Program PWSCF v.5.1.1 starts on 20Jun2015 at 17:11: 8 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: ./GaP.save/ file Ga.rel-pbe-dnl-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 17 12 3 665 408 65 Max 18 13 4 674 429 74 Sum 847 613 187 32127 20041 3357 bravais-lattice index = 14 lattice parameter (alat) = 7.1110 a.u. unit-cell volume = 510.5999 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.111039 celldm(2)= 1.000000 celldm(3)= 1.639649 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.639649 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.609887 ) PseudoPot. # 1 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa 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 1147 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 Ga 13.00 69.72300 Ga( 1.00) P 5.00 30.97380 P( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8198246 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8198246 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8198246 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8198246 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8198246 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8198246 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0028329 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0028329 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0028329 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0028329 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0028329 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0028329 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0028329 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0028329 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0028329 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0028329 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0028329 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0028329 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0028329 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0028329 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0028329 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0028329 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0028329 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0028329 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0028329 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0028329 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0028329 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0028329 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0028329 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0028329 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0028329 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0028329 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0028329 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0028329 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0028329 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0028329 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0028329 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0028329 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0028329 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0028329 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0028329 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0028329 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0028329 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0028329 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0028329 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0028329 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0028329 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0028329 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0028329 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0028329 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0028329 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0028329 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0028329 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0028329 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 52) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028329 k( 53) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028329 k( 54) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028329 k( 55) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028329 k( 56) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028329 k( 57) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028329 k( 58) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028329 k( 59) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028329 k( 60) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028329 k( 61) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028329 k( 62) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028329 k( 63) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028329 k( 64) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028329 k( 65) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028329 k( 66) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028329 k( 67) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028329 k( 68) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028329 k( 69) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028329 k( 70) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028329 k( 71) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028329 k( 72) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028329 k( 73) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028329 k( 74) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028329 k( 75) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028329 k( 76) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028329 k( 77) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028329 k( 78) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028329 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 81) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0028329 k( 82) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0028329 k( 83) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0028329 k( 84) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0028329 k( 85) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0028329 k( 86) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0028329 k( 87) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0028329 k( 88) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0028329 k( 89) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0028329 k( 90) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0028329 k( 91) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0028329 k( 92) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0028329 k( 93) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0028329 k( 94) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028329 k( 95) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0028329 k( 96) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0028329 k( 97) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0028329 k( 98) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0028329 k( 99) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0028329 k( 100) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0028329 k( 101) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0028329 k( 102) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0028329 k( 103) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0028329 k( 104) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0028329 k( 105) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0028329 k( 106) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0028329 k( 107) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0028329 k( 108) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028329 k( 109) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0028329 k( 110) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0028329 k( 111) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0028329 k( 112) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0028329 k( 113) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0028329 k( 114) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0028329 k( 115) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0028329 k( 116) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0028329 k( 117) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0028329 k( 118) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0028329 k( 119) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0028329 k( 120) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0028329 k( 121) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0028329 k( 122) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028329 k( 123) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0028329 k( 124) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0028329 k( 125) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0028329 k( 126) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0028329 k( 127) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0028329 k( 128) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0028329 k( 129) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0028329 k( 130) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0028329 k( 131) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0028329 k( 132) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0028329 k( 133) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0028329 k( 134) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0028329 k( 135) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0028329 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 138) = ( 0.0000000 0.0000000 0.0117286), wk = 0.0028329 k( 139) = ( 0.0000000 0.0000000 0.0234572), wk = 0.0028329 k( 140) = ( 0.0000000 0.0000000 0.0351858), wk = 0.0028329 k( 141) = ( 0.0000000 0.0000000 0.0469144), wk = 0.0028329 k( 142) = ( 0.0000000 0.0000000 0.0586429), wk = 0.0028329 k( 143) = ( 0.0000000 0.0000000 0.0703715), wk = 0.0028329 k( 144) = ( 0.0000000 0.0000000 0.0821001), wk = 0.0028329 k( 145) = ( 0.0000000 0.0000000 0.0938287), wk = 0.0028329 k( 146) = ( 0.0000000 0.0000000 0.1055573), wk = 0.0028329 k( 147) = ( 0.0000000 0.0000000 0.1172859), wk = 0.0028329 k( 148) = ( 0.0000000 0.0000000 0.1290145), wk = 0.0028329 k( 149) = ( 0.0000000 0.0000000 0.1407430), wk = 0.0028329 k( 150) = ( 0.0000000 0.0000000 0.1524716), wk = 0.0028329 k( 151) = ( 0.0000000 0.0000000 0.1642002), wk = 0.0028329 k( 152) = ( 0.0000000 0.0000000 0.1759288), wk = 0.0028329 k( 153) = ( 0.0000000 0.0000000 0.1876574), wk = 0.0028329 k( 154) = ( 0.0000000 0.0000000 0.1993860), wk = 0.0028329 k( 155) = ( 0.0000000 0.0000000 0.2111146), wk = 0.0028329 k( 156) = ( 0.0000000 0.0000000 0.2228432), wk = 0.0028329 k( 157) = ( 0.0000000 0.0000000 0.2345717), wk = 0.0028329 k( 158) = ( 0.0000000 0.0000000 0.2463003), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.2580289), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.2697575), wk = 0.0028329 k( 161) = ( 0.0000000 0.0000000 0.2814861), wk = 0.0028329 k( 162) = ( 0.0000000 0.0000000 0.2932147), wk = 0.0028329 k( 163) = ( 0.0000000 0.0000000 0.3049433), wk = 0.0028329 k( 164) = ( 0.0000000 0.0000000 0.3049433), wk = 0.0028329 k( 165) = ( 0.0102041 0.0058913 0.3049433), wk = 0.0028329 k( 166) = ( 0.0204082 0.0117827 0.3049433), wk = 0.0028329 k( 167) = ( 0.0306122 0.0176740 0.3049433), wk = 