3207274), wk = 0.0034602 k( 196) = ( 0.3405797 0.5647992 0.3207274), wk = 0.0034602 k( 197) = ( 0.3333333 0.5773503 0.3207274), wk = 0.0034602 k( 198) = ( 0.3333333 0.5773503 0.3207274), wk = 0.0034602 k( 199) = ( 0.3259259 0.5645203 0.3207274), wk = 0.0034602 k( 200) = ( 0.3185185 0.5516903 0.3207274), wk = 0.0034602 k( 201) = ( 0.3111111 0.5388602 0.3207274), wk = 0.0034602 k( 202) = ( 0.3037037 0.5260302 0.3207274), wk = 0.0034602 k( 203) = ( 0.2962963 0.5132002 0.3207274), wk = 0.0034602 k( 204) = ( 0.2888889 0.5003702 0.3207274), wk = 0.0034602 k( 205) = ( 0.2814815 0.4875402 0.3207274), wk = 0.0034602 k( 206) = ( 0.2740741 0.4747102 0.3207274), wk = 0.0034602 k( 207) = ( 0.2666667 0.4618802 0.3207274), wk = 0.0034602 k( 208) = ( 0.2592593 0.4490502 0.3207274), wk = 0.0034602 k( 209) = ( 0.2518518 0.4362202 0.3207274), wk = 0.0034602 k( 210) = ( 0.2444444 0.4233902 0.3207274), wk = 0.0034602 k( 211) = ( 0.2370370 0.4105602 0.3207274), wk = 0.0034602 k( 212) = ( 0.2296296 0.3977302 0.3207274), wk = 0.0034602 k( 213) = ( 0.2222222 0.3849002 0.3207274), wk = 0.0034602 k( 214) = ( 0.2148148 0.3720702 0.3207274), wk = 0.0034602 k( 215) = ( 0.2074074 0.3592402 0.3207274), wk = 0.0034602 k( 216) = ( 0.2000000 0.3464102 0.3207274), wk = 0.0034602 k( 217) = ( 0.1925926 0.3335802 0.3207274), wk = 0.0034602 k( 218) = ( 0.1851852 0.3207502 0.3207274), wk = 0.0034602 k( 219) = ( 0.1777778 0.3079201 0.3207274), wk = 0.0034602 k( 220) = ( 0.1703704 0.2950901 0.3207274), wk = 0.0034602 k( 221) = ( 0.1629630 0.2822601 0.3207274), wk = 0.0034602 k( 222) = ( 0.1555556 0.2694301 0.3207274), wk = 0.0034602 k( 223) = ( 0.1481482 0.2566001 0.3207274), wk = 0.0034602 k( 224) = ( 0.1407407 0.2437701 0.3207274), wk = 0.0034602 k( 225) = ( 0.1333333 0.2309401 0.3207274), wk = 0.0034602 k( 226) = ( 0.1259259 0.2181101 0.3207274), wk = 0.0034602 k( 227) = ( 0.1185185 0.2052801 0.3207274), wk = 0.0034602 k( 228) = ( 0.1111111 0.1924501 0.3207274), wk = 0.0034602 k( 229) = ( 0.1037037 0.1796201 0.3207274), wk = 0.0034602 k( 230) = ( 0.0962963 0.1667901 0.3207274), wk = 0.0034602 k( 231) = ( 0.0888889 0.1539601 0.3207274), wk = 0.0034602 k( 232) = ( 0.0814815 0.1411301 0.3207274), wk = 0.0034602 k( 233) = ( 0.0740741 0.1283001 0.3207274), wk = 0.0034602 k( 234) = ( 0.0666667 0.1154701 0.3207274), wk = 0.0034602 k( 235) = ( 0.0592593 0.1026400 0.3207274), wk = 0.0034602 k( 236) = ( 0.0518518 0.0898100 0.3207274), wk = 0.0034602 k( 237) = ( 0.0444444 0.0769800 0.3207274), wk = 0.0034602 k( 238) = ( 0.0370370 0.0641500 0.3207274), wk = 0.0034602 k( 239) = ( 0.0296296 0.0513200 0.3207274), wk = 0.0034602 k( 240) = ( 0.0222222 0.0384900 0.3207274), wk = 0.0034602 k( 241) = ( 0.0148148 0.0256600 0.3207274), wk = 0.0034602 k( 242) = ( 0.0074074 0.0128300 0.3207274), wk = 0.0034602 k( 243) = ( 0.0000000 0.0000000 0.3207274), wk = 0.0034602 k( 244) = ( 0.5000000 0.2886751 0.3207274), wk = 0.0034602 k( 245) = ( 0.5000000 0.2886751 0.3061489), wk = 0.0034602 k( 246) = ( 0.5000000 0.2886751 0.2915703), wk = 0.0034602 k( 247) = ( 0.5000000 0.2886751 0.2769918), wk = 0.0034602 k( 248) = ( 0.5000000 0.2886751 0.2624133), wk = 0.0034602 k( 249) = ( 0.5000000 0.2886751 0.2478348), wk = 0.0034602 k( 250) = ( 0.5000000 0.2886751 0.2332563), wk = 0.0034602 k( 251) = ( 0.5000000 0.2886751 0.2186778), wk = 0.0034602 k( 252) = ( 0.5000000 0.2886751 0.2040992), wk = 0.0034602 k( 253) = ( 0.5000000 0.2886751 0.1895207), wk = 0.0034602 k( 254) = ( 0.5000000 0.2886751 0.1749422), wk = 0.0034602 k( 255) = ( 0.5000000 0.2886751 0.1603637), wk = 0.0034602 k( 256) = ( 0.5000000 0.2886751 0.1457852), wk = 0.0034602 k( 257) = ( 0.5000000 0.2886751 0.1312066), wk = 0.0034602 k( 258) = ( 0.5000000 0.2886751 0.1166281), wk = 0.0034602 k( 259) = ( 0.5000000 0.2886751 0.1020496), wk = 0.0034602 k( 260) = ( 0.5000000 0.2886751 0.0874711), wk = 0.0034602 k( 261) = ( 0.5000000 0.2886751 0.0728926), wk = 0.0034602 k( 262) = ( 0.5000000 0.2886751 0.0583141), wk = 0.0034602 k( 263) = ( 0.5000000 0.2886751 0.0437356), wk = 0.0034602 k( 264) = ( 0.5000000 0.2886751 0.0291570), wk = 0.0034602 k( 265) = ( 0.5000000 0.2886751 0.0145785), wk = 0.0034602 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034602 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034602 k( 268) = ( 0.3333333 0.5773503 0.0145785), wk = 0.0034602 k( 269) = ( 0.3333333 0.5773503 0.0291570), wk = 0.0034602 k( 270) = ( 0.3333333 0.5773503 0.0437356), wk = 0.0034602 k( 271) = ( 0.3333333 0.5773503 0.0583141), wk = 0.0034602 k( 272) = ( 0.3333333 0.5773503 0.0728926), wk = 0.0034602 k( 273) = ( 0.3333333 0.5773503 0.0874711), wk = 0.0034602 k( 274) = ( 0.3333333 0.5773503 0.1020496), wk = 0.0034602 k( 275) = ( 0.3333333 0.5773503 0.1166281), wk = 0.0034602 k( 276) = ( 0.3333333 0.5773503 0.1312066), wk = 0.0034602 k( 277) = ( 0.3333333 0.5773503 0.1457852), wk = 0.0034602 k( 278) = ( 0.3333333 0.5773503 0.1603637), wk = 0.0034602 k( 279) = ( 0.3333333 0.5773503 0.1749422), wk = 0.0034602 k( 280) = ( 0.3333333 0.5773503 0.1895207), wk = 0.0034602 k( 281) = ( 0.3333333 0.5773503 0.2040992), wk = 0.0034602 k( 282) = ( 0.3333333 0.5773503 0.2186778), wk = 0.0034602 k( 283) = ( 0.3333333 0.5773503 0.2332563), wk = 0.0034602 k( 284) = ( 0.3333333 0.5773503 0.2478348), wk = 0.0034602 k( 285) = ( 0.3333333 0.5773503 0.2624133), wk = 0.0034602 k( 286) = ( 0.3333333 0.5773503 0.2769918), wk = 0.0034602 k( 287) = ( 0.3333333 0.5773503 0.2915703), wk = 0.0034602 k( 288) = ( 0.3333333 0.5773503 0.3061489), wk = 0.0034602 k( 289) = ( 0.3333333 0.5773503 0.3207274), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0034602 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0034602 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0034602 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0034602 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0034602 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0034602 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0034602 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0034602 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0034602 k( 11) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0034602 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0034602 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0034602 k( 14) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034602 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0034602 k( 16) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0034602 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0034602 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0034602 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0034602 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0034602 k( 21) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0034602 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0034602 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0034602 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0034602 k( 25) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0034602 k( 26) = ( 0.3205128 0.0000000 -0.0000000), wk = 0.0034602 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034602 k( 28) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0034602 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0034602 k( 30) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0034602 k( 31) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0034602 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0034602 k( 33) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0034602 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0034602 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0034602 k( 36) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0034602 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0034602 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0034602 k( 39) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0034602 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 42) = ( 0.4927536 0.0144927 0.0000000), wk = 0.0034602 k( 43) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0034602 k( 44) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0034602 k( 45) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0034602 k( 46) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0034602 k( 47) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0034602 k( 48) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0034602 k( 49) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0034602 k( 50) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0034602 k( 51) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0034602 k( 52) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0034602 k( 53) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0034602 k( 54) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0034602 k( 55) = ( 0.3985507 0.2028986 0.0000000), wk = 0.0034602 k( 56) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0034602 k( 57) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0034602 k( 58) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0034602 k( 59) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0034602 k( 60) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0034602 k( 61) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0034602 k( 62) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0034602 k( 63) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0034602 k( 64) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034602 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034602 k( 66) = ( 0.3259259 0.3259259 0.0000000), wk = 0.0034602 k( 67) = ( 0.3185185 0.3185185 -0.0000000), wk = 0.0034602 k( 68) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0034602 k( 69) = ( 0.3037037 0.3037037 0.0000000), wk = 0.0034602 k( 70) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0034602 k( 71) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0034602 k( 72) = ( 0.2814815 0.2814815 0.0000000), wk = 0.0034602 k( 73) = ( 0.2740741 0.2740741 0.0000000), wk = 0.0034602 k( 74) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0034602 k( 75) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0034602 k( 76) = ( 0.2518518 0.2518518 0.0000000), wk = 0.0034602 k( 77) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0034602 k( 78) = ( 0.2370370 0.2370370 0.0000000), wk = 0.0034602 k( 79) = ( 0.2296296 0.2296296 0.0000000), wk = 0.0034602 k( 80) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0034602 k( 81) = ( 0.2148148 0.2148148 0.0000000), wk = 0.0034602 k( 82) = ( 0.2074074 0.2074074 0.0000000), wk = 0.0034602 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0034602 k( 84) = ( 0.1925926 0.1925926 0.0000000), wk = 0.0034602 k( 85) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0034602 k( 86) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0034602 k( 87) = ( 0.1703704 0.1703704 0.0000000), wk = 0.0034602 k( 88) = ( 0.1629630 0.1629630 0.0000000), wk = 0.0034602 k( 89) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0034602 k( 90) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0034602 k( 91) = ( 0.1407407 0.1407407 0.0000000), wk = 0.0034602 k( 92) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0034602 k( 93) = ( 0.1259259 0.1259259 0.0000000), wk = 0.0034602 k( 94) = ( 0.1185185 0.1185185 0.0000000), wk = 0.0034602 k( 95) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0034602 k( 96) = ( 0.1037037 0.1037037 0.0000000), wk = 0.0034602 k( 97) = ( 0.0962963 0.0962963 -0.0000000), wk = 0.0034602 k( 98) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0034602 k( 99) = ( 0.0814815 0.0814815 0.0000000), wk = 0.0034602 k( 100) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0034602 k( 101) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0034602 k( 102) = ( 0.0592593 0.0592593 0.0000000), wk = 0.0034602 k( 103) = ( 0.0518518 0.0518519 0.0000000), wk = 0.0034602 k( 104) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0034602 k( 105) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0034602 k( 106) = ( 0.0296296 0.0296296 0.0000000), wk = 0.0034602 k( 107) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0034602 k( 108) = ( 0.0148148 0.0148148 0.0000000), wk = 0.0034602 k( 109) = ( 0.0074074 0.0074074 0.0000000), wk = 0.0034602 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 112) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0034602 k( 113) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0034602 k( 114) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0034602 k( 115) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0034602 k( 120) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0034602 k( 121) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0034602 k( 122) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034602 k( 123) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0034602 k( 124) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0034602 k( 125) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0034602 k( 126) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0034602 k( 127) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0034602 k( 128) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0034602 k( 129) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0034602 k( 130) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0034602 k( 131) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0034602 k( 132) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0034602 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 135) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0034602 k( 136) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0034602 k( 137) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0034602 k( 138) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0034602 k( 139) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0034602 k( 140) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0034602 k( 141) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0034602 k( 142) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0034602 k( 143) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0034602 k( 144) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0034602 k( 145) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0034602 k( 146) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0034602 k( 147) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0034602 k( 148) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0034602 k( 149) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0034602 k( 150) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0034602 k( 151) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0034602 k( 152) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0034602 k( 153) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0034602 k( 154) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0034602 k( 155) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0034602 k( 156) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0034602 k( 157) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0034602 k( 158) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0034602 k( 159) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0034602 k( 160) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0034602 k( 161) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0034602 k( 162) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0034602 k( 163) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0034602 k( 164) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0034602 k( 165) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0034602 k( 166) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0034602 k( 167) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0034602 k( 168) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0034602 k( 169) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0034602 k( 170) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0034602 k( 171) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0034602 k( 172) = ( 0.4871795 0.0000000 0.5000000), wk = 0.0034602 k( 173) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034602 k( 174) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034602 k( 175) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0034602 k( 176) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0034602 k( 177) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0034602 k( 178) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0034602 k( 179) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0034602 k( 180) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0034602 k( 181) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0034602 k( 182) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0034602 k( 183) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0034602 k( 184) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0034602 k( 185) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0034602 k( 186) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0034602 k( 187) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0034602 k( 188) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0034602 k( 189) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0034602 k( 190) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0034602 k( 191) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0034602 k( 192) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0034602 k( 193) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0034602 k( 194) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0034602 k( 195) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0034602 k( 196) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0034602 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034602 k( 198) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034602 k( 199) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0034602 k( 200) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0034602 k( 201) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0034602 k( 202) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0034602 k( 203) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0034602 k( 204) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0034602 k( 205) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0034602 k( 206) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0034602 k( 207) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0034602 k( 208) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0034602 k( 209) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0034602 k( 210) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0034602 k( 211) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0034602 k( 212) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0034602 k( 213) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0034602 k( 214) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0034602 k( 215) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0034602 k( 216) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0034602 k( 217) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0034602 k( 218) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0034602 k( 219) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0034602 k( 220) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0034602 k( 221) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0034602 k( 222) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0034602 k( 223) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0034602 k( 224) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0034602 k( 225) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0034602 k( 226) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0034602 k( 227) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0034602 k( 228) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0034602 k( 229) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0034602 k( 230) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0034602 k( 231) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0034602 k( 232) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0034602 k( 233) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0034602 k( 234) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0034602 k( 235) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0034602 k( 236) = ( 0.0518518 0.0518519 0.5000000), wk = 0.0034602 k( 237) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0034602 k( 238) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0034602 k( 239) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0034602 k( 240) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0034602 k( 241) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0034602 k( 242) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0034602 k( 243) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 244) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034602 k( 245) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0034602 k( 246) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0034602 k( 247) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0034602 k( 248) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0034602 k( 249) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0034602 k( 250) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0034602 k( 251) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0034602 k( 252) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0034602 k( 253) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0034602 k( 254) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0034602 k( 255) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034602 k( 256) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0034602 k( 257) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0034602 k( 258) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0034602 k( 259) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0034602 k( 260) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0034602 k( 261) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0034602 k( 262) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0034602 k( 263) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0034602 k( 264) = ( 0.5000000 0.0000000 0.0454545), wk = 0.0034602 k( 265) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0034602 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 267) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034602 k( 268) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0034602 k( 269) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0034602 k( 270) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0034602 k( 271) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0034602 k( 272) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0034602 k( 273) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0034602 k( 274) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0034602 k( 275) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0034602 k( 276) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0034602 k( 277) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0034602 k( 278) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034602 k( 279) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0034602 k( 280) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0034602 k( 281) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0034602 k( 282) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0034602 k( 283) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0034602 k( 284) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0034602 k( 285) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0034602 k( 286) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0034602 k( 287) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0034602 k( 288) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0034602 k( 289) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034602 Dense grid: 138637 G-vectors FFT dimensions: ( 60, 60, 96) Smooth grid: 39701 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 224, 62) NL pseudopotentials 0.29 Mb ( 112, 168) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2887) G-vector shells 0.01 Mb ( 1378) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 224, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.32 Mb ( 168, 2, 62) The potential is recalculated from file : ./CaBiAu.