Program PWSCF v.5.1.1 starts on 7Oct2015 at 15: 1:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiNiN.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 29 29 8 855 855 130 Max 30 30 9 860 860 135 Sum 1417 1417 421 41143 41143 6371 bravais-lattice index = 14 lattice parameter (alat) = 7.1016 a.u. unit-cell volume = 292.1756 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.101590 celldm(2)= 1.000000 celldm(3)= 0.941990 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 0.941990 ) 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 1.061582 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Li 3.00 6.94100 Li( 1.00) Ni 10.00 58.69340 Ni( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops. (no 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 [0,1,0] 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 [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 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 [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] 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. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 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. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 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_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 410 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0024390 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0024390 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0024390 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0024390 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0024390 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0024390 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0024390 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0024390 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0024390 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0024390 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0024390 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0024390 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0024390 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0024390 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0024390 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0024390 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0024390 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0024390 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0024390 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0024390 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0024390 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0024390 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0024390 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0024390 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0024390 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0024390 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0024390 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0024390 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0024390 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0024390 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0024390 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0024390 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0024390 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0024390 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0024390 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0024390 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0024390 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0024390 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0024390 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0024390 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0024390 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0024390 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0024390 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0024390 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0024390 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0024390 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0024390 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0024390 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024390 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024390 k( 52) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0024390 k( 53) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0024390 k( 54) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0024390 k( 55) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0024390 k( 56) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0024390 k( 57) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0024390 k( 58) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0024390 k( 59) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0024390 k( 60) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0024390 k( 61) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0024390 k( 62) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0024390 k( 63) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0024390 k( 64) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0024390 k( 65) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0024390 k( 66) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0024390 k( 67) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0024390 k( 68) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0024390 k( 69) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0024390 k( 70) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0024390 k( 71) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0024390 k( 72) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0024390 k( 73) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0024390 k( 74) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0024390 k( 75) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0024390 k( 76) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0024390 k( 77) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0024390 k( 78) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0024390 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024390 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024390 k( 81) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0024390 k( 82) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0024390 k( 83) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0024390 k( 84) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0024390 k( 85) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0024390 k( 86) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0024390 k( 87) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0024390 k( 88) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0024390 k( 89) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0024390 k( 90) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0024390 k( 91) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0024390 k( 92) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0024390 k( 93) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0024390 k( 94) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0024390 k( 95) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0024390 k( 96) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0024390 k( 97) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0024390 k( 98) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0024390 k( 99) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0024390 k( 100) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0024390 k( 101) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0024390 k( 102) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0024390 k( 103) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0024390 k( 104) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0024390 k( 105) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0024390 k( 106) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0024390 k( 107) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0024390 k( 108) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0024390 k( 109) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0024390 k( 110) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0024390 k( 111) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0024390 k( 112) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0024390 k( 113) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0024390 k( 114) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0024390 k( 115) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0024390 k( 116) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0024390 k( 117) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0024390 k( 118) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0024390 k( 119) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0024390 k( 120) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0024390 k( 121) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0024390 k( 122) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0024390 k( 123) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0024390 k( 124) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0024390 k( 125) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0024390 k( 126) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0024390 k( 127) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0024390 k( 128) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0024390 k( 129) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0024390 k( 130) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0024390 k( 131) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0024390 k( 132) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0024390 k( 133) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0024390 k( 134) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0024390 k( 135) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0024390 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 138) = ( 0.0000000 0.0000000 0.0117954), wk = 0.0024390 k( 139) = ( 0.0000000 0.0000000 0.0235907), wk = 0.0024390 k( 140) = ( 0.0000000 0.0000000 0.0353861), wk = 0.0024390 k( 141) = ( 0.0000000 0.0000000 0.0471814), wk = 0.0024390 k( 142) = ( 0.0000000 0.0000000 0.0589768), wk = 0.0024390 k( 143) = ( 0.0000000 0.0000000 0.0707721), wk = 0.0024390 k( 144) = ( 0.0000000 0.0000000 0.0825675), wk = 0.0024390 k( 145) = ( 0.0000000 0.0000000 0.0943628), wk = 0.0024390 k( 146) = ( 0.0000000 0.0000000 0.1061582), wk = 0.0024390 k( 147) = ( 0.0000000 0.0000000 0.1179535), wk = 0.0024390 k( 148) = ( 0.0000000 0.0000000 0.1297489), wk = 0.0024390 k( 149) = ( 0.0000000 0.0000000 0.1415443), wk = 0.0024390 k( 150) = ( 0.0000000 0.0000000 0.1533396), wk = 0.0024390 k( 151) = ( 0.0000000 0.0000000 0.1651350), wk = 0.0024390 k( 152) = ( 0.0000000 0.0000000 0.1769303), wk = 0.0024390 k( 153) = ( 0.0000000 0.0000000 0.1887257), wk = 0.0024390 k( 154) = ( 0.0000000 0.0000000 0.2005210), wk = 0.0024390 k( 155) = ( 0.0000000 0.0000000 0.2123164), wk = 0.0024390 k( 156) = ( 0.0000000 0.0000000 0.2241117), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 0.2359071), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 0.2477024), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.2594978), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.2712932), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.2830885), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.2948839), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.3066792), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.3184746), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.3302699), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.3420653), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.3538606), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.3656560), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.3774514), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.3892467), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.4010421), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.4128374), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.4246328), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.4364281), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.4482235), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.4600188), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.4718142), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.4836095), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.4954049), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.5072003), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.5189956), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.5307910), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.5307910), wk = 0.0024390 k( 184) = ( 0.0102041 0.0058913 0.5307910), wk = 0.0024390 k( 185) = ( 0.0204082 0.0117827 0.5307910), wk = 0.0024390 k( 186) = ( 0.0306122 0.0176740 0.5307910), wk = 0.0024390 k( 187) = ( 0.0408163 0.0235653 0.5307910), wk = 0.0024390 k( 188) = ( 0.0510204 0.0294566 0.5307910), wk = 0.0024390 k( 189) = ( 0.0612245 0.0353480 0.5307910), wk = 0.0024390 k( 190) = ( 0.0714286 0.0412393 0.5307910), wk = 0.0024390 k( 191) = ( 0.0816327 0.0471306 0.5307910), wk = 0.0024390 k( 192) = ( 0.0918367 0.0530220 0.5307910), wk = 0.0024390 k( 193) = ( 0.1020408 0.0589133 0.5307910), wk = 0.0024390 k( 194) = ( 0.1122449 0.0648046 0.5307910), wk = 0.0024390 k( 195) = ( 0.1224490 0.0706960 0.5307910), wk = 0.0024390 k( 196) = ( 0.1326531 0.0765873 0.5307910), wk = 0.0024390 k( 197) = ( 0.1428571 0.0824786 0.5307910), wk = 0.0024390 k( 198) = ( 0.1530612 0.0883699 0.5307910), wk = 0.0024390 k( 199) = ( 0.1632653 0.0942613 0.5307910), wk = 0.0024390 k( 200) = ( 0.1734694 0.1001526 0.5307910), wk = 0.0024390 k( 201) = ( 0.1836735 0.1060439 0.5307910), wk = 0.0024390 k( 202) = ( 0.1938776 0.1119353 0.5307910), wk = 0.0024390 k( 203) = ( 0.2040816 0.1178266 0.5307910), wk = 0.0024390 k( 204) = ( 0.2142857 0.1237179 0.5307910), wk = 0.0024390 k( 205) = ( 0.2244898 0.1296092 0.5307910), wk = 0.0024390 k( 206) = ( 0.2346939 0.1355006 0.5307910), wk = 0.0024390 k( 207) = ( 0.2448980 0.1413919 0.5307910), wk = 0.0024390 k( 208) = ( 0.2551020 0.1472832 0.5307910), wk = 0.0024390 k( 209) = ( 0.2653061 0.1531746 0.5307910), wk = 0.0024390 k( 210) = ( 0.2755102 0.1590659 0.5307910), wk = 0.0024390 k( 211) = ( 0.2857143 0.1649572 0.5307910), wk = 0.0024390 k( 212) = ( 0.2959184 0.1708486 0.5307910), wk = 0.0024390 k( 213) = ( 0.3061224 0.1767399 0.5307910), wk = 0.0024390 k( 214) = ( 0.3163265 0.1826312 0.5307910), wk = 0.0024390 k( 215) = ( 0.3265306 0.1885225 0.5307910), wk = 0.0024390 k( 216) = ( 0.3367347 0.1944139 0.5307910), wk = 0.0024390 k( 217) = ( 0.3469388 0.2003052 0.5307910), wk = 0.0024390 k( 218) = ( 0.3571429 0.2061965 0.5307910), wk = 0.0024390 k( 219) = ( 0.3673469 0.2120879 0.5307910), wk = 0.0024390 k( 220) = ( 0.3775510 0.2179792 0.5307910), wk = 0.0024390 k( 221) = ( 0.3877551 0.2238705 0.5307910), wk = 0.0024390 k( 222) = ( 0.3979592 0.2297618 0.5307910), wk = 0.0024390 k( 223) = ( 0.4081633 0.2356532 0.5307910), wk = 0.0024390 k( 224) = ( 0.4183674 0.2415445 0.5307910), wk = 0.0024390 k( 225) = ( 0.4285714 0.2474358 0.5307910), wk = 0.0024390 k( 226) = ( 0.4387755 0.2533272 0.5307910), wk = 0.0024390 k( 227) = ( 0.4489796 0.2592185 0.5307910), wk = 0.0024390 k( 228) = ( 0.4591837 0.2651098 0.5307910), wk = 0.0024390 k( 229) = ( 0.4693878 0.2710011 0.5307910), wk = 0.0024390 k( 230) = ( 0.4795918 0.2768925 0.5307910), wk = 0.0024390 k( 231) = ( 0.4897959 0.2827838 0.5307910), wk = 0.0024390 k( 232) = ( 0.5000000 0.2886751 0.5307910), wk = 0.0024390 k( 233) = ( 0.5000000 0.2886751 0.5307910), wk = 0.0024390 k( 234) = ( 0.4940476 0.2989850 0.5307910), wk = 0.0024390 k( 235) = ( 0.4880952 0.3092948 0.5307910), wk = 0.0024390 k( 236) = ( 0.4821429 0.3196046 0.5307910), wk = 0.0024390 k( 237) = ( 0.4761905 0.3299144 0.5307910), wk = 0.0024390 k( 238) = ( 0.4702381 0.3402243 0.5307910), wk = 0.0024390 k( 239) = ( 0.4642857 0.3505341 0.5307910), wk = 0.0024390 k( 240) = ( 0.4583333 0.3608439 0.5307910), wk = 0.0024390 k( 241) = ( 0.4523810 0.3711537 0.5307910), wk = 0.0024390 k( 242) = ( 0.4464286 0.3814636 0.5307910), wk = 0.0024390 k( 243) = ( 0.4404762 0.3917734 0.5307910), wk = 0.0024390 k( 244) = ( 0.4345238 0.4020832 0.5307910), wk = 0.0024390 k( 245) = ( 0.4285714 0.4123930 0.5307910), wk = 0.0024390 k( 246) = ( 0.4226190 0.4227029 0.5307910), wk = 0.0024390 k( 247) = ( 0.4166667 0.4330127 0.5307910), wk = 0.0024390 k( 248) = ( 0.4107143 0.4433225 0.5307910), wk = 0.0024390 k( 249) = ( 0.4047619 0.4536324 0.5307910), wk = 0.0024390 k( 250) = ( 0.3988095 0.4639422 0.5307910), wk = 0.0024390 k( 251) = ( 0.3928571 0.4742520 0.5307910), wk = 0.0024390 k( 252) = ( 0.3869048 0.4845618 0.5307910), wk = 0.0024390 k( 253) = ( 0.3809524 0.4948717 0.5307910), wk = 0.0024390 k( 254) = ( 0.3750000 0.5051815 0.5307910), wk = 0.0024390 k( 255) = ( 0.3690476 0.5154913 0.5307910), wk = 0.0024390 k( 256) = ( 0.3630952 0.5258011 0.5307910), wk = 0.0024390 k( 257) = ( 0.3571429 0.5361110 0.5307910), wk = 0.0024390 k( 258) = ( 0.3511905 0.5464208 0.5307910), wk = 0.0024390 k( 259) = ( 0.3452381 0.5567306 0.5307910), wk = 0.0024390 k( 260) = ( 0.3392857 0.5670404 0.5307910), wk = 0.0024390 k( 261) = ( 0.3333333 0.5773503 0.5307910), wk = 0.0024390 k( 262) = ( 0.3333333 0.5773503 0.5307910), wk = 0.0024390 k( 263) = ( 0.3273810 0.5670404 0.5307910), wk = 0.0024390 k( 264) = ( 0.3214286 0.5567306 0.5307910), wk = 0.0024390 k( 265) = ( 0.3154762 0.5464208 0.5307910), wk = 0.0024390 k( 266) = ( 0.3095238 0.5361110 0.5307910), wk = 0.0024390 k( 267) = ( 0.3035714 0.5258011 0.5307910), wk = 0.0024390 k( 268) = ( 0.2976190 0.5154913 0.5307910), wk = 0.0024390 k( 269) = ( 0.2916667 0.5051815 0.5307910), wk = 0.0024390 k( 270) = ( 0.2857143 0.4948717 0.5307910), wk = 0.0024390 k( 271) = ( 0.2797619 0.4845618 0.5307910), wk = 0.0024390 k( 272) = ( 0.2738095 0.4742520 0.5307910), wk = 0.0024390 k( 273) = ( 0.2678571 0.4639422 0.5307910), wk = 0.0024390 k( 274) = ( 0.2619048 0.4536324 0.5307910), wk = 0.0024390 k( 275) = ( 0.2559524 0.4433225 0.5307910), wk = 0.0024390 k( 276) = ( 0.2500000 0.4330127 0.5307910), wk = 0.0024390 k( 277) = ( 0.2440476 0.4227029 0.5307910), wk = 0.0024390 k( 278) = ( 0.2380952 0.4123931 0.5307910), wk = 0.0024390 k( 279) = ( 0.2321429 0.4020832 0.5307910), wk = 0.0024390 k( 280) = ( 0.2261905 0.3917734 0.5307910), wk = 0.0024390 k( 281) = ( 0.2202381 0.3814636 0.5307910), wk = 0.0024390 k( 282) = ( 0.2142857 0.3711537 0.5307910), wk = 0.0024390 k( 283) = ( 0.2083333 0.3608439 0.5307910), wk = 0.0024390 k( 284) = ( 0.2023810 0.3505341 0.5307910), wk = 0.0024390 k( 285) = ( 0.1964286 0.3402243 0.5307910), wk = 0.0024390 k( 286) = ( 0.1904762 0.3299144 0.5307910), wk = 0.0024390 k( 287) = ( 0.1845238 0.3196046 0.5307910), wk = 0.0024390 k( 288) = ( 0.1785714 0.3092948 0.5307910), wk = 0.0024390 k( 289) = ( 0.1726190 0.2989850 0.5307910), wk = 0.0024390 k( 290) = ( 0.1666667 0.2886751 0.5307910), wk = 0.0024390 k( 291) = ( 0.1607143 0.2783653 0.5307910), wk = 0.0024390 k( 292) = ( 0.1547619 0.2680555 0.5307910), wk = 0.0024390 k( 293) = ( 0.1488095 0.2577456 0.5307910), wk = 0.0024390 k( 294) = ( 0.1428571 0.2474358 0.5307910), wk = 0.0024390 k( 295) = ( 0.1369048 0.2371260 0.5307910), wk = 0.0024390 k( 296) = ( 0.1309524 0.2268162 0.5307910), wk = 0.0024390 k( 297) = ( 0.1250000 0.2165064 0.5307910), wk = 0.0024390 k( 298) = ( 0.1190476 0.2061965 0.5307910), wk = 0.0024390 k( 299) = ( 0.1130952 0.1958867 0.5307910), wk = 0.0024390 k( 300) = ( 0.1071429 0.1855769 0.5307910), wk = 0.0024390 k( 301) = ( 0.1011905 0.1752671 0.5307910), wk = 0.0024390 k( 302) = ( 0.0952381 0.1649572 0.5307910), wk = 0.0024390 k( 303) = ( 0.0892857 0.1546474 0.5307910), wk = 0.0024390 k( 304) = ( 0.0833333 0.1443376 0.5307910), wk = 0.0024390 k( 305) = ( 0.0773810 0.1340277 0.5307910), wk = 0.0024390 k( 306) = ( 0.0714286 0.1237179 0.5307910), wk = 0.0024390 k( 307) = ( 0.0654762 0.1134081 0.5307910), wk = 0.0024390 k( 308) = ( 0.0595238 0.1030983 0.5307910), wk = 0.0024390 k( 309) = ( 0.0535714 0.0927884 0.5307910), wk = 0.0024390 k( 310) = ( 0.0476191 0.0824786 0.5307910), wk = 0.0024390 k( 311) = ( 0.0416667 0.0721688 0.5307910), wk = 0.0024390 k( 312) = ( 0.0357143 0.0618590 0.5307910), wk = 0.0024390 k( 313) = ( 0.0297619 0.0515491 0.5307910), wk = 0.0024390 k( 314) = ( 0.0238095 0.0412393 0.5307910), wk = 0.0024390 k( 315) = ( 0.0178571 0.0309295 0.5307910), wk = 0.0024390 k( 316) = ( 0.0119048 0.0206196 0.5307910), wk = 0.0024390 k( 317) = ( 0.0059524 0.0103098 0.5307910), wk = 0.0024390 k( 318) = ( 0.0000000 0.0000000 0.5307910), wk = 0.0024390 k( 319) = ( 0.5000000 0.2886751 0.5307910), wk = 0.0024390 k( 320) = ( 0.5000000 0.2886751 0.5189956), wk = 0.0024390 k( 321) = ( 0.5000000 0.2886751 0.5072003), wk = 0.0024390 k( 322) = ( 0.5000000 0.2886751 0.4954049), wk = 0.0024390 k( 323) = ( 0.5000000 0.2886751 0.4836095), wk = 0.0024390 k( 324) = ( 0.5000000 0.2886751 0.4718142), wk = 0.0024390 k( 325) = ( 0.5000000 0.2886751 0.4600188), wk = 0.0024390 k( 326) = ( 0.5000000 0.2886751 0.4482235), wk = 0.0024390 k( 327) = ( 0.5000000 0.2886751 0.4364281), wk = 0.0024390 k( 328) = ( 0.5000000 0.2886751 0.4246328), wk = 0.0024390 k( 329) = ( 0.5000000 0.2886751 0.4128374), wk = 0.0024390 k( 330) = ( 0.5000000 0.2886751 0.4010421), wk = 0.0024390 k( 331) = ( 0.5000000 0.2886751 0.3892467), wk = 0.0024390 k( 332) = ( 0.5000000 0.2886751 0.3774514), wk = 0.0024390 k( 333) = ( 0.5000000 0.2886751 0.3656560), wk = 0.0024390 k( 334) = ( 0.5000000 0.2886751 0.3538606), wk = 0.0024390 k( 335) = ( 0.5000000 0.2886751 0.3420653), wk = 0.0024390 k( 336) = ( 0.5000000 0.2886751 0.3302699), wk = 0.0024390 k( 337) = ( 0.5000000 0.2886751 0.3184746), wk = 0.0024390 k( 338) = ( 0.5000000 0.2886751 0.3066792), wk = 0.0024390 k( 339) = ( 0.5000000 0.2886751 0.2948839), wk = 0.0024390 k( 340) = ( 0.5000000 0.2886751 0.2830885), wk = 0.0024390 k( 341) = ( 0.5000000 0.2886751 0.2712932), wk = 0.0024390 k( 342) = ( 0.5000000 0.2886751 0.2594978), wk = 0.0024390 k( 343) = ( 0.5000000 0.2886751 0.2477024), wk = 0.0024390 k( 344) = ( 0.5000000 0.2886751 0.2359071), wk = 0.0024390 k( 345) = ( 0.5000000 0.2886751 0.2241117), wk = 0.0024390 k( 