0.0028329 k( 168) = ( 0.0408163 0.0235653 0.3049433), wk = 0.0028329 k( 169) = ( 0.0510204 0.0294566 0.3049433), wk = 0.0028329 k( 170) = ( 0.0612245 0.0353480 0.3049433), wk = 0.0028329 k( 171) = ( 0.0714286 0.0412393 0.3049433), wk = 0.0028329 k( 172) = ( 0.0816327 0.0471306 0.3049433), wk = 0.0028329 k( 173) = ( 0.0918367 0.0530220 0.3049433), wk = 0.0028329 k( 174) = ( 0.1020408 0.0589133 0.3049433), wk = 0.0028329 k( 175) = ( 0.1122449 0.0648046 0.3049433), wk = 0.0028329 k( 176) = ( 0.1224490 0.0706960 0.3049433), wk = 0.0028329 k( 177) = ( 0.1326531 0.0765873 0.3049433), wk = 0.0028329 k( 178) = ( 0.1428571 0.0824786 0.3049433), wk = 0.0028329 k( 179) = ( 0.1530612 0.0883699 0.3049433), wk = 0.0028329 k( 180) = ( 0.1632653 0.0942613 0.3049433), wk = 0.0028329 k( 181) = ( 0.1734694 0.1001526 0.3049433), wk = 0.0028329 k( 182) = ( 0.1836735 0.1060439 0.3049433), wk = 0.0028329 k( 183) = ( 0.1938776 0.1119353 0.3049433), wk = 0.0028329 k( 184) = ( 0.2040816 0.1178266 0.3049433), wk = 0.0028329 k( 185) = ( 0.2142857 0.1237179 0.3049433), wk = 0.0028329 k( 186) = ( 0.2244898 0.1296092 0.3049433), wk = 0.0028329 k( 187) = ( 0.2346939 0.1355006 0.3049433), wk = 0.0028329 k( 188) = ( 0.2448980 0.1413919 0.3049433), wk = 0.0028329 k( 189) = ( 0.2551020 0.1472832 0.3049433), wk = 0.0028329 k( 190) = ( 0.2653061 0.1531746 0.3049433), wk = 0.0028329 k( 191) = ( 0.2755102 0.1590659 0.3049433), wk = 0.0028329 k( 192) = ( 0.2857143 0.1649572 0.3049433), wk = 0.0028329 k( 193) = ( 0.2959184 0.1708486 0.3049433), wk = 0.0028329 k( 194) = ( 0.3061224 0.1767399 0.3049433), wk = 0.0028329 k( 195) = ( 0.3163265 0.1826312 0.3049433), wk = 0.0028329 k( 196) = ( 0.3265306 0.1885225 0.3049433), wk = 0.0028329 k( 197) = ( 0.3367347 0.1944139 0.3049433), wk = 0.0028329 k( 198) = ( 0.3469388 0.2003052 0.3049433), wk = 0.0028329 k( 199) = ( 0.3571429 0.2061965 0.3049433), wk = 0.0028329 k( 200) = ( 0.3673469 0.2120879 0.3049433), wk = 0.0028329 k( 201) = ( 0.3775510 0.2179792 0.3049433), wk = 0.0028329 k( 202) = ( 0.3877551 0.2238705 0.3049433), wk = 0.0028329 k( 203) = ( 0.3979592 0.2297618 0.3049433), wk = 0.0028329 k( 204) = ( 0.4081633 0.2356532 0.3049433), wk = 0.0028329 k( 205) = ( 0.4183674 0.2415445 0.3049433), wk = 0.0028329 k( 206) = ( 0.4285714 0.2474358 0.3049433), wk = 0.0028329 k( 207) = ( 0.4387755 0.2533272 0.3049433), wk = 0.0028329 k( 208) = ( 0.4489796 0.2592185 0.3049433), wk = 0.0028329 k( 209) = ( 0.4591837 0.2651098 0.3049433), wk = 0.0028329 k( 210) = ( 0.4693878 0.2710011 0.3049433), wk = 0.0028329 k( 211) = ( 0.4795918 0.2768925 0.3049433), wk = 0.0028329 k( 212) = ( 0.4897959 0.2827838 0.3049433), wk = 0.0028329 k( 213) = ( 0.5000000 0.2886751 0.3049433), wk = 0.0028329 k( 214) = ( 0.5000000 0.2886751 0.3049433), wk = 0.0028329 k( 215) = ( 0.4940476 0.2989850 0.3049433), wk = 0.0028329 k( 216) = ( 0.4880952 0.3092948 0.3049433), wk = 0.0028329 k( 217) = ( 0.4821429 0.3196046 0.3049433), wk = 0.0028329 k( 218) = ( 0.4761905 0.3299144 0.3049433), wk = 0.0028329 k( 219) = ( 0.4702381 0.3402243 0.3049433), wk = 0.0028329 k( 220) = ( 0.4642857 0.3505341 0.3049433), wk = 0.0028329 k( 221) = ( 0.4583333 0.3608439 0.3049433), wk = 0.0028329 k( 222) = ( 0.4523810 0.3711537 0.3049433), wk = 0.0028329 k( 223) = ( 0.4464286 0.3814636 0.3049433), wk = 0.0028329 k( 224) = ( 0.4404762 0.3917734 0.3049433), wk = 0.0028329 k( 225) = ( 0.4345238 0.4020832 0.3049433), wk = 0.0028329 k( 226) = ( 0.4285714 0.4123930 0.3049433), wk = 0.0028329 k( 227) = ( 0.4226190 0.4227029 0.3049433), wk = 0.0028329 k( 228) = ( 0.4166667 0.4330127 0.3049433), wk = 0.0028329 k( 229) = ( 0.4107143 0.4433225 0.3049433), wk = 0.0028329 k( 230) = ( 0.4047619 0.4536324 0.3049433), wk = 0.0028329 k( 231) = ( 0.3988095 0.4639422 0.3049433), wk = 0.0028329 k( 232) = ( 0.3928571 0.4742520 0.3049433), wk = 0.0028329 k( 233) = ( 0.3869048 0.4845618 0.3049433), wk = 0.0028329 k( 234) = ( 0.3809524 0.4948717 0.3049433), wk = 0.0028329 k( 235) = ( 0.3750000 0.5051815 0.3049433), wk = 0.0028329 k( 236) = ( 0.3690476 0.5154913 0.3049433), wk = 0.0028329 k( 237) = ( 0.3630952 0.5258011 0.3049433), wk = 0.0028329 k( 238) = ( 0.3571429 0.5361110 0.3049433), wk = 0.0028329 k( 239) = ( 0.3511905 0.5464208 0.3049433), wk = 0.0028329 k( 240) = ( 0.3452381 0.5567306 0.3049433), wk = 0.0028329 k( 241) = ( 0.3392857 0.5670404 0.3049433), wk = 0.0028329 k( 242) = ( 0.3333333 0.5773503 0.3049433), wk = 0.0028329 k( 243) = ( 0.3333333 0.5773503 0.3049433), wk = 0.0028329 k( 244) = ( 0.3273810 0.5670404 0.3049433), wk = 0.0028329 k( 245) = ( 0.3214286 0.5567306 0.3049433), wk = 0.0028329 k( 246) = ( 0.3154762 0.5464208 0.3049433), wk = 0.0028329 k( 247) = ( 0.3095238 0.5361110 0.3049433), wk = 0.0028329 k( 248) = ( 0.3035714 0.5258011 0.3049433), wk = 0.0028329 k( 249) = ( 0.2976190 0.5154913 0.3049433), wk = 0.0028329 k( 250) = ( 0.2916667 0.5051815 0.3049433), wk = 0.0028329 k( 251) = ( 0.2857143 0.4948717 0.3049433), wk = 0.0028329 k( 252) = ( 0.2797619 0.4845618 0.3049433), wk = 0.0028329 k( 253) = ( 0.2738095 0.4742520 0.3049433), wk = 0.0028329 k( 254) = ( 0.2678571 0.4639422 0.3049433), wk = 0.0028329 k( 255) = ( 0.2619048 0.4536324 0.3049433), wk = 0.0028329 k( 256) = ( 0.2559524 0.4433225 0.3049433), wk = 0.0028329 k( 257) = ( 0.2500000 0.4330127 0.3049433), wk = 0.0028329 k( 258) = ( 0.2440476 0.4227029 0.3049433), wk = 0.0028329 k( 259) = ( 0.2380952 0.4123931 0.3049433), wk = 0.0028329 k( 260) = ( 0.2321429 0.4020832 0.3049433), wk = 0.0028329 k( 261) = ( 0.2261905 0.3917734 0.3049433), wk = 0.0028329 k( 262) = ( 0.2202381 0.3814636 0.3049433), wk = 0.0028329 k( 263) = ( 0.2142857 0.3711537 0.3049433), wk = 0.0028329 k( 264) = ( 0.2083333 0.3608439 0.3049433), wk = 0.0028329 k( 265) = ( 0.2023810 0.3505341 