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.2 secs Computing kpt #: 2 total cpu time spent up to now is 52.5 secs Computing kpt #: 3 total cpu time spent up to now is 57.8 secs Computing kpt #: 4 total cpu time spent up to now is 63.4 secs Computing kpt #: 5 total cpu time spent up to now is 68.8 secs Computing kpt #: 6 total cpu time spent up to now is 74.2 secs Computing kpt #: 7 total cpu time spent up to now is 79.7 secs Computing kpt #: 8 total cpu time spent up to now is 85.6 secs Computing kpt #: 9 total cpu time spent up to now is 92.1 secs Computing kpt #: 10 total cpu time spent up to now is 98.7 secs Computing kpt #: 11 total cpu time spent up to now is 104.6 secs Computing kpt #: 12 total cpu time spent up to now is 109.9 secs Computing kpt #: 13 total cpu time spent up to now is 115.2 secs Computing kpt #: 14 total cpu time spent up to now is 120.4 secs Computing kpt #: 15 total cpu time spent up to now is 125.5 secs Computing kpt #: 16 total cpu time spent up to now is 130.9 secs Computing kpt #: 17 total cpu time spent up to now is 137.7 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.6 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.7 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.0 secs Computing kpt #: 21 total cpu time spent up to now is 165.9 secs Computing kpt #: 22 total cpu time spent up to now is 173.3 secs Computing kpt #: 23 total cpu time spent up to now is 180.1 secs Computing kpt #: 24 total cpu time spent up to now is 185.6 secs Computing kpt #: 25 total cpu time spent up to now is 190.7 secs Computing kpt #: 26 total cpu time spent up to now is 195.9 secs Computing kpt #: 27 total cpu time spent up to now is 201.1 secs Computing kpt #: 28 total cpu time spent up to now is 206.4 secs Computing kpt #: 29 total cpu time spent up to now is 211.7 secs Computing kpt #: 30 total cpu time spent up to now is 217.0 secs Computing kpt #: 31 total cpu time spent up to now is 222.1 secs Computing kpt #: 32 total cpu time spent up to now is 227.5 secs Computing kpt #: 33 total cpu time spent up to now is 232.7 secs Computing kpt #: 34 total cpu time spent up to now is 237.9 secs Computing kpt #: 35 total cpu time spent up to now is 243.3 secs Computing kpt #: 36 total cpu time spent up to now is 248.7 secs Computing kpt #: 37 total cpu time spent up to now is 253.8 secs Computing kpt #: 38 total cpu time spent up to now is 259.5 secs Computing kpt #: 39 total cpu time spent up to now is 265.5 secs Computing kpt #: 40 total cpu time spent up to now is 271.0 secs Computing kpt #: 41 total cpu time spent up to now is 276.9 secs Computing kpt #: 42 total cpu time spent up to now is 282.6 secs Computing kpt #: 43 total cpu time spent up to now is 287.9 secs Computing kpt #: 44 total cpu time spent up to now is 293.7 secs Computing kpt #: 45 total cpu time spent up to now is 299.5 secs Computing kpt #: 46 total cpu time spent up to now is 305.7 secs Computing kpt #: 47 total cpu time spent up to now is 312.3 secs Computing kpt #: 48 total cpu time spent up to now is 319.1 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.0 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.1 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 340.3 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.7 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.3 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.8 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.1 secs Computing kpt #: 56 total cpu time spent up to now is 376.9 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.9 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.3 secs Computing kpt #: 59 total cpu time spent up to now is 398.0 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 405.1 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 413.1 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.4 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 427.5 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.6 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.5 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 448.5 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 455.6 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.4 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 469.7 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.1 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 486.2 secs Computing kpt #: 72 total cpu time spent up to now is 493.0 secs Computing kpt #: 73 total cpu time spent up to now is 500.1 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.5 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.1 secs Computing kpt #: 76 total cpu time spent up to now is 522.3 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 529.6 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 537.2 secs Computing kpt #: 79 total cpu time spent up to now is 544.7 secs Computing kpt #: 80 total cpu time spent up to now is 551.0 secs Computing kpt #: 81 total cpu time spent up to now is 557.5 secs Computing kpt #: 82 total cpu time spent up to now is 563.4 secs Computing kpt #: 83 total cpu time spent up to now is 569.8 secs Computing kpt #: 84 total cpu time spent up to now is 576.0 secs Computing kpt #: 85 total cpu time spent up to now is 582.8 secs Computing kpt #: 86 total cpu time spent up to now is 589.9 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 597.1 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 604.5 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 611.9 secs Computing kpt #: 90 total cpu time spent up to now is 618.7 secs Computing kpt #: 91 total cpu time spent up to now is 624.7 secs Computing kpt #: 92 total cpu time spent up to now is 630.1 secs Computing kpt #: 93 total cpu time spent up to now is 635.6 secs Computing kpt #: 94 total cpu time spent up to now is 641.3 secs Computing kpt #: 95 total cpu time spent up to now is 646.7 secs Computing kpt #: 96 total cpu time spent up to now is 652.1 secs Computing kpt #: 97 total cpu time spent up to now is 658.0 secs Computing kpt #: 98 total cpu time spent up to now is 663.6 secs Computing kpt #: 99 total cpu time spent up to now is 669.1 secs Computing kpt #: 100 total cpu time spent up to now is 675.4 secs Computing kpt #: 101 total cpu time spent up to now is 681.6 secs Computing kpt #: 102 total cpu time spent up to now is 687.8 secs Computing kpt #: 103 total cpu time spent up to now is 693.3 secs Computing kpt #: 104 total cpu time spent up to now is 698.7 secs Computing kpt #: 105 total cpu time spent up to now is 704.4 secs Computing kpt #: 106 total cpu time spent up to now is 709.9 secs Computing kpt #: 107 total cpu time spent up to now is 715.4 secs Computing kpt #: 108 total cpu time spent up to now is 720.7 secs Computing kpt #: 109 total cpu time spent up to now is 726.2 secs Computing kpt #: 110 total cpu time spent up to now is 731.2 secs Computing kpt #: 111 total cpu time spent up to now is 736.7 secs Computing kpt #: 112 total cpu time spent up to now is 742.1 secs Computing kpt #: 113 total cpu time spent up to now is 747.2 secs Computing kpt #: 114 total cpu time spent up to now is 752.8 secs Computing kpt #: 115 total cpu time spent up to now is 758.1 secs Computing kpt #: 116 total cpu time spent up to now is 763.5 secs Computing kpt #: 117 total cpu time spent up to now is 768.4 secs Computing kpt #: 118 total cpu time spent up to now is 775.6 secs Computing kpt #: 119 total cpu time spent up to now is 781.0 secs Computing kpt #: 120 total cpu time spent up to now is 786.3 secs Computing kpt #: 121 total cpu time spent up to now is 791.5 secs Computing kpt #: 122 total cpu time spent up to now is 796.6 secs Computing kpt #: 123 total cpu time spent up to now is 801.9 secs Computing kpt #: 124 total cpu time spent up to now is 807.0 secs Computing kpt #: 125 total cpu time spent up to now is 812.4 secs Computing kpt #: 126 total cpu time spent up to now is 817.6 secs Computing kpt #: 127 total cpu time spent up to now is 822.9 secs Computing kpt #: 128 total cpu time spent up to now is 828.4 secs Computing kpt #: 129 total cpu time spent up to now is 833.7 secs Computing kpt #: 130 total cpu time spent up to now is 839.3 secs Computing kpt #: 131 total cpu time spent up to now is 845.4 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 852.4 secs Computing kpt #: 133 total cpu time spent up to now is 858.9 secs Computing kpt #: 134 total cpu time spent up to now is 865.2 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 872.4 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 879.8 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 887.1 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 894.6 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 902.0 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 909.5 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 916.9 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 924.1 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 931.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 938.6 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 945.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 953.3 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 960.4 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 967.7 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 975.1 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.3 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 989.6 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 996.8 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1003.8 secs Computing kpt #: 154 total cpu time spent up to now is 1009.9 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1017.0 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1024.0 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1031.2 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.1 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1045.1 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1052.0 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1058.8 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1065.8 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1073.7 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1081.4 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1088.1 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1094.9 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1101.6 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1108.3 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1115.0 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1121.7 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1128.3 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.0 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1141.7 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1148.3 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1155.1 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1161.7 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1168.5 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1175.3 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1182.0 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1188.7 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1195.5 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1202.2 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1209.0 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1216.9 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1223.7 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1230.6 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1237.5 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1244.4 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1251.4 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1258.7 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1266.1 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1273.3 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1280.5 secs Computing kpt #: 194 total cpu time spent up to now is 1286.7 secs Computing kpt #: 195 total cpu time spent up to now is 1292.3 secs Computing kpt #: 196 total cpu time spent up to now is 1298.4 secs Computing kpt #: 197 total cpu time spent up to now is 1303.9 secs Computing kpt #: 198 total cpu time spent up to now is 1310.4 secs Computing kpt #: 199 total cpu time spent up to now is 1316.5 secs Computing kpt #: 200 total cpu time spent up to now is 1322.5 secs Computing kpt #: 201 total cpu time spent up to now is 1328.1 secs Computing kpt #: 202 total cpu time spent up to now is 1335.2 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1342.4 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1349.7 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1357.1 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1364.2 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1371.8 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1380.6 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1387.7 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1394.7 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1401.6 secs Computing kpt #: 212 total cpu time spent up to now is 1408.3 secs Computing kpt #: 213 total cpu time spent up to now is 1414.9 secs Computing kpt #: 214 total cpu time spent up to now is 1421.0 secs Computing kpt #: 215 total cpu time spent up to now is 1426.9 secs Computing kpt #: 216 total cpu time spent up to now is 1432.6 secs Computing kpt #: 217 total cpu time spent up to now is 1438.1 secs Computing kpt #: 218 total cpu time spent up to now is 1443.6 secs Computing kpt #: 219 total cpu time spent up to now is 1448.8 secs Computing kpt #: 220 total cpu time spent up to now is 1454.4 secs Computing kpt #: 221 total cpu time spent up to now is 1459.9 secs Computing kpt #: 222 total cpu time spent up to now is 1465.8 secs Computing kpt #: 223 total cpu time spent up to now is 1471.4 secs Computing kpt #: 224 total cpu time spent up to now is 1476.7 secs Computing kpt #: 225 total cpu time spent up to now is 1482.0 secs Computing kpt #: 226 total cpu time spent up to now is 1487.8 secs Computing kpt #: 227 total cpu time spent up to now is 1494.7 secs Computing kpt #: 228 total cpu time spent up to now is 1501.1 secs Computing kpt #: 229 total cpu time spent up to now is 1508.1 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1515.2 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1522.2 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1529.4 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1536.6 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1543.8 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1551.1 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1558.4 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1565.7 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1573.4 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1580.7 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1588.0 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1595.3 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1602.6 secs Computing kpt #: 243 total cpu time spent up to now is 1609.0 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1615.7 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1622.4 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1629.3 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1636.4 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1643.2 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1649.9 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1657.0 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1663.8 secs Computing kpt #: 252 total cpu time spent up to now is 1670.9 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1678.4 secs Computing kpt #: 254 total cpu time spent up to now is 1684.6 secs Computing kpt #: 255 total cpu time spent up to now is 1690.8 secs Computing kpt #: 256 total cpu time spent up to now is 1696.6 secs Computing kpt #: 257 total cpu time spent up to now is 1702.2 secs Computing kpt #: 258 total cpu time spent up to now is 1707.8 secs Computing kpt #: 259 total cpu time spent up to now is 1713.7 secs Computing kpt #: 260 total cpu time spent up to now is 1719.1 secs Computing kpt #: 261 total cpu time spent up to now is 1724.4 secs Computing kpt #: 262 total cpu time spent up to now is 1730.3 secs Computing kpt #: 263 total cpu time spent up to now is 1735.9 secs Computing kpt #: 264 total cpu time spent up to now is 1741.2 secs Computing kpt #: 265 total cpu time spent up to now is 1746.5 secs Computing kpt #: 266 total cpu time spent up to now is 1752.6 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1759.7 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1766.6 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1773.4 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1780.3 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1787.2 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1794.3 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1801.3 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1808.3 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1815.8 secs Computing kpt #: 276 total cpu time spent up to now is 1823.0 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1830.7 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1838.1 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1845.4 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1852.9 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1860.3 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1867.5 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1874.9 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1882.0 secs Computing kpt #: 285 total cpu time spent up to now is 1887.9 secs Computing kpt #: 286 total cpu time spent up to now is 1893.5 secs Computing kpt #: 287 total cpu time spent up to now is 1900.1 secs Computing kpt #: 288 total cpu time spent up to now is 1906.5 secs Computing kpt #: 289 total cpu time spent up to now is 1913.6 secs ethr = 1.92E-11, avg # of iterations = 99.5 total cpu time spent up to now is 1913.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4997 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8667 -11.8667 -11.8105 -11.8105 -11.5167 -11.5167 -11.4503 -11.4503 -11.4294 -11.4294 -11.4153 -11.4153 -1.5520 -1.5520 -0.6329 -0.6329 4.4875 4.4875 4.6424 4.6424 4.7294 4.7294 4.8952 4.8952 5.2548 5.2548 5.2863 5.2863 5.5314 5.5314 6.1115 6.1115 6.1668 6.1668 6.5487 6.5487 6.8921 6.8921 9.0946 9.0946 9.7925 9.7925 9.9366 9.9366 10.4619 10.4619 10.5396 10.5396 11.8061 11.8061 12.0432 12.0432 12.4042 12.4042 12.4303 12.4303 12.4976 12.4976 k = 0.0128 0.0074-0.0000 ( 5019 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8669 -11.8666 -11.8108 -11.8105 -11.5169 -11.5166 -11.4504 -11.4504 -11.4295 -11.4295 -11.4155 -11.4152 -1.5510 -1.5509 -0.6333 -0.6321 4.4877 4.4877 4.6424 4.6424 4.7251 4.7340 4.8830 4.9086 5.2371 5.2724 5.2807 5.2915 5.5311 5.5330 6.1115 6.1115 6.1650 6.1687 6.5489 6.5489 6.8849 6.8993 9.0790 9.0980 9.7774 9.7779 9.9139 9.9364 10.4437 10.4859 10.5472 10.5712 11.7918 11.8126 12.0263 12.0265 12.3974 12.3986 12.4359 12.4398 12.4861 12.5299 k = 0.0256 0.0148-0.0000 ( 5025 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8671 -11.8665 -11.8110 -11.8104 -11.5171 -11.5164 -11.4506 -11.4506 -11.4296 -11.4296 -11.4157 -11.4150 -1.5478 -1.5475 -0.6332 -0.6307 4.4885 4.4886 4.6423 4.6424 4.7210 4.7388 4.8720 4.9230 5.2197 5.2749 5.2898 5.2964 5.5322 5.5354 6.1115 6.1116 6.1634 6.1708 6.5492 6.5492 6.8775 6.9063 9.0511 9.0891 9.7360 9.7395 9.8720 9.9131 10.4319 10.5118 10.5912 10.6359 11.7701 11.8098 11.9830 11.9843 12.3716 12.3775 12.4440 12.4688 12.5072 12.5801 k = 0.0385 0.0222-0.0000 ( 5025 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8672 -11.8663 -11.8113 -11.8104 -11.5173 -11.5162 -11.4508 -11.4508 -11.4298 -11.4298 -11.4159 -11.4149 -1.5423 -1.5419 -0.6325 -0.6288 4.4898 4.4900 4.6422 4.6424 4.7172 4.7438 4.8623 4.9384 5.2027 5.2688 5.3010 5.3063 5.5353 5.5384 6.1115 6.1118 6.1619 6.1729 6.5498 6.5498 6.8700 6.9134 9.0107 9.0676 9.6778 9.6870 9.8156 9.8696 10.4241 10.5354 10.6619 10.7239 11.7404 11.7961 11.9268 11.9296 12.3303 12.3497 12.4496 12.5042 12.5545 12.6474 k = 0.0513 0.0296-0.0000 ( 5009 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8673 -11.8661 -11.8116 -11.8103 -11.5174 -11.5161 -11.4511 -11.4510 -11.4299 -11.4299 -11.4161 -11.4148 -1.5346 -1.5340 -0.6313 -0.6263 4.4916 4.4921 4.6419 4.6423 4.7138 4.7490 4.8540 4.9546 5.1865 5.2626 5.3052 5.3216 5.5408 5.5419 6.1113 6.1121 6.1605 6.1752 6.5506 6.5507 6.8623 6.9206 8.9578 9.0329 9.6122 9.6282 9.7487 9.8106 10.4161 10.5533 10.7486 10.8266 11.6994 11.7696 11.8700 11.8722 12.2844 12.3197 12.4602 12.5402 12.6110 12.7275 k = 0.0641 0.0370-0.0000 ( 5001 PWs) bands (ev): -30.5181 -30.5181 -30.5056 -30.5056 -11.8674 -11.8659 -11.8119 -11.8104 -11.5176 -11.5159 -11.4514 -11.4514 -11.4302 -11.4302 -11.4163 -11.4147 -1.5248 -1.5240 -0.6295 -0.6234 4.4938 4.4947 4.6415 4.6421 4.7108 4.7542 4.8470 4.9715 5.1712 5.2564 5.3090 5.3352 5.5456 5.5492 6.1111 6.1125 6.1593 6.1777 6.5516 6.5518 6.8544 6.9279 8.8931 8.9847 9.5458 9.5673 9.6742 9.7408 10.4041 10.5627 10.8432 10.9380 11.6428 11.7296 11.8186 11.8229 12.2416 12.2905 12.4781 12.5760 12.6700 12.8158 k = 0.0769 0.0444-0.0000 ( 4997 PWs) bands (ev): -30.5181 -30.5181 -30.5056 -30.5056 -11.8676 -11.8658 -11.8123 -11.8105 -11.5178 -11.5158 -11.4519 -11.4518 -11.4305 -11.4305 -11.4165 -11.4146 -1.5129 -1.5119 -0.6273 -0.6200 4.4963 4.4979 4.6407 4.6418 4.7084 4.7596 4.8416 4.9887 5.1569 5.2501 5.3124 5.3467 5.5495 5.5607 6.1107 6.1132 6.1583 6.1802 6.5528 6.5532 6.8464 6.9354 8.8178 8.9236 9.4821 9.5053 9.5948 9.6652 10.3855 10.5613 10.9389 11.0540 11.5702 11.6771 11.7745 11.7896 12.2061 12.2636 12.5033 12.6115 12.7292 12.9084 k = 0.0897 0.0518-0.0000 ( 4973 PWs) bands (ev): -30.5181 -30.5181 -30.5056 -30.5056 -11.8676 -11.8656 -11.8127 -11.8106 -11.5179 -11.5156 -11.4524 -11.4523 -11.4308 -11.4308 -11.4166 -11.4145 -1.4989 -1.4977 -0.6245 -0.6161 4.4991 4.5016 4.6397 4.6411 4.7067 4.7650 4.8376 5.0059 5.1442 5.2439 5.3155 5.3561 5.5535 5.5755 6.1101 6.1140 6.1574 6.1830 6.5542 6.5548 6.8382 6.9433 8.7337 8.8509 9.4210 9.4404 9.5133 9.5886 10.3591 10.5475 11.0285 11.1708 11.4870 11.6148 11.7465 11.7683 12.1784 12.2398 12.5354 12.6471 12.7881 13.0018 k = 0.1026 0.0592-0.0000 ( 4977 PWs) bands (ev): -30.5180 -30.5180 -30.5056 -30.5055 -11.8677 -11.8654 -11.8131 -11.8108 -11.5181 -11.5156 -11.4530 -11.4528 -11.4312 -11.4312 -11.4168 -11.4145 -1.4829 -1.4815 -0.6214 -0.6118 4.5021 4.5058 4.6382 4.6400 4.7057 4.7703 4.8352 5.0223 5.1336 5.2380 5.3181 5.3633 5.5576 5.5935 6.1094 6.1152 6.1566 6.1860 6.5558 6.5566 6.8300 6.9515 8.6428 8.7691 9.3586 9.3690 9.4345 9.5161 10.3245 10.5206 11.1027 11.2799 11.4031 11.5482 11.7415 11.7564 12.1571 12.2196 12.5733 12.6829 12.8469 13.0932 k = 0.1154 0.0666-0.0000 ( 4971 PWs) bands (ev): -30.5180 -30.5180 -30.5055 -30.5055 -11.8678 -11.8653 -11.8136 -11.8110 -11.5183 -11.5154 -11.4537 -11.4535 -11.4316 -11.4316 -11.4170 -11.4145 -1.4649 -1.4633 -0.6178 -0.6071 4.5053 4.5105 4.6364 4.6385 4.7056 4.7757 4.8343 5.0366 5.1263 5.2325 5.3203 5.3687 5.5616 5.6142 6.1086 6.1166 6.1559 6.1893 6.5575 6.5585 6.8217 6.9601 8.5468 8.6806 9.2866 9.2881 9.3663 9.4515 10.2824 10.4807 11.1494 11.2825 11.4166 11.4867 11.7527 11.7648 12.1400 12.2040 12.6163 12.7192 12.9059 13.1798 k = 0.1282 0.0740-0.0000 ( 4965 PWs) bands (ev): -30.5179 -30.5179 -30.5055 -30.5055 -11.8679 -11.8651 -11.8141 -11.8113 -11.5185 -11.5153 -11.4544 -11.4542 -11.4321 -11.4320 -11.4172 -11.4145 -1.4451 -1.4432 -0.6138 -0.6020 4.5084 4.5155 4.6340 4.6363 4.7066 4.7810 4.8350 5.0465 5.1244 5.2274 5.3221 5.3725 5.5658 5.6373 6.1075 6.1183 6.1553 6.1928 6.5592 6.5606 6.8136 6.9694 8.4476 8.5879 9.1981 9.2022 9.3111 9.3945 10.2335 10.4289 11.1559 11.1914 11.4424 11.5113 11.7583 11.8177 12.1252 12.1948 12.6635 12.7561 12.9655 13.2599 k = 0.1410 0.0814-0.0000 ( 4967 PWs) bands (ev): -30.5179 -30.5179 -30.5054 -30.5054 -11.8679 -11.8649 -11.8147 -11.8117 -11.5186 -11.5153 -11.4553 -11.4550 -11.4326 -11.4326 -11.4174 -11.4145 -1.4234 -1.4213 -0.6094 -0.5966 4.5114 4.5209 4.6313 4.6335 4.7086 4.7863 4.8371 5.0501 5.1299 5.2229 5.3234 5.3752 5.5700 5.6622 6.1062 6.1203 6.1548 6.1968 6.5609 6.5627 6.8057 6.9792 8.3466 8.4931 9.1016 9.1104 9.2632 9.3430 10.1790 10.3670 11.0939 11.1202 11.4220 11.5917 11.7757 11.8953 12.1113 12.1952 12.7143 12.7939 13.0260 13.3325 k = 0.1538 0.0888-0.0000 ( 4963 PWs) bands (ev): -30.5179 -30.5178 -30.5054 -30.5054 -11.8680 -11.8648 -11.8153 -11.8121 -11.5188 -11.5152 -11.4562 -11.4558 -11.4332 -11.4331 -11.4176 -11.4145 -1.4001 -1.3977 -0.6047 -0.5909 4.5141 4.5264 4.6281 4.6302 4.7117 4.7916 4.8406 5.0480 5.1418 5.2191 5.3240 5.3769 5.5744 5.6886 6.1047 6.1226 6.1543 6.2011 6.5623 6.5648 6.7983 6.9897 8.2450 8.3979 9.0009 9.0150 9.2187 9.2948 10.1199 10.2972 10.9956 11.0560 11.4184 11.6451 11.8060 11.9885 12.0983 12.2104 12.7678 12.8327 13.0876 13.3980 k = 0.1667 0.0962-0.0000 ( 4963 PWs) bands (ev): -30.5178 -30.5178 -30.5054 -30.5053 -11.8680 -11.8647 -11.8159 -11.8125 -11.5190 -11.5151 -11.4571 -11.4567 -11.4337 -11.4337 -11.4178 -11.4146 -1.3751 -1.3725 -0.5997 -0.5849 4.5164 4.5320 4.6248 4.6264 4.7159 4.7970 4.8453 5.0427 5.1575 5.2161 5.3238 5.3779 5.5791 5.7161 6.1030 6.1253 6.1539 6.2059 6.5632 6.5669 6.7915 7.0010 8.1440 8.3037 8.8975 8.9175 9.1757 9.2484 10.0573 10.2213 10.8977 10.9782 11.4225 11.6741 11.8384 12.0678 12.1074 12.2454 12.8237 12.8727 13.1505 13.4571 k = 0.1795 0.1036-0.0000 ( 4967 PWs) bands (ev): -30.5177 -30.5177 -30.5053 -30.5053 -11.8681 -11.8646 -11.8165 -11.8129 -11.5191 -11.5151 -11.4581 -11.4576 -11.4344 -11.4343 -11.4179 -11.4147 -1.3486 -1.3457 -0.5945 -0.5788 4.5179 4.5373 4.6215 4.6223 4.7212 4.8026 4.8509 5.0360 5.1750 5.2139 5.3228 5.3784 5.5844 5.7442 6.1009 6.1282 6.1535 6.2113 6.5635 6.5687 6.7858 7.0129 8.0445 8.2116 8.7925 8.8188 9.1333 9.2032 9.9921 10.1414 10.8009 10.8947 11.4298 11.6895 11.8599 12.0605 12.2051 12.3002 12.8811 12.9139 13.2149 13.5114 k = 0.1923 0.1110-0.0000 ( 4965 PWs) bands (ev): -30.5177 -30.5177 -30.5053 -30.5052 -11.8681 -11.8645 -11.8171 -11.8134 -11.5193 -11.5151 -11.4592 -11.4585 -11.4350 -11.4349 -11.4181 -11.4148 -1.3207 -1.3175 -0.5890 -0.5725 4.5184 4.5423 4.6181 4.6183 4.7275 4.8085 4.8573 5.0291 5.1929 5.2126 5.3208 5.3785 5.5904 5.7727 6.0985 6.1315 6.1533 6.2172 6.5627 6.5703 6.7812 7.0254 7.9475 8.1227 8.6866 8.7193 9.0913 9.1586 9.9251 10.0589 10.7056 10.8091 11.4382 11.6973 11.8689 12.0436 12.3105 12.3685 12.9392 12.9564 13.2808 13.5629 k = 0.2051 0.1184-0.0000 ( 4961 PWs) bands (ev): -30.5176 -30.5176 -30.5052 -30.5052 -11.8682 -11.8644 -11.8177 -11.8139 -11.5194 -11.5151 -11.4602 -11.4595 -11.4357 -11.4355 -11.4182 -11.4149 -1.2916 -1.2880 -0.5834 -0.5660 4.5176 4.5463 4.6143 4.6157 4.7348 4.8146 4.8643 5.0222 5.2107 5.2122 5.3177 5.3782 5.5973 5.8013 6.0956 6.1351 6.1532 6.2237 6.5606 6.5715 6.7782 7.0383 7.8538 8.0377 8.5803 8.6197 9.0494 9.1144 9.8571 9.9752 10.6124 10.7235 11.4466 11.6989 11.8707 12.0251 12.4126 12.4423 12.9971 13.0002 13.3480 13.6140 k = 0.2179 0.1258-0.0000 ( 4959 PWs) bands (ev): -30.5176 -30.5176 -30.5052 -30.5051 -11.8682 -11.8643 -11.8183 -11.8145 -11.5196 -11.5151 -11.4613 -11.4605 -11.4363 -11.4362 -11.4183 -11.4150 -1.2613 -1.2573 -0.5777 -0.5596 4.5153 4.5490 4.6113 4.6138 4.7431 4.8211 4.8718 5.0158 5.2127 5.2275 5.3135 5.3777 5.6053 5.8296 6.0923 6.1389 6.1535 6.2309 6.5570 6.5724 6.7767 7.0513 7.7644 7.9573 8.4740 8.5201 9.0076 9.0707 9.7885 9.8913 10.5214 10.6386 11.4543 11.6938 11.8707 12.0059 12.5084 12.5157 13.0451 13.0537 13.4150 13.6665 k = 0.2308 0.1332-0.0000 ( 4963 PWs) bands (ev): -30.5175 -30.5175 -30.5051 -30.5051 -11.8682 -11.8643 -11.8189 -11.8151 -11.5197 -11.5152 -11.4624 -11.4615 -11.4370 -11.4368 -11.4184 -11.4151 -1.2300 -1.2257 -0.5720 -0.5532 4.5115 4.5496 4.6098 4.6128 4.7524 4.8278 4.8797 5.0099 5.2141 5.2425 5.3088 5.3767 5.6147 5.8576 6.0885 6.1429 6.1542 6.2387 6.5518 6.5729 6.7769 7.0638 7.6803 7.8822 8.3682 8.4212 8.9659 9.0273 9.7200 9.8080 10.4329 10.5551 11.4604 11.6818 11.8724 11.9868 12.5854 12.5963 13.0906 13.1078 13.4783 13.6722 k = 0.2436 0.1406-0.0000 ( 4955 PWs) bands (ev): -30.5174 -30.5174 -30.5051 -30.5050 -11.8682 -11.8643 -11.8196 -11.8156 -11.5198 -11.5152 -11.4635 -11.4626 -11.4377 -11.4375 -11.4184 -11.4152 -1.1978 -1.1931 -0.5663 -0.5469 4.5062 4.5479 4.6099 4.6126 4.7627 4.8347 4.8877 5.0046 5.2163 5.2536 5.3052 5.3755 5.6254 5.8848 6.0841 6.1472 6.1555 6.2472 6.5451 6.5729 6.7784 7.0750 7.6028 7.8128 8.2633 8.3232 8.9244 8.9844 9.6518 9.7259 10.3470 10.4734 11.4643 11.6633 11.8772 11.9687 12.6497 12.6751 13.1364 13.1590 13.5325 13.6571 k = 0.2564 0.1480-0.0000 ( 4959 PWs) bands (ev): -30.5174 -30.5174 -30.5050 -30.5050 -11.8682 -11.8642 -11.8202 -11.8163 -11.5199 -11.5153 -11.4646 -11.4636 -11.4383 -11.4381 -11.4185 -11.4153 -1.1649 -1.1598 -0.5608 -0.5407 4.4996 4.5438 4.6118 4.6131 4.7738 4.8419 4.8958 4.9999 5.2191 5.2572 5.3063 5.3739 5.6377 5.9109 6.0793 6.1516 6.1577 6.2565 6.5370 6.5724 6.7809 7.0833 7.5333 7.7495 8.1596 8.2270 8.8833 8.9421 9.5845 9.6456 10.2639 10.3936 11.4655 11.6396 11.8850 11.9524 12.7083 12.7447 13.1816 13.2070 13.5716 13.6445 k = 0.2692 0.1554-0.0000 ( 4957 PWs) bands (ev): -30.5173 -30.5173 -30.5050 -30.5049 -11.8681 -11.8642 -11.8208 -11.8169 -11.5199 -11.5153 -11.4657 -11.4647 -11.4390 -11.4387 -11.4186 -11.4155 -1.1315 -1.1259 -0.5554 -0.5348 4.4920 4.5379 4.6141 4.6149 4.7858 4.8492 4.9039 4.9959 5.2226 5.2517 5.3136 5.3719 5.6513 5.9357 6.0743 6.1562 6.1609 6.2663 6.5279 6.5715 6.7839 7.0867 7.4741 7.6921 8.0578 8.1332 8.8426 8.9006 9.5182 9.5674 10.1837 10.3158 11.4635 11.6125 11.8948 11.9385 12.7612 12.8057 13.2256 13.2519 13.5947 13.6342 k = 0.2821 0.1628-0.0000 ( 4955 PWs) bands (ev): -30.5173 -30.5172 -30.5049 -30.5049 -11.8681 -11.8642 -11.8214 -11.8175 -11.5200 -11.5154 -11.4668 -11.4657 -11.4396 -11.4394 -11.4186 -11.4156 -1.0978 -1.0917 -0.5502 -0.5292 4.4835 4.5305 4.6153 4.6187 4.7986 4.8566 4.9119 4.9925 5.2265 5.2399 5.3243 5.3695 5.6663 5.9585 6.0694 6.1608 6.1654 6.2769 6.5181 6.5702 6.7868 7.0827 7.4272 7.6403 7.9587 8.0429 8.8027 8.8599 9.4534 9.4918 10.1065 10.2403 11.4581 11.5832 11.9060 11.9276 12.8088 12.8590 13.2680 13.2941 13.6063 13.6264 k = 0.2949 0.1702-0.0000 ( 4950 PWs) bands (ev): -30.5172 -30.5172 -30.5049 -30.5048 -11.8681 -11.8643 -11.8219 -11.8182 -11.5200 -11.5155 -11.4678 -11.4667 -11.4403 -11.4400 -11.4187 -11.4157 -1.0638 -1.0572 -0.5454 -0.5241 4.4746 4.5221 4.6166 4.6229 4.8120 4.8642 4.9196 4.9898 5.2245 5.2305 5.3361 5.3670 5.6825 5.9785 6.0656 6.1655 6.1716 6.2881 6.5078 6.5686 6.7890 7.0692 7.3938 7.5930 7.8633 7.9579 8.7635 8.8203 9.3902 9.4189 10.0324 10.1670 11.4494 11.5529 11.9178 11.9198 12.8517 12.9056 13.3083 13.3338 13.6118 13.6213 k = 0.3077 0.1776-0.0000 ( 4954 PWs) bands (ev): -30.5171 -30.5171 -30.5048 -30.5048 -11.8680 -11.8643 -11.8225 -11.8188 -11.5201 -11.5157 -11.4688 -11.4677 -11.4409 -11.4406 -11.4187 -11.4159 -1.0299 -1.0227 -0.5411 -0.5194 4.4654 4.5131 4.6177 4.6271 4.8261 4.8717 4.9270 4.9877 5.2068 5.2345 5.3479 5.3643 5.6997 5.9942 6.0643 6.1701 6.1796 6.2999 6.4975 6.5667 6.7901 7.0462 7.3723 7.5483 7.7736 7.8803 8.7254 8.7819 9.3289 9.3490 9.9615 10.0960 11.4377 11.5223 11.9152 11.9295 12.8903 12.9465 13.3460 13.3713 13.6151 13.6188 k = 0.3205 0.1850-0.0000 ( 4958 PWs) bands (ev): -30.5171 -30.5171 -30.5048 -30.5047 -11.8679 -11.8643 -11.8230 -11.8195 -11.5201 -11.5158 -11.4698 -11.4687 -11.4415 -11.4412 -11.4187 -11.4160 -0.9961 -0.9884 -0.5372 -0.5153 4.4562 4.5036 4.6186 4.6310 4.8406 4.8793 4.9338 4.9863 5.1876 5.2380 5.3592 5.3617 5.7177 6.0038 6.0673 6.1747 6.1896 6.3123 6.4873 6.5646 6.7896 7.0161 7.3568 7.5032 7.6931 7.8133 8.6885 8.7449 9.2698 9.2823 9.8939 10.0275 11.4235 11.4921 11.9134 11.9408 12.9251 12.9826 13.3810 13.4066 13.6183 13.6192 k = 0.3333 0.1925-0.0000 ( 4962 PWs) bands (ev): -30.5170 -30.5170 -30.5047 -30.5047 -11.8679 -11.8644 -11.8235 -11.8201 -11.5201 -11.5159 -11.4708 -11.4697 -11.4420 -11.4417 -11.4187 -11.4162 -0.9627 -0.9544 -0.5339 -0.5119 4.4471 4.4939 4.6191 4.6345 4.8552 4.8868 4.9400 4.9856 5.1675 5.2406 5.3597 5.3699 5.7362 6.0069 6.0754 6.1792 6.2018 6.3253 6.4776 6.5625 6.7875 6.9822 7.3379 7.4541 7.6279 7.7602 8.6531 8.7095 9.2131 9.2191 9.8298 9.9614 11.4076 11.4629 11.9139 11.9513 12.9565 13.0146 13.4129 13.4397 13.6225 13.6227 k = 0.3462 0.1999-0.0000 ( 4954 PWs) bands (ev): -30.5170 -30.5170 -30.5047 -30.5047 -11.8677 -11.8645 -11.8240 -11.8207 -11.5200 -11.5161 -11.4717 -11.4706 -11.4425 -11.4422 -11.4187 -11.4163 -0.9298 -0.9210 -0.5313 -0.5093 4.4383 4.4841 4.6192 4.6373 4.8698 4.8942 4.9456 4.9858 5.1472 5.2417 5.3587 5.3800 5.7552 6.0057 6.0869 6.1836 6.2160 6.3388 6.4683 6.5604 6.7836 6.9473 7.3050 7.3988 7.5855 7.7229 8.6194 8.6759 9.1589 9.1594 9.7693 9.8980 11.3907 11.4349 11.9162 11.9608 12.9850 13.0429 13.4415 13.4706 13.6282 13.6292 k = 0.3590 0.2073-0.0000 ( 4946 PWs) bands (ev): -30.5169 -30.5169 -30.5046 -30.5046 -11.8676 -11.8645 -11.8244 -11.8213 -11.5200 -11.5162 -11.4725 -11.4715 -11.4430 -11.4427 -11.4187 -11.4165 -0.8977 -0.8883 -0.5293 -0.5074 4.4300 4.4742 4.6189 4.6395 4.8838 4.9014 4.9504 4.9871 5.1271 5.2411 5.3592 5.3893 5.7744 6.0024 6.0998 6.1880 6.2321 6.3527 6.4597 6.5583 6.7780 6.9131 7.2541 7.3376 7.5683 7.7007 8.5878 8.6441 9.1035 9.1076 9.7125 9.8373 11.3733 11.4086 11.9198 11.9691 13.0108 13.0679 13.4668 13.4989 13.6356 13.6386 k = 0.3718 0.2147-0.0000 ( 4944 PWs) bands (ev): -30.5169 -30.5169 -30.5046 -30.5046 -11.8675 -11.8647 -11.8247 -11.8219 -11.5199 -11.5164 -11.4732 -11.4723 -11.4435 -11.4432 -11.4187 -11.4166 -0.8666 -0.8566 -0.5283 -0.5066 4.4223 4.4645 4.6182 4.6408 4.8967 4.9084 4.9544 4.9900 5.1079 5.2382 5.3614 5.3977 5.7936 5.9984 6.1135 6.1922 6.2497 6.3670 6.4518 6.5563 6.7712 6.8808 7.1903 7.2727 7.5697 7.6905 8.5583 8.6145 9.0515 9.0592 9.6598 9.7796 11.3561 11.3841 11.9243 11.9760 13.0343 13.0899 13.4891 13.5244 13.6444 13.6501 k = 0.3846 0.2221-0.0000 ( 4940 PWs) bands (ev): -30.5168 -30.5168 -30.5045 -30.5045 -11.8674 -11.8648 -11.8251 -11.8224 -11.5198 -11.5166 -11.4739 -11.4730 -11.4439 -11.4436 -11.4186 -11.4168 -0.8366 -0.8261 -0.5280 -0.5067 4.4152 4.4550 4.6172 4.6411 4.9078 4.9151 4.9577 4.9948 5.0901 5.2332 5.3653 5.4052 5.8126 5.9942 6.1275 6.1964 6.2685 6.3816 6.4448 6.5544 6.7632 6.8509 7.1209 7.2065 7.5819 7.6891 8.5315 8.5870 9.0037 9.0141 9.6115 9.7250 11.3396 11.3617 11.9294 11.9814 13.0557 13.1090 13.5087 13.5469 13.6545 13.6630 k = 0.3974 0.2295-0.0000 ( 4946 PWs) bands (ev): -30.5168 -30.5168 -30.5045 -30.5045 -11.8673 -11.8649 -11.8253 -11.8230 -11.5198 -11.5168 -11.4746 -11.4737 -11.4443 -11.4440 -11.4186 -11.4169 -0.8080 -0.7971 -0.5287 -0.5078 4.4089 4.4458 4.6161 4.6406 4.9165 4.9212 4.9605 5.0018 5.0743 5.2262 5.3707 5.4118 5.8313 5.9902 6.1421 6.2006 6.2880 6.3961 6.4388 6.5526 6.7545 6.8235 7.0506 7.1410 7.5996 7.6935 8.5075 8.5617 8.9601 8.9724 9.5678 9.6737 11.3240 11.3414 11.9347 11.9853 13.0752 13.1253 13.5263 13.5663 13.6655 13.6763 k = 0.4103 0.2369-0.0000 ( 4948 PWs) bands (ev): -30.5168 -30.5168 -30.5045 -30.5045 -11.8672 -11.8651 -11.8256 -11.8234 -11.5196 -11.5170 -11.4751 -11.4743 -11.4447 -11.4444 -11.4185 -11.4171 -0.7810 -0.7696 -0.5303 -0.5101 4.4034 4.4370 4.6149 4.6391 4.9226 4.9266 4.9629 5.0106 5.0611 5.2174 5.3773 5.4173 5.8495 5.9863 6.1572 6.2049 6.3080 6.4103 6.4341 6.5507 6.7454 6.7989 6.9826 7.0779 7.6200 7.7014 8.4866 8.5387 8.9211 8.9343 9.5291 9.6262 11.3098 11.3233 11.9401 11.9878 13.0929 13.1390 13.5422 13.5826 13.6769 13.6890 k = 0.4231 0.2443-0.0000 ( 4950 PWs) bands (ev): -30.5167 -30.5167 -30.5045 -30.5045 -11.8671 -11.8652 -11.8258 -11.8239 -11.5195 -11.5172 -11.4756 -11.4749 -11.4450 -11.4447 -11.4185 -11.4172 -0.7558 -0.7442 -0.5327 -0.5134 4.3989 4.4287 4.6138 4.6368 4.9266 4.9311 4.9653 5.0187 5.0528 5.2072 5.3845 5.4218 5.8670 5.9824 6.1725 6.2092 6.3280 6.4237 6.4311 6.5485 6.7362 6.7768 6.9192 7.0183 7.6411 7.7109 8.4692 8.5181 8.8869 8.9000 9.4959 9.5827 11.2972 11.3076 11.9455 11.9889 13.1088 13.1502 13.5569 13.5958 13.6881 13.7006 k = 0.4359 0.2517-0.0000 ( 4952 PWs) bands (ev): -30.5167 -30.5167 -30.5044 -30.5044 -11.8669 -11.8654 -11.8259 -11.8243 -11.5194 -11.5175 -11.4760 -11.4754 -11.4452 -11.4450 -11.4184 -11.4174 -0.7326 -0.7212 -0.5358 -0.5178 4.3954 4.4210 4.6130 4.6339 4.9291 4.9343 4.9680 5.0205 5.0543 5.1958 5.3920 5.4250 5.8835 5.9783 6.1876 6.2137 6.3479 6.4304 6.4354 6.5458 6.7269 6.7565 6.8631 6.9630 7.6617 7.7204 8.4554 8.4997 8.8576 8.8700 9.4684 9.5435 11.2863 11.2941 11.9509 11.9888 13.1231 13.1588 13.5705 13.6060 13.6985 13.7104 k = 0.4487 0.2591-0.0000 ( 4936 PWs) bands (ev): -30.5167 -30.5167 -30.5044 -30.5044 -11.8668 -11.8655 -11.8259 -11.8247 -11.5192 -11.5177 -11.4762 -11.4758 -11.4454 -11.4452 -11.4183 -11.4175 -0.7118 -0.7009 -0.5393 -0.5230 4.3930 4.4140 4.6126 4.6305 4.9307 4.9362 4.9713 5.0156 5.0651 5.1834 5.3994 5.4271 5.8989 5.9738 6.2017 6.2182 6.3676 6.4329 6.4444 6.5419 6.7179 6.7365 6.8184 6.9130 7.6810 7.7286 8.4454 8.4836 8.8335 8.8443 9.4470 9.5091 11.2774 11.2831 11.9561 11.9876 13.1356 13.1651 13.5828 13.6135 13.7079 13.7183 k = 0.4615 0.2665-0.0000 ( 4940 PWs) bands (ev): -30.5167 -30.5167 -30.5044 -30.5044 -11.8666 -11.8656 -11.8260 -11.8250 -11.5190 -11.5179 -11.4765 -11.4761 -11.4455 -11.4454 -11.4183 -11.4176 -0.6938 -0.6841 -0.5427 -0.5289 4.3917 4.4077 4.6128 4.6269 4.9318 4.9370 4.9753 5.0090 5.0795 5.1702 5.4064 5.4279 5.9131 5.9687 6.2136 6.2225 6.3868 6.4394 6.4495 6.5354 6.7093 6.7159 6.7894 6.8691 7.6983 7.7346 8.4392 8.4697 8.8149 8.8235 9.4321 9.4799 11.2704 11.2744 11.9611 11.9854 13.1464 13.1690 13.5939 13.6182 13.7157 13.7241 k = 0.4744 0.2739-0.0000 ( 4942 PWs) bands (ev): -30.5167 -30.5167 -30.5044 -30.5044 -11.8664 -11.8658 -11.8260 -11.8253 -11.5188 -11.5181 -11.4767 -11.4764 -11.4456 -11.4456 -11.4182 -11.4177 -0.6792 -0.6717 -0.5453 -0.5350 4.3916 4.4024 4.6136 4.6233 4.9329 4.9368 4.9799 5.0024 5.0949 5.1561 5.4127 5.4273 5.9259 5.9626 6.2225 6.2263 6.4051 6.4496 6.4505 6.5241 6.6983 6.7010 6.7761 6.8324 7.7129 7.7374 8.4367 8.4580 8.8019 8.8079 9.4237 9.4562 11.2655 11.2681 11.9660 11.9825 13.1553 13.1706 13.6033 13.6201 13.7218 13.7277 k = 0.4872 0.2813-0.0000 ( 4942 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8663 -11.8660 -11.8259 -11.8255 -11.5187 -11.5183 -11.4767 -11.4766 -11.4457 -11.4457 -11.4181 -11.4179 -0.6689 -0.6647 -0.5460 -0.5405 4.3926 4.3980 4.6151 4.6201 4.9339 4.9361 4.9849 4.9962 5.1107 5.1415 5.4181 5.4255 5.9372 5.9555 6.2278 6.2290 6.4217 6.4447 6.4665 6.5071 6.6892 6.6938 6.7753 6.8040 7.7244 7.7368 8.4377 8.4486 8.7946 8.7977 9.4220 9.4385 11.2628 11.2640 11.9706 11.9790 13.1622 13.1700 13.6109 13.6195 13.7262 13.7292 k = 0.5000 0.2887-0.0000 ( 4946 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8661 -11.8661 -11.8257 -11.8257 -11.5185 -11.5185 -11.4767 -11.4767 -11.4457 -11.4457 -11.4180 -11.4180 -0.6638 -0.6638 -0.5444 -0.5444 4.3948 4.3948 4.6173 4.6173 4.9350 4.9350 4.9903 4.9903 5.1263 5.1263 5.4224 5.4224 5.9471 5.9471 6.2298 6.2298 6.4352 6.4352 6.4865 6.4865 6.6888 6.6888 6.7847 6.7847 7.7325 7.7325 8.4418 8.4418 8.7932 8.7932 9.4270 9.4270 11.2623 11.2623 11.9750 11.9750 13.1671 13.1671 13.6163 13.6163 13.7287 13.7287 k = 0.5000 0.2887-0.0000 ( 4946 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8661 -11.8661 -11.8257 -11.8257 -11.5185 -11.5185 -11.4767 -11.4767 -11.4457 -11.4457 -11.4180 -11.4180 -0.6638 -0.6638 -0.5444 -0.5444 4.3948 4.3948 4.6173 4.6173 4.9350 4.9350 4.9903 4.9903 5.1263 5.1263 5.4224 5.4224 5.9471 5.9471 6.2298 6.2298 6.4352 6.4352 6.4865 6.4865 6.6888 6.6888 6.7847 6.7847 7.7325 7.7325 8.4418 8.4418 8.7932 8.7932 9.4270 9.4270 11.2623 11.2623 11.9750 11.9750 13.1671 13.1671 13.6163 13.6163 13.7287 13.7287 k = 0.4928 0.3012-0.0000 ( 4938 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8662 -11.8661 -11.8258 -11.8257 -11.5185 -11.5184 -11.4767 -11.4767 -11.4457 -11.4457 -11.4180 -11.4179 -0.6638 -0.6630 -0.5446 -0.5439 4.3929 4.3994 4.6152 4.6202 4.9307 4.9394 4.9861 4.9950 5.1194 5.1328 5.4175 5.4272 5.9452 5.9467 6.2205 6.2391 6.4302 6.4399 6.4844 6.4884 6.6819 6.6948 6.7750 6.7956 7.6990 7.7623 8.4088 8.4667 8.7699 8.8143 9.4098 9.4424 11.2537 11.2862 11.9764 11.9784 13.1647 13.1689 13.5987 13.6343 13.7110 13.7468 k = 0.4855 0.3138-0.0000 ( 4932 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8662 -11.8660 -11.8258 -11.8256 -11.5185 -11.5184 -11.4768 -11.4767 -11.4457 -11.4457 -11.4181 -11.4179 -0.6632 -0.6616 -0.5444 -0.5429 4.3938 4.4068 4.6140 4.6239 4.9262 4.9438 4.9822 4.9997 5.1122 5.1390 5.4126 5.4317 5.9409 5.9439 6.2114 6.2487 6.4252 6.4442 6.4823 6.4902 6.6740 6.6996 6.7667 6.8072 7.6622 7.7882 8.3689 8.4834 8.7449 8.8327 9.3912 9.4557 11.2604 11.3247 11.9828 11.9867 13.1614 13.1698 13.5817 13.6512 13.6947 13.7647 k = 0.4783 0.3263-0.0000 ( 4930 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8663 -11.8660 -11.8259 -11.8256 -11.5186 -11.5183 -11.4769 -11.4767 -11.4458 -11.4458 -11.4182 -11.4178 -0.6619 -0.6595 -0.5437 -0.5416 4.3974 4.4170 4.6135 4.6284 4.9215 4.9482 4.9789 5.0046 5.1049 5.1447 5.4078 5.4359 5.9342 5.9390 6.2024 6.2583 6.4203 6.4477 6.4803 6.4917 6.6652 6.7031 6.7602 6.8194 7.6218 7.8090 8.3237 8.4924 8.7190 8.8482 9.3715 9.4664 11.2817 11.3766 11.9941 11.9998 13.1572 13.1700 13.5656 13.6602 13.6869 13.7824 k = 0.4710 0.3389-0.0000 ( 4934 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8663 -11.8659 -11.8259 -11.8255 -11.5186 -11.5183 -11.4770 -11.4767 -11.4459 -11.4459 -11.4183 -11.4178 -0.6599 -0.6568 -0.5428 -0.5400 4.4034 4.4301 4.6139 4.6336 4.9167 4.9527 4.9762 5.0094 5.0975 5.1500 5.4032 5.4397 5.9253 5.9319 6.1935 6.2679 6.4157 6.4504 6.4783 6.4927 6.6555 6.7050 6.7562 6.8320 7.5780 7.8230 8.2765 8.4946 8.6928 8.8607 9.3512 9.4744 11.3163 11.4402 12.0103 12.0174 13.1521 13.1692 13.5507 13.6505 13.6983 13.7994 k = 0.4638 0.3514-0.0000 ( 4936 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8664 -11.8659 -11.8260 -11.8255 -11.5186 -11.5182 -11.4771 -11.4769 -11.4460 -11.4459 -11.4185 -11.4179 -0.6573 -0.6534 -0.5415 -0.5380 4.4119 4.4458 4.6152 4.6395 4.9116 4.9572 4.9743 5.0141 5.0902 5.1547 5.3989 5.4430 5.9141 5.9228 6.1845 6.2776 6.4116 6.4520 6.4765 6.4934 6.6448 6.7052 6.7549 6.8447 7.5306 7.8270 8.2321 8.4914 8.6669 8.8703 9.3304 9.4792 11.3622 11.5135 12.0311 12.0393 13.1458 13.1674 13.5369 13.6354 13.7157 13.8159 k = 0.4565 0.3640-0.0000 ( 4932 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8664 -11.8658 -11.8261 -11.8256 -11.5185 -11.5181 -11.4773 -11.4770 -11.4460 -11.4460 -11.4186 -11.4179 -0.6541 -0.6494 -0.5399 -0.5358 4.4225 4.4643 4.6172 4.6462 4.9064 4.9618 4.9732 5.0184 5.0833 5.1590 5.3950 5.4456 5.9008 5.9117 6.1756 6.2871 6.4080 6.4522 6.4749 6.4937 6.6330 6.7039 6.7560 6.8574 7.4797 7.8167 8.1963 8.4842 8.6419 8.8769 9.3096 9.4809 11.4174 11.5946 12.0566 12.0654 13.1383 13.1643 13.5243 13.6200 13.7340 13.8315 k = 0.4493 0.3765-0.0000 ( 4936 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8665 -11.8658 -11.8262 -11.8256 -11.5186 -11.5180 -11.4775 -11.4771 -11.4462 -11.4461 -11.4187 -11.4180 -0.6503 -0.6448 -0.5381 -0.5333 4.4350 4.4852 4.6201 4.6536 4.9012 4.9664 4.9730 5.0222 5.0770 5.1627 5.3915 5.4475 5.8856 5.8988 6.1665 6.2964 6.4051 6.4507 6.4735 6.4939 6.6201 6.7018 6.7591 6.8699 7.4257 7.7887 8.1744 8.4748 8.6181 8.8805 9.2889 9.4790 11.4795 11.6815 12.0864 12.0951 13.1296 13.1598 13.5129 13.6053 13.7523 13.8463 k = 0.4420 0.3891-0.0000 ( 4946 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8666 -11.8658 -11.8263 -11.8256 -11.5186 -11.5180 -11.4777 -11.4773 -11.4463 -11.4463 -11.4189 -11.4180 -0.6460 -0.6397 -0.5361 -0.5307 4.4491 4.5085 4.6238 4.6617 4.8960 4.9709 4.9735 5.0251 5.0719 5.1659 5.3887 5.4486 5.8685 5.8840 6.1573 6.3055 6.4028 6.4472 6.4723 6.4941 6.6062 6.6993 6.7636 6.8822 7.3690 7.7433 8.1676 8.4646 8.5960 8.8812 9.2686 9.4735 11.5460 11.7721 12.1205 12.1284 13.1195 13.1535 13.5023 13.5915 13.7703 13.8602 k = 0.4348 0.4016-0.0000 ( 4944 PWs) bands (ev): -30.5166 -30.5166 -30.5043 -30.5043 -11.8666 -11.8658 -11.8263 -11.8256 -11.5185 -11.5179 -11.4779 -11.4775 -11.4464 -11.4464 -11.4191 -11.4181 -0.6412 -0.6340 -0.5340 -0.5280 4.4644 4.5339 4.6285 4.6704 4.8912 4.9749 4.9751 5.0268 5.0686 5.1686 5.3866 5.4488 5.8498 5.8674 6.1479 6.3142 6.4011 6.4419 6.4714 6.4944 6.5911 6.6967 6.7693 6.8941 7.3101 7.6850 8.1731 8.4547 8.5758 8.8790 9.2489 9.4644 11.6148 11.8647 12.1585 12.1646 13.1079 13.1451 13.4923 13.5788 13.7879 13.8730 k = 0.4275 0.4142-0.0000 ( 4948 PWs) bands (ev): -30.5166 -30.5166 -30.5043 -30.5043 -11.8666 -11.8658 -11.8264 -11.8256 -11.5185 -11.5178 -11.4781 -11.4777 -11.4466 -11.4465 -11.4192 -11.4183 -0.6359 -0.6279 -0.5318 -0.5252 4.4804 4.5608 4.6343 4.6798 4.8870 4.9770 4.9787 5.0271 5.0676 5.1708 5.3853 5.4480 5.8295 5.8490 6.1383 6.3221 6.3997 6.4347 6.4709 6.4950 6.5751 6.6941 6.7759 6.9054 7.2500 7.6188 8.1873 8.4462 8.5579 8.8738 9.2299 9.4516 11.6837 11.9575 12.2001 12.2036 13.0947 13.1344 13.4826 13.5672 13.8050 13.8844 k = 0.4203 0.4267-0.0000 ( 4952 PWs) bands (ev): -30.5166 -30.5165 -30.5043 -30.5043 -11.8667 -11.8659 -11.8265 -11.8257 -11.5185 -11.5178 -11.4783 -11.4779 -11.4467 -11.4467 -11.4194 -11.4184 -0.6302 -0.6213 -0.5296 -0.5225 4.4967 4.5884 4.6418 4.6896 4.8837 4.9800 4.9812 5.0267 5.0689 5.1725 5.3849 5.4463 5.8078 5.8288 6.1287 6.3291 6.3984 6.4263 6.4709 6.4957 6.5583 6.6915 6.7832 6.9161 7.1896 7.5492 8.2069 8.4397 8.5424 8.8659 9.2116 9.4352 11.7510 12.0487 12.2447 12.2451 13.0798 13.1211 13.4732 13.5568 13.8212 13.8931 k = 0.4130 0.4393-0.0000 ( 4960 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8667 -11.8659 -11.8266 -11.8258 -11.5184 -11.5177 -11.4785 -11.4782 -11.4469 -11.4468 -11.4195 -11.4185 -0.6242 -0.6144 -0.5275 -0.5199 4.5127 4.6142 4.6531 4.6996 4.8820 4.9821 4.9836 5.0268 5.0720 5.1738 5.3855 5.4436 5.7848 5.8068 6.1189 6.3344 6.3968 6.4174 6.4712 6.4965 6.5413 6.6889 6.7912 6.9261 7.1300 7.4790 8.2299 8.4357 8.5299 8.8553 9.1941 9.4153 11.8153 12.1367 12.2889 12.2917 13.0630 13.1053 13.4638 13.5475 13.8350 13.8735 k = 0.4058 0.4518-0.0000 ( 4952 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8667 -11.8659 -11.8266 -11.8258 -11.5184 -11.5176 -11.4787 -11.4784 -11.4470 -11.4470 -11.4196 -11.4186 -0.6178 -0.6071 -0.5255 -0.5175 4.5279 4.6334 4.6723 4.7094 4.8824 4.9809 4.9880 5.0284 5.0763 5.1747 5.3872 5.4400 5.7607 5.7829 6.1091 6.3370 6.3941 6.4094 6.4715 6.4973 6.5253 6.6863 6.7996 6.9352 7.0722 7.4106 8.2551 8.4344 8.5205 8.8422 9.1775 9.3920 11.8754 12.2194 12.3355 12.3403 13.0441 13.0867 13.4547 13.5393 13.8340 13.8419 k = 0.3986 0.4644-0.0000 ( 4956 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8668 -11.8659 -11.8267 -11.8259 -11.5184 -11.5176 -11.4789 -11.4786 -11.4472 -11.4471 -11.4197 -11.4187 -0.6112 -0.5995 -0.5238 -0.5154 4.5417 4.6457 4.6993 4.7182 4.8856 4.9780 4.9931 5.0316 5.0817 5.1752 5.3901 5.4355 5.7357 5.7571 6.0994 6.3355 6.3897 6.4039 6.4708 6.4982 6.5123 6.6835 6.8085 6.9433 7.0173 7.3455 8.2812 8.4358 8.5145 8.8267 9.1619 9.3656 11.9305 12.2943 12.3858 12.3896 13.0228 13.0656 13.4463 13.5319 13.7939 13.8331 k = 0.3913 0.4769-0.0000 ( 4956 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8668 -11.8660 -11.8267 -11.8259 -11.5183 -11.5176 -11.4791 -11.4788 -11.4474 -11.4473 -11.4198 -11.4189 -0.6044 -0.5917 -0.5224 -0.5138 4.5539 4.6549 4.7253 4.7292 4.8921 4.9740 4.9993 5.0362 5.0878 5.1754 5.3944 5.4305 5.7097 5.7294 6.0898 6.3292 6.3826 6.4020 6.4668 6.4989 6.5058 6.6806 6.8177 6.9504 6.9663 7.2846 8.3075 8.4398 8.5124 8.8090 9.1474 9.3364 11.9804 12.3587 12.4386 12.4413 12.9990 13.0422 13.4391 13.5251 13.7543 13.8126 k = 0.3841 0.4895-0.0000 ( 4954 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8668 -11.8660 -11.8268 -11.8260 -11.5182 -11.5175 -11.4793 -11.4790 -11.4475 -11.4474 -11.4199 -11.4190 -0.5976 -0.5838 -0.5215 -0.5127 4.5643 4.6631 4.7300 4.7591 4.9019 4.9694 5.0066 5.0417 5.0947 5.1751 5.4001 5.4253 5.6831 5.6998 6.0805 6.3193 6.3721 6.4034 6.4595 6.4996 6.5069 6.6771 6.8272 6.9201 6.9563 7.2290 8.3331 8.4461 8.5144 8.7894 9.1343 9.3050 12.0245 12.4127 12.4863 12.5008 12.9724 13.0167 13.4339 13.5187 13.7156 13.7909 k = 0.3768 0.5020-0.0000 ( 4952 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8667 -11.8660 -11.8268 -11.8261 -11.5181 -11.5175 -11.4795 -11.4793 -11.4476 -11.4475 -11.4199 -11.4192 -0.5908 -0.5758 -0.5210 -0.5123 4.5729 4.6709 4.7321 4.7873 4.9139 4.9649 5.0158 5.0476 5.1021 5.1744 5.4075 5.4207 5.6561 5.6685 6.0717 6.3075 6.3584 6.4066 6.4520 6.5001 6.5131 6.6728 6.8367 6.8799 6.9607 7.1790 8.3574 8.4543 8.5207 8.7679 9.1228 9.2718 12.0629 12.4588 12.5319 12.5606 12.9431 12.9898 13.4314 13.5124 13.6785 13.7729 k = 0.3696 0.5146-0.0000 ( 4956 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8667 -11.8661 -11.8268 -11.8262 -11.5181 -11.5175 -11.4796 -11.4795 -11.4477 -11.4476 -11.4200 -11.4193 -0.5841 -0.5678 -0.5212 -0.5126 4.5797 4.6786 4.7320 4.8123 4.9265 4.9610 5.0276 5.0534 5.1096 5.1731 5.4167 5.4177 5.6289 5.6360 6.0635 6.2958 6.3426 6.4107 6.4456 6.5005 6.5226 6.6671 6.8386 6.8540 6.9631 7.1354 8.3800 8.4639 8.5310 8.7452 9.1132 9.2378 12.0954 12.4995 12.5746 12.6172 12.9113 12.9618 13.4323 13.5058 13.6434 13.7604 k = 0.3623 0.5271-0.0000 ( 