346) = ( 0.5000000 0.2886751 0.2123164), wk = 0.0024390 k( 347) = ( 0.5000000 0.2886751 0.2005210), wk = 0.0024390 k( 348) = ( 0.5000000 0.2886751 0.1887257), wk = 0.0024390 k( 349) = ( 0.5000000 0.2886751 0.1769303), wk = 0.0024390 k( 350) = ( 0.5000000 0.2886751 0.1651350), wk = 0.0024390 k( 351) = ( 0.5000000 0.2886751 0.1533396), wk = 0.0024390 k( 352) = ( 0.5000000 0.2886751 0.1415443), wk = 0.0024390 k( 353) = ( 0.5000000 0.2886751 0.1297489), wk = 0.0024390 k( 354) = ( 0.5000000 0.2886751 0.1179535), wk = 0.0024390 k( 355) = ( 0.5000000 0.2886751 0.1061582), wk = 0.0024390 k( 356) = ( 0.5000000 0.2886751 0.0943628), wk = 0.0024390 k( 357) = ( 0.5000000 0.2886751 0.0825675), wk = 0.0024390 k( 358) = ( 0.5000000 0.2886751 0.0707721), wk = 0.0024390 k( 359) = ( 0.5000000 0.2886751 0.0589768), wk = 0.0024390 k( 360) = ( 0.5000000 0.2886751 0.0471814), wk = 0.0024390 k( 361) = ( 0.5000000 0.2886751 0.0353861), wk = 0.0024390 k( 362) = ( 0.5000000 0.2886751 0.0235907), wk = 0.0024390 k( 363) = ( 0.5000000 0.2886751 0.0117954), wk = 0.0024390 k( 364) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024390 k( 365) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024390 k( 366) = ( 0.3333333 0.5773503 0.0117954), wk = 0.0024390 k( 367) = ( 0.3333333 0.5773503 0.0235907), wk = 0.0024390 k( 368) = ( 0.3333333 0.5773503 0.0353861), wk = 0.0024390 k( 369) = ( 0.3333333 0.5773503 0.0471814), wk = 0.0024390 k( 370) = ( 0.3333333 0.5773503 0.0589768), wk = 0.0024390 k( 371) = ( 0.3333333 0.5773503 0.0707721), wk = 0.0024390 k( 372) = ( 0.3333333 0.5773503 0.0825675), wk = 0.0024390 k( 373) = ( 0.3333333 0.5773503 0.0943628), wk = 0.0024390 k( 374) = ( 0.3333333 0.5773503 0.1061582), wk = 0.0024390 k( 375) = ( 0.3333333 0.5773503 0.1179535), wk = 0.0024390 k( 376) = ( 0.3333333 0.5773503 0.1297489), wk = 0.0024390 k( 377) = ( 0.3333333 0.5773503 0.1415443), wk = 0.0024390 k( 378) = ( 0.3333333 0.5773503 0.1533396), wk = 0.0024390 k( 379) = ( 0.3333333 0.5773503 0.1651350), wk = 0.0024390 k( 380) = ( 0.3333333 0.5773503 0.1769303), wk = 0.0024390 k( 381) = ( 0.3333333 0.5773503 0.1887257), wk = 0.0024390 k( 382) = ( 0.3333333 0.5773503 0.2005210), wk = 0.0024390 k( 383) = ( 0.3333333 0.5773503 0.2123164), wk = 0.0024390 k( 384) = ( 0.3333333 0.5773503 0.2241117), wk = 0.0024390 k( 385) = ( 0.3333333 0.5773503 0.2359071), wk = 0.0024390 k( 386) = ( 0.3333333 0.5773503 0.2477024), wk = 0.0024390 k( 387) = ( 0.3333333 0.5773503 0.2594978), wk = 0.0024390 k( 388) = ( 0.3333333 0.5773503 0.2712932), wk = 0.0024390 k( 389) = ( 0.3333333 0.5773503 0.2830885), wk = 0.0024390 k( 390) = ( 0.3333333 0.5773503 0.2948839), wk = 0.0024390 k( 391) = ( 0.3333333 0.5773503 0.3066792), wk = 0.0024390 k( 392) = ( 0.3333333 0.5773503 0.3184746), wk = 0.0024390 k( 393) = ( 0.3333333 0.5773503 0.3302699), wk = 0.0024390 k( 394) = ( 0.3333333 0.5773503 0.3420653), wk = 0.0024390 k( 395) = ( 0.3333333 0.5773503 0.3538606), wk = 0.0024390 k( 396) = ( 0.3333333 0.5773503 0.3656560), wk = 0.0024390 k( 397) = ( 0.3333333 0.5773503 0.3774514), wk = 0.0024390 k( 398) = ( 0.3333333 0.5773503 0.3892467), wk = 0.0024390 k( 399) = ( 0.3333333 0.5773503 0.4010421), wk = 0.0024390 k( 400) = ( 0.3333333 0.5773503 0.4128374), wk = 0.0024390 k( 401) = ( 0.3333333 0.5773503 0.4246328), wk = 0.0024390 k( 402) = ( 0.3333333 0.5773503 0.4364281), wk = 0.0024390 k( 403) = ( 0.3333333 0.5773503 0.4482235), wk = 0.0024390 k( 404) = ( 0.3333333 0.5773503 0.4600188), wk = 0.0024390 k( 405) = ( 0.3333333 0.5773503 0.4718142), wk = 0.0024390 k( 406) = ( 0.3333333 0.5773503 0.4836095), wk = 0.0024390 k( 407) = ( 0.3333333 0.5773503 0.4954049), wk = 0.0024390 k( 408) = ( 0.3333333 0.5773503 0.5072003), wk = 0.0024390 k( 409) = ( 0.3333333 0.5773503 0.5189956), wk = 0.0024390 k( 410) = ( 0.3333333 0.5773503 0.5307910), wk = 0.0024390 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0102041 0.0000000 0.0000000), wk = 0.0024390 k( 3) = ( 0.0204082 0.0000000 0.0000000), wk = 0.0024390 k( 4) = ( 0.0306122 0.0000000 -0.0000000), wk = 0.0024390 k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0024390 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0024390 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0024390 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0024390 k( 9) = ( 0.0816327 0.0000000 0.0000000), wk = 0.0024390 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0024390 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0024390 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0024390 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0024390 k( 14) = ( 0.1326531 0.0000000 -0.0000000), wk = 0.0024390 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0024390 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0024390 k( 17) = ( 0.1632653 0.0000000 -0.0000000), wk = 0.0024390 k( 18) = ( 0.1734694 0.0000000 -0.0000000), wk = 0.0024390 k( 19) = ( 0.1836735 0.0000000 -0.0000000), wk = 0.0024390 k( 20) = ( 0.1938776 0.0000000 -0.0000000), wk = 0.0024390 k( 21) = ( 0.2040816 0.0000000 -0.0000000), wk = 0.0024390 k( 22) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0024390 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0024390 k( 24) = ( 0.2346939 0.0000000 -0.0000000), wk = 0.0024390 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0024390 k( 26) = ( 0.2551020 0.0000000 -0.0000000), wk = 0.0024390 k( 27) = ( 0.2653061 0.0000000 -0.0000000), wk = 0.0024390 k( 28) = ( 0.2755102 0.0000000 -0.0000000), wk = 0.0024390 k( 29) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0024390 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0024390 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0024390 k( 32) = ( 0.3163265 0.0000000 -0.0000000), wk = 0.0024390 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0024390 k( 34) = ( 0.3367347 0.0000000 -0.0000000), wk = 0.0024390 k( 35) = ( 0.3469388 0.0000000 -0.0000000), wk = 0.0024390 k( 36) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0024390 k( 37) = ( 0.3673469 0.0000000 -0.0000000), wk = 0.0024390 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0024390 k( 39) = ( 0.3877551 0.0000000 -0.0000000), wk = 0.0024390 k( 40) = ( 0.3979592 0.0000000 -0.0000000), wk = 0.0024390 k( 41) = ( 0.4081633 0.0000000 -0.0000000), wk = 0.0024390 k( 42) = ( 0.4183674 0.0000000 -0.0000000), wk = 0.0024390 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0024390 k( 44) = ( 0.4387755 0.0000000 0.0000000), wk = 0.0024390 k( 45) = ( 0.4489796 0.0000000 -0.0000000), wk = 0.0024390 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0024390 k( 47) = ( 0.4693878 0.0000000 -0.0000000), wk = 0.0024390 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0024390 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0024390 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024390 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024390 k( 52) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0024390 k( 53) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0024390 k( 54) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0024390 k( 55) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0024390 k( 56) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0024390 k( 57) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0024390 k( 58) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0024390 k( 59) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0024390 k( 60) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0024390 k( 61) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0024390 k( 62) = ( 0.4345238 0.1309524 -0.0000000), wk = 0.0024390 k( 63) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0024390 k( 64) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0024390 k( 65) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0024390 k( 66) = ( 0.4107143 0.1785714 -0.0000000), wk = 0.0024390 k( 67) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0024390 k( 68) = ( 0.3988095 0.2023810 -0.0000000), wk = 0.0024390 k( 69) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0024390 k( 70) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0024390 k( 71) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0024390 k( 72) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0024390 k( 73) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0024390 k( 74) = ( 0.3630952 0.2738095 -0.0000000), wk = 0.0024390 k( 75) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0024390 k( 76) = ( 0.3511905 0.2976190 -0.0000000), wk = 0.0024390 k( 77) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0024390 k( 78) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0024390 k( 79) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024390 k( 80) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024390 k( 81) = ( 0.3273810 0.3273810 -0.0000000), wk = 0.0024390 k( 82) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0024390 k( 83) = ( 0.3154762 0.3154762 -0.0000000), wk = 0.0024390 k( 84) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0024390 k( 85) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0024390 k( 86) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0024390 k( 87) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0024390 k( 88) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0024390 k( 89) = ( 0.2797619 0.2797619 -0.0000000), wk = 0.0024390 k( 90) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0024390 k( 91) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0024390 k( 92) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0024390 k( 93) = ( 0.2559524 0.2559524 -0.0000000), wk = 0.0024390 k( 94) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024390 k( 95) = ( 0.2440476 0.2440476 0.0000000), wk = 0.0024390 k( 96) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0024390 k( 97) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0024390 k( 98) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0024390 k( 99) = ( 0.2202381 0.2202381 -0.0000000), wk = 0.0024390 k( 100) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0024390 k( 101) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0024390 k( 102) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0024390 k( 103) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0024390 k( 104) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0024390 k( 105) = ( 0.1845238 0.1845238 -0.0000000), wk = 0.0024390 k( 106) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0024390 k( 107) = ( 0.1726190 0.1726190 -0.0000000), wk = 0.0024390 k( 108) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024390 k( 109) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0024390 k( 110) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0024390 k( 111) = ( 0.1488095 0.1488095 -0.0000000), wk = 0.0024390 k( 112) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0024390 k( 113) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0024390 k( 114) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0024390 k( 115) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024390 k( 116) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0024390 k( 117) = ( 0.1130952 0.1130952 -0.0000000), wk = 0.0024390 k( 118) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0024390 k( 119) = ( 0.1011905 0.1011905 -0.0000000), wk = 0.0024390 k( 120) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0024390 k( 121) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0024390 k( 122) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0024390 k( 123) = ( 0.0773810 0.0773809 -0.0000000), wk = 0.0024390 k( 124) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0024390 k( 125) = ( 0.0654762 0.0654762 -0.0000000), wk = 0.0024390 k( 126) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0024390 k( 127) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0024390 k( 128) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0024390 k( 129) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0024390 k( 130) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0024390 k( 131) = ( 0.0297619 0.0297619 0.0000000), wk = 0.0024390 k( 132) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0024390 k( 133) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0024390 k( 134) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0024390 k( 135) = ( 0.0059524 0.0059524 -0.0000000), wk = 0.0024390 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 138) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0024390 k( 139) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0024390 k( 140) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0024390 k( 141) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0024390 k( 142) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024390 k( 143) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0024390 k( 144) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0024390 k( 145) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0024390 k( 146) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024390 k( 147) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024390 k( 148) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0024390 k( 149) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0024390 k( 150) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0024390 k( 151) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0024390 k( 152) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024390 k( 153) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0024390 k( 154) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0024390 k( 155) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024390 k( 156) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 184) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0024390 k( 185) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0024390 k( 186) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0024390 k( 187) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0024390 k( 188) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0024390 k( 189) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0024390 k( 190) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0024390 k( 191) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0024390 k( 192) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0024390 k( 193) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0024390 k( 194) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0024390 k( 195) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0024390 k( 196) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0024390 k( 197) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0024390 k( 198) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0024390 k( 199) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0024390 k( 200) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0024390 k( 201) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0024390 k( 202) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0024390 k( 203) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0024390 k( 204) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0024390 k( 205) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0024390 k( 206) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0024390 k( 207) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0024390 k( 208) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0024390 k( 209) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0024390 k( 210) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0024390 k( 211) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0024390 k( 212) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0024390 k( 213) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0024390 k( 214) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0024390 k( 215) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0024390 k( 216) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0024390 k( 217) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0024390 k( 218) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0024390 k( 219) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0024390 k( 220) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0024390 k( 221) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0024390 k( 222) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0024390 k( 223) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0024390 k( 224) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0024390 k( 225) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0024390 k( 226) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0024390 k( 227) = ( 0.4489796 0.0000000 0.5000000), wk = 0.0024390 k( 228) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0024390 k( 229) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0024390 k( 230) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0024390 k( 231) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0024390 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024390 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024390 k( 234) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0024390 k( 235) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0024390 k( 236) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0024390 k( 237) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0024390 k( 238) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0024390 k( 239) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0024390 k( 240) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0024390 k( 241) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0024390 k( 242) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0024390 k( 243) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0024390 k( 244) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0024390 k( 245) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0024390 k( 246) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0024390 k( 247) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0024390 k( 248) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0024390 k( 249) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0024390 k( 250) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0024390 k( 251) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0024390 k( 252) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0024390 k( 253) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0024390 k( 254) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0024390 k( 255) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0024390 k( 256) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0024390 k( 257) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0024390 k( 258) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0024390 k( 259) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0024390 k( 260) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0024390 k( 261) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024390 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024390 k( 263) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0024390 k( 264) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0024390 k( 265) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0024390 k( 266) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0024390 k( 267) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0024390 k( 268) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0024390 k( 269) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0024390 k( 270) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0024390 k( 271) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0024390 k( 272) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0024390 k( 273) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0024390 k( 274) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0024390 k( 275) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0024390 k( 276) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024390 k( 277) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0024390 k( 278) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0024390 k( 279) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0024390 k( 280) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0024390 k( 281) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0024390 k( 282) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0024390 k( 283) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0024390 k( 284) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0024390 k( 285) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0024390 k( 286) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0024390 k( 287) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0024390 k( 288) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0024390 k( 289) = ( 0.1726190 0.1726190 0.5000000), wk = 0.0024390 k( 290) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024390 k( 291) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0024390 k( 292) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0024390 k( 293) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0024390 k( 294) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0024390 k( 295) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0024390 k( 296) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0024390 k( 297) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0024390 k( 298) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0024390 k( 299) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0024390 k( 300) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0024390 k( 301) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0024390 k( 302) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0024390 k( 303) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0024390 k( 304) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0024390 k( 305) = ( 0.0773810 0.0773809 0.5000000), wk = 0.0024390 k( 306) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0024390 k( 307) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0024390 k( 308) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0024390 k( 309) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0024390 k( 310) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0024390 k( 311) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0024390 k( 312) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0024390 k( 313) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0024390 