0.3049433), wk = 0.0028329 k( 266) = ( 0.1964286 0.3402243 0.3049433), wk = 0.0028329 k( 267) = ( 0.1904762 0.3299144 0.3049433), wk = 0.0028329 k( 268) = ( 0.1845238 0.3196046 0.3049433), wk = 0.0028329 k( 269) = ( 0.1785714 0.3092948 0.3049433), wk = 0.0028329 k( 270) = ( 0.1726190 0.2989850 0.3049433), wk = 0.0028329 k( 271) = ( 0.1666667 0.2886751 0.3049433), wk = 0.0028329 k( 272) = ( 0.1607143 0.2783653 0.3049433), wk = 0.0028329 k( 273) = ( 0.1547619 0.2680555 0.3049433), wk = 0.0028329 k( 274) = ( 0.1488095 0.2577456 0.3049433), wk = 0.0028329 k( 275) = ( 0.1428571 0.2474358 0.3049433), wk = 0.0028329 k( 276) = ( 0.1369048 0.2371260 0.3049433), wk = 0.0028329 k( 277) = ( 0.1309524 0.2268162 0.3049433), wk = 0.0028329 k( 278) = ( 0.1250000 0.2165064 0.3049433), wk = 0.0028329 k( 279) = ( 0.1190476 0.2061965 0.3049433), wk = 0.0028329 k( 280) = ( 0.1130952 0.1958867 0.3049433), wk = 0.0028329 k( 281) = ( 0.1071429 0.1855769 0.3049433), wk = 0.0028329 k( 282) = ( 0.1011905 0.1752671 0.3049433), wk = 0.0028329 k( 283) = ( 0.0952381 0.1649572 0.3049433), wk = 0.0028329 k( 284) = ( 0.0892857 0.1546474 0.3049433), wk = 0.0028329 k( 285) = ( 0.0833333 0.1443376 0.3049433), wk = 0.0028329 k( 286) = ( 0.0773810 0.1340277 0.3049433), wk = 0.0028329 k( 287) = ( 0.0714286 0.1237179 0.3049433), wk = 0.0028329 k( 288) = ( 0.0654762 0.1134081 0.3049433), wk = 0.0028329 k( 289) = ( 0.0595238 0.1030983 0.3049433), wk = 0.0028329 k( 290) = ( 0.0535714 0.0927884 0.3049433), wk = 0.0028329 k( 291) = ( 0.0476191 0.0824786 0.3049433), wk = 0.0028329 k( 292) = ( 0.0416667 0.0721688 0.3049433), wk = 0.0028329 k( 293) = ( 0.0357143 0.0618590 0.3049433), wk = 0.0028329 k( 294) = ( 0.0297619 0.0515491 0.3049433), wk = 0.0028329 k( 295) = ( 0.0238095 0.0412393 0.3049433), wk = 0.0028329 k( 296) = ( 0.0178571 0.0309295 0.3049433), wk = 0.0028329 k( 297) = ( 0.0119048 0.0206196 0.3049433), wk = 0.0028329 k( 298) = ( 0.0059524 0.0103098 0.3049433), wk = 0.0028329 k( 299) = ( 0.0000000 0.0000000 0.3049433), wk = 0.0028329 k( 300) = ( 0.5000000 0.2886751 0.3049433), wk = 0.0028329 k( 301) = ( 0.5000000 0.2886751 0.2932147), wk = 0.0028329 k( 302) = ( 0.5000000 0.2886751 0.2814861), wk = 0.0028329 k( 303) = ( 0.5000000 0.2886751 0.2697575), wk = 0.0028329 k( 304) = ( 0.5000000 0.2886751 0.2580289), wk = 0.0028329 k( 305) = ( 0.5000000 0.2886751 0.2463003), wk = 0.0028329 k( 306) = ( 0.5000000 0.2886751 0.2345717), wk = 0.0028329 k( 307) = ( 0.5000000 0.2886751 0.2228432), wk = 0.0028329 k( 308) = ( 0.5000000 0.2886751 0.2111146), wk = 0.0028329 k( 309) = ( 0.5000000 0.2886751 0.1993860), wk = 0.0028329 k( 310) = ( 0.5000000 0.2886751 0.1876574), wk = 0.0028329 k( 311) = ( 0.5000000 0.2886751 0.1759288), wk = 0.0028329 k( 312) = ( 0.5000000 0.2886751 0.1642002), wk = 0.0028329 k( 313) = ( 0.5000000 0.2886751 0.1524716), wk = 0.0028329 k( 314) = ( 0.5000000 0.2886751 0.1407430), wk = 0.0028329 k( 315) = ( 0.5000000 0.2886751 0.1290145), wk = 0.0028329 k( 316) = ( 0.5000000 0.2886751 0.1172859), wk = 0.0028329 k( 317) = ( 0.5000000 0.2886751 0.1055573), wk = 0.0028329 k( 318) = ( 0.5000000 0.2886751 0.0938287), wk = 0.0028329 k( 319) = ( 0.5000000 0.2886751 0.0821001), wk = 0.0028329 k( 320) = ( 0.5000000 0.2886751 0.0703715), wk = 0.0028329 k( 321) = ( 0.5000000 0.2886751 0.0586429), wk = 0.0028329 k( 322) = ( 0.5000000 0.2886751 0.0469144), wk = 0.0028329 k( 323) = ( 0.5000000 0.2886751 0.0351858), wk = 0.0028329 k( 324) = ( 0.5000000 0.2886751 0.0234572), wk = 0.0028329 k( 325) = ( 0.5000000 0.2886751 0.0117286), wk = 0.0028329 k( 326) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028329 k( 327) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028329 k( 328) = ( 0.3333333 0.5773503 0.0117286), wk = 0.0028329 k( 329) = ( 0.3333333 0.5773503 0.0234572), wk = 0.0028329 k( 330) = ( 0.3333333 0.5773503 0.0351858), wk = 0.0028329 k( 331) = ( 0.3333333 0.5773503 0.0469144), wk = 0.0028329 k( 332) = ( 0.3333333 0.5773503 0.0586429), wk = 0.0028329 k( 333) = ( 0.3333333 0.5773503 0.0703715), wk = 0.0028329 k( 334) = ( 0.3333333 0.5773503 0.0821001), wk = 0.0028329 k( 335) = ( 0.3333333 0.5773503 0.0938287), wk = 0.0028329 k( 336) = ( 0.3333333 0.5773503 0.1055573), wk = 0.0028329 k( 337) = ( 0.3333333 0.5773503 0.1172859), wk = 0.0028329 k( 338) = ( 0.3333333 0.5773503 0.1290145), wk = 0.0028329 k( 339) = ( 0.3333333 0.5773503 0.1407430), wk = 0.0028329 k( 340) = ( 0.3333333 0.5773503 0.1524716), wk = 0.0028329 k( 341) = ( 0.3333333 0.5773503 0.1642002), wk = 0.0028329 k( 342) = ( 0.3333333 0.5773503 0.1759288), wk = 0.0028329 k( 343) = ( 0.3333333 0.5773503 0.1876574), wk = 0.0028329 k( 344) = ( 0.3333333 0.5773503 0.1993860), wk = 0.0028329 k( 345) = ( 0.3333333 0.5773503 0.2111146), wk = 0.0028329 k( 346) = ( 0.3333333 0.5773503 0.2228432), wk = 0.0028329 k( 347) = ( 0.3333333 0.5773503 0.2345717), wk = 0.0028329 k( 348) = ( 0.3333333 0.5773503 0.2463003), wk = 0.0028329 k( 349) = ( 0.3333333 0.5773503 0.2580289), wk = 0.0028329 k( 350) = ( 0.3333333 0.5773503 0.2697575), wk = 0.0028329 k( 351) = ( 0.3333333 0.5773503 0.2814861), wk = 0.0028329 k( 352) = ( 0.3333333 0.5773503 0.2932147), wk = 0.0028329 k( 353) = ( 0.3333333 0.5773503 0.3049433), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0102041 0.0000000 0.0000000), wk = 0.0028329 k( 3) = ( 0.0204082 0.0000000 0.0000000), wk = 0.0028329 k( 4) = ( 0.0306122 0.0000000 0.0000000), wk = 0.0028329 k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0028329 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0028329 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0028329 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0028329 k( 9) = ( 0.0816327 0.0000000 0.0000000), wk = 0.0028329 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0028329 