4940 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8666 -11.8661 -11.8268 -11.8263 -11.5180 -11.5174 -11.4798 -11.4796 -11.4478 -11.4477 -11.4200 -11.4194 -0.5776 -0.5598 -0.5219 -0.5138 4.5850 4.6860 4.7301 4.8333 4.9379 4.9579 5.0423 5.0589 5.1162 5.1710 5.4176 5.4277 5.6020 5.6028 6.0562 6.2855 6.3261 6.4150 6.4406 6.5007 6.5345 6.6590 6.8153 6.8611 6.9628 7.0990 8.4007 8.4739 8.5443 8.7218 9.1060 9.2041 12.1218 12.5360 12.6139 12.6687 12.8776 12.9335 13.4370 13.4989 13.6109 13.7543 k = 0.3551 0.5397-0.0000 ( 4946 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8666 -11.8662 -11.8268 -11.8264 -11.5179 -11.5175 -11.4799 -11.4797 -11.4479 -11.4478 -11.4200 -11.4195 -0.5716 -0.5520 -0.5233 -0.5160 4.5888 4.6933 4.7267 4.8494 4.9468 4.9559 5.0598 5.0636 5.1206 5.1681 5.4220 5.4405 5.5699 5.5757 6.0500 6.2777 6.3103 6.4190 6.4365 6.5008 6.5482 6.6478 6.7960 6.8727 6.9584 7.0710 8.4200 8.4827 8.5589 8.6989 9.1015 9.1721 12.1423 12.5681 12.6494 12.7132 12.8434 12.9054 13.4455 13.4920 13.5815 13.7549 k = 0.3478 0.5522-0.0000 ( 4944 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8666 -11.8663 -11.8267 -11.8265 -11.5179 -11.5176 -11.4799 -11.4798 -11.4479 -11.4478 -11.4199 -11.4196 -0.5665 -0.5444 -0.5251 -0.5193 4.5913 4.7001 4.7225 4.8603 4.9526 4.9552 5.0675 5.0788 5.1213 5.1643 5.4319 5.4546 5.5390 5.5508 6.0452 6.2734 6.2963 6.4227 6.4331 6.5007 6.5636 6.6334 6.7838 6.8857 6.9485 7.0525 8.4386 8.4880 8.5724 8.6789 9.1002 9.1438 12.1567 12.5952 12.6807 12.7462 12.8141 12.8782 13.4569 13.4855 13.5563 13.7616 k = 0.3406 0.5648-0.0000 ( 4938 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8665 -11.8663 -11.8267 -11.8265 -11.5178 -11.5176 -11.4800 -11.4799 -11.4480 -11.4479 -11.4198 -11.4197 -0.5627 -0.5370 -0.5269 -0.5237 4.5927 4.7065 4.7176 4.8664 4.9554 4.9556 5.0701 5.0970 5.1176 5.1601 5.4472 5.4667 5.5148 5.5282 6.0422 6.2730 6.2850 6.4257 6.4302 6.5006 6.5804 6.6164 6.7776 6.9002 6.9339 7.0432 8.4568 8.4864 8.5821 8.6649 9.1024 9.1217 12.1652 12.6155 12.7074 12.7488 12.8106 12.8527 13.4690 13.4801 13.5374 13.7727 k = 0.3333 0.5774-0.0000 ( 4938 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8664 -11.8664 -11.8266 -11.8266 -11.5177 -11.5177 -11.4800 -11.4799 -11.4480 -11.4479 -11.4198 -11.4198 -0.5611 -0.5315 -0.5280 -0.5280 4.5932 4.7123 4.7123 4.8682 4.9561 4.9561 5.0712 5.1102 5.1102 5.1576 5.4637 5.4637 5.5115 5.5115 6.0411 6.2770 6.2770 6.4280 6.4280 6.5005 6.5982 6.5982 6.7759 6.9167 6.9167 7.0406 8.4746 8.4746 8.5856 8.6599 9.1084 9.1084 12.1680 12.6241 12.7288 12.7288 12.8300 12.8300 13.4764 13.4764 13.5297 13.7821 k = 0.3333 0.5774-0.0000 ( 4938 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8664 -11.8664 -11.8266 -11.8266 -11.5177 -11.5177 -11.4800 -11.4799 -11.4480 -11.4479 -11.4198 -11.4198 -0.5611 -0.5315 -0.5280 -0.5280 4.5932 4.7123 4.7123 4.8682 4.9561 4.9561 5.0712 5.1102 5.1102 5.1576 5.4637 5.4637 5.5115 5.5115 6.0411 6.2770 6.2770 6.4280 6.4280 6.5005 6.5982 6.5982 6.7759 6.9167 6.9167 7.0406 8.4746 8.4746 8.5856 8.6599 9.1084 9.1084 12.1680 12.6241 12.7288 12.7288 12.8300 12.8300 13.4764 13.4764 13.5297 13.7821 k = 0.3259 0.5645-0.0000 ( 4942 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8665 -11.8663 -11.8267 -11.8265 -11.5178 -11.5176 -11.4800 -11.4799 -11.4480 -11.4479 -11.4199 -11.4197 -0.5630 -0.5375 -0.5275 -0.5226 4.5928 4.7067 4.7173 4.8666 4.9542 4.9565 5.0696 5.1012 5.1124 5.1617 5.4472 5.4660 5.5148 5.5287 6.0423 6.2727 6.2856 6.4265 6.4295 6.5006 6.5798 6.6174 6.7772 6.8990 6.9359 7.0427 8.4516 8.4908 8.5824 8.6646 9.1062 9.1189 12.1652 12.6129 12.7177 12.7429 12.8120 12.8494 13.4745 13.4751 13.5370 13.7795 k = 0.3185 0.5517-0.0000 ( 4942 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8666 -11.8662 -11.8268 -11.8264 -11.5179 -11.5175 -11.4799 -11.4798 -11.4479 -11.4478 -11.4199 -11.4196 -0.5684 -0.5464 -0.5254 -0.5162 4.5915 4.7010 4.7211 4.8620 4.9501 4.9562 5.0635 5.0944 5.1032 5.1717 5.4319 5.4524 5.5377 5.5523 6.0458 6.2726 6.2984 6.4262 6.4298 6.5008 6.5632 6.6369 6.7802 6.8829 6.9582 7.0485 8.4199 8.4987 8.5779 8.6769 9.1162 9.1340 12.1573 12.5832 12.7193 12.7448 12.8039 12.8635 13.4691 13.4768 13.5521 13.7684 k = 0.3111 0.5389-0.0000 ( 4936 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8667 -11.8661 -11.8268 -11.8263 -11.5180 -11.5174 -11.4798 -11.4797 -11.4478 -11.4477 -11.4200 -11.4195 -0.5768 -0.5570 -0.5223 -0.5103 4.5896 4.6953 4.7232 4.8551 4.9434 4.9548 5.0534 5.0884 5.0913 5.1825 5.4212 5.4364 5.5643 5.5785 6.0516 6.2767 6.3144 6.4277 6.4285 6.5004 6.5513 6.6565 6.7840 6.8695 6.9838 7.0576 8.3824 8.4870 8.5845 8.6940 9.1379 9.1538 12.1448 12.5451 12.7249 12.7343 12.8058 12.8715 13.4662 13.4820 13.5681 13.7559 k = 0.3037 0.5260-0.0000 ( 4940 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8667 -11.8660 -11.8268 -11.8261 -11.5181 -11.5173 -11.4797 -11.4795 -11.4477 -11.4476 -11.4200 -11.4193 -0.5877 -0.5694 -0.5189 -0.5049 4.5870 4.6897 4.7229 4.8466 4.9341 4.9524 5.0422 5.0715 5.0905 5.1921 5.4150 5.4213 5.5896 5.6061 6.0592 6.2844 6.3319 6.4249 6.4322 6.4975 6.5487 6.6758 6.7879 6.8594 7.0132 7.0702 8.3411 8.4556 8.6043 8.7143 9.1694 9.1785 12.1284 12.5040 12.7180 12.7295 12.8108 12.8733 13.4675 13.4911 13.5828 13.7443 k = 0.2963 0.5132-0.0000 ( 4934 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8668 -11.8659 -11.8268 -11.8259 -11.5182 -11.5172 -11.4795 -11.4792 -11.4476 -11.4475 -11.4200 -11.4192 -0.6007 -0.5836 -0.5156 -0.5000 4.5838 4.6842 4.7193 4.8375 4.9218 4.9493 5.0317 5.0547 5.0910 5.2002 5.4075 5.4123 5.6116 5.6343 6.0678 6.2942 6.3483 6.4179 6.4411 6.4920 6.5589 6.6945 6.7916 6.8533 7.0466 7.0868 8.2973 8.4126 8.6312 8.7367 9.2079 9.2089 12.1089 12.4622 12.6999 12.7313 12.8146 12.8693 13.4730 13.5044 13.5964 13.7341 k = 0.2889 0.5004-0.0000 ( 4942 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8669 -11.8658 -11.8268 -11.8257 -11.5184 -11.5171 -11.4792 -11.4789 -11.4474 -11.4474 -11.4201 -11.4190 -0.6159 -0.5996 -0.5127 -0.4959 4.5801 4.6788 4.7119 4.8291 4.9068 4.9457 5.0225 5.0394 5.0924 5.2071 5.3952 5.4122 5.6295 5.6626 6.0768 6.3036 6.3611 6.4072 6.4560 6.4868 6.5822 6.7130 6.7950 6.8517 7.0843 7.1080 8.2522 8.3630 8.6624 8.7609 9.2420 9.2545 12.0869 12.4208 12.6810 12.7292 12.8159 12.8600 13.4817 13.5222 13.6105 13.7253 k = 0.2815 0.4875-0.0000 ( 4946 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8670 -11.8657 -11.8268 -11.8254 -11.5186 -11.5170 -11.4789 -11.4786 -11.4472 -11.4472 -11.4201 -11.4188 -0.6329 -0.6174 -0.5102 -0.4924 4.5759 4.6736 4.7004 4.8224 4.8895 4.9419 5.0146 5.0262 5.0949 5.2133 5.3842 5.4134 5.6431 5.6906 6.0856 6.3105 6.3683 6.3937 6.4769 6.4834 6.6175 6.7329 6.7979 6.8547 7.1263 7.1342 8.2064 8.3094 8.6968 8.7866 9.2804 9.3051 12.0632 12.3802 12.6615 12.7226 12.8140 12.8463 13.4918 13.5446 13.6275 13.7179 k = 0.2741 0.4747-0.0000 ( 4944 PWs) bands (ev): -30.5165 -30.5165 -30.5043 -30.5043 -11.8671 -11.8656 -11.8267 -11.8251 -11.5187 -11.5169 -11.4785 -11.4781 -11.4470 -11.4469 -11.4200 -11.4186 -0.6518 -0.6370 -0.5083 -0.4896 4.5713 4.6685 4.6855 4.8176 4.8709 4.9377 5.0078 5.0151 5.0984 5.2190 5.3743 5.4153 5.6528 5.7180 6.0938 6.3140 6.3656 6.3828 6.4817 6.5013 6.6634 6.7569 6.8003 6.8621 7.1659 7.1728 8.1606 8.2535 8.7341 8.8140 9.3229 9.3596 12.0384 12.3409 12.6413 12.7109 12.8089 12.8295 13.5013 13.5715 13.6491 13.7119 k = 0.2667 0.4619-0.0000 ( 4944 PWs) bands (ev): -30.5166 -30.5166 -30.5043 -30.5043 -11.8672 -11.8654 -11.8266 -11.8248 -11.5189 -11.5168 -11.4781 -11.4777 -11.4467 -11.4466 -11.4200 -11.4184 -0.6726 -0.6584 -0.5069 -0.4875 4.5664 4.6637 4.6683 4.8143 4.8519 4.9329 5.0020 5.0057 5.1031 5.2246 5.3654 5.4173 5.6590 5.7447 6.1013 6.3142 6.3501 6.3795 6.4812 6.5247 6.7179 6.7877 6.8024 6.8742 7.2033 7.2238 8.1155 8.1966 8.7740 8.8431 9.3691 9.4174 12.0129 12.3032 12.6202 12.6933 12.8004 12.8108 13.5086 13.6024 13.6758 13.7075 k = 0.2593 0.4491-0.0000 ( 4944 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8673 -11.8653 -11.8265 -11.8245 -11.5190 -11.5167 -11.4777 -11.4772 -11.4463 -11.4463 -11.4200 -11.4182 -0.6951 -0.6816 -0.5062 -0.4861 4.5613 4.6502 4.6589 4.8119 4.8334 4.9274 4.9971 4.9976 5.1089 5.2303 5.3574 5.4190 5.6623 5.7705 6.1081 6.3118 6.3301 6.3769 6.4814 6.5436 6.7793 6.8041 6.8250 6.8933 7.2465 7.2793 8.0718 8.1398 8.8164 8.8742 9.4188 9.4778 11.9873 12.2674 12.5981 12.6693 12.7884 12.7915 13.5132 13.6356 13.7054 13.7059 k = 0.2519 0.4362-0.0000 ( 4942 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8674 -11.8651 -11.8263 -11.8241 -11.5192 -11.5166 -11.4771 -11.4765 -11.4460 -11.4460 -11.4200 -11.4180 -0.7193 -0.7064 -0.5061 -0.4854 4.5562 4.6322 4.6544 4.8095 4.8158 4.9212 4.9903 4.9933 5.1159 5.2361 5.3500 5.4202 5.6632 5.7955 6.1142 6.3076 6.3087 6.3730 6.4822 6.5565 6.8055 6.8463 6.8605 6.9274 7.2952 7.3394 8.0301 8.0841 8.8613 8.9076 9.4715 9.5405 11.9619 12.2335 12.5748 12.6389 12.7723 12.7731 13.5153 13.6640 13.6943 13.7175 k = 0.2444 0.4234-0.0000 ( 4938 PWs) bands (ev): -30.5167 -30.5167 -30.5044 -30.5044 -11.8675 -11.8650 -11.8261 -11.8236 -11.5193 -11.5164 -11.4765 -11.4759 -11.4456 -11.4456 -11.4199 -11.4178 -0.7451 -0.7328 -0.5066 -0.4855 4.5512 4.6151 4.6499 4.7997 4.8069 4.9144 4.9835 4.9903 5.1238 5.2422 5.3431 5.4209 5.6621 5.8195 6.1196 6.2865 6.3018 6.3679 6.4836 6.5643 6.8067 6.8862 6.9175 6.9825 7.3489 7.4038 7.9911 8.0306 8.9086 8.9432 9.5269 9.6051 11.9371 12.2017 12.5503 12.6025 12.7532 12.7545 13.5153 13.6571 13.6787 13.7447 k = 0.2370 0.4106-0.0000 ( 4934 PWs) bands (ev): -30.5167 -30.5167 -30.5045 -30.5044 -11.8675 -11.8649 -11.8258 -11.8232 -11.5194 -11.5163 -11.4758 -11.4751 -11.4452 -11.4451 -11.4198 -11.4176 -0.7724 -0.7607 -0.5077 -0.4862 4.5465 4.5993 4.6456 4.7849 4.8035 4.9072 4.9771 4.9880 5.1325 5.2484 5.3367 5.4210 5.6595 5.8426 6.1245 6.2637 6.2950 6.3618 6.4855 6.5686 6.8077 6.9066 6.9922 7.0516 7.4070 7.4723 7.9557 7.9806 8.9584 8.9814 9.5848 9.6714 11.9130 12.1721 12.5245 12.5611 12.7328 12.7339 13.5137 13.6236 13.6794 13.7381 k = 0.2296 0.3977-0.0000 ( 4944 PWs) bands (ev): -30.5167 -30.5167 -30.5045 -30.5045 -11.8677 -11.8648 -11.8255 -11.8227 -11.5196 -11.5162 -11.4752 -11.4744 -11.4448 -11.4447 -11.4198 -11.4174 -0.8011 -0.7900 -0.5095 -0.4877 4.5423 4.5852 4.6415 4.7717 4.7991 4.9000 4.9708 4.9864 5.1417 5.2547 5.3307 5.4206 5.6555 5.8647 6.1288 6.2404 6.2872 6.3548 6.4879 6.5707 6.8084 6.9259 7.0695 7.1283 7.4677 7.5445 7.9251 7.9363 9.0105 9.0222 9.6447 9.7390 11.8899 12.1448 12.4974 12.5156 12.7083 12.7141 13.5108 13.5915 13.6783 13.7239 k = 0.2222 0.3849-0.0000 ( 4940 PWs) bands (ev): -30.5168 -30.5168 -30.5045 -30.5045 -11.8677 -11.8647 -11.8252 -11.8222 -11.5196 -11.5161 -11.4744 -11.4736 -11.4443 -11.4442 -11.4197 -11.4172 -0.8310 -0.8206 -0.5119 -0.4899 4.5387 4.5729 4.6374 4.7599 4.7936 4.8930 4.9647 4.9853 5.1511 5.2611 5.3250 5.4197 5.6505 5.8859 6.1325 6.2166 6.2787 6.3470 6.4909 6.5715 6.8087 6.9455 7.1491 7.2096 7.5279 7.6189 7.9010 7.9015 9.0649 9.0656 9.7065 9.8079 11.8678 12.1198 12.4667 12.4691 12.6812 12.6936 13.5070 13.5616 13.6769 13.7082 k = 0.2148 0.3721-0.0000 ( 4939 PWs) bands (ev): -30.5168 -30.5168 -30.5046 -30.5046 -11.8678 -11.8646 -11.8248 -11.8216 -11.5197 -11.5160 -11.4736 -11.4728 -11.4438 -11.4437 -11.4196 -11.4169 -0.8620 -0.8522 -0.5148 -0.4927 4.5358 4.5625 4.6335 4.7494 4.7868 4.8864 4.9584 4.9847 5.1603 5.2674 5.3197 5.4183 5.6447 5.9061 6.1358 6.1924 6.2695 6.3386 6.4947 6.5717 6.8087 6.9660 7.2305 7.2936 7.5808 7.6925 7.8833 7.8870 9.1118 9.1217 9.7699 9.8779 11.8469 12.0971 12.4154 12.4397 12.6517 12.6719 13.5027 13.5340 13.6759 13.6935 k = 0.2074 0.3592-0.0000 ( 4947 PWs) bands (ev): -30.5169 -30.5169 -30.5046 -30.5046 -11.8679 -11.8645 -11.8244 -11.8211 -11.5198 -11.5159 -11.4728 -11.4718 -11.4433 -11.4432 -11.4195 -11.4168 -0.8940 -0.8848 -0.5183 -0.4961 4.5337 4.5539 4.6296 4.7401 4.7787 4.8803 4.9520 4.9845 5.1690 5.2736 5.3146 5.4165 5.6382 5.9253 6.1386 6.1678 6.2599 6.3297 6.4991 6.5716 6.8080 6.9871 7.3133 7.3794 7.6159 7.7553 7.8929 7.8937 9.1608 9.1807 9.8346 9.9487 11.8272 12.0766 12.3623 12.4093 12.6203 12.6490 13.4981 13.5085 13.6758 13.6804 k = 0.2000 0.3464-0.0000 ( 4941 PWs) bands (ev): -30.5169 -30.5169 -30.5047 -30.5046 -11.8679 -11.8644 -11.8240 -11.8205 -11.5199 -11.5158 -11.4718 -11.4709 -11.4427 -11.4426 -11.4194 -11.4165 -0.9267 -0.9181 -0.5222 -0.5000 4.5325 4.5472 4.6258 4.7320 4.7696 4.8747 4.9455 4.9848 5.1769 5.2796 5.3099 5.4144 5.6313 5.9433 6.1411 6.1428 6.2500 6.3202 6.5044 6.5713 6.8067 7.0085 7.3972 7.4661 7.6279 7.7903 7.9362 7.9383 9.2123 9.2419 9.9005 10.0202 11.8086 12.0582 12.3083 12.3783 12.5870 12.6246 13.4848 13.4935 13.6694 13.6769 k = 0.1926 0.3336-0.0000 ( 4945 PWs) bands (ev): -30.5170 -30.5170 -30.5047 -30.5047 -11.8680 -11.8644 -11.8235 -11.8199 -11.5200 -11.5157 -11.4709 -11.4699 -11.4422 -11.4420 -11.4194 -11.4164 -0.9601 -0.9521 -0.5266 -0.5045 4.5320 4.5420 4.6220 4.7248 4.7597 4.8695 4.9387 4.9854 5.1836 5.2853 5.3053 5.4121 5.6242 5.9602 6.1174 6.1432 6.2398 6.3105 6.5104 6.5710 6.8046 7.0293 7.4818 7.5517 7.6274 7.8051 8.0055 8.0137 9.2664 9.3052 9.9673 10.0923 11.7911 12.0415 12.2543 12.3469 12.5522 12.5985 13.4623 13.4891 13.6604 13.6796 k = 0.1852 0.3208-0.0000 ( 4951 PWs) bands (ev): -30.5171 -30.5170 -30.5048 -30.5047 -11.8681 -11.8643 -11.8230 -11.8193 -11.5200 -11.5156 -11.4699 -11.4689 -11.4416 -11.4414 -11.4193 -11.4162 -0.9940 -0.9865 -0.5313 -0.5094 4.5323 4.5384 4.6184 4.7186 4.7492 4.8645 4.9317 4.9866 5.1890 5.2906 5.3007 5.4095 5.6172 5.9754 6.0918 6.1449 6.2296 6.3006 6.5170 6.5706 6.8018 7.0485 7.5660 7.6052 7.6567 7.8188 8.0897 8.1017 9.3229 9.3705 10.0349 10.1649 11.7745 12.0258 12.2015 12.3157 12.5158 12.5705 13.4405 13.4853 13.6536 13.6844 k = 0.1778 0.3079-0.0000 ( 4967 PWs) bands (ev): -30.5171 -30.5171 -30.5048 -30.5048 -11.8682 -11.8643 -11.8225 -11.8187 -11.5201 -11.5156 -11.4689 -11.4679 -11.4410 -11.4408 -11.4192 -11.4160 -1.0282 -1.0212 -0.5364 -0.5147 4.5331 4.5360 4.6149 4.7133 4.7384 4.8596 4.9245 4.9883 5.1930 5.2956 5.2959 5.4068 5.6103 5.9883 6.0668 6.1464 6.2194 6.2906 6.5243 6.5703 6.7983 7.0645 7.6087 7.6479 7.7415 7.8404 8.1822 8.1950 9.3815 9.4377 10.1033 10.2380 11.7587 12.0095 12.1519 12.2852 12.4781 12.5404 13.4186 13.4820 13.6489 13.6915 k = 0.1704 0.2951-0.0000 ( 4963 PWs) bands (ev): -30.5172 -30.5172 -30.5049 -30.5049 -11.8682 -11.8643 -11.8220 -11.8180 -11.5200 -11.5155 -11.4679 -11.4669 -11.4404 -11.4402 -11.4191 -11.4158 -1.0624 -1.0560 -0.5418 -0.5204 4.5344 4.5346 4.6117 4.7088 4.7274 4.8548 4.9170 4.9906 5.1958 5.2905 5.3001 5.4040 5.6039 5.9956 6.0455 6.1476 6.2093 6.2807 6.5319 6.5699 6.7942 7.0761 7.6154 7.7236 7.8327 7.8761 8.2794 8.2910 9.4422 9.5067 10.1723 10.3114 11.7435 11.9896 12.1088 12.2560 12.4388 12.5079 13.3955 13.4796 13.6462 13.7009 k = 0.1630 0.2823-0.0000 ( 4959 PWs) bands (ev): -30.5173 -30.5172 -30.5049 -30.5049 -11.8682 -11.8642 -11.8214 -11.8174 -11.5200 -11.5153 -11.4668 -11.4658 -11.4397 -11.4395 -11.4190 -11.4157 -1.0966 -1.0906 -0.5474 -0.5264 4.5341 4.5358 4.6088 4.7050 4.7166 4.8499 4.9093 4.9934 5.1976 5.2842 5.3043 5.4012 5.5981 5.9879 6.0374 6.1486 6.1996 6.2710 6.5396 6.5694 6.7899 7.0824 7.6322 7.7880 7.9260 7.9319 8.3790 8.3882 9.5044 9.5774 10.2420 10.3853 11.7285 11.9621 12.0768 12.2289 12.3978 12.4726 13.3702 13.4780 13.6452 13.7079 k = 0.1556 0.2694-0.0000 ( 4963 PWs) bands (ev): -30.5173 -30.5173 -30.5050 -30.5050 -11.8682 -11.8642 -11.8208 -11.8168 -11.5199 -11.5153 -11.4657 -11.4648 -11.4391 -11.4389 -11.4189 -11.4155 -1.1306 -1.1251 -0.5532 -0.5326 4.5340 4.5371 4.6065 4.7020 4.7061 4.8450 4.9014 4.9968 5.1984 5.2766 5.3080 5.3983 5.5930 5.9653 6.0423 6.1493 6.1902 6.2617 6.5472 6.5688 6.7857 7.0833 7.6604 7.8421 8.0070 8.0211 8.4796 8.4857 9.5680 9.6496 10.3124 10.4596 11.7134 11.9255 12.0573 12.2044 12.3549 12.4343 13.3410 13.4770 13.6338 13.6609 k = 0.1481 0.2566-0.0000 ( 4963 PWs) bands (ev): -30.5174 -30.5174 -30.5050 -30.5050 -11.8683 -11.8643 -11.8202 -11.8162 -11.5199 -11.5152 -11.4646 -11.4637 -11.4384 -11.4382 -11.4187 -11.4153 -1.1641 -1.1591 -0.5591 -0.5391 4.5342 4.5381 4.6049 4.6961 4.6997 4.8398 4.8934 5.0009 5.1987 5.2675 5.3114 5.3955 5.5887 5.9376 6.0507 6.1498 6.1814 6.2527 6.5543 6.5681 6.7819 7.0793 7.6998 7.8928 8.0945 8.1177 8.5798 8.5825 9.6326 9.7232 10.3838 10.5345 11.6978 11.8834 12.0468 12.1832 12.3098 12.3924 13.3060 13.4761 13.5480 13.5910 k = 0.1407 0.2438-0.0000 ( 4963 PWs) bands (ev): -30.5174 -30.5174 -30.5051 -30.5051 -11.8682 -11.8643 -11.8196 -11.8156 -11.5198 -11.5152 -11.4635 -11.4626 -11.4377 -11.4375 -11.4186 -11.4152 -1.1971 -1.1925 -0.5651 -0.5456 4.5344 4.5383 4.6042 4.6869 4.6981 4.8346 4.8854 5.0055 5.1986 5.2569 5.3144 5.3928 5.5851 5.9079 6.0593 6.1499 6.1732 6.2443 6.5605 6.5673 6.7790 7.0716 7.7494 7.9455 8.1889 8.2158 8.6779 8.6786 9.6977 9.7980 10.4562 10.6101 11.6814 11.8398 12.0412 12.1657 12.2623 12.3469 13.2628 13.4486 13.4789 13.5160 k = 0.1333 0.2309-0.0000 ( 4963 PWs) bands (ev): -30.5175 -30.5175 -30.5051 -30.5051 -11.8682 -11.8643 -11.8190 -11.8150 -11.5197 -11.5152 -11.4624 -11.4616 -11.4370 -11.4369 -11.4185 -11.4151 -1.2294 -1.2251 -0.5711 -0.5523 4.5343 4.5377 4.6046 4.6785 4.6969 4.8291 4.8775 5.0108 5.1981 5.2452 5.3170 5.3902 5.5822 5.8773 6.0674 6.1494 6.1661 6.2364 6.5656 6.5664 6.7772 7.0614 7.8080 8.0022 8.2873 8.3153 8.7712 8.7748 9.7630 9.8738 10.5300 10.6866 11.6638 11.7969 12.0374 12.1523 12.2121 12.2976 13.2096 13.3549 13.4470 13.4752 k = 0.1259 0.2181-0.0000 ( 4955 PWs) bands (ev): -30.5176 -30.5175 -30.5052 -30.5051 -11.8682 -11.8644 -11.8183 -11.8144 -11.5195 -11.5151 -11.4613 -11.4605 -11.4363 -11.4362 -11.4184 -11.4149 -1.2608 -1.2569 -0.5770 -0.5589 4.5338 4.5362 4.6061 4.6710 4.6963 4.8236 4.8698 5.0166 5.1966 5.2329 5.3192 5.3878 5.5797 5.8463 6.0748 6.1478 6.1607 6.2291 6.5654 6.5693 6.7770 7.0497 7.8742 8.0640 8.3886 8.4161 8.8618 8.8677 9.8281 9.9502 10.6054 10.7642 11.6445 11.7563 12.0322 12.1428 12.1593 12.2456 13.1463 13.2619 13.3850 13.4706 k = 0.1185 0.2053-0.0000 ( 4951 PWs) bands (ev): -30.5176 -30.5176 -30.5052 -30.5052 -11.8682 -11.8644 -11.8177 -11.8139 -11.5194 -11.5151 -11.4602 -11.4595 -11.4357 -11.4355 -11.4182 -11.4148 -1.2911 -1.2876 -0.5829 -0.5655 4.5326 4.5338 4.6084 4.6647 4.6961 4.8179 4.8624 5.0229 5.1928 5.2223 5.3210 5.3856 5.5776 5.8151 6.0813 6.1444 6.1576 6.2223 6.5642 6.5716 6.7784 7.0373 7.9471 8.1308 8.4919 8.5180 8.9489 8.9563 9.8925 10.0269 10.6827 10.8432 11.6229 11.7189 12.0203 12.1032 12.1382 12.1949 13.0757 13.1729 13.3285 13.4616 k = 0.1111 0.1925-0.0000 ( 4947 PWs) bands (ev): -30.5177 -30.5177 -30.5053 -30.5052 -11.8682 -11.8645 -11.8170 -11.8134 -11.5193 -11.5151 -11.4591 -11.4585 -11.4350 -11.4349 -11.4181 -11.4147 -1.3204 -1.3171 -0.5886 -0.5720 4.5307 4.5308 4.6115 4.6594 4.6963 4.8121 4.8556 5.0296 5.1839 5.2163 5.3223 5.3836 5.5756 5.7840 6.0870 6.1398 6.1562 6.2161 6.5630 6.5725 6.7814 7.0248 8.0254 8.2025 8.5965 8.6208 9.0321 9.0402 9.9560 10.1033 10.7618 10.9236 11.5982 11.6855 11.9916 12.0458 12.1370 12.1543 13.0015 13.0893 13.2746 13.4464 k = 0.1037 0.1796-0.0000 ( 4955 PWs) bands (ev): -30.5177 -30.5177 -30.5053 -30.5053 -11.8681 -11.8646 -11.8164 -11.8129 -11.5192 -11.5151 -11.4581 -11.4575 -11.4344 -11.4343 -11.4179 -11.4146 -1.3483 -1.3454 -0.5942 -0.5785 4.5271 4.5282 4.6150 4.6552 4.6967 4.8062 4.8494 5.0363 5.1704 5.2150 5.3232 5.3817 5.5736 5.7532 6.0919 6.1351 6.1556 6.2105 6.5617 6.5721 6.7859 7.0125 8.1084 8.2786 8.7018 8.7242 9.1111 9.1187 10.0180 10.1786 10.8429 11.0056 11.5692 11.6567 11.9375 11.9879 12.1320 12.1396 12.9274 13.0122 13.2210 13.4232 k = 0.0963 0.1668-0.0000 ( 4963 PWs) bands (ev): -30.5178 -30.5178 -30.5054 -30.5053 -11.8681 -11.8647 -11.8158 -11.8124 -11.5190 -11.5152 -11.4571 -11.4566 -11.4338 -11.4337 -11.4178 -11.4146 -1.3748 -1.3722 -0.5995 -0.5847 4.5232 4.5250 4.6188 4.6519 4.6974 4.8003 4.8440 5.0427 5.1552 5.2164 5.3235 5.3798 5.5714 5.7231 6.0961 6.1307 6.1554 6.2053 6.5604 6.5708 6.7916 7.0008 8.1952 8.3585 8.8072 8.8278 9.1859 9.1917 10.0782 10.2517 10.9253 11.0889 11.5341 11.6331 11.8620 11.9322 12.1245 12.1455 12.8557 12.9420 13.1663 13.3909 k = 0.0889 0.1540-0.0000 ( 4963 PWs) bands (ev): -30.5178 -30.5178 -30.5054 -30.5054 -11.8680 -11.8648 -11.8152 -11.8120 -11.5188 -11.5152 -11.4562 -11.4558 -11.4332 -11.4331 -11.4176 -11.4145 -1.3998 -1.3975 -0.6046 -0.5908 4.5191 4.5212 4.6226 4.6494 4.6983 4.7944 4.8397 5.0478 5.1408 5.2192 5.3233 5.3779 5.5691 5.6940 6.0996 6.1267 6.1554 6.2007 6.5591 6.5688 6.7983 6.9897 8.2849 8.4413 8.9118 8.9312 9.2567 9.2594 10.1359 10.3213 11.0080 11.1730 11.4913 11.6145 11.7745 11.8820 12.1248 12.1544 12.7881 12.8787 13.1099 13.3485 k = 0.0815 0.1411-0.0000 ( 4971 PWs) bands (ev): -30.5179 -30.5179 -30.5055 -30.5054 -11.8680 -11.8650 -11.8147 -11.8117 -11.5187 -11.5153 -11.4553 -11.4550 -11.4326 -11.4326 -11.4174 -11.4145 -1.4233 -1.4212 -0.6093 -0.5965 4.5149 4.5172 4.6264 4.6475 4.6994 4.7885 4.8365 5.0497 5.1297 5.2230 5.3226 5.3756 5.5664 5.6662 6.1025 6.1233 6.1556 6.1965 6.5578 6.5663 6.8057 6.9792 8.3766 8.5263 9.0146 9.0338 9.3222 9.3245 10.1906 10.3857 11.0876 11.2566 11.4412 11.5945 11.6878 11.8408 12.1291 12.1661 12.7256 12.8218 13.0518 13.2958 k = 0.0741 0.1283-0.0000 ( 4973 PWs) bands (ev): -30.5179 -30.5179 -30.5055 -30.5055 -11.8679 -11.8651 -11.8141 -11.8113 -11.5185 -11.5154 -11.4545 -11.4542 -11.4321 -11.4321 -11.4172 -11.4145 -1.4449 -1.4431 -0.6137 -0.6019 4.5109 4.5130 4.6299 4.6461 4.7006 4.7826 4.8346 5.0461 5.1246 5.2275 5.3214 5.3727 5.5635 5.6401 6.1049 6.1204 6.1558 6.1927 6.5565 6.5636 6.8136 6.9694 8.4691 8.6120 9.1143 9.1349 9.3810 9.3906 10.2413 10.4428 11.1535 11.3341 11.3933 11.5415 11.6426 11.8109 12.1364 12.1804 12.6686 12.7707 12.9924 13.2329 k = 0.0667 0.1155-0.0000 ( 4981 PWs) bands (ev): -30.5180 -30.5180 -30.5055 -30.5055 -11.8678 -11.8652 -11.8137 -11.8111 -11.5183 -11.5154 -11.4537 -11.4535 -11.4316 -11.4316 -11.4171 -11.4145 -1.4648 -1.4632 -0.6178 -0.6070 4.5070 4.5087 4.6330 4.6450 4.7020 4.7768 4.8341 5.0363 5.1265 5.2326 5.3197 5.3687 5.5603 5.6161 6.1068 6.1181 6.1562 6.1892 6.5553 6.5609 6.8217 6.9602 8.5614 8.6970 9.2093 9.2334 9.4373 9.4568 10.2871 10.4907 11.1712 11.3659 11.3823 11.4910 11.6449 11.7928 12.1466 12.1971 12.6176 12.7243 12.9320 13.1601 k = 0.0593 0.1026-0.0000 ( 4991 PWs) bands (ev): -30.5180 -30.5180 -30.5056 -30.5055 -11.8677 -11.8654 -11.8132 -11.8108 -11.5182 -11.5156 -11.4530 -11.4529 -11.4312 -11.4312 -11.4169 -11.4145 -1.4828 -1.4814 -0.6214 -0.6118 4.5032 4.5047 4.6357 4.6443 4.7037 4.7710 4.8350 5.0221 5.1337 5.2381 5.3176 5.3633 5.5568 5.5946 6.1083 6.1161 6.1568 6.1859 6.5541 6.5584 6.8299 6.9515 8.6519 8.7793 9.2984 9.3277 9.4932 9.5251 10.3270 10.5276 11.1193 11.2855 11.4310 11.5384 11.6666 11.7860 12.1607 12.2164 12.5728 12.6817 12.8708 13.0790 k = 0.0519 0.0898-0.0000 ( 4983 PWs) bands (ev): -30.5181 -30.5181 -30.5056 -30.5056 -11.8676 -11.8656 -11.8127 -11.8106 -11.5180 -11.5156 -11.4524 -11.4523 -11.4308 -11.4308 -11.4167 -11.4145 -1.4988 -1.4976 -0.6245 -0.6161 4.4998 4.5009 4.6379 4.6437 4.7057 4.7654 4.8375 5.0058 5.1442 5.2440 5.3151 5.3561 5.5531 5.5762 6.1095 6.1147 6.1575 6.1830 6.5530 6.5560 6.8382 6.9433 8.7388 8.8566 9.3812 9.4157 9.5512 9.5965 10.3600 10.5523 11.0348 11.1734 11.5036 11.6081 11.7018 11.7903 12.1802 12.2383 12.5344 12.6420 12.8091 12.9916 k = 0.0444 0.0770-0.0000 ( 4983 PWs) bands (ev): -30.5181 -30.5181 -30.5056 -30.5056 -11.8675 -11.8657 -11.8122 -11.8104 -11.5178 -11.5158 -11.4518 -11.4518 -11.4305 -11.4305 -11.4164 -11.4146 -1.5128 -1.5118 -0.6272 -0.6199 4.4967 4.4975 4.6396 4.6432 4.7080 4.7598 4.8415 4.9887 5.1569 5.2502 5.3121 5.3468 5.5493 5.5611 6.1103 6.1135 6.1583 6.1802 6.5520 6.5540 6.8464 6.9355 8.8203 8.9262 9.4589 9.4952 9.6140 9.6702 10.3856 10.5645 10.9395 11.0564 11.5783 11.6732 11.7483 11.8060 12.2068 12.2630 12.5028 12.6043 12.7468 12.9011 k = 0.0370 0.0642-0.0000 ( 4997 PWs) bands (ev): -30.5181 -30.5181 -30.5056 -30.5056 -11.8674 -11.8659 -11.8119 -11.8104 -11.5176 -11.5159 -11.4514 -11.4514 -11.4302 -11.4302 -11.4163 -11.4147 -1.5248 -1.5239 -0.6295 -0.6234 4.4940 4.4945 4.6408 4.6429 4.7107 4.7543 4.8470 4.9715 5.1711 5.2564 5.3088 5.3353 5.5455 5.5494 6.1109 6.1127 6.1594 6.1777 6.5511 6.5523 6.8544 6.9279 8.8940 8.9856 9.5334 9.5659 9.6817 9.7432 10.4038 10.5649 10.8417 10.9401 11.6457 11.7277 11.8033 11.8349 12.2419 12.2903 12.4784 12.5679 12.6840 12.8108 k = 0.0296 0.0513-0.0000 ( 5001 PWs) bands (ev): -30.5181 -30.5181 -30.5057 -30.5057 -11.8673 -11.8661 -11.8115 -11.8103 -11.5174 -11.5161 -11.4510 -11.4510 -11.4299 -11.4299 -11.4161 -11.4148 -1.5346 -1.5339 -0.6312 -0.6263 4.4917 4.4920 4.6416 4.6427 4.7137 4.7490 4.8540 4.9547 5.1865 5.2627 5.3050 5.3217 5.5409 5.5418 6.1112 6.1122 