k( 314) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0024390 k( 315) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0024390 k( 316) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0024390 k( 317) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0024390 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 319) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024390 k( 320) = ( 0.5000000 0.0000000 0.4888889), wk = 0.0024390 k( 321) = ( 0.5000000 0.0000000 0.4777778), wk = 0.0024390 k( 322) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0024390 k( 323) = ( 0.5000000 0.0000000 0.4555556), wk = 0.0024390 k( 324) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0024390 k( 325) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0024390 k( 326) = ( 0.5000000 0.0000000 0.4222222), wk = 0.0024390 k( 327) = ( 0.5000000 0.0000000 0.4111111), wk = 0.0024390 k( 328) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0024390 k( 329) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0024390 k( 330) = ( 0.5000000 0.0000000 0.3777778), wk = 0.0024390 k( 331) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0024390 k( 332) = ( 0.5000000 0.0000000 0.3555556), wk = 0.0024390 k( 333) = ( 0.5000000 0.0000000 0.3444444), wk = 0.0024390 k( 334) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0024390 k( 335) = ( 0.5000000 0.0000000 0.3222222), wk = 0.0024390 k( 336) = ( 0.5000000 0.0000000 0.3111111), wk = 0.0024390 k( 337) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0024390 k( 338) = ( 0.5000000 0.0000000 0.2888889), wk = 0.0024390 k( 339) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0024390 k( 340) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0024390 k( 341) = ( 0.5000000 0.0000000 0.2555556), wk = 0.0024390 k( 342) = ( 0.5000000 0.0000000 0.2444444), wk = 0.0024390 k( 343) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0024390 k( 344) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0024390 k( 345) = ( 0.5000000 0.0000000 0.2111111), wk = 0.0024390 k( 346) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0024390 k( 347) = ( 0.5000000 0.0000000 0.1888889), wk = 0.0024390 k( 348) = ( 0.5000000 0.0000000 0.1777778), wk = 0.0024390 k( 349) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0024390 k( 350) = ( 0.5000000 0.0000000 0.1555556), wk = 0.0024390 k( 351) = ( 0.5000000 0.0000000 0.1444444), wk = 0.0024390 k( 352) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0024390 k( 353) = ( 0.5000000 0.0000000 0.1222222), wk = 0.0024390 k( 354) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0024390 k( 355) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0024390 k( 356) = ( 0.5000000 0.0000000 0.0888889), wk = 0.0024390 k( 357) = ( 0.5000000 0.0000000 0.0777778), wk = 0.0024390 k( 358) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0024390 k( 359) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0024390 k( 360) = ( 0.5000000 0.0000000 0.0444444), wk = 0.0024390 k( 361) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0024390 k( 362) = ( 0.5000000 0.0000000 0.0222222), wk = 0.0024390 k( 363) = ( 0.5000000 0.0000000 0.0111111), wk = 0.0024390 k( 364) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024390 k( 365) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024390 k( 366) = ( 0.3333333 0.3333333 0.0111111), wk = 0.0024390 k( 367) = ( 0.3333333 0.3333333 0.0222222), wk = 0.0024390 k( 368) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0024390 k( 369) = ( 0.3333333 0.3333333 0.0444444), wk = 0.0024390 k( 370) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0024390 k( 371) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0024390 k( 372) = ( 0.3333333 0.3333333 0.0777778), wk = 0.0024390 k( 373) = ( 0.3333333 0.3333333 0.0888889), wk = 0.0024390 k( 374) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0024390 k( 375) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0024390 k( 376) = ( 0.3333333 0.3333333 0.1222222), wk = 0.0024390 k( 377) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0024390 k( 378) = ( 0.3333333 0.3333333 0.1444444), wk = 0.0024390 k( 379) = ( 0.3333333 0.3333333 0.1555556), wk = 0.0024390 k( 380) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0024390 k( 381) = ( 0.3333333 0.3333333 0.1777778), wk = 0.0024390 k( 382) = ( 0.3333333 0.3333333 0.1888889), wk = 0.0024390 k( 383) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0024390 k( 384) = ( 0.3333333 0.3333333 0.2111111), wk = 0.0024390 k( 385) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0024390 k( 386) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0024390 k( 387) = ( 0.3333333 0.3333333 0.2444444), wk = 0.0024390 k( 388) = ( 0.3333333 0.3333333 0.2555556), wk = 0.0024390 k( 389) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0024390 k( 390) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0024390 k( 391) = ( 0.3333333 0.3333333 0.2888889), wk = 0.0024390 k( 392) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0024390 k( 393) = ( 0.3333333 0.3333333 0.3111111), wk = 0.0024390 k( 394) = ( 0.3333333 0.3333333 0.3222222), wk = 0.0024390 k( 395) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024390 k( 396) = ( 0.3333333 0.3333333 0.3444444), wk = 0.0024390 k( 397) = ( 0.3333333 0.3333333 0.3555556), wk = 0.0024390 k( 398) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0024390 k( 399) = ( 0.3333333 0.3333333 0.3777778), wk = 0.0024390 k( 400) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0024390 k( 401) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0024390 k( 402) = ( 0.3333333 0.3333333 0.4111111), wk = 0.0024390 k( 403) = ( 0.3333333 0.3333333 0.4222222), wk = 0.0024390 k( 404) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0024390 k( 405) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0024390 k( 406) = ( 0.3333333 0.3333333 0.4555556), wk = 0.0024390 k( 407) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0024390 k( 408) = ( 0.3333333 0.3333333 0.4777778), wk = 0.0024390 k( 409) = ( 0.3333333 0.3333333 0.4888889), wk = 0.0024390 k( 410) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024390 Dense grid: 41143 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 228, 26) NL pseudopotentials 0.11 Mb ( 114, 62) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 860) G-vector shells 0.00 Mb ( 398) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 228, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 62, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiNiN.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.2 secs Computing kpt #: 2 total cpu time spent up to now is 44.8 secs Computing kpt #: 3 total cpu time spent up to now is 45.4 secs Computing kpt #: 4 total cpu time spent up to now is 45.9 secs Computing kpt #: 5 total cpu time spent up to now is 46.4 secs Computing kpt #: 6 total cpu time spent up to now is 46.9 secs Computing kpt #: 7 total cpu time spent up to now is 47.5 secs Computing kpt #: 8 total cpu time spent up to now is 48.0 secs Computing kpt #: 9 total cpu time spent up to now is 48.5 secs Computing kpt #: 10 total cpu time spent up to now is 49.0 secs Computing kpt #: 11 total cpu time spent up to now is 49.5 secs Computing kpt #: 12 total cpu time spent up to now is 50.0 secs Computing kpt #: 13 total cpu time spent up to now is 50.6 secs Computing kpt #: 14 total cpu time spent up to now is 51.1 secs Computing kpt #: 15 total cpu time spent up to now is 51.6 secs Computing kpt #: 16 total cpu time spent up to now is 52.1 secs Computing kpt #: 17 total cpu time spent up to now is 52.5 secs Computing kpt #: 18 total cpu time spent up to now is 53.0 secs Computing kpt #: 19 total cpu time spent up to now is 53.5 secs Computing kpt #: 20 total cpu time spent up to now is 54.0 secs Computing kpt #: 21 total cpu time spent up to now is 54.7 secs Computing kpt #: 22 total cpu time spent up to now is 56.7 secs Computing kpt #: 23 total cpu time spent up to now is 57.8 secs Computing kpt #: 24 total cpu time spent up to now is 58.5 secs Computing kpt #: 25 total cpu time spent up to now is 59.0 secs Computing kpt #: 26 total cpu time spent up to now is 59.5 secs Computing kpt #: 27 total cpu time spent up to now is 60.0 secs Computing kpt #: 28 total cpu time spent up to now is 61.1 secs Computing kpt #: 29 total cpu time spent up to now is 61.7 secs Computing kpt #: 30 total cpu time spent up to now is 62.3 secs Computing kpt #: 31 total cpu time spent up to now is 62.8 secs Computing kpt #: 32 total cpu time spent up to now is 63.5 secs Computing kpt #: 33 total cpu time spent up to now is 64.1 secs Computing kpt #: 34 total cpu time spent up to now is 64.8 secs Computing kpt #: 35 total cpu time spent up to now is 65.3 secs Computing kpt #: 36 total cpu time spent up to now is 66.0 secs Computing kpt #: 37 total cpu time spent up to now is 66.6 secs Computing kpt #: 38 total cpu time spent up to now is 67.1 secs Computing kpt #: 39 total cpu time spent up to now is 67.6 secs Computing kpt #: 40 total cpu time spent up to now is 68.2 secs Computing kpt #: 41 total cpu time spent up to now is 68.8 secs Computing kpt #: 42 total cpu time spent up to now is 69.3 secs Computing kpt #: 43 total cpu time spent up to now is 70.0 secs Computing kpt #: 44 total cpu time spent up to now is 70.8 secs Computing kpt #: 45 total cpu time spent up to now is 71.5 secs Computing kpt #: 46 total cpu time spent up to now is 72.3 secs Computing kpt #: 47 total cpu time spent up to now is 73.2 secs Computing kpt #: 48 total cpu time spent up to now is 73.9 secs Computing kpt #: 49 total cpu time spent up to now is 74.7 secs Computing kpt #: 50 total cpu time spent up to now is 75.3 secs Computing kpt #: 51 total cpu time spent up to now is 75.9 secs Computing kpt #: 52 total cpu time spent up to now is 76.4 secs Computing kpt #: 53 total cpu time spent up to now is 77.1 secs Computing kpt #: 54 total cpu time spent up to now is 77.9 secs Computing kpt #: 55 total cpu time spent up to now is 78.3 secs Computing kpt #: 56 total cpu time spent up to now is 78.8 secs Computing kpt #: 57 total cpu time spent up to now is 79.2 secs Computing kpt #: 58 total cpu time spent up to now is 79.8 secs Computing kpt #: 59 total cpu time spent up to now is 80.2 secs Computing kpt #: 60 total cpu time spent up to now is 80.7 secs Computing kpt #: 61 total cpu time spent up to now is 81.1 secs Computing kpt #: 62 total cpu time spent up to now is 81.5 secs Computing kpt #: 63 total cpu time spent up to now is 81.9 secs Computing kpt #: 64 total cpu time spent up to now is 82.2 secs Computing kpt #: 65 total cpu time spent up to now is 82.6 secs Computing kpt #: 66 total cpu time spent up to now is 83.0 secs Computing kpt #: 67 total cpu time spent up to now is 83.4 secs Computing kpt #: 68 total cpu time spent up to now is 83.7 secs Computing kpt #: 69 total cpu time spent up to now is 84.1 secs Computing kpt #: 70 total cpu time spent up to now is 84.5 secs Computing kpt #: 71 total cpu time spent up to now is 84.8 secs Computing kpt #: 72 total cpu time spent up to now is 85.2 secs Computing kpt #: 73 total cpu time spent up to now is 85.6 secs Computing kpt #: 74 total cpu time spent up to now is 85.9 secs Computing kpt #: 75 total cpu time spent up to now is 86.3 secs Computing kpt #: 76 total cpu time spent up to now is 86.7 secs Computing kpt #: 77 total cpu time spent up to now is 87.0 secs Computing kpt #: 78 total cpu time spent up to now is 87.4 secs Computing kpt #: 79 total cpu time spent up to now is 87.8 secs Computing kpt #: 80 total cpu time spent up to now is 88.1 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 88.8 secs Computing kpt #: 83 total cpu time spent up to now is 89.4 secs Computing kpt #: 84 total cpu time spent up to now is 90.0 secs Computing kpt #: 85 total cpu time spent up to now is 90.6 secs Computing kpt #: 86 total cpu time spent up to now is 91.0 secs Computing kpt #: 87 total cpu time spent up to now is 91.7 secs Computing kpt #: 88 total cpu time spent up to now is 92.4 secs Computing kpt #: 89 total cpu time spent up to now is 93.1 secs Computing kpt #: 90 total cpu time spent up to now is 93.4 secs Computing kpt #: 91 total cpu time spent up to now is 94.1 secs Computing kpt #: 92 total cpu time spent up to now is 94.8 secs Computing kpt #: 93 total cpu time spent up to now is 95.2 secs Computing kpt #: 94 total cpu time spent up to now is 95.8 secs Computing kpt #: 95 total cpu time spent up to now is 96.5 secs Computing kpt #: 96 total cpu time spent up to now is 97.1 secs Computing kpt #: 97 total cpu time spent up to now is 97.7 secs Computing kpt #: 98 total cpu time spent up to now is 98.4 secs Computing kpt #: 99 total cpu time spent up to now is 98.9 secs Computing kpt #: 100 total cpu time spent up to now is 99.3 secs Computing kpt #: 101 total cpu time spent up to now is 99.7 secs Computing kpt #: 102 total cpu time spent up to now is 100.1 secs Computing kpt #: 103 total cpu time spent up to now is 100.5 secs Computing kpt #: 104 total cpu time spent up to now is 101.1 secs Computing kpt #: 105 total cpu time spent up to now is 101.5 secs Computing kpt #: 106 total cpu time spent up to now is 102.0 secs Computing kpt #: 107 total cpu time spent up to now is 102.4 secs Computing kpt #: 108 total cpu time spent up to now is 102.9 secs Computing kpt #: 109 total cpu time spent up to now is 103.5 secs Computing kpt #: 110 total cpu time spent up to now is 103.9 secs Computing kpt #: 111 total cpu time spent up to now is 104.4 secs Computing kpt #: 112 total cpu time spent up to now is 104.8 secs Computing kpt #: 113 total cpu time spent up to now is 105.2 secs Computing kpt #: 114 total cpu time spent up to now is 105.6 secs Computing kpt #: 115 total cpu time spent up to now is 106.1 secs Computing kpt #: 116 total cpu time spent up to now is 106.6 secs Computing kpt #: 117 total cpu time spent up to now is 107.1 secs Computing kpt #: 118 total cpu time spent up to now is 107.7 secs Computing kpt #: 119 total cpu time spent up to now is 108.2 secs Computing kpt #: 120 total cpu time spent up to now is 108.7 secs Computing kpt #: 121 total cpu time spent up to now is 109.3 secs Computing kpt #: 122 total cpu time spent up to now is 109.8 secs Computing kpt #: 123 total cpu time spent up to now is 110.3 secs Computing kpt #: 124 total cpu time spent up to now is 110.8 secs Computing kpt #: 125 total cpu time spent up to now is 111.3 secs Computing kpt #: 126 total cpu time spent up to now is 111.8 secs Computing kpt #: 127 total cpu time spent up to now is 112.3 secs Computing kpt #: 128 total cpu time spent up to now is 112.9 secs Computing kpt #: 129 total cpu time spent up to now is 113.5 secs Computing kpt #: 130 total cpu time spent up to now is 114.1 secs Computing kpt #: 131 total cpu time spent up to now is 114.7 secs Computing kpt #: 132 total cpu time spent up to now is 115.2 secs Computing kpt #: 133 total cpu time spent up to now is 115.8 secs Computing kpt #: 134 total cpu time spent up to now is 116.3 secs Computing kpt #: 135 total cpu time spent up to now is 116.9 secs Computing kpt #: 136 total cpu time spent up to now is 117.4 secs Computing kpt #: 137 total cpu time spent up to now is 118.0 secs Computing kpt #: 138 total cpu time spent up to now is 118.7 secs Computing kpt #: 139 total cpu time spent up to now is 119.4 secs Computing kpt #: 140 total cpu time spent up to now is 120.0 secs Computing kpt #: 141 total cpu time spent up to now is 120.8 secs Computing kpt #: 142 total cpu time spent up to now is 121.4 secs Computing kpt #: 143 total cpu time spent up to now is 122.2 secs Computing kpt #: 144 total cpu time spent up to now is 122.8 secs Computing kpt #: 145 total cpu time spent up to now is 123.4 secs Computing kpt #: 146 total cpu time spent up to now is 123.9 secs Computing kpt #: 147 total cpu time spent up to now is 124.5 secs Computing kpt #: 148 total cpu time spent up to now is 125.1 secs Computing kpt #: 149 total cpu time spent up to now is 125.6 secs Computing kpt #: 150 total cpu time spent up to now is 126.3 secs Computing kpt #: 151 total cpu time spent up to now is 126.9 secs Computing kpt #: 152 total cpu time spent up to now is 127.6 secs Computing kpt #: 153 total cpu time spent up to now is 128.2 secs Computing kpt #: 154 total cpu time spent up to now is 129.0 secs Computing kpt #: 155 total cpu time spent up to now is 129.6 secs Computing kpt #: 156 total cpu time spent up to now is 130.2 secs Computing kpt #: 157 total cpu time spent up to now is 130.8 secs Computing kpt #: 158 total cpu time spent up to now is 131.5 secs Computing kpt #: 159 total cpu time spent up to now is 132.3 secs Computing kpt #: 160 total cpu time spent up to now is 133.0 secs Computing kpt #: 161 total cpu time spent up to now is 133.8 secs Computing kpt #: 162 total cpu time spent up to now is 134.5 secs Computing kpt #: 163 total cpu time spent up to now is 135.3 secs Computing kpt #: 164 total cpu time spent up to now is 136.0 secs Computing kpt #: 165 total cpu time spent up to now is 136.7 secs Computing kpt #: 166 total cpu time spent up to now is 137.5 secs Computing kpt #: 167 total cpu time spent up to now is 138.2 secs Computing kpt #: 168 total cpu time spent up to now is 139.4 secs Computing kpt #: 169 total cpu time spent up to now is 140.2 secs Computing kpt #: 170 total cpu time spent up to now is 140.9 secs Computing kpt #: 171 total cpu time spent up to now is 141.6 secs Computing kpt #: 172 total cpu time spent up to now is 142.3 secs Computing kpt #: 173 total cpu time spent up to now is 143.2 secs Computing kpt #: 174 total cpu time spent up to now is 144.0 secs Computing kpt #: 175 total cpu time spent up to now is 144.8 secs Computing kpt #: 176 total cpu time spent up to now is 145.5 secs Computing kpt #: 177 total cpu time spent up to now is 146.4 secs Computing kpt #: 178 total cpu time spent up to now is 147.1 secs Computing kpt #: 179 total cpu time spent up to now is 147.7 secs Computing kpt #: 180 total cpu time spent up to now is 148.4 secs Computing kpt #: 181 total cpu time spent up to now is 149.1 secs Computing kpt #: 182 total cpu time spent up to now is 149.8 secs Computing kpt #: 183 total cpu time spent up to now is 150.4 secs Computing kpt #: 184 total cpu time spent up to now is 151.0 secs Computing kpt #: 185 total cpu time spent up to now is 151.8 secs Computing kpt #: 186 total cpu time spent up to now is 152.4 secs Computing kpt #: 187 total cpu time spent up to now is 153.0 secs Computing kpt #: 188 total cpu time spent up to now is 153.7 secs Computing kpt #: 189 total cpu time spent up to now is 154.3 secs Computing kpt #: 190 total cpu time spent up to now is 154.9 secs Computing kpt #: 191 total cpu time spent up to now is 155.6 secs Computing kpt #: 192 total cpu time spent up to now is 156.2 secs Computing kpt #: 193 total cpu time spent up to now is 156.9 secs Computing kpt #: 194 total cpu time spent up to now is 157.5 secs Computing kpt #: 195 total cpu time spent up to now is 158.1 secs Computing kpt #: 196 total cpu time spent up to now is 158.6 secs Computing kpt #: 197 total cpu time spent up to now is 159.1 secs Computing kpt #: 198 total cpu time spent up to now is 159.7 secs Computing kpt #: 199 total cpu time spent up to now is 160.2 secs Computing kpt #: 200 total cpu time spent up to now is 160.8 secs Computing kpt #: 201 total cpu time spent up to now is 161.4 secs Computing kpt #: 202 total cpu time spent up to now is 162.0 secs Computing kpt #: 203 total cpu time spent up to now is 162.7 secs Computing kpt #: 204 total cpu time spent up to now is 163.4 secs Computing kpt #: 205 total cpu time spent up to now is 164.2 secs Computing kpt #: 206 total cpu time spent up to now is 165.0 secs Computing kpt #: 207 total cpu time spent up to now is 165.6 secs Computing kpt #: 208 total cpu time spent up to now is 166.2 secs Computing kpt #: 209 total cpu time spent up to now is 166.9 secs Computing kpt #: 210 total cpu time spent up to now is 167.4 secs Computing kpt #: 211 total cpu time spent up to now is 168.1 secs Computing kpt #: 212 total cpu time spent up to now is 168.6 secs Computing kpt #: 213 total cpu time spent up to now is 169.2 secs Computing kpt #: 214 total cpu time spent up to now is 169.9 secs Computing kpt #: 215 total cpu time spent up to now is 170.4 secs Computing kpt #: 216 total cpu time spent up to now is 170.9 secs Computing kpt #: 217 total cpu time spent up to now is 171.4 secs Computing kpt #: 218 total cpu time spent up to now is 171.9 secs Computing kpt #: 219 total cpu time spent up to now is 172.6 secs Computing kpt #: 220 total cpu time spent up to now is 173.1 secs Computing kpt #: 221 total cpu time spent up to now is 173.8 secs Computing kpt #: 222 total cpu time spent up to now is 174.6 secs Computing kpt #: 223 total cpu time spent up to now is 175.1 secs Computing kpt #: 224 total cpu time spent up to now is 175.6 secs Computing kpt #: 225 total cpu time spent up to now is 176.2 secs Computing kpt #: 226 total cpu time spent up to now is 176.9 secs Computing kpt #: 227 total cpu time spent up to now is 177.6 secs Computing kpt #: 228 total cpu time spent up to now is 178.1 secs Computing kpt #: 229 total cpu time spent up to now is 178.6 secs Computing kpt #: 230 total cpu time spent up to now is 179.3 secs Computing kpt #: 231 total cpu time spent up to now is 179.9 secs Computing kpt #: 232 total cpu time spent up to now is 180.5 secs Computing kpt #: 233 total cpu time spent up to now is 181.0 secs Computing kpt #: 234 total cpu time spent up to now is 181.6 secs Computing kpt #: 235 total cpu time spent up to now is 182.1 secs Computing kpt #: 236 total cpu time spent up to now is 182.6 secs Computing kpt #: 237 total cpu time spent up to now is 183.0 secs Computing kpt #: 238 total cpu time spent up to now is 183.4 secs Computing kpt #: 239 total cpu time spent up to now is 183.9 secs Computing kpt #: 240 total cpu time spent up to now is 184.3 secs Computing kpt #: 241 total cpu time spent up to now is 184.7 secs Computing kpt #: 242 total cpu time spent up to now is 185.2 secs Computing kpt #: 243 total cpu time spent up to now is 185.6 secs Computing kpt #: 244 total cpu time spent up to now is 186.2 secs Computing kpt #: 245 total cpu time spent up to now is 187.1 secs Computing kpt #: 246 total cpu