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0028329 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0028329 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0028329 k( 14) = ( 0.1326531 0.0000000 0.0000000), wk = 0.0028329 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0028329 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0028329 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0028329 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0028329 k( 19) = ( 0.1836735 0.0000000 0.0000000), wk = 0.0028329 k( 20) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0028329 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0028329 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0028329 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0028329 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0028329 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0028329 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0028329 k( 27) = ( 0.2653061 0.0000000 0.0000000), wk = 0.0028329 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0028329 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0028329 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0028329 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0028329 k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0028329 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0028329 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0028329 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0028329 k( 36) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0028329 k( 37) = ( 0.3673469 0.0000000 0.0000000), wk = 0.0028329 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0028329 k( 39) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0028329 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0028329 k( 41) = ( 0.4081633 0.0000000 0.0000000), wk = 0.0028329 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0028329 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0028329 k( 44) = ( 0.4387755 0.0000000 0.0000000), wk = 0.0028329 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0028329 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0028329 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0028329 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0028329 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0028329 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028329 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028329 k( 52) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0028329 k( 53) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0028329 k( 54) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0028329 k( 55) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0028329 k( 56) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0028329 k( 57) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0028329 k( 58) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028329 k( 59) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0028329 k( 60) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0028329 k( 61) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0028329 k( 62) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0028329 k( 63) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0028329 k( 64) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0028329 k( 65) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028329 k( 66) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0028329 k( 67) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0028329 k( 68) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0028329 k( 69) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0028329 k( 70) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0028329 k( 71) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0028329 k( 72) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0028329 k( 73) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0028329 k( 74) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0028329 k( 75) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0028329 k( 76) = ( 0.3511905 0.2976191 0.0000000), wk = 0.0028329 k( 77) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0028329 k( 78) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0028329 k( 79) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 80) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 81) = ( 0.3273810 0.3273810 0.0000000), wk = 0.0028329 k( 82) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0028329 k( 83) = ( 0.3154762 0.3154762 0.0000000), wk = 0.0028329 k( 84) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0028329 k( 85) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0028329 k( 86) = ( 0.2976190 0.2976191 0.0000000), wk = 0.0028329 k( 87) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0028329 k( 88) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0028329 k( 89) = ( 0.2797619 0.2797619 0.0000000), wk = 0.0028329 k( 90) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0028329 k( 91) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0028329 k( 92) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0028329 k( 93) = ( 0.2559524 0.2559524 0.0000000), wk = 0.0028329 k( 94) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028329 k( 95) = ( 0.2440476 0.2440476 0.0000000), wk = 0.0028329 k( 96) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0028329 k( 97) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0028329 k( 98) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0028329 k( 99) = ( 0.2202381 0.2202381 0.0000000), wk = 0.0028329 k( 100) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0028329 k( 101) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0028329 