Program PWSCF v.5.1.1 starts on 17Jul2015 at 14:32:32 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./Mg3Bi2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 39 11 3732 1773 271 Max 65 40 12 3741 1796 276 Sum 2065 1261 361 119523 57127 8737 bravais-lattice index = 14 lattice parameter (alat) = 8.8137 a.u. unit-cell volume = 932.3632 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.813682 celldm(2)= 1.000000 celldm(3)= 1.572470 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 1.572470 ) 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 0.635942 ) 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 Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Bi 5.00 208.98040 Bi( 1.00) Mg 10.00 24.30500 Mg( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 i 7 3s_v 8 11 -12 2S6 9 10 3s_v 12 -11 -8 -E -1 -2C3 -3 -4 -i -7 -2S6 -9 -10 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 0.0144532), wk = 0.0034602 k( 113) = ( 0.0000000 0.0000000 0.0289065), wk = 0.0034602 k( 114) = ( 0.0000000 0.0000000 0.0433597), wk = 0.0034602 k( 115) = ( 0.0000000 0.0000000 0.0578129), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.0722662), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.0867194), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.1011726), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.1156259), wk = 0.0034602 k( 120) = ( 0.0000000 0.0000000 0.1300791), wk = 0.0034602 k( 121) = ( 0.0000000 0.0000000 0.1445323), wk = 0.0034602 k( 122) = ( 0.0000000 0.0000000 0.1589855), wk = 0.0034602 k( 123) = ( 0.0000000 0.0000000 0.1734388), wk = 0.0034602 k( 124) = ( 0.0000000 0.0000000 0.1878920), wk = 0.0034602 k( 125) = ( 0.0000000 0.0000000 0.2023452), wk = 0.0034602 k( 126) = ( 0.0000000 0.0000000 0.2167985), wk = 0.0034602 k( 127) = ( 0.0000000 0.0000000 0.2312517), wk = 0.0034602 k( 128) = ( 0.0000000 0.0000000 0.2457049), wk = 0.0034602 k( 129) = ( 0.0000000 0.0000000 0.2601582), wk = 0.0034602 k( 130) = ( 0.0000000 0.0000000 0.2746114), wk = 0.0034602 k( 131) = ( 0.0000000 0.0000000 0.2890646), wk = 0.0034602 k( 132) = ( 0.0000000 0.0000000 0.3035179), wk = 0.0034602 k( 133) = ( 0.0000000 0.0000000 0.3179711), wk = 0.0034602 k( 134) = ( 0.0000000 0.0000000 0.3179711), wk = 0.0034602 k( 135) = ( 0.0128205 0.0074019 0.3179711), wk = 0.0034602 k( 136) = ( 0.0256410 0.0148039 0.3179711), wk = 0.0034602 k( 137) = ( 0.0384615 0.0222058 0.3179711), wk = 0.0034602 k( 138) = ( 0.0512821 0.0296077 0.3179711), wk = 0.0034602 k( 139) = ( 0.0641026 0.0370096 0.3179711), wk = 0.0034602 k( 140) = ( 0.0769231 0.0444116 0.3179711), wk = 0.0034602 k( 141) = ( 0.0897436 0.0518135 0.3179711), wk = 0.0034602 k( 142) = ( 0.1025641 0.0592154 0.3179711), wk = 0.0034602 k( 143) = ( 0.1153846 0.0666173 0.3179711), wk = 0.0034602 k( 144) = ( 0.1282051 0.0740193 0.3179711), wk = 0.0034602 k( 145) = ( 0.1410256 0.0814212 0.3179711), wk = 0.0034602 k( 146) = ( 0.1538461 0.0888231 0.3179711), wk = 0.0034602 k( 147) = ( 0.1666667 0.0962250 0.3179711), wk = 0.0034602 k( 148) = ( 0.1794872 0.1036270 0.3179711), wk = 0.0034602 k( 149) = ( 0.1923077 0.1110289 0.3179711), wk = 0.0034602 k( 150) = ( 0.2051282 0.1184308 0.3179711), wk = 0.0034602 k( 151) = ( 0.2179487 0.1258328 0.3179711), wk = 0.0034602 k( 152) = ( 0.2307692 0.1332347 0.3179711), wk = 0.0034602 k( 153) = ( 0.2435897 0.1406366 0.3179711), wk = 0.0034602 k( 154) = ( 0.2564103 0.1480385 0.3179711), wk = 0.0034602 k( 155) = ( 0.2692308 0.1554405 0.3179711), wk = 0.0034602 k( 156) = ( 0.2820513 0.1628424 0.3179711), wk = 0.0034602 k( 157) = ( 0.2948718 0.1702443 0.3179711), wk = 0.0034602 k( 158) = ( 0.3076923 0.1776462 0.3179711), wk = 0.0034602 k( 159) = ( 0.3205128 0.1850482 0.3179711), wk = 0.0034602 k( 160) = ( 0.3333333 0.1924501 0.3179711), wk = 0.0034602 k( 161) = ( 0.3461538 0.1998520 0.3179711), wk = 0.0034602 k( 162) = ( 0.3589744 0.2072539 0.3179711), wk = 0.0034602 k( 163) = ( 0.3717949 0.2146559 0.3179711), wk = 0.0034602 k( 164) = ( 0.3846154 0.2220578 0.3179711), wk = 0.0034602 k( 165) = ( 0.3974359 0.2294597 0.3179711), wk = 0.0034602 k( 166) = ( 0.4102564 0.2368616 0.3179711), wk = 0.0034602 k( 167) = ( 0.4230769 0.2442636 0.3179711), wk = 0.0034602 k( 168) = ( 0.4358974 0.2516655 0.3179711), wk = 0.0034602 k( 169) = ( 0.4487179 0.2590674 0.3179711), wk = 0.0034602 k( 170) = ( 0.4615385 0.2664694 0.3179711), wk = 0.0034602 k( 171) = ( 0.4743590 0.2738713 0.3179711), wk = 0.0034602 k( 172) = ( 0.4871795 0.2812732 0.3179711), wk = 0.0034602 k( 173) = ( 0.5000000 0.2886751 0.3179711), wk = 0.0034602 k( 174) = ( 0.5000000 0.2886751 0.3179711), wk = 0.0034602 k( 175) = ( 0.4927536 0.3012262 0.3179711), wk = 0.0034602 k( 176) = ( 0.4855073 0.3137773 0.3179711), wk = 0.0034602 k( 177) = ( 0.4782609 0.3263284 0.3179711), wk = 0.0034602 k( 178) = ( 0.4710145 0.3388795 0.3179711), wk = 0.0034602 k( 179) = ( 0.4637681 0.3514306 0.3179711), wk = 0.0034602 k( 180) = ( 0.4565217 0.3639817 0.3179711), wk = 0.0034602 k( 181) = ( 0.4492754 0.3765328 0.3179711), wk = 0.0034602 k( 182) = ( 0.4420290 0.3890839 0.3179711), wk = 0.0034602 k( 183) = ( 0.4347826 0.4016350 0.3179711), wk = 0.0034602 k( 184) = ( 0.4275362 0.4141861 0.3179711), wk = 0.0034602 k( 185) = ( 0.4202899 0.4267372 0.3179711), wk = 0.0034602 k( 186) = ( 0.4130435 0.4392882 0.3179711), wk = 0.0034602 k( 187) = ( 0.4057971 0.4518393 0.3179711), wk = 0.0034602 k( 188) = ( 0.3985507 0.4643904 0.3179711), wk = 0.0034602 k( 189) = ( 0.3913044 0.4769415 0.3179711), wk = 0.0034602 k( 190) = ( 0.3840580 0.4894926 0.3179711), wk = 0.0034602 k( 191) = ( 0.3768116 0.5020437 0.3179711), wk = 0.0034602 k( 192) = ( 0.3695652 0.5145948 0.3179711), wk = 0.0034602 k( 193) = ( 0.3623188 0.5271459 0.3179711), wk = 0.0034602 k( 194) = ( 0.3550725 0.5396970 0.3179711), wk = 0.0034602 k( 195) = ( 0.3478261 0.5522481 0.3179711), wk = 0.0034602 k( 196) = ( 0.3405797 0.5647992 0.3179711), wk = 0.0034602 k( 197) = ( 0.3333333 0.5773503 0.3179711), wk = 0.0034602 k( 198) = ( 0.3333333 0.5773503 0.3179711), wk = 0.0034602 k( 199) = ( 0.3259259 0.5645203 0.3179711), wk = 0.0034602 k( 200) = ( 0.3185185 0.5516903 0.3179711), wk = 0.0034602 k( 201) = ( 0.3111111 0.5388602 0.3179711), wk = 0.0034602 k( 202) = ( 0.3037037 0.5260302 0.3179711), wk = 0.0034602 k( 203) = ( 0.2962963 0.5132002 0.3179711), wk = 0.0034602 k( 204) = ( 0.2888889 0.5003702 0.3179711), wk = 0.0034602 k( 205) = ( 0.2814815 0.4875402 0.3179711), wk = 0.0034602 k( 206) = ( 0.2740741 0.4747102 0.3179711), wk = 0.0034602 k( 207) = ( 0.2666667 0.4618802 0.3179711), wk = 0.0034602 k( 208) = ( 0.2592593 0.4490502 0.3179711), wk = 0.0034602 k( 209) = ( 0.2518518 0.4362202 0.3179711), wk = 0.0034602 k( 210) = ( 0.2444444 0.4233902 0.3179711), wk = 0.0034602 k( 211) = ( 0.2370370 0.4105602 0.3179711), wk = 0.0034602 k( 212) = ( 0.2296296 0.3977302 0.3179711), wk = 0.0034602 k( 213) = ( 0.2222222 0.3849002 0.3179711), wk = 0.0034602 k( 214) = ( 0.2148148 0.3720702 0.3179711), wk = 0.0034602 k( 215) = ( 0.2074074 0.3592402 0.3179711), wk = 0.0034602 k( 216) = ( 0.2000000 0.3464102 0.3179711), wk = 0.0034602 k( 217) = ( 0.1925926 0.3335802 0.3179711), wk = 0.0034602 k( 218) = ( 0.1851852 0.3207502 0.3179711), wk = 0.0034602 k( 219) = ( 0.1777778 0.3079201 0.3179711), wk = 0.0034602 k( 220) = ( 0.1703704 0.2950901 0.3179711), wk = 0.0034602 k( 221) = ( 0.1629630 0.2822601 0.3179711), wk = 0.0034602 k( 222) = ( 0.1555556 0.2694301 0.3179711), wk = 0.0034602 k( 223) = ( 0.1481482 0.2566001 0.3179711), wk = 0.0034602 k( 224) = ( 0.1407407 0.2437701 0.3179711), wk = 0.0034602 k( 225) = ( 0.1333333 0.2309401 0.3179711), wk = 0.0034602 k( 226) = ( 0.1259259 0.2181101 0.3179711), wk = 0.0034602 k( 227) = ( 0.1185185 0.2052801 0.3179711), wk = 0.0034602 k( 228) = ( 0.1111111 0.1924501 0.3179711), wk = 0.0034602 k( 229) = ( 0.1037037 0.1796201 0.3179711), wk = 0.0034602 k( 230) = ( 0.0962963 0.1667901 0.3179711), wk = 0.0034602 k( 231) = ( 0.0888889 0.1539601 0.3179711), wk = 0.0034602 k( 232) = ( 0.0814815 0.1411301 0.3179711), wk = 0.0034602 k( 233) = ( 0.0740741 0.1283001 0.3179711), wk = 0.0034602 k( 234) = ( 0.0666667 0.1154701 0.3179711), wk = 0.0034602 k( 235) = ( 0.0592593 0.1026400 0.3179711), wk = 0.0034602 k( 236) = ( 0.0518518 0.0898100 0.3179711), wk = 0.0034602 k( 237) = ( 0.0444444 0.0769800 0.3179711), wk = 0.0034602 k( 238) = ( 0.0370370 0.0641500 0.3179711), wk = 0.0034602 k( 239) = ( 0.0296296 0.0513200 0.3179711), wk = 0.0034602 k( 240) = ( 0.0222222 0.0384900 0.3179711), wk = 0.0034602 k( 241) = ( 0.0148148 0.0256600 0.3179711), wk = 0.0034602 k( 242) = ( 0.0074074 0.0128300 0.3179711), wk = 0.0034602 k( 243) = ( 0.0000000 0.0000000 0.3179711), wk = 0.0034602 k( 244) = ( 0.5000000 0.2886751 0.3179711), wk = 0.0034602 k( 245) = ( 0.5000000 0.2886751 0.3035179), wk = 0.0034602 k( 246) = ( 0.5000000 0.2886751 0.2890646), wk = 0.0034602 k( 247) = ( 0.5000000 0.2886751 0.2746114), wk = 0.0034602 k( 248) = ( 0.5000000 0.2886751 0.2601582), wk = 0.0034602 k( 249) = ( 0.5000000 0.2886751 0.2457049), wk = 0.0034602 k( 250) = ( 0.5000000 0.2886751 0.2312517), wk = 0.0034602 k( 251) = ( 0.5000000 0.2886751 0.2167985), wk = 0.0034602 k( 252) = ( 0.5000000 0.2886751 0.2023452), wk = 0.0034602 k( 253) = ( 0.5000000 0.2886751 0.1878920), wk = 0.0034602 k( 254) = ( 0.5000000 0.2886751 0.1734388), wk = 0.0034602 k( 255) = ( 0.5000000 0.2886751 0.1589855), wk = 0.0034602 k( 256) = ( 0.5000000 0.2886751 0.1445323), wk = 0.0034602 k( 257) = ( 0.5000000 0.2886751 0.1300791), wk = 0.0034602 k( 258) = ( 0.5000000 0.2886751 0.1156259), wk = 0.0034602 k( 259) = ( 0.5000000 0.2886751 0.1011726), wk = 0.0034602 k( 260) = ( 0.5000000 0.2886751 0.0867194), wk = 0.0034602 k( 261) = ( 0.5000000 0.2886751 0.0722662), wk = 0.0034602 k( 262) = ( 0.5000000 0.2886751 0.0578129), wk = 0.0034602 k( 263) = ( 0.5000000 0.2886751 0.0433597), wk = 0.0034602 k( 264) = ( 0.5000000 0.2886751 0.0289065), wk = 0.0034602 k( 265) = ( 0.5000000 0.2886751 0.0144532), 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 0.0144532), wk = 0.0034602 k( 269) = ( 0.3333333 0.5773503 0.0289065), wk = 0.0034602 k( 270) = ( 0.3333333 0.5773503 0.0433597), wk = 0.0034602 k( 271) = ( 0.3333333 0.5773503 0.0578129), wk = 0.0034602 k( 272) = ( 0.3333333 0.5773503 0.0722662), wk = 0.0034602 k( 273) = ( 0.3333333 0.5773503 0.0867194), wk = 0.0034602 k( 274) = ( 0.3333333 0.5773503 0.1011726), wk = 0.0034602 k( 275) = ( 0.3333333 0.5773503 0.1156259), wk = 0.0034602 k( 276) = ( 0.3333333 0.5773503 0.1300791), wk = 0.0034602 k( 277) = ( 0.3333333 0.5773503 0.1445323), wk = 0.0034602 k( 278) = ( 0.3333333 0.5773503 0.1589855), wk = 0.0034602 k( 279) = ( 0.3333333 0.5773503 0.1734388), wk = 0.0034602 k( 280) = ( 0.3333333 0.5773503 0.1878920), wk = 0.0034602 k( 281) = ( 0.3333333 0.5773503 0.2023452), wk = 0.0034602 k( 282) = ( 0.3333333 0.5773503 0.2167985), wk = 0.0034602 k( 283) = ( 0.3333333 0.5773503 0.2312517), wk = 0.0034602 k( 284) = ( 0.3333333 0.5773503 0.2457049), wk = 0.0034602 k( 285) = ( 0.3333333 0.5773503 0.2601582), wk = 0.0034602 k( 286) = ( 0.3333333 0.5773503 0.2746114), wk = 0.0034602 k( 287) = ( 0.3333333 0.5773503 0.2890646), wk = 0.0034602 k( 288) = ( 0.3333333 0.5773503 0.3035179), wk = 0.0034602 k( 289) = ( 0.3333333 0.5773503 0.3179711), 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 0.2518519 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 0.4545455), 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 0.2518519 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 0.4545455), 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 0.0454546), 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: 119523 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 57127 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 452, 48) NL pseudopotentials 0.26 Mb ( 226, 74) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3737) G-vector shells 0.01 Mb ( 1634) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.32 Mb ( 452, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.11 Mb ( 74, 2, 48) Check: negative/imaginary core charge= -0.000014 0.000000 The potential is recalculated from file : ./Mg3Bi2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.5 secs Computing kpt #: 6 total cpu time spent up to now is 8.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.0 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.6 secs Computing kpt #: 10 total cpu time spent up to now is 13.8 secs Computing kpt #: 11 total cpu time spent up to now is 15.4 secs Computing kpt #: 12 total cpu time spent up to now is 16.9 secs Computing kpt #: 13 total cpu time spent up to now is 18.1 secs Computing kpt #: 14 total cpu time spent up to now is 19.3 secs Computing kpt #: 15 total cpu time spent up to now is 20.5 secs Computing kpt #: 16 total cpu time spent up to now is 21.8 secs Computing kpt #: 17 total cpu time spent up to now is 23.0 secs Computing kpt #: 18 total cpu time spent up to now is 24.3 secs Computing kpt #: 19 total cpu time spent up to now is 25.4 secs Computing kpt #: 20 total cpu time spent up to now is 26.5 secs Computing kpt #: 21 total cpu time spent up to now is 27.5 secs Computing kpt #: 22 total cpu time spent up to now is 28.6 secs Computing kpt #: 23 total cpu time spent up to now is 29.7 secs Computing kpt #: 24 total cpu time spent up to now is 30.7 secs Computing kpt #: 25 total cpu time spent up to now is 31.7 secs Computing kpt #: 26 total cpu time spent up to now is 32.7 secs Computing kpt #: 27 total cpu time spent up to now is 33.7 secs Computing kpt #: 28 total cpu time spent up to now is 34.7 secs Computing kpt #: 29 total cpu time spent up to now is 35.6 secs Computing kpt #: 30 total cpu time spent up to now is 36.5 secs Computing kpt #: 31 total cpu time spent up to now is 37.5 secs Computing kpt #: 32 total cpu time spent up to now is 38.4 secs Computing kpt #: 33 total cpu time spent up to now is 39.3 secs Computing kpt #: 34 total cpu time spent up to now is 40.2 secs Computing kpt #: 35 total cpu time spent up to now is 41.1 secs Computing kpt #: 36 total cpu time spent up to now is 42.0 secs Computing kpt #: 37 total cpu time spent up to now is 43.0 secs Computing kpt #: 38 total cpu time spent up to now is 43.9 secs Computing kpt #: 39 total cpu time spent up to now is 44.8 secs Computing kpt #: 40 total cpu time spent up to now is 45.6 secs Computing kpt #: 41 total cpu time spent up to now is 46.5 secs Computing kpt #: 42 total cpu time spent up to now is 47.4 secs Computing kpt #: 43 total cpu time spent up to now is 48.4 secs Computing kpt #: 44 total cpu time spent up to now is 49.3 secs Computing kpt #: 45 total cpu time spent up to now is 50.3 secs Computing kpt #: 46 total cpu time spent up to now is 51.2 secs Computing kpt #: 47 total cpu time spent up to now is 52.2 secs Computing kpt #: 48 total cpu time spent up to now is 53.2 secs Computing kpt #: 49 total cpu time spent up to now is 54.2 secs Computing kpt #: 50 total cpu time spent up to now is 55.1 secs Computing kpt #: 51 total cpu time spent up to now is 56.1 secs Computing kpt #: 52 total cpu time spent up to now is 57.1 secs Computing kpt #: 53 total cpu time spent up to now is 58.0 secs Computing kpt #: 54 total cpu time spent up to now is 59.0 secs Computing kpt #: 55 total cpu time spent up to now is 60.0 secs Computing kpt #: 56 total cpu time spent up to now is 61.0 secs Computing kpt #: 57 total cpu time spent up to now is 62.0 secs Computing