time spent up to now is 188.2 secs Computing kpt #: 247 total cpu time spent up to now is 189.0 secs Computing kpt #: 248 total cpu time spent up to now is 189.6 secs Computing kpt #: 249 total cpu time spent up to now is 190.3 secs Computing kpt #: 250 total cpu time spent up to now is 191.0 secs Computing kpt #: 251 total cpu time spent up to now is 191.5 secs Computing kpt #: 252 total cpu time spent up to now is 192.1 secs Computing kpt #: 253 total cpu time spent up to now is 192.6 secs Computing kpt #: 254 total cpu time spent up to now is 193.1 secs Computing kpt #: 255 total cpu time spent up to now is 193.6 secs Computing kpt #: 256 total cpu time spent up to now is 194.2 secs Computing kpt #: 257 total cpu time spent up to now is 194.9 secs Computing kpt #: 258 total cpu time spent up to now is 195.4 secs Computing kpt #: 259 total cpu time spent up to now is 196.0 secs Computing kpt #: 260 total cpu time spent up to now is 196.5 secs Computing kpt #: 261 total cpu time spent up to now is 196.9 secs Computing kpt #: 262 total cpu time spent up to now is 197.4 secs Computing kpt #: 263 total cpu time spent up to now is 197.9 secs Computing kpt #: 264 total cpu time spent up to now is 198.4 secs Computing kpt #: 265 total cpu time spent up to now is 198.9 secs Computing kpt #: 266 total cpu time spent up to now is 199.5 secs Computing kpt #: 267 total cpu time spent up to now is 200.0 secs Computing kpt #: 268 total cpu time spent up to now is 200.6 secs Computing kpt #: 269 total cpu time spent up to now is 201.1 secs Computing kpt #: 270 total cpu time spent up to now is 201.6 secs Computing kpt #: 271 total cpu time spent up to now is 202.2 secs Computing kpt #: 272 total cpu time spent up to now is 202.7 secs Computing kpt #: 273 total cpu time spent up to now is 203.2 secs Computing kpt #: 274 total cpu time spent up to now is 203.8 secs Computing kpt #: 275 total cpu time spent up to now is 204.5 secs Computing kpt #: 276 total cpu time spent up to now is 205.0 secs Computing kpt #: 277 total cpu time spent up to now is 205.5 secs Computing kpt #: 278 total cpu time spent up to now is 205.9 secs Computing kpt #: 279 total cpu time spent up to now is 206.3 secs Computing kpt #: 280 total cpu time spent up to now is 206.8 secs Computing kpt #: 281 total cpu time spent up to now is 207.4 secs Computing kpt #: 282 total cpu time spent up to now is 207.9 secs Computing kpt #: 283 total cpu time spent up to now is 208.3 secs Computing kpt #: 284 total cpu time spent up to now is 208.7 secs Computing kpt #: 285 total cpu time spent up to now is 209.2 secs Computing kpt #: 286 total cpu time spent up to now is 209.6 secs Computing kpt #: 287 total cpu time spent up to now is 210.1 secs Computing kpt #: 288 total cpu time spent up to now is 210.6 secs Computing kpt #: 289 total cpu time spent up to now is 211.0 secs Computing kpt #: 290 total cpu time spent up to now is 211.5 secs Computing kpt #: 291 total cpu time spent up to now is 211.9 secs Computing kpt #: 292 total cpu time spent up to now is 212.3 secs Computing kpt #: 293 total cpu time spent up to now is 212.7 secs Computing kpt #: 294 total cpu time spent up to now is 213.1 secs Computing kpt #: 295 total cpu time spent up to now is 213.5 secs Computing kpt #: 296 total cpu time spent up to now is 213.9 secs Computing kpt #: 297 total cpu time spent up to now is 214.4 secs Computing kpt #: 298 total cpu time spent up to now is 214.8 secs Computing kpt #: 299 total cpu time spent up to now is 215.3 secs Computing kpt #: 300 total cpu time spent up to now is 215.8 secs Computing kpt #: 301 total cpu time spent up to now is 216.4 secs Computing kpt #: 302 total cpu time spent up to now is 216.9 secs Computing kpt #: 303 total cpu time spent up to now is 217.6 secs Computing kpt #: 304 total cpu time spent up to now is 218.1 secs Computing kpt #: 305 total cpu time spent up to now is 218.6 secs Computing kpt #: 306 total cpu time spent up to now is 219.2 secs Computing kpt #: 307 total cpu time spent up to now is 219.8 secs Computing kpt #: 308 total cpu time spent up to now is 220.3 secs Computing kpt #: 309 total cpu time spent up to now is 220.9 secs Computing kpt #: 310 total cpu time spent up to now is 221.7 secs Computing kpt #: 311 total cpu time spent up to now is 222.3 secs Computing kpt #: 312 total cpu time spent up to now is 223.0 secs Computing kpt #: 313 total cpu time spent up to now is 223.6 secs Computing kpt #: 314 total cpu time spent up to now is 224.2 secs Computing kpt #: 315 total cpu time spent up to now is 224.9 secs Computing kpt #: 316 total cpu time spent up to now is 225.5 secs Computing kpt #: 317 total cpu time spent up to now is 226.0 secs Computing kpt #: 318 total cpu time spent up to now is 226.7 secs Computing kpt #: 319 total cpu time spent up to now is 227.3 secs Computing kpt #: 320 total cpu time spent up to now is 227.9 secs Computing kpt #: 321 total cpu time spent up to now is 228.5 secs Computing kpt #: 322 total cpu time spent up to now is 229.1 secs Computing kpt #: 323 total cpu time spent up to now is 229.6 secs Computing kpt #: 324 total cpu time spent up to now is 230.1 secs Computing kpt #: 325 total cpu time spent up to now is 230.6 secs Computing kpt #: 326 total cpu time spent up to now is 231.1 secs Computing kpt #: 327 total cpu time spent up to now is 231.6 secs Computing kpt #: 328 total cpu time spent up to now is 232.1 secs Computing kpt #: 329 total cpu time spent up to now is 232.5 secs Computing kpt #: 330 total cpu time spent up to now is 233.1 secs Computing kpt #: 331 total cpu time spent up to now is 233.6 secs Computing kpt #: 332 total cpu time spent up to now is 234.1 secs Computing kpt #: 333 total cpu time spent up to now is 234.6 secs Computing kpt #: 334 total cpu time spent up to now is 235.0 secs Computing kpt #: 335 total cpu time spent up to now is 235.5 secs Computing kpt #: 336 total cpu time spent up to now is 235.9 secs Computing kpt #: 337 total cpu time spent up to now is 236.4 secs Computing kpt #: 338 total cpu time spent up to now is 236.8 secs Computing kpt #: 339 total cpu time spent up to now is 237.2 secs Computing kpt #: 340 total cpu time spent up to now is 237.7 secs Computing kpt #: 341 total cpu time spent up to now is 238.1 secs Computing kpt #: 342 total cpu time spent up to now is 238.5 secs Computing kpt #: 343 total cpu time spent up to now is 239.1 secs Computing kpt #: 344 total cpu time spent up to now is 239.6 secs Computing kpt #: 345 total cpu time spent up to now is 240.1 secs Computing kpt #: 346 total cpu time spent up to now is 240.8 secs Computing kpt #: 347 total cpu time spent up to now is 241.2 secs Computing kpt #: 348 total cpu time spent up to now is 241.7 secs Computing kpt #: 349 total cpu time spent up to now is 242.2 secs Computing kpt #: 350 total cpu time spent up to now is 242.7 secs Computing kpt #: 351 total cpu time spent up to now is 243.1 secs Computing kpt #: 352 total cpu time spent up to now is 243.6 secs Computing kpt #: 353 total cpu time spent up to now is 244.1 secs Computing kpt #: 354 total cpu time spent up to now is 244.6 secs Computing kpt #: 355 total cpu time spent up to now is 245.2 secs Computing kpt #: 356 total cpu time spent up to now is 245.7 secs Computing kpt #: 357 total cpu time spent up to now is 246.4 secs Computing kpt #: 358 total cpu time spent up to now is 246.9 secs Computing kpt #: 359 total cpu time spent up to now is 247.5 secs Computing kpt #: 360 total cpu time spent up to now is 248.0 secs Computing kpt #: 361 total cpu time spent up to now is 248.5 secs Computing kpt #: 362 total cpu time spent up to now is 249.1 secs Computing kpt #: 363 total cpu time spent up to now is 249.7 secs Computing kpt #: 364 total cpu time spent up to now is 250.2 secs Computing kpt #: 365 total cpu time spent up to now is 250.6 secs Computing kpt #: 366 total cpu time spent up to now is 251.0 secs Computing kpt #: 367 total cpu time spent up to now is 251.7 secs Computing kpt #: 368 total cpu time spent up to now is 252.2 secs Computing kpt #: 369 total cpu time spent up to now is 252.5 secs Computing kpt #: 370 total cpu time spent up to now is 252.9 secs Computing kpt #: 371 total cpu time spent up to now is 253.3 secs Computing kpt #: 372 total cpu time spent up to now is 253.6 secs Computing kpt #: 373 total cpu time spent up to now is 254.0 secs Computing kpt #: 374 total cpu time spent up to now is 254.7 secs Computing kpt #: 375 total cpu time spent up to now is 255.1 secs Computing kpt #: 376 total cpu time spent up to now is 255.5 secs Computing kpt #: 377 total cpu time spent up to now is 255.9 secs Computing kpt #: 378 total cpu time spent up to now is 256.3 secs Computing kpt #: 379 total cpu time spent up to now is 256.7 secs Computing kpt #: 380 total cpu time spent up to now is 257.0 secs Computing kpt #: 381 total cpu time spent up to now is 257.4 secs Computing kpt #: 382 total cpu time spent up to now is 257.8 secs Computing kpt #: 383 total cpu time spent up to now is 258.3 secs Computing kpt #: 384 total cpu time spent up to now is 258.9 secs Computing kpt #: 385 total cpu time spent up to now is 259.4 secs Computing kpt #: 386 total cpu time spent up to now is 259.9 secs Computing kpt #: 387 total cpu time spent up to now is 260.5 secs Computing kpt #: 388 total cpu time spent up to now is 261.2 secs Computing kpt #: 389 total cpu time spent up to now is 261.8 secs Computing kpt #: 390 total cpu time spent up to now is 262.3 secs Computing kpt #: 391 total cpu time spent up to now is 262.7 secs Computing kpt #: 392 total cpu time spent up to now is 263.4 secs Computing kpt #: 393 total cpu time spent up to now is 263.9 secs Computing kpt #: 394 total cpu time spent up to now is 264.4 secs Computing kpt #: 395 total cpu time spent up to now is 265.0 secs Computing kpt #: 396 total cpu time spent up to now is 265.6 secs Computing kpt #: 397 total cpu time spent up to now is 266.2 secs Computing kpt #: 398 total cpu time spent up to now is 267.1 secs Computing kpt #: 399 total cpu time spent up to now is 267.7 secs Computing kpt #: 400 total cpu time spent up to now is 268.2 secs Computing kpt #: 401 total cpu time spent up to now is 268.8 secs Computing kpt #: 402 total cpu time spent up to now is 269.4 secs Computing kpt #: 403 total cpu time spent up to now is 269.9 secs Computing kpt #: 404 total cpu time spent up to now is 270.5 secs Computing kpt #: 405 total cpu time spent up to now is 271.0 secs Computing kpt #: 406 total cpu time spent up to now is 271.5 secs Computing kpt #: 407 total cpu time spent up to now is 271.9 secs Computing kpt #: 408 total cpu time spent up to now is 272.4 secs Computing kpt #: 409 total cpu time spent up to now is 272.8 secs Computing kpt #: 410 total cpu time spent up to now is 273.3 secs ethr = 5.56E-11, avg # of iterations = 25.0 total cpu time spent up to now is 273.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5229 PWs) bands (ev): -41.1479 -41.1479 -10.5965 -10.5965 0.9741 0.9741 1.0821 1.0821 1.9075 1.9075 1.9698 1.9698 2.0245 2.0245 2.0457 2.0457 2.4436 2.4436 2.5963 2.5963 6.2757 6.2757 13.2221 13.2221 13.2427 13.2427 k = 0.0102 0.0059-0.0000 ( 5209 PWs) bands (ev): -41.1479 -41.1479 -10.5963 -10.5963 0.9737 0.9737 1.0824 1.0824 1.9072 1.9072 1.9696 1.9696 2.0242 2.0242 2.0454 2.0454 2.4438 2.4438 2.5965 2.5965 6.2765 6.2765 13.2152 13.2152 13.2389 13.2389 k = 0.0204 0.0118-0.0000 ( 5205 PWs) bands (ev): -41.1479 -41.1479 -10.5959 -10.5959 0.9724 0.9724 1.0830 1.0830 1.9066 1.9066 1.9692 1.9692 2.0232 2.0232 2.0444 2.0444 2.4444 2.4444 2.5972 2.5972 6.2791 6.2791 13.1870 13.1870 13.2363 13.2363 k = 0.0306 0.0177-0.0000 ( 5201 PWs) bands (ev): -41.1479 -41.1479 -10.5952 -10.5952 0.9703 0.9703 1.0841 1.0841 1.9056 1.9056 1.9686 1.9686 2.0213 2.0213 2.0429 2.0429 2.4455 2.4455 2.5983 2.5983 6.2834 6.2834 13.1386 13.1386 13.2370 13.2370 k = 0.0408 0.0236-0.0000 ( 5201 PWs) bands (ev): -41.1479 -41.1479 -10.5942 -10.5942 0.9674 0.9674 1.0856 1.0856 1.9041 1.9041 1.9676 1.9676 2.0186 2.0186 2.0411 2.0411 2.4470 2.4470 2.5998 2.5998 6.2895 6.2895 13.0758 13.0758 13.2392 13.2392 k = 0.0510 0.0295-0.0000 ( 5193 PWs) bands (ev): -41.1478 -41.1478 -10.5930 -10.5930 0.9635 0.9635 1.0876 1.0876 1.9022 1.9022 1.9662 1.9662 2.0148 2.0148 2.0392 2.0392 2.4488 2.4488 2.6018 2.6018 6.2973 6.2973 13.0026 13.0026 13.2423 13.2423 k = 0.0612 0.0353-0.0000 ( 5189 PWs) bands (ev): -41.1478 -41.1478 -10.5914 -10.5914 0.9588 0.9588 1.0899 1.0899 1.9000 1.9000 1.9644 1.9644 2.0100 2.0100 2.0375 2.0375 2.4510 2.4510 2.6042 2.6042 6.3067 6.3067 12.9220 12.9220 13.2461 13.2461 k = 0.0714 0.0412-0.0000 ( 5190 PWs) bands (ev): -41.1478 -41.1478 -10.5897 -10.5897 0.9532 0.9532 1.0927 1.0927 1.8974 1.8974 1.9621 1.9621 2.0042 2.0042 2.0360 2.0360 2.4534 2.4534 2.6070 2.6070 6.3180 6.3180 12.8360 12.8360 13.2504 13.2504 k = 0.0816 0.0471-0.0000 ( 5182 PWs) bands (ev): -41.1478 -41.1478 -10.5876 -10.5876 0.9467 0.9467 1.0959 1.0959 1.8945 1.8945 1.9591 1.9591 1.9978 1.9978 2.0347 2.0347 2.4561 2.4561 2.6103 2.6103 6.3309 6.3309 12.7462 12.7462 13.2551 13.2551 k = 0.0918 0.0530-0.0000 ( 5188 PWs) bands (ev): -41.1478 -41.1478 -10.5853 -10.5853 0.9392 0.9392 1.0995 1.0995 1.8913 1.8913 1.9551 1.9551 1.9910 1.9910 2.0336 2.0336 2.4589 2.4589 2.6140 2.6140 6.3455 6.3455 12.6535 12.6535 13.2600 13.2600 k = 0.1020 0.0589-0.0000 ( 5180 PWs) bands (ev): -41.1477 -41.1477 -10.5828 -10.5828 0.9308 0.9308 1.1035 1.1035 1.8878 1.8878 1.9498 1.9498 1.9844 1.9844 2.0327 2.0327 2.4620 2.4620 2.6181 2.6181 6.3619 6.3619 12.5586 12.5586 13.2651 13.2651 k = 0.1122 0.0648-0.0000 ( 5186 PWs) bands (ev): -41.1477 -41.1477 -10.5800 -10.5800 0.9214 0.9214 1.1079 1.1079 1.8840 1.8840 1.9429 1.9429 1.9784 1.9784 2.0319 2.0319 2.4652 2.4652 2.6225 2.6225 6.3799 6.3799 12.4621 12.4621 13.2702 13.2702 k = 0.1224 0.0707-0.0000 ( 5184 PWs) bands (ev): -41.1477 -41.1477 -10.5770 -10.5770 0.9110 0.9110 1.1127 1.1127 1.8801 1.8801 1.9344 1.9344 1.9731 1.9731 2.0313 2.0313 2.4686 2.4686 2.6273 2.6273 6.3997 6.3997 12.3644 12.3644 13.2752 13.2752 k = 0.1327 0.0766-0.0000 ( 5184 PWs) bands (ev): -41.1476 -41.1476 -10.5738 -10.5738 0.8996 0.8996 1.1178 1.1178 1.8760 1.8760 1.9243 1.9243 1.9685 1.9685 2.0309 2.0309 2.4721 2.4721 2.6325 2.6325 6.4211 6.4211 12.2656 12.2656 13.2800 13.2800 k = 0.1429 0.0825-0.0000 ( 5186 PWs) bands (ev): -41.1476 -41.1476 -10.5704 -10.5704 0.8873 0.8873 1.1233 1.1233 1.8718 1.8718 1.9131 1.9131 1.9645 1.9645 2.0306 2.0306 2.4758 2.4758 2.6380 2.6380 6.4443 6.4443 12.1660 12.1660 13.2844 13.2844 k = 0.1531 0.0884-0.0000 ( 5182 PWs) bands (ev): -41.1475 -41.1475 -10.5668 -10.5668 0.8740 0.8740 1.1291 1.1291 1.8675 1.8675 1.9010 1.9010 1.9607 1.9607 2.0304 2.0304 2.4797 2.4797 2.6437 2.6437 6.4692 6.4692 12.0655 12.0655 13.2883 13.2883 k = 0.1633 0.0943-0.0000 ( 5174 PWs) bands (ev): -41.1475 -41.1475 -10.5631 -10.5631 0.8598 0.8598 1.1352 1.1352 1.8631 1.8631 1.8882 1.8882 1.9571 1.9571 2.0303 2.0303 2.4837 2.4837 2.6497 2.6497 6.4958 6.4958 11.9643 11.9643 13.2917 13.2917 k = 0.1735 0.1002-0.0000 ( 5170 PWs) bands (ev): -41.1474 -41.1474 -10.5591 -10.5591 0.8446 0.8446 1.1416 1.1416 1.8585 1.8585 1.8751 1.8751 1.9536 1.9536 2.0302 2.0302 2.4879 2.4879 2.6559 2.6559 6.5241 6.5241 11.8623 11.8623 13.2943 13.2943 k = 0.1837 0.1060-0.0000 ( 5170 PWs) bands (ev): -41.1474 -41.1474 -10.5551 -10.5551 0.8287 0.8287 1.1483 1.1483 1.8533 1.8533 1.8622 1.8622 1.9502 1.9502 2.0303 2.0303 2.4923 2.4923 2.6623 2.6623 6.5542 6.5542 11.7596 11.7596 13.2962 13.2962 k = 0.1939 0.1119-0.0000 ( 5168 PWs) bands (ev): -41.1473 -41.1473 -10.5509 -10.5509 0.8119 0.8119 1.1553 1.1553 1.8444 1.8444 1.8528 1.8528 1.9467 1.9467 2.0303 2.0303 2.4969 2.4969 2.6688 2.6688 6.5860 6.5860 11.6562 11.6562 13.2973 13.2973 k = 0.2041 0.1178-0.0000 ( 5164 PWs) bands (ev): -41.1473 -41.1473 -10.5466 -10.5466 0.7943 0.7943 1.1626 1.1626 1.8313 1.8313 1.8475 1.8475 1.9432 1.9432 2.0304 2.0304 2.5017 2.5017 2.6755 2.6755 6.6195 6.6195 11.5520 11.5520 13.2976 13.2976 k = 0.2143 0.1237-0.0000 ( 5168 PWs) bands (ev): -41.1472 -41.1472 -10.5422 -10.5422 0.7761 0.7761 1.1700 1.1700 1.8172 1.8172 1.8430 1.8430 1.9397 1.9397 2.0306 2.0306 2.5068 2.5068 2.6822 2.6822 6.6549 6.6549 11.4471 11.4471 13.2970 13.2970 k = 0.2245 0.1296-0.0000 ( 5162 PWs) bands (ev): -41.1472 -41.1472 -10.5378 -10.5378 0.7573 0.7573 1.1777 1.1777 1.8029 1.8029 1.8388 1.8388 1.9362 1.9362 2.0307 2.0307 2.5121 2.5121 2.6890 2.6890 6.6920 6.6920 11.3414 11.3414 13.2954 13.2954 k = 0.2347 0.1355-0.0000 ( 5160 PWs) bands (ev): -41.1471 -41.1471 -10.5333 -10.5333 0.7380 0.7380 1.1855 1.1855 1.7885 1.7885 1.8347 1.8347 1.9327 1.9327 2.0308 2.0308 2.5177 2.5177 2.6958 2.6958 6.7309 6.7309 11.2349 11.2349 13.2930 13.2930 k = 0.2449 0.1414-0.0000 ( 5160 PWs) bands (ev): -41.1471 -41.1471 -10.5287 -10.5287 0.7183 0.7183 1.1935 1.1935 1.7742 1.7742 1.8307 1.8307 1.9292 1.9292 2.0309 2.0309 2.5235 2.5235 2.7027 2.7027 6.7717 6.7717 11.1277 11.1277 13.2897 13.2897 k = 0.2551 0.1473-0.0000 ( 5156 PWs) bands (ev): -41.1470 -41.1470 -10.5241 -10.5241 0.6983 0.6983 1.2017 1.2017 1.7600 1.7600 1.8268 1.8268 1.9257 1.9257 2.0309 2.0309 2.5295 2.5295 2.7095 2.7095 6.8144 6.8144 11.0199 11.0199 13.2856 13.2856 k = 0.2653 0.1532-0.0000 ( 5146 PWs) bands (ev): -41.1470 -41.1470 -10.5196 -10.5196 0.6781 0.6781 1.2099 1.2099 1.7460 1.7460 1.8230 1.8230 1.9222 1.9222 2.0309 2.0309 2.5357 2.5357 2.7162 2.7162 6.8589 6.8589 10.9113 10.9113 13.2807 13.2807 k = 0.2755 0.1591-0.0000 ( 5146 PWs) bands (ev): -41.1469 -41.1469 -10.5150 -10.5150 0.6578 0.6578 1.2182 1.2182 1.7322 1.7322 1.8191 1.8191 1.9187 1.9187 2.0308 2.0308 2.5422 2.5422 2.7229 2.7229 6.9053 6.9053 10.8022 10.8022 13.2752 13.2752 k = 0.2857 0.1650-0.0000 ( 5150 PWs) bands (ev): -41.1469 -41.1469 -10.5105 -10.5105 0.6375 0.6375 1.2266 1.2266 1.7188 1.7188 1.8153 1.8153 1.9153 1.9153 2.0307 2.0307 2.5488 2.5488 2.7295 2.7295 6.9536 6.9536 10.6925 10.6925 13.2689 13.2689 k = 0.2959 0.1708-0.0000 ( 5158 PWs) bands (ev): -41.1468 -41.1468 -10.5060 -10.5060 0.6173 0.6173 1.2350 1.2350 1.7056 1.7056 1.8116 1.8116 1.9119 1.9119 2.0305 2.0305 2.5555 2.5555 2.7359 2.7359 7.0039 7.0039 10.5825 10.5825 13.2622 13.2622 k = 0.3061 0.1767-0.0000 ( 5154 PWs) bands (ev): -41.1468 -41.1468 -10.5016 -10.5016 0.5973 0.5973 1.2434 1.2434 1.6928 1.6928 1.8078 1.8078 1.9087 1.9087 2.0302 2.0302 2.5623 2.5623 2.7423 2.7423 7.0562 7.0562 10.4721 10.4721 13.2550 13.2550 k = 0.3163 0.1826-0.0000 ( 5152 PWs) bands (ev): -41.1467 -41.1467 -10.4973 -10.4973 0.5777 0.5777 1.2517 1.2517 1.6804 1.6804 1.8041 1.8041 1.9055 1.9055 2.0299 2.0299 2.5691 2.5691 2.7484 2.7484 7.1105 7.1105 10.3615 10.3615 13.2474 13.2474 k = 0.3265 0.1885-0.0000 ( 5156 PWs) bands (ev): -41.1467 -41.1467 -10.4932 -10.4932 0.5584 0.5584 1.2599 1.2599 1.6685 1.6685 1.8003 1.8003 1.9024 1.9024 2.0295 2.0295 2.5760 2.5760 2.7544 2.7544 7.1667 7.1667 10.2509 10.2509 13.2395 13.2395 k = 0.3367 0.1944-0.0000 ( 5156 PWs) bands (ev): -41.1466 -41.1466 -10.4891 -10.4891 0.5397 0.5397 1.2680 1.2680 1.6571 1.6571 1.7966 1.7966 1.8995 1.8995 2.0291 2.0291 2.5828 2.5828 2.7601 2.7601 7.2250 7.2250 10.1403 10.1403 13.2315 13.2315 k = 0.3469 0.2003-0.0000 ( 5146 PWs) bands (ev): -41.1466 -41.1466 -10.4852 -10.4852 0.5216 0.5216 1.2760 1.2760 1.6462 1.6462 1.7930 1.7930 1.8967 1.8967 2.0286 2.0286 2.5895 2.5895 2.7656 2.7656 7.2854 7.2854 10.0299 10.0299 13.2234 13.2234 k = 0.3571 0.2062-0.0000 ( 5146 PWs) bands (ev): -41.1465 -41.1465 -10.4814 -10.4814 0.5042 0.5042 1.2837 1.2837 1.6359 1.6359 1.7893 1.7893 1.8940 1.8940 2.0281 2.0281 2.5960 2.5960 2.7709 2.7709 7.3477 7.3477 9.9199 9.9199 13.2153 13.2153 k = 0.3673 0.2121-0.0000 ( 5150 PWs) bands (ev): -41.1465 -41.1465 -10.4779 -10.4779 0.4877 0.4877 1.2912 1.2912 1.6261 1.6261 1.7857 1.7857 1.8915 1.8915 2.0276 2.0276 2.6024 2.6024 2.7759 2.7759 7.4122 7.4122 9.8104 9.8104 13.2073 13.2073 k = 0.3776 0.2180-0.0000 ( 5152 PWs) bands (ev): -41.1465 -41.1465 -10.4745 -10.4745 0.4720 0.4720 1.2984 1.2984 1.6169 1.6169 1.7822 1.7822 1.8891 1.8891 2.0270 2.0270 2.6085 2.6085 2.7806 2.7806 7.4786 7.4786 9.7015 9.7015 13.1995 13.1995 k = 0.3878 0.2239-0.0000 ( 5144 PWs) bands (ev): -41.1464 -41.1464 -10.4713 -10.4713 0.4572 0.4572 1.3053 1.3053 1.6084 1.6084 1.7788 1.7788 1.8869 1.8869 2.0265 2.0265 2.6144 2.6144 2.7851 2.7851 7.5471 7.5471 9.5934 9.5934 13.1920 13.1920 k = 0.3980 0.2298-0.0000 ( 5146 PWs) bands (ev): -41.1464 -41.1464 -10.4684 -10.4684 0.4435 0.4435 1.3118 1.3118 1.6006 1.6006 1.7755 1.7755 1.8849 1.8849 2.0259 2.0259 2.6198 2.6198 2.7892 2.7892 7.6175 7.6175 9.4863 9.4863 13.1849 13.1849 k = 0.4082 0.2357-0.0000 ( 5154 PWs) bands (ev): -41.1464 -41.1464 -10.4657 -10.4657 0.4309 0.4309 1.3178 1.3178 1.5934 1.5934 1.7724 1.7724 1.8831 1.8831 2.0254 2.0254 2.6250 2.6250 2.7930 2.7930 7.6899 7.6899 9.3804 9.3804 13.1783 13.1783 k = 0.4184 0.2415-0.0000 ( 5158 PWs) bands (ev): -41.1463 -41.1463 -10.4633 -10.4633 0.4195 0.4195 1.3234 1.3234 1.5870 1.5870 1.7695 1.7695 1.8815 1.8815 2.0249 2.0249 2.6296 2.6296 2.7964 2.7964 7.7641 7.7641 9.2758 9.2758 13.1721 13.1721 k = 0.4286 0.2474-0.0000 ( 5154 PWs) bands (ev): -41.1463 -41.1463 -10.4611 -10.4611 0.4092 0.4092 1.3284 1.3284 1.5812 1.5812 1.7668 1.7668 1.8800 1.8800 2.0245 2.0245 2.6339 2.6339 2.7994 2.7994 7.8400 7.8400 9.1729 9.1729 13.1665 13.1665 k = 0.4388 0.2533-0.0000 ( 5156 PWs) bands (ev): -41.1463 -41.1463 -10.4592 -10.4592 0.4003 0.4003 1.3329 1.3329 1.5762 1.5762 1.7644 1.7644 1.8788 1.8788 2.0240 2.0240 2.6376 2.6376 2.8021 2.8021 7.9174 7.9174 9.0719 9.0719 13.1615 13.1615 k = 0.4490 0.2592-0.0000 ( 5154 PWs) bands (ev): -41.1463 -41.1463 -10.4575 -10.4575 0.3926 0.3926 1.3368 1.3368 1.5720 1.5720 1.7623 1.7623 1.8777 1.8777 2.0237 2.0237 2.6408 2.6408 2.8044 2.8044 7.9958 7.9958 8.9733 8.9733 13.1573 13.1573 k = 0.4592 0.2651-0.0000 ( 5148 PWs) bands (ev): -41.1463 -41.1463 -10.4562 -10.4562 0.3863 0.3863 1.3400 1.3400 1.5685 1.5685 1.7605 1.7605 1.8769 1.8769 2.0234 2.0234 2.6435 2.6435 2.8063 2.8063 8.0746 8.0746 8.8779 8.8779 13.1537 13.1537 k = 0.4694 0.2710-0.0000 ( 5150 PWs) bands (ev): -41.1462 -41.1462 -10.4551 -10.4551 0.3813 0.3813 1.3426 1.3426 1.5658 1.5658 1.7591 1.7591 1.8762 1.8762 2.0231 2.0231 2.6455 2.6455 2.8078 2.8078 8.1523 8.1523 8.7873 8.7873 13.1509 13.1509 k = 0.4796 0.2769-0.0000 ( 5146 PWs) bands (ev): -41.1462 -41.1462 -10.4544 -10.4544 0.3778 0.3778 1.3444 1.3444 