k( 102) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0028329 k( 103) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0028329 k( 104) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0028329 k( 105) = ( 0.1845238 0.1845238 0.0000000), wk = 0.0028329 k( 106) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0028329 k( 107) = ( 0.1726190 0.1726190 0.0000000), wk = 0.0028329 k( 108) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028329 k( 109) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0028329 k( 110) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0028329 k( 111) = ( 0.1488095 0.1488095 0.0000000), wk = 0.0028329 k( 112) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0028329 k( 113) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0028329 k( 114) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0028329 k( 115) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028329 k( 116) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0028329 k( 117) = ( 0.1130952 0.1130952 0.0000000), wk = 0.0028329 k( 118) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0028329 k( 119) = ( 0.1011905 0.1011905 0.0000000), wk = 0.0028329 k( 120) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0028329 k( 121) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0028329 k( 122) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0028329 k( 123) = ( 0.0773810 0.0773810 0.0000000), wk = 0.0028329 k( 124) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0028329 k( 125) = ( 0.0654762 0.0654762 0.0000000), wk = 0.0028329 k( 126) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0028329 k( 127) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0028329 k( 128) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0028329 k( 129) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0028329 k( 130) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028329 k( 131) = ( 0.0297619 0.0297619 0.0000000), wk = 0.0028329 k( 132) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0028329 k( 133) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0028329 k( 134) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0028329 k( 135) = ( 0.0059524 0.0059524 0.0000000), wk = 0.0028329 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 138) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0028329 k( 139) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0028329 k( 140) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0028329 k( 141) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0028329 k( 142) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0028329 k( 143) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0028329 k( 144) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0028329 k( 145) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0028329 k( 146) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0028329 k( 147) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0028329 k( 148) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0028329 k( 149) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0028329 k( 150) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028329 k( 151) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0028329 k( 152) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0028329 k( 153) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0028329 k( 154) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0028329 k( 155) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0028329 k( 156) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0028329 k( 157) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0028329 k( 158) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0028329 k( 161) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0028329 k( 162) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0028329 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 165) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0028329 k( 166) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0028329 k( 167) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0028329 k( 168) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0028329 k( 169) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0028329 k( 170) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0028329 k( 171) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0028329 k( 172) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0028329 k( 173) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0028329 k( 174) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0028329 k( 175) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0028329 k( 176) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0028329 k( 177) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0028329 k( 178) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0028329 k( 179) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0028329 k( 180) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0028329 k( 181) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0028329 k( 182) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0028329 k( 183) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0028329 k( 184) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0028329 k( 185) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0028329 k( 186) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0028329 k( 187) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0028329 k( 188) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0028329 k( 189) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0028329 k( 190) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0028329 k( 191) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0028329 k( 192) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028329 k( 193) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0028329 k( 194) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0028329 k( 195) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0028329 k( 196) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0028329 k( 197) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0028329 k( 198) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0028329 k( 199) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0028329 k( 200) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0028329 k( 201) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0028329 k( 202) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0028329 k( 203) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0028329 k( 204) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0028329 k( 205) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0028329 k( 206) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028329 k( 207) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0028329 k( 208) = ( 0.4489796 0.0000000 0.5000000), wk = 0.0028329 k( 209) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0028329 k( 210) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0028329 k( 211) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0028329 k( 212) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0028329 k( 213) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 k( 214) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 k( 215) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028329 k( 216) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028329 k( 217) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028329 k( 218) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0028329 k( 219) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028329 k( 220) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028329 k( 221) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028329 k( 222) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028329 k( 223) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028329 k( 224) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028329 k( 225) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028329 k( 226) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028329 k( 227) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028329 k( 228) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028329 k( 229) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028329 k( 230) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028329 k( 231) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0028329 k( 232) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028329 k( 233) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028329 k( 234) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028329 k( 235) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028329 k( 236) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028329 k( 237) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028329 k( 238) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028329 k( 239) = ( 0.3511905 0.2976191 0.5000000), wk = 0.0028329 k( 240) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028329 k( 241) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028329 k( 242) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 k( 243) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 k( 244) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0028329 k( 245) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028329 k( 246) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0028329 k( 247) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0028329 k( 248) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028329 k( 249) = ( 0.2976190 0.2976191 0.5000000), wk = 0.0028329 k( 250) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028329 k( 251) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028329 k( 252) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0028329 k( 253) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0028329 k( 254) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028329 k( 255) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0028329 k( 256) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0028329 k( 257) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028329 k( 258) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0028329 k( 259) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0028329 k( 260) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028329 k( 261) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0028329 k( 262) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0028329 k( 263) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028329 k( 264) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028329 k( 265) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0028329 k( 266) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028329 k( 267) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0028329 k( 268) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0028329 k( 269) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028329 k( 270) = ( 0.1726190 0.1726190 0.5000000), wk = 0.0028329 k( 271) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028329 k( 272) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028329 k( 273) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0028329 k( 274) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0028329 k( 275) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028329 k( 276) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0028329 k( 277) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0028329 k( 278) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028329 