kpt #: 58 total cpu time spent up to now is 63.0 secs Computing kpt #: 59 total cpu time spent up to now is 64.0 secs Computing kpt #: 60 total cpu time spent up to now is 65.0 secs Computing kpt #: 61 total cpu time spent up to now is 66.1 secs Computing kpt #: 62 total cpu time spent up to now is 67.2 secs Computing kpt #: 63 total cpu time spent up to now is 68.3 secs Computing kpt #: 64 total cpu time spent up to now is 69.5 secs Computing kpt #: 65 total cpu time spent up to now is 70.7 secs Computing kpt #: 66 total cpu time spent up to now is 71.8 secs Computing kpt #: 67 total cpu time spent up to now is 73.0 secs Computing kpt #: 68 total cpu time spent up to now is 74.0 secs Computing kpt #: 69 total cpu time spent up to now is 75.1 secs Computing kpt #: 70 total cpu time spent up to now is 76.2 secs Computing kpt #: 71 total cpu time spent up to now is 77.3 secs Computing kpt #: 72 total cpu time spent up to now is 78.5 secs Computing kpt #: 73 total cpu time spent up to now is 79.6 secs Computing kpt #: 74 total cpu time spent up to now is 80.7 secs Computing kpt #: 75 total cpu time spent up to now is 81.8 secs Computing kpt #: 76 total cpu time spent up to now is 82.9 secs Computing kpt #: 77 total cpu time spent up to now is 84.0 secs Computing kpt #: 78 total cpu time spent up to now is 85.2 secs Computing kpt #: 79 total cpu time spent up to now is 86.3 secs Computing kpt #: 80 total cpu time spent up to now is 87.4 secs Computing kpt #: 81 total cpu time spent up to now is 88.5 secs Computing kpt #: 82 total cpu time spent up to now is 89.7 secs Computing kpt #: 83 total cpu time spent up to now is 90.8 secs Computing kpt #: 84 total cpu time spent up to now is 91.9 secs Computing kpt #: 85 total cpu time spent up to now is 93.1 secs Computing kpt #: 86 total cpu time spent up to now is 94.2 secs Computing kpt #: 87 total cpu time spent up to now is 95.4 secs Computing kpt #: 88 total cpu time spent up to now is 96.5 secs Computing kpt #: 89 total cpu time spent up to now is 97.7 secs Computing kpt #: 90 total cpu time spent up to now is 98.9 secs Computing kpt #: 91 total cpu time spent up to now is 100.0 secs Computing kpt #: 92 total cpu time spent up to now is 101.0 secs Computing kpt #: 93 total cpu time spent up to now is 102.1 secs Computing kpt #: 94 total cpu time spent up to now is 103.4 secs Computing kpt #: 95 total cpu time spent up to now is 104.6 secs Computing kpt #: 96 total cpu time spent up to now is 105.8 secs Computing kpt #: 97 total cpu time spent up to now is 107.0 secs Computing kpt #: 98 total cpu time spent up to now is 108.1 secs Computing kpt #: 99 total cpu time spent up to now is 109.3 secs Computing kpt #: 100 total cpu time spent up to now is 110.5 secs Computing kpt #: 101 total cpu time spent up to now is 111.7 secs Computing kpt #: 102 total cpu time spent up to now is 112.9 secs Computing kpt #: 103 total cpu time spent up to now is 114.1 secs Computing kpt #: 104 total cpu time spent up to now is 115.3 secs Computing kpt #: 105 total cpu time spent up to now is 116.5 secs Computing kpt #: 106 total cpu time spent up to now is 117.6 secs Computing kpt #: 107 total cpu time spent up to now is 118.8 secs Computing kpt #: 108 total cpu time spent up to now is 119.8 secs Computing kpt #: 109 total cpu time spent up to now is 121.0 secs Computing kpt #: 110 total cpu time spent up to now is 122.2 secs Computing kpt #: 111 total cpu time spent up to now is 123.4 secs Computing kpt #: 112 total cpu time spent up to now is 124.5 secs Computing kpt #: 113 total cpu time spent up to now is 125.6 secs Computing kpt #: 114 total cpu time spent up to now is 126.7 secs Computing kpt #: 115 total cpu time spent up to now is 127.8 secs Computing kpt #: 116 total cpu time spent up to now is 128.9 secs Computing kpt #: 117 total cpu time spent up to now is 130.0 secs Computing kpt #: 118 total cpu time spent up to now is 131.1 secs Computing kpt #: 119 total cpu time spent up to now is 132.1 secs Computing kpt #: 120 total cpu time spent up to now is 133.2 secs Computing kpt #: 121 total cpu time spent up to now is 134.3 secs Computing kpt #: 122 total cpu time spent up to now is 135.4 secs Computing kpt #: 123 total cpu time spent up to now is 136.7 secs Computing kpt #: 124 total cpu time spent up to now is 137.8 secs Computing kpt #: 125 total cpu time spent up to now is 138.9 secs Computing kpt #: 126 total cpu time spent up to now is 140.0 secs Computing kpt #: 127 total cpu time spent up to now is 141.0 secs Computing kpt #: 128 total cpu time spent up to now is 142.1 secs Computing kpt #: 129 total cpu time spent up to now is 143.1 secs Computing kpt #: 130 total cpu time spent up to now is 144.2 secs Computing kpt #: 131 total cpu time spent up to now is 145.2 secs Computing kpt #: 132 total cpu time spent up to now is 146.3 secs Computing kpt #: 133 total cpu time spent up to now is 147.3 secs Computing kpt #: 134 total cpu time spent up to now is 148.4 secs Computing kpt #: 135 total cpu time spent up to now is 149.5 secs Computing kpt #: 136 total cpu time spent up to now is 150.5 secs Computing kpt #: 137 total cpu time spent up to now is 151.5 secs Computing kpt #: 138 total cpu time spent up to now is 152.6 secs Computing kpt #: 139 total cpu time spent up to now is 153.8 secs Computing kpt #: 140 total cpu time spent up to now is 155.0 secs Computing kpt #: 141 total cpu time spent up to now is 156.2 secs Computing kpt #: 142 total cpu time spent up to now is 157.5 secs Computing kpt #: 143 total cpu time spent up to now is 158.7 secs Computing kpt #: 144 total cpu time spent up to now is 159.9 secs Computing kpt #: 145 total cpu time spent up to now is 161.1 secs Computing kpt #: 146 total cpu time spent up to now is 162.1 secs Computing kpt #: 147 total cpu time spent up to now is 163.3 secs Computing kpt #: 148 total cpu time spent up to now is 164.3 secs Computing kpt #: 149 total cpu time spent up to now is 165.4 secs Computing kpt #: 150 total cpu time spent up to now is 166.5 secs Computing kpt #: 151 total cpu time spent up to now is 167.5 secs Computing kpt #: 152 total cpu time spent up to now is 168.5 secs Computing kpt #: 153 total cpu time spent up to now is 169.6 secs Computing kpt #: 154 total cpu time spent up to now is 170.6 secs Computing kpt #: 155 total cpu time spent up to now is 171.5 secs Computing kpt #: 156 total cpu time spent up to now is 172.5 secs Computing kpt #: 157 total cpu time spent up to now is 173.4 secs Computing kpt #: 158 total cpu time spent up to now is 174.3 secs Computing kpt #: 159 total cpu time spent up to now is 175.2 secs Computing kpt #: 160 total cpu time spent up to now is 176.1 secs Computing kpt #: 161 total cpu time spent up to now is 177.0 secs Computing kpt #: 162 total cpu time spent up to now is 177.8 secs Computing kpt #: 163 total cpu time spent up to now is 178.7 secs Computing kpt #: 164 total cpu time spent up to now is 179.6 secs Computing kpt #: 165 total cpu time spent up to now is 180.5 secs Computing kpt #: 166 total cpu time spent up to now is 181.3 secs Computing kpt #: 167 total cpu time spent up to now is 182.2 secs Computing kpt #: 168 total cpu time spent up to now is 183.1 secs Computing kpt #: 169 total cpu time spent up to now is 183.9 secs Computing kpt #: 170 total cpu time spent up to now is 184.8 secs Computing kpt #: 171 total cpu time spent up to now is 185.6 secs Computing kpt #: 172 total cpu time spent up to now is 186.5 secs Computing kpt #: 173 total cpu time spent up to now is 187.3 secs Computing kpt #: 174 total cpu time spent up to now is 188.0 secs Computing kpt #: 175 total cpu time spent up to now is 188.9 secs Computing kpt #: 176 total cpu time spent up to now is 189.7 secs Computing kpt #: 177 total cpu time spent up to now is 190.6 secs Computing kpt #: 178 total cpu time spent up to now is 191.4 secs Computing kpt #: 179 total cpu time spent up to now is 192.3 secs Computing kpt #: 180 total cpu time spent up to now is 193.3 secs Computing kpt #: 181 total cpu time spent up to now is 194.2 secs Computing kpt #: 182 total cpu time spent up to now is 195.1 secs Computing kpt #: 183 total cpu time spent up to now is 196.1 secs Computing kpt #: 184 total cpu time spent up to now is 197.1 secs Computing kpt #: 185 total cpu time spent up to now is 198.1 secs Computing kpt #: 186 total cpu time spent up to now is 199.1 secs Computing kpt #: 187 total cpu time spent up to now is 200.3 secs Computing kpt #: 188 total cpu time spent up to now is 202.9 secs Computing kpt #: 189 total cpu time spent up to now is 205.1 secs Computing kpt #: 190 total cpu time spent up to now is 206.2 secs Computing kpt #: 191 total cpu time spent up to now is 207.2 secs Computing kpt #: 192 total cpu time spent up to now is 208.2 secs Computing kpt #: 193 total cpu time spent up to now is 209.1 secs Computing kpt #: 194 total cpu time spent up to now is 210.1 secs Computing kpt #: 195 total cpu time spent up to now is 211.0 secs Computing kpt #: 196 total cpu time spent up to now is 212.0 secs Computing kpt #: 197 total cpu time spent up to now is 212.9 secs Computing kpt #: 198 total cpu time spent up to now is 213.8 secs Computing kpt #: 199 total cpu time spent up to now is 214.7 secs Computing kpt #: 200 total cpu time spent up to now is 215.6 secs Computing kpt #: 201 total cpu time spent up to now is 216.6 secs Computing kpt #: 202 total cpu time spent up to now is 217.5 secs Computing kpt #: 203 total cpu time spent up to now is 218.4 secs Computing kpt #: 204 total cpu time spent up to now is 219.4 secs Computing kpt #: 205 total cpu time spent up to now is 220.3 secs Computing kpt #: 206 total cpu time spent up to now is 221.3 secs Computing kpt #: 207 total cpu time spent up to now is 222.2 secs Computing kpt #: 208 total cpu time spent up to now is 223.2 secs Computing kpt #: 209 total cpu time spent up to now is 224.2 secs Computing kpt #: 210 total cpu time spent up to now is 225.2 secs Computing kpt #: 211 total cpu time spent up to now is 226.2 secs Computing kpt #: 212 total cpu time spent up to now is 227.3 secs Computing kpt #: 213 total cpu time spent up to now is 228.3 secs Computing kpt #: 214 total cpu time spent up to now is 229.3 secs Computing kpt #: 215 total cpu time spent up to now is 230.4 secs Computing kpt #: 216 total cpu time spent up to now is 231.5 secs Computing kpt #: 217 total cpu time spent up to now is 232.6 secs Computing kpt #: 218 total cpu time spent up to now is 233.8 secs Computing kpt #: 219 total cpu time spent up to now is 234.9 secs Computing kpt #: 220 total cpu time spent up to now is 236.0 secs Computing kpt #: 221 total cpu time spent up to now is 237.1 secs Computing kpt #: 222 total cpu time spent up to now is 238.2 secs Computing kpt #: 223 total cpu time spent up to now is 239.3 secs Computing kpt #: 224 total cpu time spent up to now is 240.4 secs Computing kpt #: 225 total cpu time spent up to now is 241.4 secs Computing kpt #: 226 total cpu time spent up to now is 242.5 secs Computing kpt #: 227 total cpu time spent up to now is 243.6 secs Computing kpt #: 228 total cpu time spent up to now is 244.6 secs Computing kpt #: 229 total cpu time spent up to now is 245.7 secs Computing kpt #: 230 total cpu time spent up to now is 246.7 secs Computing kpt #: 231 total cpu time spent up to now is 247.8 secs Computing kpt #: 232 total cpu time spent up to now is 248.8 secs Computing kpt #: 233 total cpu time spent up to now is 250.0 secs Computing kpt #: 234 total cpu time spent up to now is 251.2 secs Computing kpt #: 235 total cpu time spent up to now is 252.5 secs Computing kpt #: 236 total cpu time spent up to now is 253.8 secs Computing kpt #: 237 total cpu time spent up to now is 255.0 secs Computing kpt #: 238 total cpu time spent up to now is 256.2 secs Computing kpt #: 239 total cpu time spent up to now is 257.3 secs Computing kpt #: 240 total cpu time spent up to now is 258.3 secs Computing kpt #: 241 total cpu time spent up to now is 259.3 secs Computing kpt #: 242 total cpu time spent up to now is 260.4 secs Computing kpt #: 243 total cpu time spent up to now is 261.4 secs Computing kpt #: 244 total cpu time spent up to now is 262.1 secs Computing kpt #: 245 total cpu time spent up to now is 263.0 secs Computing kpt #: 246 total cpu time spent up to now is 263.8 secs Computing kpt #: 247 total cpu time spent up to now is 264.7 secs Computing kpt #: 248 total cpu time spent up to now is 265.6 secs Computing kpt #: 249 total cpu time spent up to now is 266.5 secs Computing kpt #: 250 total cpu time spent up to now is 267.4 secs Computing kpt #: 251 total cpu time spent up to now is 268.3 secs Computing kpt #: 252 total cpu time spent up to now is 269.3 secs Computing kpt #: 253 total cpu time spent up to now is 270.3 secs Computing kpt #: 254 total cpu time spent up to now is 271.3 secs Computing kpt #: 255 total cpu time spent up to now is 272.4 secs Computing kpt #: 256 total cpu time spent up to now is 273.4 secs Computing kpt #: 257 total cpu time spent up to now is 274.5 secs Computing kpt #: 258 total cpu time spent up to now is 275.5 secs Computing kpt #: 259 total cpu time spent up to now is 276.5 secs Computing kpt #: 260 total cpu time spent up to now is 277.4 secs Computing kpt #: 261 total cpu time spent up to now is 278.4 secs Computing kpt #: 262 total cpu time spent up to now is 279.4 secs Computing kpt #: 263 total cpu time spent up to now is 280.3 secs Computing kpt #: 264 total cpu time spent up to now is 281.2 secs Computing kpt #: 265 total cpu time spent up to now is 282.1 secs Computing kpt #: 266 total cpu time spent up to now is 283.0 secs Computing kpt #: 267 total cpu time spent up to now is 284.2 secs Computing kpt #: 268 total cpu time spent up to now is 285.5 secs Computing kpt #: 269 total cpu time spent up to now is 286.7 secs Computing kpt #: 270 total cpu time spent up to now is 287.8 secs Computing kpt #: 271 total cpu time spent up to now is 288.9 secs Computing kpt #: 272 total cpu time spent up to now is 290.0 secs Computing kpt #: 273 total cpu time spent up to now is 291.0 secs Computing kpt #: 274 total cpu time spent up to now is 292.0 secs Computing kpt #: 275 total cpu time spent up to now is 293.0 secs Computing kpt #: 276 total cpu time spent up to now is 294.0 secs Computing kpt #: 277 total cpu time spent up to now is 295.0 secs Computing kpt #: 278 total cpu time spent up to now is 296.0 secs Computing kpt #: 279 total cpu time spent up to now is 296.9 secs Computing kpt #: 280 total cpu time spent up to now is 297.9 secs Computing kpt #: 281 total cpu time spent up to now is 298.9 secs Computing kpt #: 282 total cpu time spent up to now is 299.8 secs Computing kpt #: 283 total cpu time spent up to now is 300.7 secs Computing kpt #: 284 total cpu time spent up to now is 301.7 secs Computing kpt #: 285 total cpu time spent up to now is 302.6 secs Computing kpt #: 286 total cpu time spent up to now is 303.5 secs Computing kpt #: 287 total cpu time spent up to now is 304.5 secs Computing kpt #: 288 total cpu time spent up to now is 305.4 secs Computing kpt #: 289 total cpu time spent up to now is 306.3 secs ethr = 2.50E-11, avg # of iterations = 33.9 total cpu time spent up to now is 306.