1.5638 1.5638 1.7580 1.7580 1.8757 1.8757 2.0229 2.0229 2.6470 2.6470 2.8088 2.8088 8.2255 8.2255 8.7048 8.7048 13.1489 13.1489 k = 0.4898 0.2828-0.0000 ( 5146 PWs) bands (ev): -41.1462 -41.1462 -10.4539 -10.4539 0.3757 0.3757 1.3455 1.3455 1.5626 1.5626 1.7574 1.7574 1.8754 1.8754 2.0228 2.0228 2.6480 2.6480 2.8095 2.8095 8.2852 8.2852 8.6396 8.6396 13.1477 13.1477 k = 0.5000 0.2887-0.0000 ( 5160 PWs) bands (ev): -41.1462 -41.1462 -10.4538 -10.4538 0.3749 0.3749 1.3459 1.3459 1.5622 1.5622 1.7572 1.7572 1.8753 1.8753 2.0228 2.0228 2.6483 2.6483 2.8097 2.8097 8.3107 8.3107 8.6121 8.6121 13.1472 13.1472 k = 0.5000 0.2887-0.0000 ( 5160 PWs) bands (ev): -41.1462 -41.1462 -10.4538 -10.4538 0.3749 0.3749 1.3459 1.3459 1.5622 1.5622 1.7572 1.7572 1.8753 1.8753 2.0228 2.0228 2.6483 2.6483 2.8097 2.8097 8.3107 8.3107 8.6121 8.6121 13.1472 13.1472 k = 0.4940 0.2990-0.0000 ( 5144 PWs) bands (ev): -41.1462 -41.1462 -10.4537 -10.4537 0.3750 0.3756 1.3459 1.3460 1.5587 1.5590 1.7569 1.7580 1.8754 1.8773 2.0243 2.0245 2.6477 2.6485 2.8091 2.8099 8.3116 8.3118 8.6135 8.6136 13.1084 13.1105 k = 0.4881 0.3093-0.0000 ( 5142 PWs) bands (ev): -41.1462 -41.1462 -10.4536 -10.4536 0.3757 0.3768 1.3462 1.3462 1.5489 1.5494 1.7572 1.7594 1.8773 1.8811 2.0290 2.0294 2.6468 2.6485 2.8083 2.8099 8.3145 8.3148 8.6175 8.6178 13.0177 13.0206 k = 0.4821 0.3196-0.0000 ( 5138 PWs) bands (ev): -41.1462 -41.1462 -10.4533 -10.4533 0.3770 0.3787 1.3465 1.3466 1.5335 1.5342 1.7577 1.7610 1.8805 1.8860 2.0369 2.0375 2.6457 2.6483 2.8072 2.8095 8.3193 8.3197 8.6244 8.6247 12.9040 12.9069 k = 0.4762 0.3299-0.0000 ( 5146 PWs) bands (ev): -41.1462 -41.1462 -10.4529 -10.4529 0.3790 0.3812 1.3470 1.3472 1.5138 1.5144 1.7584 1.7627 1.8841 1.8910 2.0479 2.0488 2.6443 2.6477 2.8058 2.8089 8.3261 8.3266 8.6339 8.6344 12.7798 12.7825 k = 0.4702 0.3402-0.0000 ( 5150 PWs) bands (ev): -41.1462 -41.1462 -10.4525 -10.4525 0.3816 0.3844 1.3476 1.3479 1.4906 1.4912 1.7591 1.7644 1.8875 1.8957 2.0618 2.0630 2.6426 2.6468 2.8041 2.8081 8.3348 8.3354 8.6461 8.6467 12.6502 12.6525 k = 0.4643 0.3505-0.0000 ( 5146 PWs) bands (ev): -41.1462 -41.1462 -10.4519 -10.4519 0.3848 0.3882 1.3483 1.3487 1.4650 1.4655 1.7597 1.7661 1.8903 1.8997 2.0782 2.0798 2.6406 2.6457 2.8022 2.8069 8.3454 8.3462 8.6610 8.6617 12.5174 12.5194 k = 0.4583 0.3608-0.0000 ( 5142 PWs) bands (ev): -41.1462 -41.1462 -10.4513 -10.4513 0.3886 0.3926 1.3490 1.3497 1.4376 1.4379 1.7604 1.7677 1.8922 1.9027 2.0967 2.0987 2.6383 2.6444 2.8000 2.8055 8.3579 8.3588 8.6784 8.6793 12.3828 12.3844 k = 0.4524 0.3712-0.0000 ( 5142 PWs) bands (ev): -41.1462 -41.1462 -10.4506 -10.4506 0.3930 0.3976 1.3494 1.3506 1.4089 1.4094 1.7610 1.7693 1.8934 1.9049 2.1167 2.1191 2.6358 2.6427 2.7975 2.8039 8.3722 8.3734 8.6984 8.6994 12.2469 12.2482 k = 0.4464 0.3815-0.0000 ( 5138 PWs) bands (ev): -41.1462 -41.1462 -10.4498 -10.4498 0.3980 0.4032 1.3482 1.3509 1.3801 1.3816 1.7616 1.7710 1.8938 1.9063 2.1378 2.1405 2.6330 2.6409 2.7948 2.8020 8.3885 8.3898 8.7208 8.7220 12.1104 12.1114 k = 0.4405 0.3918-0.0000 ( 5154 PWs) bands (ev): -41.1462 -41.1462 -10.4489 -10.4489 0.4034 0.4093 1.3376 1.3433 1.3588 1.3628 1.7622 1.7726 1.8936 1.9071 2.1595 2.1626 2.6300 2.6388 2.7918 2.7999 8.4065 8.4081 8.7455 8.7469 11.9737 11.9743 k = 0.4345 0.4021-0.0000 ( 5154 PWs) bands (ev): -41.1462 -41.1462 -10.4480 -10.4480 0.4093 0.4159 1.3116 1.3161 1.3570 1.3593 1.7627 1.7742 1.8929 1.9074 2.1817 2.1851 2.6267 2.6364 2.7887 2.7977 8.4264 8.4281 8.7725 8.7740 11.8371 11.8374 k = 0.4286 0.4124-0.0000 ( 5156 PWs) bands (ev): -41.1462 -41.1462 -10.4470 -10.4470 0.4157 0.4229 1.2816 1.2861 1.3581 1.3596 1.7633 1.7759 1.8917 1.9073 2.2039 2.2076 2.6231 2.6339 2.7853 2.7952 8.4480 8.4500 8.8015 8.8033 11.7009 11.7010 k = 0.4226 0.4227-0.0000 ( 5150 PWs) bands (ev): -41.1462 -41.1461 -10.4460 -10.4460 0.4224 0.4304 1.2512 1.2559 1.3596 1.3608 1.7638 1.7776 1.8901 1.9069 2.2260 2.2299 2.6193 2.6312 2.7818 2.7926 8.4714 8.4736 8.8326 8.8346 11.5655 11.5656 k = 0.4167 0.4330-0.0000 ( 5154 PWs) bands (ev): -41.1461 -41.1461 -10.4450 -10.4450 0.4295 0.4383 1.2209 1.2262 1.3613 1.3623 1.7643 1.7793 1.8883 1.9062 2.2478 2.2518 2.6154 2.6283 2.7781 2.7898 8.4965 8.4990 8.8653 8.8676 11.4311 11.4314 k = 0.4107 0.4433-0.0000 ( 5150 PWs) bands (ev): -41.1461 -41.1461 -10.4439 -10.4439 0.4368 0.4464 1.1911 1.1971 1.3631 1.3639 1.7648 1.7810 1.8862 1.9053 2.2691 2.2732 2.6112 2.6253 2.7743 2.7870 8.5232 8.5260 8.8997 8.9022 11.2982 11.2988 k = 0.4048 0.4536-0.0000 ( 5146 PWs) bands (ev): -41.1461 -41.1461 -10.4429 -10.4429 0.4443 0.4548 1.1621 1.1688 1.3649 1.3657 1.7653 1.7828 1.8840 1.9043 2.2898 2.2939 2.6069 2.6222 2.7704 2.7840 8.5516 8.5547 8.9353 8.9382 11.1674 11.1681 k = 0.3988 0.4639-0.0000 ( 5148 PWs) bands (ev): -41.1461 -41.1461 -10.4419 -10.4419 0.4519 0.4633 1.1341 1.1416 1.3667 1.3674 1.7658 1.7845 1.8816 1.9031 2.3097 2.3137 2.6025 2.6190 2.7664 2.7811 8.5815 8.5850 8.9718 8.9751 11.0390 11.0398 k = 0.3929 0.4743-0.0000 ( 5140 PWs) bands (ev): -41.1461 -41.1461 -10.4409 -10.4409 0.4595 0.4718 1.1074 1.1158 1.3686 1.3692 1.7661 1.7861 1.8792 1.9020 2.3287 2.3326 2.5980 2.6159 2.7625 2.7781 8.6129 8.6168 9.0088 9.0126 10.9136 10.9145 k = 0.3869 0.4846-0.0000 ( 5144 PWs) bands (ev): -41.1461 -41.1461 -10.4399 -10.4399 0.4669 0.4802 1.0821 1.0914 1.3704 1.3710 1.7665 1.7878 1.8768 1.9008 2.3467 2.3503 2.5936 2.6128 2.7585 2.7751 8.6457 8.6501 9.0459 9.0501 10.7919 10.7930 k = 0.3810 0.4949-0.0000 ( 5144 PWs) bands (ev): -41.1461 -41.1461 -10.4390 -10.4390 0.4741 0.4884 1.0585 1.0688 1.3721 1.3727 1.7668 1.7893 1.8744 1.8996 2.3634 2.3667 2.5891 2.6099 2.7547 2.7723 8.6797 8.6847 9.0821 9.0869 10.6749 10.6760 k = 0.3750 0.5052-0.0000 ( 5144 PWs) bands (ev): -41.1461 -41.1461 -10.4381 -10.4381 0.4809 0.4962 1.0369 1.0482 1.3737 1.3743 1.7670 1.7907 1.8721 1.8985 2.3789 2.3816 2.5849 2.6072 2.7510 2.7695 8.7148 8.7204 9.1166 9.1222 10.5637 10.5648 k = 0.3690 0.5155-0.0000 ( 5142 PWs) bands (ev): -41.1461 -41.1460 -10.4373 -10.4373 0.4871 0.5033 1.0176 1.0298 1.3752 1.3758 1.7672 1.7920 1.8700 1.8975 2.3928 2.3949 2.5809 2.6048 2.7475 2.7670 8.7508 8.7571 9.1481 9.1546 10.4599 10.4610 k = 0.3631 0.5258-0.0000 ( 5144 PWs) bands (ev): -41.1460 -41.1460 -10.4366 -10.4366 0.4926 0.5098 1.0007 1.0138 1.3766 1.3771 1.7673 1.7932 1.8681 1.8966 2.4049 2.4064 2.5773 2.6029 2.7443 2.7647 8.7871 8.7944 9.1750 9.1826 10.3655 10.3665 k = 0.3571 0.5361-0.0000 ( 5152 PWs) bands (ev): -41.1460 -41.1460 -10.4360 -10.4360 0.4973 0.5152 0.9865 1.0004 1.3778 1.3783 1.7674 1.7941 1.8665 1.8958 2.4151 2.4158 2.5742 2.6014 2.7415 2.7627 8.8232 8.8316 9.1954 9.2043 10.2831 10.2839 k = 0.3512 0.5464-0.0000 ( 5152 PWs) bands (ev): -41.1460 -41.1460 -10.4355 -10.4355 0.5009 0.5196 0.9753 0.9899 1.3788 1.3792 1.7674 1.7949 1.8651 1.8952 2.4231 2.4232 2.5718 2.6004 2.7392 2.7610 8.8579 8.8676 9.2075 9.2180 10.2157 10.2162 k = 0.3452 0.5567-0.0000 ( 5152 PWs) bands (ev): -41.1460 -41.1460 -10.4351 -10.4351 0.5036 0.5228 0.9672 0.9823 1.3795 1.3800 1.7674 1.7954 1.8642 1.8947 2.4284 2.4289 2.5701 2.5999 2.7374 2.7598 8.8890 8.9004 9.2105 9.2229 10.1661 10.1664 k = 0.3393 0.5670-0.0000 ( 5144 PWs) bands (ev): -41.1460 -41.1460 -10.4349 -10.4349 0.5051 0.5246 0.9623 0.9777 1.3800 1.3804 1.7674 1.7957 1.8636 1.8944 2.4314 2.4323 2.5691 2.5997 2.7363 2.7590 8.9126 8.9257 9.2066 9.2208 10.1364 10.1365 k = 0.3333 0.5774-0.0000 ( 5136 PWs) bands (ev): -41.1460 -41.1460 -10.4348 -10.4348 0.5056 0.5253 0.9607 0.9762 1.3802 1.3806 1.7674 1.7958 1.8634 1.8943 2.4324 2.4334 2.5689 2.5997 2.7359 2.7588 8.9223 8.9362 9.2029 9.2181 10.1267 10.1268 k = 0.3333 0.5774-0.0000 ( 5136 PWs) bands (ev): -41.1460 -41.1460 -10.4348 -10.4348 0.5056 0.5253 0.9607 0.9762 1.3802 1.3806 1.7674 1.7958 1.8634 1.8943 2.4324 2.4334 2.5689 2.5997 2.7359 2.7588 8.9223 8.9362 9.2029 9.2181 10.1267 10.1268 k = 0.3274 0.5670-0.0000 ( 5142 PWs) bands (ev): -41.1460 -41.1460 -10.4349 -10.4349 0.5052 0.5247 0.9622 0.9777 1.3800 1.3804 1.7674 1.7957 1.8636 1.8944 2.4315 2.4324 2.5691 2.5996 2.7363 2.7590 8.9105 8.9233 9.2098 9.2238 10.1356 10.1357 k = 0.3214 0.5567-0.0000 ( 5146 PWs) bands (ev): -41.1460 -41.1460 -10.4352 -10.4352 0.5039 0.5231 0.9669 0.9820 1.3795 1.3799 1.7675 1.7955 1.8642 1.8947 2.4289 2.4294 2.5695 2.5994 2.7374 2.7598 8.8744 8.8846 9.2321 9.2434 10.1603 10.1606 k = 0.3155 0.5464-0.0000 ( 5146 PWs) bands (ev): -41.1460 -41.1460 -10.4356 -10.4356 0.5020 0.5208 0.9744 0.9891 1.3785 1.3790 1.7676 1.7951 1.8651 1.8952 2.4247 2.4249 2.5700 2.5988 2.7393 2.7611 8.8184 8.8259 9.2673 9.2756 10.1978 10.1983 k = 0.3095 0.5361-0.0000 ( 5146 PWs) bands (ev): -41.1460 -41.1460 -10.4362 -10.4362 0.4997 0.5179 0.9846 0.9986 1.3772 1.3777 1.7679 1.7948 1.8663 1.8958 2.4189 2.4193 2.5703 2.5977 2.7417 2.7628 8.7488 8.7543 9.3108 9.3167 10.2454 10.2463 k = 0.3036 0.5258-0.0000 ( 5138 PWs) bands (ev): -41.1460 -41.1460 -10.4370 -10.4370 0.4973 0.5147 0.9971 1.0105 1.3754 1.3759 1.7683 1.7944 1.8678 1.8966 2.4118 2.4128 2.5703 2.5961 2.7447 2.7648 8.6709 8.6749 9.3596 9.3637 10.3012 10.3023 k = 0.2976 0.5155-0.0000 ( 5142 PWs) bands (ev): -41.1461 -41.1461 -10.4380 -10.4380 0.4949 0.5115 1.0118 1.0244 1.3732 1.3738 1.7688 1.7941 1.8696 1.8976 2.4037 2.4053 2.5699 2.5941 2.7479 2.7671 8.5879 8.5909 9.4122 9.4148 10.3634 10.3649 k = 0.2917 0.5052-0.0000 ( 5140 PWs) bands (ev): -41.1461 -41.1461 -10.4392 -10.4392 0.4927 0.5086 1.0284 1.0401 1.3706 1.3711 1.7695 1.7940 1.8715 1.8987 2.3948 2.3970 2.5690 2.5917 2.7513 2.7695 8.5021 8.5043 9.4675 9.4690 10.4309 10.4327 k = 0.2857 0.4949-0.0000 ( 5134 PWs) bands (ev): -41.1461 -41.1461 -10.4406 -10.4406 0.4910 0.5061 1.0466 1.0575 1.3674 1.3680 1.7704 1.7939 1.8737 1.8999 2.3853 2.3879 2.5678 2.5889 2.7547 2.7720 8.4149 8.4165 9.5251 9.5257 10.5029 10.5050 k = 0.2798 0.4846-0.0000 ( 5142 PWs) bands (ev): -41.1461 -41.1461 -10.4423 -10.4423 0.4899 0.5042 1.0663 1.0764 1.3638 1.3645 1.7715 1.7941 1.8760 1.9013 2.3751 2.3782 2.5661 2.5857 2.7580 2.7743 8.3274 8.3285 9.5845 9.5847 10.5787 10.5811 k = 0.2738 0.4743-0.0000 ( 5148 PWs) bands (ev): -41.1461 -41.1461 -10.4441 -10.4441 0.4896 0.5030 1.0873 1.0966 1.3598 1.3605 1.7729 1.7944 1.8784 1.9028 2.3644 2.3680 2.5641 2.5824 2.7610 2.7766 8.2401 8.2409 9.6450 9.6459 10.6578 10.6604 k = 0.2679 0.4639-0.0000 ( 5152 PWs) bands (ev): -41.1462 -41.1462 -10.4462 -10.4462 0.4901 0.5028 1.1095 1.1180 1.3553 1.3560 1.7744 1.7950 1.8809 1.9044 2.3533 2.3572 2.5618 2.5789 2.7637 2.7785 8.1537 8.1543 9.7073 9.7087 10.7399 10.7427 k = 0.2619 0.4536-0.0000 ( 5143 PWs) bands (ev): -41.1462 -41.1462 -10.4484 -10.4484 0.4915 0.5035 1.1327 1.1404 1.3503 1.3511 1.7762 1.7958 1.8834 1.9060 2.3418 2.3460 2.5592 2.5752 2.7659 2.7801 8.0684 8.0688 9.7710 9.7730 10.8245 10.8276 k = 0.2560 0.4433-0.0000 ( 5153 PWs) bands (ev): -41.1462 -41.1462 -10.4509 -10.4509 0.4940 0.5053 1.1567 1.1637 1.3449 1.3458 1.7781 1.7968 1.8861 1.9078 2.3299 2.3345 2.5565 2.5715 2.7677 2.7813 7.9847 7.9849 9.8362 9.8386 10.9115 10.9148 k = 0.2500 0.4330-0.0000 ( 5149 PWs) bands (ev): -41.1462 -41.1462 -10.4536 -10.4536 0.4976 0.5081 1.1815 1.1877 1.3392 1.3402 1.7803 1.7980 1.8887 1.9096 2.3178 2.3226 2.5535 2.5677 2.7689 2.7821 7.9026 7.9027 9.9027 9.9055 11.0006 11.0041 k = 0.2440 0.4227-0.0000 ( 5155 PWs) bands (ev): -41.1463 -41.1463 -10.4565 -10.4565 0.5022 0.5121 1.2069 1.2125 1.3330 1.3341 1.7827 1.7995 1.8914 1.9115 2.3054 2.3105 2.5505 2.5639 2.7696 2.7824 7.8224 7.8224 9.9704 9.9736 11.0917 11.0954 k = 0.2381 0.4124-0.0000 ( 5147 PWs) bands (ev): -41.1463 -41.1463 -10.4595 -10.4595 0.5080 0.5173 1.2328 1.2378 1.3266 1.3279 1.7853 1.8011 1.8942 1.9134 2.2928 2.2981 2.5474 2.5602 2.7696 2.7821 7.7440 7.7441 10.0394 10.0429 11.1845 11.1883 k = 0.2321 0.4021-0.0000 ( 5147 PWs) bands (ev): -41.1463 -41.1463 -10.4628 -10.4628 0.5150 0.5236 1.2588 1.2635 1.3199 1.3217 1.7880 1.8030 1.8969 1.9154 2.2801 2.2855 2.5442 2.5565 2.7690 2.7814 7.6677 7.6678 10.1095 10.1133 11.2788 11.2828 k = 0.2262 0.3918-0.0000 ( 5155 PWs) bands (ev): -41.1464 -41.1464 -10.4663 -10.4663 0.5230 0.5311 1.2838 1.2888 1.3139 1.3167 1.7909 1.8050 1.8996 1.9174 2.2672 2.2728 2.5409 2.5528 2.7679 2.7800 7.5936 7.5937 10.1807 10.1848 11.3744 11.3786 k = 0.2202 0.3815-0.0000 ( 5159 PWs) bands (ev): -41.1464 -41.1464 -10.4699 -10.4699 0.5322 0.5397 1.2980 1.3015 1.3205 1.3226 1.7939 1.8072 1.9024 1.9194 2.2543 2.2601 2.5377 2.5492 2.7661 2.7781 7.5216 7.5217 10.2531 10.2574 11.4712 11.4755 k = 0.2143 0.3712-0.0000 ( 5147 PWs) bands (ev): -41.1465 -41.1465 -10.4737 -10.4737 0.5424 0.5494 1.2947 1.2957 1.3458 1.3460 1.7970 1.8095 1.9051 1.9215 2.2414 2.2472 2.5345 2.5457 2.7637 2.7757 7.4518 7.4520 10.3265 10.3309 11.5690 11.5734 k = 0.2083 0.3608-0.0000 ( 5151 PWs) bands (ev): -41.1465 -41.1465 -10.4776 -10.4776 0.5536 0.5601 1.2877 1.2881 1.3728 1.3731 1.8002 1.8120 1.9078 1.9236 2.2285 2.2344 2.5312 2.5423 2.7608 2.7728 7.3842 7.3844 10.4009 10.4055 11.6674 11.6719 k = 0.2024 0.3505-0.0000 ( 5151 PWs) bands (ev): -41.1465 -41.1465 -10.4817 -10.4817 0.5659 0.5719 1.2800 1.2801 1.4002 1.4009 1.8035 1.8145 1.9106 1.9258 2.2157 2.2216 2.5281 2.5389 2.7573 2.7693 7.3188 7.3190 10.4763 10.4811 11.7664 11.7709 k = 0.1964 0.3402-0.0000 ( 5147 PWs) bands (ev): -41.1466 -41.1466 -10.4860 -10.4860 0.5790 0.5846 1.2719 1.2719 1.4277 1.4291 1.8069 1.8171 1.9132 1.9279 2.2029 2.2089 2.5249 2.5356 2.7533 2.7653 7.2557 7.2559 10.5527 10.5576 11.8655 11.8701 k = 0.1905 0.3299-0.0000 ( 5151 PWs) bands (ev): -41.1466 -41.1466 -10.4903 -10.4903 0.5931 0.5982 1.2635 1.2636 1.4554 1.4574 1.8103 1.8198 1.9159 1.9301 2.1904 2.1964 2.5218 2.5325 2.7488 2.7608 7.1948 7.1950 10.6301 10.6351 11.9645 11.9692 k = 0.1845 0.3196-0.0000 ( 5151 PWs) bands (ev): -41.1467 -41.1467 -10.4947 -10.4947 0.6079 0.6125 1.2550 1.2552 1.4830 1.4857 1.8137 1.8225 1.9185 1.9323 2.1781 2.1840 2.5187 2.5293 2.7439 2.7560 7.1360 7.1362 10.7084 10.7135 12.0630 12.0678 k = 0.1786 0.3093-0.0000 ( 5143 PWs) bands (ev): -41.1467 -41.1467 -10.4992 -10.4992 0.6234 0.6276 1.2465 1.2467 1.5106 1.5140 1.8172 1.8253 1.9211 1.9345 2.1661 2.1719 2.5157 2.5263 2.7385 2.7507 7.0795 7.0797 10.7877 10.7928 12.1608 12.1657 k = 0.1726 0.2990-0.0000 ( 5161 PWs) bands (ev): -41.1468 -41.1468 -10.5038 -10.5038 0.6395 0.6434 1.2379 1.2381 1.5380 1.5422 1.8206 1.8281 1.9237 1.9367 2.1544 2.1601 2.5127 2.5233 2.7328 2.7450 7.0251 7.0252 10.8680 10.8730 12.2573 12.2623 k = 0.1667 0.2887-0.0000 ( 5155 PWs) bands (ev): -41.1468 -41.1468 -10.5085 -10.5085 0.6562 0.6597 1.2293 1.2295 1.5652 1.5701 1.8240 1.8309 1.9262 1.9390 2.1430 2.1487 2.5098 2.5204 2.7268 2.7390 6.9728 6.9730 10.9491 10.9542 12.3521 12.3572 k = 0.1607 0.2784-0.0000 ( 5161 PWs) bands (ev): -41.1469 -41.1469 -10.5132 -10.5132 0.6733 0.6764 1.2208 1.2210 1.5921 1.5978 1.8275 1.8337 1.9287 1.9412 2.1321 2.1377 2.5069 2.5175 2.7205 2.7327 6.9226 6.9228 11.0312 11.0363 12.4448 12.4500 k = 0.1548 0.2681-0.0000 ( 5153 PWs) bands (ev): -41.1469 -41.1469 -10.5179 -10.5179 0.6907 0.6935 1.2123 1.2125 1.6187 1.6252 1.8309 1.8365 1.9311 1.9435 2.1217 2.1270 2.5040 2.5146 2.7140 2.7261 6.8745 6.8746 11.1142 11.1192 12.5347 12.5401 k = 0.1488 0.2577-0.0000 ( 5157 PWs) bands (ev): -41.1470 -41.1470 -10.5226 -10.5226 0.7083 0.7108 1.2039 1.2041 1.6448 1.6521 1.8343 1.8393 1.9335 1.9458 2.1117 2.1169 2.5012 2.5118 2.7073 2.7194 6.8284 6.8286 11.1982 11.2031 12.6213 12.6268 k = 0.1429 0.2474-0.0000 ( 5159 PWs) bands (ev): -41.1471 -41.1471 -10.5273 -10.5273 0.7260 0.7282 1.1956 1.1958 1.6705 1.6787 1.8377 1.8421 1.9358 1.9482 2.1024 2.1073 2.4984 2.5089 2.7005 2.7124 6.7844 6.7845 11.2831 11.2879 12.7039 12.7097 k = 0.1369 0.2371-0.0000 ( 5159 PWs) bands (ev): -41.1471 -41.1471 -10.5320 -10.5320 0.7438 0.7457 1.1874 1.1876 1.6956 1.7046 1.8412 1.8450 1.9381 1.9506 2.0936 2.0982 2.4956 2.5060 2.6936 2.7053 6.7423 6.7424 11.3689 11.3737 12.7820 12.7879 k = 0.1310 0.2268-0.0000 ( 5157 PWs) bands (ev): -41.1472 -41.1472 -10.5366 -10.5366 0.7614 0.7631 1.1795 1.1796 1.7201 1.7300 1.8446 1.8478 1.9404 1.9530 2.0854 2.0898 2.4929 2.5031 2.6866 2.6981 6.7021 6.7022 11.4557 11.4603 12.8549 12.8610 k = 0.1250 0.2165-0.0000 ( 5161 PWs) bands (ev): -41.1472 -41.1472 -10.5411 -10.5411 0.7788 0.7802 1.1717 1.1718 1.7440 1.7548 1.8481 1.8508 1.9425 1.9554 2.0778 2.0819 2.4901 2.5002 2.6797 2.6909 6.6639 6.6640 11.5434 11.5479 12.9219 12.9282 k = 0.1190 0.2062-0.0000 ( 5169 PWs) bands (ev): -41.1473 -41.1473 -10.5456 -10.5456 0.7958 0.7971 1.1641 1.1642 1.7670 1.7788 1.8516 1.8538 1.9446 1.9579 2.0709 2.0746 2.4874 2.4972 2.6729 2.6837 6.6276 6.6276 11.6320 11.6364 12.9827 12.9892 k = 0.1131 0.1959-0.0000 ( 5169 PWs) bands (ev): -41.1473 -41.1473 -10.5500 -10.5500 0.8125 0.8135 1.1567 1.1568 1.7893 1.8021 1.8552 1.8568 1.9467 1.9604 2.0647 2.0680 2.4847 2.4941 2.6662 2.6765 6.5931 6.5931 11.7215 11.7258 13.0368 13.0434 k = 0.1071 0.1856-0.0000 ( 5173 PWs) bands (ev): -41.1474 -41.1474 -10.5543 -10.5543 0.8286 0.8295 1.1496 1.1497 1.8106 1.8245 1.8588 1.8600 1.9487 1.9630 2.0591 2.0620 2.4820 2.4910 2.6596 2.6694 6.5604 6.5605 11.8120 11.8160 13.0839 13.0906 k = 0.1012 0.1753-0.0000 ( 5173 PWs) bands (ev): -41.1474 -41.1474 -10.5584 -10.5584 0.8441 0.8448 1.1428 1.1429 1.8309 1.8460 1.8626 1.8632 1.9506 1.9656 2.0542 2.0567 2.4792 2.4877 2.6532 2.6624 6.5296 6.5296 11.9032 11.9071 13.1242 13.1308 k = 0.0952 0.1650-0.0000 ( 5173 PWs) bands (ev): -41.1475 -41.1475 -10.5624 -10.5624 0.8589 0.8595 1.1362 1.1363 1.8499 1.8665 1.8667 1.8668 1.9525 1.9683 2.0499 2.0520 2.4765 2.4844 2.6471 2.6556 6.5006 6.5006 11.9953 11.9990 13.1576 13.1642 k = 0.0893 0.1546-0.0000 ( 5177 PWs) bands (ev): -41.1475 -41.1475 -10.5662 -10.5662 0.8729 0.8734 1.1300 1.1301 1.8655 1.8700 1.8732 1.8861 1.9543 1.9712 2.0462 2.0479 2.4738 2.4810 2.6412 2.6489 6.4734 6.4734 12.0881 12.0916 13.1846 13.1911 k = 0.0833 0.1443-0.0000 ( 5187 PWs) bands (ev): -41.1476 -41.1476 -10.5699 -10.5699 0.8862 0.8865 1.1241 1.1241 1.8723 1.8735 1.8872 1.9045 1.9560 1.9742 2.0432 2.0445 2.4710 2.4776 2.6357 2.6425 6.4479 6.4479 12.1814 12.1848 13.2057 13.2119 k = 0.0774 0.1340-0.0000 ( 5191 PWs) bands (ev): -41.1476 -41.1476 -10.5733 -10.5733 0.8985 0.8988 1.1185 1.1185 1.8766 1.8771 1.9023 1.9216 1.9578 1.9774 2.0407 2.0416 2.4683 2.4741 2.6304 2.6365 6.4242 6.4242 12.2753 12.2785 13.2215 13.2274 k = 0.0714 0.1237-0.0000 ( 5191 PWs) bands (ev): -41.1477 -41.1477 -10.5766 -10.5766 0.9099 0.9101 1.1133 1.1133 1.8805 1.8807 1.9162 1.9374 1.9598 1.9810 2.0388 2.0394 2.4656 2.4706 2.6255 2.6307 6.4023 6.4023 12.3694 12.3724 13.2327 13.2383 k = 0.0655 0.1134-0.0000 ( 5189 PWs) bands (ev): -41.1477 -41.1477 -10.5797 -10.5797 0.9204 0.9206 1.1084 1.1085 1.8842 1.8843 1.9285 1.9509 1.9626 1.9851 2.0374 2.0378 2.4629 2.4671 2.6210 2.6253 6.3821 6.3821 12.4635 12.4664 13.2401 13.2452 k = 0.0595 0.1031-0.0000 ( 5189 PWs) bands (ev): -41.1477 -41.1477 -10.5825 -10.5825 0.9299 0.9301 1.1040 1.1040 1.8878 1.8878 1.9389 1.9589 1.9697 1.9896 2.0365 2.0367 2.4603 2.4637 2.6168 2.6203 6.3637 6.3637 12.5573 12.5600 13.2443 13.2490 k = 0.0536 0.0928-0.0000 ( 5189 PWs) bands (ev): -41.1478 -41.1478 -10.5851 -10.5851 0.9385 0.9386 1.0999 1.0999 1.8911 1.8912 1.9474 1.9617 1.9805 1.9947 2.0361 2.0363 2.4577 2.4604 2.6130 2.6157 6.3470 6.3470 12.6503 12.6529 13.2460 13.2503 k = 0.0476 0.0825-0.0000 ( 5187 PWs) bands (ev): -41.1478 -41.1478 -10.5874 -10.5874 0.9461 0.9462 1.0962 1.0962 1.8943 1.8944 1.9539 1.9634 1.9909 2.0002 2.0362 2.0363 2.4552 2.4572 2.6096 2.6116 6.3320 6.3320 12.7420 12.7443 13.2460 13.2498 k = 0.0417 0.0722-0.0000 ( 5185 PWs) bands (ev): -41.1478 -41.1478 -10.5895 -10.5895 0.9528 0.9528 1.0930 1.0930 1.8972 1.8973 1.9589 1.9648 2.0000 2.0057 2.0368 2.0369 2.4528 2.4543 2.6065 2.6080 6.3188 6.3188 12.8314 12.8336 13.2446 13.2480 k = 0.0357 0.0619-0.0000 ( 5189 PWs) bands (ev): -41.1478 -41.1478 -10.5913 -10.5913 0.9585 0.9585 1.0901 1.0901 1.8998 1.8999 1.9625 1.9660 2.0076 2.0108 2.0378 2.0379 2.4506 2.4516 2.6039 2.6048 6.3074 6.3074 12.9175 12.9195 13.2426 13.2454 k = 0.0298 0.0515-0.0000 ( 5193 PWs) bands (ev): -41.1478 -41.1478 -10.5929 -10.5929 0.9633 0.9633 1.0877 1.0877 1.9021 1.9022 1.9652 1.9671 2.0136 2.0153 2.0392 2.0394 2.4486 2.4492 2.6016 2.6022 6.2977 6.2977 12.9986 13.0004 13.2402 13.2426 k = 0.0238 0.0412-0.0000 ( 5201 PWs) bands (ev): -41.1479 -41.1479 -10.5942 -10.5942 0.9672 0.9672 1.0857 1.0857 1.9040 1.9040 1.9670 1.9680 2.0180 2.0188 2.0410 2.0411 2.4469 2.4472 2.5997 2.6000 6.2898 6.2898 13.0726 13.0741 13.2380 13.2398 k = 0.0179 0.0309-0.0000 ( 5201 PWs) bands (ev): -41.1479 -41.1479 -10.5952 -10.5952 0.9702 0.9702 1.0841 1.0841 1.9055 1.9055 1.9683 1.9687 2.0211 2.0214 2.0428 2.0429 2.4455 2.4456 2.5983 2.5984 6.2836 6.2836 13.1364 13.1376 13.2362 13.2376 k = 0.0119 0.0206-0.0000 ( 5205 PWs) bands (ev): -41.1479 -41.1479 -10.5959 -10.5959 0.9724 0.9724 1.0830 1.0830 1.9066 1.9066 1.9692 1.9693 2.0231 2.0232 2.0443 2.0443 2.4444 2.4445 2.5972 2.5972 6.2792 6.2792 13.1858 13.1866 13.2358 13.2367 k = 0.0060 0.0103-0.0000 ( 5209 PWs) bands (ev): -41.1479 -41.1479 -10.5963 -10.5963 0.9736 0.9736 1.0824 1.0824 1.9072 1.9072 1.9696 1.9697 2.0242 2.0242 2.0454 2.0454 2.4438 2.4438 2.5965 2.5965 6.2765 6.2765 13.2150 13.2152 13.2387 13.2389 k = 0.0000 0.0000 0.0000 ( 5229 PWs) bands (ev): -41.1479 -41.1479 -10.5965 -10.5965 0.9741 0.9741 1.0821 1.0821 1.9075 1.9075 1.9698 1.9698 2.0245 2.0245 2.0457 2.0457 2.4436 2.4436 2.5963 2.5963 6.2757 6.2757 13.2221 13.2221 13.2427 13.2427 k = 0.0000 0.0000 0.0000 ( 5229 PWs) bands (ev): -41.1479 -41.1479 -10.5965 -10.5965 0.9741 0.9741 1.0821 1.0821 1.9075 1.9075 1.9698 1.9698 2.0245 2.0245 2.0457 2.0457 2.4436 2.4436 2.5963 2.5963 6.2757 6.2757 13.2221 13.2221 13.2427 13.2427 k = 0.0000 0.0000 0.0118 ( 5229 PWs) bands (ev): -41.1479 -41.1479 -10.5956 -10.5956 0.9675 0.9675 1.0822 1.0822 1.8695 1.8695 1.9105 1.9402 2.0633 2.0633 2.0673 2.1124 2.4371 2.4526 2.5967 2.5967 6.2822 6.2822 13.2229 13.2230 13.2436 13.2436 k = 0.0000 0.0000 0.0236 ( 5205 PWs) bands (ev): -41.1479 -41.1479 -10.5928 -10.5928 0.9477 0.9477 1.0825 1.0825 1.8025 1.8025 1.8402 1.8676 2.1302 2.1325 2.1325 2.1906 2.4325 2.4658 2.5979 2.5979 6.3018 6.3018 13.2254 13.2256 13.2461 13.2461 k = 0.0000 0.0000 0.0354 ( 5193 PWs) bands (ev): -41.1479 -41.1479 -10.5882 -10.5882 0.9150 0.9150 1.0831 1.0831 1.7310 1.7310 1.7685 1.7926 2.1911 2.2075 2.2075 2.2709 2.4293 2.4852 2.6000 2.6000 6.3340 6.3340 13.2296 13.2299 13.2502 13.2502 k = 0.0000 0.0000 0.0472 ( 5193 PWs) bands (ev): -41.1479 -41.1479 -10.5818 -10.5818 