6.1605 6.1752 6.5503 6.5509 6.8623 6.9206 8.9580 9.0331 9.6059 9.6300 9.7507 9.8114 10.4158 10.5548 10.7468 10.8282 11.7000 11.7690 11.8634 11.8779 12.2844 12.3197 12.4616 12.5321 12.6215 12.7244 k = 0.0222 0.0385-0.0000 ( 5017 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8672 -11.8663 -11.8113 -11.8103 -11.5173 -11.5162 -11.4508 -11.4508 -11.4298 -11.4298 -11.4159 -11.4149 -1.5423 -1.5418 -0.6325 -0.6288 4.4899 4.4900 4.6421 4.6425 4.7172 4.7438 4.8623 4.9384 5.2027 5.2688 5.3009 5.3064 5.5353 5.5384 6.1114 6.1118 6.1619 6.1729 6.5497 6.5499 6.8700 6.9135 9.0106 9.0676 9.6749 9.6888 9.8159 9.8698 10.4239 10.5363 10.6607 10.7249 11.7404 11.7960 11.9251 11.9309 12.3300 12.3499 12.4520 12.4968 12.5614 12.6458 k = 0.0148 0.0257-0.0000 ( 5029 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8671 -11.8665 -11.8110 -11.8104 -11.5171 -11.5164 -11.4506 -11.4506 -11.4296 -11.4296 -11.4157 -11.4150 -1.5478 -1.5475 -0.6332 -0.6307 4.4886 4.4886 4.6423 4.6424 4.7210 4.7388 4.8720 4.9230 5.2196 5.2749 5.2898 5.2964 5.5322 5.5354 6.1115 6.1116 6.1634 6.1708 6.5492 6.5492 6.8775 6.9064 9.0511 9.0891 9.7349 9.7404 9.8720 9.9131 10.4318 10.5122 10.5908 10.6363 11.7701 11.8098 11.9826 11.9845 12.3708 12.3783 12.4473 12.4632 12.5102 12.5797 k = 0.0074 0.0128-0.0000 ( 5025 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8669 -11.8666 -11.8108 -11.8105 -11.5169 -11.5166 -11.4505 -11.4505 -11.4295 -11.4295 -11.4155 -11.4152 -1.5511 -1.5509 -0.6334 -0.6321 4.4877 4.4877 4.6424 4.6424 4.7251 4.7340 4.8830 4.9086 5.2371 5.2725 5.2807 5.2915 5.5310 5.5330 6.1115 6.1115 6.1650 6.1687 6.5488 6.5489 6.8849 6.8993 9.0790 9.0980 9.7772 9.7780 9.9139 9.9364 10.4436 10.4859 10.5472 10.5712 11.7917 11.8126 12.0262 12.0265 12.3968 12.3992 12.4378 12.4378 12.4863 12.5299 k = 0.0000 0.0000 0.0000 ( 4997 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8667 -11.8667 -11.8105 -11.8105 -11.5167 -11.5167 -11.4503 -11.4503 -11.4294 -11.4294 -11.4153 -11.4153 -1.5520 -1.5520 -0.6329 -0.6329 4.4875 4.4875 4.6424 4.6424 4.7294 4.7294 4.8952 4.8952 5.2548 5.2548 5.2863 5.2863 5.5314 5.5314 6.1115 6.1115 6.1668 6.1668 6.5487 6.5487 6.8921 6.8921 9.0946 9.0946 9.7925 9.7925 9.9366 9.9366 10.4619 10.4619 10.5396 10.5396 11.8061 11.8061 12.0432 12.0432 12.4042 12.4042 12.4303 12.4303 12.4976 12.4976 k = 0.0000 0.0000 0.0000 ( 4997 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8667 -11.8667 -11.8105 -11.8105 -11.5167 -11.5167 -11.4503 -11.4503 -11.4294 -11.4294 -11.4153 -11.4153 -1.5520 -1.5520 -0.6329 -0.6329 4.4875 4.4875 4.6424 4.6424 4.7294 4.7294 4.8952 4.8952 5.2548 5.2548 5.2863 5.2863 5.5314 5.5314 6.1115 6.1115 6.1668 6.1668 6.5487 6.5487 6.8921 6.8921 9.0946 9.0946 9.7925 9.7925 9.9366 9.9366 10.4619 10.4619 10.5396 10.5396 11.8061 11.8061 12.0432 12.0432 12.4042 12.4042 12.4303 12.4303 12.4976 12.4976 k = 0.0000 0.0000 0.0146 ( 5027 PWs) bands (ev): -30.5182 -30.5182 -30.5057 -30.5057 -11.8667 -11.8667 -11.8107 -11.8107 -11.5167 -11.5167 -11.4504 -11.4504 -11.4295 -11.4295 -11.4155 -11.4155 -1.5511 -1.5511 -0.6344 -0.6344 4.4876 4.4876 4.6422 4.6422 4.7295 4.7295 4.8940 4.8940 5.2510 5.2510 5.2857 5.2857 5.5373 5.5373 6.1120 6.1120 6.1665 6.1665 6.5480 6.5480 6.8953 6.8953 9.0963 9.0963 9.7946 9.7946 9.9279 9.9279 10.4645 10.4645 10.5404 10.5404 11.8007 11.8007 12.0375 12.0375 12.4050 12.4050 12.4312 12.4312 12.5047 12.5047 k = 0.0000 0.0000 0.0292 ( 5027 PWs) bands (ev): -30.5181 -30.5181 -30.5058 -30.5058 -11.8664 -11.8664 -11.8108 -11.8108 -11.5164 -11.5164 -11.4503 -11.4503 -11.4296 -11.4296 -11.4160 -11.4160 -1.5480 -1.5480 -0.6385 -0.6385 4.4881 4.4881 4.6415 4.6415 4.7295 4.7295 4.8904 4.8904 5.2407 5.2407 5.2839 5.2839 5.5539 5.5539 6.1135 6.1135 6.1657 6.1657 6.5460 6.5460 6.9047 6.9047 9.1014 9.1014 9.8010 9.8010 9.9031 9.9031 10.4717 10.4717 10.5431 10.5431 11.7851 11.7851 12.0209 12.0209 12.4076 12.4076 12.4338 12.4338 12.5254 12.5254 k = 0.0000 0.0000 0.0437 ( 5009 PWs) bands (ev): -30.5181 -30.5181 -30.5058 -30.5058 -11.8658 -11.8658 -11.8110 -11.8110 -11.5158 -11.5158 -11.4502 -11.4502 -11.4297 -11.4297 -11.4168 -11.4168 -1.5429 -1.5429 -0.6453 -0.6453 4.4890 4.4890 4.6404 4.6404 4.7296 4.7296 4.8844 4.8844 5.2264 5.2264 5.2809 5.2809 5.5785 5.5785 6.1159 6.1159 6.1642 6.1642 6.5426 6.5426 6.9204 6.9204 9.1099 9.1099 9.8116 9.8116 9.8645 9.8645 10.4808 10.4808 10.5475 10.5475 11.7611 11.7611 11.9939 11.9939 12.4119 12.4119 12.4384 12.4384 12.5576 12.5576 k = 0.0000 0.0000 0.0583 ( 5010 PWs) bands (ev): -30.5180 -30.5180 -30.5059 -30.5059 -11.8651 -11.8651 -11.8113 -11.8113 -11.5152 -11.5152 -11.4500 -11.4500 -11.4299 -11.4299 -11.4179 -11.4179 -1.5359 -1.5359 -0.6548 -0.6548 4.4902 4.4902 4.6388 4.6388 4.7297 4.7297 4.8763 4.8763 5.2105 5.2105 5.2768 5.2768 5.6084 5.6084 6.1192 6.1192 6.1622 6.1622 6.5379 6.5379 6.9426 6.9426 9.1218 9.1218 9.8147 9.8147 9.8264 9.8264 10.4892 10.4892 10.5537 10.5537 11.7311 11.7311 11.9573 11.9573 12.4180 12.4180 12.4451 12.4451 12.5990 12.5990 k = 0.0000 0.0000 0.0729 ( 5028 PWs) bands (ev): -30.5178 -30.5178 -30.5061 -30.5061 -11.8642 -11.8642 -11.8118 -11.8118 -11.5143 -11.5143 -11.4498 -11.4498 -11.4301 -11.4301 -11.4195 -11.4195 -1.5269 -1.5269 -0.6668 -0.6668 4.4917 4.4917 4.6368 4.6368 4.7298 4.7298 4.8664 4.8664 5.1945 5.1945 5.2715 5.2715 5.6412 5.6412 6.1235 6.1235 6.1597 6.1597 6.5319 6.5319 6.9713 6.9713 9.1369 9.1369 9.7563 9.7563 9.8453 9.8453 10.4944 10.4944 10.5617 10.5617 11.6969 11.6969 11.9121 11.9121 12.4257 12.4257 12.4539 12.4539 12.6469 12.6469 k = 0.0000 0.0000 0.0875 ( 5004 PWs) bands (ev): -30.5176 -30.5176 -30.5062 -30.5062 -11.8630 -11.8630 -11.8122 -11.8122 -11.5133 -11.5133 -11.4495 -11.4495 -11.4304 -11.4304 -11.4211 -11.4211 -1.5159 -1.5159 -0.6813 -0.6813 4.4936 4.4936 4.6343 4.6343 4.7299 4.7299 4.8550 4.8550 5.1796 5.1796 5.2653 5.2653 5.6755 5.6755 6.1288 6.1288 6.1566 6.1566 6.5247 6.5247 7.0066 7.0066 9.1554 9.1554 9.6912 9.6912 9.8683 9.8683 10.4946 10.4946 10.5716 10.5716 11.6605 11.6605 11.8597 11.8597 12.4351 12.4351 12.4650 12.4650 12.6984 12.6984 k = 0.0000 0.0000 0.1020 ( 4980 PWs) bands (ev): -30.5174 -30.5174 -30.5064 -30.5064 -11.8618 -11.8618 -11.8127 -11.8127 -11.5121 -11.5121 -11.4491 -11.4491 -11.4307 -11.4307 -11.4230 -11.4230 -1.5030 -1.5030 -0.6982 -0.6982 4.4958 4.4958 4.6315 4.6315 4.7301 4.7301 4.8427 4.8427 5.1662 5.1662 5.2582 5.2582 5.7100 5.7100 6.1349 6.1349 6.1530 6.1530 6.5163 6.5163 7.0485 7.0485 9.1770 9.1770 9.6209 9.6209 9.8953 9.8953 10.4886 10.4886 10.5833 10.5833 11.6231 11.6231 11.8012 11.8012 12.4462 12.4462 12.4783 12.4783 12.7508 12.7508 k = 0.0000 0.0000 0.1166 ( 4980 PWs) bands (ev): -30.5172 -30.5172 -30.5067 -30.5067 -11.8604 -11.8604 -11.8134 -11.8134 -11.5107 -11.5107 -11.4487 -11.4487 -11.4311 -11.4311 -11.4253 -11.4253 -1.4883 -1.4883 -0.7173 -0.7173 4.4983 4.4983 4.6283 4.6283 4.7302 4.7302 4.8298 4.8298 5.1544 5.1544 5.2502 5.2502 5.7439 5.7439 6.1419 6.1419 6.1489 6.1489 6.5069 6.5069 7.0971 7.0971 9.2019 9.2019 9.5465 9.5465 9.9261 9.9261 10.4756 10.4756 10.5970 10.5970 11.5852 11.5852 11.7376 11.7376 12.4590 12.4590 12.4940 12.4940 12.8009 12.8009 k = 0.0000 0.0000 0.1312 ( 4992 PWs) bands (ev): -30.5169 -30.5169 -30.5069 -30.5069 -11.8589 -11.8589 -11.8141 -11.8141 -11.5091 -11.5091 -11.4483 -11.4483 -11.4315 -11.4315 -11.4278 -11.4278 -1.4718 -1.4718 -0.7386 -0.7386 4.5011 4.5011 4.6247 4.6247 4.7303 4.7303 4.8168 4.8168 5.1444 5.1444 5.2415 5.2415 5.7765 5.7765 6.1443 6.1443 6.1497 6.1497 6.4965 6.4965 7.1521 7.1521 9.2297 9.2297 9.4686 9.4686 9.9607 9.9607 10.4557 10.4557 10.6127 10.6127 11.5473 11.5473 11.6699 11.6699 12.4734 12.4734 12.5119 12.5119 12.8458 12.8458 k = 0.0000 0.0000 0.1458 ( 4992 PWs) bands (ev): -30.5167 -30.5167 -30.5072 -30.5072 -11.8572 -11.8572 -11.8150 -11.8150 -11.5073 -11.5073 -11.4478 -11.4478 -11.4320 -11.4320 -11.4306 -11.4306 -1.4535 -1.4535 -0.7618 -0.7618 4.5042 4.5042 4.6208 4.6208 4.7304 4.7304 4.8041 4.8041 5.1359 5.1359 5.2321 5.2321 5.8074 5.8074 6.1392 6.1392 6.1584 6.1584 6.4852 6.4852 7.2135 7.2135 9.2606 9.2606 9.3878 9.3878 9.9989 9.9989 10.4288 10.4288 10.6304 10.6304 11.5094 11.5094 11.5990 11.5990 12.4894 12.4894 12.5320 12.5320 12.8830 12.8830 k = 0.0000 0.0000 0.1604 ( 4992 PWs) bands (ev): -30.5164 -30.5164 -30.5075 -30.5075 -11.8554 -11.8554 -11.8159 -11.8159 -11.5054 -11.5054 -11.4473 -11.4473 -11.4335 -11.4335 -11.4325 -11.4325 -1.4336 -1.4336 -0.7867 -0.7867 4.5076 4.5076 4.6166 4.6166 4.7304 4.7304 4.7920 4.7920 5.1288 5.1288 5.2223 5.2223 5.8365 5.8365 6.1336 6.1336 6.1678 6.1678 6.4730 6.4730 7.2808 7.2808 9.2943 9.2943 9.3045 9.3045 10.0406 10.0406 10.3957 10.3957 10.6502 10.6502 11.4714 11.4714 11.5257 11.5257 12.5070 12.5070 12.5543 12.5543 12.9109 12.9109 k = 0.0000 0.0000 0.1749 ( 4992 PWs) bands (ev): -30.5160 -30.5160 -30.5078 -30.5078 -11.8535 -11.8535 -11.8170 -11.8170 -11.5032 -11.5032 -11.4468 -11.4468 -11.4367 -11.4367 -11.4330 -11.4330 -1.4120 -1.4120 -0.8133 -0.8133 4.5112 4.5112 4.6122 4.6122 4.7303 4.7303 4.7809 4.7809 5.1231 5.1231 5.2122 5.2122 5.8635 5.8635 6.1276 6.1276 6.1780 6.1780 6.4602 6.4602 7.3537 7.3537 9.2190 9.2190 9.3309 9.3309 10.0857 10.0857 10.3569 10.3569 10.6721 10.6721 11.4329 11.4329 11.4506 11.4506 12.5261 12.5261 12.5788 12.5788 12.9292 12.9292 k = 0.0000 0.0000 0.1895 ( 4974 PWs) bands (ev): -30.5157 -30.5157 -30.5082 -30.5082 -11.8515 -11.8515 -11.8181 -11.8181 -11.5009 -11.5009 -11.4461 -11.4461 -11.4399 -11.4399 -11.4336 -11.4336 -1.3887 -1.3887 -0.8413 -0.8413 4.5151 4.5151 4.6075 4.6075 4.7302 4.7302 4.7708 4.7708 5.1185 5.1185 5.2020 5.2020 5.8885 5.8885 6.1211 6.1211 6.1889 6.1889 6.4467 6.4467 7.4317 7.4317 9.1315 9.1315 9.3701 9.3701 10.1341 10.1341 10.3132 10.3132 10.6962 10.6962 11.3741 11.3741 11.3938 11.3938 12.5467 12.5467 12.6053 12.6053 12.9384 12.9384 k = 0.0000 0.0000 0.2041 ( 4986 PWs) bands (ev): -30.5153 -30.5153 -30.5086 -30.5086 -11.8495 -11.8495 -11.8193 -11.8193 -11.4984 -11.4984 -11.4455 -11.4455 -11.4434 -11.4434 -11.4343 -11.4343 -1.3642 -1.3642 -0.8706 -0.8706 4.5193 4.5193 4.6026 4.6026 4.7301 4.7301 4.7619 4.7619 5.1151 5.1151 5.1916 5.1916 5.9114 5.9114 6.1142 6.1142 6.2005 6.2005 6.4326 6.4326 7.5143 7.5143 9.0420 9.0420 9.4118 9.4118 10.1855 10.1855 10.2654 10.2654 10.7224 10.7224 11.2969 11.2969 11.3537 11.3537 12.5686 12.5686 12.6340 12.6340 12.9395 12.9395 k = 0.0000 0.0000 0.2187 ( 4974 PWs) bands (ev): -30.5149 -30.5149 -30.5089 -30.5089 -11.8475 -11.8475 -11.8206 -11.8206 -11.4958 -11.4958 -11.4469 -11.4469 -11.4448 -11.4448 -11.4349 -11.4349 -1.3382 -1.3382 -0.9009 -0.9009 4.5237 4.5237 4.5975 4.5975 4.7298 4.7298 4.7542 4.7542 5.1128 5.1128 5.1815 5.1815 5.9326 5.9326 6.1068 6.1068 6.2127 6.2127 6.4181 6.4181 7.6010 7.6010 8.9508 8.9508 9.4559 9.4559 10.2143 10.2143 10.2399 10.2399 10.7510 10.7510 11.2193 11.2193 11.3126 11.3126 12.5920 12.5920 12.6647 12.6647 12.9337 12.9337 k = 0.0000 0.0000 0.2333 ( 4962 PWs) bands (ev): -30.5145 -30.5145 -30.5093 -30.5093 -11.8453 -11.8453 -11.8221 -11.8221 -11.4929 -11.4929 -11.4505 -11.4505 -11.4441 -11.4441 -11.4355 -11.4355 -1.3109 -1.3109 -0.9321 -0.9321 4.5283 4.5283 4.5922 4.5922 4.7296 4.7296 4.7477 4.7477 5.1115 5.1115 5.1716 5.1716 5.9520 5.9520 6.0990 6.0990 6.2254 6.2254 6.4033 6.4033 7.6912 7.6912 8.8579 8.8579 9.5023 9.5023 10.1607 10.1607 10.2971 10.2971 10.7817 10.7817 11.1416 11.1416 11.2703 11.2703 12.6166 12.6166 12.6975 12.6975 12.9221 12.9221 k = 0.0000 0.0000 0.2478 ( 4968 PWs) bands (ev): -30.5141 -30.5141 -30.5097 -30.5097 -11.8431 -11.8431 -11.8236 -11.8236 -11.4899 -11.4899 -11.4543 -11.4543 -11.4435 -11.4435 -11.4362 -11.4362 -1.2825 -1.2825 -0.9640 -0.9640 4.5331 4.5331 4.5869 4.5869 4.7293 4.7293 4.7424 4.7424 5.1112 5.1112 5.1621 5.1621 5.9698 5.9698 6.0907 6.0907 6.2387 6.2387 6.3882 6.3882 7.7842 7.7842 8.7634 8.7634 9.5509 9.5509 10.1052 10.1052 10.3570 10.3570 10.8146 10.8146 11.0642 11.0642 11.2272 11.2272 12.6424 12.6424 12.7321 12.7321 12.9056 12.9056 k = 0.0000 0.0000 0.2624 ( 4968 PWs) bands (ev): -30.5137 -30.5137 -30.5102 -30.5102 -11.8410 -11.8410 -11.8253 -11.8253 -11.4867 -11.4867 -11.4580 -11.4580 -11.4428 -11.4428 -11.4369 -11.4369 -1.2531 -1.2531 -0.9963 -0.9963 4.5381 4.5381 4.5814 4.5814 4.7291 4.7291 4.7382 4.7382 5.1120 5.1120 5.1531 5.1531 5.9862 5.9862 6.0818 6.0818 6.2525 6.2525 6.3729 6.3729 7.8796 7.8796 8.6674 8.6674 9.6013 9.6013 10.0485 10.0485 10.4193 10.4193 10.8496 10.8496 10.9874 10.9874 11.1833 11.1833 12.6691 12.6691 12.7687 12.7687 12.8853 12.8853 k = 0.0000 0.0000 0.2770 ( 4962 PWs) bands (ev): -30.5132 -30.5132 -30.5106 -30.5106 -11.8389 -11.8389 -11.8269 -11.8269 -11.4835 -11.4835 -11.4617 -11.4617 -11.4420 -11.4420 -11.4376 -11.4376 -1.2227 -1.2227 -1.0291 -1.0291 4.5432 4.5432 4.5759 4.5759 4.7289 4.7289 4.7350 4.7350 5.1137 5.1137 5.1449 5.1449 6.0014 6.0014 6.0724 6.0724 6.2667 6.2667 6.3574 6.3574 7.9767 7.9767 8.5703 8.5703 9.6536 9.6536 9.9911 9.9911 10.4839 10.4839 10.8866 10.8866 10.9113 10.9113 11.1391 11.1391 12.6966 12.6966 12.8071 12.8071 12.8621 12.8621 k = 0.0000 0.0000 0.2916 ( 4956 PWs) bands (ev): -30.5128 -30.5128 -30.5110 -30.5110 -11.8367 -11.8367 -11.8288 -11.8288 -11.4800 -11.4800 -11.4655 -11.4655 -11.4413 -11.4413 -11.4383 -11.4383 -1.1916 -1.1916 -1.0620 -1.0620 4.5485 4.5485 4.5704 4.5704 4.7290 4.7290 4.7326 4.7326 5.1165 5.1165 5.1374 5.1374 6.0154 6.0154 6.0625 6.0625 6.2813 6.2813 6.3420 6.3420 8.0751 8.0751 8.4721 8.4721 9.7074 9.7074 9.9333 9.9333 10.5508 10.5508 10.8363 10.8363 10.9255 10.9255 11.0948 11.0948 12.7248 12.7248 12.8366 12.8366 12.8473 12.8473 k = 0.0000 0.0000 0.3061 ( 4956 PWs) bands (ev): -30.5124 -30.5124 -30.5115 -30.5115 -11.8346 -11.8346 -11.8306 -11.8306 -11.4765 -11.4765 -11.4692 -11.4692 -11.4406 -11.4406 -11.4391 -11.4391 -1.1598 -1.1598 -1.0948 -1.0948 4.5539 4.5539 4.5648 4.5648 4.7292 4.7292 4.7309 4.7309 5.1203 5.1203 5.1307 5.1307 6.0284 6.0284 6.0519 6.0519 6.2961 6.2961 6.3266 6.3266 8.1743 8.1743 8.3732 8.3732 9.7625 9.7625 9.8758 9.8758 10.6196 10.6196 10.7625 10.7625 10.9660 10.9660 11.0510 11.0510 12.7532 12.7532 12.8096 12.8096 12.8891 12.8891 k = 0.0000 0.0000 0.3207 ( 4938 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8326 -11.8326 -11.8326 -11.8326 -11.4729 -11.4729 -11.4729 -11.4729 -11.4398 -11.4398 -11.4398 -11.4398 -1.1274 -1.1274 -1.1274 -1.1274 4.5593 4.5593 4.5593 4.5593 4.7298 4.7298 4.7298 4.7298 5.1250 5.1250 5.1250 5.1250 6.0405 6.0405 6.0405 6.0405 6.3113 6.3113 6.3113 6.3113 8.2738 8.2738 8.2738 8.2738 9.8187 9.8187 9.8187 9.8187 10.6903 10.6903 10.6903 10.6903 11.0080 11.0080 11.0080 11.0080 12.7817 12.7817 12.7817 12.7817 12.9325 12.9325 k = 0.0000 0.0000 0.3207 ( 4938 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8326 -11.8326 -11.8326 -11.8326 -11.4729 -11.4729 -11.4729 -11.4729 -11.4398 -11.4398 -11.4398 -11.4398 -1.1274 -1.1274 -1.1274 -1.1274 4.5593 4.5593 4.5593 4.5593 4.7298 4.7298 4.7298 4.7298 5.1250 5.1250 5.1250 5.1250 6.0405 6.0405 6.0405 6.0405 6.3113 6.3113 6.3113 6.3113 8.2738 8.2738 8.2738 8.2738 9.8187 9.8187 9.8187 9.8187 10.6903 10.6903 10.6903 10.6903 11.0080 11.0080 11.0080 11.0080 12.7817 12.7817 12.7817 12.7817 12.9325 12.9325 k = 0.0128 0.0074 0.3207 ( 4942 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8328 -11.8328 -11.8324 -11.8324 -11.4731 -11.4731 -11.4727 -11.4727 -11.4398 -11.4398 -11.4398 -11.4398 -1.1268 -1.1268 -1.1265 -1.1265 4.5591 4.5591 4.5591 4.5591 4.7282 4.7282 4.7314 4.7314 5.1253 5.1253 5.1253 5.1253 6.0363 6.0363 6.0448 6.0448 6.3116 6.3116 6.3116 6.3116 8.2690 8.2690 8.2755 8.2755 9.8077 9.8077 9.8189 9.8189 10.6685 10.6685 10.6696 10.6696 11.0231 11.0231 11.0409 11.0409 12.7785 12.7785 12.7855 12.7855 12.9317 12.9317 k = 0.0256 0.0148 0.3207 ( 4954 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8330 -11.8330 -11.8323 -11.8323 -11.4733 -11.4733 -11.4726 -11.4726 -11.4400 -11.4400 -11.4400 -11.4400 -1.1247 -1.1247 -1.1240 -1.1240 4.5585 4.5585 4.5586 4.5586 4.7265 4.7265 4.7329 4.7329 5.1261 5.1261 5.1262 5.1262 6.0322 6.0322 6.0490 6.0490 6.3125 6.3125 6.3126 6.3126 8.2611 8.2611 8.2740 8.2740 9.7864 9.7864 9.8084 9.8084 10.6158 10.6158 10.6210 10.6210 11.0748 11.0748 11.1068 11.1068 12.7754 12.7754 12.7900 12.7900 12.9295 12.9302 k = 0.0385 0.0222 0.3207 ( 4958 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8332 -11.8332 -11.8322 -11.8322 -11.4735 -11.4735 -11.4724 -11.4724 -11.4402 -11.4402 -11.4401 -11.4401 -1.1209 -1.1209 -1.1199 -1.1199 4.5574 4.5574 4.5578 4.5578 4.7247 4.7247 4.7345 4.7345 5.1274 5.1274 5.1275 5.1275 6.0283 6.0283 6.0531 6.0531 6.3140 6.3140 6.3144 6.3144 8.2501 8.2501 8.2691 8.2691 9.7555 9.7555 9.7875 9.7875 10.5506 10.5506 10.5615 10.5615 11.1441 11.1441 11.1881 11.1881 12.7716 12.7716 12.7947 12.7947 12.9269 12.9282 k = 0.0513 0.0296 0.3207 ( 4972 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8335 -11.8335 -11.8322 -11.8322 -11.4737 -11.4737 -11.4723 -11.4723 -11.4404 -11.4404 -11.4404 -11.4404 -1.1157 -1.1157 -1.1143 -1.1143 4.5558 4.5558 4.5565 4.5565 4.7229 4.7229 4.7362 4.7362 5.1293 5.1293 5.1294 5.1294 6.0246 6.0246 6.0570 6.0570 6.3160 6.3160 6.3170 6.3170 8.2357 8.2357 8.2606 8.2606 9.7164 9.7164 9.7575 9.7575 10.4824 10.4824 10.4987 10.4987 11.2207 11.2207 11.2756 11.2756 12.7658 12.7658 12.7984 12.7984 12.9262 12.9272 k = 0.0641 0.0370 0.3207 ( 4974 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8337 -11.8337 -11.8322 -11.8322 -11.4739 -11.4739 -11.4722 -11.4722 -11.4407 -11.4407 -11.4407 -11.4407 -1.1089 -1.1089 -1.1072 -1.1072 4.5535 4.5535 4.5550 4.5550 4.7212 4.7212 4.7382 4.7382 5.1317 5.1317 5.1318 5.1318 6.0212 6.0212 6.0607 6.0607 6.3184 6.3184 6.3204 6.3204 8.2177 8.2177 8.2480 8.2480 9.6707 9.6707 9.7197 9.7197 10.4148 10.4148 10.4357 10.4357 11.2996 11.2996 11.3648 11.3648 12.7579 12.7579 12.8001 12.8001 12.9295 12.9314 k = 0.0769 0.0444 0.3207 ( 4974 PWs) bands (ev): -30.5119 -30.5119 -30.5118 -30.5118 -11.8340 -11.8340 -11.8321 -11.8321 -11.4742 -11.4742 -11.4721 -11.4721 -11.4411 -11.4411 -11.4410 -11.4410 -1.1007 -1.1007 -1.0986 -1.0986 4.5506 4.5506 4.5530 4.5530 4.7196 4.7196 4.7405 4.7405 5.1345 5.1345 5.1346 5.1346 6.0182 6.0182 6.0641 6.0641 6.3212 6.3212 6.3246 6.3246 8.1957 8.1957 8.2311 8.2311 9.6202 9.6202 9.6760 9.6760 10.3491 10.3491 10.3733 10.3733 11.3776 11.3776 11.4527 11.4527 12.7483 12.7483 12.7996 12.7996 12.9384 12.9384 k = 0.0897 0.0518 0.3207 ( 4982 PWs) bands (ev): -30.5118 -30.5118 -30.5118 -30.5118 -11.8343 -11.8343 -11.8322 -11.8322 -11.4744 -11.4744 -11.4720 -11.4720 -11.4415 -11.4415 -11.4414 -11.4414 -1.0910 -1.0910 -1.0886 -1.0886 4.5469 4.5469 4.5506 4.5506 4.7183 4.7183 4.7432 4.7432 5.1377 5.1377 5.1377 5.1377 6.0157 6.0157 6.0673 6.0673 6.3243 6.3243 6.3296 6.3296 8.1696 8.1696 8.2092 8.2092 9.5666 9.5666 9.6284 9.6284 10.2855 10.2855 10.3120 10.3120 11.4526 11.4526 11.5368 11.5368 12.7383 12.7383 12.7984 12.7984 12.9531 12.9532 k = 0.1026 0.0592 0.3207 ( 4976 PWs) bands (ev): -30.5118 -30.5118 -30.5118 -30.5118 -11.8346 -11.8346 -11.8322 -11.8322 -11.4747 -11.4747 -11.4719 -11.4719 -11.4420 -11.4420 -11.4419 -11.4419 -1.0799 -1.0799 -1.0772 -1.0772 4.5426 4.5426 4.5477 4.5477 4.7174 4.7174 4.7465 4.7465 5.1413 5.1413 5.1413 5.1413 6.0135 6.0135 6.0701 6.0701 6.3277 6.3277 6.3354 6.3354 8.1388 8.1388 8.1821 8.1821 9.5118 9.5118 9.5790 9.5790 10.2236 10.2236 10.2515 10.2515 11.5226 11.5226 11.6150 11.6150 12.7299 12.7299 12.7990 12.7990 12.9729 12.9731 k = 0.1154 0.0666 0.3207 ( 4974 PWs) bands (ev): -30.5118 -30.5118 -30.5117 -30.5117 -11.8349 -11.8349 -11.8322 -11.8322 -11.4749 -11.4749 -11.4719 -11.4719 -11.4425 -11.4425 -11.4423 -11.4423 -1.0674 -1.0674 -1.0645 -1.0645 4.5375 4.5375 4.5443 4.5443 4.7169 4.7169 4.7503 4.7503 5.1451 5.1451 5.1452 5.1452 6.0119 6.0119 6.0727 6.0727 6.3314 6.3314 6.3419 6.3419 8.1031 8.1031 8.1492 8.1492 9.4573 9.4573 9.5296 9.5296 10.1631 10.1631 10.1917 10.1917 11.5859 11.5859 11.6851 11.6851 12.7248 12.7248 12.8038 12.8038 12.9966 12.9966 k = 0.1282 0.0740 0.3207 ( 4978 PWs) bands (ev): -30.5117 -30.5117 -30.5117 -30.5117 -11.8352 -11.8352 -11.8323 -11.8323 -11.4752 -11.4752 -11.4718 -11.4718 -11.4431 -11.4431 -11.4429 -11.4429 -1.0537 -1.0537 -1.0505 -1.0505 4.5317 4.5317 4.5403 4.5403 4.7170 4.7170 4.7547 4.7547 5.1491 5.1491 5.1494 5.1494 6.0108 6.0108 6.0749 6.0749 6.3353 6.3353 6.3491 6.3491 8.0622 8.0622 8.1103 8.1103 9.4044 9.4044 9.4819 9.4819 10.1037 10.1037 10.1326 10.1326 11.6409 11.6409 11.7453 11.7453 12.7244 12.7244 12.8152 12.8152 13.0234 13.0250 k = 0.1410 0.0814 0.3207 ( 4986 PWs) bands (ev): -30.5117 -30.5117 -30.5117 -30.5117 -11.8356 -11.8356 -11.8325 -11.8325 -11.4755 -11.4755 -11.4718 -11.4718 -11.4437 -11.4437 -11.4435 -11.4435 -1.0388 -1.0388 -1.0353 -1.0353 4.5253 4.5253 4.5359 4.5359 4.7178 4.7178 4.7596 4.7596 5.1533 5.1533 5.1538 5.1538 6.0102 6.0102 6.0767 6.0767 6.3393 6.3393 6.3569 6.3569 8.0161 8.0161 8.0655 8.0655 9.3542 9.3542 9.4369 9.4369 10.0452 10.0452 10.0741 10.0741 11.6865 11.6865 11.7940 11.7940 12.7299 12.7299 12.8345 12.8345 13.0526 13.0536 k = 0.1538 0.0888 0.3207 ( 4982 PWs) bands (ev): -30.5116 -30.5116 -30.5116 -30.5116 -11.8359 -11.8359 -11.8326 -11.8326 -11.4757 -11.4757 -11.4718 -11.4718 -11.4444 -11.4444 -11.4441 -11.4441 -1.0227 -1.0227 -1.0190 -1.0190 4.5184 4.5184 4.5309 4.5309 4.7192 4.7192 4.7651 4.7651 5.1576 5.1576 5.1583 5.1583 6.0101 6.0101 6.0783 6.0783 6.3434 6.3434 6.3653 6.3653 7.9649 7.9649 8.0147 8.0147 9.3072 9.3072 9.3954 9.3954 9.9875 9.9875 10.0162 10.0162 11.7222 11.7222 11.8308 11.8308 12.7415 12.7415 12.8620 12.8620 13.0837 13.0845 k = 0.1667 0.0962 0.3207 ( 4972 PWs) bands (ev): -30.5116 -30.5116 -30.5116 -30.5116 -11.8362 -11.8362 -11.8327 -11.8327 -11.4760 -11.4760 -11.4718 -11.4718 -11.4451 -11.4451 -11.4447 -11.4447 -1.0056 -1.0056 -1.0016 -1.0016 4.5110 4.5110 4.5255 4.5255 4.7214 4.7214 4.7712 4.7712 5.1620 5.1620 5.1630 5.1630 6.0106 6.0106 6.0797 6.0797 6.3477 6.3477 6.3742 6.3742 7.9088 7.9088 7.9584 7.9584 9.2638 9.2638 9.3577 9.3577 9.9307 9.9307 9.9593 9.9593 11.7481 11.7481 11.8560 11.8560 12.7587 12.7587 12.8966 12.8966 13.1161 13.1168 k = 0.1795 0.1036 0.3207 ( 4974 PWs) bands (ev): -30.5115 -30.5115 -30.5115 -30.5115 -11.8366 -11.8366 -11.8329 -11.8329 -11.4763 -11.4763 -11.4718 -11.4718 -11.4458 -11.4458 -11.4453 -11.4453 -0.9875 -0.9875 -0.9833 -0.9833 4.5033 4.5033 4.5197 4.5197 4.7242 4.7242 4.7777 4.7777 5.1663 5.1663 5.1676 5.1676 6.0117 6.0117 6.0807 6.0807 6.3521 6.3521 6.3835 6.3835 7.8482 7.8482 7.8970 7.8970 9.2241 9.2241 9.3237 9.3237 9.8750 9.8750 9.9035 9.9035 11.7649 11.7649 11.8707 11.8707 12.7803 12.7803 12.9361 12.9361 13.1495 13.1496 k = 0.1923 0.1110 0.3207 ( 4972 PWs) bands (ev): -30.5115 -30.5115 -30.5115 -30.5115 -11.8369 -11.8369 -11.8332 -11.8332 -11.4766 -11.4766 -11.4719 -11.4719 -11.4465 -11.4465 -11.4459 -11.4459 -0.9685 -0.9685 -0.9641 -0.9641 4.4954 4.4954 4.5136 4.5136 4.7278 4.7278 4.7847 4.7847 5.1706 5.1706 5.1723 5.1723 6.0132 6.0132 6.0815 6.0815 6.3565 6.3565 6.3931 6.3931 7.7838 7.7838 7.8313 7.8313 9.1877 9.1877 9.2930 9.2930 9.8208 9.8208 9.8491 9.8491 11.7741 11.7741 11.8770 11.8770 12.8046 12.8046 12.9774 12.9774 13.1834 13.1841 k = 0.2051 0.1184 0.3207 ( 4980 PWs) bands (ev): -30.5114 -30.5114 -30.5114 -30.5114 -11.8373 -11.8373 -11.8334 -11.8334 -11.4769 -11.4769 -11.4720 -11.4720 -11.4473 -11.4473 -11.4466 -11.4466 -0.9489 -0.9489 -0.9443 -0.9443 4.4874 4.4874 4.5073 4.5073 4.7319 4.7319 4.7920 4.7920 5.1746 5.1746 5.1768 5.1768 6.0152 6.0152 6.0820 6.0820 6.3611 6.3611 6.4030 6.4030 7.7161 7.7161 7.7621 7.7621 9.1542 9.1542 9.2649 9.2649 9.7685 9.7685 9.7966 9.7966 11.7771 11.7771 11.8766 11.8766 12.8294 12.8294 13.0167 13.0167 13.2175 13.2175 k = 0.2179 0.1258 0.3207 ( 4980 PWs) bands (ev): -30.5114 -30.5114 -30.5114 -30.5114 -11.8376 -11.8376 -11.8337 -11.8337 -11.4772 -11.4772 -11.4721 -11.4721 -11.4481 -11.4481 -11.4473 -11.4473 -0.9285 -0.9285 -0.9237 -0.9237 4.4794 4.4794 4.5009 4.5009 4.7367 4.7367 4.7996 4.7996 5.1785 5.1785 5.1812 5.1812 6.0177 6.0177 6.0823 6.0823 6.3656 6.3656 6.4130 6.4130 7.6460 7.6460 7.6903 7.6903 9.1231 9.1231 9.2385 9.2385 9.7187 9.7187 9.7463 9.7463 11.7758 11.7758 11.8716 11.8716 12.8527 12.8527 13.0506 13.0506 13.2515 13.2515 k = 0.2308 0.1332 0.3207 ( 4980 PWs) bands (ev): -30.5113 -30.5113 -30.5113 -30.5113 -11.8380 -11.8380 -11.8339 -11.8339 -11.4774 -11.4774 -11.4722 -11.4722 -11.4488 -11.4488 -11.4480 -11.4480 -0.9076 -0.9076 -0.9027 -0.9027 4.4715 4.4715 4.4945 4.4945 4.7420 4.7420 4.8074 4.8074 5.1820 5.1820 5.1854 5.1854 6.0206 6.0206 6.0823 6.0823 6.3703 6.3703 6.4232 6.4232 7.5743 7.5743 7.6166 7.6166 9.0936 9.0936 9.2130 9.2130 9.6719 9.6719 9.6987 9.6987 11.7717 11.7717 11.8637 11.8637 12.8727 12.8727 13.0761 13.0761 13.2857 