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7137 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8497 -5.8497 -4.8782 -4.8782 0.5356 0.5356 3.8972 3.8972 3.9474 3.9474 5.0707 5.0707 5.5120 5.5120 5.8914 5.8914 6.0016 6.0016 6.4760 6.4760 8.6965 8.6965 8.7084 8.7084 k = 0.0128 0.0074-0.0000 ( 7129 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8487 -5.8487 -4.8777 -4.8777 0.5369 0.5369 3.8904 3.8904 3.9407 3.9407 5.0585 5.0585 5.4826 5.4826 5.9192 5.9192 6.0139 6.0139 6.4862 6.4862 8.6838 8.6838 8.7062 8.7062 k = 0.0256 0.0148-0.0000 ( 7139 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8460 -5.8460 -4.8764 -4.8764 0.5409 0.5409 3.8700 3.8700 3.9206 3.9206 5.0245 5.0245 5.4142 5.4142 5.9698 5.9698 6.0601 6.0601 6.5172 6.5172 8.6382 8.6382 8.7107 8.7107 k = 0.0385 0.0222-0.0000 ( 7139 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5539 -37.5539 -5.8413 -5.8413 -4.8741 -4.8741 0.5474 0.5474 3.8357 3.8357 3.8879 3.8879 4.9744 4.9744 5.3325 5.3325 6.0028 6.0028 6.1477 6.1477 6.5696 6.5696 8.5698 8.5698 8.7201 8.7201 k = 0.0513 0.0296-0.0000 ( 7147 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.8349 -5.8349 -4.8710 -4.8710 0.5566 0.5566 3.7863 3.7863 3.8446 3.8446 4.9142 4.9142 5.2499 5.2499 6.0214 6.0214 6.2544 6.2544 6.6423 6.6423 8.4882 8.4882 8.7337 8.7337 k = 0.0641 0.0370-0.0000 ( 7139 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.8266 -5.8266 -4.8670 -4.8670 0.5684 0.5684 3.7207 3.7207 3.7936 3.7936 4.8480 4.8480 5.1716 5.1716 6.0300 6.0300 6.3666 6.3666 6.7318 6.7318 8.4006 8.4006 8.7514 8.7514 k = 0.0769 0.0444-0.0000 ( 7123 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8166 -5.8166 -4.8621 -4.8621 0.5827 0.5827 3.6394 3.6394 3.7367 3.7367 4.7777 4.7777 5.1005 5.1005 6.0300 6.0300 6.4789 6.4789 6.8321 6.8321 8.3135 8.3135 8.7729 8.7729 k = 0.0897 0.0518-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8047 -5.8047 -4.8565 -4.8565 0.5995 0.5995 3.5444 3.5444 3.6748 3.6748 4.7043 4.7043 5.0377 5.0377 6.0224 6.0224 6.5888 6.5888 6.9355 6.9355 8.2333 8.2333 8.7978 8.7978 k = 0.1026 0.0592-0.0000 ( 7129 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8424 -37.8424 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.7911 -5.7911 -4.8501 -4.8501 0.6189 0.6189 3.4388 3.4388 3.6080 3.6080 4.6285 4.6285 4.9827 4.9827 6.0080 6.0080 6.6945 6.6945 7.0328 7.0328 8.1675 8.1675 8.8248 8.8248 k = 0.1154 0.0666-0.0000 ( 7121 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8424 -37.8424 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.7759 -5.7759 -4.8431 -4.8431 0.6407 0.6407 3.3250 3.3250 3.5370 3.5370 4.5513 4.5513 4.9345 4.9345 5.9875 5.9875 6.7945 6.7945 7.1131 7.1131 8.1258 8.1258 8.8521 8.8521 k = 0.1282 0.0740-0.0000 ( 7121 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8424 -37.8424 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.7589 -5.7589 -4.8354 -4.8354 0.6649 0.6649 3.2055 3.2055 3.4621 3.4621 4.4738 4.4738 4.8911 4.8911 5.9614 5.9614 6.8865 6.8865 7.1654 7.1654 8.1181 8.1181 8.8757 8.8757 k = 0.1410 0.0814-0.0000 ( 7109 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8425 -37.8425 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.7404 -5.7404 -4.8272 -4.8272 0.6914 0.6914 3.0823 3.0823 3.3841 3.3841 4.3969 4.3969 4.8510 4.8510 5.9299 5.9299 6.9661 6.9661 7.1859 7.1859 8.1491 8.1491 8.8718 8.8718 k = 0.1538 0.0888-0.0000 ( 7105 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8425 -37.8425 -37.5595 -37.5595 -37.5587 -37.5587 -37.5546 -37.5546 -37.5539 -37.5539 -5.7202 -5.7202 -4.8184 -4.8184 0.7201 0.7201 2.9569 2.9569 3.3034 3.3034 4.3214 4.3214 4.8128 4.8128 5.8934 5.8934 7.0212 7.0212 7.1878 7.1878 8.2128 8.2128 8.8266 8.8266 k = 0.1667 0.0962-0.0000 ( 7109 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8467 -37.8467 -37.8426 -37.8426 -37.5595 -37.5595 -37.5587 -37.5587 -37.5546 -37.5546 -37.5539 -37.5539 -5.6986 -5.6986 -4.8093 -4.8093 0.7510 0.7510 2.8307 2.8307 3.2206 3.2206 4.2478 4.2478 4.7753 4.7753 5.8521 5.8521 7.0263 7.0263 7.2045 7.2045 8.2923 8.2923 8.7935 8.7935 k = 0.1795 0.1036-0.0000 ( 7119 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8467 -37.8467 -37.8426 -37.8426 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5539 -37.5539 -5.6755 -5.6755 -4.7998 -4.7998 0.7838 0.7838 2.7047 2.7047 3.1365 3.1365 4.1765 4.1765 4.7377 4.7377 5.8063 5.8063 6.9826 6.9826 7.2438 7.2438 8.3635 8.3635 8.7909 8.7909 k = 0.1923 0.1110-0.0000 ( 7113 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8467 -37.8467 -37.8427 -37.8427 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5539 -37.5539 -5.6511 -5.6511 -4.7902 -4.7902 0.8185 0.8185 2.5800 2.5800 3.0516 3.0516 4.1078 4.1078 4.6993 4.6993 5.7564 5.7564 6.9163 6.9163 7.2859 7.2859 8.4007 8.4007 8.8334 8.8334 k = 0.2051 0.1184-0.0000 ( 7109 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8466 -37.8466 -37.8427 -37.8427 -37.5596 -37.5596 -37.5587 -37.5587 -37.5547 -37.5547 -37.5539 -37.5539 -5.6254 -5.6254 -4.7804 -4.7804 0.8548 0.8548 2.4573 2.4573 2.9665 2.9665 4.0418 4.0418 4.6597 4.6597 5.7027 5.7027 6.8410 6.8410 7.3216 7.3216 8.3995 8.3995 8.8555 8.8555 k = 0.2179 0.1258-0.0000 ( 7111 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8466 -37.8466 -37.8428 -37.8428 -37.5596 -37.5596 -37.5586 -37.5586 -37.5547 -37.5547 -37.5539 -37.5539 -5.5984 -5.5984 -4.7706 -4.7706 0.8925 0.8925 2.3373 2.3373 2.8819 2.8819 3.9786 3.9786 4.6183 4.6183 5.6457 5.6457 6.7626 6.7626 7.3485 7.3485 8.3744 8.3744 8.8285 8.8285 k = 0.2308 0.1332-0.0000 ( 7117 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8465 -37.8465 -37.8429 -37.8429 -37.5596 -37.5596 -37.5586 -37.5586 -37.5548 -37.5548 -37.5539 -37.5539 -5.5704 -5.5704 -4.7609 -4.7609 0.9311 0.9311 2.2208 2.2208 2.7983 2.7983 3.9182 3.9182 4.5749 4.5749 5.5860 5.5860 6.6841 6.6841 7.3663 7.3663 8.3380 8.3380 8.7958 8.7958 k = 0.2436 0.1406-0.0000 ( 7119 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8465 -37.8465 -37.8429 -37.8429 -37.5596 -37.5596 -37.5586 -37.5586 -37.5548 -37.5548 -37.5539 -37.5539 -5.5413 -5.5413 -4.7514 -4.7514 0.9703 0.9703 2.1084 2.1084 2.7165 2.7165 3.8606 3.8606 4.5290 4.5290 5.5244 5.5244 6.6071 6.6071 7.3757 7.3757 8.2963 8.2963 8.7611 8.7611 k = 0.2564 0.1480-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8465 -37.8465 -37.8430 -37.8430 -37.5597 -37.5597 -37.5586 -37.5586 -37.5548 -37.5548 -37.5538 -37.5538 -5.5113 -5.5113 -4.7422 -4.7422 1.0093 1.0093 2.0009 2.0009 2.6371 2.6371 3.8058 3.8058 4.4806 4.4806 5.4615 5.4615 6.5327 6.5327 7.3779 7.3779 8.2523 8.2523 8.7255 8.7255 k = 0.2692 0.1554-0.0000 ( 7127 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8464 -37.8464 -37.8431 -37.8431 -37.5597 -37.5597 -37.5586 -37.5586 -37.5549 -37.5549 -37.5538 -37.5538 -5.4806 -5.4806 -4.7335 -4.7335 1.0471 1.0471 1.8994 1.8994 2.5607 2.5607 3.7538 3.7538 4.4291 4.4291 5.3983 5.3983 6.4614 6.4614 7.3741 7.3741 8.2076 8.2076 8.6900 8.6900 k = 0.2821 0.1628-0.0000 ( 7141 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8464 -37.8464 -37.8431 -37.8431 -37.5597 -37.5597 -37.5586 -37.5586 -37.5549 -37.5549 -37.5538 -37.5538 -5.4492 -5.4492 -4.7254 -4.7254 1.0824 1.0824 1.8050 1.8050 2.4881 2.4881 3.7046 3.7046 4.3746 4.3746 5.3356 5.3356 6.3938 6.3938 7.3658 7.3658 8.1632 8.1632 8.6550 8.6550 k = 0.2949 0.1702-0.0000 ( 7141 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8463 -37.8463 -37.8432 -37.8432 -37.5597 -37.5597 -37.5586 -37.5586 -37.5550 -37.5550 -37.5538 -37.5538 -5.4173 -5.4173 -4.7180 -4.7180 1.1130 1.1130 1.7197 1.7197 2.4202 2.4202 3.6582 3.6582 4.3167 4.3167 5.2743 5.2743 6.3301 6.3301 7.3540 7.3540 8.1197 8.1197 8.6210 8.6210 k = 0.3077 0.1776-0.0000 ( 7129 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8462 -37.8462 -37.8433 -37.8433 -37.5597 -37.5597 -37.5585 -37.5585 -37.5550 -37.5550 -37.5538 -37.5538 -5.3851 -5.3851 -4.7114 -4.7114 1.1356 1.1356 1.6461 1.6461 2.3579 2.3579 3.6144 3.6144 4.2555 4.2555 5.2152 5.2152 6.2702 6.2702 7.3399 7.3399 8.0779 8.0779 8.5883 8.5883 k = 0.3205 0.1850-0.0000 ( 7139 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8462 -37.8462 -37.8433 -37.8433 -37.5597 -37.5597 -37.5585 -37.5585 -37.5551 -37.5551 -37.5538 -37.5538 -5.3527 -5.3527 -4.7057 -4.7057 1.1462 1.1462 1.5877 1.5877 2.3024 2.3024 3.5734 3.5734 4.1909 4.1909 5.1589 5.1589 6.2144 6.2144 7.3243 7.3243 8.0379 8.0379 8.5570 8.5570 k = 0.3333 0.1925-0.0000 ( 7138 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9676 -37.9676 -37.8461 -37.8461 -37.8434 -37.8434 -37.5597 -37.5597 -37.5585 -37.5585 -37.5551 -37.5551 -37.5538 -37.5538 -5.3203 -5.3203 -4.7011 -4.7011 1.1406 1.1406 1.5476 1.5476 2.2551 2.2551 3.5351 3.5351 4.1233 4.1233 5.1062 5.1062 6.1626 6.1626 7.3078 7.3078 8.0001 8.0001 8.5274 8.5274 k = 0.3462 0.1999-0.0000 ( 7142 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8461 -37.8461 -37.8435 -37.8435 -37.5598 -37.5598 -37.5585 -37.5585 -37.5551 -37.5551 -37.5538 -37.5538 -5.2881 -5.2881 -4.6975 -4.6975 1.1180 1.1180 1.5254 1.5254 2.2174 2.2174 3.4994 3.4994 4.0530 4.0530 5.0573 5.0573 6.1148 6.1148 7.2912 7.2912 7.9648 7.9648 8.4997 8.4997 k = 0.3590 0.2073-0.0000 ( 7138 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8460 -37.8460 -37.8436 -37.8436 -37.5598 -37.5598 -37.5584 -37.5584 -37.5552 -37.5552 -37.5538 -37.5538 -5.2564 -5.2564 -4.6951 -4.6951 1.0822 1.0822 1.5162 1.5162 2.1907 2.1907 3.4664 3.4664 3.9805 3.9805 5.0125 5.0125 6.0710 6.0710 7.2747 7.2747 7.9320 7.9320 8.4739 8.4739 k = 0.3718 0.2147-0.0000 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8460 -37.8460 -37.8436 -37.8436 -37.5598 -37.5598 -37.5584 -37.5584 -37.5552 -37.5552 -37.5538 -37.5538 -5.2253 -5.2253 -4.6939 -4.6939 1.0390 1.0390 1.5128 1.5128 2.1764 2.1764 3.4359 3.4359 3.9067 3.9067 4.9720 4.9720 6.0311 6.0311 7.2588 7.2588 7.9019 7.9019 8.4501 8.4501 k = 0.3846 0.2221-0.0000 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8459 -37.8459 -37.8437 -37.8437 -37.5598 -37.5598 -37.5584 -37.5584 -37.5552 -37.5552 -37.5537 -37.5537 -5.1952 -5.1952 -4.6938 -4.6938 0.9933 0.9933 1.5101 1.5101 2.1747 2.1747 3.4078 3.4078 3.8324 3.8324 4.9358 4.9358 5.9951 5.9951 7.2438 7.2438 7.8746 7.8746 8.4284 8.4284 k = 0.3974 0.2295-0.0000 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8459 -37.8459 -37.8437 -37.8437 -37.5598 -37.5598 -37.5584 -37.5584 -37.5553 -37.5553 -37.5537 -37.5537 -5.1663 -5.1663 -4.6949 -4.6949 0.9485 0.9485 1.5051 1.5051 2.1850 2.1850 3.3820 3.3820 3.7588 3.7588 4.9039 4.9039 5.9629 5.9629 7.2299 7.2299 7.8501 7.8501 8.4089 8.4089 k = 0.4103 0.2369-0.0000 ( 7154 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8458 -37.8458 -37.8438 -37.8438 -37.5598 -37.5598 -37.5584 -37.5584 -37.5553 -37.5553 -37.5537 -37.5537 -5.1391 -5.1391 -4.6971 -4.6971 0.9066 0.9066 1.4973 1.4973 2.2054 2.2054 3.3584 3.3584 3.6872 3.6872 4.8761 4.8761 5.9346 5.9346 7.2172 7.2172 7.8284 7.8284 8.3916 8.3916 k = 0.4231 0.2443-0.0000 ( 7152 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8458 -37.8458 -37.8439 -37.8439 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.1139 -5.1139 -4.7000 -4.7000 0.8688 0.8688 1.4873 1.4873 2.2335 2.2335 3.3366 3.3366 3.6194 3.6194 4.8523 4.8523 5.9101 5.9101 7.2060 7.2060 7.8096 7.8096 8.3765 8.3765 k = 0.4359 0.2517-0.0000 ( 7152 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8457 -37.8457 -37.8439 -37.8439 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0911 -5.0911 -4.7036 -4.7036 0.8360 0.8360 1.4762 1.4762 2.2660 2.2660 3.3162 3.3162 3.5575 3.5575 4.8324 4.8324 5.8894 5.8894 7.1963 7.1963 7.7937 7.7937 8.3637 8.3637 k = 0.4487 0.2591-0.0000 ( 7152 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8457 -37.8457 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0714 -5.0714 -4.7074 -4.7074 0.8086 0.8086 1.4654 1.4654 2.2999 2.2999 3.2969 3.2969 3.5037 3.5037 4.8163 4.8163 5.8724 5.8724 7.1883 7.1883 7.7807 7.7807 8.3532 8.3532 k = 0.4615 0.2665-0.0000 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8457 -37.8457 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0551 -5.0551 -4.7111 -4.7111 0.7870 0.7870 1.4559 1.4559 2.3316 2.3316 3.2787 3.2787 3.4607 3.4607 4.8039 4.8039 5.8593 5.8593 7.1820 7.1820 7.7706 7.7706 8.3450 8.3450 k = 0.4744 0.2739-0.0000 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0430 -5.0430 -4.7142 -4.7142 0.7714 0.7714 1.4486 1.4486 2.3577 2.3577 3.2626 3.2626 3.4300 3.4300 4.7950 4.7950 5.8499 5.8499 7.1774 7.1774 7.7633 7.7633 8.3392 8.3392 k = 0.4872 0.2813-0.0000 ( 7142 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0354 -5.0354 -4.7162 -4.7162 0.7620 0.7620 1.4439 1.4439 2.3750 2.3750 3.2511 3.2511 3.4120 3.4120 4.7898 4.7898 5.8443 5.8443 7.1747 7.1747 7.7590 7.7590 8.3357 8.3357 k = 0.5000 0.2887-0.0000 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0329 -5.0329 -4.7170 -4.7170 0.7588 0.7588 1.4424 1.4424 2.3810 2.3810 3.2468 3.2468 3.4061 3.4061 4.7880 4.7880 5.8424 5.8424 7.1737 7.1737 7.7575 7.7575 8.3345 8.3345 k = 0.5000 0.2887-0.0000 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0329 -5.0329 -4.7170 -4.7170 0.7588 0.7588 1.4424 1.4424 2.3810 2.3810 3.2468 3.2468 3.4061 3.4061 4.7880 4.7880 5.8424 5.8424 7.1737 7.1737 7.7575 7.7575 8.3345 8.3345 k = 0.4928 0.3012-0.0000 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0323 -5.0323 -4.7170 -4.7170 0.7599 0.7599 1.4429 1.4429 2.3820 2.3820 3.2453 3.2453 3.3980 3.3980 4.7783 4.7783 5.8538 5.8538 7.1869 7.1869 7.7321 7.7321 8.3629 8.3629 k = 0.4855 0.3138-0.0000 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0306 -5.0306 -4.7169 -4.7169 0.7632 0.7632 1.4444 1.4444 2.3849 2.3849 3.2399 3.2399 3.3750 3.3750 4.7495 4.7495 5.8873 5.8873 7.2245 7.2245 7.6689 7.6689 8.4358 8.4358 k = 0.4783 0.3263-0.0000 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0279 -5.0279 -4.7169 -4.7169 0.7685 0.7685 1.4468 1.4468 2.3895 2.3895 3.2284 3.2284 3.3415 3.3415 4.7034 4.7034 5.9412 5.9412 7.2799 7.2799 7.5930 7.5930 8.5333 8.5333 k = 0.4710 0.3389-0.0000 ( 7152 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8441 -37.8441 -37.5599 -37.5599 -37.5582 -37.5582 -37.5555 -37.5555 -37.5537 -37.5537 -5.0240 -5.0240 -4.7169 -4.7169 0.7760 0.7760 1.4501 1.4501 2.3959 2.3959 3.2046 3.2046 3.3063 3.3063 4.6427 4.6427 6.0119 6.0119 7.3293 7.3293 7.5389 7.5389 8.6423 8.6423 k = 0.4638 0.3514-0.0000 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8441 -37.8441 -37.5599 -37.5599 -37.5582 -37.5582 -37.5555 -37.5555 -37.5537 -37.5537 -5.0190 -5.0190 -4.7170 -4.7170 0.7855 0.7855 1.4542 1.4542 2.4037 2.4037 3.1613 3.1613 3.2796 3.2796 4.5704 4.5704 6.0944 6.0944 7.3179 7.3179 7.5673 7.5673 8.7560 8.7560 k = 0.4565 0.3640-0.0000 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8441 -37.8441 -37.5599 -37.5599 -37.5582 -37.5582 -37.5555 -37.5555 -37.5537 -37.5537 -5.0130 -5.0130 -4.7172 -4.7172 0.7971 0.7971 1.4587 1.4587 2.4127 2.4127 3.1015 3.1015 3.2615 3.2615 4.4897 4.4897 6.1814 6.1814 7.2625 7.2625 7.6658 7.6658 8.8705 8.8705 k = 0.4493 0.3765-0.0000 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8441 -37.8441 -37.5600 -37.5600 -37.5581 -37.5581 -37.5556 -37.5556 -37.5536 -37.5536 -5.0060 -5.0060 -4.7175 -4.7175 0.8105 0.8105 1.4636 1.4636 2.4222 2.4222 3.0334 3.0334 3.2467 3.2467 4.4038 4.4038 6.2625 6.2625 7.2130 7.2130 7.7913 7.7913 8.9833 8.9833 k = 0.4420 0.3891-0.0000 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8441 -37.8441 -37.5600 -37.5600 -37.5581 -37.5581 -37.5556 -37.5556 -37.5536 -37.5536 -4.9980 -4.9980 -4.7180 -4.7180 0.8257 0.8257 1.4686 1.4686 2.4315 2.4315 2.9631 2.9631 3.2320 3.2320 4.3153 4.3153 6.3239 6.3239 7.1933 7.1933 7.9303 7.9303 9.0929 9.0929 k = 0.4348 0.4016-0.0000 