0.8700 0.8700 1.0840 1.0840 1.6590 1.6590 1.6969 1.7181 2.2444 2.2837 2.2837 2.3521 2.4274 2.5141 2.6037 2.6037 6.3782 6.3782 13.2355 13.2359 13.2561 13.2561 k = 0.0000 0.0000 0.0590 ( 5205 PWs) bands (ev): -41.1479 -41.1479 -10.5736 -10.5736 0.8133 0.8133 1.0852 1.0852 1.5876 1.5876 1.6256 1.6446 2.2868 2.3592 2.3592 2.4194 2.4410 2.5551 2.6098 2.6098 6.4337 6.4337 13.2389 13.2389 13.2430 13.2436 k = 0.0000 0.0000 0.0708 ( 5205 PWs) bands (ev): -41.1478 -41.1478 -10.5636 -10.5636 0.7459 0.7459 1.0867 1.0867 1.5172 1.5172 1.5552 1.5722 2.3175 2.4224 2.4308 2.4308 2.5202 2.6086 2.6211 2.6211 6.4995 6.4995 13.1259 13.1259 13.2523 13.2529 k = 0.0000 0.0000 0.0826 ( 5193 PWs) bands (ev): -41.1478 -41.1478 -10.5519 -10.5519 0.6687 0.6687 1.0882 1.0882 1.4482 1.4482 1.4857 1.5010 2.3388 2.4220 2.4922 2.4922 2.6039 2.6437 2.6437 2.6724 6.5746 6.5746 13.0127 13.0127 13.2632 13.2640 k = 0.0000 0.0000 0.0944 ( 5193 PWs) bands (ev): -41.1478 -41.1478 -10.5384 -10.5384 0.5829 0.5829 1.0897 1.0897 1.3809 1.3809 1.4173 1.4312 2.3537 2.4218 2.5340 2.5340 2.6867 2.6867 2.6885 2.7433 6.6580 6.6580 12.9001 12.9001 13.2758 13.2766 k = 0.0000 0.0000 0.1062 ( 5193 PWs) bands (ev): -41.1478 -41.1478 -10.5233 -10.5233 0.4893 0.4893 1.0905 1.0905 1.3158 1.3158 1.3500 1.3627 2.3645 2.4218 2.5562 2.5562 2.7500 2.7500 2.7735 2.8189 6.7486 6.7486 12.7886 12.7886 13.2900 13.2909 k = 0.0000 0.0000 0.1180 ( 5199 PWs) bands (ev): -41.1478 -41.1478 -10.5065 -10.5065 0.3891 0.3891 1.0896 1.0896 1.2541 1.2541 1.2841 1.2957 2.3728 2.4221 2.5679 2.5679 2.8244 2.8244 2.8590 2.8975 6.8453 6.8453 12.6784 12.6784 13.3058 13.3068 k = 0.0000 0.0000 0.1297 ( 5187 PWs) bands (ev): -41.1477 -41.1477 -10.4881 -10.4881 0.2831 0.2831 1.0837 1.0837 1.1992 1.1992 1.2195 1.2302 2.3794 2.4227 2.5750 2.5750 2.9038 2.9038 2.9447 2.9781 6.9472 6.9472 12.5698 12.5698 13.3232 13.3243 k = 0.0000 0.0000 0.1415 ( 5169 PWs) bands (ev): -41.1477 -41.1477 -10.4682 -10.4682 0.1724 0.1724 1.0642 1.0642 1.1563 1.1598 1.1598 1.1661 2.3850 2.4234 2.5801 2.5801 2.9856 2.9856 3.0306 3.0600 7.0534 7.0534 12.4629 12.4629 13.3422 13.3434 k = 0.0000 0.0000 0.1533 ( 5169 PWs) bands (ev): -41.1476 -41.1476 -10.4467 -10.4467 0.0576 0.0576 1.0243 1.0243 1.0946 1.1037 1.1425 1.1425 2.3899 2.4243 2.5841 2.5841 3.0687 3.0687 3.1165 3.1428 7.1629 7.1629 12.3578 12.3578 13.3627 13.3640 k = 0.0000 0.0000 0.1651 ( 5157 PWs) bands (ev): -41.1476 -41.1476 -10.4239 -10.4239 -0.0603 -0.0603 0.9731 0.9731 1.0344 1.0428 1.1384 1.1384 2.3943 2.4254 2.5875 2.5875 3.1524 3.1524 3.2024 3.2261 7.2749 7.2749 12.2546 12.2546 13.3847 13.3861 k = 0.0000 0.0000 0.1769 ( 5157 PWs) bands (ev): -41.1476 -41.1476 -10.3997 -10.3997 -0.1806 -0.1806 0.9186 0.9186 0.9758 0.9836 1.1393 1.1393 2.3983 2.4266 2.5906 2.5906 3.2364 3.2364 3.2881 3.3097 7.3887 7.3887 12.1534 12.1534 13.4082 13.4097 k = 0.0000 0.0000 0.1887 ( 5157 PWs) bands (ev): -41.1475 -41.1475 -10.3742 -10.3742 -0.3028 -0.3028 0.8640 0.8640 0.9187 0.9260 1.1423 1.1423 2.4021 2.4280 2.5936 2.5936 3.3205 3.3205 3.3735 3.3933 7.5036 7.5036 12.0542 12.0542 13.4331 13.4347 k = 0.0000 0.0000 0.2005 ( 5145 PWs) bands (ev): -41.1475 -41.1475 -10.3475 -10.3475 -0.4260 -0.4260 0.8100 0.8100 0.8634 0.8701 1.1465 1.1465 2.4057 2.4295 2.5964 2.5964 3.4043 3.4043 3.4585 3.4767 7.6189 7.6189 11.9570 11.9570 13.4594 13.4610 k = 0.0000 0.0000 0.2123 ( 5146 PWs) bands (ev): -41.1475 -41.1475 -10.3197 -10.3197 -0.5499 -0.5499 0.7574 0.7574 0.8097 0.8160 1.1513 1.1513 2.4091 2.4311 2.5992 2.5992 3.4877 3.4877 3.5429 3.5598 7.7342 7.7342 11.8620 11.8620 13.4870 13.4887 k = 0.0000 0.0000 0.2241 ( 5140 PWs) bands (ev): -41.1474 -41.1474 -10.2909 -10.2909 -0.6738 -0.6738 0.7061 0.7061 0.7577 0.7636 1.1566 1.1566 2.4124 2.4328 2.6019 2.6019 3.5705 3.5705 3.6266 3.6423 7.8489 7.8489 11.7691 11.7691 13.5158 13.5176 k = 0.0000 0.0000 0.2359 ( 5140 PWs) bands (ev): -41.1474 -41.1474 -10.2612 -10.2612 -0.7972 -0.7972 0.6564 0.6564 0.7074 0.7129 1.1621 1.1621 2.4157 2.4345 2.6045 2.6045 3.6526 3.6526 3.7094 3.7241 7.9625 7.9625 11.6784 11.6784 13.5459 13.5477 k = 0.0000 0.0000 0.2477 ( 5140 PWs) bands (ev): -41.1473 -41.1473 -10.2307 -10.2307 -0.9197 -0.9197 0.6084 0.6084 0.6589 0.6641 1.1679 1.1679 2.4188 2.4363 2.6072 2.6072 3.7337 3.7337 3.7913 3.8050 8.0747 8.0747 11.5899 11.5899 13.5770 13.5789 k = 0.0000 0.0000 0.2595 ( 5140 PWs) bands (ev): -41.1473 -41.1473 -10.1996 -10.1996 -1.0409 -1.0409 0.5621 0.5621 0.6123 0.6170 1.1739 1.1739 2.4219 2.4381 2.6098 2.6098 3.8138 3.8138 3.8720 3.8848 8.1851 8.1851 11.5036 11.5036 13.6091 13.6111 k = 0.0000 0.0000 0.2713 ( 5146 PWs) bands (ev): -41.1472 -41.1472 -10.1679 -10.1679 -1.1603 -1.1603 0.5176 0.5176 0.5674 0.5719 1.1799 1.1799 2.4249 2.4400 2.6124 2.6124 3.8926 3.8926 3.9513 3.9634 8.2933 8.2933 11.4195 11.4195 13.6422 13.6442 k = 0.0000 0.0000 0.2831 ( 5152 PWs) bands (ev): -41.1472 -41.1472 -10.1358 -10.1358 -1.2775 -1.2775 0.4749 0.4749 0.5244 0.5285 1.1860 1.1860 2.4278 2.4418 2.6149 2.6149 3.9699 3.9699 4.0292 4.0405 8.3993 8.3993 11.3376 11.3376 13.6761 13.6781 k = 0.0000 0.0000 0.2949 ( 5152 PWs) bands (ev): -41.1472 -41.1472 -10.1035 -10.1035 -1.3922 -1.3922 0.4340 0.4340 0.4832 0.4871 1.1921 1.1921 2.4307 2.4437 2.6174 2.6174 4.0456 4.0456 4.1054 4.1159 8.5026 8.5026 11.2579 11.2579 13.7107 13.7127 k = 0.0000 0.0000 0.3067 ( 5152 PWs) bands (ev): -41.1471 -41.1471 -10.0711 -10.0711 -1.5041 -1.5041 0.3949 0.3949 0.4440 0.4476 1.1982 1.1982 2.4335 2.4456 2.6199 2.6199 4.1194 4.1194 4.1797 4.1896 8.6031 8.6031 11.1805 11.1805 13.7458 13.7478 k = 0.0000 0.0000 0.3185 ( 5158 PWs) bands (ev): -41.1471 -41.1471 -10.0387 -10.0387 -1.6126 -1.6126 0.3578 0.3578 0.4066 0.4100 1.2042 1.2042 2.4362 2.4474 2.6223 2.6223 4.1913 4.1913 4.2519 4.2612 8.7008 8.7008 11.1053 11.1053 13.7813 13.7833 k = 0.0000 0.0000 0.3303 ( 5152 PWs) bands (ev): -41.1471 -41.1471 -10.0065 -10.0065 -1.7177 -1.7177 0.3225 0.3225 0.3712 0.3743 1.2101 1.2101 2.4388 2.4492 2.6246 2.6246 4.2609 4.2609 4.3219 4.3306 8.7954 8.7954 11.0322 11.0322 13.8170 13.8190 k = 0.0000 0.0000 0.3421 ( 5152 PWs) bands (ev): -41.1470 -41.1470 -9.9748 -9.9748 -1.8188 -1.8188 0.2892 0.2892 0.3377 0.3406 1.2159 1.2159 2.4413 2.4510 2.6269 2.6269 4.3280 4.3280 4.3894 4.3975 8.8869 8.8869 10.9612 10.9612 13.8528 13.8547 k = 0.0000 0.0000 0.3539 ( 5182 PWs) bands (ev): -41.1470 -41.1470 -9.9436 -9.9436 -1.9157 -1.9157 0.2578 0.2578 0.3062 0.3088 1.2215 1.2215 2.4438 2.4527 2.6291 2.6291 4.3925 4.3925 4.4543 4.4618 8.9752 8.9752 10.8923 10.8923 13.8884 13.8903 k = 0.0000 0.0000 0.3657 ( 5176 PWs) bands (ev): -41.1470 -41.1470 -9.9133 -9.9133 -2.0081 -2.0081 0.2283 0.2283 0.2766 0.2790 1.2270 1.2270 2.4461 2.4543 2.6312 2.6312 4.4542 4.4542 4.5162 4.5232 9.0604 9.0604 10.8255 10.8255 13.9235 13.9251 k = 0.0000 0.0000 0.3775 ( 5176 PWs) bands (ev): -41.1469 -41.1469 -9.8838 -9.8838 -2.0957 -2.0957 0.2009 0.2009 0.2490 0.2512 1.2322 1.2322 2.4483 2.4558 2.6332 2.6332 4.5128 4.5128 4.5751 4.5816 9.1423 9.1423 10.7606 10.7606 13.9574 13.9574 k = 0.0000 0.0000 0.3892 ( 5182 PWs) bands (ev): -41.1469 -41.1469 -9.8556 -9.8556 -2.1782 -2.1782 0.1754 0.1754 0.2234 0.2255 1.2371 1.2371 2.4504 2.4573 2.6351 2.6351 4.5681 4.5681 4.6307 4.6367 9.2212 9.2212 10.6977 10.6977 13.9884 13.9884 k = 0.0000 0.0000 0.4010 ( 5182 PWs) bands (ev): -41.1469 -41.1469 -9.8287 -9.8287 -2.2553 -2.2553 0.1519 0.1519 0.1999 0.2017 1.2417 1.2417 2.4524 2.4586 2.6368 2.6368 4.6199 4.6199 4.6828 4.6883 9.2969 9.2969 10.6365 10.6365 14.0176 14.0176 k = 0.0000 0.0000 0.4128 ( 5188 PWs) bands (ev): -41.1468 -41.1468 -9.8033 -9.8033 -2.3267 -2.3267 0.1304 0.1304 0.1783 0.1800 1.2461 1.2461 2.4543 2.4599 2.6385 2.6385 4.6681 4.6681 4.7312 4.7361 9.3696 9.3696 10.5772 10.5772 14.0442 14.0442 k = 0.0000 0.0000 0.4246 ( 5188 PWs) bands (ev): -41.1468 -41.1468 -9.7797 -9.7797 -2.3922 -2.3922 0.1110 0.1110 0.1588 0.1603 1.2501 1.2501 2.4560 2.4610 2.6400 2.6400 4.7123 4.7123 4.7757 4.7801 9.4392 9.4392 10.5195 10.5195 14.0673 14.0673 k = 0.0000 0.0000 0.4364 ( 5182 PWs) bands (ev): -41.1468 -41.1468 -9.7579 -9.7579 -2.4515 -2.4515 0.0935 0.0935 0.1413 0.1426 1.2537 1.2537 2.4576 2.4620 2.6413 2.6413 4.7525 4.7525 4.8161 4.8200 9.5060 9.5060 10.4635 10.4635 14.0858 14.0858 k = 0.0000 0.0000 0.4482 ( 5176 PWs) bands (ev): -41.1468 -41.1468 -9.7383 -9.7383 -2.5044 -2.5044 0.0781 0.0781 0.1259 0.1270 1.2570 1.2570 2.4591 2.4629 2.6426 2.6426 4.7884 4.7884 4.8522 4.8557 9.5698 9.5698 10.4091 10.4091 14.0979 14.0979 k = 0.0000 0.0000 0.4600 ( 5170 PWs) bands (ev): -41.1467 -41.1467 -9.7209 -9.7209 -2.5507 -2.5507 0.0648 0.0648 0.1125 0.1135 1.2599 1.2599 2.4604 2.4636 2.6436 2.6436 4.8199 4.8199 4.8840 4.8869 9.6306 9.6306 10.3563 10.3563 14.1021 14.1021 k = 0.0000 0.0000 0.4718 ( 5170 PWs) bands (ev): -41.1467 -41.1467 -9.7060 -9.7060 -2.5903 -2.5903 0.0535 0.0535 0.1012 0.1020 1.2623 1.2623 2.4615 2.4642 2.6445 2.6445 4.8468 4.8468 4.9111 4.9136 9.6883 9.6883 10.3055 10.3055 14.0985 14.0985 k = 0.0000 0.0000 0.4836 ( 5170 PWs) bands (ev): -41.1467 -41.1467 -9.6935 -9.6935 -2.6229 -2.6229 0.0442 0.0442 0.0920 0.0926 1.2644 1.2644 2.4625 2.4646 2.6453 2.6453 4.8690 4.8690 4.9335 4.9355 9.7424 9.7424 10.2570 10.2570 14.0899 14.0899 k = 0.0000 0.0000 0.4954 ( 5182 PWs) bands (ev): -41.1467 -41.1467 -9.6837 -9.6837 -2.6484 -2.6484 0.0370 0.0370 0.0848 0.0853 1.2660 1.2660 2.4633 2.4649 2.6459 2.6459 4.8864 4.8864 4.9512 4.9526 9.7918 9.7918 10.2119 10.2119 14.0798 14.0798 k = 0.0000 0.0000 0.5072 ( 5182 PWs) bands (ev): -41.1467 -41.1467 -9.6767 -9.6767 -2.6666 -2.6666 0.0318 0.0318 0.0797 0.0800 1.2671 1.2671 2.4640 2.4651 2.6463 2.6463 4.8989 4.8989 4.9639 4.9649 9.8342 9.8342 10.1726 10.1726 14.0711 14.0711 k = 0.0000 0.0000 0.5190 ( 5194 PWs) bands (ev): -41.1467 -41.1467 -9.6724 -9.6724 -2.6776 -2.6776 0.0287 0.0287 0.0766 0.0768 1.2678 1.2678 2.4645 2.4650 2.6466 2.6466 4.9064 4.9064 4.9716 4.9721 9.8650 9.8650 10.1437 10.1437 14.0653 14.0653 k = 0.0000 0.0000 0.5308 ( 5182 PWs) bands (ev): -41.1467 -41.1467 -9.6710 -9.6710 -2.6813 -2.6813 0.0277 0.0277 0.0757 0.0757 1.2680 1.2680 2.4648 2.4648 2.6466 2.6466 4.9089 4.9089 4.9744 4.9744 9.8767 9.8767 10.1326 10.1326 14.0632 14.0632 k = 0.0000 0.0000 0.5308 ( 5182 PWs) bands (ev): -41.1467 -41.1467 -9.6710 -9.6710 -2.6813 -2.6813 0.0277 0.0277 0.0757 0.0757 1.2680 1.2680 2.4648 2.4648 2.6466 2.6466 4.9089 4.9089 4.9744 4.9744 9.8767 9.8767 10.1326 10.1326 14.0632 14.0632 k = 0.0102 0.0059 0.5308 ( 5190 PWs) bands (ev): -41.1467 -41.1467 -9.6709 -9.6709 -2.6811 -2.6811 0.0273 0.0273 0.0752 0.0752 1.2691 1.2691 2.4649 2.4649 2.6467 2.6467 4.9085 4.9085 4.9740 4.9740 9.8783 9.8783 10.1286 10.1286 14.0600 14.0600 k = 0.0204 0.0118 0.5308 ( 5190 PWs) bands (ev): -41.1467 -41.1467 -9.6705 -9.6705 -2.6803 -2.6803 0.0260 0.0260 0.0739 0.0739 1.2722 1.2722 2.4650 2.4650 2.6469 2.6469 4.9073 4.9073 4.9728 4.9728 9.8833 9.8833 10.1166 10.1166 14.0501 14.0501 k = 0.0306 0.0177 0.5308 ( 5182 PWs) bands (ev): -41.1467 -41.1467 -9.6699 -9.6699 -2.6791 -2.6791 0.0237 0.0237 0.0718 0.0718 1.2774 1.2774 2.4653 2.4653 2.6471 2.6471 4.9053 4.9053 4.9709 4.9709 9.8916 9.8916 10.0965 10.0965 14.0332 14.0332 k = 0.0408 0.0236 0.5308 ( 5180 PWs) bands (ev): -41.1467 -41.1467 -9.6691 -9.6691 -2.6774 -2.6774 0.0205 0.0205 0.0688 0.0688 1.2847 1.2847 2.4656 2.4656 2.6475 2.6475 4.9024 4.9024 4.9683 4.9683 9.9032 9.9032 10.0686 10.0686 14.0088 14.0088 k = 0.0510 0.0295 0.5308 ( 5184 PWs) bands (ev): -41.1467 -41.1467 -9.6680 -9.6680 -2.6753 -2.6753 0.0163 0.0163 0.0652 0.0652 1.2940 1.2940 2.4660 2.4660 2.6480 2.6480 4.8987 4.8987 4.9651 4.9651 9.9180 9.9180 10.0330 10.0330 13.9768 13.9768 k = 0.0612 0.0353 0.5308 ( 5180 PWs) bands (ev): -41.1466 -41.1466 -9.6667 -9.6667 -2.6726 -2.6726 0.0110 0.0110 0.0611 0.0611 1.3054 1.3054 2.4665 2.4665 2.6487 2.6487 4.8942 4.8942 4.9612 4.9612 9.9359 9.9359 9.9898 9.9898 13.9370 13.9370 k = 0.0714 0.0412 0.5308 ( 5178 PWs) bands (ev): -41.1466 -41.1466 -9.6652 -9.6652 -2.6695 -2.6695 0.0045 0.0045 0.0565 0.0565 1.3189 1.3189 2.4670 2.4670 2.6495 2.6495 4.8888 4.8888 4.9569 4.9569 9.9392 9.9392 9.9570 9.9570 13.8900 13.8900 k = 0.0816 0.0471 0.5308 ( 5176 PWs) bands (ev): -41.1466 -41.1466 -9.6634 -9.6634 -2.6660 -2.6660 -0.0032 -0.0032 0.0515 0.0515 1.3345 1.3345 2.4676 2.4676 2.6506 2.6506 4.8824 4.8824 4.9522 4.9522 9.8815 9.8815 9.9811 9.9811 13.8364 13.8364 k = 0.0918 0.0530 0.5308 ( 5180 PWs) bands (ev): -41.1466 -41.1466 -9.6615 -9.6615 -2.6621 -2.6621 -0.0122 -0.0122 0.0463 0.0463 1.3521 1.3521 2.4682 2.4682 2.6519 2.6519 4.8752 4.8752 4.9472 4.9472 9.8169 9.8169 10.0080 10.0080 13.7772 13.7772 k = 0.1020 0.0589 0.5308 ( 5180 PWs) bands (ev): -41.1465 -41.1465 -9.6593 -9.6593 -2.6578 -2.6578 -0.0225 -0.0225 0.0409 0.0409 1.3717 1.3717 2.4688 2.4688 2.6534 2.6534 4.8671 4.8671 4.9419 4.9419 9.7456 9.7456 10.0378 10.0378 13.7131 13.7132 k = 0.1122 0.0648 0.5308 ( 5176 PWs) bands (ev): -41.1465 -41.1465 -9.6570 -9.6570 -2.6531 -2.6531 -0.0340 -0.0340 0.0353 0.0353 1.3934 1.3934 2.4695 2.4695 2.6552 2.6552 4.8582 4.8582 4.9364 4.9364 9.6679 9.6679 10.0703 10.0703 13.6452 13.6452 k = 0.1224 0.0707 0.5308 ( 5180 PWs) bands (ev): -41.1465 -41.1465 -9.6544 -9.6544 -2.6480 -2.6480 -0.0467 -0.0467 0.0296 0.0296 1.4171 1.4171 2.4701 2.4701 2.6573 2.6573 4.8485 4.8485 4.9307 4.9307 9.5842 9.5842 10.1053 10.1053 13.5741 13.5741 k = 0.1327 0.0766 0.5308 ( 5180 PWs) bands (ev): -41.1464 -41.1464 -9.6517 -9.6517 -2.6427 -2.6427 -0.0605 -0.0605 0.0237 0.0237 1.4427 1.4427 2.4708 2.4708 2.6597 2.6597 4.8380 4.8380 4.9249 4.9249 9.4946 9.4946 10.1428 10.1428 13.5006 13.5006 k = 0.1429 0.0825 0.5308 ( 5178 PWs) bands (ev): -41.1464 -41.1464 -9.6488 -9.6488 -2.6370 -2.6370 -0.0754 -0.0754 0.0177 0.0177 1.4703 1.4703 2.4716 2.4716 2.6624 2.6624 4.8269 4.8269 4.9191 4.9191 9.3996 9.3996 10.1826 10.1826 13.4252 13.4252 k = 0.1531 0.0884 0.5308 ( 5164 PWs) bands (ev): -41.1464 -41.1464 -9.6457 -9.6457 -2.6310 -2.6310 -0.0912 -0.0912 0.0116 0.0116 1.4998 1.4998 2.4724 2.4724 2.6655 2.6655 4.8152 4.8152 4.9131 4.9131 9.2994 9.2994 10.2246 10.2246 13.3485 13.3485 k = 0.1633 0.0943 0.5308 ( 5170 PWs) bands (ev): -41.1463 -41.1463 -9.6425 -9.6425 -2.6248 -2.6248 -0.1078 -0.1078 0.0053 0.0053 1.5312 1.5312 2.4734 2.4734 2.6690 2.6690 4.8030 4.8030 4.9071 4.9071 9.1943 9.1943 10.2685 10.2685 13.2711 13.2711 k = 0.1735 0.1002 0.5308 ( 5174 PWs) bands (ev): -41.1463 -41.1463 -9.6392 -9.6392 -2.6184 -2.6184 -0.1252 -0.1252 -0.0011 -0.0011 1.5643 1.5643 2.4745 2.4745 2.6728 2.6728 4.7904 4.7904 4.9011 4.9011 9.0848 9.0848 10.3144 10.3144 13.1933 13.1933 k = 0.1837 0.1060 0.5308 ( 5178 PWs) bands (ev): -41.1462 -41.1462 -9.6357 -9.6357 -2.6117 -2.6117 -0.1433 -0.1433 -0.0077 -0.0077 1.5991 1.5991 2.4759 2.4759 2.6770 2.6770 4.7775 4.7775 4.8950 4.8950 8.9712 8.9712 10.3619 10.3619 13.1155 13.1155 k = 0.1939 0.1119 0.5308 ( 5178 PWs) bands (ev): -41.1462 -41.1462 -9.6322 -9.6322 -2.6049 -2.6049 -0.1619 -0.1619 -0.0143 -0.0143 1.6355 1.6355 2.4776 2.4776 2.6815 2.6815 4.7643 4.7643 4.8889 4.8889 8.8537 8.8537 10.4110 10.4110 13.0382 13.0382 k = 0.2041 0.1178 0.5308 ( 5174 PWs) bands (ev): -41.1462 -41.1462 -9.6285 -9.6285 -2.5980 -2.5980 -0.1811 -0.1811 -0.0210 -0.0210 1.6734 1.6734 2.4799 2.4799 2.6865 2.6865 4.7510 4.7510 4.8828 4.8828 8.7328 8.7328 10.4614 10.4614 12.9615 12.9615 k = 0.2143 0.1237 0.5308 ( 5174 PWs) bands (ev): -41.1461 -41.1461 -9.6248 -9.6248 -2.5910 -2.5910 -0.2006 -0.2006 -0.0278 -0.0278 1.7125 1.7125 2.4828 2.4828 2.6918 2.6918 4.7376 4.7376 4.8767 4.8767 8.6089 8.6089 10.5130 10.5130 12.8859 12.8859 k = 0.2245 0.1296 0.5308 ( 5174 PWs) bands (ev): -41.1461 -41.1461 -9.6210 -9.6210 -2.5839 -2.5839 -0.2205 -0.2205 -0.0347 -0.0347 1.7527 1.7527 2.4866 2.4866 2.6974 2.6974 4.7242 4.7242 4.8706 4.8706 8.4822 8.4822 10.5656 10.5656 12.8115 12.8115 k = 0.2347 0.1355 0.5308 ( 5178 PWs) bands (ev): -41.1460 -41.1460 -9.6171 -9.6171 -2.5768 -2.5768 -0.2406 -0.2406 -0.0415 -0.0415 1.7936 1.7936 2.4915 2.4915 2.7034 2.7034 4.7108 4.7108 4.8646 4.8646 8.3533 8.3533 10.6191 10.6191 12.7387 12.7387 k = 0.2449 0.1414 0.5308 ( 5174 PWs) bands (ev): -41.1460 -41.1460 -9.6132 -9.6132 -2.5696 -2.5696 -0.2608 -0.2608 -0.0484 -0.0484 1.8350 1.8350 2.4978 2.4978 2.7097 2.7097 4.6976 4.6976 4.8587 4.8587 8.2223 8.2223 10.6731 10.6731 12.6675 12.6675 k = 0.2551 0.1473 0.5308 ( 5174 PWs) bands (ev): -41.1459 -41.1459 -9.6093 -9.6093 -2.5625 -2.5625 -0.2811 -0.2811 -0.0553 -0.0553 1.8764 1.8764 2.5058 2.5058 2.7165 2.7165 4.6845 4.6845 4.8528 4.8528 8.0898 8.0898 10.7277 10.7277 12.5982 12.5982 k = 0.2653 0.1532 0.5308 ( 5178 PWs) bands (ev): -41.1459 -41.1459 -9.6054 -9.6054 -2.5554 -2.5554 -0.3014 -0.3014 -0.0621 -0.0621 1.9173 1.9173 2.5160 2.5160 2.7236 2.7236 4.6716 4.6716 4.8471 4.8471 7.9561 7.9561 10.7824 10.7824 12.5309 12.5309 k = 0.2755 0.1591 0.5308 ( 5180 PWs) bands (ev): -41.1458 -41.1458 -9.6015 -9.6015 -2.5485 -2.5485 -0.3215 -0.3215 -0.0688 -0.0688 1.9570 1.9570 2.5289 2.5289 2.7312 2.7312 4.6591 4.6591 4.8414 4.8414 7.8216 7.8216 10.8372 10.8372 12.4658 12.4658 k = 0.2857 0.1650 0.5308 ( 5176 PWs) bands (ev): -41.1458 -41.1458 -9.5976 -9.5976 -2.5416 -2.5416 -0.3414 -0.3414 -0.0755 -0.0755 1.9951 1.9951 2.5449 2.5449 2.7395 2.7395 4.6468 4.6468 4.8359 4.8359 7.6865 7.6865 10.8918 10.8918 12.4028 12.4028 k = 0.2959 0.1708 0.5308 ( 5168 PWs) bands (ev): -41.1457 -41.1457 -9.5938 -9.5938 -2.5348 -2.5348 -0.3610 -0.3610 -0.0820 -0.0820 2.0306 2.0306 2.5643 2.5643 2.7485 2.7485 4.6349 4.6349 4.8305 4.8305 7.5513 7.5513 10.9460 10.9460 12.3421 12.3421 k = 0.3061 0.1767 0.5308 ( 5160 PWs) bands (ev): -41.1457 -41.1457 -9.5900 -9.5900 -2.5282 -2.5282 -0.3803 -0.3803 -0.0884 -0.0884 2.0631 2.0631 2.5873 2.5873 2.7589 2.7589 4.6234 4.6234 4.8253 4.8253 7.4164 7.4164 10.9996 10.9996 12.2837 12.2837 k = 0.3163 0.1826 0.5308 ( 5164 PWs) bands (ev): -41.1456 -41.1456 -9.5863 -9.5863 -2.5218 -2.5218 -0.3991 -0.3991 -0.0946 -0.0946 2.0920 2.0920 2.6135 2.6135 2.7712 2.7712 4.6124 4.6124 4.8203 4.8203 7.2821 7.2821 11.0524 11.0524 12.2278 12.2278 k = 0.3265 0.1885 0.5308 ( 5172 PWs) bands (ev): -41.1456 -41.1456 -9.5827 -9.5827 -2.5156 -2.5156 -0.4173 -0.4173 -0.1006 -0.1006 2.1171 2.1171 2.6417 2.6417 2.7867 2.7867 4.6018 4.6018 4.8154 4.8154 7.1488 7.1488 11.1041 11.1041 12.1743 12.1743 k = 0.3367 0.1944 0.5308 ( 5174 PWs) bands (ev): -41.1455 -41.1455 -9.5792 -9.5792 -2.5096 -2.5096 -0.4350 -0.4350 -0.1065 -0.1065 2.1384 2.1384 2.6698 2.6698 2.8075 2.8075 4.5917 4.5917 4.8108 4.8108 7.0170 7.0170 11.1545 11.1545 12.1234 12.1234 k = 0.3469 0.2003 0.5308 ( 5168 PWs) bands (ev): -41.1455 -41.1455 -9.5759 -9.5759 -2.5039 -2.5039 -0.4519 -0.4519 -0.1121 -0.1121 2.1560 2.1560 2.6949 2.6949 2.8359 2.8359 4.5822 4.5822 4.8064 4.8064 6.8869 6.8869 11.2034 11.2034 12.0752 12.0752 k = 0.3571 0.2062 0.5308 ( 5164 PWs) bands (ev): -41.1455 -41.1455 -9.5726 -9.5726 -2.4985 -2.4985 -0.4682 -0.4682 -0.1174 -0.1174 2.1703 2.1703 2.7153 2.7153 2.8731 2.8731 4.5731 4.5731 4.8022 4.8022 6.7591 6.7591 11.2506 11.2506 12.0297 12.0297 k = 0.3673 0.2121 0.5308 ( 5168 PWs) bands (ev): -41.1454 -41.1454 -9.5696 -9.5696 -2.4933 -2.4933 -0.4836 -0.4836 -0.1225 -0.1225 2.1818 2.1818 2.7309 2.7309 2.9183 2.9183 4.5647 4.5647 4.7982 4.7982 6.6340 6.6340 11.2957 11.2957 11.9870 11.9870 k = 0.3776 0.2180 0.5308 ( 5164 PWs) bands (ev): -41.1454 -41.1454 -9.5667 -9.5667 -2.4885 -2.4885 -0.4981 -0.4981 -0.1272 -0.1272 2.1910 2.1910 2.7429 2.7429 2.9695 2.9695 4.5568 4.5568 4.7945 4.7945 6.5123 6.5123 11.3387 11.3387 11.9472 11.9472 k = 0.3878 0.2239 0.5308 ( 5160 PWs) bands (ev): -41.1453 -41.1453 -9.5639 -9.5639 -2.4840 -2.4840 -0.5117 -0.5117 -0.1317 -0.1317 2.1983 2.1983 2.7524 2.7524 3.0248 3.0248 4.5496 4.5496 4.7911 4.7911 6.3944 6.3944 11.3792 11.3792 11.9104 11.9104 k = 0.3980 0.2298 0.5308 ( 5156 PWs) bands (ev): -41.1453 -41.1453 -9.5614 -9.5614 -2.4798 -2.4798 -0.5243 -0.5243 -0.1358 -0.1358 2.2040 2.2040 2.7601 2.7601 3.0824 3.0824 4.5430 4.5430 4.7880 4.7880 6.2810 6.2810 11.4170 11.4170 11.8766 11.8766 k = 0.4082 0.2357 0.5308 ( 5154 PWs) bands (ev): -41.1453 -41.1453 -9.5591 -9.5591 -2.4760 -2.4760 -0.5358 -0.5358 -0.1396 -0.1396 2.2084 2.2084 2.7665 2.7665 3.1409 3.1409 4.5370 4.5370 4.7851 4.7851 6.1729 6.1729 11.4520 11.4520 11.8458 11.8458 k = 0.4184 0.2415 0.5308 ( 5150 PWs) bands (ev): -41.1453 -41.1453 -9.5570 -9.5570 -2.4725 -2.4725 -0.5463 -0.5463 -0.1430 -0.1430 2.2119 2.2119 2.7720 2.7720 3.1990 3.1990 4.5316 4.5316 4.7825 4.7825 6.0710 6.0710 11.4838 11.4838 11.8181 11.8181 k = 0.4286 0.2474 0.5308 ( 5154 PWs) bands (ev): -41.1452 -41.1452 -9.5551 -9.5551 -2.4695 -2.4695 -0.5556 -0.5556 -0.1461 -0.1461 2.2146 2.2146 2.7766 2.7766 3.2554 3.2554 4.5269 4.5269 4.7802 4.7802 5.9763 5.9763 11.5125 11.5125 11.7936 11.7936 k = 0.4388 0.2533 0.5308 ( 5150 PWs) bands (ev): -41.1452 -41.1452 -9.5534 -9.5534 -2.4668 -2.4668 -0.5638 -0.5638 -0.1487 -0.1487 2.2166 2.2166 2.7805 2.7805 3.3087 3.3087 4.5229 4.5229 4.7782 4.7782 5.8900 5.8900 11.5377 11.5377 11.7723 11.7723 k = 0.4490 0.2592 0.5308 ( 5150 PWs) bands (ev): -41.1452 -41.1452 -9.5520 -9.5520 -2.4645 -2.4645 -0.5707 -0.5707 -0.1510 -0.1510 2.2181 2.2181 2.7838 2.7838 3.3576 3.3576 4.5195 4.5195 4.7765 4.7765 5.8133 5.8133 11.5592 11.5592 11.7542 11.7542 k = 0.4592 0.2651 0.5308 ( 5144 PWs) bands (ev): -41.1452 -41.1452 -9.5509 -9.5509 -2.4626 -2.4626 -0.5765 -0.5765 -0.1529 -0.1529 2.2193 2.2193 2.7864 2.7864 3.4004 3.4004 4.5168 4.5168 4.7752 4.7752 5.7477 5.7477 11.5771 11.5771 11.7394 11.7394 k = 0.4694 0.2710 0.5308 ( 5148 PWs) bands (ev): -41.1452 -41.1452 -9.5500 -9.5500 -2.4612 -2.4612 -0.5810 -0.5810 -0.1543 -0.1543 2.2201 2.2201 2.7884 2.7884 3.4358 3.4358 4.5148 4.5148 4.7741 4.7741 5.6947 5.6947 11.5911 11.5911 11.7279 11.7279 k = 0.4796 0.2769 0.5308 ( 5152 PWs) bands (ev): -41.1452 -41.1452 -9.5493 -9.5493 -2.4601 -2.4601 -0.5842 -0.5842 -0.1554 -0.1554 2.2206 2.2206 2.7898 2.7898 3.4623 3.4623 4.5133 4.5133 4.7733 4.7733 5.6555 5.6555 11.6012 11.6012 11.7196 11.7196 k = 0.4898 0.2828 0.5308 ( 5152 PWs) bands (ev): -41.1452 -41.1452 -9.5489 -9.5489 -2.4595 -2.4595 -0.5861 -0.5861 -0.1560 -0.1560 2.2209 2.2209 2.7907 2.7907 3.4787 3.4787 4.5124 4.5124 4.7729 4.7729 5.6315 5.6315 11.6072 11.6072 11.7146 11.7146 k = 0.5000 0.2887 0.5308 ( 5156 PWs) bands (ev): -41.1452 -41.1452 -9.5488 -9.5488 -2.4593 -2.4593 -0.5868 -0.5868 -0.1562 -0.1562 2.2210 2.2210 2.7910 2.7910 3.4843 3.4843 4.5122 4.5122 4.7727 4.7727 5.6234 5.6234 11.6093 11.6093 11.7130 11.7130 k = 0.5000 0.2887 0.5308 ( 