13.2857 k = 0.2436 0.1406 0.3207 ( 4996 PWs) bands (ev): -30.5113 -30.5113 -30.5113 -30.5113 -11.8383 -11.8383 -11.8343 -11.8343 -11.4778 -11.4778 -11.4724 -11.4724 -11.4496 -11.4496 -11.4487 -11.4487 -0.8863 -0.8863 -0.8814 -0.8814 4.4638 4.4638 4.4882 4.4882 4.7478 4.7478 4.8154 4.8154 5.1850 5.1850 5.1892 5.1892 6.0238 6.0238 6.0821 6.0821 6.3750 6.3750 6.4333 6.4333 7.5017 7.5017 7.5420 7.5420 9.0651 9.0651 9.1872 9.1872 9.6287 9.6287 9.6542 9.6542 11.7660 11.7660 11.8542 11.8542 12.8880 12.8880 13.0910 13.0910 13.3202 13.3202 k = 0.2564 0.1480 0.3207 ( 4978 PWs) bands (ev): -30.5112 -30.5112 -30.5112 -30.5112 -11.8386 -11.8386 -11.8346 -11.8346 -11.4780 -11.4780 -11.4725 -11.4725 -11.4503 -11.4503 -11.4493 -11.4493 -0.8647 -0.8647 -0.8597 -0.8597 4.4565 4.4565 4.4820 4.4820 4.7541 4.7541 4.8236 4.8236 5.1876 5.1876 5.1927 5.1927 6.0273 6.0273 6.0816 6.0816 6.3799 6.3799 6.4434 6.4434 7.4290 7.4290 7.4673 7.4673 9.0370 9.0370 9.1605 9.1605 9.5899 9.5899 9.6132 9.6132 11.7602 11.7602 11.8444 11.8444 12.8977 12.8977 13.0949 13.0949 13.3553 13.3553 k = 0.2692 0.1554 0.3207 ( 4982 PWs) bands (ev): -30.5112 -30.5112 -30.5111 -30.5111 -11.8389 -11.8389 -11.8349 -11.8349 -11.4783 -11.4783 -11.4728 -11.4728 -11.4511 -11.4511 -11.4499 -11.4499 -0.8430 -0.8430 -0.8379 -0.8379 4.4496 4.4496 4.4762 4.4762 4.7608 4.7608 4.8319 4.8319 5.1895 5.1895 5.1956 5.1956 6.0311 6.0311 6.0809 6.0809 6.3848 6.3848 6.4534 6.4534 7.3569 7.3569 7.3931 7.3931 9.0088 9.0088 9.1319 9.1319 9.5558 9.5558 9.5761 9.5761 11.7550 11.7550 11.8352 11.8352 12.9010 12.9010 13.0884 13.0884 13.3910 13.3910 k = 0.2821 0.1628 0.3207 ( 4976 PWs) bands (ev): -30.5111 -30.5111 -30.5111 -30.5111 -11.8392 -11.8392 -11.8352 -11.8352 -11.4785 -11.4785 -11.4730 -11.4730 -11.4517 -11.4517 -11.4505 -11.4505 -0.8212 -0.8212 -0.8161 -0.8161 4.4433 4.4433 4.4706 4.4706 4.7679 4.7679 4.8402 4.8402 5.1906 5.1906 5.1980 5.1980 6.0351 6.0351 6.0799 6.0799 6.3899 6.3899 6.4631 6.4631 7.2861 7.2861 7.3202 7.3202 8.9801 8.9801 9.1012 9.1012 9.5265 9.5265 9.5430 9.5430 11.7513 11.7513 11.8273 11.8273 12.8978 12.8978 13.0729 13.0729 13.4270 13.4270 k = 0.2949 0.1702 0.3207 ( 4978 PWs) bands (ev): -30.5111 -30.5111 -30.5110 -30.5110 -11.8395 -11.8395 -11.8356 -11.8356 -11.4788 -11.4788 -11.4733 -11.4733 -11.4524 -11.4524 -11.4511 -11.4511 -0.7996 -0.7996 -0.7945 -0.7945 4.4374 4.4374 4.4654 4.4654 4.7754 4.7754 4.8485 4.8485 5.1909 5.1909 5.1997 5.1997 6.0391 6.0391 6.0786 6.0786 6.3951 6.3951 6.4726 6.4726 7.2171 7.2171 7.2492 7.2492 8.9508 8.9508 9.0684 9.0684 9.5019 9.5019 9.5141 9.5141 11.7498 11.7498 11.8215 11.8215 12.8883 12.8883 13.0500 13.0500 13.4632 13.4632 k = 0.3077 0.1776 0.3207 ( 4976 PWs) bands (ev): -30.5110 -30.5110 -30.5110 -30.5110 -11.8398 -11.8398 -11.8359 -11.8359 -11.4790 -11.4790 -11.4736 -11.4736 -11.4530 -11.4530 -11.4517 -11.4517 -0.7783 -0.7783 -0.7733 -0.7733 4.4322 4.4322 4.4606 4.4606 4.7832 4.7832 4.8569 4.8569 5.1903 5.1903 5.2006 5.2006 6.0431 6.0431 6.0771 6.0771 6.4005 6.4005 6.4816 6.4816 7.1505 7.1505 7.1806 7.1806 8.9207 8.9207 9.0336 9.0336 9.4817 9.4817 9.4892 9.4892 11.7509 11.7509 11.8181 11.8181 12.8727 12.8727 13.0210 13.0210 13.4993 13.4993 k = 0.3205 0.1850 0.3207 ( 4976 PWs) bands (ev): -30.5109 -30.5109 -30.5109 -30.5109 -11.8400 -11.8400 -11.8363 -11.8363 -11.4793 -11.4793 -11.4740 -11.4740 -11.4536 -11.4536 -11.4523 -11.4523 -0.7574 -0.7574 -0.7525 -0.7525 4.4277 4.4277 4.4562 4.4562 4.7914 4.7914 4.8652 4.8652 5.1886 5.1886 5.2006 5.2006 6.0471 6.0471 6.0754 6.0754 6.4062 6.4062 6.4902 6.4902 7.0868 7.0868 7.1150 7.1150 8.8902 8.8902 8.9975 8.9975 9.4653 9.4653 9.4680 9.4680 11.7551 11.7551 11.8175 11.8175 12.8515 12.8515 12.9869 12.9869 13.5350 13.5350 k = 0.3333 0.1925 0.3207 ( 4968 PWs) bands (ev): -30.5109 -30.5109 -30.5109 -30.5109 -11.8402 -11.8402 -11.8366 -11.8366 -11.4795 -11.4795 -11.4743 -11.4743 -11.4541 -11.4541 -11.4528 -11.4528 -0.7370 -0.7370 -0.7323 -0.7323 4.4238 4.4238 4.4522 4.4522 4.7999 4.7999 4.8735 4.8735 5.1859 5.1859 5.1997 5.1997 6.0508 6.0508 6.0734 6.0734 6.4120 6.4120 6.4982 6.4982 7.0265 7.0265 7.0528 7.0528 8.8596 8.8596 8.9605 8.9605 9.4504 9.4504 9.4520 9.4520 11.7626 11.7626 11.8200 11.8200 12.8253 12.8253 12.9486 12.9486 13.5702 13.5702 k = 0.3462 0.1999 0.3207 ( 4964 PWs) bands (ev): -30.5108 -30.5108 -30.5108 -30.5108 -11.8404 -11.8404 -11.8370 -11.8370 -11.4796 -11.4796 -11.4747 -11.4747 -11.4545 -11.4545 -11.4532 -11.4532 -0.7174 -0.7174 -0.7129 -0.7129 4.4207 4.4207 4.4487 4.4487 4.8088 4.8088 4.8817 4.8817 5.1820 5.1820 5.1977 5.1977 6.0542 6.0542 6.0713 6.0713 6.4182 6.4182 6.5056 6.5056 6.9699 6.9699 6.9944 6.9944 8.8293 8.8293 8.9235 8.9235 9.4359 9.4359 9.4412 9.4412 11.7736 11.7736 11.8259 11.8259 12.7946 12.7946 12.9068 12.9068 13.6045 13.6046 k = 0.3590 0.2073 0.3207 ( 4956 PWs) bands (ev): -30.5108 -30.5108 -30.5108 -30.5108 -11.8405 -11.8405 -11.8373 -11.8373 -11.4798 -11.4798 -11.4751 -11.4751 -11.4549 -11.4549 -11.4537 -11.4537 -0.6987 -0.6987 -0.6944 -0.6944 4.4182 4.4182 4.4455 4.4455 4.8180 4.8180 4.8898 4.8898 5.1771 5.1771 5.1947 5.1947 6.0573 6.0573 6.0692 6.0692 6.4246 6.4246 6.5122 6.5122 6.9173 6.9173 6.9401 6.9401 8.7997 8.7997 8.8870 8.8870 9.4240 9.4240 9.4324 9.4324 11.7882 11.7882 11.8351 11.8351 12.7599 12.7599 12.8618 12.8618 13.6380 13.6381 k = 0.3718 0.2147 0.3207 ( 4944 PWs) bands (ev): -30.5107 -30.5107 -30.5107 -30.5107 -11.8406 -11.8406 -11.8377 -11.8377 -11.4799 -11.4799 -11.4755 -11.4755 -11.4553 -11.4553 -11.4541 -11.4541 -0.6810 -0.6810 -0.6769 -0.6769 4.4164 4.4164 4.4428 4.4428 4.8276 4.8276 4.8978 4.8978 5.1711 5.1711 5.1905 5.1905 6.0599 6.0599 6.0669 6.0669 6.4314 6.4314 6.5181 6.5181 6.8690 6.8690 6.8902 6.8902 8.7714 8.7714 8.8515 8.8515 9.4145 9.4145 9.4251 9.4251 11.8065 11.8065 11.8478 11.8478 12.7218 12.7218 12.8143 12.8143 13.6701 13.6702 k = 0.3846 0.2221 0.3207 ( 4952 PWs) bands (ev): -30.5107 -30.5107 -30.5107 -30.5107 -11.8408 -11.8408 -11.8380 -11.8380 -11.4800 -11.4800 -11.4759 -11.4759 -11.4556 -11.4556 -11.4545 -11.4545 -0.6645 -0.6645 -0.6607 -0.6607 4.4153 4.4153 4.4403 4.4403 4.8375 4.8375 4.9055 4.9055 5.1643 5.1643 5.1853 5.1853 6.0620 6.0620 6.0648 6.0648 6.4385 6.4385 6.5231 6.5231 6.8251 6.8251 6.8450 6.8450 8.7447 8.7447 8.8176 8.8176 9.4069 9.4069 9.4189 9.4189 11.8282 11.8282 11.8639 11.8639 12.6811 12.6811 12.7647 12.7647 13.7007 13.7008 k = 0.3974 0.2295 0.3207 ( 4962 PWs) bands (ev): -30.5107 -30.5107 -30.5107 -30.5107 -11.8409 -11.8409 -11.8384 -11.8384 -11.4801 -11.4801 -11.4764 -11.4764 -11.4559 -11.4559 -11.4549 -11.4549 -0.6493 -0.6493 -0.6458 -0.6458 4.4148 4.4148 4.4381 4.4381 4.8477 4.8477 4.9128 4.9128 5.1567 5.1567 5.1791 5.1791 6.0627 6.0627 6.0636 6.0636 6.4458 6.4458 6.5271 6.5271 6.7859 6.7859 6.8044 6.8044 8.7202 8.7202 8.7856 8.7856 9.4010 9.4010 9.4137 9.4137 11.8534 11.8534 11.8833 11.8833 12.6382 12.6382 12.7136 12.7136 13.7293 13.7295 k = 0.4103 0.2369 0.3207 ( 4950 PWs) bands (ev): -30.5106 -30.5106 -30.5106 -30.5106 -11.8409 -11.8409 -11.8387 -11.8387 -11.4801 -11.4801 -11.4768 -11.4768 -11.4561 -11.4561 -11.4552 -11.4552 -0.6355 -0.6355 -0.6324 -0.6324 4.4148 4.4148 4.4362 4.4362 4.8582 4.8582 4.9196 4.9196 5.1488 5.1488 5.1720 5.1720 6.0609 6.0609 6.0645 6.0645 6.4535 6.4535 6.5301 6.5301 6.7513 6.7513 6.7687 6.7687 8.6982 8.6982 8.7561 8.7561 9.3965 9.3965 9.4091 9.4091 11.8815 11.8815 11.9057 11.9057 12.5941 12.5941 12.6615 12.6615 13.7559 13.7567 k = 0.4231 0.2443 0.3207 ( 4954 PWs) bands (ev): -30.5106 -30.5106 -30.5106 -30.5106 -11.8409 -11.8409 -11.8390 -11.8390 -11.4801 -11.4801 -11.4772 -11.4772 -11.4563 -11.4563 -11.4555 -11.4555 -0.6232 -0.6232 -0.6205 -0.6205 4.4153 4.4153 4.4344 4.4344 4.8689 4.8689 4.9256 4.9256 5.1408 5.1408 5.1643 5.1643 6.0595 6.0595 6.0648 6.0648 6.4614 6.4614 6.5318 6.5318 6.7215 6.7215 6.7378 6.7378 8.6791 8.6791 8.7292 8.7292 9.3932 9.3932 9.4051 9.4051 11.9123 11.9123 11.9308 11.9308 12.5495 12.5495 12.6091 12.6091 13.7798 13.7805 k = 0.4359 0.2517 0.3207 ( 4958 PWs) bands (ev): -30.5106 -30.5106 -30.5106 -30.5106 -11.8410 -11.8410 -11.8393 -11.8393 -11.4801 -11.4801 -11.4776 -11.4776 -11.4565 -11.4565 -11.4557 -11.4557 -0.6127 -0.6127 -0.6103 -0.6103 4.4162 4.4162 4.4327 4.4327 4.8797 4.8797 4.9305 4.9305 5.1334 5.1334 5.1561 5.1561 6.0584 6.0584 6.0646 6.0646 6.4695 6.4695 6.5321 6.5321 6.6967 6.6967 6.7116 6.7116 8.6631 8.6631 8.7052 8.7052 9.3908 9.3908 9.4016 9.4016 11.9448 11.9448 11.9578 11.9578 12.5056 12.5056 12.5574 12.5574 13.8006 13.8016 k = 0.4487 0.2591 0.3207 ( 4962 PWs) bands (ev): -30.5106 -30.5106 -30.5106 -30.5106 -11.8409 -11.8409 -11.8396 -11.8396 -11.4800 -11.4800 -11.4780 -11.4780 -11.4566 -11.4566 -11.4560 -11.4560 -0.6038 -0.6038 -0.6019 -0.6019 4.4175 4.4175 4.4310 4.4310 4.8905 4.8905 4.9339 4.9339 5.1270 5.1270 5.1477 5.1477 6.0578 6.0578 6.0640 6.0640 6.4778 6.4778 6.5309 6.5309 6.6768 6.6768 6.6900 6.6900 8.6505 8.6505 8.6845 8.6845 9.3894 9.3894 9.3985 9.3985 11.9780 11.9780 11.9860 11.9860 12.4638 12.4638 12.5076 12.5076 13.8180 13.8184 k = 0.4615 0.2665 0.3207 ( 4964 PWs) bands (ev): -30.5106 -30.5106 -30.5105 -30.5105 -11.8409 -11.8409 -11.8399 -11.8399 -11.4798 -11.4798 -11.4783 -11.4783 -11.4566 -11.4566 -11.4562 -11.4562 -0.5968 -0.5968 -0.5954 -0.5954 4.4190 4.4190 4.4293 4.4293 4.9009 4.9009 4.9355 4.9355 5.1222 5.1222 5.1397 5.1397 6.0576 6.0576 6.0631 6.0631 6.4861 6.4861 6.5281 6.5281 6.6620 6.6620 6.6729 6.6729 8.6415 8.6415 8.6672 8.6672 9.3886 9.3886 9.3958 9.3958 12.0101 12.0101 12.0138 12.0138 12.4262 12.4262 12.4613 12.4613 13.8318 13.8321 k = 0.4744 0.2739 0.3207 ( 4962 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8408 -11.8408 -11.8401 -11.8401 -11.4797 -11.4797 -11.4787 -11.4787 -11.4566 -11.4566 -11.4563 -11.4563 -0.5917 -0.5917 -0.5907 -0.5907 4.4206 4.4206 4.4276 4.4276 4.9106 4.9106 4.9348 4.9348 5.1197 5.1197 5.1323 5.1323 6.0578 6.0578 6.0619 6.0619 6.4945 6.4945 6.5236 6.5236 6.6523 6.6523 6.6601 6.6601 8.6363 8.6363 8.6535 8.6535 9.3885 9.3885 9.3934 9.3934 12.0382 12.0382 12.0388 12.0388 12.3959 12.3959 12.4211 12.4211 13.8420 13.8428 k = 0.4872 0.2813 0.3207 ( 4976 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8407 -11.8407 -11.8403 -11.8403 -11.4795 -11.4795 -11.4790 -11.4790 -11.4566 -11.4566 -11.4565 -11.4565 -0.5885 -0.5885 -0.5880 -0.5880 4.4224 4.4224 4.4259 4.4259 4.9194 4.9194 4.9318 4.9318 5.1195 5.1195 5.1262 5.1262 6.0585 6.0585 6.0606 6.0606 6.5027 6.5027 6.5176 6.5176 6.6474 6.6474 6.6516 6.6516 8.6348 8.6348 8.6434 8.6434 9.3890 9.3890 9.3915 9.3915 12.0573 12.0573 12.0578 12.0578 12.3774 12.3774 12.3908 12.3908 13.8485 13.8491 k = 0.5000 0.2887 0.3207 ( 4976 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8405 -11.8405 -11.8405 -11.8405 -11.4793 -11.4793 -11.4793 -11.4793 -11.4566 -11.4566 -11.4566 -11.4566 -0.5873 -0.5873 -0.5873 -0.5873 4.4241 4.4241 4.4241 4.4241 4.9266 4.9266 4.9266 4.9266 5.1218 5.1218 5.1218 5.1218 6.0595 6.0595 6.0595 6.0595 6.5106 6.5106 6.5106 6.5106 6.6473 6.6473 6.6473 6.6473 8.6372 8.6372 8.6372 8.6372 9.3900 9.3900 9.3900 9.3900 12.0647 12.0647 12.0647 12.0647 12.3752 12.3752 12.3752 12.3752 13.8515 13.8515 k = 0.5000 0.2887 0.3207 ( 4976 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8405 -11.8405 -11.8405 -11.8405 -11.4793 -11.4793 -11.4793 -11.4793 -11.4566 -11.4566 -11.4566 -11.4566 -0.5873 -0.5873 -0.5873 -0.5873 4.4241 4.4241 4.4241 4.4241 4.9266 4.9266 4.9266 4.9266 5.1218 5.1218 5.1218 5.1218 6.0595 6.0595 6.0595 6.0595 6.5106 6.5106 6.5106 6.5106 6.6473 6.6473 6.6473 6.6473 8.6372 8.6372 8.6372 8.6372 9.3900 9.3900 9.3900 9.3900 12.0647 12.0647 12.0647 12.0647 12.3752 12.3752 12.3752 12.3752 13.8515 13.8515 k = 0.4928 0.3012 0.3207 ( 4972 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8408 -11.8408 -11.8403 -11.8403 -11.4794 -11.4794 -11.4792 -11.4792 -11.4569 -11.4569 -11.4563 -11.4563 -0.5876 -0.5876 -0.5864 -0.5864 4.4221 4.4221 4.4277 4.4277 4.9159 4.9159 4.9376 4.9376 5.1159 5.1159 5.1273 5.1273 6.0440 6.0440 6.0747 6.0747 6.4976 6.4976 6.5225 6.5225 6.6458 6.6458 6.6493 6.6493 8.6124 8.6124 8.6515 8.6515 9.3621 9.3621 9.4193 9.4193 12.0552 12.0552 12.0869 12.0869 12.3689 12.3689 12.3832 12.3832 13.8407 13.8449 k = 0.4855 0.3138 0.3207 ( 4976 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8411 -11.8411 -11.8400 -11.8400 -11.4794 -11.4794 -11.4791 -11.4791 -11.4572 -11.4572 -11.4561 -11.4561 -0.5875 -0.5875 -0.5850 -0.5850 4.4217 4.4217 4.4329 4.4329 4.9055 4.9055 4.9489 4.9489 5.1097 5.1097 5.1325 5.1325 6.0284 6.0284 6.0898 6.0898 6.4842 6.4842 6.5329 6.5329 6.6451 6.6451 6.6515 6.6515 8.5786 8.5786 8.6542 8.6542 9.3373 9.3373 9.4484 9.4484 12.0587 12.0587 12.1209 12.1209 12.3638 12.3638 12.3937 12.3937 13.8276 13.8278 k = 0.4783 0.3263 0.3207 ( 4964 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8413 -11.8413 -11.8397 -11.8397 -11.4794 -11.4794 -11.4789 -11.4789 -11.4576 -11.4576 -11.4560 -11.4560 -0.5867 -0.5867 -0.5830 -0.5830 4.4228 4.4228 4.4396 4.4396 4.8956 4.8956 4.9603 4.9603 5.1034 5.1034 5.1372 5.1372 6.0124 6.0124 6.1048 6.1048 6.4705 6.4705 6.5409 6.5409 6.6457 6.6457 6.6541 6.6541 8.5370 8.5370 8.6446 8.6446 9.3171 9.3171 9.4761 9.4761 12.0747 12.0747 12.1646 12.1646 12.3599 12.3599 12.4081 12.4081 13.8139 13.8139 k = 0.4710 0.3389 0.3207 ( 4960 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8416 -11.8416 -11.8395 -11.8395 -11.4794 -11.4794 -11.4788 -11.4788 -11.4580 -11.4580 -11.4559 -11.4559 -0.5855 -0.5855 -0.5806 -0.5806 4.4254 4.4254 4.4478 4.4478 4.8861 4.8861 4.9717 4.9717 5.0969 5.0969 5.1415 5.1415 5.9961 5.9961 6.1196 6.1196 6.4567 6.4567 6.5456 6.5456 6.6473 6.6473 6.6579 6.6579 8.4891 8.4891 8.6227 8.6227 9.3024 9.3024 9.5015 9.5015 12.1017 12.1017 12.2144 12.2144 12.3575 12.3575 12.4295 12.4295 13.7990 13.7990 k = 0.4638 0.3514 0.3207 ( 4948 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8418 -11.8418 -11.8392 -11.8392 -11.4793 -11.4793 -11.4786 -11.4786 -11.4585 -11.4585 -11.4558 -11.4558 -0.5838 -0.5838 -0.5776 -0.5776 4.4295 4.4295 4.4576 4.4576 4.8771 4.8771 4.9831 4.9831 5.0904 5.0904 5.1453 5.1453 5.9794 5.9794 6.1342 6.1342 6.4432 6.4432 6.5468 6.5468 6.6488 6.6488 6.6645 6.6645 8.4359 8.4359 8.5895 8.5895 9.2932 9.2932 9.5244 9.5244 12.1371 12.1371 12.2646 12.2646 12.3582 12.3582 12.4624 12.4624 13.7828 13.7828 k = 0.4565 0.3640 0.3207 ( 4956 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8421 -11.8421 -11.8390 -11.8390 -11.4793 -11.4793 -11.4783 -11.4783 -11.4591 -11.4591 -11.4558 -11.4558 -0.5816 -0.5816 -0.5743 -0.5743 4.4350 4.4350 4.4688 4.4688 4.8686 4.8686 4.9941 4.9941 5.0840 5.0840 5.1487 5.1487 5.9623 5.9623 6.1486 6.1486 6.4300 6.4300 6.5444 6.5444 6.6494 6.6494 6.6744 6.6744 8.3787 8.3787 8.5469 8.5469 9.2889 9.2889 9.5446 9.5446 12.1764 12.1764 12.3056 12.3056 12.3677 12.3677 12.5120 12.5120 13.7652 13.7652 k = 0.4493 0.3765 0.3207 ( 4952 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8424 -11.8424 -11.8388 -11.8388 -11.4792 -11.4792 -11.4781 -11.4781 -11.4596 -11.4596 -11.4559 -11.4559 -0.5790 -0.5790 -0.5706 -0.5706 4.4417 4.4417 4.4813 4.4813 4.8607 4.8607 5.0044 5.0044 5.0781 5.0781 5.1516 5.1516 5.9445 5.9445 6.1628 6.1628 6.4173 6.4173 6.5390 6.5390 6.6491 6.6491 6.6873 6.6873 8.3183 8.3183 8.4970 8.4970 9.2885 9.2885 9.5623 9.5623 12.2137 12.2137 12.3258 12.3258 12.3994 12.3994 12.5799 12.5799 13.7463 13.7463 k = 0.4420 0.3891 0.3207 ( 4946 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8426 -11.8426 -11.8386 -11.8386 -11.4791 -11.4791 -11.4778 -11.4778 -11.4602 -11.4602 -11.4560 -11.4560 -0.5760 -0.5760 -0.5665 -0.5665 4.4497 4.4497 4.4951 4.4951 4.8533 4.8533 5.0136 5.0136 5.0729 5.0729 5.1543 5.1543 5.9262 5.9262 6.1766 6.1766 6.4052 6.4052 6.5313 6.5313 6.6480 6.6480 6.7024 6.7024 8.2558 8.2558 8.4421 8.4421 9.2910 9.2910 9.5776 9.5776 12.2433 12.2433 12.3321 12.3321 12.4521 12.4521 12.6623 12.6623 13.7262 13.7262 k = 0.4348 0.4016 0.3207 ( 4940 PWs) bands (ev): -30.5105 -30.5105 -30.5104 -30.5104 -11.8429 -11.8429 -11.8384 -11.8384 -11.4790 -11.4790 -11.4775 -11.4775 -11.4609 -11.4609 -11.4561 -11.4561 -0.5727 -0.5727 -0.5621 -0.5621 4.4587 4.4587 4.5101 4.5101 4.8465 4.8465 5.0206 5.0206 5.0690 5.0690 5.1568 5.1568 5.9072 5.9072 6.1899 6.1899 6.3941 6.3941 6.5217 6.5217 6.6461 6.6461 6.7190 6.7190 8.1922 8.1922 8.3841 8.3841 9.2953 9.2953 9.5909 9.5909 12.2634 12.2634 12.3352 12.3352 12.5184 12.5184 12.7543 12.7543 13.7050 13.7050 k = 0.4275 0.4142 0.3207 ( 4956 PWs) bands (ev): -30.5105 -30.5105 -30.5104 -30.5104 -11.8431 -11.8431 -11.8383 -11.8383 -11.4789 -11.4789 -11.4772 -11.4772 -11.4616 -11.4616 -11.4563 -11.4563 -0.5691 -0.5691 -0.5575 -0.5575 4.4687 4.4687 4.5262 4.5262 4.8403 4.8403 5.0246 5.0246 5.0674 5.0674 5.1594 5.1594 5.8875 5.8875 6.2026 6.2026 6.3840 6.3840 6.5108 6.5108 6.6437 6.6437 6.7368 6.7368 8.1282 8.1282 8.3250 8.3250 9.3008 9.3008 9.6025 9.6025 12.2757 12.2757 12.3381 12.3381 12.5937 12.5937 12.8518 12.8518 13.6829 13.6829 k = 0.4203 0.4267 0.3207 ( 4956 PWs) bands (ev): -30.5105 -30.5105 -30.5104 -30.5104 -11.8434 -11.8434 -11.8382 -11.8382 -11.4788 -11.4788 -11.4769 -11.4769 -11.4623 -11.4623 -11.4564 -11.4564 -0.5653 -0.5653 -0.5527 -0.5527 4.4794 4.4794 4.5432 4.5432 4.8347 4.8347 5.0249 5.0249 5.0680 5.0680 5.1624 5.1624 5.8670 5.8670 6.2145 6.2145 6.3754 6.3754 6.4987 6.4987 6.6407 6.6407 6.7555 6.7555 8.0646 8.0646 8.2661 8.2661 9.3068 9.3068 9.6127 9.6127 12.2828 12.2828 12.3414 12.3414 12.6743 12.6743 12.9517 12.9517 13.6604 13.6604 k = 0.4130 0.4393 0.3207 ( 4960 PWs) bands (ev): -30.5105 -30.5105 -30.5104 -30.5104 -11.8436 -11.8436 -11.8380 -11.8380 -11.4786 -11.4786 -11.4765 -11.4765 -11.4630 -11.4630 -11.4566 -11.4566 -0.5613 -0.5613 -0.5478 -0.5478 4.4907 4.4907 4.5609 4.5609 4.8298 4.8298 5.0224 5.0224 5.0697 5.0697 5.1663 5.1663 5.8459 5.8459 6.2253 6.2253 6.3684 6.3684 6.4857 6.4857 6.6373 6.6373 6.7747 6.7747 8.0022 8.0022 8.2087 8.2087 9.3129 9.3129 9.6215 9.6215 12.2867 12.2867 12.3452 12.3452 12.7567 12.7567 13.0508 13.0508 13.6379 13.6379 k = 0.4058 0.4518 0.3207 ( 4956 PWs) bands (ev): -30.5105 -30.5105 -30.5104 -30.5104 -11.8438 -11.8438 -11.8379 -11.8379 -11.4785 -11.4785 -11.4761 -11.4761 -11.4637 -11.4637 -11.4568 -11.4568 -0.5572 -0.5572 -0.5429 -0.5429 4.5023 4.5023 4.5792 4.5792 4.8256 4.8256 5.0181 5.0181 5.0709 5.0709 5.1713 5.1713 5.8242 5.8242 6.2348 6.2348 6.3632 6.3632 6.4722 6.4722 6.6335 6.6335 6.7944 6.7944 7.9417 7.9417 8.1539 8.1539 9.3189 9.3189 9.6294 9.6294 12.2888 12.2888 12.3492 12.3492 12.8381 12.8381 13.1464 13.1464 13.6160 13.6160 k = 0.3986 0.4644 0.3207 ( 4958 PWs) bands (ev): -30.5104 -30.5104 -30.5104 -30.5104 -11.8440 -11.8440 -11.8378 -11.8378 -11.4784 -11.4784 -11.4757 -11.4757 -11.4645 -11.4645 -11.4571 -11.4571 -0.5531 -0.5531 -0.5380 -0.5380 4.5140 4.5140 4.5978 4.5978 4.8220 4.8220 5.0131 5.0131 5.0706 5.0706 5.1777 5.1777 5.8022 5.8022 6.2430 6.2430 6.3600 6.3600 6.4584 6.4584 6.6295 6.6295 6.8142 6.8142 7.8838 7.8838 8.1026 8.1026 9.3246 9.3246 9.6363 9.6363 12.2899 12.2899 12.3532 12.3532 12.9162 12.9162 13.2352 13.2352 13.5958 13.5958 k = 0.3913 0.4769 0.3207 ( 4958 PWs) bands (ev): -30.5104 -30.5104 -30.5104 -30.5104 -11.8442 -11.8442 -11.8377 -11.8377 -11.4782 -11.4782 -11.4753 -11.4753 -11.4652 -11.4652 -11.4573 -11.4573 -0.5490 -0.5490 -0.5333 -0.5333 4.5256 4.5256 4.6165 4.6165 4.8192 4.8192 5.0080 5.0080 5.0684 5.0684 5.1852 5.1852 5.7800 5.7800 6.2499 6.2499 6.3584 6.3584 6.4447 6.4447 6.6253 6.6253 6.8338 6.8338 7.8291 7.8291 8.0553 8.0553 9.3297 9.3297 9.6424 9.6424 12.2905 12.2905 12.3572 12.3572 12.9889 12.9889 13.3131 13.3131 13.5789 13.5789 k = 0.3841 0.4895 0.3207 ( 4952 PWs) bands (ev): -30.5104 -30.5104 -30.5104 -30.5104 -11.8443 -11.8443 -11.8376 -11.8376 -11.4781 -11.4781 -11.4748 -11.4748 -11.4659 -11.4659 -11.4575 -11.4575 -0.5451 -0.5451 -0.5287 -0.5287 4.5367 4.5367 4.6349 4.6349 4.8171 4.8171 5.0029 5.0029 5.0643 5.0643 5.1936 5.1936 5.7581 5.7581 6.2557 6.2557 6.3580 6.3580 6.4315 6.4315 6.6210 6.6210 6.8530 6.8530 7.7782 7.7782 8.0128 8.0128 9.3343 9.3343 9.6478 9.6478 12.2910 12.2910 12.3610 12.3610 13.0550 13.0550 13.3741 13.3741 13.5681 13.5681 k = 0.3768 0.5020 0.3207 ( 4952 PWs) bands (ev): -30.5104 -30.5104 -30.5104 -30.5104 -11.8445 -11.8445 -11.8376 -11.8376 -11.4780 -11.4780 -11.4744 -11.4744 -11.4666 -11.4666 -11.4577 -11.4577 -0.5415 -0.5415 -0.5245 -0.5245 4.5471 4.5471 4.6526 4.6526 4.8156 4.8156 4.9984 4.9984 5.0586 5.0586 5.2023 5.2023 5.7369 5.7369 6.2607 6.2607 6.3575 6.3575 6.4198 6.4198 6.6169 6.6169 6.8714 6.8714 7.7319 7.7319 7.9754 7.9754 9.3382 9.3382 9.6525 9.6525 12.2914 12.2914 12.3647 12.3647 13.1134 13.1134 13.4113 13.4113 13.5654 13.5654 k = 0.3696 0.5146 0.3207 ( 4956 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8446 -11.8446 -11.8376 -11.8376 -11.4779 -11.4779 -11.4739 -11.4739 -11.4673 -11.4673 -11.4578 -11.4578 -0.5381 -0.5381 -0.5207 -0.5207 4.5565 4.5565 4.6693 4.6693 4.8148 4.8148 4.9946 4.9946 5.0516 5.0516 5.2109 5.2109 5.7172 5.7172 6.2657 6.2657 6.3556 6.3556 6.4105 6.4105 6.6130 6.6130 6.8884 6.8884 7.6908 7.6908 7.9435 7.9435 9.3415 9.3415 9.6564 9.6564 12.2918 12.2918 12.3681 12.3681 13.1640 13.1640 13.4240 13.4240 13.5652 13.5652 k = 0.3623 0.5271 0.3207 ( 4952 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8447 -11.8447 -11.8375 -11.8375 -11.4778 -11.4778 -11.4735 -11.4735 -11.4680 -11.4680 -11.4580 -11.4580 -0.5352 -0.5352 -0.5173 -0.5173 4.5645 4.5645 4.6842 4.6842 4.8144 4.8144 4.9919 4.9919 5.0438 5.0438 5.2187 5.2187 5.6995 5.6995 6.2708 6.2708 6.3508 6.3508 6.4048 6.4048 6.6095 6.6095 6.9035 6.9035 7.6558 7.6558 7.9172 7.9172 9.3442 9.3442 9.6597 9.6597 12.2923 12.2923 12.3710 12.3710 13.2066 13.2066 13.4211 13.4211 13.5595 13.5595 k = 0.3551 0.5397 0.3207 ( 4952 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8448 -11.8448 -11.8375 -11.8375 -11.4777 -11.4777 -11.4730 -11.4730 -11.4686 -11.4686 -11.4581 -11.4581 -0.5327 -0.5327 -0.5146 -0.5146 4.5709 4.5709 4.6969 4.6969 4.8144 4.8144 4.9907 4.9907 5.0357 5.0357 5.2254 5.2254 5.6847 5.6847 6.2766 6.2766 6.3432 6.3432 6.4024 6.4024 6.6066 6.6066 6.9161 6.9161 7.6276 7.6276 7.8967 7.8967 9.3462 9.3462 9.6622 9.6622 12.2927 12.2927 12.3735 12.3735 13.2415 13.2415 13.4121 13.4121 13.5502 13.5502 k = 0.3478 0.5522 0.3207 ( 4950 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8449 -11.8449 -11.8375 -11.8375 -11.4777 -11.4777 -11.4726 -11.4726 -11.4691 -11.4691 -11.4582 -11.4582 -0.5309 -0.5309 -0.5125 -0.5125 4.5756 4.5756 4.7066 4.7066 4.8145 4.8145 4.9912 4.9912 5.0279 5.0279 5.2303 5.2303 5.6735 5.6735 6.2828 6.2828 6.3341 6.3341 6.4020 6.4020 6.6043 6.6043 6.9256 6.9256 7.6069 7.6069 7.8821 7.8821 9.3475 9.3475 9.6641 9.6641 12.2931 12.2931 12.3753 12.3753 13.2682 13.2682 13.4020 13.4020 13.5410 13.5410 k = 0.3406 0.5648 0.3207 ( 4958 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8449 -11.8449 -11.8375 -11.8375 -11.4777 -11.4777 -11.4723 -11.4723 -11.4695 -11.4695 -11.4583 -11.4583 -0.5297 -0.5297 -0.5112 -0.5112 4.5785 4.5785 4.7128 4.7128 4.8146 4.8146 4.9931 4.9931 5.0213 5.0213 5.2333 5.2333 5.6665 5.6665 6.2889 6.2889 6.3258 6.3258 6.4023 6.4023 6.6029 6.6029 6.9314 6.9314 7.5942 7.5942 7.8734 7.8734 9.3483 9.3483 9.6652 9.6652 12.2934 12.2934 12.3765 12.3765 13.2854 13.2854 13.3942 13.3942 13.5343 13.5343 k = 0.3333 0.5774 0.3207 ( 4962 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8449 -11.8449 -11.8375 -11.8375 -11.4777 -11.4777 -11.4722 -11.4722 -11.4697 -11.4697 -11.4583 -11.4583 -0.5293 -0.5293 -0.5108 -0.5108 4.5794 4.5794 4.7149 4.7149 4.8147 4.8147 4.9946 4.9946 5.0182 5.0182 5.2343 5.2343 5.6641 5.6641 6.2920 6.2920 6.3218 6.3218 6.4025 6.4025 6.6024 6.6024 6.9334 6.9334 7.5899 7.5899 7.8705 7.8705 9.3486 9.3486 9.6655 9.6655 12.2935 12.2935 12.3769 12.3769 13.2913 13.2913 13.3915 13.3915 13.5318 13.5318 k = 0.3333 0.5774 0.3207 ( 4962 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8449 -11.8449 -11.8375 -11.8375 -11.4777 -11.4777 -11.4722 -11.4722 -11.4697 -11.4697 -11.4583 -11.4583 -0.5293 -0.5293 -0.5108 -0.5108 4.5794 4.5794 4.7149 4.7149 4.8147 4.8147 4.9946 4.9946 5.0182 5.0182 5.2343 5.2343 5.6641 5.6641 6.2920 6.2920 6.3218 6.3218 6.4025 6.4025 6.6024 6.6024 6.9334 6.9334 7.5899 7.5899 7.8705 7.8705 9.3486 9.3486 9.6655 9.6655 12.2935 12.2935 12.3769 12.3769 13.2913 13.2913 13.3915 13.3915 13.5318 13.5318 k = 0.3259 0.5645 0.3207 ( 4958 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8449 -11.8449 -11.8375 -11.8375 -11.4777 -11.4777 -11.4723 -11.4723 -11.4695 -11.4695 -11.4583 -11.4583 -0.5298 -0.5298 -0.5113 -0.5113 4.5785 4.5785 4.7127 4.7127 4.8146 4.8146 4.9923 4.9923 5.0221 5.0221 5.2334 5.2334 5.6666 5.6666 6.2885 6.2885 6.3263 6.3263 6.4023 6.4023 6.6030 6.6030 6.9314 