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8442 -37.8442 -37.5600 -37.5600 -37.5580 -37.5580 -37.5557 -37.5557 -37.5536 -37.5536 -4.9891 -4.9891 -4.7188 -4.7188 0.8427 0.8427 1.4733 1.4733 2.4392 2.4392 2.8951 2.8951 3.2158 3.2158 4.2263 4.2263 6.3524 6.3524 7.2185 7.2185 8.0771 8.0771 9.1981 9.1981 k = 0.4275 0.4142-0.0000 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8442 -37.8442 -37.5600 -37.5600 -37.5579 -37.5579 -37.5557 -37.5557 -37.5536 -37.5536 -4.9793 -4.9793 -4.7199 -4.7199 0.8611 0.8611 1.4773 1.4773 2.4433 2.4433 2.8337 2.8337 3.1974 3.1974 4.1389 4.1389 6.3441 6.3441 7.2929 7.2929 8.2284 8.2284 9.2984 9.2984 k = 0.4203 0.4267-0.0000 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8442 -37.8442 -37.5601 -37.5601 -37.5579 -37.5579 -37.5558 -37.5558 -37.5536 -37.5536 -4.9687 -4.9687 -4.7215 -4.7215 0.8808 0.8808 1.4803 1.4803 2.4409 2.4409 2.7832 2.7832 3.1765 3.1765 4.0544 4.0544 6.3071 6.3071 7.4081 7.4081 8.3813 8.3813 9.3931 9.3931 k = 0.4130 0.4393-0.0000 ( 7150 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8443 -37.8443 -37.5601 -37.5601 -37.5578 -37.5578 -37.5559 -37.5559 -37.5536 -37.5536 -4.9573 -4.9573 -4.7235 -4.7235 0.9016 0.9016 1.4819 1.4819 2.4293 2.4293 2.7476 2.7476 3.1530 3.1530 3.9740 3.9740 6.2530 6.2530 7.5524 7.5524 8.5331 8.5331 9.4824 9.4824 k = 0.4058 0.4518-0.0000 ( 7150 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8443 -37.8443 -37.5601 -37.5601 -37.5577 -37.5577 -37.5559 -37.5559 -37.5536 -37.5536 -4.9452 -4.9452 -4.7261 -4.7261 0.9231 0.9231 1.4817 1.4817 2.4078 2.4078 2.7281 2.7281 3.1277 3.1277 3.8984 3.8984 6.1910 6.1910 7.7161 7.7161 8.6810 8.6810 9.5660 9.5660 k = 0.3986 0.4644-0.0000 ( 7150 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8453 -37.8453 -37.8444 -37.8444 -37.5601 -37.5601 -37.5577 -37.5577 -37.5560 -37.5560 -37.5535 -37.5535 -4.9324 -4.9324 -4.7294 -4.7294 0.9449 0.9449 1.4794 1.4794 2.3790 2.3790 2.7223 2.7223 3.1016 3.1016 3.8278 3.8278 6.1271 6.1271 7.8930 7.8930 8.8219 8.8219 9.6442 9.6442 k = 0.3913 0.4769-0.0000 ( 7134 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8453 -37.8453 -37.8444 -37.8444 -37.5601 -37.5601 -37.5576 -37.5576 -37.5560 -37.5560 -37.5535 -37.5535 -4.9192 -4.9192 -4.7335 -4.7335 0.9665 0.9665 1.4749 1.4749 2.3475 2.3475 2.7252 2.7252 3.0765 3.0765 3.7623 3.7623 6.0650 6.0650 8.0789 8.0789 8.9527 8.9527 9.7168 9.7168 k = 0.3841 0.4895-0.0000 ( 7147 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8452 -37.8452 -37.8444 -37.8444 -37.5602 -37.5602 -37.5575 -37.5575 -37.5561 -37.5561 -37.5535 -37.5535 -4.9055 -4.9055 -4.7384 -4.7384 0.9875 0.9875 1.4686 1.4686 2.3169 2.3169 2.7318 2.7318 3.0550 3.0550 3.7016 3.7016 6.0072 6.0072 8.2706 8.2706 9.0702 9.0702 9.7832 9.7832 k = 0.3768 0.5020-0.0000 ( 7149 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8452 -37.8452 -37.8445 -37.8445 -37.5602 -37.5602 -37.5575 -37.5575 -37.5562 -37.5562 -37.5535 -37.5535 -4.8914 -4.8914 -4.7443 -4.7443 1.0070 1.0070 1.4608 1.4608 2.2896 2.2896 2.7379 2.7379 3.0398 3.0398 3.6452 3.6452 5.9552 5.9552 8.4652 8.4652 9.1715 9.1715 9.8421 9.8421 k = 0.3696 0.5146-0.0000 ( 7141 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8451 -37.8451 -37.8445 -37.8445 -37.5602 -37.5602 -37.5574 -37.5574 -37.5562 -37.5562 -37.5535 -37.5535 -4.8770 -4.8770 -4.7512 -4.7512 1.0243 1.0243 1.4526 1.4526 2.2664 2.2664 2.7408 2.7408 3.0334 3.0334 3.5931 3.5931 5.9102 5.9102 8.6596 8.6596 9.2546 9.2546 9.8917 9.8917 k = 0.3623 0.5271-0.0000 ( 7143 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8451 -37.8451 -37.8446 -37.8446 -37.5602 -37.5602 -37.5573 -37.5573 -37.5563 -37.5563 -37.5535 -37.5535 -4.8624 -4.8624 -4.7593 -4.7593 1.0387 1.0387 1.4448 1.4448 2.2477 2.2477 2.7398 2.7398 3.0360 3.0360 3.5453 3.5453 5.8729 5.8729 8.8490 8.8490 9.3184 9.3184 9.9305 9.9305 k = 0.3551 0.5397-0.0000 ( 7129 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8450 -37.8450 -37.8446 -37.8446 -37.5602 -37.5602 -37.5573 -37.5573 -37.5563 -37.5563 -37.5535 -37.5535 -4.8478 -4.8478 -4.7686 -4.7686 1.0497 1.0497 1.4384 1.4384 2.2332 2.2332 2.7362 2.7362 3.0459 3.0459 3.5028 3.5028 5.8437 5.8437 9.0254 9.0254 9.3634 9.3634 9.9600 9.9600 k = 0.3478 0.5522-0.0000 ( 7137 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8450 -37.8450 -37.8447 -37.8447 -37.5602 -37.5602 -37.5573 -37.5573 -37.5564 -37.5564 -37.5535 -37.5535 -4.8332 -4.8332 -4.7791 -4.7791 1.0569 1.0569 1.4341 1.4341 2.2228 2.2228 2.7321 2.7321 3.0588 3.0588 3.4679 3.4679 5.8229 5.8229 9.1739 9.1739 9.3924 9.3924 9.9869 9.9869 k = 0.3406 0.5648-0.0000 ( 7137 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8447 -37.8447 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8187 -4.8187 -4.7911 -4.7911 1.0606 1.0606 1.4319 1.4319 2.2163 2.2163 2.7293 2.7293 3.0698 3.0698 3.4441 3.4441 5.8105 5.8105 9.2698 9.2698 9.4122 9.4122 10.0215 10.0215 k = 0.3333 0.5774-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8054 -4.8054 -4.8035 -4.8035 1.0616 1.0616 1.4314 1.4314 2.2140 2.2140 2.7285 2.7285 3.0741 3.0741 3.4354 3.4354 5.8064 5.8064 9.2980 9.2980 9.4229 9.4229 10.0471 10.0471 k = 0.3333 0.5774-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8054 -4.8054 -4.8035 -4.8035 1.0616 1.0616 1.4314 1.4314 2.2140 2.2140 2.7285 2.7285 3.0741 3.0741 3.4354 3.4354 5.8064 5.8064 9.2980 9.2980 9.4229 9.4229 10.0471 10.0471 k = 0.3259 0.5645-0.0000 ( 7141 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8196 -4.8196 -4.7902 -4.7902 1.0610 1.0610 1.4316 1.4316 2.2166 2.2166 2.7288 2.7288 3.0698 3.0698 3.4448 3.4448 5.8105 5.8105 9.2792 9.2792 9.4068 9.4068 10.0147 10.0147 k = 0.3185 0.5517-0.0000 ( 7133 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8450 -37.8450 -37.8447 -37.8447 -37.5602 -37.5602 -37.5573 -37.5573 -37.5564 -37.5564 -37.5535 -37.5535 -4.8363 -4.8363 -4.7765 -4.7765 1.0600 1.0600 1.4317 1.4317 2.2244 2.2244 2.7278 2.7278 3.0600 3.0600 3.4715 3.4715 5.8229 5.8229 9.2355 9.2355 9.3615 9.3615 9.9490 9.9490 k = 0.3111 0.5389-0.0000 ( 7137 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8450 -37.8450 -37.8446 -37.8446 -37.5602 -37.5602 -37.5573 -37.5573 -37.5563 -37.5563 -37.5535 -37.5535 -4.8546 -4.8546 -4.7634 -4.7634 1.0599 1.0599 1.4308 1.4308 2.2378 2.2378 2.7220 2.7220 3.0519 3.0519 3.5119 3.5119 5.8429 5.8429 9.1767 9.1767 9.2971 9.2971 9.8749 9.8749 k = 0.3037 0.5260-0.0000 ( 7135 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8451 -37.8451 -37.8446 -37.8446 -37.5602 -37.5602 -37.5573 -37.5573 -37.5563 -37.5563 -37.5535 -37.5535 -4.8745 -4.8745 -4.7510 -4.7510 1.0618 1.0618 1.4286 1.4286 2.2562 2.2562 2.7083 2.7083 3.0522 3.0522 3.5625 3.5625 5.8702 5.8702 9.1082 9.1082 9.2218 9.2218 9.7981 9.7981 k = 0.2963 0.5132-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8452 -37.8452 -37.8445 -37.8445 -37.5602 -37.5602 -37.5574 -37.5574 -37.5562 -37.5562 -37.5535 -37.5535 -4.8959 -4.8959 -4.7394 -4.7394 1.0667 1.0667 1.4250 1.4250 2.2783 2.2783 2.6868 2.6868 3.0649 3.0649 3.6205 3.6205 5.9044 5.9044 9.0333 9.0333 9.1407 9.1407 9.7200 9.7200 k = 0.2889 0.5004-0.0000 ( 7127 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8452 -37.8452 -37.8444 -37.8444 -37.5602 -37.5602 -37.5575 -37.5575 -37.5561 -37.5561 -37.5535 -37.5535 -4.9189 -4.9189 -4.7287 -4.7287 1.0751 1.0751 1.4205 1.4205 2.3009 2.3009 2.6615 2.6615 3.0897 3.0897 3.6842 3.6842 5.9449 5.9449 8.9546 8.9546 9.0566 9.0566 9.6407 9.6407 k = 0.2815 0.4875-0.0000 ( 7123 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8453 -37.8453 -37.8443 -37.8443 -37.5601 -37.5601 -37.5575 -37.5575 -37.5561 -37.5561 -37.5535 -37.5535 -4.9433 -4.9433 -4.7189 -4.7189 1.0876 1.0876 1.4154 1.4154 2.3189 2.3189 2.6403 2.6403 3.1248 3.1248 3.7524 3.7524 5.9914 5.9914 8.8741 8.8741 8.9716 8.9716 9.5606 9.5606 k = 0.2741 0.4747-0.0000 ( 7121 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8443 -37.8443 -37.5601 -37.5601 -37.5576 -37.5576 -37.5560 -37.5560 -37.5535 -37.5535 -4.9691 -4.9691 -4.7103 -4.7103 1.1044 1.1044 1.4105 1.4105 2.3246 2.3246 2.6330 2.6330 3.1678 3.1678 3.8243 3.8243 6.0434 6.0434 8.7931 8.7931 8.8870 8.8870 9.4797 9.4797 k = 0.2667 0.4619-0.0000 ( 7121 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8442 -37.8442 -37.5601 -37.5601 -37.5577 -37.5577 -37.5559 -37.5559 -37.5535 -37.5535 -4.9963 -4.9963 -4.7028 -4.7028 1.1256 1.1256 1.4062 1.4062 2.3130 2.3130 2.6467 2.6467 3.2170 3.2170 3.8995 3.8995 6.1004 6.1004 8.7128 8.7128 8.8037 8.8037 9.3982 9.3982 k = 0.2593 0.4491-0.0000 ( 7127 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8441 -37.8441 -37.5601 -37.5601 -37.5577 -37.5577 -37.5559 -37.5559 -37.5535 -37.5535 -5.0246 -5.0246 -4.6965 -4.6965 1.1510 1.1510 1.4032 1.4032 2.2858 2.2858 2.6807 2.6807 3.2709 3.2709 3.9775 3.9775 6.1621 6.1621 8.6338 8.6338 8.7225 8.7225 9.3165 9.3165 k = 0.2519 0.4362-0.0000 ( 7139 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5601 -37.5601 -37.5578 -37.5578 -37.5558 -37.5558 -37.5536 -37.5536 -5.0541 -5.0541 -4.6914 -4.6914 1.1802 1.1802 1.4021 1.4021 2.2496 2.2496 2.7298 2.7298 3.3287 3.3287 4.0579 4.0579 6.2280 6.2280 8.5568 8.5568 8.6439 8.6439 9.2346 9.2346 k = 0.2444 0.4234-0.0000 ( 7145 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8457 -37.8457 -37.8440 -37.8440 -37.5601 -37.5601 -37.5579 -37.5579 -37.5557 -37.5557 -37.5536 -37.5536 -5.0846 -5.0846 -4.6876 -4.6876 1.2117 1.2117 1.4040 1.4040 2.2103 2.2103 2.7890 2.7890 3.3894 3.3894 4.1404 4.1404 6.2978 6.2978 8.4824 8.4824 8.5684 8.5684 9.1527 9.1527 k = 0.2370 0.4106-0.0000 ( 7145 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8457 -37.8457 -37.8439 -37.8439 -37.5600 -37.5600 -37.5580 -37.5580 -37.5557 -37.5557 -37.5536 -37.5536 -5.1160 -5.1160 -4.6850 -4.6850 1.2431 1.2431 1.4108 1.4108 2.1720 2.1720 2.8552 2.8552 3.4527 3.4527 4.2249 4.2249 6.3710 6.3710 8.4107 8.4107 8.4967 8.4967 9.0712 9.0712 k = 0.2296 0.3977-0.0000 ( 7143 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8458 -37.8458 -37.8438 -37.8438 -37.5600 -37.5600 -37.5580 -37.5580 -37.5556 -37.5556 -37.5536 -37.5536 -5.1481 -5.1481 -4.6838 -4.6838 1.2696 1.2696 1.4266 1.4266 2.1381 2.1381 2.9264 2.9264 3.5179 3.5179 4.3111 4.3111 6.4471 6.4471 8.3422 8.3422 8.4292 8.4292 8.9901 8.9901 k = 0.2222 0.3849-0.0000 ( 7139 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8459 -37.8459 -37.8437 -37.8437 -37.5600 -37.5600 -37.5581 -37.5581 -37.5555 -37.5555 -37.5536 -37.5536 -5.1808 -5.1808 -4.6838 -4.6838 1.2853 1.2853 1.4559 1.4559 2.1108 2.1108 3.0015 3.0015 3.5846 3.5846 4.3987 4.3987 6.5258 6.5258 8.2769 8.2769 8.3665 8.3665 8.9096 8.9096 k = 0.2148 0.3721-0.0000 ( 7129 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8459 -37.8459 -37.8437 -37.8437 -37.5599 -37.5599 -37.5581 -37.5581 -37.5554 -37.5554 -37.5536 -37.5536 -5.2140 -5.2140 -4.6850 -4.6850 1.2881 1.2881 1.4999 1.4999 2.0923 2.0923 3.0794 3.0794 3.6524 3.6524 4.4875 4.4875 6.6064 6.6064 8.2148 8.2148 8.3091 8.3091 8.8299 8.8299 k = 0.2074 0.3592-0.0000 ( 7133 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8460 -37.8460 -37.8436 -37.8436 -37.5599 -37.5599 -37.5582 -37.5582 -37.5554 -37.5554 -37.5537 -37.5537 -5.2474 -5.2474 -4.6875 -4.6875 1.2797 1.2797 1.5558 1.5558 2.0841 2.0841 3.1596 3.1596 3.7211 3.7211 4.5772 4.5772 6.6884 6.6884 8.1560 8.1560 8.2577 8.2577 8.7512 8.7512 k = 0.2000 0.3464-0.0000 ( 7133 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9676 -37.9676 -37.8460 -37.8460 -37.8435 -37.8435 -37.5599 -37.5599 -37.5582 -37.5582 -37.5553 -37.5553 -37.5537 -37.5537 -5.2811 -5.2811 -4.6910 -4.6910 1.2625 1.2625 1.6205 1.6205 2.0871 2.0871 3.2414 3.2414 3.7902 3.7902 4.6675 4.6675 6.7712 6.7712 8.1004 8.1004 8.2129 8.2129 8.6738 8.6738 k = 0.1926 0.3336-0.0000 ( 7119 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8461 -37.8461 -37.8434 -37.8434 -37.5598 -37.5598 -37.5583 -37.5583 -37.5552 -37.5552 -37.5537 -37.5537 -5.3148 -5.3148 -4.6957 -4.6957 1.2383 1.2383 1.6924 1.6924 2.1015 2.1015 3.3244 3.3244 3.8594 3.8594 4.7582 4.7582 6.8539 6.8539 8.0479 8.0479 8.1751 8.1751 8.5982 8.5982 k = 0.1852 0.3208-0.0000 ( 7123 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8462 -37.8462 -37.8434 -37.8434 -37.5598 -37.5598 -37.5583 -37.5583 -37.5552 -37.5552 -37.5537 -37.5537 -5.3484 -5.3484 -4.7013 -4.7013 1.2084 1.2084 1.7701 1.7701 2.1272 2.1272 3.4082 3.4082 3.9286 3.9286 4.8488 4.8488 6.9355 6.9355 7.9984 7.9984 8.1444 8.1444 8.5256 8.5256 k = 0.1778 0.3079-0.0000 ( 7117 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8462 -37.8462 -37.8433 -37.8433 -37.5598 -37.5598 -37.5584 -37.5584 -37.5551 -37.5551 -37.5537 -37.5537 -5.3817 -5.3817 -4.7078 -4.7078 1.1742 1.1742 1.8531 1.8531 2.1634 2.1634 3.4924 3.4924 3.9972 3.9972 4.9391 4.9391 7.0152 7.0152 7.9516 7.9516 8.1200 8.1200 8.4576 8.4576 k = 0.1704 0.2951-0.0000 ( 7121 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8463 -37.8463 -37.8432 -37.8432 -37.5597 -37.5597 -37.5584 -37.5584 -37.5550 -37.5550 -37.5538 -37.5538 -5.4147 -5.4147 -4.7151 -4.7151 1.1369 1.1369 1.9409 1.9409 2.2093 2.2093 3.5764 3.5764 4.0652 4.0652 5.0287 5.0287 7.0917 7.0917 7.9071 7.9071 8.0995 8.0995 8.3980 8.3980 k = 0.1630 0.2823-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8463 -37.8463 -37.8431 -37.8431 -37.5597 -37.5597 -37.5585 -37.5585 -37.5550 -37.5550 -37.5538 -37.5538 -5.4471 -5.4471 -4.7231 -4.7231 1.0974 1.0974 2.0330 2.0330 2.2639 2.2639 3.6601 3.6601 4.1323 4.1323 5.1172 5.1172 7.1641 7.1641 7.8644 7.8644 8.0775 8.0775 8.3535 8.3535 k = 0.1556 0.2694-0.0000 ( 7113 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8464 -37.8464 -37.8431 -37.8431 -37.5597 -37.5597 -37.5585 -37.5585 -37.5549 -37.5549 -37.5538 -37.5538 -5.4790 -5.4790 -4.7317 -4.7317 1.0567 1.0567 2.1290 2.1290 2.3265 2.3265 3.7429 3.7429 4.1982 4.1982 5.2040 5.2040 7.2315 7.2315 7.8226 7.8226 8.0464 8.0464 8.3328 8.3328 k = 0.1481 0.2566-0.0000 ( 7109 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8464 -37.8464 -37.8430 -37.8430 -37.5597 -37.5597 -37.5585 -37.5585 -37.5549 -37.5549 -37.5538 -37.5538 -5.5100 -5.5100 -4.7408 -4.7408 1.0155 1.0155 2.2286 2.2286 2.3963 2.3963 3.8246 3.8246 4.2627 4.2627 5.2888 5.2888 7.2933 7.2933 7.7803 7.7803 8.0023 8.0023 8.3408 8.3408 k = 0.1407 0.2438-0.0000 ( 7109 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8465 -37.8465 -37.8429 -37.8429 -37.5596 -37.5596 -37.5586 -37.5586 -37.5548 -37.5548 -37.5538 -37.5538 -5.5403 -5.5403 -4.7503 -4.7503 0.9744 0.9744 2.3314 2.3314 2.4725 2.4725 3.9049 3.9049 4.3258 4.3258 5.3710 5.3710 7.3495 7.3495 7.7353 7.7353 7.9488 7.9488 8.3748 8.3748 k = 0.1333 0.2309-0.0000 ( 7101 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8465 -37.8465 -37.8428 -37.8428 -37.5596 -37.5596 -37.5586 -37.5586 -37.5548 -37.5548 -37.5538 -37.5538 -5.5696 -5.5696 -4.7600 -4.7600 0.9339 0.9339 2.4369 2.4369 2.5546 2.5546 3.9833 3.9833 4.3873 4.3873 5.4502 5.4502 7.4000 7.4000 7.6852 7.6852 7.8926 7.8926 8.4292 8.4292 k = 0.1259 0.2181-0.0000 ( 7097 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8466 -37.8466 -37.8428 -37.8428 -37.5596 -37.5596 -37.5586 -37.5586 -37.5547 -37.5547 -37.5539 -37.5539 -5.5978 -5.5978 -4.7700 -4.7700 0.8944 0.8944 2.5447 2.5447 2.6418 2.6418 4.0597 4.0597 4.4472 4.4472 5.5258 5.5258 7.4442 7.4442 7.6275 7.6275 7.8395 7.8395 8.4991 8.4991 k = 0.1185 0.2053-0.0000 ( 7103 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8466 -37.8466 -37.8427 -37.8427 -37.5596 -37.5596 -37.5586 -37.5586 -37.5547 -37.5547 -37.5539 -37.5539 -5.6248 -5.6248 -4.7799 -4.7799 0.8562 0.8562 2.6541 2.6541 2.7336 2.7336 4.1339 4.1339 4.5055 4.5055 5.5974 5.5974 7.4768 7.4768 7.5635 7.5635 7.7947 7.7947 8.5803 8.5803 k = 0.1111 0.1925-0.0000 ( 7119 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8467 -37.8467 -37.8427 -37.8427 -37.5596 -37.5596 -37.5587 -37.5587 -37.5547 -37.5547 -37.5539 -37.5539 -5.6507 -5.6507 -4.7898 -4.7898 0.8195 0.8195 2.7646 2.7646 2.8296 2.8296 4.2058 4.2058 4.5624 4.5624 5.6646 5.6646 7.4610 7.4610 7.5234 7.5234 7.7654 7.7654 8.6412 8.6412 k = 0.1037 0.1796-0.0000 ( 7127 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8467 -37.8467 -37.8426 -37.8426 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5539 -37.5539 -5.6752 -5.6752 -4.7996 -4.7996 0.7845 0.7845 2.8753 2.8753 2.9290 2.9290 4.2754 4.2754 4.6182 4.6182 5.7269 5.7269 7.3826 7.3826 7.5105 7.5105 7.7625 7.7625 8.6441 8.6441 k = 0.0963 0.1668-0.0000 ( 7127 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8468 -37.8468 -37.8426 -37.8426 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5539 -37.5539 -5.6983 -5.6983 -4.8091 -4.8091 0.7515 0.7515 2.9852 2.9852 3.0313 3.0313 4.3428 4.3428 4.6732 4.6732 5.7840 5.7840 7.2899 7.2899 7.4728 7.4728 7.7893 7.7893 8.6530 8.6530 k = 0.0889 0.1540-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8425 -37.8425 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5539 -37.5539 -5.7200 -5.7200 -4.8183 -4.8183 0.7205 0.7205 3.0934 3.0934 3.1356 3.1356 4.4082 4.4082 4.7279 4.7279 5.8356 5.8356 7.1899 7.1899 7.4117 7.4117 7.8375 7.8375 8.6694 8.6694 k = 0.0815 0.1411-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8425 -37.8425 -37.5595 -37.5595 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.7402 -5.7402 -4.8270 -4.8270 0.6917 0.6917 3.1993 3.1993 3.2406 3.2406 4.4720 4.4720 4.7829 4.7829 5.8815 5.8815 7.0843 7.0843 7.3341 7.3341 7.8989 7.8989 8.6912 8.6912 k = 0.0741 0.1283-0.0000 ( 7129 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8425 -37.8425 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.7588 -5.7588 -4.8353 -4.8353 0.6651 0.6651 3.3021 3.3021 3.3444 3.3444 4.5347 4.5347 4.8390 4.8390 5.9215 5.9215 6.9739 6.9739 7.2445 7.2445 7.9696 7.9696 8.7152 8.7152 k = 0.0667 0.1155-0.0000 ( 7129 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8424 -37.8424 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.7758 -5.7758 -4.8430 -4.8430 0.6408 0.6408 3.4010 3.4010 3.4453 3.4453 4.5970 4.5970 4.8972 4.8972 5.9554 5.9554 6.8594 6.8594 7.1459 7.1459 8.0474 8.0474 8.7369 8.7369 k = 0.0593 0.1026-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8424 -37.8424 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.7911 -5.7911 -4.8501 -4.8501 0.6190 0.6190 3.4948 3.4948 3.5413 3.5413 4.6595 4.6595 4.9585 4.9585 5.9829 5.9829 6.7416 6.7416 7.0415 7.0415 8.1309 8.1309 8.7515 8.7515 k = 0.0519 0.0898-0.0000 ( 7129 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8047 -5.8047 -4.8565 -4.8565 0.5996 0.5996 3.5822 3.5822 3.6305 3.6305 4.7228 4.7228 5.0237 5.0237 6.0036 6.0036 6.6213 6.6213 6.9346 6.9346 8.2187 8.2187 8.7562 8.7562 k = 0.0444 0.0770-0.0000 ( 7137 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.8165 -5.8165 -4.8621 -4.8621 0.5827 0.5827 3.6615 3.6615 3.7110 3.7110 4.7870 4.7870 5.0937 5.0937 6.0168 6.0168 6.4999 6.4999 6.8292 6.8292 8.3092 8.3092 8.7518 8.7518 k = 0.0370 0.0642-0.0000 ( 7139 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.8266 -5.8266 -4.8669 -4.8669 0.5684 0.5684 3.7312 3.7312 3.7815 3.7815 4.8517 4.8517 5.1689 5.1689 6.0216 6.0216 6.3787 6.3787 6.7298 6.7298 8.4002 8.4002 8.7419 8.7419 k = 0.0296 0.0513-0.0000 ( 7133 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8349 -5.8349 -4.8709 -4.8709 0.5566 0.5566 3.7899 3.7899 3.8404 3.8404 4.9153 4.9153 5.2490 5.2490 6.0168 6.0168 6.2604 6.2604 6.6416 6.6416 8.4886 8.4886 8.7300 8.7300 k = 0.0222 0.0385-0.0000 ( 7133 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8413 -5.8413 -4.8741 -4.8741 0.5475 0.5475 3.8364 3.8364 3.8870 3.8870 4.9745 4.9745 5.3323 5.3323 6.0010 6.0010 6.1500 6.1500 6.5695 6.5695 8.5701 8.5701 8.7190 8.7190 k = 0.0148 0.0257-0.0000 ( 7133 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8460 -5.8460 -4.8764 -4.8764 0.5409 0.5409 3.8700 3.8700 3.9205 3.9205 5.0244 5.0244 5.4141 5.4141 5.9695 5.9695 6.0606 6.0606 6.5172 6.5172 8.6382 8.6382 8.7105 8.7105 k = 0.0074 0.0128-0.0000 ( 7133 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8487 -5.8487 -4.8777 -4.8777 0.5369 0.5369 3.8904 3.8904 3.9407 3.9407 5.0585 5.0585 5.4825 5.4825 5.9192 5.9192 6.0139 6.0139 6.4862 6.4862 8.6838 8.6838 8.7061 8.7061 k = 0.0000 0.0000 0.0000 ( 7137 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8497 -5.8497 -4.8782 -4.8782 0.5356 0.5356 3.8972 3.8972 3.9474 3.9474 5.0707 5.0707 5.5120 5.5120 5.8914 5.8914 6.0016 6.0016 6.4760 6.4760 8.6965 8.6965 8.7084 8.7084 k = 0.0000 0.0000 0.0000 ( 7137 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8497 -5.8497 -4.8782 -4.8782 0.5356 0.5356 3.8972 3.8972 3.9474 3.9474 5.0707 5.0707 5.5120 5.5120 5.8914 5.8914 6.0016 6.0016 6.4760 6.4760 8.6965 8.6965 8.7084 8.7084 k = 0.0000 0.0000 0.0145 ( 7149 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.8488 -5.8488 -4.8797 -4.8797 0.5394 0.5394 3.8965 3.8965 3.9446 3.9446 5.0717 5.0717 5.4918 5.4918 5.8904 5.8904 6.0164 6.0164 6.4825 6.4825 8.6920 8.6920 8.7041 8.7041 k = 0.0000 0.0000 0.0289 ( 7161 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8471 -37.8471 -37.8423 -37.8423 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.8462 -5.8462 -4.8843 -4.8843 0.5508 0.5508 3.8930 3.8930 3.9375 3.9375 5.0745 5.0745 5.4383 5.4383 5.8876 5.8876 6.0536 6.0536 6.5018 6.5018 8.6790 8.6790 8.6918 8.6918 k = 0.0000 0.0000 0.0434 ( 7150 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5539 -37.5539 -5.8419 -5.8419 -4.8918 -4.8918 0.5697 0.5697 3.8812 3.8812 3.9315 3.9315 5.0794 5.0794 5.3652 5.3652 5.8828 5.8828 6.0996 6.0996 6.5340 6.5340 8.6585 8.6585 8.6725 8.6725 k = 0.0000 0.0000 0.0578 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5539 -37.5539 -5.8359 -5.8359 -4.9022 -4.9022 0.5960 0.5960 3.8561 3.8561 3.9311 3.9311 5.0861 5.0861 5.2827 5.2827 5.8761 5.8761 6.1455 6.1455 6.5780 6.5780 8.6322 8.6322 8.6480 8.6480 k = 0.0000 0.0000 0.0723 ( 7156 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.8282 -5.8282 -4.9153 -4.9153 0.6296 0.6296 3.8184 3.8184 3.9355 3.9355 5.0947 5.0947 5.1970 5.1970 5.8675 5.8675 6.1874 6.1874 6.6312 6.6312 8.6018 8.6018 8.6197 8.6197 k = 0.0000 0.0000 0.0867 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.8189 -5.8189 -4.9310 -4.9310 0.6703 0.6703 3.7695 3.7695 3.9430 3.9430 5.1051 5.1051 5.1119 5.1119 5.8569 5.8569 6.2250 6.2250 6.6901 6.6901 8.5688 8.5688 8.5893 8.5893 k = 0.0000 0.0000 0.1012 ( 7150 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.8080 -5.8080 -4.9491 -4.9491 0.7179 0.7179 3.7099 3.7099 3.9526 3.9526 5.0299 5.0299 5.1174 5.1174 5.8445 5.8445 6.2595 6.2595 6.7508 6.7508 8.5347 8.5347 8.5581 8.5581 k = 0.0000 0.0000 0.1156 ( 7138 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.7955 -5.7955 -4.9694 -4.9694 0.7722 0.7722 3.6403 3.6403 3.9641 3.9641 4.9523 4.9523 5.1314 5.1314 5.8302 5.8302 6.2922 6.2922 6.8098 6.8098 8.5006 8.5006 8.5269 8.5269 k = 0.0000 0.0000 0.1301 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.7816 -5.7816 -4.9917 -4.9917 0.8329 0.8329 3.5609 3.5609 3.9773 3.9773 4.8801 4.8801 5.1472 5.1472 5.8141 5.8141 6.3243 6.3243 6.8646 6.8646 8.4676 8.4676 8.4967 8.4967 k = 0.0000 0.0000 0.1445 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.7662 -5.7662 -5.0156 -5.0156 0.8998 0.8998 3.4728 3.4728 3.9920 3.9920 4.8134 4.8134 5.1645 5.1645 5.7961 5.7961 6.3565 6.3565 6.9129 6.9129 8.4361 8.4361 8.4679 8.4679 k = 0.0000 0.0000 0.1590 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.7496 -5.7496 -5.0409 -5.0409 0.9726 0.9726 3.3766 3.3766 4.0083 4.0083 4.7522 4.7522 5.1835 5.1835 5.7765 5.7765 6.3894 6.3894 6.9534 6.9534 8.4068 8.4068 8.4410 8.4410 k = 0.0000 0.0000 0.1734 ( 7138 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.7318 -5.7318 -5.0674 -5.0674 1.0509 1.0509 3.2737 3.2737 4.0259 4.0259 4.6961 4.6961 5.2040 5.2040 5.7553 5.7553 6.4233 6.4233 6.9849 6.9849 8.3800 8.3800 8.4163 8.4163 k = 0.0000 0.0000 0.1879 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.7130 -5.7130 -5.0945 -5.0945 1.1345 1.1345 3.1651 3.1651 4.0448 4.0448 4.6445 4.6445 5.2258 5.2258 5.7325 5.7325 6.4583 6.4583 7.0071 7.0071 8.3560 8.3560 8.3940 8.3940 k = 0.0000 0.0000 0.2023 ( 7126 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.6934 -5.6934 -5.1221 -5.1221 1.2231 1.2231 3.0521 3.0521 4.0649 4.0649 4.5970 4.5970 5.2490 5.2490 5.7084 5.7084 6.4943 6.4943 7.0199 7.0199 8.3349 8.3349 8.3741 8.3741 k = 0.0000 0.0000 0.2168 ( 7126 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.6732 -5.6732 -5.1497 -5.1497 1.3162 1.3162 2.9356 2.9356 4.0861 4.0861 4.5530 4.5530 5.2733 5.2733 5.6831 5.6831 6.5312 6.5312 7.0237 7.0237 8.3166 8.3166 8.3567 8.3567 k = 0.0000 0.0000 0.2313 ( 7126 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.6529 -5.6529 -5.1767 -5.1767 1.4135 1.4135 2.8169 2.8169 4.1083 4.1083 4.5121 4.5121 5.2986 5.2986 5.6568 5.6568 6.5688 6.5688 7.0194 7.0194 8.3011 8.3011 8.3418 8.3418 k = 0.0000 0.0000 0.2457 ( 7138 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.6330 -5.6330 -5.2026 -5.2026 1.5145 1.5145 2.6969 2.6969 4.1312 4.1312 4.4741 4.4741 5.3247 5.3247 5.6297 5.6297 6.6065 6.6065 7.0080 7.0080 8.2884 8.2884 8.3293 8.3293 k = 0.0000 0.0000 0.2602 ( 7150 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.6140 -5.6140 -5.2265 -5.2265 1.6187 1.6187 2.5766 2.5766 4.1544 4.1544 4.4390 4.4390 5.3513 5.3513 5.6023 5.6023 6.6436 6.6436 6.9910 6.9910 8.2782 8.2782 8.3191 8.3191 k = 0.0000 0.0000 0.2746 ( 7162 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5971 -5.5971 -5.2474 -5.2474 1.7252 1.7252 2.4572 2.4572 4.1773 4.1773 4.4072 4.4072 5.3778 5.3778 5.5751 5.5751 6.6788 6.6788 6.9706 6.9706 8.2705 8.2705 8.3113 8.3113 k = 0.0000 0.0000 0.2891 ( 7168 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5834 -5.5834 -5.2640 -5.2640 1.8320 1.8320 2.3411 2.3411 4.1985 4.1985 4.3798 4.3798 5.4033 5.4033 5.5491 5.5491 6.7099 6.7099 6.9495 6.9495 8.2651 8.2651 8.3057 8.3057 k = 0.0000 0.0000 0.3035 ( 7162 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5743 -5.5743 -5.2748 -5.2748 1.9324 1.9324 2.2350 2.2350 4.2150 4.2150 4.3596 4.3596 5.4248 5.4248 5.5273 5.5273 6.7328 6.7328 6.9324 6.9324 8.2619 8.2619 8.3024 8.3024 k = 0.0000 0.0000 0.3180 ( 7162 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5711 -5.5711 -5.2785 -5.2785 1.9886 1.9886 2.1768 2.1768 4.2216 4.2216 4.3518 4.3518 5.4344 5.4344 5.5175 5.5175 6.7416 6.7416 6.9255 6.9255 8.2609 8.2609 8.3013 8.3013 k = 0.0000 0.0000 0.3180 ( 7162 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5711 -5.5711 -5.2785 -5.2785 1.9886 1.9886 2.1768 2.1768 4.2216 4.2216 4.3518 4.3518 5.4344 5.4344 5.5175 5.5175 6.7416 6.7416 6.9255 6.9255 8.2609 8.2609 8.3013 8.3013 k = 0.0128 0.0074 0.3180 ( 7168 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5703 -5.5703 -5.2779 -5.2779 1.9880 1.9880 2.1761 2.1761 4.2163 4.2163 4.3474 4.3474 5.4249 5.4249 5.5073 5.5073 6.7553 6.7553 6.9390 6.9390 8.2478 8.2478 8.2969 8.2969 k = 0.0256 0.0148 0.3180 ( 7168 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5678 -5.5678 -5.2758 -5.2758 1.9862 1.9862 2.1739 2.1739 4.2006 4.2006 4.3343 4.3343 5.3976 5.3976 5.4781 5.4781 6.7946 6.7946 6.9777 6.9777 8.1959 8.1959 8.3046 8.3046 k = 0.0385 0.0222 0.3180 ( 7172 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9699 -37.9699 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5636 -5.5636 -5.2724 -5.2724 1.9830 1.9830 2.1702 2.1702 4.1749 4.1749 4.3130 4.3130 5.3561 5.3561 5.4334 5.4334 6.8552 6.8552 7.0369 7.0369 8.1194 8.1194 8.3264 8.3264 k = 0.0513 0.0296 0.3180 ( 7176 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9699 -37.9699 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5579 -5.5579 -5.2677 -5.2677 1.9783 1.9783 2.1648 2.1648 4.1396 4.1396 4.2840 4.2840 5.3045 5.3045 5.3779 5.3779 6.9316 6.9316 7.1097 7.1097 8.0366 8.0366 8.3583 8.3583 k = 0.0641 0.0370 0.3180 ( 7176 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9699 -37.9699 -37.9675 -37.9675 -37.8470 -37.8470 -37.8424 -37.8424 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5504 -5.5504 -5.2616 -5.2616 1.9719 1.9719 2.1574 2.1574 4.0957 4.0957 4.2481 4.2481 5.2461 5.2461 5.3162 5.3162 7.0173 7.0173 7.1872 7.1872 7.9610 7.9610 8.3989 8.3989 k = 0.0769 0.0444 0.3180 ( 7162 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8424 -37.8424 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5414 -5.5414 -5.2542 -5.2542 1.9637 1.9637 2.1478 2.1478 4.0444 4.0444 4.2063 4.2063 5.1833 5.1833 5.2521 5.2521 7.1043 7.1043 7.2580 7.2580 7.9072 7.9072 8.4469 8.4469 k = 0.0897 0.0518 0.3180 ( 7170 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8424 -37.8424 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5309 -5.5309 -5.2456 -5.2456 1.9531 1.9531 2.1356 2.1356 3.9872 3.9872 4.1598 4.1598 5.1177 5.1177 5.1886 5.1886 7.1776 7.1776 7.3136 7.3136 7.8927 7.8927 8.4999 8.4999 k = 0.1026 0.0592 0.3180 ( 7174 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9699 -37.9699 -37.9676 -37.9676 -37.8469 -37.8469 -37.8424 -37.8424 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5187 -5.5187 -5.2358 -5.2358 1.9400 1.9400 2.1206 2.1206 3.9257 3.9257 4.1096 4.1096 5.0505 5.0505 5.1276 5.1276 7.2065 7.2065 7.3672 7.3672 7.9287 7.9287 8.5496 8.5496 k = 0.1154 0.0666 0.3180 ( 7174 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9699 -37.9699 -37.9676 -37.9676 -37.8469 -37.8469 -37.8425 -37.8425 -37.5596 -37.5596 -37.5588 -37.5588 -37.5546 -37.5546 -37.5540 -37.5540 -5.5051 -5.5051 -5.2248 -5.2248 1.9237 1.9237 2.1022 2.1022 3.8617 3.8617 4.0570 4.0570 4.9830 4.9830 5.0695 5.0695 7.1785 7.1785 7.4307 7.4307 8.0080 8.0080 8.5714 8.5714 k = 0.1282 0.0740 0.3180 ( 7168 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8469 -37.8469 -37.8425 -37.8425 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4901 -5.4901 -5.2127 -5.2127 1.9039 1.9039 2.0803 2.0803 3.7971 3.7971 4.0034 4.0034 4.9162 4.9162 5.0145 5.0145 7.1175 7.1175 7.4888 7.4888 8.1137 8.1137 8.5721 8.5721 k = 0.1410 0.0814 0.3180 ( 7158 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8468 -37.8468 -37.8425 -37.8425 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4737 -5.4737 -5.1995 -5.1995 1.8800 1.8800 2.0546 2.0546 3.7335 3.7335 3.9498 3.9498 4.8512 4.8512 4.9623 4.9623 7.0418 7.0418 7.5293 7.5293 8.2319 8.2319 8.5870 8.5870 k = 0.1538 0.0888 0.3180 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8426 -37.8426 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4559 -5.4559 -5.1853 -5.1853 1.8514 1.8514 2.0247 2.0247 3.6723 3.6723 3.8976 3.8976 4.7886 4.7886 4.9126 4.9126 6.9599 6.9599 7.5471 7.5471 8.3528 8.3528 8.6271 8.6271 k = 0.1667 0.0962 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8426 -37.8426 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4369 -5.4369 -5.1702 -5.1702 1.8177 1.8177 1.9909 1.9909 3.6150 3.6150 3.8476 3.8476 4.7286 4.7286 4.8652 4.8652 6.8762 6.8762 7.5430 7.5430 8.4692 8.4692 8.6909 8.6909 k = 0.1795 0.1036 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8467 -37.8467 -37.8427 -37.8427 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4167 -5.4167 -5.1543 -5.1543 1.7785 