5156 PWs) bands (ev): -41.1452 -41.1452 -9.5488 -9.5488 -2.4593 -2.4593 -0.5868 -0.5868 -0.1562 -0.1562 2.2210 2.2210 2.7910 2.7910 3.4843 3.4843 4.5122 4.5122 4.7727 4.7727 5.6234 5.6234 11.6093 11.6093 11.7130 11.7130 k = 0.4940 0.2990 0.5308 ( 5152 PWs) bands (ev): -41.1452 -41.1452 -9.5487 -9.5487 -2.4592 -2.4592 -0.5874 -0.5860 -0.1575 -0.1558 2.2205 2.2228 2.7888 2.7923 3.4842 3.4847 4.5097 4.5143 4.7704 4.7748 5.6253 5.6253 11.5795 11.5964 11.6120 11.6124 k = 0.4881 0.3093 0.5308 ( 5152 PWs) bands (ev): -41.1452 -41.1452 -9.5486 -9.5486 -2.4590 -2.4590 -0.5879 -0.5852 -0.1595 -0.1562 2.2211 2.2258 2.7857 2.7927 3.4845 3.4855 4.5071 4.5162 4.7678 4.7766 5.6308 5.6309 11.4011 11.4194 11.6203 11.6207 k = 0.4821 0.3196 0.5308 ( 5148 PWs) bands (ev): -41.1452 -41.1452 -9.5484 -9.5484 -2.4587 -2.4587 -0.5884 -0.5842 -0.1623 -0.1573 2.2229 2.2300 2.7817 2.7922 3.4852 3.4866 4.5042 4.5177 4.7651 4.7781 5.6401 5.6402 11.2179 11.2371 11.6341 11.6347 k = 0.4762 0.3299 0.5308 ( 5152 PWs) bands (ev): -41.1452 -41.1452 -9.5481 -9.5481 -2.4582 -2.4582 -0.5887 -0.5832 -0.1659 -0.1592 2.2259 2.2354 2.7768 2.7910 3.4863 3.4881 4.5011 4.5190 4.7621 4.7794 5.6530 5.6531 11.0336 11.0535 11.6534 11.6542 k = 0.4702 0.3402 0.5308 ( 5148 PWs) bands (ev): -41.1451 -41.1451 -9.5477 -9.5477 -2.4576 -2.4576 -0.5890 -0.5821 -0.1703 -0.1618 2.2300 2.2421 2.7711 2.7889 3.4878 3.4900 4.4977 4.5200 4.7589 4.7804 5.6696 5.6697 10.8492 10.8697 11.6780 11.6790 k = 0.4643 0.3505 0.5308 ( 5148 PWs) bands (ev): -41.1451 -41.1451 -9.5472 -9.5472 -2.4569 -2.4569 -0.5892 -0.5808 -0.1753 -0.1652 2.2351 2.2498 2.7646 2.7860 3.4897 3.4922 4.4942 4.5207 4.7556 4.7812 5.6897 5.6897 10.6653 10.6865 11.7078 11.7091 k = 0.4583 0.3608 0.5308 ( 5146 PWs) bands (ev): -41.1451 -41.1451 -9.5466 -9.5466 -2.4561 -2.4561 -0.5893 -0.5795 -0.1810 -0.1691 2.2412 2.2587 2.7574 2.7826 3.4920 3.4948 4.4906 4.5211 4.7522 4.7817 5.7132 5.7132 10.4824 10.5044 11.7427 11.7441 k = 0.4524 0.3712 0.5308 ( 5146 PWs) bands (ev): -41.1451 -41.1451 -9.5460 -9.5460 -2.4552 -2.4552 -0.5894 -0.5781 -0.1873 -0.1737 2.2482 2.2686 2.7495 2.7785 3.4948 3.4978 4.4868 4.5212 4.7488 4.7820 5.7399 5.7401 10.3011 10.3237 11.7824 11.7841 k = 0.4464 0.3815 0.5308 ( 5138 PWs) bands (ev): -41.1451 -41.1451 -9.5453 -9.5453 -2.4542 -2.4542 -0.5894 -0.5766 -0.1941 -0.1787 2.2560 2.2796 2.7410 2.7739 3.4980 3.5012 4.4829 4.5210 4.7453 4.7821 5.7698 5.7701 10.1216 10.1450 11.8267 11.8286 k = 0.4405 0.3918 0.5308 ( 5134 PWs) bands (ev): -41.1451 -41.1451 -9.5445 -9.5445 -2.4531 -2.4531 -0.5894 -0.5751 -0.2014 -0.1843 2.2645 2.2914 2.7319 2.7689 3.5017 3.5050 4.4789 4.5206 4.7417 4.7820 5.8028 5.8033 9.9443 9.9685 11.8754 11.8774 k = 0.4345 0.4021 0.5308 ( 5130 PWs) bands (ev): -41.1451 -41.1451 -9.5437 -9.5437 -2.4519 -2.4519 -0.5894 -0.5735 -0.2091 -0.1902 2.2737 2.3042 2.7223 2.7635 3.5059 3.5092 4.4749 4.5199 4.7383 4.7818 5.8386 5.8394 9.7697 9.7947 11.9280 11.9303 k = 0.4286 0.4124 0.5308 ( 5134 PWs) bands (ev): -41.1451 -41.1451 -9.5429 -9.5429 -2.4507 -2.4507 -0.5893 -0.5719 -0.2171 -0.1964 2.2833 2.3176 2.7123 2.7580 3.5107 3.5138 4.4708 4.5190 4.7348 4.7814 5.8771 5.8783 9.5981 9.6240 11.9842 11.9867 k = 0.4226 0.4227 0.5308 ( 5140 PWs) bands (ev): -41.1451 -41.1451 -9.5420 -9.5420 -2.4494 -2.4494 -0.5893 -0.5703 -0.2253 -0.2028 2.2933 2.3318 2.7020 2.7523 3.5159 3.5189 4.4668 4.5178 4.7315 4.7809 5.9181 5.9196 9.4299 9.4568 12.0437 12.0464 k = 0.4167 0.4330 0.5308 ( 5148 PWs) bands (ev): -41.1451 -41.1451 -9.5411 -9.5411 -2.4481 -2.4481 -0.5893 -0.5687 -0.2337 -0.2094 2.3034 2.3465 2.6913 2.7466 3.5216 3.5245 4.4629 4.5165 4.7283 4.7802 5.9612 5.9633 9.2656 9.2935 12.1059 12.1089 k = 0.4107 0.4433 0.5308 ( 5152 PWs) bands (ev): -41.1451 -41.1451 -9.5402 -9.5402 -2.4468 -2.4468 -0.5893 -0.5671 -0.2421 -0.2160 2.3136 2.3616 2.6805 2.7410 3.5278 3.5305 4.4590 4.5150 4.7253 4.7795 6.0063 6.0090 9.1057 9.1346 12.1703 12.1735 k = 0.4048 0.4536 0.5308 ( 5160 PWs) bands (ev): -41.1451 -41.1451 -9.5393 -9.5393 -2.4455 -2.4455 -0.5894 -0.5655 -0.2504 -0.2225 2.3238 2.3771 2.6695 2.7357 3.5346 3.5369 4.4552 4.5134 4.7224 4.7788 6.0529 6.0564 8.9507 8.9808 12.2363 12.2398 k = 0.3988 0.4639 0.5308 ( 5160 PWs) bands (ev): -41.1450 -41.1450 -9.5384 -9.5384 -2.4442 -2.4441 -0.5895 -0.5641 -0.2586 -0.2289 2.3336 2.3928 2.6584 2.7306 3.5417 3.5437 4.4516 4.5117 4.7198 4.7780 6.1007 6.1051 8.8011 8.8326 12.3032 12.3069 k = 0.3929 0.4743 0.5308 ( 5160 PWs) bands (ev): -41.1450 -41.1450 -9.5375 -9.5375 -2.4429 -2.4429 -0.5897 -0.5627 -0.2665 -0.2351 2.3430 2.4084 2.6474 2.7259 3.5493 3.5508 4.4482 4.5099 4.7173 4.7772 6.1492 6.1546 8.6577 8.6906 12.3702 12.3742 k = 0.3869 0.4846 0.5308 ( 5156 PWs) bands (ev): -41.1450 -41.1450 -9.5366 -9.5366 -2.4416 -2.4416 -0.5899 -0.5615 -0.2739 -0.2410 2.3518 2.4241 2.6363 2.7217 3.5571 3.5582 4.4450 4.5082 4.7151 4.7764 6.1977 6.2043 8.5214 8.5559 12.4364 12.4406 k = 0.3810 0.4949 0.5308 ( 5152 PWs) bands (ev): -41.1450 -41.1450 -9.5358 -9.5358 -2.4405 -2.4404 -0.5903 -0.5604 -0.2809 -0.2464 2.3599 2.4394 2.6254 2.7181 3.5652 3.5658 4.4420 4.5064 4.7131 4.7756 6.2455 6.2536 8.3931 8.4294 12.5007 12.5053 k = 0.3750 0.5052 0.5308 ( 5144 PWs) bands (ev): -41.1450 -41.1450 -9.5351 -9.5351 -2.4394 -2.4393 -0.5907 -0.5595 -0.2873 -0.2514 2.3672 2.4544 2.6147 2.7150 3.5733 3.5734 4.4393 4.5047 4.7113 4.7748 6.2918 6.3014 8.2740 8.3122 12.5621 12.5669 k = 0.3690 0.5155 0.5308 ( 5144 PWs) bands (ev): -41.1450 -41.1450 -9.5344 -9.5344 -2.4384 -2.4383 -0.5911 -0.5587 -0.2931 -0.2559 2.3735 2.4688 2.6042 2.7125 3.5810 3.5813 4.4369 4.5031 4.7098 4.7741 6.3355 6.3468 8.1655 8.2057 12.6193 12.6244 k = 0.3631 0.5258 0.5308 ( 5148 PWs) bands (ev): -41.1450 -41.1450 -9.5338 -9.5338 -2.4375 -2.4374 -0.5916 -0.5582 -0.2980 -0.2597 2.3788 2.4824 2.5940 2.7107 3.5882 3.5890 4.4348 4.5017 4.7085 4.7735 6.3753 6.3884 8.0693 8.1116 12.6709 12.6763 k = 0.3571 0.5361 0.5308 ( 5152 PWs) bands (ev): -41.1450 -41.1450 -9.5332 -9.5332 -2.4367 -2.4367 -0.5921 -0.5578 -0.3022 -0.2629 2.3831 2.4952 2.5843 2.7093 3.5948 3.5961 4.4330 4.5004 4.7074 4.7730 6.4099 6.4248 7.9872 8.0316 12.7156 12.7212 k = 0.3512 0.5464 0.5308 ( 5154 PWs) bands (ev): -41.1450 -41.1450 -9.5328 -9.5328 -2.4361 -2.4361 -0.5926 -0.5576 -0.3054 -0.2654 2.3863 2.5067 2.5753 2.7085 3.6006 3.6023 4.4317 4.4994 4.7066 4.7725 6.4379 6.4545 7.9212 7.9674 12.7521 12.7579 k = 0.3452 0.5567 0.5308 ( 5158 PWs) bands (ev): -41.1450 -41.1450 -9.5325 -9.5325 -2.4356 -2.4356 -0.5930 -0.5575 -0.3077 -0.2673 2.3885 2.5164 2.5674 2.7080 3.6053 3.6072 4.4307 4.4986 4.7060 4.7722 6.4582 6.4762 7.8729 7.9206 12.7791 12.7851 k = 0.3393 0.5670 0.5308 ( 5166 PWs) bands (ev): -41.1450 -41.1450 -9.5323 -9.5323 -2.4353 -2.4353 -0.5933 -0.5575 -0.3091 -0.2683 2.3898 2.5234 2.5616 2.7078 3.6084 3.6105 4.4300 4.4981 4.7057 4.7720 6.4701 6.4890 7.8437 7.8924 12.7958 12.8019 k = 0.3333 0.5774 0.5308 ( 5166 PWs) bands (ev): -41.1450 -41.1450 -9.5322 -9.5322 -2.4352 -2.4352 -0.5934 -0.5575 -0.3096 -0.2687 2.3902 2.5260 2.5594 2.7078 3.6095 3.6117 4.4298 4.4979 4.7056 4.7719 6.4740 6.4932 7.8340 7.8831 12.8014 12.8075 k = 0.3333 0.5774 0.5308 ( 5166 PWs) bands (ev): -41.1450 -41.1450 -9.5322 -9.5322 -2.4352 -2.4352 -0.5934 -0.5575 -0.3096 -0.2687 2.3902 2.5260 2.5594 2.7078 3.6095 3.6117 4.4298 4.4979 4.7056 4.7719 6.4740 6.4932 7.8340 7.8831 12.8014 12.8075 k = 0.3274 0.5670 0.5308 ( 5162 PWs) bands (ev): -41.1450 -41.1450 -9.5323 -9.5323 -2.4353 -2.4353 -0.5932 -0.5575 -0.3091 -0.2683 2.3898 2.5238 2.5612 2.7078 3.6082 3.6104 4.4300 4.4981 4.7057 4.7720 6.4706 6.4896 7.8433 7.8921 12.7958 12.8019 k = 0.3214 0.5567 0.5308 ( 5158 PWs) bands (ev): -41.1450 -41.1450 -9.5325 -9.5325 -2.4357 -2.4356 -0.5928 -0.5573 -0.3078 -0.2673 2.3888 2.5186 2.5651 2.7077 3.6041 3.6060 4.4307 4.4987 4.7060 4.7722 6.4620 6.4802 7.8702 7.9181 12.7791 12.7851 k = 0.3155 0.5464 0.5308 ( 5152 PWs) bands (ev): -41.1450 -41.1450 -9.5329 -9.5329 -2.4362 -2.4362 -0.5920 -0.5569 -0.3056 -0.2655 2.3871 2.5124 2.5692 2.7074 3.5968 3.5982 4.4318 4.4996 4.7066 4.7726 6.4505 6.4676 7.9126 7.9593 12.7521 12.7579 k = 0.3095 0.5361 0.5308 ( 5152 PWs) bands (ev): -41.1450 -41.1450 -9.5334 -9.5334 -2.4370 -2.4370 -0.5908 -0.5562 -0.3026 -0.2631 2.3849 2.5058 2.5727 2.7068 3.5858 3.5866 4.4333 4.5010 4.7074 4.7732 6.4383 6.4543 7.9684 8.0137 12.7154 12.7211 k = 0.3036 0.5258 0.5308 ( 5164 PWs) bands (ev): -41.1450 -41.1450 -9.5341 -9.5341 -2.4380 -2.4380 -0.5891 -0.5551 -0.2989 -0.2600 2.3823 2.4993 2.5751 2.7057 3.5709 3.5709 4.4352 4.5028 4.7084 4.7739 6.4278 6.4427 8.0355 8.0793 12.6702 12.6756 k = 0.2976 0.5155 0.5308 ( 5156 PWs) bands (ev): -41.1450 -41.1450 -9.5350 -9.5350 -2.4394 -2.4393 -0.5868 -0.5535 -0.2944 -0.2563 2.3793 2.4931 2.5764 2.7042 3.5507 3.5518 4.4377 4.5050 4.7096 4.7749 6.4210 6.4348 8.1122 8.1546 12.6176 12.6228 k = 0.2917 0.5052 0.5308 ( 5152 PWs) bands (ev): -41.1450 -41.1450 -9.5360 -9.5360 -2.4409 -2.4409 -0.5839 -0.5514 -0.2893 -0.2521 2.3759 2.4871 2.5763 2.7022 3.5261 3.5284 4.4406 4.5076 4.7111 4.7760 6.4193 6.4322 8.1970 8.2381 12.5587 12.5637 k = 0.2857 0.4949 0.5308 ( 5148 PWs) bands (ev): -41.1450 -41.1450 -9.5373 -9.5373 -2.4428 -2.4428 -0.5803 -0.5486 -0.2836 -0.2473 2.3722 2.4815 2.5748 2.6995 3.4969 3.5007 4.4440 4.5107 4.7129 4.7773 6.4239 6.4361 8.2887 8.3285 12.4946 12.4993 k = 0.2798 0.4846 0.5308 ( 5152 PWs) bands (ev): -41.1450 -41.1450 -9.5387 -9.5387 -2.4449 -2.4449 -0.5760 -0.5452 -0.2774 -0.2420 2.3682 2.4762 2.5718 2.6961 3.4635 3.4690 4.4480 4.5143 4.7149 4.7789 6.4356 6.4472 8.3864 8.4252 12.4263 12.4307 k = 0.2738 0.4743 0.5308 ( 5152 PWs) bands (ev): -41.1451 -41.1451 -9.5403 -9.5403 -2.4474 -2.4473 -0.5709 -0.5410 -0.2707 -0.2362 2.3639 2.4713 2.5672 2.6920 3.4261 3.4335 4.4524 4.5183 4.7172 4.7806 6.4548 6.4660 8.4894 8.5272 12.3545 12.3587 k = 0.2679 0.4639 0.5308 ( 5154 PWs) bands (ev): -41.1451 -41.1451 -9.5421 -9.5421 -2.4501 -2.4501 -0.5651 -0.5360 -0.2635 -0.2300 2.3593 2.4667 2.5610 2.6872 3.3851 3.3946 4.4574 4.5227 4.7198 4.7826 6.4818 6.4927 8.5971 8.6340 12.2801 12.2841 k = 0.2619 0.4536 0.5308 ( 5152 PWs) bands (ev): -41.1451 -41.1451 -9.5440 -9.5440 -2.4531 -2.4531 -0.5584 -0.5302 -0.2560 -0.2235 2.3542 2.4623 2.5530 2.6815 3.3410 3.3528 4.4630 4.5276 4.7226 4.7847 6.5165 6.5271 8.7091 8.7452 12.2037 12.2074 k = 0.2560 0.4433 0.5308 ( 5148 PWs) bands (ev): -41.1451 -41.1451 -9.5462 -9.5462 -2.4564 -2.4564 -0.5508 -0.5235 -0.2480 -0.2165 2.3487 2.4581 2.5433 2.6749 3.2945 3.3088 4.4691 4.5330 4.7258 4.7871 6.5588 6.5693 8.8250 8.8603 12.1258 12.1293 k = 0.2500 0.4330 0.5308 ( 5148 PWs) bands (ev): -41.1452 -41.1452 -9.5485 -9.5485 -2.4601 -2.4600 -0.5424 -0.5159 -0.2398 -0.2092 2.3425 2.4539 2.5318 2.6673 3.2463 3.2633 4.4757 4.5388 4.7293 4.7897 6.6084 6.6188 8.9444 8.9792 12.0469 12.0502 k = 0.2440 0.4227 0.5308 ( 5152 PWs) bands (ev): -41.1452 -41.1452 -9.5510 -9.5510 -2.4640 -2.4640 -0.5331 -0.5075 -0.2312 -0.2016 2.3355 2.4495 2.5185 2.6587 3.1972 3.2170 4.4829 4.5451 4.7330 4.7926 6.6650 6.6753 9.0672 9.1014 11.9675 11.9706 k = 0.2381 0.4124 0.5308 ( 5160 PWs) bands (ev): -41.1452 -41.1452 -9.5537 -9.5537 -2.4682 -2.4682 -0.5230 -0.4981 -0.2224 -0.1938 2.3274 2.4441 2.5038 2.6490 3.1479 3.1707 4.4907 4.5518 4.7371 4.7956 6.7282 6.7384 9.1932 9.2269 11.8877 11.8907 k = 0.2321 0.4021 0.5308 ( 5156 PWs) bands (ev): -41.1453 -41.1453 -9.5565 -9.5565 -2.4727 -2.4727 -0.5119 -0.4879 -0.2134 -0.1857 2.3181 2.4364 2.4890 2.6382 3.0993 3.1251 4.4990 4.5590 4.7414 4.7989 6.7975 6.8077 9.3222 9.3554 11.8080 11.8108 k = 0.2262 0.3918 0.5308 ( 5152 PWs) bands (ev): -41.1453 -41.1453 -9.5595 -9.5595 -2.4775 -2.4775 -0.5000 -0.4768 -0.2042 -0.1774 2.3070 2.4239 2.4762 2.6263 3.0523 3.0809 4.5078 4.5666 4.7460 4.8023 6.8725 6.8827 9.4539 9.4867 11.7286 11.7312 k = 0.2202 0.3815 0.5308 ( 5164 PWs) bands (ev): -41.1453 -41.1453 -9.5626 -9.5626 -2.4826 -2.4826 -0.4873 -0.4648 -0.1948 -0.1689 2.2939 2.4045 2.4673 2.6133 3.0076 3.0388 4.5172 4.5747 4.7510 4.8060 6.9528 6.9630 9.5884 9.6208 11.6496 11.6520 k = 0.2143 0.3712 0.5308 ( 5170 PWs) bands (ev): -41.1454 -41.1454 -9.5659 -9.5659 -2.4879 -2.4879 -0.4737 -0.4520 -0.1853 -0.1603 2.2781 2.3785 2.4620 2.5994 2.9659 2.9993 4.5271 4.5832 4.7561 4.8099 7.0380 7.0481 9.7255 9.7575 11.5712 11.5735 k = 0.2083 0.3608 0.5308 ( 5174 PWs) bands (ev): -41.1454 -41.1454 -9.5693 -9.5693 -2.4935 -2.4935 -0.4594 -0.4383 -0.1756 -0.1515 2.2591 2.3472 2.4589 2.5850 2.9279 2.9627 4.5374 4.5922 4.7616 4.8140 7.1277 7.1377 9.8650 9.8967 11.4937 11.4958 k = 0.2024 0.3505 0.5308 ( 5174 PWs) bands (ev): -41.1455 -41.1455 -9.5728 -9.5728 -2.4994 -2.4994 -0.4443 -0.4239 -0.1659 -0.1427 2.2366 2.3117 2.4571 2.5705 2.8938 2.9293 4.5483 4.6015 4.7672 4.8183 7.2214 7.2313 10.0069 10.0383 11.4170 11.4190 k = 0.1964 0.3402 0.5308 ( 5166 PWs) bands (ev): -41.1455 -41.1455 -9.5765 -9.5765 -2.5055 -2.5054 -0.4285 -0.4088 -0.1562 -0.1338 2.2102 2.2728 2.4561 2.5565 2.8637 2.8990 4.5596 4.6113 4.7732 4.8228 7.3189 7.3286 10.1510 10.1821 11.3414 11.3433 k = 0.1905 0.3299 0.5308 ( 5162 PWs) bands (ev): -41.1455 -41.1455 -9.5802 -9.5802 -2.5117 -2.5117 -0.4120 -0.3930 -0.1464 -0.1248 2.1799 2.2310 2.4557 2.5434 2.8374 2.8718 4.5714 4.6215 4.7793 4.8275 7.4196 7.4292 10.2973 10.3281 11.2669 11.2686 k = 0.1845 0.3196 0.5308 ( 5162 PWs) bands (ev): -41.1456 -41.1456 -9.5840 -9.5840 -2.5182 -2.5182 -0.3949 -0.3766 -0.1366 -0.1158 2.1458 2.1870 2.4557 2.5317 2.8145 2.8474 4.5836 4.6320 4.7856 4.8323 7.5234 7.5328 10.4456 10.4761 11.1936 11.1952 k = 0.1786 0.3093 0.5308 ( 5162 PWs) bands (ev): -41.1456 -41.1456 -9.5879 -9.5879 -2.5249 -2.5249 -0.3773 -0.3596 -0.1268 -0.1069 2.1085 2.1413 2.4560 2.5214 2.7947 2.8256 4.5961 4.6429 4.7922 4.8373 7.6297 7.6390 10.5959 10.6260 11.1215 11.1230 k = 0.1726 0.2990 0.5308 ( 5166 PWs) bands (ev): -41.1457 -41.1457 -9.5919 -9.5919 -2.5317 -2.5317 -0.3592 -0.3421 -0.1171 -0.0979 2.0685 2.0945 2.4565 2.5127 2.7774 2.8061 4.6091 4.6541 4.7989 4.8424 7.7384 7.7474 10.7479 10.7777 11.0508 11.0522 k = 0.1667 0.2887 0.5308 ( 5166 PWs) bands (ev): -41.1457 -41.1457 -9.5958 -9.5958 -2.5387 -2.5387 -0.3406 -0.3242 -0.1074 -0.0890 2.0265 2.0470 2.4573 2.5055 2.7623 2.7886 4.6223 4.6656 4.8058 4.8476 7.8490 7.8577 10.9015 10.9310 10.9816 10.9829 k = 0.1607 0.2784 0.5308 ( 5166 PWs) bands (ev): -41.1458 -41.1458 -9.5999 -9.5999 -2.5458 -2.5458 -0.3217 -0.3059 -0.0978 -0.0802 1.9831 1.9993 2.4582 2.4995 2.7489 2.7729 4.6359 4.6774 4.8128 4.8529 7.9612 7.9696 10.9136 10.9148 11.0568 11.0860 k = 0.1548 0.2681 0.5308 ( 5174 PWs) bands (ev): -41.1458 -41.1458 -9.6039 -9.6039 -2.5530 -2.5530 -0.3025 -0.2873 -0.0883 -0.0715 1.9390 1.9518 2.4592 2.4946 2.7371 2.7587 4.6498 4.6894 4.8200 4.8584 8.0746 8.0827 10.8473 10.8484 11.2134 11.2422 k = 0.1488 0.2577 0.5308 ( 5162 PWs) bands (ev): -41.1459 -41.1459 -9.6079 -9.6079 -2.5602 -2.5602 -0.2830 -0.2685 -0.0790 -0.0629 1.8947 1.9047 2.4603 2.4906 2.7265 2.7459 4.6639 4.7016 4.8272 4.8639 8.1890 8.1967 10.7825 10.7835 11.3710 11.3995 k = 0.1429 0.2474 0.5308 ( 5158 PWs) bands (ev): -41.1459 -41.1459 -9.6120 -9.6120 -2.5675 -2.5675 -0.2635 -0.2495 -0.0698 -0.0544 1.8505 1.8585 2.4614 2.4874 2.7170 2.7343 4.6781 4.7140 4.8346 4.8695 8.3038 8.3113 10.7194 10.7203 11.5297 11.5577 k = 0.1369 0.2371 0.5308 ( 5162 PWs) bands (ev): -41.1460 -41.1460 -9.6160 -9.6160 -2.5748 -2.5748 -0.2439 -0.2306 -0.0607 -0.0461 1.8070 1.8132 2.4625 2.4847 2.7085 2.7238 4.6925 4.7265 4.8420 4.8751 8.4189 8.4259 10.6579 10.6587 11.6890 11.7166 k = 0.1310 0.2268 0.5308 ( 5162 PWs) bands (ev): -41.1460 -41.1460 -9.6199 -9.6199 -2.5821 -2.5821 -0.2243 -0.2116 -0.0519 -0.0380 1.7642 1.7691 2.4636 2.4826 2.7008 2.7143 4.7070 4.7390 4.8495 4.8807 8.5338 8.5404 10.5981 10.5989 11.8487 11.8758 k = 0.1250 0.2165 0.5308 ( 5168 PWs) bands (ev): -41.1461 -41.1461 -9.6238 -9.6238 -2.5893 -2.5893 -0.2049 -0.1928 -0.0432 -0.0301 1.7226 1.7265 2.4646 2.4808 2.6938 2.7056 4.7215 4.7515 4.8571 4.8864 8.6480 8.6542 10.5402 10.5408 12.0085 12.0350 k = 0.1190 0.2062 0.5308 ( 5172 PWs) bands (ev): -41.1461 -41.1461 -9.6276 -9.6276 -2.5965 -2.5965 -0.1857 -0.1742 -0.0347 -0.0223 1.6822 1.6853 2.4656 2.4793 2.6876 2.6978 4.7360 4.7640 4.8646 4.8920 8.7613 8.7670 10.4840 10.4846 12.1679 12.1938 k = 0.1131 0.1959 0.5308 ( 5180 PWs) bands (ev): -41.1462 -41.1462 -9.6314 -9.6314 -2.6035 -2.6035 -0.1668 -0.1559 -0.0265 -0.0148 1.6433 1.6457 2.4664 2.4780 2.6819 2.6907 4.7504 4.7764 4.8722 4.8976 8.8731 8.8784 10.4298 10.4303 12.3265 12.3517 k = 0.1071 0.1856 0.5308 ( 5172 PWs) bands (ev): -41.1462 -41.1462 -9.6350 -9.6350 -2.6104 -2.6104 -0.1482 -0.1380 -0.0184 -0.0075 1.6060 1.6079 2.4671 2.4768 2.6769 2.6844 4.7646 4.7885 4.8798 4.9032 8.9830 8.9879 10.3776 10.3780 12.4838 12.5082 k = 0.1012 0.1753 0.5308 ( 5168 PWs) bands (ev): -41.1463 -41.1463 -9.6386 -9.6386 -2.6172 -2.6172 -0.1302 -0.1207 -0.0106 -0.0005 1.5703 1.5718 2.4677 2.4757 2.6724 2.6787 4.7786 4.8004 4.8873 4.9087 9.0907 9.0950 10.3274 10.3278 12.6390 12.6625 k = 0.0952 0.1650 0.5308 ( 5164 PWs) bands (ev): -41.1463 -41.1463 -9.6420 -9.6420 -2.6237 -2.6237 -0.1127 -0.1039 -0.0030 0.0063 1.5365 1.5376 2.4681 2.4748 2.6684 2.6736 4.7923 4.8120 4.8948 4.9141 9.1955 9.1993 10.2794 10.2797 12.7915 12.8139 k = 0.0893 0.1546 0.5308 ( 5160 PWs) bands (ev): -41.1464 -41.1464 -9.6452 -9.6452 -2.6300 -2.6300 -0.0959 -0.0878 0.0043 0.0129 1.5045 1.5053 2.4684 2.4738 2.6648 2.6692 4.8056 4.8231 4.9022 4.9195 9.2971 9.3004 10.2336 10.2339 12.9403 12.9615 k = 0.0833 0.1443 0.5308 ( 5176 PWs) bands (ev): -41.1464 -41.1464 -9.6483 -9.6483 -2.6361 -2.6361 -0.0799 -0.0725 0.0114 0.0192 1.4743 1.4750 2.4686 2.4729 2.6617 2.6653 4.8183 4.8337 4.9096 4.9247 9.3949 9.3978 10.1901 10.1903 13.0844 13.1042 k = 0.0774 0.1340 0.5308 ( 5172 PWs) bands (ev): -41.1464 -41.1464 -9.6513 -9.6513 -2.6419 -2.6419 -0.0647 -0.0581 0.0183 0.0252 1.4462 1.4467 2.4686 2.4720 2.6590 2.6618 4.8306 4.8438 4.9168 4.9299 9.4885 9.4909 10.1490 10.1492 13.2228 13.2410 k = 0.0714 0.1237 0.5308 ( 5180 PWs) bands (ev): -41.1465 -41.1465 -9.6541 -9.6541 -2.6474 -2.6474 -0.0505 -0.0447 0.0250 0.0311 1.4200 1.4204 2.4685 2.4712 2.6567 2.6589 4.8421 4.8533 4.9239 4.9350 9.5773 9.5794 10.1105 10.1106 13.3541 13.3705 k = 0.0655 0.1134 0.5308 ( 5180 PWs) bands (ev): -41.1465 -41.1465 -9.6567 -9.6567 -2.6525 -2.6525 -0.0374 -0.0324 0.0315 0.0367 1.3959 1.3962 2.4683 2.4703 2.6547 2.6564 4.8529 4.8621 4.9308 4.9399 9.6610 9.6627 10.0745 10.0746 13.4771 13.4914 k = 0.0595 0.1031 0.5308 ( 5182 PWs) bands (ev): -41.1465 -41.1465 -9.6591 -9.6591 -2.6573 -2.6573 -0.0254 -0.0212 0.0378 0.0421 1.3738 1.3740 2.4680 2.4695 2.6530 2.6543 4.8628 4.8701 4.9375 4.9447 9.7391 9.7404 10.0412 10.0413 13.5902 13.6023 k = 0.0536 0.0928 0.5308 ( 5182 PWs) bands (ev): -41.1466 -41.1466 -9.6613 -9.6613 -2.6617 -2.6617 -0.0146 -0.0113 0.0439 0.0473 1.3538 1.3539 2.4676 2.4687 2.6516 2.6525 4.8718 4.8774 4.9438 4.9493 9.8111 9.8121 10.0108 10.0108 13.6922 13.7020 k = 0.0476 0.0825 0.5308 ( 5178 PWs) bands (ev): -41.1466 -41.1466 -9.6633 -9.6633 -2.6657 -2.6657 -0.0051 -0.0026 0.0497 0.0523 1.3358 1.3359 2.4672 2.4680 2.6504 2.6510 4.8799 4.8840 4.9497 4.9538 9.8766 9.8773 9.9832 9.9833 13.7819 13.7893 k = 0.0417 0.0722 0.5308 ( 5178 PWs) bands (ev): -41.1466 -41.1466 -9.6651 -9.6651 -2.6693 -2.6693 0.0031 0.0049 0.0551 0.0570 1.3200 1.3200 2.4668 2.4673 2.6494 2.6498 4.8870 4.8898 4.9552 4.9580 9.9353 9.9358 9.9587 9.9587 13.8582 13.8634 k = 0.0357 0.0619 0.5308 ( 5178 PWs) bands (ev): -41.1466 -41.1466 -9.6666 -9.6666 -2.6724 -2.6724 0.0101 0.0112 0.0602 0.0614 1.3062 1.3062 2.4663 2.4667 2.6486 2.6489 4.8930 4.8948 4.9601 4.9619 9.9372 9.9372 9.9868 9.9871 13.9207 13.9238 k = 0.0298 0.0515 0.5308 ( 5182 PWs) bands (ev): -41.1467 -41.1467 -9.6679 -9.6679 -2.6751 -2.6751 0.0157 0.0164 0.0647 0.0654 1.2945 1.2946 2.4659 2.4661 2.6480 2.6481 4.8980 4.8991 4.9643 4.9654 9.9188 9.9189 10.0309 10.0311 13.9695 13.9711 k = 0.0238 0.0412 0.5308 ( 5182 PWs) bands (ev): -41.1467 -41.1467 -9.6690 -9.6690 -2.6773 -2.6773 0.0202 0.0206 0.0685 0.0689 1.2850 1.2850 2.4656 2.4657 2.6475 2.6476 4.9020 4.9026 4.9679 4.9685 9.9037 9.9037 10.0673 10.0674 14.0060 14.0067 k = 0.0179 0.0309 0.5308 ( 5190 PWs) bands (ev): -41.1467 -41.1467 -9.6699 -9.6699 -2.6791 -2.6791 0.0236 0.0237 0.0716 0.0718 1.2776 1.2776 2.4653 2.4653 2.6471 2.6471 4.9051 4.9053 4.9707 4.9710 9.8919 9.8919 10.0958 10.0958 14.0322 14.0324 k = 0.0119 0.0206 0.5308 ( 5194 PWs) bands (ev): -41.1467 -41.1467 -9.6705 -9.6705 -2.6803 -2.6803 0.0259 0.0260 0.0739 0.0739 1.2723 1.2723 2.4650 2.4650 2.6469 2.6469 4.9072 4.9073 4.9728 4.9728 9.8835 9.8835 10.1162 10.1162 14.0498 14.0498 k = 0.0060 0.0103 0.5308 ( 5186 PWs) bands (ev): -41.1467 -41.1467 -9.6709 -9.6709 -2.6811 -2.6811 0.0273 0.0273 0.0752 0.0752 1.2691 1.2691 2.4649 2.4649 2.6467 2.6467 4.9085 4.9085 4.9740 4.9740 9.8784 9.8784 10.1285 10.1285 14.0599 14.0599 k = 0.0000 0.0000 0.5308 ( 5182 PWs) bands (ev): -41.1467 -41.1467 -9.6710 -9.6710 -2.6813 -2.6813 0.0277 0.0277 0.0757 0.0757 1.2680 1.2680 2.4648 2.4648 2.6466 2.6466 4.9089 4.9089 4.9744 4.9744 9.8767 9.8767 10.1326 10.1326 14.0632 14.0632 k = 0.5000 0.2887 0.5308 ( 5156 PWs) bands (ev): -41.1452 -41.1452 -9.5488 -9.5488 -2.4593 -2.4593 -0.5868 -0.5868 -0.1562 -0.1562 2.2210 2.2210 2.7910 2.7910 3.4843 3.4843 4.5122 4.5122 4.7727 4.7727 5.6234 5.6234 11.6093 11.6093 11.7130 11.7130 k = 0.5000 0.2887 0.5190 ( 5160 PWs) bands (ev): -41.1452 -41.1452 -9.5502 -9.5502 -2.4558 -2.4557 -0.5860 -0.5860 -0.1553 -0.1552 2.2208 2.2210 2.7909 2.7910 3.4837 3.4840 4.5032 4.5044 4.7694 4.7702 5.6321 5.6323 11.5844 11.5863 11.7156 11.7159 k = 0.5000 0.2887 0.5072 ( 5160 PWs) bands (ev): -41.1452 -41.1452 -9.5543 -9.5543 -2.4451 -2.4450 -0.5838 -0.5838 -0.1523 -0.1522 2.2204 2.2208 2.7908 2.7909 3.4824 3.4830 4.4784 4.4805 4.7605 4.7618 5.6575 5.6580 11.5288 11.5316 11.7236 11.7239 k = 0.5000 0.2887 0.4954 ( 5164 PWs) bands (ev): -41.1452 -41.1452 -9.5612 -9.5611 -2.4275 -2.4273 -0.5801 -0.5801 -0.1473 -0.1472 2.2197 2.2203 2.7906 2.7908 3.4803 3.4811 4.4397 4.4426 4.7459 4.7478 5.6978 5.6984 11.4613 11.4644 11.7367 11.7371 k = 0.5000 0.2887 0.4836 ( 5150 PWs) bands (ev): -41.1452 -41.1452 -9.5707 -9.5706 -2.4029 -2.4027 -0.5749 -0.5749 -0.1404 -0.1402 2.2189 2.2197 2.7903 2.7905 3.4774 3.4785 4.3895 4.3930 4.7260 4.7283 5.7502 5.7509 11.3892 11.3924 11.7549 11.7552 k = 0.5000 0.2887 0.4718 ( 5154 PWs) bands (ev): -41.1452 -41.1452 -9.5827 -9.5827 -2.3714 -2.3711 -0.5683 -0.5682 -0.1315 -0.1312 2.2178 2.2188 2.7899 2.7902 