6.9314 7.5943 7.5943 7.8735 7.8735 9.3483 9.3483 9.6652 9.6652 12.2933 12.2933 12.3765 12.3765 13.2858 13.2858 13.3936 13.3936 13.5348 13.5348 k = 0.3185 0.5517 0.3207 ( 4946 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8448 -11.8448 -11.8375 -11.8375 -11.4777 -11.4777 -11.4726 -11.4726 -11.4691 -11.4691 -11.4582 -11.4582 -0.5312 -0.5312 -0.5128 -0.5128 4.5756 4.5756 4.7062 4.7062 4.8145 4.8145 4.9871 4.9871 5.0318 5.0318 5.2310 5.2310 5.6737 5.6737 6.2811 6.2811 6.3366 6.3366 6.4019 6.4019 6.6045 6.6045 6.9258 6.9258 7.6072 7.6072 7.8823 7.8823 9.3476 9.3476 9.6640 9.6640 12.2929 12.2929 12.3754 12.3754 13.2716 13.2716 13.3973 13.3973 13.5444 13.5444 k = 0.3111 0.5389 0.3207 ( 4946 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8448 -11.8448 -11.8375 -11.8375 -11.4777 -11.4777 -11.4729 -11.4729 -11.4686 -11.4686 -11.4581 -11.4581 -0.5336 -0.5336 -0.5155 -0.5155 4.5711 4.5711 4.6960 4.6960 4.8141 4.8141 4.9809 4.9809 5.0449 5.0449 5.2277 5.2277 5.6852 5.6852 6.2729 6.2729 6.3489 6.3489 6.4023 6.4023 6.6070 6.6070 6.9171 6.9171 7.6280 7.6280 7.8969 7.8969 9.3466 9.3466 9.6620 9.6620 12.2920 12.2920 12.3736 12.3736 13.2517 13.2517 13.3991 13.3991 13.5603 13.5603 k = 0.3037 0.5260 0.3207 ( 4938 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8447 -11.8447 -11.8374 -11.8374 -11.4778 -11.4778 -11.4732 -11.4732 -11.4680 -11.4680 -11.4579 -11.4579 -0.5372 -0.5372 -0.5193 -0.5193 4.5649 4.5649 4.6830 4.6830 4.8132 4.8132 4.9747 4.9747 5.0596 5.0596 5.2242 5.2242 5.7002 5.7002 6.2649 6.2649 6.3600 6.3600 6.4060 6.4060 6.6105 6.6105 6.9064 6.9064 7.6559 7.6559 7.9169 7.9169 9.3451 9.3451 9.6593 9.6593 12.2907 12.2907 12.3716 12.3716 13.2280 13.2280 13.3971 13.3971 13.5819 13.5819 k = 0.2963 0.5132 0.3207 ( 4954 PWs) bands (ev): -30.5104 -30.5104 -30.5104 -30.5104 -11.8446 -11.8446 -11.8375 -11.8375 -11.4779 -11.4779 -11.4735 -11.4735 -11.4675 -11.4675 -11.4578 -11.4578 -0.5420 -0.5420 -0.5245 -0.5245 4.5574 4.5574 4.6680 4.6680 4.8116 4.8116 4.9685 4.9685 5.0752 5.0752 5.2210 5.2210 5.7181 5.7181 6.2573 6.2573 6.3663 6.3663 6.4164 6.4164 6.6149 6.6149 6.8945 6.8945 7.6901 7.6901 7.9423 7.9423 9.3435 9.3435 9.6558 9.6558 12.2888 12.2888 12.3694 12.3694 13.2014 13.2014 13.3898 13.3898 13.6078 13.6078 k = 0.2889 0.5004 0.3207 ( 4954 PWs) bands (ev): -30.5104 -30.5104 -30.5104 -30.5104 -11.8445 -11.8445 -11.8375 -11.8375 -11.4781 -11.4781 -11.4738 -11.4738 -11.4668 -11.4668 -11.4576 -11.4576 -0.5479 -0.5479 -0.5309 -0.5309 4.5488 4.5488 4.6517 4.6517 4.8092 4.8092 4.9626 4.9626 5.0910 5.0910 5.2184 5.2184 5.7383 5.7383 6.2501 6.2501 6.3674 6.3674 6.4342 6.4342 6.6202 6.6202 6.8823 6.8823 7.7300 7.7300 7.9726 7.9726 9.3416 9.3416 9.6516 9.6516 12.2864 12.2864 12.3676 12.3676 13.1725 13.1725 13.3764 13.3764 13.6367 13.6367 k = 0.2815 0.4875 0.3207 ( 4948 PWs) bands (ev): -30.5104 -30.5104 -30.5104 -30.5104 -11.8443 -11.8443 -11.8374 -11.8374 -11.4782 -11.4782 -11.4740 -11.4740 -11.4661 -11.4661 -11.4573 -11.4573 -0.5551 -0.5551 -0.5386 -0.5386 4.5392 4.5392 4.6350 4.6350 4.8061 4.8061 4.9568 4.9568 5.1064 5.1064 5.2167 5.2167 5.7599 5.7599 6.2432 6.2432 6.3657 6.3657 6.4572 6.4572 6.6262 6.6262 6.8709 6.8709 7.7748 7.7748 8.0078 8.0078 9.3397 9.3397 9.6466 9.6466 12.2833 12.2833 12.3665 12.3665 13.1417 13.1417 13.3567 13.3567 13.6660 13.6660 k = 0.2741 0.4747 0.3207 ( 4936 PWs) bands (ev): -30.5105 -30.5105 -30.5104 -30.5104 -11.8441 -11.8441 -11.8374 -11.8374 -11.4783 -11.4783 -11.4741 -11.4741 -11.4654 -11.4654 -11.4570 -11.4570 -0.5635 -0.5635 -0.5476 -0.5476 4.5289 4.5289 4.6184 4.6184 4.8021 4.8021 4.9513 4.9513 5.1210 5.1210 5.2160 5.2160 5.7826 5.7826 6.2362 6.2362 6.3631 6.3631 6.4834 6.4834 6.6330 6.6330 6.8614 6.8614 7.8241 7.8241 8.0474 8.0474 9.3377 9.3377 9.6410 9.6410 12.2795 12.2795 12.3666 12.3666 13.1093 13.1093 13.3312 13.3312 13.6877 13.6877 k = 0.2667 0.4619 0.3207 ( 4944 PWs) bands (ev): -30.5105 -30.5105 -30.5104 -30.5104 -11.8439 -11.8439 -11.8373 -11.8373 -11.4785 -11.4785 -11.4742 -11.4742 -11.4648 -11.4648 -11.4567 -11.4567 -0.5733 -0.5733 -0.5579 -0.5579 4.5181 4.5181 4.6023 4.6023 4.7974 4.7974 4.9459 4.9459 5.1346 5.1346 5.2161 5.2161 5.8057 5.8057 6.2289 6.2289 6.3606 6.3606 6.5115 6.5115 6.6408 6.6408 6.8548 6.8548 7.8774 7.8774 8.0912 8.0912 9.3358 9.3358 9.6347 9.6347 12.2751 12.2751 12.3680 12.3680 13.0757 13.0757 13.3009 13.3009 13.6974 13.6974 k = 0.2593 0.4491 0.3207 ( 4952 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8437 -11.8437 -11.8373 -11.8373 -11.4786 -11.4786 -11.4742 -11.4742 -11.4641 -11.4641 -11.4563 -11.4563 -0.5844 -0.5844 -0.5696 -0.5696 4.5071 4.5071 4.5872 4.5872 4.7921 4.7921 4.9406 4.9406 5.1470 5.1470 5.2170 5.2170 5.8287 5.8287 6.2210 6.2210 6.3587 6.3587 6.5397 6.5397 6.6505 6.6505 6.8524 6.8524 7.9343 7.9343 8.1390 8.1390 9.3340 9.3340 9.6278 9.6278 12.2703 12.2703 12.3710 12.3710 13.0409 13.0409 13.2669 13.2669 13.6966 13.6966 k = 0.2519 0.4362 0.3207 ( 4956 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8434 -11.8434 -11.8372 -11.8372 -11.4788 -11.4788 -11.4742 -11.4742 -11.4633 -11.4633 -11.4560 -11.4560 -0.5967 -0.5967 -0.5826 -0.5826 4.4962 4.4962 4.5733 4.5733 4.7864 4.7864 4.9355 4.9355 5.1579 5.1579 5.2183 5.2183 5.8513 5.8513 6.2125 6.2125 6.3576 6.3576 6.5646 6.5646 6.6648 6.6648 6.8554 6.8554 7.9944 7.9944 8.1903 8.1903 9.3325 9.3325 9.6205 9.6205 12.2652 12.2652 12.3757 12.3757 13.0052 13.0052 13.2302 13.2302 13.6818 13.6818 k = 0.2444 0.4234 0.3207 ( 4964 PWs) bands (ev): -30.5106 -30.5106 -30.5105 -30.5105 -11.8432 -11.8432 -11.8371 -11.8371 -11.4789 -11.4789 -11.4742 -11.4742 -11.4626 -11.4626 -11.4556 -11.4556 -0.6103 -0.6103 -0.5969 -0.5969 4.4855 4.4855 4.5608 4.5608 4.7803 4.7803 4.9303 4.9303 5.1673 5.1673 5.2199 5.2199 5.8732 5.8732 6.2032 6.2032 6.3573 6.3573 6.5816 6.5816 6.6877 6.6877 6.8648 6.8648 8.0575 8.0575 8.2450 8.2450 9.3314 9.3314 9.6127 9.6127 12.2600 12.2600 12.3823 12.3823 12.9688 12.9688 13.1917 13.1917 13.6516 13.6516 k = 0.2370 0.4106 0.3207 ( 4954 PWs) bands (ev): -30.5106 -30.5106 -30.5106 -30.5106 -11.8429 -11.8429 -11.8370 -11.8370 -11.4790 -11.4790 -11.4740 -11.4740 -11.4618 -11.4618 -11.4552 -11.4552 -0.6250 -0.6250 -0.6123 -0.6123 4.4754 4.4754 4.5499 4.5499 4.7741 4.7741 4.9251 4.9251 5.1753 5.1753 5.2215 5.2215 5.8940 5.8940 6.1932 6.1932 6.3577 6.3577 6.5887 6.5887 6.7212 6.7212 6.8809 6.8809 8.1233 8.1233 8.3026 8.3026 9.3309 9.3309 9.6046 9.6046 12.2548 12.2548 12.3907 12.3907 12.9317 12.9317 13.1519 13.1519 13.6097 13.6097 k = 0.2296 0.3977 0.3207 ( 4958 PWs) bands (ev): -30.5107 -30.5107 -30.5106 -30.5106 -11.8426 -11.8426 -11.8369 -11.8369 -11.4790 -11.4790 -11.4739 -11.4739 -11.4610 -11.4610 -11.4547 -11.4547 -0.6409 -0.6409 -0.6288 -0.6288 4.4661 4.4661 4.5405 4.5405 4.7676 4.7676 4.9199 4.9199 5.1819 5.1819 5.2230 5.2230 5.9136 5.9136 6.1827 6.1827 6.3587 6.3587 6.5880 6.5880 6.7630 6.7630 6.9039 6.9039 8.1914 8.1914 8.3629 8.3629 9.3311 9.3311 9.5963 9.5963 12.2496 12.2496 12.4009 12.4009 12.8942 12.8942 13.1114 13.1114 13.5609 13.5609 k = 0.2222 0.3849 0.3207 ( 4950 PWs) bands (ev): -30.5107 -30.5107 -30.5106 -30.5106 -11.8423 -11.8423 -11.8367 -11.8367 -11.4791 -11.4791 -11.4738 -11.4738 -11.4602 -11.4602 -11.4543 -11.4543 -0.6579 -0.6579 -0.6464 -0.6464 4.4577 4.4577 4.5328 4.5328 4.7612 4.7612 4.9145 4.9145 5.1871 5.1871 5.2241 5.2241 5.9317 5.9317 6.1718 6.1718 6.3600 6.3600 6.5825 6.5825 6.8109 6.8109 6.9334 6.9334 8.2616 8.2616 8.4254 8.4254 9.3323 9.3323 9.5880 9.5880 12.2444 12.2444 12.4129 12.4129 12.8561 12.8561 13.0706 13.0706 13.5090 13.5090 k = 0.2148 0.3721 0.3207 ( 4956 PWs) bands (ev): -30.5107 -30.5107 -30.5107 -30.5107 -11.8419 -11.8419 -11.8365 -11.8365 -11.4791 -11.4791 -11.4737 -11.4737 -11.4594 -11.4594 -11.4538 -11.4538 -0.6758 -0.6758 -0.6650 -0.6650 4.4505 4.4505 4.5266 4.5266 4.7548 4.7548 4.9088 4.9088 5.1910 5.1910 5.2247 5.2247 5.9482 5.9482 6.1607 6.1607 6.3615 6.3615 6.5739 6.5739 6.8632 6.8632 6.9691 6.9691 8.3335 8.3335 8.4897 8.4897 9.3347 9.3347 9.5799 9.5799 12.2391 12.2391 12.4265 12.4265 12.8177 12.8177 13.0299 13.0299 13.4565 13.4565 k = 0.2074 0.3592 0.3207 ( 4948 PWs) bands (ev): -30.5108 -30.5108 -30.5107 -30.5107 -11.8416 -11.8416 -11.8363 -11.8363 -11.4790 -11.4790 -11.4735 -11.4735 -11.4585 -11.4585 -11.4533 -11.4533 -0.6946 -0.6946 -0.6845 -0.6845 4.4445 4.4445 4.5219 4.5219 4.7484 4.7484 4.9030 4.9030 5.1937 5.1937 5.2248 5.2248 5.9632 5.9632 6.1495 6.1495 6.3629 6.3629 6.5634 6.5634 6.9193 6.9193 7.0104 7.0104 8.4068 8.4068 8.5555 8.5555 9.3387 9.3387 9.5722 9.5722 12.2334 12.2334 12.4417 12.4417 12.7789 12.7789 12.9895 12.9895 13.4052 13.4052 k = 0.2000 0.3464 0.3207 ( 4948 PWs) bands (ev): -30.5108 -30.5108 -30.5108 -30.5108 -11.8413 -11.8413 -11.8361 -11.8361 -11.4790 -11.4790 -11.4733 -11.4733 -11.4577 -11.4577 -11.4528 -11.4528 -0.7142 -0.7142 -0.7047 -0.7047 4.4399 4.4399 4.5187 4.5187 4.7423 4.7423 4.8968 4.8968 5.1953 5.1953 5.2242 5.2242 5.9765 5.9765 6.1386 6.1386 6.3641 6.3641 6.5517 6.5517 6.9784 6.9784 7.0570 7.0570 8.4808 8.4808 8.6223 8.6223 9.3446 9.3446 9.5652 9.5652 12.2269 12.2269 12.4581 12.4581 12.7397 12.7397 12.9498 12.9498 13.3563 13.3563 k = 0.1926 0.3336 0.3207 ( 4956 PWs) bands (ev): -30.5109 -30.5109 -30.5108 -30.5108 -11.8409 -11.8409 -11.8359 -11.8359 -11.4789 -11.4789 -11.4732 -11.4732 -11.4568 -11.4568 -11.4523 -11.4523 -0.7346 -0.7346 -0.7256 -0.7256 4.4367 4.4367 4.5167 4.5167 4.7363 4.7363 4.8903 4.8903 5.1960 5.1960 5.2231 5.2231 5.9881 5.9881 6.1281 6.1281 6.3651 6.3651 6.5393 6.5393 7.0403 7.0403 7.1084 7.1084 8.5552 8.5552 8.6896 8.6896 9.3531 9.3531 9.5594 9.5594 12.2192 12.2192 12.4755 12.4755 12.7001 12.7001 12.9114 12.9114 13.3107 13.3107 k = 0.1852 0.3208 0.3207 ( 4952 PWs) bands (ev): -30.5109 -30.5109 -30.5109 -30.5109 -11.8406 -11.8406 -11.8356 -11.8356 -11.4787 -11.4787 -11.4730 -11.4730 -11.4559 -11.4559 -11.4517 -11.4517 -0.7555 -0.7555 -0.7470 -0.7470 4.4349 4.4349 4.5159 4.5159 4.7305 4.7305 4.8835 4.8835 5.1957 5.1957 5.2214 5.2214 5.9981 5.9981 6.1182 6.1182 6.3658 6.3658 6.5263 6.5263 7.1045 7.1045 7.1641 7.1641 8.6290 8.6290 8.7568 8.7568 9.3647 9.3647 9.5552 9.5552 12.2098 12.2098 12.4937 12.4937 12.6597 12.6597 12.8747 12.8747 13.2692 13.2692 k = 0.1778 0.3079 0.3207 ( 4960 PWs) bands (ev): -30.5110 -30.5110 -30.5110 -30.5110 -11.8403 -11.8403 -11.8354 -11.8354 -11.4786 -11.4786 -11.4728 -11.4728 -11.4550 -11.4550 -11.4512 -11.4512 -0.7768 -0.7768 -0.7689 -0.7689 4.4345 4.4345 4.5162 4.5162 4.7251 4.7251 4.8763 4.8763 5.1946 5.1946 5.2191 5.2191 6.0064 6.0064 6.1090 6.1090 6.3660 6.3660 6.5131 6.5131 7.1706 7.1706 7.2237 7.2237 8.7015 8.7015 8.8234 8.8234 9.3802 9.3802 9.5533 9.5533 12.1980 12.1980 12.5120 12.5120 12.6184 12.6184 12.8405 12.8405 13.2323 13.2323 k = 0.1704 0.2951 0.3207 ( 4956 PWs) bands (ev): -30.5110 -30.5110 -30.5110 -30.5110 -11.8399 -11.8399 -11.8351 -11.8351 -11.4784 -11.4784 -11.4727 -11.4727 -11.4541 -11.4541 -11.4506 -11.4506 -0.7985 -0.7985 -0.7910 -0.7910 4.4354 4.4354 4.5175 4.5175 4.7201 4.7201 4.8688 4.8688 5.1929 5.1929 5.2162 5.2162 6.0131 6.0131 6.1009 6.1009 6.3659 6.3659 6.4998 6.4998 7.2384 7.2384 7.2868 7.2868 8.7715 8.7715 8.8890 8.8890 9.4001 9.4001 9.5546 9.5546 12.1835 12.1835 12.5299 12.5299 12.5760 12.5760 12.8097 12.8097 13.2003 13.2003 k = 0.1630 0.2823 0.3207 ( 4956 PWs) bands (ev): -30.5111 -30.5111 -30.5111 -30.5111 -11.8395 -11.8395 -11.8348 -11.8348 -11.4782 -11.4782 -11.4725 -11.4725 -11.4532 -11.4532 -11.4500 -11.4500 -0.8203 -0.8203 -0.8133 -0.8133 4.4376 4.4376 4.5195 4.5195 4.7154 4.7154 4.8609 4.8609 5.1906 5.1906 5.2127 5.2127 6.0179 6.0179 6.0940 6.0940 6.3654 6.3654 6.4865 6.4865 7.3075 7.3075 7.3527 7.3527 8.8376 8.8376 8.9530 8.9530 9.4253 9.4253 9.5601 9.5601 12.1657 12.1657 12.5283 12.5283 12.5507 12.5507 12.7829 12.7829 13.1732 13.1732 k = 0.1556 0.2694 0.3207 ( 4960 PWs) bands (ev): -30.5111 -30.5111 -30.5111 -30.5111 -11.8392 -11.8392 -11.8346 -11.8346 -11.4780 -11.4780 -11.4724 -11.4724 -11.4523 -11.4523 -11.4494 -11.4494 -0.8423 -0.8423 -0.8356 -0.8356 4.4411 4.4411 4.5221 4.5221 4.7113 4.7113 4.8527 4.8527 5.1879 5.1879 5.2088 5.2088 6.0210 6.0210 6.0885 6.0885 6.3644 6.3644 6.4732 6.4732 7.3775 7.3775 7.4209 7.4209 8.8987 8.8987 9.0150 9.0150 9.4561 9.4561 9.5713 9.5713 12.1444 12.1444 12.4828 12.4828 12.5660 12.5660 12.7608 12.7608 13.1508 13.1508 k = 0.1481 0.2566 0.3207 ( 4976 PWs) bands (ev): -30.5112 -30.5112 -30.5112 -30.5112 -11.8388 -11.8388 -11.8343 -11.8343 -11.4778 -11.4778 -11.4723 -11.4723 -11.4514 -11.4514 -11.4488 -11.4488 -0.8642 -0.8642 -0.8579 -0.8579 4.4456 4.4456 4.5252 4.5252 4.7077 4.7077 4.8442 4.8442 5.1848 5.1848 5.2045 5.2045 6.0224 6.0224 6.0845 6.0845 6.3630 6.3630 6.4602 6.4602 7.4480 7.4480 7.4908 7.4908 8.9541 8.9541 9.0742 9.0742 9.4923 9.4923 9.5899 9.5899 12.1193 12.1193 12.4335 12.4335 12.5813 12.5813 12.7434 12.7434 13.1327 13.1327 k = 0.1407 0.2438 0.3207 ( 4976 PWs) bands (ev): -30.5113 -30.5113 -30.5112 -30.5112 -11.8385 -11.8385 -11.8341 -11.8341 -11.4776 -11.4776 -11.4722 -11.4722 -11.4505 -11.4505 -11.4482 -11.4482 -0.8859 -0.8859 -0.8799 -0.8799 4.4512 4.4512 4.5286 4.5286 4.7047 4.7047 4.8355 4.8355 5.1814 5.1814 5.1998 5.1998 6.0223 6.0223 6.0819 6.0819 6.3613 6.3613 6.4473 6.4473 7.5186 7.5186 7.5617 7.5617 9.0037 9.0037 9.1295 9.1295 9.5335 9.5335 9.6174 9.6174 12.0906 12.0906 12.3817 12.3817 12.5950 12.5950 12.7309 12.7309 13.1182 13.1182 k = 0.1333 0.2309 0.3207 ( 4974 PWs) bands (ev): -30.5113 -30.5113 -30.5113 -30.5113 -11.8381 -11.8381 -11.8338 -11.8338 -11.4773 -11.4773 -11.4720 -11.4720 -11.4496 -11.4496 -11.4476 -11.4476 -0.9072 -0.9072 -0.9016 -0.9016 4.4576 4.4576 4.5321 4.5321 4.7024 4.7024 4.8267 4.8267 5.1778 5.1778 5.1948 5.1948 6.0211 6.0211 6.0803 6.0803 6.3592 6.3592 6.4347 6.4347 7.5887 7.5887 7.6327 7.6327 9.0486 9.0486 9.1799 9.1799 9.5794 9.5794 9.6548 9.6548 12.0583 12.0583 12.3274 12.3274 12.6071 12.6071 12.7229 12.7229 13.1064 13.1064 k = 0.1259 0.2181 0.3207 ( 4972 PWs) bands (ev): -30.5114 -30.5114 -30.5114 -30.5114 -11.8377 -11.8377 -11.8336 -11.8336 -11.4771 -11.4771 -11.4720 -11.4720 -11.4487 -11.4487 -11.4469 -11.4469 -0.9282 -0.9282 -0.9229 -0.9229 4.4648 4.4648 4.5356 4.5356 4.7008 4.7008 4.8177 4.8177 5.1740 5.1740 5.1895 5.1895 6.0193 6.0193 6.0795 6.0795 6.3567 6.3567 6.4224 6.4224 7.6579 7.6579 7.7031 7.7031 9.0900 9.0900 9.2249 9.2249 9.6299 9.6299 9.7012 9.7012 12.0225 12.0225 12.2706 12.2706 12.6175 12.6175 12.7188 12.7188 13.0962 13.0962 k = 0.1185 0.2053 0.3207 ( 4972 PWs) bands (ev): -30.5114 -30.5114 -30.5114 -30.5114 -11.8374 -11.8374 -11.8333 -11.8333 -11.4768 -11.4768 -11.4719 -11.4719 -11.4478 -11.4478 -11.4463 -11.4463 -0.9486 -0.9486 -0.9436 -0.9436 4.4725 4.4725 4.5389 4.5389 4.6999 4.6999 4.8087 4.8087 5.1702 5.1702 5.1841 5.1841 6.0172 6.0172 6.0791 6.0791 6.3540 6.3540 6.4105 6.4105 7.7255 7.7255 7.7721 7.7721 9.1298 9.1298 9.2652 9.2652 9.6854 9.6854 9.7546 9.7546 11.9833 11.9833 12.2114 12.2114 12.6268 12.6268 12.7181 12.7181 13.0866 13.0866 k = 0.1111 0.1925 0.3207 ( 4968 PWs) bands (ev): -30.5115 -30.5115 -30.5115 -30.5115 -11.8370 -11.8370 -11.8331 -11.8331 -11.4765 -11.4765 -11.4718 -11.4718 -11.4469 -11.4469 -11.4457 -11.4457 -0.9683 -0.9683 -0.9636 -0.9636 4.4808 4.4808 4.5420 4.5420 4.6998 4.6998 4.7999 4.7999 5.1662 5.1662 5.1786 5.1786 6.0151 6.0151 6.0788 6.0788 6.3511 6.3511 6.3991 6.3991 7.7909 7.7909 7.8388 7.8388 9.1694 9.1694 9.3021 9.3021 9.7454 9.7454 9.8128 9.8128 11.9407 11.9407 12.1496 12.1496 12.6354 12.6354 12.7203 12.7203 13.0764 13.0764 k = 0.1037 0.1796 0.3207 ( 4972 PWs) bands (ev): -30.5115 -30.5115 -30.5115 -30.5115 -11.8366 -11.8366 -11.8329 -11.8329 -11.4762 -11.4762 -11.4718 -11.4718 -11.4461 -11.4461 -11.4451 -11.4451 -0.9873 -0.9873 -0.9829 -0.9829 4.4893 4.4893 4.5448 4.5448 4.7004 4.7004 4.7912 4.7912 5.1623 5.1623 5.1730 5.1730 6.0133 6.0133 6.0785 6.0785 6.3479 6.3479 6.3882 6.3882 7.8534 7.8534 7.9024 7.9024 9.2101 9.2101 9.3374 9.3374 9.8091 9.8091 9.8737 9.8737 11.8945 11.8945 12.0852 12.0852 12.6440 12.6440 12.7247 12.7247 13.0649 13.0649 k = 0.0963 0.1668 0.3207 ( 4976 PWs) bands (ev): -30.5116 -30.5116 -30.5116 -30.5116 -11.8363 -11.8363 -11.8327 -11.8327 -11.4760 -11.4760 -11.4718 -11.4718 -11.4453 -11.4453 -11.4445 -11.4445 -1.0054 -1.0054 -1.0013 -1.0013 4.4979 4.4979 4.5471 4.5471 4.7016 4.7016 4.7828 4.7828 5.1583 5.1583 5.1675 5.1675 6.0120 6.0120 6.0779 6.0779 6.3446 6.3446 6.3778 6.3778 7.9123 7.9123 7.9621 7.9621 9.2530 9.2530 9.3729 9.3729 9.8753 9.8753 9.9361 9.9361 11.8446 11.8446 12.0179 12.0179 12.6532 12.6532 12.7311 12.7311 13.0514 13.0514 k = 0.0889 0.1540 0.3207 ( 4988 PWs) bands (ev): -30.5116 -30.5116 -30.5116 -30.5116 -11.8359 -11.8359 -11.8326 -11.8326 -11.4757 -11.4757 -11.4718 -11.4718 -11.4446 -11.4446 -11.4439 -11.4439 -1.0226 -1.0226 -1.0187 -1.0187 4.5065 4.5065 4.5491 4.5491 4.7034 4.7034 4.7749 4.7749 5.1544 5.1544 5.1621 5.1621 6.0112 6.0112 6.0770 6.0770 6.3411 6.3411 6.3680 6.3680 7.9671 7.9671 8.0171 8.0171 9.2988 9.2988 9.4100 9.4100 9.9427 9.9427 9.9990 9.9990 11.7907 11.7907 11.9475 11.9475 12.6633 12.6633 12.7391 12.7391 13.0357 13.0357 k = 0.0815 0.1411 0.3207 ( 4992 PWs) bands (ev): -30.5117 -30.5117 -30.5117 -30.5117 -11.8356 -11.8356 -11.8325 -11.8325 -11.4755 -11.4755 -11.4718 -11.4718 -11.4439 -11.4439 -11.4434 -11.4434 -1.0387 -1.0387 -1.0351 -1.0351 4.5149 4.5149 4.5508 4.5508 4.7056 4.7056 4.7675 4.7675 5.1506 5.1506 5.1569 5.1569 6.0109 6.0109 6.0758 6.0758 6.3376 6.3376 6.3589 6.3589 8.0174 8.0174 8.0670 8.0670 9.3476 9.3476 9.4496 9.4496 10.0106 10.0106 10.0619 10.0619 11.7326 11.7326 11.8738 11.8738 12.6747 12.6747 12.7484 12.7484 13.0181 13.0181 k = 0.0741 0.1283 0.3207 ( 4988 PWs) bands (ev): -30.5117 -30.5117 -30.5117 -30.5117 -11.8353 -11.8353 -11.8323 -11.8323 -11.4752 -11.4752 -11.4718 -11.4718 -11.4432 -11.4432 -11.4428 -11.4428 -1.0536 -1.0536 -1.0504 -1.0504 4.5229 4.5229 4.5522 4.5522 4.7081 4.7081 4.7607 4.7607 5.1469 5.1469 5.1519 5.1519 6.0113 6.0113 6.0742 6.0742 6.3341 6.3341 6.3505 6.3505 8.0629 8.0629 8.1112 8.1112 9.3994 9.3994 9.4920 9.4920 10.0783 10.0783 10.1244 10.1244 11.6701 11.6701 11.7968 11.7968 12.6874 12.6874 12.7588 12.7588 12.9990 12.9990 k = 0.0667 0.1155 0.3207 ( 4994 PWs) bands (ev): -30.5118 -30.5118 -30.5118 -30.5118 -11.8349 -11.8349 -11.8323 -11.8323 -11.4750 -11.4750 -11.4719 -11.4719 -11.4426 -11.4426 -11.4423 -11.4423 -1.0674 -1.0674 -1.0644 -1.0644 4.5303 4.5303 4.5533 4.5533 4.7107 4.7107 4.7547 4.7547 5.1433 5.1433 5.1471 5.1471 6.0122 6.0122 6.0723 6.0723 6.3306 6.3306 6.3428 6.3428 8.1033 8.1033 8.1496 8.1496 9.4536 9.4536 9.5370 9.5370 10.1455 10.1455 10.1865 10.1865 11.6033 11.6033 11.7164 11.7164 12.7012 12.7012 12.7698 12.7698 12.9793 12.9793 k = 0.0593 0.1026 0.3207 ( 4978 PWs) bands (ev): -30.5118 -30.5118 -30.5118 -30.5118 -11.8346 -11.8346 -11.8322 -11.8322 -11.4747 -11.4747 -11.4719 -11.4719 -11.4420 -11.4420 -11.4418 -11.4418 -1.0798 -1.0798 -1.0771 -1.0771 4.5370 4.5370 4.5543 4.5543 4.7134 4.7134 4.7495 4.7495 5.1400 5.1400 5.1427 5.1427 6.0137 6.0137 6.0699 6.0699 6.3272 6.3272 6.3360 6.3360 8.1388 8.1388 8.1822 8.1822 9.5093 9.5093 9.5838 9.5838 10.2123 10.2123 10.2483 10.2483 11.5323 11.5323 11.6327 11.6327 12.7157 12.7157 12.7806 12.7806 12.9603 12.9603 k = 0.0519 0.0898 0.3207 ( 4978 PWs) bands (ev): -30.5118 -30.5118 -30.5118 -30.5118 -11.8343 -11.8343 -11.8321 -11.8321 -11.4744 -11.4744 -11.4720 -11.4720 -11.4415 -11.4415 -11.4414 -11.4414 -1.0909 -1.0909 -1.0886 -1.0886 4.5429 4.5429 4.5551 4.5551 4.7160 4.7160 4.7451 4.7451 5.1368 5.1368 5.1387 5.1387 6.0157 6.0157 6.0672 6.0672 6.3240 6.3240 6.3300 6.3300 8.1695 8.1695 8.2092 8.2092 9.5650 9.5650 9.6312 9.6312 10.2788 10.2788 10.3102 10.3102 11.4576 11.4576 11.5461 11.5461 12.7303 12.7303 12.7901 12.7901 12.9436 12.9436 k = 0.0444 0.0770 0.3207 ( 4976 PWs) bands (ev): -30.5119 -30.5119 -30.5118 -30.5118 -11.8340 -11.8340 -11.8321 -11.8321 -11.4742 -11.4742 -11.4721 -11.4721 -11.4411 -11.4411 -11.4410 -11.4410 -1.1006 -1.1006 -1.0986 -1.0986 4.5478 4.5478 4.5560 4.5560 4.7184 4.7184 4.7415 4.7415 5.1339 5.1339 5.1352 5.1352 6.0183 6.0183 6.0641 6.0641 6.3210 6.3210 6.3249 6.3249 8.1957 8.1957 8.2311 8.2311 9.6192 9.6192 9.6774 9.6774 10.3456 10.3456 10.3723 10.3723 11.3800 11.3800 11.4571 11.4571 12.7440 12.7440 12.7969 12.7969 12.9312 12.9312 k = 0.0370 0.0642 0.3207 ( 4974 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8337 -11.8337 -11.8322 -11.8322 -11.4739 -11.4739 -11.4722 -11.4722 -11.4407 -11.4407 -11.4407 -11.4407 -1.1089 -1.1089 -1.1072 -1.1072 4.5518 4.5518 4.5567 4.5567 4.7206 4.7206 4.7387 4.7387 5.1314 5.1314 5.1321 5.1321 6.0213 6.0213 6.0607 6.0607 6.3183 6.3183 6.3206 6.3206 8.2176 8.2176 8.2480 8.2480 9.6702 9.6702 9.7202 9.7202 10.4132 10.4132 10.4351 10.4351 11.3006 11.3006 11.3667 11.3667 12.7559 12.7559 12.7997 12.7997 12.9245 12.9245 k = 0.0296 0.0513 0.3207 ( 4966 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8334 -11.8334 -11.8322 -11.8322 -11.4737 -11.4737 -11.4723 -11.4723 -11.4404 -11.4404 -11.4404 -11.4404 -1.1157 -1.1157 -1.1143 -1.1143 4.5549 4.5549 4.5575 4.5575 4.7227 4.7227 4.7364 4.7364 5.1292 5.1292 5.1296 5.1296 6.0246 6.0246 6.0570 6.0570 6.3159 6.3159 6.3171 6.3171 8.2356 8.2356 8.2606 8.2606 9.7162 9.7162 9.7576 9.7576 10.4817 10.4817 10.4984 10.4984 11.2212 11.2212 11.2764 11.2764 12.7651 12.7651 12.7986 12.7986 12.9233 12.9233 k = 0.0222 0.0385 0.3207 ( 4962 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8332 -11.8332 -11.8322 -11.8322 -11.4735 -11.4735 -11.4724 -11.4724 -11.4402 -11.4402 -11.4401 -11.4401 -1.1209 -1.1209 -1.1199 -1.1199 4.5570 4.5570 4.5581 4.5581 4.7247 4.7247 4.7346 4.7346 5.1274 5.1274 5.1276 5.1276 6.0283 6.0283 6.0531 6.0531 6.3140 6.3140 6.3145 6.3145 8.2500 8.2500 8.2691 8.2691 9.7554 9.7554 9.7875 9.7875 10.5503 10.5503 10.5613 10.5613 11.1443 11.1443 11.1884 11.1884 12.7713 12.7713 12.7948 12.7948 12.9256 12.9258 k = 0.0148 0.0257 0.3207 ( 4954 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8330 -11.8330 -11.8323 -11.8323 -11.4733 -11.4733 -11.4726 -11.4726 -11.4400 -11.4400 -11.4400 -11.4400 -1.1247 -1.1247 -1.1240 -1.1240 4.5584 4.5584 4.5587 4.5587 4.7265 4.7265 4.7329 4.7329 5.1261 5.1261 5.1262 5.1262 6.0322 6.0322 6.0490 6.0490 6.3125 6.3125 6.3127 6.3127 8.2611 8.2611 8.2740 8.2740 9.7863 9.7863 9.8083 9.8083 10.6157 10.6157 10.6210 10.6210 11.0749 11.0749 11.1070 11.1070 12.7754 12.7754 12.7901 12.7901 12.9290 12.9303 k = 0.0074 0.0128 0.3207 ( 4942 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8328 -11.8328 -11.8324 -11.8324 -11.4731 -11.4731 -11.4727 -11.4727 -11.4398 -11.4398 -11.4398 -11.4398 -1.1268 -1.1268 -1.1265 -1.1265 4.5591 4.5591 4.5592 4.5592 4.7282 4.7282 4.7314 4.7314 5.1253 5.1253 5.1253 5.1253 6.0363 6.0363 6.0448 6.0448 6.3116 6.3116 6.3116 6.3116 8.2690 8.2690 8.2755 8.2755 9.8077 9.8077 9.8189 9.8189 10.6685 10.6685 10.6695 10.6695 11.0231 11.0231 11.0410 11.0410 12.7785 12.7785 12.7855 12.7855 12.9316 12.9318 k = 0.0000 0.0000 0.3207 ( 4938 PWs) bands (ev): -30.5119 -30.5119 -30.5119 -30.5119 -11.8326 -11.8326 -11.8326 -11.8326 -11.4729 -11.4729 -11.4729 -11.4729 -11.4398 -11.4398 -11.4398 -11.4398 -1.1274 -1.1274 -1.1274 -1.1274 4.5593 4.5593 4.5593 4.5593 4.7298 4.7298 4.7298 4.7298 5.1250 5.1250 5.1250 5.1250 6.0405 6.0405 6.0405 6.0405 6.3113 6.3113 6.3113 6.3113 8.2738 8.2738 8.2738 8.2738 9.8187 9.8187 9.8187 9.8187 10.6903 10.6903 10.6903 10.6903 11.0080 11.0080 11.0080 11.0080 12.7817 12.7817 12.7817 12.7817 12.9325 12.9325 k = 0.5000 0.2887 0.3207 ( 4976 PWs) bands (ev): -30.5105 -30.5105 -30.5105 -30.5105 -11.8405 -11.8405 -11.8405 -11.8405 -11.4793 -11.4793 -11.4793 -11.4793 -11.4566 -11.4566 -11.4566 -11.4566 -0.5873 -0.5873 -0.5873 -0.5873 4.4241 4.4241 4.4241 4.4241 4.9266 4.9266 4.9266 4.9266 5.1218 5.1218 5.1218 5.1218 6.0595 6.0595 6.0595 6.0595 6.5106 6.5106 6.5106 6.5106 6.6473 6.6473 6.6473 6.6473 8.6372 8.6372 8.6372 8.6372 9.3900 9.3900 9.3900 9.3900 12.0647 12.0647 12.0647 12.0647 12.3752 12.3752 12.3752 12.3752 13.8515 13.8515 k = 0.5000 0.2887 0.3061 ( 4972 PWs) bands (ev): -30.5110 -30.5110 -30.5101 -30.5101 -11.8420 -11.8420 -11.8391 -11.8391 -11.4820 -11.4820 -11.4768 -11.4768 -11.4566 -11.4566 -11.4562 -11.4562 -0.5917 -0.5917 -0.5830 -0.5830 4.4144 4.4144 4.4350 4.4350 4.9203 4.9203 4.9334 4.9334 5.1140 5.1140 5.1303 5.1303 6.0544 6.0544 6.0647 6.0647 6.5046 6.5046 6.5168 6.5168 6.6395 6.6395 6.6552 6.6552 8.6143 8.6143 8.6582 8.6582 9.3164 9.3164 9.4592 9.4592 12.0200 12.0200 12.0649 12.0649 12.3670 12.3670 12.4360 12.4360 13.8323 13.8323 k = 0.5000 0.2887 0.2916 ( 4964 PWs) bands (ev): -30.5114 -30.5114 -30.5097 -30.5097 -11.8435 -11.8435 -11.8378 -11.8378 -11.4848 -11.4848 -11.4747 -11.4747 -11.4563 -11.4563 -11.4556 -11.4556 -0.5963 -0.5963 -0.5789 -0.5789 4.4058 4.4058 4.4468 4.4468 4.9147 4.9147 4.9408 4.9408 5.1068 5.1068 5.1396 5.1396 6.0496 6.0496 6.0702 6.0702 6.4989 6.4989 6.5232 6.5232 6.6317 6.6317 6.6631 6.6631 8.5896 8.5896 8.6773 8.6773 9.2400 9.2400 9.5223 9.5223 11.9506 11.9506 12.0282 12.0282 12.4062 12.4062 12.5270 12.5270 13.8135 13.8135 k = 0.5000 0.2887 0.2770 ( 4960 PWs) bands (ev): -30.5118 -30.5118 -30.5092 -30.5092 -11.8450 -11.8450 -11.8365 -11.8365 -11.4877 -11.4877 -11.4731 -11.4731 -11.4556 -11.4556 -11.4546 -11.4546 -0.6009 -0.6009 -0.5751 -0.5751 4.3984 4.3984 4.4594 4.4594 4.9098 4.9098 4.9486 4.9486 5.1003 5.1003 5.1497 5.1497 6.0447 6.0447 6.0760 6.0760 6.4935 6.4935 6.5298 6.5298 6.6239 6.6239 6.6711 6.6711 8.5627 8.5627 8.6941 8.6941 9.1624 9.1624 9.5778 9.5778 11.8737 11.8737 11.9781 11.9781 12.4686 12.4686 12.6312 12.6312 13.7961 13.7961 k = 0.5000 0.2887 0.2624 ( 4948 PWs) bands (ev): -30.5122 -30.5122 -30.5088 -30.5088 -11.8466 -11.8466 -11.8353 -11.8353 -11.4906 -11.4906 -11.4721 -11.4721 -11.4549 -11.4549 -11.4530 -11.4530 -0.6057 -0.6057 -0.5714 -0.5714 4.3923 4.3923 4.4726 4.4726 4.9056 4.9056 4.9568 4.9568 5.0945 5.0945 5.1607 5.1607 6.0399 6.0399 6.0822 6.0822 6.4884 6.4884 6.5365 6.5365 6.6162 6.6162 6.6792 6.6792 8.5335 8.5335 8.7081 8.7081 9.0858 9.0858 9.6243 9.6243 11.7981 11.7981 11.9269 11.9269 12.5410 12.5410 12.7396 12.7396 13.7810 13.7810 k = 0.5000 0.2887 0.2478 ( 4948 PWs) bands (ev): -30.5127 -30.5127 -30.5084 -30.5084 -11.8481 -11.8481 -11.8341 -11.8341 -11.4934 -11.4934 -11.4716 -11.4716 -11.4541 -11.4541 -11.4509 -11.4509 -0.6105 -0.6105 -0.5681 -0.5681 4.3874 4.3874 4.4863 4.4863 4.9022 4.9022 4.9652 4.9652 5.0893 5.0893 5.1727 5.1727 6.0351 6.0351 6.0889 6.0889 6.4835 6.4835 6.5433 6.5433 6.6087 6.6087 6.6873 6.6873 8.5012 8.5012 8.7183 8.7183 9.0127 9.0127 9.6606 9.6606 11.7282 11.7282 11.8789 11.8789 12.6181 12.6181 12.8466 12.8466 13.7691 13.7691 k = 0.5000 0.2887 0.2333 ( 4944 PWs) bands (ev): -30.5131 -30.5131 -30.5080 -30.5080 -11.8497 -11.8497 -11.8331 -11.8331 -11.4961 -11.4961 -11.4715 -11.4715 -11.4533 -11.4533 -11.4484 -11.4484 -0.6153 -0.6153 -0.5649 -0.5649 4.3837 4.3837 4.5001 4.5001 4.8996 4.8996 4.9737 4.9737 5.0847 5.0847 5.1857 5.1857 6.0301 6.0301 6.0961 6.0961 6.4791 6.4791 6.5498 6.5498 6.6016 6.6016 6.6954 6.6954 8.4652 8.4652 8.7225 8.7225 8.9471 8.9471 9.6858 9.6858 11.6660 11.6660 11.8368 11.8368 12.6974 12.6974 12.9475 12.9475 13.7610 13.7610 k = 0.5000 0.2887 0.2187 ( 4946 PWs) bands (ev): -30.5134 -30.5134 -30.5076 -30.5076 -11.8513 -11.8513 -11.8321 -11.8321 -11.4987 -11.4987 -11.4716 -11.4716 -11.4526 -11.4526 -11.4457 -11.4457 -0.6201 -0.6201 -0.5621 -0.5621 4.3810 4.3810 4.5139 4.5139 4.8978 4.8978 4.9820 4.9820 5.0810 5.0810 5.1997 5.1997 6.0250 6.0250 6.1038 6.1038 6.4749 6.4749 6.5556 6.5556 6.5953 6.5953 6.7036 6.7036 8.4246 8.4246 8.7168 8.7168 8.8945 8.8945 9.6995 9.6995 11.6116 11.6116 11.8023 11.8023 12.7774 12.7774 13.0378 13.0378 13.7563 13.7563 k = 0.5000 0.2887 0.2041 ( 4952 PWs) bands (ev): -30.5138 -30.5138 -30.5072 -30.5072 -11.8529 -11.8529 -11.8313 -11.8313 -11.5012 -11.5012 -11.4720 -11.4720 -11.4518 -11.4518 -11.4429 -11.4429 -0.6249 -0.6249 -0.5595 -0.5595 4.3794 4.3794 4.5274 4.5274 4.8969 4.8969 4.9899 4.9899 5.0783 5.0783 5.2149 5.2149 6.0197 6.0197 6.1120 6.1120 6.4711 6.4711 6.5593 6.5593 6.5912 6.5912 6.7118 6.7118 8.3784 8.3784 8.6972 8.6972 8.8605 8.8605 9.7019 9.7019 11.5643 11.5643 11.7770 11.7770 12.8565 12.8565 13.1137 13.1137 13.7527 13.7527 k = 0.5000 0.2887 0.1895 ( 4952 PWs) bands (ev): -30.5142 -30.5142 -30.5069 -30.5069 -11.8545 -11.8545 -11.8304 -11.8304 -11.5035 -11.5035 -11.4724 -11.4724 -11.4511 -11.4511 -11.4400 -11.4400 -0.6295 -0.6295 -0.5571 -0.5571 4.3787 4.3787 4.5403 4.5403 4.8969 4.8969 4.9969 4.9969 5.0768 5.0768 5.2311 5.2311 6.0142 6.0142 6.1208 6.1208 6.4675 6.4675 6.5591 6.5591 6.5914 6.5914 6.7199 6.7199 8.3264 8.3264 8.6659 8.6659 8.8441 8.8441 9.6940 9.6940 11.5225 11.5225 11.7621 11.7621 12.9332 12.9332 13.1736 13.1736 13.7483 13.7483 k = 0.5000 0.2887 0.1749 ( 4938 PWs) bands (ev): -30.5145 -30.5145 -30.5065 -30.5065 -11.8559 -11.8559 -11.8297 -11.8297 -11.5057 -11.5057 -11.4729 -11.4729 -11.4503 -11.4503 -11.4372 -11.4372 -0.6340 -0.6340 -0.5550 -0.5550 4.3788 4.3788 4.5525 4.5525 4.8977 4.8977 5.0025 5.0025 5.0768 5.0768 5.2483 5.2483 6.0084 6.0084 6.1302 6.1302 6.4642 6.4642 6.5546 6.5546 6.5960 6.5960 6.7280 6.7280 8.2691 8.2691 8.6308 8.6308 8.8377 8.8377 9.6774 9.6774 11.4851 11.4851 11.7578 11.7578 13.0052 13.0052 13.2192 13.2192 13.7425 13.7425 k = 0.5000 0.2887 0.1604 ( 4924 PWs) bands (ev): -30.5148 -30.5148 -30.5062 -30.5062 -11.8573 -11.8573 -11.8290 -11.8290 -11.5077 -11.5077 -11.4733 -11.4733 -11.4496 -11.4496 -11.4344 -11.4344 -0.6382 -0.6382 -0.5530 -0.5530 4.3795 4.3795 4.5637 4.5637 4.8993 4.8993 5.0065 5.0065 5.0786 5.0786 5.2664 5.2664 6.0024 6.0024 6.1401 6.1401 6.4612 6.4612 6.5479 6.5479 6.6032 6.6032 6.7359 6.7359 8.2076 8.2076 8.5973 8.5973 8.8352 8.8352 9.6541 9.6541 11.4508 11.4508 11.7635 11.7635 13.0688 13.0688 13.2561 13.2561 13.7360 13.7360 k = 0.5000 0.2887 0.1458 ( 4924 PWs) bands (ev): -30.5151 -30.5151 -30.5059 -30.5059 -11.8587 -11.8587 -11.8284 -11.8284 -11.5096 -11.5096 -11.4738 -11.4738 -11.4490 -11.4490 -11.4317 -11.4317 -0.6423 -0.6423 -0.5514 -0.5514 4.3807 4.3807 4.5739 4.5739 4.9018 4.9018 5.0086 5.0086 5.0821 5.0821 5.2852 5.2852 5.9962 5.9962 6.1504 6.1504 6.4583 6.4583 6.5401 6.5401 6.6117 6.6117 6.7435 6.7435 8.1439 8.1439 8.5674 8.5674 8.8336 8.8336 9.6261 9.6261 11.4193 11.4193 11.7776 11.7776 13.1189 13.1189 13.2925 13.2925 13.7294 13.7294 k = 0.5000 0.2887 0.1312 ( 4922 PWs) bands (ev): -30.5154 -30.5154 -30.5056 -30.5056 -11.8600 -11.8600 -11.8278 -11.8278 -11.5112 -11.5112 -11.4743 -11.4743 -11.4484 -11.4484 -11.4293 -11.4293 -0.6461 -0.6461 -0.5499 -0.5499 4.3823 4.3823 4.5829 4.5829 4.9049 4.9049 5.0090 5.0090 5.0871 5.0871 5.3044 5.3044 5.9897 5.9897 6.1611 6.1611 6.4555 6.4555 6.5320 6.5320 6.6211 6.6211 6.7507 6.7507 8.0799 8.0799 8.5415 8.5415 8.8315 8.8315 9.5956 9.5956 11.3904 11.3904 11.7983 11.7983 13.1516 13.1516 13.3350 13.3350 13.7232 13.7232 k = 0.5000 0.2887 0.1166 ( 4938 PWs) bands (ev): -30.5157 -30.5157 -30.5054 -30.5054 -11.8613 -11.8613 -11.8274 -11.8274 -11.5128 -11.5128 -11.4748 -11.4748 -11.4479 -11.4479 -11.4270 -11.4270 -0.6497 -0.6497 -0.5487 -0.5487 4.3841 4.3841 4.5908 4.5908 4.9085 4.9085 5.0080 5.0080 5.0930 5.0930 5.3238 5.3238 5.9831 5.9831 6.1718 6.1718 6.4529 6.4529 6.5238 6.5238 6.6309 6.6309 6.7576 6.7576 8.0174 8.0174 8.5192 8.5192 8.8284 8.8284 9.5646 9.5646 11.3642 11.3642 11.8233 11.8233 13.1686 13.1686 13.3838 13.3838 13.7179 13.7179 k = 0.5000 0.2887 0.1020 ( 4938 PWs) bands (ev): -30.5159 -30.5159 -30.5051 -30.5051 -11.8624 -11.8624 -11.8270 -11.8270 -11.5141 -11.5141 -11.4752 -11.4752 -11.4474 -11.4474 -11.4250 -11.4250 -0.6528 -0.6528 -0.5476 -0.5476 4.3861 4.3861 4.5975 4.5975 4.9126 4.9126 5.0061 5.0061 5.0993 5.0993 5.3428 5.3428 5.9766 5.9766 6.1826 6.1826 6.4502 6.4502 6.5159 6.5159 6.6410 6.6410 6.7638 6.7638 7.9579 7.9579 8.5003 8.5003 8.8242 8.8242 9.5347 9.5347 11.3407 11.3407 11.8505 11.8505 13.1756 13.1756 13.4345 13.4345 13.7137 13.7137 k = 0.5000 0.2887 0.0875 ( 4942 PWs) bands (ev): -30.5161 -30.5161 -30.5050 -30.5050 -11.8634 -11.8634 -11.8266 -11.8266 -11.5153 -11.5153 -11.4756 -11.4756 -11.4470 -11.4470 -11.4232 -11.4232 -0.6557 -0.6557 -0.5467 -0.5467 4.3881 4.3881 4.6031 4.6031 4.9169 4.9169 5.0035 5.0035 5.1055 5.1055 5.3610 5.3610 5.9701 5.9701 6.1930 6.1930 6.4475 6.4475 6.5086 6.5086 6.6511 6.6511 6.7693 6.7693 7.9031 7.9031 8.4843 8.4843 8.8189 8.8189 9.5072 9.5072 11.3202 11.3202 11.8782 11.8782 13.1771 13.1771 13.4827 13.4827 13.7111 13.7111 k = 0.5000 0.2887 0.0729 ( 4938 PWs) bands (ev): -30.5162 -30.5162 -30.5048 -30.5048 -11.8642 -11.8642 -11.8263 -11.8263 -11.5163 -11.5163 -11.4759 -11.4759 -11.4466 -11.4466 -11.4216 -11.4216 -0.6581 -0.6581 -0.5460 -0.5460 4.3899 4.3899 4.6077 4.6077 4.9213 4.9213 5.0006 5.0006 5.1113 5.1113 5.3779 5.3779 5.9640 5.9640 6.2028 6.2028 6.4448 6.4448 6.5020 6.5020 6.6608 6.6608 6.7741 6.7741 7.8540 7.8540 8.4711 8.4711 8.8130 8.8130 9.4832 9.4832 11.3026 11.3026 11.9046 11.9046 13.1759 13.1759 13.5255 13.5255 13.7105 13.7105 k = 0.5000 0.2887 0.0583 ( 4940 PWs) bands (ev): -30.5164 -30.5164 -30.5046 -30.5046 -11.8649 -11.8649 -11.8261 -11.8261 -11.5171 -11.5171 -11.4762 -11.4762 -11.4463 -11.4463 -11.4203 -11.4203 -0.6601 -0.6601 -0.5454 -0.5454 4.3915 4.3915 4.6113 4.6113 4.9255 4.9255 4.9976 4.9976 5.1165 5.1165 5.3929 5.3929 5.9585 5.9585 6.2117 6.2117 6.4420 6.4420 6.4965 6.4965 6.6698 6.6698 6.7780 6.7780 7.8120 7.8120 8.4604 8.4604 8.8071 8.8071 9.4631 9.4631 11.2882 11.2882 11.9283 11.9283 13.1736 13.1736 13.5607 13.5607 13.7123 13.7123 k = 0.5000 0.2887 0.0437 ( 4946 PWs) bands (ev): -30.5165 -30.5165 -30.5045 -30.5045 -11.8655 -11.8655 -11.8259 -11.8259 -11.5177 -11.5177 -11.4764 -11.4764 -11.4461 -11.4461 -11.4193 -11.4193 -0.6617 -0.6617 -0.5450 -0.5450 4.3929 4.3929 4.6140 4.6140 4.9293 4.9293 4.9948 4.9948 5.1206 5.1206 5.4053 5.4053 5.9537 5.9537 6.2192 6.2192 6.4394 6.4394 6.4921 6.4921 6.6776 6.6776 6.7810 6.7810 7.7780 7.7780 8.4522 8.4522 8.8015 8.8015 9.4473 9.4473 11.2769 11.2769 11.9480 11.9480 13.1711 13.1711 13.5870 13.5870 13.7165 13.7165 k = 0.5000 0.2887 0.0292 ( 4946 PWs) bands (ev): -30.5166 -30.5166 -30.5045 -30.5045 -11.8658 -11.8658 -11.8258 -11.8258 -11.5182 -11.5182 -11.4766 -11.4766 -11.4459 -11.4459 -11.4185 -11.4185 -0.6629 -0.6629 -0.5447 -0.5447 4.3939 4.3939 4.6159 4.6159 4.9323 4.9323 4.9925 4.9925 5.1237 5.1237 5.4146 5.4146 5.9501 5.9501 6.2249 6.2249 6.4372 6.4372 6.4889 6.4889 6.6836 6.6836 6.7831 6.7831 7.7530 7.7530 8.4464 8.4464 8.7971 8.7971 9.4360 9.4360 11.2688 11.2688 11.9627 11.9627 13.1690 13.1690 13.6042 13.6042 13.7220 13.7220 k = 0.5000 0.2887 0.0146 ( 4942 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8661 -11.8661 -11.8257 -11.8257 -11.5184 -11.5184 -11.4767 -11.4767 -11.4458 -11.4458 -11.4181 -11.4181 -0.6636 -0.6636 -0.5445 -0.5445 4.3945 4.3945 4.6170 4.6170 4.9343 4.9343 4.9909 4.9909 5.1256 5.1256 5.4204 5.4204 5.9479 5.9479 6.2285 6.2285 6.4357 6.4357 6.4871 6.4871 6.6875 6.6875 6.7843 6.7843 7.7376 7.7376 8.4429 8.4429 8.7942 8.7942 9.4293 9.4293 11.2639 11.2639 11.9719 11.9719 13.1676 13.1676 13.6135 13.6135 13.7268 13.7268 k = 0.5000 0.2887-0.0000 ( 4946 PWs) bands (ev): -30.5166 -30.5166 -30.5044 -30.5044 -11.8661 -11.8661 -11.8257 -11.8257 -11.5185 -11.5185 -11.4767 -11.4767 -11.4457 -11.4457 -11.4180 -11.4180 -0.6638 -0.6638 -0.5444 -0.5444 4.3948 4.3948 4.6173 4.6173 4.9350 4.9350 4.9903 4.9903 5.1263 5.1263 5.4224 5.4224 5.9471 5.9471 6.2298 6.2298 6.4352 6.4352 6.4865 6.4865 6.6888 6.6888 6.7847 6.7847 7.7325 7.7325 8.4418 8.4418 8.7932 8.7932 9.4270 9.4270 11.2623 11.2623 11.9750 11.9750 13.1671 13.1671 13.6163 13.6163 13.7287 13.7287 k = 0.3333 0.5774-0.0000 ( 4938 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8664 -11.8664 -11.8266 -11.8266 -11.5177 -11.5177 -11.4800 -11.4799 -11.4480 -11.4479 -11.4198 -11.4198 -0.5611 -0.5315 -0.5280 -0.5280 4.5932 4.7123 4.7123 4.8682 4.9561 4.9561 5.0712 5.1102 5.1102 5.1576 5.4637 5.4637 5.5115 5.5115 6.0411 6.2770 6.2770 6.4280 6.4280 6.5005 6.5982 6.5982 6.7759 6.9167 6.9167 7.0406 8.4746 8.4746 8.5856 8.6599 9.1084 9.1084 12.1680 12.6241 12.7288 12.7288 12.8300 12.8300 13.4764 13.4764 13.5297 13.7821 k = 0.3333 0.5774 0.0146 ( 4947 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8663 -11.8663 -11.8267 -11.8267 -11.5176 -11.5176 -11.4800 -11.4799 -11.4480 -11.4479 -11.4200 -11.4200 -0.5611 -0.5315 -0.5279 -0.5279 4.5930 4.7124 4.7124 4.8672 4.9556 4.9556 5.0703 5.1094 5.1094 5.1565 5.4579 5.4579 5.5167 5.5167 6.0421 6.2774 6.2774 6.4280 6.4280 6.4996 6.5980 6.5980 6.7769 6.9188 6.9188 7.0401 8.4750 8.4750 8.5891 8.6631 9.1086 9.1086 12.1682 12.6238 12.7301 12.7301 12.8294 12.8294 13.4788 13.4788 13.5280 13.7811 k = 0.3333 0.5774 0.0292 ( 4938 PWs) bands (ev): -30.5164 -30.5164 -30.5043 -30.5043 -11.8661 -11.8661 -11.8267 -11.8267 -11.5173 -11.5173 -11.4799 -11.4798 -11.4481 -11.4480 -11.4204 -11.4204 -0.5607 -0.5313 -0.5276 -0.5276 4.5923 4.7127 4.7127 4.8641 4.9543 4.9543 5.0677 5.1069 5.1069 5.1534 5.4446 5.4446 5.5281 5.5281 6.0452 6.2786 6.2786 6.4279 6.4279 6.4971 6.5972 6.5972 6.7798 6.9250 6.9250 7.0388 8.4759 8.4759 8.5997 8.6727 9.1093 9.1093 12.1689 12.6229 12.7338 12.7338 12.8279 12.8279 13.4859 13.4859 13.5230 13.7780 k = 0.3333 0.5774 0.0437 ( 4932 PWs) bands (ev): -30.5163 -30.5163 -30.5044 -30.5044 -11.8657 -11.8657 -11.8268 -11.8268 -11.5168 -11.5168 -11.4797 -11.4796 -11.4483 -11.4482 -11.4212 -11.4212 -0.5600 -0.5310 -0.5272 -0.5272 4.5912 4.7131 4.7131 4.8589 4.9521 4.9521 5.0636 5.1030 5.1030 5.1484 5.4286 5.4286 5.5411 5.5411 6.0501 6.2805 6.2805 6.4278 6.4278 6.4929 6.5960 6.5960 6.7843 6.9354 6.9354 7.0365 8.4768 8.4768 8.6171 8.6885 9.1112 9.1112 12.1699 12.6212 12.7394 12.7394 12.8260 12.8260 13.4973 13.4973 13.5148 13.7731 k = 0.3333 0.5774 0.0583 ( 4932 PWs) bands (ev): -30.5162 -30.5162 -30.5045 -30.5045 -11.8652 -11.8652 -11.8270 -11.8270 -11.5162 -11.5162 -11.4794 -11.4793 -11.4485 -11.4484 -11.4222 -11.4222 -0.5592 -0.5307 -0.5266 -0.5266 4.5898 4.7138 4.7138 4.8516 4.9488 4.9488 5.0583 5.0977 5.0977 5.1415 5.4116 5.4116 5.5542 5.5542 6.0569 6.2830 6.2830 6.4275 6.4275 6.4874 6.5947 6.5947 6.7904 6.9496 6.9496 7.0335 8.4766 8.4766 8.6410 8.7103 9.1153 9.1153 12.1714 12.6188 12.7454 12.7454 12.8249 12.8249 13.5035 13.5126 13.5126 13.7668 k = 0.3333 0.5774 0.0729 ( 4938 PWs) bands (ev): -30.5160 -30.5160 -30.5046 -30.5046 -11.8645 -11.8645 -11.8272 -11.8272 -11.5154 -11.5154 -11.4791 -11.4790 -11.4489 -11.4488 -11.4236 -11.4236 -0.5582 -0.5303 -0.5259 -0.5259 4.5879 4.7145 4.7145 4.8422 4.9444 4.9444 5.0521 5.0913 5.0913 5.1332 5.3944 5.3944 5.5667 5.5667 6.0652 6.2860 6.2860 6.4270 6.4270 6.4807 6.5933 6.5933 6.7976 6.9676 6.9676 7.0298 8.4739 8.4739 8.6710 8.7377 9.1227 9.1227 12.1732 12.6154 12.7491 12.7491 12.8270 12.8270 13.4892 13.5311 13.5311 13.7594 k = 0.3333 0.5774 0.0875 ( 4959 PWs) bands (ev): -30.5159 -30.5159 -30.5048 -30.5048 -11.8638 -11.8638 -11.8275 -11.8275 -11.5144 -11.5144 -11.4787 -11.4786 -11.4493 -11.4492 -11.4253 -11.4253 -0.5570 -0.5299 -0.5251 -0.5251 4.5856 4.7154 4.7154 4.8306 4.9389 4.9389 5.0455 5.0842 5.0842 5.1235 5.3773 5.3773 5.5785 5.5785 6.0749 6.2893 6.2893 6.4263 6.4263 6.4731 6.5921 6.5921 6.8057 6.9892 6.9892 7.0255 8.4674 8.4674 8.7066 8.7703 9.1346 9.1346 12.1753 12.6108 12.7474 12.7474 12.8351 12.8351 13.4722 13.5519 13.5519 13.7516 k = 0.3333 0.5774 0.1020 ( 4959 PWs) bands (ev): -30.5157 -30.5157 -30.5050 -30.5050 -11.8628 -11.8628 -11.8279 -11.8279 -11.5132 -11.5132 -11.4783 -11.4782 -11.4497 -11.4496 -11.4272 -11.4272 -0.5555 -0.5294 -0.5241 -0.5241 4.5830 4.7163 4.7163 4.8171 4.9320 4.9320 5.0387 5.0766 5.0766 5.1130 5.3608 5.3608 5.5895 5.5895 6.0858 6.2927 6.2927 6.4253 6.4253 6.4646 6.5913 6.5913 6.8143 7.0142 7.0142 7.0207 8.4559 8.4559 8.7470 8.8075 9.1522 9.1522 12.1777 12.6049 12.7389 12.7389 12.8505 12.8505 13.4529 13.5740 13.5740 13.7385 k = 0.3333 0.5774 0.1166 ( 4965 PWs) bands (ev): -30.5155 -30.5155 -30.5052 -30.5052 -11.8618 -11.8618 -11.8282 -11.8282 -11.5119 -11.5119 -11.4778 -11.4777 -11.4502 -11.4501 -11.4293 -11.4293 -0.5540 -0.5289 -0.5230 -0.5230 4.5802 4.7174 4.7174 4.8018 4.9239 4.9239 5.0321 5.0690 5.0690 5.1018 5.3449 5.3449 5.5997 5.5997 6.0976 6.2962 6.2962 6.4240 6.4240 6.4555 6.5909 6.5909 6.8234 7.0155 7.0425 7.0425 8.4385 8.4385 8.7917 8.8488 9.1761 9.1761 12.1803 12.5974 12.7243 12.7243 12.8721 12.8721 13.4318 13.5962 13.5962 13.7119 k = 0.3333 0.5774 0.1312 ( 4959 PWs) bands (ev): -30.5152 -30.5152 -30.5055 -30.5055 -11.8606 -11.8606 -11.8287 -11.8287 -11.5103 -11.5103 -11.4773 -11.4772 -11.4508 -11.4507 -11.4317 -11.4317 -0.5522 -0.5284 -0.5219 -0.5219 4.5771 4.7184 4.7184 4.7849 4.9146 4.9146 5.0259 5.0617 5.0617 5.0903 5.3300 5.3300 5.6090 5.6090 6.1103 6.2996 6.2996 6.4224 6.4224 6.4459 6.5909 6.5909 6.8326 7.0101 7.0739 7.0739 8.4148 8.4148 8.8398 8.8934 9.2063 9.2063 12.1832 12.5880 12.7048 12.7048 12.8985 12.8985 13.4094 13.6168 13.6168 13.6828 k = 0.3333 0.5774 0.1458 ( 4962 PWs) bands (ev): -30.5150 -30.5150 -30.5058 -30.5058 -11.8594 -11.8594 -11.8292 -11.8292 -11.5085 -11.5085 -11.4767 -11.4766 -11.4514 -11.4513 -11.4343 -11.4343 -0.5504 -0.5278 -0.5207 -0.5207 4.5739 4.7193 4.7193 4.7669 4.9042 4.9042 5.0201 5.0548 5.0548 5.0787 5.3159 5.3159 5.6175 5.6175 6.1235 6.3029 6.3029 6.4206 6.4206 6.4358 6.5913 6.5913 6.8418 7.0045 7.1082 7.1082 8.3850 8.3850 8.8905 8.9406 9.2424 9.2424 12.1861 12.5764 12.6812 12.6812 12.9290 12.9290 13.3863 13.6342 13.6342 13.6513 k = 0.3333 0.5774 0.1604 ( 4968 PWs) bands (ev): -30.5147 -30.5147 -30.5060 -30.5060 -11.8581 -11.8581 -11.8297 -11.8297 -11.5066 -11.5066 -11.4761 -11.4760 -11.4520 -11.4519 -11.4371 -11.4371 -0.5485 -0.5273 -0.5195 -0.5195 4.5708 4.7201 4.7201 4.7481 4.8930 4.8930 5.0148 5.0485 5.0485 5.0674 5.3030 5.3030 5.6252 5.6252 6.1371 6.3060 6.3060 6.4186 6.4186 6.4253 6.5920 6.5920 6.8509 6.9987 7.1453 7.1453 8.3494 8.3494 8.9430 8.9894 9.2834 9.2834 12.1893 12.5624 12.6541 12.6541 12.9627 12.9627 13.3633 13.6180 13.6472 13.6472 k = 0.3333 0.5774 0.1749 ( 4956 PWs) bands (ev): -30.5143 -30.5143 -30.5064 -30.5064 -11.8567 -11.8567 -11.8303 -11.8303 -11.5045 -11.5045 -11.4754 -11.4753 -11.4527 -11.4526 -11.4400 -11.4400 -0.5465 -0.5269 -0.5182 -0.5182 4.5677 4.7208 4.7208 4.7288 4.8814 4.8814 5.0101 5.0429 5.0429 5.0565 5.2911 5.2911 5.6321 5.6321 6.1511 6.3088 6.3088 6.4145 6.4165 6.4165 6.5931 6.5931 6.8597 6.9929 7.1850 7.1850 8.3089 8.3089 8.9962 9.0390 9.3283 9.3283 12.1928 12.5458 12.6240 12.6240 12.9995 12.9995 13.3411 13.5833 13.6553 13.6553 k = 0.3333 0.5774 0.1895 ( 4962 PWs) bands (ev): -30.5140 -30.5140 -30.5067 -30.5067 -11.8552 -11.8552 -11.8310 -11.8310 -11.5022 -11.5022 -11.4747 -11.4746 -11.4534 -11.4533 -11.4432 -11.4432 -0.5445 -0.5265 -0.5170 -0.5170 4.5649 4.7095 4.7212 4.7212 4.8698 4.8698 5.0059 5.0379 5.0379 5.0463 5.2803 5.2803 5.6383 5.6383 6.1653 6.3113 6.3113 6.4034 6.4143 6.4143 6.5943 6.5943 6.8684 6.9870 7.2271 7.2271 8.2642 8.2642 9.0492 9.0884 9.3755 9.3755 12.1966 12.5263 12.5917 12.5917 13.0387 13.0387 13.3206 13.5479 13.6591 13.6591 k = 0.3333 0.5774 0.2041 ( 4956 PWs) bands (ev): -30.5137 -30.5137 -30.5070 -30.5070 -11.8538 -11.8538 -11.8318 -11.8318 -11.4997 -11.4997 -11.4739 -11.4739 -11.4541 -11.4540 -11.4465 -11.4465 -0.5424 -0.5262 -0.5159 -0.5159 4.5626 4.6906 4.7212 4.7212 4.8587 4.8587 5.0023 5.0337 5.0337 5.0368 5.2707 5.2707 5.6438 5.6438 6.1796 6.3136 6.3136 6.3921 6.4122 6.4122 6.5957 6.5957 6.8767 6.9811 7.2712 7.2712 8.2161 8.2161 9.1010 9.1364 9.4236 9.4236 12.2010 12.5042 12.5581 12.5581 13.0802 13.0802 13.3025 13.5123 13.6597 13.6597 k = 0.3333 0.5774 0.2187 ( 4950 PWs) bands (ev): -30.5133 -30.5133 -30.5074 -30.5074 -11.8524 -11.8524 -11.8325 -11.8325 -11.4972 -11.4972 -11.4732 -11.4731 -11.4548 -11.4547 -11.4498 -11.4498 -0.5404 -0.5260 -0.5148 -0.5148 4.5609 4.6723 4.7209 4.7209 4.8484 4.8484 4.9993 5.0283 5.0300 5.0300 5.2621 5.2621 5.6486 5.6486 6.1940 6.3156 6.3156 6.3804 6.4101 6.4101 6.5970 6.5970 6.8847 6.9752 7.3172 7.3172 8.1656 8.1656 9.1504 9.1820 9.4711 9.4711 12.2062 12.4797 12.5242 12.5242 13.1235 13.1235 13.2873 13.4771 13.6573 13.6573 k = 0.3333 0.5774 0.2333 ( 4950 PWs) bands (ev): -30.5129 -30.5129 -30.5078 -30.5078 -11.8509 -11.8509 -11.8333 -11.8333 -11.4944 -11.4944 -11.4724 -11.4724 -11.4556 -11.4555 -11.4533 -11.4533 -0.5385 -0.5260 -0.5138 -0.5138 4.5599 4.6548 4.7203 4.7203 4.8393 4.8393 4.9968 5.0206 5.0268 5.0268 5.2548 5.2548 5.6528 5.6528 6.2083 6.3173 6.3173 6.3685 6.4082 6.4082 6.5983 6.5983 6.8925 6.9693 7.3645 7.3645 8.1134 8.1134 9.1965 9.2241 9.5164 9.5164 12.2125 12.4531 12.4910 12.4910 13.1681 13.1681 13.2757 13.4430 13.6509 13.6509 k = 0.3333 0.5774 0.2478 ( 4950 PWs) bands (ev): -30.5125 -30.5125 -30.5082 -30.5082 -11.8495 -11.8495 -11.8342 -11.8342 -11.4915 -11.4915 -11.4717 -11.4717 -11.4568 -11.4568 -11.4563 -11.4562 -0.5366 -0.5261 -0.5129 -0.5129 4.5599 4.6386 4.7193 4.7193 4.8315 4.8315 4.9949 5.0139 5.0242 5.0242 5.2485 5.2485 5.6563 5.6563 6.2226 6.3187 6.3187 6.3563 6.4066 6.4066 6.5995 6.5995 6.8999 6.9634 7.4125 7.4125 8.0607 8.0607 9.2382 9.2617 9.5581 9.5581 12.2202 12.4253 12.4599 12.4599 13.2136 13.2136 13.2679 13.4106 13.6390 13.6390 k = 0.3333 0.5774 0.2624 ( 4947 PWs) bands (ev): -30.5121 -30.5121 -30.5086 -30.5086 -11.8482 -11.8482 -11.8351 -11.8351 -11.4885 -11.4885 -11.4711 -11.4710 -11.4603 -11.4603 -11.4569 -11.4568 -0.5349 -0.5264 -0.5121 -0.5121 4.5610 4.6236 4.7181 4.7181 4.8253 4.8253 4.9935 5.0082 5.0220 5.0220 5.2434 5.2434 5.6591 5.6591 6.2368 6.3198 6.3198 6.3439 6.4051 6.4051 6.6005 6.6005 6.9070 6.9575 7.4603 7.4603 8.0086 8.0086 9.2745 9.2936 9.5946 9.5946 12.2298 12.3968 12.4321 12.4321 13.2591 13.2591 13.2642 13.3805 13.6203 13.6203 k = 0.3333 0.5774 0.2770 ( 4944 PWs) bands (ev): -30.5117 -30.5117 -30.5090 -30.5090 -11.8469 -11.8469 -11.8359 -11.8359 -11.4854 -11.4854 -11.4705 -11.4704 -11.4639 -11.4639 -11.4574 -11.4574 -0.5332 -0.5268 -0.5115 -0.5115 4.5634 4.6101 4.7169 4.7169 4.8205 4.8205 4.9928 5.0035 5.0204 5.0204 5.2394 5.2394 5.6613 5.6613 6.2508 6.3207 6.3207 6.3313 6.4040 6.4040 6.6013 6.6013 6.9139 6.9516 7.5062 7.5062 7.9591 7.9591 9.3043 9.3189 9.6247 9.6247 12.2417 12.3686 12.4089 12.4089 13.2647 13.3035 13.3035 13.3531 13.5959 13.5959 k = 0.3333 0.5774 0.2916 ( 4944 PWs) bands (ev): -30.5112 -30.5112 -30.5095 -30.5095 -11.8459 -11.8459 -11.8367 -11.8367 -11.4823 -11.4823 -11.4700 -11.4700 -11.4673 -11.4673 -11.4579 -11.4579 -0.5318 -0.5275 -0.5111 -0.5111 4.5672 4.5983 4.7159 4.7159 4.8172 4.8172 4.9927 4.9996 5.0192 5.0192 5.2366 5.2366 5.6628 5.6628 6.2647 6.3184 6.3213 6.3213 6.4032 6.4032 6.6019 6.6019 6.9206 6.9456 7.5474 7.5474 7.9152 7.9152 9.3270 9.3368 9.6471 9.6471 12.2561 12.3416 12.3914 12.3914 13.2694 13.3289 13.3446 13.3446 13.5683 13.5683 k = 0.3333 0.5774 0.3061 ( 4944 PWs) bands (ev): -30.5108 -30.5108 -30.5099 -30.5099 -11.8452 -11.8452 -11.8372 -11.8372 -11.4793 -11.4793 -11.4704 -11.4704 -11.4698 -11.4697 -11.4582 -11.4582 -0.5304 -0.5283 -0.5108 -0.5108 4.5725 4.5880 4.7152 4.7152 4.8153 4.8153 4.9933 4.9967 5.0185 5.0185 5.2349 5.2349 5.6638 5.6638 6.2784 6.3053 6.3217 6.3217 6.4026 6.4026 6.6023 6.6023 6.9271 6.9396 7.5781 7.5781 7.8829 7.8829 9.3419 9.3469 9.6609 9.6609 12.2734 12.3163 12.3806 12.3806 13.2783 13.3083 13.3776 13.3776 13.5432 13.5432 k = 0.3333 0.5774 0.3207 ( 4962 PWs) bands (ev): -30.5104 -30.5104 -30.5103 -30.5103 -11.8449 -11.8449 -11.8375 -11.8375 -11.4777 -11.4777 -11.4722 -11.4722 -11.4697 -11.4697 -11.4583 -11.4583 -0.5293 -0.5293 -0.5108 -0.5108 4.5794 4.5794 4.7149 4.7149 4.8147 4.8147 4.9946 4.9946 5.0182 5.0182 5.2343 5.2343 5.6641 5.6641 6.2920 6.2920 6.3218 6.3218 6.4025 6.4025 6.6024 6.6024 6.9334 6.9334 7.5899 7.5899 7.8705 7.8705 9.3486 9.3486 9.6655 9.6655 12.2935 12.2935 12.3769 12.3769 13.2913 13.2913 13.3915 13.3915 13.5318 13.5318 Writing output data file CaBiAu.save init_run : 3.97s CPU 13.84s WALL ( 1 calls) electrons : 1861.06s CPU 1874.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.72s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 1861.04s CPU 1874.07s WALL ( 1 calls) v_of_rho : 0.46s CPU 0.96s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.41s CPU 0.56s WALL ( 1 calls) newd : 0.65s CPU 0.71s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 289 calls) cegterg : 1803.48s CPU 1813.61s WALL ( 1517 calls) Called by sum_band: Called by *egterg: h_psi : 683.88s CPU 701.27s WALL ( 30568 calls) s_psi : 75.39s CPU 76.43s WALL ( 30568 calls) g_psi : 1.69s CPU 1.75s WALL ( 28762 calls) cdiaghg : 768.24s CPU 761.82s WALL ( 29051 calls) cegterg:over : 145.22s CPU 138.33s WALL ( 28762 calls) cegterg:upda : 37.71s CPU 45.95s WALL ( 28762 calls) cegterg:last : 27.97s CPU 29.27s WALL ( 3540 calls) Called by h_psi: h_psi:vloc : 524.90s CPU 539.87s WALL ( 30568 calls) h_psi:vnl : 158.22s CPU 159.50s WALL ( 30568 calls) add_vuspsi : 56.43s CPU 65.96s WALL ( 30568 calls) General routines calbec : 101.73s CPU 93.35s WALL ( 30568 calls) fft : 0.55s CPU 1.63s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 494.71s CPU 505.61s WALL ( 2539896 calls) interpolate : 0.01s CPU 0.06s WALL ( 4 calls) davcio : 0.02s CPU 1.64s WALL ( 578 calls) Parallel routines fft_scatter : 312.28s CPU 316.13s WALL ( 2539919 calls) PWSCF : 32m 6.14s CPU 35m 5.02s WALL This run was terminated on: 22:52:57 13Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=