1.7785 1.9530 1.9530 3.5624 3.5624 3.8010 3.8010 4.6717 4.6717 4.8200 4.8200 6.7929 6.7929 7.5209 7.5209 8.5759 8.5759 8.7680 8.7680 k = 0.1923 0.1110 0.3180 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8467 -37.8467 -37.8427 -37.8427 -37.5596 -37.5596 -37.5587 -37.5587 -37.5547 -37.5547 -37.5540 -37.5540 -5.3954 -5.3954 -5.1377 -5.1377 1.7336 1.7336 1.9114 1.9114 3.5151 3.5151 3.7582 3.7582 4.6179 4.6179 4.7770 4.7770 6.7114 6.7114 7.4861 7.4861 8.6692 8.6692 8.8413 8.8413 k = 0.2051 0.1184 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8466 -37.8466 -37.8428 -37.8428 -37.5596 -37.5596 -37.5587 -37.5587 -37.5547 -37.5547 -37.5539 -37.5539 -5.3731 -5.3731 -5.1204 -5.1204 1.6831 1.6831 1.8662 1.8662 3.4736 3.4736 3.7197 3.7197 4.5674 4.5674 4.7362 4.7362 6.6323 6.6323 7.4430 7.4430 8.7437 8.7437 8.8907 8.8907 k = 0.2179 0.1258 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8466 -37.8466 -37.8428 -37.8428 -37.5596 -37.5596 -37.5587 -37.5587 -37.5547 -37.5547 -37.5539 -37.5539 -5.3498 -5.3498 -5.1025 -5.1025 1.6272 1.6272 1.8178 1.8178 3.4380 3.4380 3.6858 3.6858 4.5203 4.5203 4.6975 4.6975 6.5564 6.5564 7.3950 7.3950 8.7869 8.7869 8.9063 8.9063 k = 0.2308 0.1332 0.3180 ( 7126 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8465 -37.8465 -37.8429 -37.8429 -37.5596 -37.5596 -37.5586 -37.5586 -37.5548 -37.5548 -37.5539 -37.5539 -5.3258 -5.3258 -5.0842 -5.0842 1.5666 1.5666 1.7666 1.7666 3.4082 3.4082 3.6562 3.6562 4.4768 4.4768 4.6611 4.6611 6.4838 6.4838 7.3445 7.3445 8.7791 8.7791 8.9007 8.9007 k = 0.2436 0.1406 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8465 -37.8465 -37.8429 -37.8429 -37.5596 -37.5596 -37.5586 -37.5586 -37.5548 -37.5548 -37.5539 -37.5539 -5.3010 -5.3010 -5.0656 -5.0656 1.5019 1.5019 1.7129 1.7129 3.3839 3.3839 3.6309 3.6309 4.4369 4.4369 4.6271 4.6271 6.4150 6.4150 7.2933 7.2933 8.7200 8.7200 8.8824 8.8824 k = 0.2564 0.1480 0.3180 ( 7120 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8464 -37.8464 -37.8430 -37.8430 -37.5596 -37.5596 -37.5586 -37.5586 -37.5548 -37.5548 -37.5539 -37.5539 -5.2757 -5.2757 -5.0469 -5.0469 1.4342 1.4342 1.6572 1.6572 3.3647 3.3647 3.6092 3.6092 4.4008 4.4008 4.5956 4.5956 6.3502 6.3502 7.2423 7.2423 8.6321 8.6321 8.8451 8.8451 k = 0.2692 0.1554 0.3180 ( 7120 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8464 -37.8464 -37.8431 -37.8431 -37.5596 -37.5596 -37.5586 -37.5586 -37.5549 -37.5549 -37.5539 -37.5539 -5.2500 -5.2500 -5.0281 -5.0281 1.3644 1.3644 1.5999 1.5999 3.3502 3.3502 3.5908 3.5908 4.3683 4.3683 4.5668 4.5668 6.2895 6.2895 7.1924 7.1924 8.5303 8.5303 8.7897 8.7897 k = 0.2821 0.1628 0.3180 ( 7130 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8463 -37.8463 -37.8431 -37.8431 -37.5597 -37.5597 -37.5586 -37.5586 -37.5549 -37.5549 -37.5538 -37.5538 -5.2239 -5.2239 -5.0093 -5.0093 1.2933 1.2933 1.5416 1.5416 3.3398 3.3398 3.5749 3.5749 4.3397 4.3397 4.5407 4.5407 6.2333 6.2333 7.1441 7.1441 8.4219 8.4219 8.7215 8.7215 k = 0.2949 0.1702 0.3180 ( 7124 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8463 -37.8463 -37.8432 -37.8432 -37.5597 -37.5597 -37.5586 -37.5586 -37.5550 -37.5550 -37.5538 -37.5538 -5.1977 -5.1977 -4.9908 -4.9908 1.2220 1.2220 1.4829 1.4829 3.3330 3.3330 3.5610 3.5610 4.3148 4.3148 4.5174 4.5174 6.1816 6.1816 7.0976 7.0976 8.3110 8.3110 8.6457 8.6457 k = 0.3077 0.1776 0.3180 ( 7122 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8462 -37.8462 -37.8433 -37.8433 -37.5597 -37.5597 -37.5585 -37.5585 -37.5550 -37.5550 -37.5538 -37.5538 -5.1715 -5.1715 -4.9727 -4.9727 1.1512 1.1512 1.4244 1.4244 3.3292 3.3292 3.5486 3.5486 4.2936 4.2936 4.4969 4.4969 6.1346 6.1346 7.0533 7.0533 8.2000 8.2000 8.5658 8.5658 k = 0.3205 0.1850 0.3180 ( 7126 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8462 -37.8462 -37.8433 -37.8433 -37.5597 -37.5597 -37.5585 -37.5585 -37.5550 -37.5550 -37.5538 -37.5538 -5.1454 -5.1454 -4.9551 -4.9551 1.0817 1.0817 1.3665 1.3665 3.3281 3.3281 3.5372 3.5372 4.2759 4.2759 4.4793 4.4793 6.0926 6.0926 7.0111 7.0111 8.0905 8.0905 8.4843 8.4843 k = 0.3333 0.1925 0.3180 ( 7118 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8461 -37.8461 -37.8434 -37.8434 -37.5597 -37.5597 -37.5585 -37.5585 -37.5551 -37.5551 -37.5538 -37.5538 -5.1197 -5.1197 -4.9382 -4.9382 1.0142 1.0142 1.3101 1.3101 3.3290 3.3290 3.5264 3.5264 4.2615 4.2615 4.4646 4.4646 6.0556 6.0556 6.9710 6.9710 7.9837 7.9837 8.4031 8.4031 k = 0.3462 0.1999 0.3180 ( 7126 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8461 -37.8461 -37.8435 -37.8435 -37.5597 -37.5597 -37.5585 -37.5585 -37.5551 -37.5551 -37.5538 -37.5538 -5.0946 -5.0946 -4.9222 -4.9222 0.9492 0.9492 1.2554 1.2554 3.3314 3.3314 3.5161 3.5161 4.2502 4.2502 4.4524 4.4524 6.0238 6.0238 6.9329 6.9329 7.8808 7.8808 8.3235 8.3235 k = 0.3590 0.2073 0.3180 ( 7118 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8460 -37.8460 -37.8435 -37.8435 -37.5598 -37.5598 -37.5584 -37.5584 -37.5552 -37.5552 -37.5538 -37.5538 -5.0701 -5.0701 -4.9071 -4.9071 0.8875 0.8875 1.2032 1.2032 3.3351 3.3351 3.5060 3.5060 4.2417 4.2417 4.4427 4.4427 5.9974 5.9974 6.8966 6.8966 7.7828 7.7828 8.2465 8.2465 k = 0.3718 0.2147 0.3180 ( 7122 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8459 -37.8459 -37.8436 -37.8436 -37.5598 -37.5598 -37.5584 -37.5584 -37.5552 -37.5552 -37.5537 -37.5537 -5.0465 -5.0465 -4.8931 -4.8931 0.8295 0.8295 1.1539 1.1539 3.3397 3.3397 3.4961 3.4961 4.2356 4.2356 4.4352 4.4352 5.9763 5.9763 6.8618 6.8618 7.6904 7.6904 8.1732 8.1732 k = 0.3846 0.2221 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8459 -37.8459 -37.8437 -37.8437 -37.5598 -37.5598 -37.5584 -37.5584 -37.5552 -37.5552 -37.5537 -37.5537 -5.0241 -5.0241 -4.8804 -4.8804 0.7757 0.7757 1.1079 1.1079 3.3447 3.3447 3.4864 3.4864 4.2317 4.2317 4.4293 4.4293 5.9604 5.9604 6.8284 6.8284 7.6048 7.6048 8.1041 8.1041 k = 0.3974 0.2295 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8459 -37.8459 -37.8437 -37.8437 -37.5598 -37.5598 -37.5584 -37.5584 -37.5553 -37.5553 -37.5537 -37.5537 -5.0030 -5.0030 -4.8691 -4.8691 0.7264 0.7264 1.0656 1.0656 3.3501 3.3501 3.4770 3.4770 4.2297 4.2297 4.4249 4.4249 5.9497 5.9497 6.7959 6.7959 7.5269 7.5269 8.0400 8.0400 k = 0.4103 0.2369 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8458 -37.8458 -37.8438 -37.8438 -37.5598 -37.5598 -37.5584 -37.5584 -37.5553 -37.5553 -37.5537 -37.5537 -4.9834 -4.9834 -4.8592 -4.8592 0.6821 0.6821 1.0274 1.0274 3.3555 3.3555 3.4680 3.4680 4.2292 4.2292 4.4216 4.4216 5.9437 5.9437 6.7642 6.7642 7.4574 7.4574 7.9815 7.9815 k = 0.4231 0.2443 0.3180 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8458 -37.8458 -37.8439 -37.8439 -37.5598 -37.5598 -37.5584 -37.5584 -37.5553 -37.5553 -37.5537 -37.5537 -4.9656 -4.9656 -4.8508 -4.8508 0.6430 0.6430 0.9937 0.9937 3.3608 3.3608 3.4595 3.4595 4.2299 4.2299 4.4189 4.4189 5.9420 5.9420 6.7334 6.7334 7.3971 7.3971 7.9292 7.9292 k = 0.4359 0.2517 0.3180 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8457 -37.8457 -37.8439 -37.8439 -37.5598 -37.5598 -37.5583 -37.5583 -37.5553 -37.5553 -37.5537 -37.5537 -4.9498 -4.9498 -4.8439 -4.8439 0.6094 0.6094 0.9647 0.9647 3.3658 3.3658 3.4516 3.4516 4.2315 4.2315 4.4168 4.4168 5.9437 5.9437 6.7040 6.7040 7.3464 7.3464 7.8838 7.8838 k = 0.4487 0.2591 0.3180 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8457 -37.8457 -37.8439 -37.8439 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9363 -4.9363 -4.8386 -4.8386 0.5817 0.5817 0.9406 0.9406 3.3705 3.3705 3.4446 3.4446 4.2334 4.2334 4.4151 4.4151 5.9479 5.9479 6.6768 6.6768 7.3055 7.3055 7.8457 7.8457 k = 0.4615 0.2665 0.3180 ( 7120 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9254 -4.9254 -4.8346 -4.8346 0.5599 0.5599 0.9216 0.9216 3.3746 3.3746 3.4386 3.4386 4.2355 4.2355 4.4136 4.4136 5.9533 5.9533 6.6532 6.6532 7.2743 7.2743 7.8154 7.8154 k = 0.4744 0.2739 0.3180 ( 7116 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5598 -37.5598 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9173 -4.9173 -4.8320 -4.8320 0.5442 0.5442 0.9080 0.9080 3.3779 3.3779 3.4339 3.4339 4.2373 4.2373 4.4125 4.4125 5.9585 5.9585 6.6346 6.6346 7.2524 7.2524 7.7935 7.7935 k = 0.4872 0.2813 0.3180 ( 7116 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5598 -37.5598 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9123 -4.9123 -4.8304 -4.8304 0.5347 0.5347 0.8998 0.8998 3.3801 3.3801 3.4308 3.4308 4.2385 4.2385 4.4118 4.4118 5.9623 5.9623 6.6226 6.6226 7.2395 7.2395 7.7802 7.7802 k = 0.5000 0.2887 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9106 -4.9106 -4.8300 -4.8300 0.5316 0.5316 0.8970 0.8970 3.3809 3.3809 3.4297 3.4297 4.2389 4.2389 4.4116 4.4116 5.9637 5.9637 6.6185 6.6185 7.2352 7.2352 7.7757 7.7757 k = 0.5000 0.2887 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9106 -4.9106 -4.8300 -4.8300 0.5316 0.5316 0.8970 0.8970 3.3809 3.3809 3.4297 3.4297 4.2389 4.2389 4.4116 4.4116 5.9637 5.9637 6.6185 6.6185 7.2352 7.2352 7.7757 7.7757 k = 0.4928 0.3012 0.3180 ( 7124 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9102 -4.9102 -4.8297 -4.8297 0.5329 0.5329 0.8978 0.8978 3.3411 3.3411 3.4549 3.4549 4.2304 4.2304 4.4216 4.4216 5.9712 5.9712 6.6237 6.6237 7.2429 7.2429 7.7791 7.7791 k = 0.4855 0.3138 0.3180 ( 7124 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9091 -4.9091 -4.8290 -4.8290 0.5367 0.5367 0.9003 0.9003 3.2732 3.2732 3.4788 3.4788 4.2115 4.2115 4.4457 4.4457 5.9935 5.9935 6.6386 6.6386 7.2661 7.2661 7.7895 7.7895 k = 0.4783 0.3263 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9073 -4.9073 -4.8278 -4.8278 0.5431 0.5431 0.9045 0.9045 3.1941 3.1941 3.4844 3.4844 4.1930 4.1930 4.4750 4.4750 6.0298 6.0298 6.6613 6.6613 7.3057 7.3057 7.8068 7.8068 k = 0.4710 0.3389 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8441 -37.8441 -37.5599 -37.5599 -37.5582 -37.5582 -37.5554 -37.5554 -37.5537 -37.5537 -4.9047 -4.9047 -4.8262 -4.8262 0.5521 0.5521 0.9102 0.9102 3.1070 3.1070 3.4691 3.4691 4.1815 4.1815 4.5045 4.5045 6.0789 6.0789 6.6892 6.6892 7.3624 7.3624 7.8316 7.8316 k = 0.4638 0.3514 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8441 -37.8441 -37.5599 -37.5599 -37.5582 -37.5582 -37.5555 -37.5555 -37.5537 -37.5537 -4.9015 -4.9015 -4.8241 -4.8241 0.5635 0.5635 0.9175 0.9175 3.0140 3.0140 3.4339 3.4339 4.1792 4.1792 4.5321 4.5321 6.1390 6.1390 6.7197 6.7197 7.4368 7.4368 7.8639 7.8639 k = 0.4565 0.3640 0.3180 ( 7122 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8441 -37.8441 -37.5599 -37.5599 -37.5581 -37.5581 -37.5555 -37.5555 -37.5536 -37.5536 -4.8976 -4.8976 -4.8216 -4.8216 0.5774 0.5774 0.9262 0.9262 2.9168 2.9168 3.3819 3.3819 4.1854 4.1854 4.5573 4.5573 6.2079 6.2079 6.7508 6.7508 7.5284 7.5284 7.9045 7.9045 k = 0.4493 0.3765 0.3180 ( 7118 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8441 -37.8441 -37.5599 -37.5599 -37.5581 -37.5581 -37.5555 -37.5555 -37.5536 -37.5536 -4.8931 -4.8931 -4.8189 -4.8189 0.5937 0.5937 0.9364 0.9364 2.8167 2.8167 3.3172 3.3172 4.1980 4.1980 4.5802 4.5802 6.2833 6.2833 6.7812 6.7812 7.6356 7.6356 7.9539 7.9539 k = 0.4420 0.3891 0.3180 ( 7126 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8441 -37.8441 -37.5600 -37.5600 -37.5580 -37.5580 -37.5556 -37.5556 -37.5536 -37.5536 -4.8880 -4.8880 -4.8158 -4.8158 0.6123 0.6123 0.9478 0.9478 2.7150 2.7150 3.2436 3.2436 4.2149 4.2149 4.6010 4.6010 6.3626 6.3626 6.8105 6.8105 7.7554 7.7554 8.0135 8.0135 k = 0.4348 0.4016 0.3180 ( 7118 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8442 -37.8442 -37.5600 -37.5600 -37.5580 -37.5580 -37.5556 -37.5556 -37.5536 -37.5536 -4.8824 -4.8824 -4.8125 -4.8125 0.6332 0.6332 0.9603 0.9603 2.6127 2.6127 3.1645 3.1645 4.2344 4.2344 4.6204 4.6204 6.4435 6.4435 6.8386 6.8386 7.8819 7.8819 8.0864 8.0864 k = 0.4275 0.4142 0.3180 ( 7110 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8442 -37.8442 -37.5600 -37.5600 -37.5579 -37.5579 -37.5557 -37.5557 -37.5536 -37.5536 -4.8763 -4.8763 -4.8091 -4.8091 0.6561 0.6561 0.9738 0.9738 2.5108 2.5108 3.0826 3.0826 4.2554 4.2554 4.6386 4.6386 6.5236 6.5236 6.8658 6.8658 8.0032 8.0032 8.1806 8.1806 k = 0.4203 0.4267 0.3180 ( 7114 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8442 -37.8442 -37.5600 -37.5600 -37.5578 -37.5578 -37.5557 -37.5557 -37.5536 -37.5536 -4.8699 -4.8699 -4.8056 -4.8056 0.6809 0.6809 0.9881 0.9881 2.4103 2.4103 2.9999 2.9999 4.2769 4.2769 4.6560 4.6560 6.6011 6.6011 6.8920 6.8920 8.1041 8.1041 8.3062 8.3062 k = 0.4130 0.4393 0.3180 ( 7130 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8443 -37.8443 -37.5601 -37.5601 -37.5578 -37.5578 -37.5558 -37.5558 -37.5536 -37.5536 -4.8631 -4.8631 -4.8021 -4.8021 0.7075 0.7075 1.0031 1.0031 2.3118 2.3118 2.9184 2.9184 4.2985 4.2985 4.6728 4.6728 6.6744 6.6744 6.9175 6.9175 8.1798 8.1798 8.4604 8.4604 k = 0.4058 0.4518 0.3180 ( 7130 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8453 -37.8453 -37.8443 -37.8443 -37.5601 -37.5601 -37.5577 -37.5577 -37.5559 -37.5559 -37.5535 -37.5535 -4.8561 -4.8561 -4.7987 -4.7987 0.7354 0.7354 1.0185 1.0185 2.2163 2.2163 2.8393 2.8393 4.3197 4.3197 4.6891 4.6891 6.7424 6.7424 6.9422 6.9422 8.2309 8.2309 8.6062 8.6062 k = 0.3986 0.4644 0.3180 ( 7142 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8453 -37.8453 -37.8444 -37.8444 -37.5601 -37.5601 -37.5577 -37.5577 -37.5560 -37.5560 -37.5535 -37.5535 -4.8489 -4.8489 -4.7955 -4.7955 0.7644 0.7644 1.0341 1.0341 2.1243 2.1243 2.7640 2.7640 4.3402 4.3402 4.7048 4.7048 6.8043 6.8043 6.9659 6.9659 8.2520 8.2520 8.5307 8.5307 k = 0.3913 0.4769 0.3180 ( 7138 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8453 -37.8453 -37.8444 -37.8444 -37.5601 -37.5601 -37.5576 -37.5576 -37.5560 -37.5560 -37.5535 -37.5535 -4.8416 -4.8416 -4.7926 -4.7926 0.7938 0.7938 1.0499 1.0499 2.0366 2.0366 2.6936 2.6936 4.3598 4.3598 4.7200 4.7200 6.8596 6.8596 6.9884 6.9884 8.2384 8.2384 8.4721 8.4721 k = 0.3841 0.4895 0.3180 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8452 -37.8452 -37.8444 -37.8444 -37.5602 -37.5602 -37.5575 -37.5575 -37.5561 -37.5561 -37.5535 -37.5535 -4.8343 -4.8343 -4.7901 -4.7901 0.8231 0.8231 1.0657 1.0657 1.9540 1.9540 2.6292 2.6292 4.3782 4.3782 4.7344 4.7344 6.9081 6.9081 7.0092 7.0092 8.1974 8.1974 8.4279 8.4279 k = 0.3768 0.5020 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8452 -37.8452 -37.8445 -37.8445 -37.5602 -37.5602 -37.5575 -37.5575 -37.5562 -37.5562 -37.5535 -37.5535 -4.8272 -4.8272 -4.7881 -4.7881 0.8511 0.8511 1.0814 1.0814 1.8775 1.8775 2.5716 2.5716 4.3951 4.3951 4.7479 4.7479 6.9495 6.9495 7.0278 7.0278 8.1446 8.1446 8.3893 8.3893 k = 0.3696 0.5146 0.3180 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8451 -37.8451 -37.8445 -37.8445 -37.5602 -37.5602 -37.5574 -37.5574 -37.5562 -37.5562 -37.5535 -37.5535 -4.8203 -4.8203 -4.7867 -4.7867 0.8769 0.8769 1.0972 1.0972 1.8079 1.8079 2.5218 2.5218 4.4103 4.4103 4.7601 4.7601 6.9839 6.9839 7.0436 7.0436 8.0916 8.0916 8.3526 8.3526 k = 0.3623 0.5271 0.3180 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8451 -37.8451 -37.8446 -37.8446 -37.5602 -37.5602 -37.5573 -37.5573 -37.5563 -37.5563 -37.5535 -37.5535 -4.8137 -4.8137 -4.7860 -4.7860 0.8992 0.8992 1.1128 1.1128 1.7467 1.7467 2.4803 2.4803 4.4233 4.4233 4.7709 4.7709 7.0113 7.0113 7.0561 7.0561 8.0444 8.0444 8.3190 8.3190 k = 0.3551 0.5397 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8450 -37.8450 -37.8447 -37.8447 -37.5602 -37.5602 -37.5573 -37.5573 -37.5563 -37.5563 -37.5535 -37.5535 -4.8076 -4.8076 -4.7862 -4.7862 0.9169 0.9169 