3.4737 3.4750 4.3305 4.3344 4.7010 4.7035 5.8122 5.8130 11.3150 11.3183 11.7778 11.7782 k = 0.5000 0.2887 0.4600 ( 5148 PWs) bands (ev): -41.1452 -41.1452 -9.5972 -9.5972 -2.3332 -2.3329 -0.5602 -0.5601 -0.1205 -0.1202 2.2165 2.2177 2.7895 2.7899 3.4692 3.4707 4.2647 4.2690 4.6708 4.6736 5.8815 5.8823 11.2399 11.2432 11.8054 11.8058 k = 0.5000 0.2887 0.4482 ( 5146 PWs) bands (ev): -41.1452 -41.1452 -9.6141 -9.6141 -2.2884 -2.2880 -0.5507 -0.5505 -0.1077 -0.1073 2.2150 2.2164 2.7890 2.7895 3.4638 3.4656 4.1940 4.1984 4.6358 4.6388 5.9564 5.9572 11.1642 11.1676 11.8374 11.8377 k = 0.5000 0.2887 0.4364 ( 5146 PWs) bands (ev): -41.1452 -41.1452 -9.6332 -9.6331 -2.2372 -2.2368 -0.5397 -0.5395 -0.0928 -0.0923 2.2133 2.2149 2.7885 2.7890 3.4576 3.4595 4.1196 4.1242 4.5961 4.5992 6.0355 6.0361 11.0883 11.0917 11.8733 11.8737 k = 0.5000 0.2887 0.4246 ( 5140 PWs) bands (ev): -41.1453 -41.1453 -9.6543 -9.6542 -2.1798 -2.1794 -0.5272 -0.5270 -0.0760 -0.0755 2.2114 2.2132 2.7878 2.7884 3.4504 3.4525 4.0427 4.0474 4.5519 4.5552 6.1177 6.1182 11.0121 11.0155 11.9130 11.9134 k = 0.5000 0.2887 0.4128 ( 5128 PWs) bands (ev): -41.1453 -41.1453 -9.6772 -9.6772 -2.1165 -2.1160 -0.5134 -0.5132 -0.0572 -0.0566 2.2093 2.2114 2.7871 2.7877 3.4423 3.4444 3.9641 3.9688 4.5035 4.5070 6.2022 6.2026 10.9356 10.9390 11.9560 11.9565 k = 0.5000 0.2887 0.4010 ( 5136 PWs) bands (ev): -41.1453 -41.1453 -9.7019 -9.7019 -2.0474 -2.0468 -0.4981 -0.4979 -0.0364 -0.0358 2.2070 2.2093 2.7863 2.7870 3.4331 3.4352 3.8845 3.8891 4.4510 4.4548 6.2884 6.2886 10.8589 10.8622 12.0020 12.0024 k = 0.5000 0.2887 0.3892 ( 5138 PWs) bands (ev): -41.1453 -41.1453 -9.7281 -9.7280 -1.9728 -1.9721 -0.4815 -0.4812 -0.0137 -0.0131 2.2046 2.2070 2.7855 2.7862 3.4227 3.4247 3.8045 3.8090 4.3948 4.3988 6.3757 6.3757 10.7817 10.7851 12.0505 12.0510 k = 0.5000 0.2887 0.3775 ( 5138 PWs) bands (ev): -41.1454 -41.1454 -9.7556 -9.7556 -1.8930 -1.8922 -0.4635 -0.4631 0.0109 0.0116 2.2019 2.2045 2.7846 2.7854 3.4109 3.4125 3.7248 3.7289 4.3351 4.3393 6.4636 6.4638 10.7042 10.7076 12.1011 12.1016 k = 0.5000 0.2887 0.3657 ( 5138 PWs) bands (ev): -41.1454 -41.1454 -9.7843 -9.7842 -1.8082 -1.8074 -0.4442 -0.4437 0.0374 0.0382 2.1991 2.2019 2.7835 2.7844 3.3970 3.3980 3.6464 3.6497 4.2722 4.2766 6.5518 6.5522 10.6262 10.6296 12.1534 12.1539 k = 0.5000 0.2887 0.3539 ( 5146 PWs) bands (ev): -41.1454 -41.1454 -9.8139 -9.8138 -1.7187 -1.7178 -0.4236 -0.4230 0.0659 0.0668 2.1961 2.1990 2.7824 2.7833 3.3798 3.3801 3.5707 3.5728 4.2063 4.2110 6.6401 6.6407 10.5477 10.5510 12.2070 12.2075 k = 0.5000 0.2887 0.3421 ( 5146 PWs) bands (ev): -41.1455 -41.1455 -9.8443 -9.8442 -1.6249 -1.6237 -0.4016 -0.4010 0.0962 0.0972 2.1929 2.1961 2.7812 2.7822 3.3546 3.3574 3.5009 3.5013 4.1376 4.1427 6.7282 6.7290 10.4685 10.4718 12.2613 12.2619 k = 0.5000 0.2887 0.3303 ( 5140 PWs) bands (ev): -41.1455 -41.1455 -9.8752 -9.8752 -1.5268 -1.5256 -0.3785 -0.3777 0.1285 0.1295 2.1896 2.1929 2.7799 2.7808 3.3163 3.3230 3.4404 3.4443 4.0665 4.0719 6.8159 6.8169 10.3887 10.3919 12.3162 12.3167 k = 0.5000 0.2887 0.3185 ( 5134 PWs) bands (ev): -41.1455 -41.1455 -9.9066 -9.9066 -1.4250 -1.4236 -0.3541 -0.3531 0.1626 0.1636 2.1861 2.1896 2.7785 2.7793 3.2609 3.2705 3.3974 3.4041 3.9931 3.9989 6.9029 6.9041 10.3082 10.3114 12.3710 12.3715 k = 0.5000 0.2887 0.3067 ( 5134 PWs) bands (ev): -41.1456 -41.1456 -9.9383 -9.9382 -1.3197 -1.3180 -0.3285 -0.3273 0.1985 0.1997 2.1824 2.1861 2.7769 2.7775 3.1935 3.2042 3.3681 3.3755 3.9177 3.9240 6.9890 6.9905 10.2270 10.2301 12.4255 12.4260 k = 0.5000 0.2887 0.2949 ( 5142 PWs) bands (ev): -41.1456 -41.1456 -9.9700 -9.9699 -1.2111 -1.2092 -0.3018 -0.3004 0.2363 0.2375 2.1786 2.1824 2.7750 2.7753 3.1206 3.1321 3.3446 3.3520 3.8406 3.8473 7.0741 7.0757 10.1452 10.1482 12.4792 12.4797 k = 0.5000 0.2887 0.2831 ( 5140 PWs) bands (ev): -41.1456 -41.1456 -10.0016 -10.0015 -1.0997 -1.0975 -0.2740 -0.2723 0.2759 0.2772 2.1746 2.1786 2.7724 2.7728 3.0460 3.0583 3.3231 3.3303 3.7618 3.7692 7.1578 7.1597 10.0627 10.0656 12.5319 12.5324 k = 0.5000 0.2887 0.2713 ( 5148 PWs) bands (ev): -41.1457 -41.1457 -10.0330 -10.0329 -0.9857 -0.9831 -0.2451 -0.2431 0.3173 0.3187 2.1704 2.1746 2.7681 2.7699 2.9715 2.9854 3.3018 3.3088 3.6818 3.6898 7.2401 7.2422 9.9796 9.9825 12.5832 12.5837 k = 0.5000 0.2887 0.2595 ( 5148 PWs) bands (ev): -41.1457 -41.1457 -10.0640 -10.0640 -0.8695 -0.8664 -0.2153 -0.2128 0.3605 0.3620 2.1660 2.1704 2.7608 2.7653 2.8986 2.9157 3.2801 3.2868 3.6006 3.6095 7.3208 7.3230 9.8961 9.8989 12.6329 12.6334 k = 0.5000 0.2887 0.2477 ( 5146 PWs) bands (ev): -41.1457 -41.1457 -10.0945 -10.0945 -0.7514 -0.7477 -0.1846 -0.1814 0.4054 0.4070 2.1615 2.1660 2.7450 2.7549 2.8320 2.8551 3.2575 3.2639 3.5185 3.5284 7.3995 7.4019 9.8122 9.8150 12.6807 12.6812 k = 0.5000 0.2887 0.2359 ( 5146 PWs) bands (ev): -41.1458 -41.1458 -10.1244 -10.1243 -0.6320 -0.6273 -0.1531 -0.1489 0.4521 0.4538 2.1567 2.1614 2.7093 2.7207 2.7899 2.8152 3.2338 3.2397 3.4358 3.4471 7.4763 7.4788 9.7283 9.7309 12.7265 12.7270 k = 0.5000 0.2887 0.2241 ( 5146 PWs) bands (ev): -41.1458 -41.1458 -10.1535 -10.1535 -0.5116 -0.5056 -0.1207 -0.1152 0.5004 0.5022 2.1516 2.1566 2.6529 2.6589 2.7761 2.7971 3.2085 3.2137 3.3529 3.3661 7.5508 7.5534 9.6445 9.6470 12.7700 12.7705 k = 0.5000 0.2887 0.2123 ( 5140 PWs) bands (ev): -41.1459 -41.1459 -10.1817 -10.1817 -0.3911 -0.3830 -0.0878 -0.0802 0.5504 0.5524 2.1463 2.1514 2.5880 2.5907 2.7698 2.7888 3.1808 3.1847 3.2707 3.2867 7.6228 7.6256 9.5610 9.5634 12.8112 12.8117 k = 0.5000 0.2887 0.2005 ( 5144 PWs) bands (ev): -41.1459 -41.1459 -10.2090 -10.2090 -0.2715 -0.2597 -0.0543 -0.0429 0.6021 0.6041 2.1406 2.1460 2.5210 2.5219 2.7647 2.7838 3.1461 3.1486 3.1940 3.2134 7.6922 7.6951 9.4782 9.4805 12.8499 12.8504 k = 0.5000 0.2887 0.1887 ( 5144 PWs) bands (ev): -41.1459 -41.1459 -10.2352 -10.2352 -0.1560 -0.1363 -0.0203 -0.0010 0.6554 0.6575 2.1344 2.1401 2.4542 2.4542 2.7592 2.7802 3.0857 3.0942 3.1415 3.1580 7.7588 7.7618 9.3965 9.3987 12.8862 12.8866 k = 0.5000 0.2887 0.1769 ( 5146 PWs) bands (ev): -41.1460 -41.1460 -10.2602 -10.2602 -0.0542 -0.0131 0.0140 0.0548 0.7102 0.7125 2.1277 2.1336 2.3880 2.3885 2.7521 2.7770 3.0064 3.0235 3.1070 3.1194 7.8225 7.8254 9.3163 9.3184 12.9198 12.9202 k = 0.5000 0.2887 0.1651 ( 5160 PWs) bands (ev): -41.1460 -41.1460 -10.2840 -10.2840 0.0166 0.0480 0.1098 0.1410 0.7666 0.7690 2.1203 2.1265 2.3237 2.3245 2.7413 2.7737 2.9239 2.9507 3.0748 3.0856 7.8829 7.8859 9.2379 9.2399 12.9510 12.9513 k = 0.5000 0.2887 0.1533 ( 5152 PWs) bands (ev): -41.1460 -41.1460 -10.3065 -10.3064 0.0640 0.0823 0.2314 0.2495 0.8244 0.8270 2.1118 2.1183 2.2619 2.2627 2.7225 2.7689 2.8422 2.8843 3.0426 3.0524 7.9399 7.9429 9.1619 9.1638 12.9796 12.9799 k = 0.5000 0.2887 0.1415 ( 5148 PWs) bands (ev): -41.1461 -41.1461 -10.3275 -10.3275 0.1035 0.1162 0.3515 0.3642 0.8836 0.8863 2.1017 2.1085 2.2031 2.2039 2.6875 2.7441 2.7805 2.8336 3.0100 3.0192 7.9934 7.9964 9.0888 9.0906 13.0057 13.0060 k = 0.5000 0.2887 0.1297 ( 5156 PWs) bands (ev): -41.1461 -41.1461 -10.3471 -10.3471 0.1398 0.1496 0.4695 0.4794 0.9441 0.9470 2.0880 2.0949 2.1495 2.1504 2.6322 2.6688 2.7693 2.8028 2.9773 2.9861 8.0432 8.0461 9.0190 9.0208 13.0294 13.0297 k = 0.5000 0.2887 0.1180 ( 5162 PWs) bands (ev): -41.1461 -41.1461 -10.3652 -10.3652 0.1742 0.1822 0.5849 0.5930 1.0059 1.0090 2.0638 2.0688 2.1078 2.1109 2.5640 2.5877 2.7637 2.7849 2.9449 2.9533 8.0891 8.0920 8.9532 8.9548 13.0507 13.0510 k = 0.5000 0.2887 0.1062 ( 5158 PWs) bands (ev): -41.1461 -41.1461 -10.3817 -10.3817 0.2069 0.2136 0.6969 0.7039 1.0688 1.0720 2.0238 2.0262 2.0836 2.0895 2.4906 2.5070 2.7575 2.7718 2.9139 2.9219 8.1310 8.1337 8.8917 8.8933 13.0697 13.0699 k = 0.5000 0.2887 0.0944 ( 5154 PWs) bands (ev): -41.1462 -41.1462 -10.3966 -10.3966 0.2377 0.2435 0.8049 0.8111 1.1325 1.1359 1.9792 1.9803 2.0655 2.0727 2.4158 2.4276 2.7492 2.7595 2.8855 2.8930 8.1687 8.1713 8.8353 8.8368 13.0864 13.0866 k = 0.5000 0.2887 0.0826 ( 5140 PWs) bands (ev): -41.1462 -41.1462 -10.4099 -10.4099 0.2665 0.2714 0.9079 0.9135 1.1969 1.2005 1.9363 1.9366 2.0471 2.0552 2.3418 2.3503 2.7380 2.7457 2.8612 2.8681 8.2021 8.2045 8.7843 8.7857 13.1010 13.1012 k = 0.5000 0.2887 0.0708 ( 5140 PWs) bands (ev): -41.1462 -41.1462 -10.4214 -10.4214 0.2928 0.2970 1.0050 1.0099 1.2616 1.2653 1.8965 1.8969 2.0262 2.0353 2.2703 2.2760 2.7233 2.7293 2.8423 2.8483 8.2311 8.2333 8.7393 8.7406 13.1135 13.1136 k = 0.5000 0.2887 0.0590 ( 5146 PWs) bands (ev): -41.1462 -41.1462 -10.4313 -10.4312 0.3162 0.3197 1.0946 1.0990 1.3259 1.3298 1.8605 1.8616 2.0019 2.0119 2.2029 2.2063 2.7060 2.7108 2.8289 2.8339 8.2555 8.2575 8.7007 8.7018 13.1239 13.1240 k = 0.5000 0.2887 0.0472 ( 5146 PWs) bands (ev): -41.1462 -41.1462 -10.4393 -10.4393 0.3363 0.3391 1.1751 1.1790 1.3889 1.3929 1.8291 1.8309 1.9734 1.9842 2.1424 2.1437 2.6880 2.6918 2.8201 2.8240 8.2755 8.2771 8.6688 8.6698 13.1324 13.1325 k = 0.5000 0.2887 0.0354 ( 5150 PWs) bands (ev): -41.1462 -41.1462 -10.4456 -10.4456 0.3526 0.3547 1.2440 1.2472 1.4490 1.4528 1.8024 1.8047 1.9411 1.9519 2.0916 2.0919 2.6716 2.6745 2.8146 2.8175 8.2909 8.2922 8.6439 8.6447 13.1389 13.1390 k = 0.5000 0.2887 0.0236 ( 5150 PWs) bands (ev): -41.1462 -41.1462 -10.4501 -10.4501 0.3647 0.3661 1.2980 1.3004 1.5031 1.5064 1.7803 1.7827 1.9082 1.9175 2.0533 2.0542 2.6587 2.6607 2.8114 2.8133 8.3018 8.3027 8.6261 8.6267 13.1435 13.1436 k = 0.5000 0.2887 0.0118 ( 5154 PWs) bands (ev): -41.1462 -41.1462 -10.4529 -10.4529 0.3722 0.3729 1.3332 1.3345 1.5448 1.5469 1.7637 1.7652 1.8831 1.8886 2.0302 2.0309 2.6507 2.6517 2.8099 2.8108 8.3084 8.3089 8.6156 8.6158 13.1463 13.1463 k = 0.5000 0.2887-0.0000 ( 5160 PWs) bands (ev): -41.1462 -41.1462 -10.4538 -10.4538 0.3749 0.3749 1.3459 1.3459 1.5622 1.5622 1.7572 1.7572 1.8753 1.8753 2.0228 2.0228 2.6483 2.6483 2.8097 2.8097 8.3107 8.3107 8.6121 8.6121 13.1472 13.1472 k = 0.3333 0.5774-0.0000 ( 5136 PWs) bands (ev): -41.1460 -41.1460 -10.4348 -10.4348 0.5056 0.5253 0.9607 0.9762 1.3802 1.3806 1.7674 1.7958 1.8634 1.8943 2.4324 2.4334 2.5689 2.5997 2.7359 2.7588 8.9223 8.9362 9.2029 9.2181 10.1267 10.1268 k = 0.3333 0.5774 0.0118 ( 5160 PWs) bands (ev): -41.1460 -41.1460 -10.4339 -10.4339 0.5026 0.5224 0.9558 0.9719 1.3685 1.3690 1.7730 1.8002 1.8676 1.8981 2.4400 2.4410 2.5693 2.6007 2.7362 2.7594 8.9196 8.9335 9.2024 9.2177 10.1314 10.1314 k = 0.3333 0.5774 0.0236 ( 5148 PWs) bands (ev): -41.1460 -41.1460 -10.4312 -10.4312 0.4936 0.5139 0.9417 0.9593 1.3347 1.3354 1.7893 1.8131 1.8800 1.9092 2.4619 2.4629 2.5704 2.6037 2.7370 2.7613 8.9116 8.9256 9.2010 9.2164 10.1453 10.1454 k = 0.3333 0.5774 0.0354 ( 5151 PWs) bands (ev): -41.1460 -41.1460 -10.4267 -10.4267 0.4789 0.5001 0.9192 0.9392 1.2818 1.2828 1.8148 1.8336 1.8996 1.9275 2.4956 2.4966 2.5725 2.6089 2.7385 2.7645 8.8983 8.9124 9.1986 9.2142 10.1685 10.1686 k = 0.3333 0.5774 0.0472 ( 5151 PWs) bands (ev): -41.1460 -41.1460 -10.4204 -10.4204 0.4591 0.4814 0.8898 0.9127 1.2132 1.2147 1.8478 1.8610 1.9251 1.9523 2.5379 2.5390 2.5755 2.6164 2.7406 2.7693 8.8797 8.8940 9.1952 9.2110 10.2007 10.2008 k = 0.3333 0.5774 0.0590 ( 5151 PWs) bands (ev): -41.1460 -41.1460 -10.4124 -10.4124 0.4348 0.4584 0.8548 0.8809 1.1323 1.1344 1.8865 1.8944 1.9552 1.9829 2.5797 2.5858 2.5872 2.6264 2.7435 2.7757 8.8561 8.8707 9.1908 9.2069 10.2418 10.2419 k = 0.3333 0.5774 0.0708 ( 5151 PWs) bands (ev): -41.1460 -41.1460 -10.4026 -10.4026 0.4066 0.4316 0.8153 0.8449 1.0415 1.0447 1.9296 1.9330 1.9887 2.0182 2.5853 2.6368 2.6386 2.6392 2.7475 2.7843 8.8276 8.8424 9.1852 9.2017 10.2915 10.2915 k = 0.3333 0.5774 0.0826 ( 5151 PWs) bands (ev): -41.1460 -41.1460 -10.3910 -10.3910 0.3753 0.4017 0.7721 0.8059 0.9431 0.9480 1.9756 1.9762 2.0243 2.0571 2.5924 2.6553 2.6884 2.6905 2.7534 2.7958 8.7943 8.8094 9.1783 9.1953 10.3493 10.3494 k = 0.3333 0.5774 0.0944 ( 5142 PWs) bands (ev): -41.1459 -41.1459 -10.3778 -10.3778 0.3413 0.3692 0.7247 0.7645 0.8385 0.8471 2.0231 2.0234 2.0610 2.0985 2.6016 2.6751 2.7354 2.7378 2.7677 2.8121 8.7564 8.7719 9.1702 9.1878 10.4151 10.4152 k = 0.3333 0.5774 0.1062 ( 5148 PWs) bands (ev): -41.1459 -41.1459 -10.3629 -10.3629 0.3052 0.3347 0.6690 0.7216 0.7291 0.7483 2.0719 2.0730 2.0975 2.1412 2.6133 2.6992 2.7547 2.7801 2.8082 2.8375 8.7142 8.7301 9.1606 9.1788 10.4884 10.4885 k = 0.3333 0.5774 0.1180 ( 5148 PWs) bands (ev): -41.1459 -41.1459 -10.3465 -10.3465 0.2674 0.2987 0.5895 0.6160 0.6684 0.6776 2.1203 2.1254 2.1328 2.1843 2.6282 2.7279 2.7645 2.8115 2.8584 2.8757 8.6679 8.6842 9.1495 9.1684 10.5687 10.5688 k = 0.3333 0.5774 0.1297 ( 5148 PWs) bands (ev): -41.1459 -41.1459 -10.3284 -10.3284 0.2281 0.2614 0.4843 0.5001 0.6108 0.6330 2.1657 2.1676 2.1792 2.2266 2.6472 2.7616 2.7743 2.8374 2.9088 2.9211 8.6177 8.6344 9.1367 9.1563 10.6556 10.6557 k = 0.3333 0.5774 0.1415 ( 5163 PWs) bands (ev): -41.1459 -41.1459 -10.3088 -10.3088 0.1874 0.2234 0.3691 0.3826 0.5605 0.5881 2.1957 2.2130 2.2339 2.2668 2.6711 2.7857 2.8006 2.8637 2.9578 2.9683 8.5640 8.5811 9.1220 9.1426 10.7487 10.7487 k = 0.3333 0.5774 0.1533 ( 5157 PWs) bands (ev): -41.1458 -41.1458 -10.2878 -10.2878 0.1436 0.1850 0.2499 0.2658 0.5127 0.5433 2.2224 2.2557 2.2884 2.3038 2.7010 2.7995 2.8447 2.8927 3.0051 3.0151 8.5068 8.5244 9.1054 9.1269 10.8473 10.8474 k = 0.3333 0.5774 0.1651 ( 5157 PWs) bands (ev): -41.1458 -41.1458 -10.2654 -10.2654 0.0880 0.1284 0.1463 0.1595 0.4661 0.4988 2.2457 2.2952 2.3367 2.3416 2.7375 2.8166 2.8938 2.9256 3.0504 3.0608 8.4465 8.4647 9.0867 9.1091 10.9510 10.9511 k = 0.3333 0.5774 0.1769 ( 5151 PWs) bands (ev): -41.1458 -41.1458 -10.2417 -10.2417 -0.0058 0.0057 0.0905 0.1077 0.4206 0.4547 2.2658 2.3308 2.3648 2.3925 2.7807 2.8379 2.9475 2.9627 3.0938 3.1051 8.3834 8.4020 9.0657 9.0892 11.0594 11.0595 k = 0.3333 0.5774 0.1887 ( 5163 PWs) bands (ev): -41.1457 -41.1457 -10.2167 -10.2167 -0.1225 -0.1177 0.0443 0.0693 0.3760 0.4114 2.2831 2.3625 2.3884 2.4396 2.8305 2.8644 3.0039 3.0052 3.1352 3.1482 8.3177 8.3368 9.0423 9.0669 11.1719 11.1719 k = 0.3333 0.5774 0.2005 ( 5157 PWs) bands (ev): -41.1457 -41.1457 -10.1906 -10.1906 -0.2438 -0.2412 0.0032 0.0313 0.3324 0.3687 2.2978 2.3903 2.4078 2.4819 2.8860 2.8970 3.0488 3.0665 3.1748 3.1904 8.2496 8.2692 9.0163 9.0421 11.2879 11.2880 k = 0.3333 0.5774 0.2123 ( 5163 PWs) bands (ev): -41.1457 -41.1457 -10.1633 -10.1633 -0.3661 -0.3645 -0.0361 -0.0062 0.2900 0.3270 2.3103 2.4143 2.4237 2.5185 2.9363 2.9464 3.0964 3.1309 3.2126 3.2324 8.1794 8.1995 8.9877 9.0147 11.4070 11.4071 k = 0.3333 0.5774 0.2241 ( 5172 PWs) bands (ev): -41.1456 -41.1456 -10.1352 -10.1352 -0.4882 -0.4871 -0.0740 -0.0429 0.2486 0.2863 2.3210 2.4350 2.4368 2.5493 2.9821 3.0108 3.1455 3.1979 3.2488 3.2750 8.1074 8.1279 8.9563 8.9845 11.5288 11.5288 k = 0.3333 0.5774 0.2359 ( 5175 PWs) bands (ev): -41.1456 -41.1456 -10.1061 -10.1061 -0.6095 -0.6087 -0.1108 -0.0789 0.2084 0.2467 2.3301 2.4478 2.4526 2.5746 3.0336 3.0784 3.1940 3.2670 3.2837 3.3199 8.0336 8.0547 8.9221 8.9516 11.6526 11.6527 k = 0.3333 0.5774 0.2477 ( 5169 PWs) bands (ev): -41.1456 -41.1456 -10.0763 -10.0763 -0.7296 -0.7290 -0.1466 -0.1140 0.1695 0.2082 2.3380 2.4571 2.4676 2.5952 3.0897 3.1484 3.2399 3.3177 3.3380 3.3686 7.9585 7.9799 8.8850 8.9158 11.7782 11.7783 k = 0.3333 0.5774 0.2595 ( 5157 PWs) bands (ev): -41.1455 -41.1455 -10.0459 -10.0459 -0.8479 -0.8475 -0.1812 -0.1481 0.1318 0.1709 2.3448 2.4650 2.4805 2.6120 3.1486 3.2205 3.2814 3.3514 3.4104 3.4224 7.8821 7.9040 8.8450 8.8772 11.9049 11.9051 k = 0.3333 0.5774 0.2713 ( 5151 PWs) bands (ev): -41.1455 -41.1455 -10.0149 -10.0149 -0.9643 -0.9640 -0.2147 -0.1811 0.0955 0.1349 2.3506 2.4720 2.4914 2.6257 3.2085 3.2939 3.3180 3.3859 3.4815 3.4839 7.8047 7.8270 8.8022 8.8357 12.0326 12.0327 k = 0.3333 0.5774 0.2831 ( 5157 PWs) bands (ev): -41.1454 -41.1454 -9.9836 -9.9836 -1.0784 -1.0782 -0.2470 -0.2131 0.0606 0.1003 2.3558 2.4780 2.5009 2.6371 3.2667 3.3503 3.3684 3.4228 3.5449 3.5584 7.7266 7.7493 8.7566 8.7914 12.1606 12.1607 k = 0.3333 0.5774 0.2949 ( 5160 PWs) bands (ev): -41.1454 -41.1454 -9.9521 -9.9521 -1.1899 -1.1896 -0.2781 -0.2438 0.0271 0.0670 2.3602 2.4834 2.5090 2.6467 3.3200 3.3791 3.4436 3.4649 3.6116 3.6336 7.6479 7.6709 8.7084 8.7445 12.2887 12.2888 k = 0.3333 0.5774 0.3067 ( 5145 PWs) bands (ev): -41.1454 -41.1454 -9.9205 -9.9205 -1.2983 -1.2982 -0.3079 -0.2733 -0.0050 0.0351 2.3642 2.4883 2.5160 2.6549 3.3653 3.4051 3.5145 3.5190 3.6805 3.7092 7.5689 7.5922 8.6578 8.6952 12.4165 12.4166 k = 0.3333 0.5774 0.3185 ( 5145 PWs) bands (ev): -41.1453 -41.1453 -9.8889 -9.8889 -1.4036 -1.4034 -0.3363 -0.3016 -0.0356 0.0047 2.3677 2.4927 2.5221 2.6619 3.4021 3.4287 3.5719 3.5945 3.7510 3.7850 7.4897 7.5133 8.6049 8.6436 12.5437 12.5438 k = 0.3333 0.5774 0.3303 ( 5142 PWs) bands (ev): -41.1453 -41.1453 -9.8576 -9.8576 -1.5052 -1.5051 -0.3634 -0.3285 -0.0646 -0.0243 2.3707 2.4966 2.5275 2.6681 3.4319 3.4502 3.6350 3.6697 3.8224 3.8608 7.4107 7.4344 8.5502 8.5900 12.6700 12.6701 k = 0.3333 0.5774 0.3421 ( 5136 PWs) bands (ev): -41.1453 -41.1453 -9.8267 -9.8267 -1.6030 -1.6029 -0.3891 -0.3540 -0.0922 -0.0517 2.3734 2.5002 2.5321 2.6735 3.4568 3.4700 3.7013 3.7441 3.8943 3.9363 7.3320 7.3559 8.4939 8.5349 12.7951 12.7952 k = 0.3333 0.5774 0.3539 ( 5139 PWs) bands (ev): -41.1452 -41.1452 -9.7964 -9.7964 -1.6967 -1.6966 -0.4134 -0.3782 -0.1181 -0.0776 2.3759 2.5036 2.5362 2.6782 3.4782 3.4882 3.7690 3.8176 3.9663 4.0114 7.2539 7.2779 8.4365 8.4785 12.9188 12.9189 k = 0.3333 0.5774 0.3657 ( 5142 PWs) bands (ev): -41.1452 -41.1452 -9.7669 -9.7669 -1.7860 -1.7859 -0.4362 -0.4009 -0.1425 -0.1019 2.3780 2.5066 2.5398 2.6825 3.4970 3.5049 3.8369 3.8897 4.0379 4.0857 7.1768 7.2008 8.3785 8.4214 13.0408 13.0409 k = 0.3333 0.5774 0.3775 ( 5142 PWs) bands (ev): -41.1452 -41.1452 -9.7383 -9.7383 -1.8706 -1.8705 -0.4576 -0.4222 -0.1653 -0.1246 2.3799 2.5094 2.5429 2.6863 3.5138 3.5202 3.9041 3.9601 4.1089 4.1590 7.1008 7.1248 8.3202 8.3641 13.0546 13.0659 k = 0.3333 0.5774 0.3892 ( 5148 PWs) bands (ev): -41.1451 -41.1451 -9.7109 -9.7109 -1.9502 -1.9501 -0.4775 -0.4419 -0.1865 -0.1457 2.3816 2.5119 2.5457 2.6897 3.5289 3.5342 3.9698 4.0283 4.1786 4.2309 7.0265 7.0504 8.2624 8.3071 13.0128 13.0232 k = 0.3333 0.5774 0.4010 ( 5142 PWs) bands (ev): -41.1451 -41.1451 -9.6848 -9.6848 -2.0245 -2.0245 -0.4958 -0.4602 -0.2060 -0.1652 2.3831 2.5142 2.5481 2.6928 3.5423 3.5469 4.0334 4.0939 4.2469 4.3010 6.9541 6.9778 8.2056 8.2511 12.9756 12.9853 k = 0.3333 0.5774 0.4128 ( 5136 PWs) bands (ev): -41.1451 -41.1451 -9.6602 -9.6602 -2.0934 -2.0934 -0.5126 -0.4770 -0.2239 -0.1831 2.3844 2.5163 2.5503 2.6955 3.5544 3.5584 4.0943 4.1564 4.3130 4.3690 6.8842 6.9076 8.1504 8.1965 12.9426 12.9517 k = 0.3333 0.5774 0.4246 ( 5124 PWs) bands (ev): -41.1451 -41.1450 -9.6373 -9.6373 -2.1566 -2.1565 -0.5279 -0.4922 -0.2401 -0.1992 2.3856 2.5182 2.5521 2.6979 3.5652 3.5687 4.1520 4.2154 4.3766 4.4342 6.8172 6.8403 8.0975 8.1442 12.9138 12.9223 k = 0.3333 0.5774 0.4364 ( 5124 PWs) bands (ev): -41.1450 -41.1450 -9.6163 -9.6163 -2.2138 -2.2137 -0.5415 -0.5058 -0.2546 -0.2138 2.3866 2.5198 2.5537 2.7000 3.5746 3.5778 4.2057 4.2702 4.4369 4.4960 6.7539 6.7766 8.0476 8.0948 12.8888 12.8968 k = 0.3333 0.5774 0.4482 ( 5136 PWs) bands (ev): -41.1450 -41.1450 -9.5973 -9.5973 -2.2648 -2.2648 -0.5536 -0.5179 -0.2675 -0.2266 2.3875 2.5213 2.5551 2.7019 3.5829 3.5858 4.2549 4.3203 4.4933 4.5539 6.6948 6.7170 8.0013 8.0491 12.8673 12.8748 k = 0.3333 0.5774 0.4600 ( 5136 PWs) bands (ev): -41.1450 -41.1450 -9.5805 -9.5805 -2.3094 -2.3094 -0.5642 -0.5284 -0.2786 -0.2377 2.3882 2.5226 2.5563 2.7035 3.5900 3.5927 4.2992 4.3653 4.5450 4.6069 6.6409 6.6625 7.9595 8.0076 12.8492 12.8563 k = 0.3333 0.5774 0.4718 ( 5151 PWs) bands (ev): -41.1450 -41.1450 -9.5660 -9.5660 -2.3475 -2.3475 -0.5731 -0.5373 -0.2881 -0.2472 2.3888 2.5236 2.5572 2.7048 3.5960 3.5986 4.3377 4.4045 4.5910 4.6541 6.5929 6.6139 7.9227 7.9711 12.8342 12.8410 k = 0.3333 0.5774 0.4836 ( 5145 PWs) bands (ev): -41.1450 -41.1450 -9.5540 -9.5540 -2.3789 -2.3789 -0.5804 -0.5446 -0.2958 -0.2549 2.3893 2.5245 2.5580 2.7059 3.6009 3.6033 4.3702 4.4374 4.6306 4.6947 6.5518 6.5723 7.8917 7.9403 12.8222 12.8288 k = 0.3333 0.5774 0.4954 ( 5145 PWs) bands (ev): -41.1450 -41.1450 -9.5445 -9.5445 -2.4035 -2.4035 -0.5861 -0.5502 -0.3018 -0.2610 2.3897 2.5252 2.5586 2.7067 3.6047 3.6070 4.3959 4.4636 4.6626 4.7276 6.5185 6.5385 7.8668 7.9156 12.8130 12.8194 k = 0.3333 0.5774 0.5072 ( 5151 PWs) bands (ev): -41.1450 -41.1450 -9.5377 -9.5377 -2.4211 -2.4211 -0.5901 -0.5543 -0.3061 -0.2653 2.3900 2.5257 2.5590 2.7073 3.6074 3.6096 4.4147 4.4826 4.6862 4.7520 6.4940 6.5136 7.8487 7.8977 12.8065 12.8128 k = 0.3333 0.5774 0.5190 ( 5157 PWs) bands (ev): -41.1450 -41.1450 -9.5336 -9.5336 -2.4317 -2.4317 -0.5926 -0.5567 -0.3087 -0.2678 2.3902 2.5259 2.5593 2.7077 3.6090 3.6112 4.4260 4.4941 4.7007 4.7669 6.4790 6.4983 7.8377 7.8867 12.8027 12.8088 k = 0.3333 0.5774 0.5308 ( 5166 PWs) bands (ev): -41.1450 -41.1450 -9.5322 -9.5322 -2.4352 -2.4352 -0.5934 -0.5575 -0.3096 -0.2687 2.3902 2.5260 2.5594 2.7078 3.6095 3.6117 4.4298 4.4979 4.7056 4.7719 6.4740 6.4932 7.8340 7.8831 12.8014 12.8075 Writing output data file LiNiN.save init_run : 2.34s CPU 12.80s WALL ( 1 calls) electrons : 232.15s CPU 236.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.25s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 232.11s CPU 236.09s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.80s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.15s CPU 0.46s WALL ( 1 calls) newd : 0.29s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 410 calls) cegterg : 190.34s CPU 191.66s WALL ( 723 calls) Called by sum_band: Called by *egterg: h_psi : 116.28s CPU 121.63s WALL ( 11367 calls) s_psi : 6.60s CPU 6.90s WALL ( 11367 calls) g_psi : 0.35s CPU 0.48s WALL ( 10234 calls) cdiaghg : 43.21s CPU 40.44s WALL ( 10644 calls) cegterg:over : 16.83s CPU 15.07s WALL ( 10234 calls) cegterg:upda : 2.20s CPU 4.56s WALL ( 10234 calls) cegterg:last : 2.65s CPU 3.41s WALL ( 1951 calls) Called by h_psi: h_psi:vloc : 101.13s CPU 105.64s WALL ( 11367 calls) h_psi:vnl : 14.99s CPU 15.61s WALL ( 11367 calls) add_vuspsi : 3.46s CPU 5.53s WALL ( 11367 calls) General routines calbec : 11.50s CPU 9.99s WALL ( 11367 calls) fft : 0.33s CPU 1.14s WALL ( 15 calls) fftw : 97.36s CPU 101.38s WALL ( 623604 calls) davcio : 0.03s CPU 1.93s WALL ( 820 calls) Parallel routines fft_scatter : 63.36s CPU 65.64s WALL ( 623619 calls) PWSCF : 4m46.57s CPU 6m52.70s WALL This run was terminated on: 15: 8:35 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=