1.1277 1.1277 1.6955 1.6955 2.4479 2.4479 4.4341 4.4341 4.7798 4.7798 7.0321 7.0321 7.0648 7.0648 8.0062 8.0062 8.2908 8.2908 k = 0.3478 0.5522 0.3180 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8450 -37.8450 -37.8447 -37.8447 -37.5602 -37.5602 -37.5573 -37.5573 -37.5564 -37.5564 -37.5535 -37.5535 -4.8019 -4.8019 -4.7873 -4.7873 0.9292 0.9292 1.1407 1.1407 1.6565 1.6565 2.4247 2.4247 4.4421 4.4421 4.7866 4.7866 7.0467 7.0467 7.0695 7.0695 7.9786 7.9786 8.2697 8.2697 k = 0.3406 0.5648 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8447 -37.8447 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7969 -4.7969 -4.7894 -4.7894 0.9361 0.9361 1.1498 1.1498 1.6319 1.6319 2.4109 2.4109 4.4471 4.4471 4.7909 4.7909 7.0562 7.0562 7.0703 7.0703 7.9621 7.9621 8.2569 8.2569 k = 0.3333 0.5774 0.3180 ( 7134 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7930 -4.7930 -4.7924 -4.7924 0.9382 0.9382 1.1531 1.1531 1.6235 1.6235 2.4063 2.4063 4.4488 4.4488 4.7924 4.7924 7.0603 7.0603 7.0690 7.0690 7.9567 7.9567 8.2527 8.2527 k = 0.3333 0.5774 0.3180 ( 7134 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7930 -4.7930 -4.7924 -4.7924 0.9382 0.9382 1.1531 1.1531 1.6235 1.6235 2.4063 2.4063 4.4488 4.4488 4.7924 4.7924 7.0603 7.0603 7.0690 7.0690 7.9567 7.9567 8.2527 8.2527 k = 0.3259 0.5645 0.3180 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8447 -37.8447 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7973 -4.7973 -4.7892 -4.7892 0.9364 0.9364 1.1497 1.1497 1.6320 1.6320 2.4109 2.4109 4.4469 4.4469 4.7907 4.7907 7.0556 7.0556 7.0717 7.0717 7.9620 7.9620 8.2569 8.2569 k = 0.3185 0.5517 0.3180 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8450 -37.8450 -37.8447 -37.8447 -37.5602 -37.5602 -37.5573 -37.5573 -37.5564 -37.5564 -37.5535 -37.5535 -4.8032 -4.8032 -4.7867 -4.7867 0.9319 0.9319 1.1403 1.1403 1.6565 1.6565 2.4243 2.4243 4.4412 4.4412 4.7856 4.7856 7.0458 7.0458 7.0771 7.0771 7.9771 7.9771 8.2688 8.2688 k = 0.3111 0.5389 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8450 -37.8450 -37.8446 -37.8446 -37.5602 -37.5602 -37.5573 -37.5573 -37.5563 -37.5563 -37.5535 -37.5535 -4.8106 -4.8106 -4.7852 -4.7852 0.9262 0.9262 1.1271 1.1271 1.6940 1.6940 2.4459 2.4459 4.4313 4.4313 4.7770 4.7770 7.0343 7.0343 7.0850 7.0850 8.0007 8.0007 8.2873 8.2873 k = 0.3037 0.5260 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8451 -37.8451 -37.8446 -37.8446 -37.5602 -37.5602 -37.5573 -37.5573 -37.5563 -37.5563 -37.5535 -37.5535 -4.8194 -4.8194 -4.7849 -4.7849 0.9204 0.9204 1.1126 1.1126 1.7418 1.7418 2.4749 2.4749 4.4175 4.4175 4.7646 4.7646 7.0227 7.0227 7.0964 7.0964 8.0312 8.0312 8.3112 8.3112 k = 0.2963 0.5132 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8452 -37.8452 -37.8445 -37.8445 -37.5602 -37.5602 -37.5574 -37.5574 -37.5562 -37.5562 -37.5535 -37.5535 -4.8298 -4.8298 -4.7858 -4.7858 0.9157 0.9157 1.0986 1.0986 1.7976 1.7976 2.5106 2.5106 4.3997 4.3997 4.7486 4.7486 7.0123 7.0123 7.1122 7.1122 8.0674 8.0674 8.3393 8.3393 k = 0.2889 0.5004 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8452 -37.8452 -37.8444 -37.8444 -37.5602 -37.5602 -37.5575 -37.5575 -37.5561 -37.5561 -37.5535 -37.5535 -4.8417 -4.8417 -4.7880 -4.7880 0.9131 0.9131 1.0866 1.0866 1.8594 1.8594 2.5524 2.5524 4.3781 4.3781 4.7292 4.7292 7.0040 7.0040 7.1328 7.1328 8.1078 8.1078 8.3704 8.3704 k = 0.2815 0.4875 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8453 -37.8453 -37.8443 -37.8443 -37.5602 -37.5602 -37.5575 -37.5575 -37.5561 -37.5561 -37.5535 -37.5535 -4.8551 -4.8551 -4.7915 -4.7915 0.9134 0.9134 1.0775 1.0775 1.9261 1.9261 2.5995 2.5995 4.3531 4.3531 4.7065 4.7065 6.9984 6.9984 7.1587 7.1587 8.1512 8.1512 8.4036 8.4036 k = 0.2741 0.4747 0.3180 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8443 -37.8443 -37.5601 -37.5601 -37.5576 -37.5576 -37.5560 -37.5560 -37.5535 -37.5535 -4.8700 -4.8700 -4.7964 -4.7964 0.9171 0.9171 1.0721 1.0721 1.9968 1.9968 2.6513 2.6513 4.3251 4.3251 4.6809 4.6809 6.9959 6.9959 7.1899 7.1899 8.1965 8.1965 8.4378 8.4378 k = 0.2667 0.4619 0.3180 ( 7134 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8454 -37.8454 -37.8442 -37.8442 -37.5601 -37.5601 -37.5577 -37.5577 -37.5559 -37.5559 -37.5535 -37.5535 -4.8865 -4.8865 -4.8026 -4.8026 0.9247 0.9247 1.0706 1.0706 2.0706 2.0706 2.7073 2.7073 4.2945 4.2945 4.6528 4.6528 6.9965 6.9965 7.2263 7.2263 8.2426 8.2426 8.4720 8.4720 k = 0.2593 0.4491 0.3180 ( 7142 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8455 -37.8455 -37.8441 -37.8441 -37.5601 -37.5601 -37.5578 -37.5578 -37.5559 -37.5559 -37.5536 -37.5536 -4.9044 -4.9044 -4.8102 -4.8102 0.9366 0.9366 1.0736 1.0736 2.1470 2.1470 2.7670 2.7670 4.2620 4.2620 4.6229 4.6229 7.0001 7.0001 7.2675 7.2675 8.2884 8.2884 8.5053 8.5053 k = 0.2519 0.4362 0.3180 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8441 -37.8441 -37.5601 -37.5601 -37.5578 -37.5578 -37.5558 -37.5558 -37.5536 -37.5536 -4.9236 -4.9236 -4.8191 -4.8191 0.9528 0.9528 1.0811 1.0811 2.2255 2.2255 2.8298 2.8298 4.2282 4.2282 4.5915 4.5915 7.0061 7.0061 7.3132 7.3132 8.3328 8.3328 8.5367 8.5367 k = 0.2444 0.4234 0.3180 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5600 -37.5600 -37.5579 -37.5579 -37.5557 -37.5557 -37.5536 -37.5536 -4.9442 -4.9442 -4.8294 -4.8294 0.9736 0.9736 1.0933 1.0933 2.3057 2.3057 2.8953 2.8953 4.1937 4.1937 4.5595 4.5595 7.0142 7.0142 7.3627 7.3627 8.3745 8.3745 8.5652 8.5652 k = 0.2370 0.4106 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8457 -37.8457 -37.8439 -37.8439 -37.5600 -37.5600 -37.5580 -37.5580 -37.5556 -37.5556 -37.5536 -37.5536 -4.9659 -4.9659 -4.8409 -4.8409 0.9988 0.9988 1.1103 1.1103 2.3870 2.3870 2.9630 2.9630 4.1592 4.1592 4.5275 4.5275 7.0236 7.0236 7.4154 7.4154 8.4122 8.4122 8.5902 8.5902 k = 0.2296 0.3977 0.3180 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8458 -37.8458 -37.8438 -37.8438 -37.5600 -37.5600 -37.5580 -37.5580 -37.5556 -37.5556 -37.5536 -37.5536 -4.9888 -4.9888 -4.8537 -4.8537 1.0284 1.0284 1.1320 1.1320 2.4690 2.4690 3.0325 3.0325 4.1255 4.1255 4.4962 4.4962 7.0339 7.0339 7.4707 7.4707 8.4435 8.4435 8.6120 8.6120 k = 0.2222 0.3849 0.3180 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8459 -37.8459 -37.8437 -37.8437 -37.5600 -37.5600 -37.5581 -37.5581 -37.5555 -37.5555 -37.5536 -37.5536 -5.0126 -5.0126 -4.8675 -4.8675 1.0620 1.0620 1.1584 1.1584 2.5511 2.5511 3.1032 3.1032 4.0935 4.0935 4.4665 4.4665 7.0443 7.0443 7.5275 7.5275 8.4653 8.4653 8.6330 8.6330 k = 0.2148 0.3721 0.3180 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8459 -37.8459 -37.8437 -37.8437 -37.5599 -37.5599 -37.5581 -37.5581 -37.5554 -37.5554 -37.5537 -37.5537 -5.0373 -5.0373 -4.8825 -4.8825 1.0995 1.0995 1.1894 1.1894 2.6329 2.6329 3.1745 3.1745 4.0639 4.0639 4.4390 4.4390 7.0545 7.0545 7.5851 7.5851 8.4742 8.4742 8.6564 8.6564 k = 0.2074 0.3592 0.3180 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8460 -37.8460 -37.8436 -37.8436 -37.5599 -37.5599 -37.5582 -37.5582 -37.5554 -37.5554 -37.5537 -37.5537 -5.0626 -5.0626 -4.8983 -4.8983 1.1404 1.1404 1.2250 1.2250 2.7137 2.7137 3.2457 3.2457 4.0379 4.0379 4.4148 4.4148 7.0639 7.0639 7.6422 7.6422 8.4690 8.4690 8.6840 8.6840 k = 0.2000 0.3464 0.3180 ( 7154 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8461 -37.8461 -37.8435 -37.8435 -37.5599 -37.5599 -37.5583 -37.5583 -37.5553 -37.5553 -37.5537 -37.5537 -5.0886 -5.0886 -4.9150 -4.9150 1.1843 1.1843 1.2649 1.2649 2.7928 2.7928 3.3159 3.3159 4.0167 4.0167 4.3946 4.3946 7.0723 7.0723 7.6979 7.6979 8.4518 8.4518 8.7141 8.7141 k = 0.1926 0.3336 0.3180 ( 7164 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8461 -37.8461 -37.8435 -37.8435 -37.5599 -37.5599 -37.5583 -37.5583 -37.5553 -37.5553 -37.5538 -37.5538 -5.1150 -5.1150 -4.9325 -4.9325 1.2306 1.2306 1.3090 1.3090 2.8696 2.8696 3.3839 3.3839 4.0019 4.0019 4.3793 4.3793 7.0796 7.0796 7.7509 7.7509 8.4258 8.4258 8.7421 8.7421 k = 0.1852 0.3208 0.3180 ( 7164 PWs) bands (ev): -71.3170 -71.3170 -70.9042 -70.9042 -70.9037 -70.9037 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8462 -37.8462 -37.8434 -37.8434 -37.5598 -37.5598 -37.5584 -37.5584 -37.5552 -37.5552 -37.5538 -37.5538 -5.1417 -5.1417 -4.9505 -4.9505 1.2789 1.2789 1.3569 1.3569 2.9433 2.9433 3.4479 3.4479 3.9956 3.9956 4.3698 4.3698 7.0859 7.0859 7.8000 7.8000 8.3939 8.3939 8.7605 8.7605 k = 0.1778 0.3079 0.3180 ( 7164 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9037 -70.9037 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8463 -37.8463 -37.8433 -37.8433 -37.5598 -37.5598 -37.5584 -37.5584 -37.5551 -37.5551 -37.5538 -37.5538 -5.1685 -5.1685 -4.9690 -4.9690 1.3286 1.3286 1.4083 1.4083 3.0134 3.0134 3.5062 3.5062 3.9999 3.9999 4.3669 4.3669 7.0914 7.0914 7.8442 7.8442 8.3581 8.3581 8.7596 8.7596 k = 0.1704 0.2951 0.3180 ( 7166 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2572 -38.2572 -37.9699 -37.9699 -37.9676 -37.9676 -37.8463 -37.8463 -37.8433 -37.8433 -37.5598 -37.5598 -37.5585 -37.5585 -37.5551 -37.5551 -37.5538 -37.5538 -5.1953 -5.1953 -4.9879 -4.9879 1.3792 1.3792 1.4624 1.4624 3.0794 3.0794 3.5567 3.5567 4.0173 4.0173 4.3712 4.3712 7.0966 7.0966 7.8828 7.8828 8.3200 8.3200 8.7344 8.7344 k = 0.1630 0.2823 0.3180 ( 7160 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2572 -38.2572 -37.9699 -37.9699 -37.9676 -37.9676 -37.8464 -37.8464 -37.8432 -37.8432 -37.5598 -37.5598 -37.5585 -37.5585 -37.5550 -37.5550 -37.5538 -37.5538 -5.2220 -5.2220 -5.0071 -5.0071 1.4304 1.4304 1.5187 1.5187 3.1410 3.1410 3.5982 3.5982 4.0491 4.0491 4.3832 4.3832 7.1019 7.1019 7.9152 7.9152 8.2808 8.2808 8.6899 8.6899 k = 0.1556 0.2694 0.3180 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8464 -37.8464 -37.8431 -37.8431 -37.5597 -37.5597 -37.5585 -37.5585 -37.5550 -37.5550 -37.5539 -37.5539 -5.2485 -5.2485 -5.0263 -5.0263 1.4816 1.4816 1.5764 1.5764 3.1984 3.1984 3.6315 3.6315 4.0950 4.0950 4.4029 4.4029 7.1078 7.1078 7.9410 7.9410 8.2417 8.2417 8.6340 8.6340 k = 0.1481 0.2566 0.3180 ( 7156 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2572 -38.2572 -37.9699 -37.9699 -37.9676 -37.9676 -37.8465 -37.8465 -37.8430 -37.8430 -37.5597 -37.5597 -37.5586 -37.5586 -37.5549 -37.5549 -37.5539 -37.5539 -5.2746 -5.2746 -5.0455 -5.0455 1.5322 1.5322 1.6345 1.6345 3.2520 3.2520 3.6588 3.6588 4.1529 4.1529 4.4301 4.4301 7.1151 7.1151 7.9598 7.9598 8.2041 8.2041 8.5725 8.5725 k = 0.1407 0.2438 0.3180 ( 7152 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8465 -37.8465 -37.8430 -37.8430 -37.5597 -37.5597 -37.5586 -37.5586 -37.5549 -37.5549 -37.5539 -37.5539 -5.3001 -5.3001 -5.0646 -5.0646 1.5818 1.5818 1.6923 1.6923 3.3027 3.3027 3.6830 3.6830 4.2199 4.2199 4.4644 4.4644 7.1244 7.1244 7.9699 7.9699 8.1699 8.1699 8.5088 8.5088 k = 0.1333 0.2309 0.3180 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8466 -37.8466 -37.8429 -37.8429 -37.5597 -37.5597 -37.5586 -37.5586 -37.5548 -37.5548 -37.5539 -37.5539 -5.3251 -5.3251 -5.0834 -5.0834 1.6299 1.6299 1.7488 1.7488 3.3517 3.3517 3.7066 3.7066 4.2932 4.2932 4.5050 4.5050 7.1363 7.1363 7.9687 7.9687 8.1418 8.1418 8.4460 8.4460 k = 0.1259 0.2181 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9043 -70.9043 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8466 -37.8466 -37.8428 -37.8428 -37.5596 -37.5596 -37.5587 -37.5587 -37.5548 -37.5548 -37.5539 -37.5539 -5.3492 -5.3492 -5.1019 -5.1019 1.6758 1.6758 1.8033 1.8033 3.4003 3.4003 3.7318 3.7318 4.3708 4.3708 4.5509 4.5509 7.1515 7.1515 7.9536 7.9536 8.1199 8.1199 8.3882 8.3882 k = 0.1185 0.2053 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8466 -37.8466 -37.8428 -37.8428 -37.5596 -37.5596 -37.5587 -37.5587 -37.5547 -37.5547 -37.5539 -37.5539 -5.3726 -5.3726 -5.1199 -5.1199 1.7190 1.7190 1.8550 1.8550 3.4496 3.4496 3.7600 3.7600 4.4509 4.4509 4.6011 4.6011 7.1704 7.1704 7.9251 7.9251 8.0978 8.0978 8.3424 8.3424 k = 0.1111 0.1925 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9036 -70.9036 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8467 -37.8467 -37.8427 -37.8427 -37.5596 -37.5596 -37.5587 -37.5587 -37.5547 -37.5547 -37.5539 -37.5539 -5.3950 -5.3950 -5.1373 -5.1373 1.7592 1.7592 1.9031 1.9031 3.5009 3.5009 3.7919 3.7919 4.5322 4.5322 4.6548 4.6548 7.1935 7.1935 7.8867 7.8867 8.0639 8.0639 8.3179 8.3179 k = 0.1037 0.1796 0.3180 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9676 -37.9676 -37.8467 -37.8467 -37.8427 -37.8427 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4164 -5.4164 -5.1540 -5.1540 1.7959 1.7959 1.9473 1.9473 3.5547 3.5547 3.8280 3.8280 4.6136 4.6136 4.7113 4.7113 7.2206 7.2206 7.8410 7.8410 8.0124 8.0124 8.3180 8.3180 k = 0.0963 0.1668 0.3180 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8426 -37.8426 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4367 -5.4367 -5.1700 -5.1700 1.8291 1.8291 1.9871 1.9871 3.6116 3.6116 3.8683 3.8683 4.6943 4.6943 4.7700 4.7700 7.2513 7.2513 7.7894 7.7894 7.9479 7.9479 8.3379 8.3379 k = 0.0889 0.1540 0.3180 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8426 -37.8426 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4557 -5.4557 -5.1851 -5.1851 1.8584 1.8584 2.0224 2.0224 3.6714 3.6714 3.9125 3.9125 4.7734 4.7734 4.8309 4.8309 7.2838 7.2838 7.7321 7.7321 7.8780 7.8780 8.3714 8.3714 k = 0.0815 0.1411 0.3180 ( 7142 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8468 -37.8468 -37.8425 -37.8425 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4735 -5.4735 -5.1994 -5.1994 1.8841 1.8841 2.0531 2.0531 3.7338 3.7338 3.9600 3.9600 4.8498 4.8498 4.8942 4.8942 7.3137 7.3137 7.6686 7.6686 7.8107 7.8107 8.4143 8.4143 k = 0.0741 0.1283 0.3180 ( 7154 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8425 -37.8425 -37.5596 -37.5596 -37.5587 -37.5587 -37.5546 -37.5546 -37.5540 -37.5540 -5.4900 -5.4900 -5.2126 -5.2126 1.9062 1.9062 2.0795 2.0795 3.7979 3.7979 4.0097 4.0097 4.9227 4.9227 4.9607 4.9607 7.3314 7.3314 7.5999 7.5999 7.7565 7.7565 8.4634 8.4634 k = 0.0667 0.1155 0.3180 ( 7154 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8425 -37.8425 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5050 -5.5050 -5.2247 -5.2247 1.9249 1.9249 2.1018 2.1018 3.8625 3.8625 4.0607 4.0607 4.9916 4.9916 5.0304 5.0304 7.3212 7.3212 7.5273 7.5273 7.7308 7.7308 8.5135 8.5135 k = 0.0593 0.1026 0.3180 ( 7162 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8424 -37.8424 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5187 -5.5187 -5.2357 -5.2357 1.9405 1.9405 2.1203 2.1203 3.9263 3.9263 4.1114 4.1114 5.0577 5.0577 5.1021 5.1021 7.2738 7.2738 7.4509 7.4509 7.7445 7.7445 8.5465 8.5465 k = 0.0519 0.0898 0.3180 ( 7162 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8469 -37.8469 -37.8424 -37.8424 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5308 -5.5308 -5.2456 -5.2456 1.9533 1.9533 2.1355 2.1355 3.9875 3.9875 4.1605 4.1605 5.1222 5.1222 5.1740 5.1740 7.1986 7.1986 7.3691 7.3691 7.7920 7.7920 8.5227 8.5227 k = 0.0444 0.0770 0.3180 ( 7170 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8424 -37.8424 -37.5595 -37.5595 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5414 -5.5414 -5.2542 -5.2542 1.9637 1.9637 2.1477 2.1477 4.0445 4.0445 4.2065 4.2065 5.1855 5.1855 5.2449 5.2449 7.1103 7.1103 7.2829 7.2829 7.8610 7.8610 8.4650 8.4650 k = 0.0370 0.0642 0.3180 ( 7176 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9699 -37.9699 -37.9675 -37.9675 -37.8470 -37.8470 -37.8424 -37.8424 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5504 -5.5504 -5.2616 -5.2616 1.9720 1.9720 2.1573 2.1573 4.0957 4.0957 4.2481 4.2481 5.2468 5.2468 5.3132 5.3132 7.0192 7.0192 7.1957 7.1957 7.9424 7.9424 8.4089 8.4089 k = 0.0296 0.0513 0.3180 ( 7176 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9699 -37.9699 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5596 -37.5596 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5578 -5.5578 -5.2676 -5.2676 1.9783 1.9783 2.1647 2.1647 4.1395 4.1395 4.2839 4.2839 5.3046 5.3046 5.3769 5.3769 6.9322 6.9322 7.1120 7.1120 8.0300 8.0300 8.3627 8.3627 k = 0.0222 0.0385 0.3180 ( 7170 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5588 -37.5588 -37.5545 -37.5545 -37.5540 -37.5540 -5.5636 -5.5636 -5.2724 -5.2724 1.9830 1.9830 2.1702 2.1702 4.1748 4.1748 4.3129 4.3129 5.3561 5.3561 5.4331 5.4331 6.8555 6.8555 7.0375 7.0375 8.1175 8.1175 8.3278 8.3278 k = 0.0148 0.0257 0.3180 ( 7166 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5678 -5.5678 -5.2758 -5.2758 1.9862 1.9862 2.1739 2.1739 4.2006 4.2006 4.3343 4.3343 5.3976 5.3976 5.4780 5.4780 6.7946 6.7946 6.9778 6.9778 8.1955 8.1955 8.3049 8.3049 k = 0.0074 0.0128 0.3180 ( 7166 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5703 -5.5703 -5.2779 -5.2779 1.9880 1.9880 2.1761 2.1761 4.2163 4.2163 4.3474 4.3474 5.4249 5.4249 5.5073 5.5073 6.7553 6.7553 6.9390 6.9390 8.2477 8.2477 8.2969 8.2969 k = 0.0000 0.0000 0.3180 ( 7162 PWs) bands (ev): -71.3170 -71.3170 -70.9044 -70.9044 -70.9035 -70.9035 -38.2571 -38.2571 -37.9698 -37.9698 -37.9675 -37.9675 -37.8470 -37.8470 -37.8423 -37.8423 -37.5595 -37.5595 -37.5587 -37.5587 -37.5545 -37.5545 -37.5540 -37.5540 -5.5711 -5.5711 -5.2785 -5.2785 1.9886 1.9886 2.1768 2.1768 4.2216 4.2216 4.3518 4.3518 5.4344 5.4344 5.5175 5.5175 6.7416 6.7416 6.9255 6.9255 8.2609 8.2609 8.3013 8.3013 k = 0.5000 0.2887 0.3180 ( 7128 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9106 -4.9106 -4.8300 -4.8300 0.5316 0.5316 0.8970 0.8970 3.3809 3.3809 3.4297 3.4297 4.2389 4.2389 4.4116 4.4116 5.9637 5.9637 6.6185 6.6185 7.2352 7.2352 7.7757 7.7757 k = 0.5000 0.2887 0.3035 ( 7124 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9121 -4.9121 -4.8285 -4.8285 0.5319 0.5319 0.8999 0.8999 3.3474 3.3474 3.4586 3.4586 4.2151 4.2151 4.4369 4.4369 5.9443 5.9443 6.6305 6.6305 7.2400 7.2400 7.7914 7.7914 k = 0.5000 0.2887 0.2891 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9163 -4.9163 -4.8245 -4.8245 0.5329 0.5329 0.9087 0.9087 3.2940 3.2940 3.4980 3.4980 4.1664 4.1664 4.4903 4.4903 5.8935 5.8935 6.6573 6.6573 7.2589 7.2589 7.8363 7.8363 k = 0.5000 0.2887 0.2746 ( 7116 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5598 -37.5598 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9224 -4.9224 -4.8186 -4.8186 0.5347 0.5347 0.9229 0.9229 3.2356 3.2356 3.5322 3.5322 4.1142 4.1142 4.5496 4.5496 5.8262 5.8262 6.6809 6.6809 7.3012 7.3012 7.9053 7.9053 k = 0.5000 0.2887 0.2602 ( 7108 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2571 -38.2571 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5598 -37.5598 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9298 -4.9298 -4.8114 -4.8114 0.5375 0.5375 0.9423 0.9423 3.1740 3.1740 3.5580 3.5580 4.0662 4.0662 4.6057 4.6057 5.7560 5.7560 6.6894 6.6894 7.3724 7.3724 7.9931 7.9931 k = 0.5000 0.2887 0.2457 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9380 -4.9380 -4.8036 -4.8036 0.5417 0.5417 0.9664 0.9664 3.1099 3.1099 3.5734 3.5734 4.0257 4.0257 4.6534 4.6534 5.6933 5.6933 6.6822 6.6822 7.4696 7.4696 8.0959 8.0959 k = 0.5000 0.2887 0.2313 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9466 -4.9466 -4.7955 -4.7955 0.5475 0.5475 0.9946 0.9946 3.0441 3.0441 3.5772 3.5772 3.9939 3.9939 4.6883 4.6883 5.6461 5.6461 6.6648 6.6648 7.5850 7.5850 8.2107 8.2107 k = 0.5000 0.2887 0.2168 ( 7132 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9553 -4.9553 -4.7873 -4.7873 0.5549 0.5549 1.0264 1.0264 2.9771 2.9771 3.5697 3.5697 3.9694 3.9694 4.7080 4.7080 5.6193 5.6193 6.6433 6.6433 7.7107 7.7107 8.3355 8.3355 k = 0.5000 0.2887 0.2023 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9639 -4.9639 -4.7793 -4.7793 0.5643 0.5643 1.0612 1.0612 2.9098 2.9098 3.5528 3.5528 3.9482 3.9482 4.7133 4.7133 5.6142 5.6142 6.6227 6.6227 7.8397 7.8397 8.4686 8.4686 k = 0.5000 0.2887 0.1879 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9724 -4.9724 -4.7715 -4.7715 0.5755 0.5755 1.0983 1.0983 2.8428 2.8428 3.5297 3.5297 3.9256 3.9256 4.7085 4.7085 5.6281 5.6281 6.6066 6.6066 7.9656 7.9656 8.6080 8.6080 k = 0.5000 0.2887 0.1734 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9805 -4.9805 -4.7640 -4.7640 0.5886 0.5886 1.1371 1.1371 2.7772 2.7772 3.5031 3.5031 3.8971 3.8971 4.6998 4.6998 5.6554 5.6554 6.5981 6.5981 8.0811 8.0811 8.7479 8.7479 k = 0.5000 0.2887 0.1590 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9883 -4.9883 -4.7569 -4.7569 0.6034 0.6034 1.1768 1.1768 2.7138 2.7138 3.4752 3.4752 3.8600 3.8600 4.6926 4.6926 5.6895 5.6895 6.5997 6.5997 8.1773 8.1773 8.8540 8.8540 k = 0.5000 0.2887 0.1445 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -4.9955 -4.9955 -4.7503 -4.7503 0.6197 0.6197 1.2167 1.2167 2.6537 2.6537 3.4473 3.4473 3.8140 3.8140 4.6903 4.6903 5.7249 5.7249 6.6135 6.6135 8.2441 8.2441 8.8332 8.8332 k = 0.5000 0.2887 0.1301 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0023 -5.0023 -4.7441 -4.7441 0.6373 0.6373 1.2558 1.2558 2.5978 2.5978 3.4203 3.4203 3.7602 3.7602 4.6939 4.6939 5.7574 5.7574 6.6408 6.6408 8.2736 8.2736 8.7624 8.7624 k = 0.5000 0.2887 0.1156 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0085 -5.0085 -4.7386 -4.7386 0.6557 0.6557 1.2931 1.2931 2.5472 2.5472 3.3945 3.3945 3.7016 3.7016 4.7027 4.7027 5.7845 5.7845 6.6820 6.6820 8.2647 8.2647 8.6865 8.6865 k = 0.5000 0.2887 0.1012 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0141 -5.0141 -4.7336 -4.7336 0.6745 0.6745 1.3277 1.3277 2.5029 2.5029 3.3700 3.3700 3.6412 3.6412 4.7153 4.7153 5.8052 5.8052 6.7361 6.7361 8.2239 8.2239 8.6119 8.6119 k = 0.5000 0.2887 0.0867 ( 7152 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0190 -5.0190 -4.7293 -4.7293 0.6930 0.6930 1.3586 1.3586 2.4656 2.4656 3.3466 3.3466 3.5826 3.5826 4.7299 4.7299 5.8200 5.8200 6.8012 6.8012 8.1604 8.1604 8.5422 8.5422 k = 0.5000 0.2887 0.0723 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0231 -5.0231 -4.7255 -4.7255 0.7106 0.7106 1.3851 1.3851 2.4358 2.4358 3.3240 3.3240 3.5291 3.5291 4.7449 4.7449 5.8298 5.8298 6.8744 6.8744 8.0826 8.0826 8.4804 8.4804 k = 0.5000 0.2887 0.0578 ( 7136 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0266 -5.0266 -4.7225 -4.7225 0.7265 0.7265 1.4065 1.4065 2.4133 2.4133 3.3021 3.3021 3.4838 3.4838 4.7590 4.7590 5.8359 5.8359 6.9524 6.9524 7.9976 7.9976 8.4285 8.4285 k = 0.5000 0.2887 0.0434 ( 7144 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0293 -5.0293 -4.7201 -4.7201 0.7399 0.7399 1.4226 1.4226 2.3977 2.3977 3.2813 3.2813 3.4486 3.4486 4.7711 4.7711 5.8394 5.8394 7.0302 7.0302 7.9125 7.9125 8.3875 8.3875 k = 0.5000 0.2887 0.0289 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0313 -5.0313 -4.7184 -4.7184 0.7502 0.7502 1.4338 1.4338 2.3879 2.3879 3.2635 3.2635 3.4245 3.4245 4.7803 4.7803 5.8413 5.8413 7.1009 7.1009 7.8356 7.8356 8.3581 8.3581 k = 0.5000 0.2887 0.0145 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0325 -5.0325 -4.7173 -4.7173 0.7566 0.7566 1.4403 1.4403 2.3827 2.3827 3.2512 3.2512 3.4106 3.4106 4.7861 4.7861 5.8421 5.8421 7.1536 7.1536 7.7791 7.7791 8.3404 8.3404 k = 0.5000 0.2887-0.0000 ( 7148 PWs) bands (ev): -71.3170 -71.3170 -70.9041 -70.9041 -70.9038 -70.9038 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8456 -37.8456 -37.8440 -37.8440 -37.5599 -37.5599 -37.5583 -37.5583 -37.5554 -37.5554 -37.5537 -37.5537 -5.0329 -5.0329 -4.7170 -4.7170 0.7588 0.7588 1.4424 1.4424 2.3810 2.3810 3.2468 3.2468 3.4061 3.4061 4.7880 4.7880 5.8424 5.8424 7.1737 7.1737 7.7575 7.7575 8.3345 8.3345 k = 0.3333 0.5774-0.0000 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8054 -4.8054 -4.8035 -4.8035 1.0616 1.0616 1.4314 1.4314 2.2140 2.2140 2.7285 2.7285 3.0741 3.0741 3.4354 3.4354 5.8064 5.8064 9.2980 9.2980 9.4229 9.4229 10.0471 10.0471 k = 0.3333 0.5774 0.0145 ( 7113 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8053 -4.8053 -4.8035 -4.8035 1.0623 1.0623 1.4276 1.4276 2.2034 2.2034 2.7376 2.7376 3.0810 3.0810 3.4363 3.4363 5.8136 5.8136 9.2845 9.2845 9.4143 9.4143 10.0368 10.0368 k = 0.3333 0.5774 0.0289 ( 7125 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8051 -4.8051 -4.8033 -4.8033 1.0645 1.0645 1.4165 1.4165 2.1743 2.1743 2.7613 2.7613 3.1013 3.1013 3.4397 3.4397 5.8349 5.8349 9.2441 9.2441 9.3872 9.3872 10.0058 10.0058 k = 0.3333 0.5774 0.0434 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8048 -4.8048 -4.8030 -4.8030 1.0680 1.0680 1.3987 1.3987 2.1324 2.1324 2.7922 2.7922 3.1344 3.1344 3.4481 3.4481 5.8700 5.8700 9.1778 9.1778 9.3384 9.3384 9.9581 9.9581 k = 0.3333 0.5774 0.0578 ( 7143 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8044 -4.8044 -4.8027 -4.8027 1.0728 1.0728 1.3752 1.3752 2.0832 2.0832 2.8218 2.8218 3.1792 3.1792 3.4650 3.4650 5.9181 5.9181 9.0878 9.0878 9.2644 9.2644 9.9036 9.9036 k = 0.3333 0.5774 0.0723 ( 7152 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8039 -4.8039 -4.8022 -4.8022 1.0788 1.0788 1.3472 1.3472 2.0306 2.0306 2.8432 2.8432 3.2346 3.2346 3.4942 3.4942 5.9783 5.9783 8.9778 8.9778 9.1646 9.1646 9.8522 9.8522 k = 0.3333 0.5774 0.0867 ( 7164 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9040 -70.9040 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8032 -4.8032 -4.8016 -4.8016 1.0859 1.0859 1.3157 1.3157 1.9775 1.9775 2.8520 2.8520 3.2991 3.2991 3.5385 3.5385 6.0496 6.0496 8.8521 8.8521 9.0421 9.0421 9.8073 9.8073 k = 0.3333 0.5774 0.1012 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8025 -4.8025 -4.8010 -4.8010 1.0938 1.0938 1.2818 1.2818 1.9255 1.9255 2.8470 2.8470 3.3714 3.3714 3.5982 3.5982 6.1311 6.1311 8.7152 8.7152 8.9027 8.9027 9.7674 9.7674 k = 0.3333 0.5774 0.1156 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8018 -4.8018 -4.8003 -4.8003 1.1023 1.1023 1.2467 1.2467 1.8758 1.8758 2.8297 2.8297 3.4503 3.4503 3.6714 3.6714 6.2216 6.2216 8.5707 8.5707 8.7521 8.7521 9.7280 9.7280 k = 0.3333 0.5774 0.1301 ( 7149 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8009 -4.8009 -4.7996 -4.7996 1.1111 1.1111 1.2112 1.2112 1.8295 1.8295 2.8027 2.8027 3.5345 3.5345 3.7556 3.7556 6.3203 6.3203 8.4220 8.4220 8.5949 8.5949 9.6846 9.6846 k = 0.3333 0.5774 0.1445 ( 7149 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.8001 -4.8001 -4.7988 -4.7988 1.1199 1.1199 1.1761 1.1761 1.7871 1.7871 2.7687 2.7687 3.6227 3.6227 3.8480 3.8480 6.4263 6.4263 8.2716 8.2716 8.4346 8.4346 9.6323 9.6323 k = 0.3333 0.5774 0.1590 ( 7149 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7992 -4.7992 -4.7980 -4.7980 1.1284 1.1284 1.1420 1.1420 1.7493 1.7493 2.7302 2.7302 3.7138 3.7138 3.9461 3.9461 6.5387 6.5387 8.1216 8.1216 8.2741 8.2741 9.5670 9.5670 k = 0.3333 0.5774 0.1734 ( 7134 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7983 -4.7983 -4.7972 -4.7972 1.1094 1.1094 1.1361 1.1361 1.7166 1.7166 2.6890 2.6890 3.8066 3.8066 4.0478 4.0478 6.6567 6.6567 7.9739 7.9739 8.1157 8.1157 9.4862 9.4862 k = 0.3333 0.5774 0.1879 ( 7143 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7974 -4.7974 -4.7964 -4.7964 1.0788 1.0788 1.1428 1.1428 1.6890 1.6890 2.6469 2.6469 3.8997 3.8997 4.1514 4.1514 6.7794 6.7794 7.8304 7.8304 7.9614 7.9614 9.3891 9.3891 k = 0.3333 0.5774 0.2023 ( 7146 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7966 -4.7966 -4.7957 -4.7957 1.0507 1.0507 1.1480 1.1480 1.6669 1.6669 2.6050 2.6050 3.9917 3.9917 4.2550 4.2550 6.9057 6.9057 7.6927 7.6927 7.8137 7.8137 9.2769 9.2769 k = 0.3333 0.5774 0.2168 ( 7158 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9040 -70.9040 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7958 -4.7958 -4.7950 -4.7950 1.0252 1.0252 1.1518 1.1518 1.6501 1.6501 2.5647 2.5647 4.0809 4.0809 4.3566 4.3566 7.0335 7.0335 7.5629 7.5629 7.6759 7.6759 9.1522 9.1522 k = 0.3333 0.5774 0.2313 ( 7164 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9040 -70.9040 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7951 -4.7951 -4.7943 -4.7943 1.0026 1.0026 1.1541 1.1541 1.6381 1.6381 2.5269 2.5269 4.1655 4.1655 4.4541 4.4541 7.1575 7.1575 7.4428 7.4428 7.5550 7.5550 9.0180 9.0180 k = 0.3333 0.5774 0.2457 ( 7158 PWs) bands (ev): -71.3170 -71.3170 -70.9040 -70.9040 -70.9040 -70.9040 -38.2572 -38.2572 -37.9699 -37.9699 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7945 -4.7945 -4.7937 -4.7937 0.9833 0.9833 1.1551 1.1551 1.6303 1.6303 2.4928 2.4928 4.2434 4.2434 4.5451 4.5451 7.2519 7.2519 7.3347 7.3347 7.4787 7.4787 8.8773 8.8773 k = 0.3333 0.5774 0.2602 ( 7149 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7940 -4.7940 -4.7933 -4.7933 0.9672 0.9672 1.1552 1.1552 1.6260 1.6260 2.4632 2.4632 4.3123 4.3123 4.6267 4.6267 7.2411 7.2411 7.2439 7.2439 7.5217 7.5217 8.7328 8.7328 k = 0.3333 0.5774 0.2746 ( 7143 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7935 -4.7935 -4.7929 -4.7929 0.9546 0.9546 1.1546 1.1546 1.6240 1.6240 2.4390 2.4390 4.3696 4.3696 4.6954 4.6954 7.1645 7.1645 7.1794 7.1794 7.6399 7.6399 8.5873 8.5873 k = 0.3333 0.5774 0.2891 ( 7149 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7932 -4.7932 -4.7926 -4.7926 0.9455 0.9455 1.1539 1.1539 1.6234 1.6234 2.4211 2.4211 4.4128 4.4128 4.7480 4.7480 7.1074 7.1074 7.1207 7.1207 7.7712 7.7712 8.4450 8.4450 k = 0.3333 0.5774 0.3035 ( 7140 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7930 -4.7930 -4.7924 -4.7924 0.9400 0.9400 1.1533 1.1533 1.6234 1.6234 2.4100 2.4100 4.4397 4.4397 4.7811 4.7811 7.0722 7.0722 7.0823 7.0823 7.8933 7.8933 8.3177 8.3177 k = 0.3333 0.5774 0.3180 ( 7134 PWs) bands (ev): -71.3170 -71.3170 -70.9039 -70.9039 -70.9039 -70.9039 -38.2572 -38.2572 -37.9698 -37.9698 -37.9677 -37.9677 -37.8449 -37.8449 -37.8448 -37.8448 -37.5602 -37.5602 -37.5572 -37.5572 -37.5564 -37.5564 -37.5535 -37.5535 -4.7930 -4.7930 -4.7924 -4.7924 0.9382 0.9382 1.1531 1.1531 1.6235 1.6235 2.4063 2.4063 4.4488 4.4488 4.7924 4.7924 7.0603 7.0603 7.0690 7.0690 7.9567 7.9567 8.2527 8.2527 Writing output data file Mg3Bi2.save init_run : 0.34s CPU 0.56s WALL ( 1 calls) electrons : 289.17s CPU 304.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 289.17s CPU 304.58s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 289 calls) cegterg : 274.36s CPU 288.61s WALL ( 624 calls) Called by sum_band: Called by *egterg: h_psi : 182.79s CPU 200.06s WALL ( 10717 calls) s_psi : 4.04s CPU 4.08s WALL ( 10717 calls) g_psi : 0.53s CPU 0.53s WALL ( 9804 calls) cdiaghg : 60.65s CPU 57.12s WALL ( 10093 calls) cegterg:over : 15.40s CPU 14.70s WALL ( 9804 calls) cegterg:upda : 6.20s CPU 9.34s WALL ( 9804 calls) cegterg:last : 5.45s CPU 6.12s WALL ( 1491 calls) Called by h_psi: h_psi:vloc : 172.02s CPU 188.85s WALL ( 10717 calls) h_psi:vnl : 10.62s CPU 10.88s WALL ( 10717 calls) add_vuspsi : 3.81s CPU 4.38s WALL ( 10717 calls) General routines calbec : 6.79s CPU 6.48s WALL ( 10717 calls) fft : 0.05s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 163.30s CPU 179.40s WALL ( 834520 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.05s CPU 0.17s WALL ( 578 calls) Parallel routines fft_scatter : 93.39s CPU 102.31s WALL ( 834543 calls) PWSCF : 5m14.83s CPU 5m38.71s WALL This run was terminated on: 14:38:10 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=