k( 279) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0028329 k( 280) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0028329 k( 281) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028329 k( 282) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0028329 k( 283) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0028329 k( 284) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028329 k( 285) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028329 k( 286) = ( 0.0773810 0.0773810 0.5000000), wk = 0.0028329 k( 287) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028329 k( 288) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0028329 k( 289) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0028329 k( 290) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028329 k( 291) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0028329 k( 292) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028329 k( 293) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028329 k( 294) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0028329 k( 295) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0028329 k( 296) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028329 k( 297) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0028329 k( 298) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0028329 k( 299) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 300) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 k( 301) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0028329 k( 302) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0028329 k( 303) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0028329 k( 304) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0028329 k( 305) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0028329 k( 306) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0028329 k( 307) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0028329 k( 308) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0028329 k( 309) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0028329 k( 310) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0028329 k( 311) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0028329 k( 312) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0028329 k( 313) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028329 k( 314) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0028329 k( 315) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0028329 k( 316) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0028329 k( 317) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0028329 k( 318) = ( 0.5000000 0.0000000 0.1538462), wk = 0.0028329 k( 319) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0028329 k( 320) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0028329 k( 321) = ( 0.5000000 0.0000000 0.0961539), wk = 0.0028329 k( 322) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0028329 k( 323) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0028329 k( 324) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0028329 k( 325) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0028329 k( 326) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028329 k( 327) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028329 k( 328) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0028329 k( 329) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0028329 k( 330) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0028329 k( 331) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0028329 k( 332) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0028329 k( 333) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0028329 k( 334) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0028329 k( 335) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0028329 k( 336) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0028329 k( 337) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0028329 k( 338) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0028329 k( 339) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0028329 k( 340) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028329 k( 341) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0028329 k( 342) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0028329 k( 343) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0028329 k( 344) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0028329 k( 345) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0028329 k( 346) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0028329 k( 347) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0028329 k( 348) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0028329 k( 349) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0028329 k( 350) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0028329 k( 351) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0028329 k( 352) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0028329 k( 353) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028329 Dense grid: 32127 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 20041 G-vectors FFT dimensions: ( 32, 32, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 128, 44) NL pseudopotentials 0.09 Mb ( 64, 96) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 672) G-vector shells 0.00 Mb ( 318) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 128, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./GaP.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.2 secs Computing kpt #: 2 total cpu time spent up to now is 46.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.2 secs Computing kpt #: 4 total cpu time spent up to now is 48.1 secs Computing kpt #: 5 total cpu time spent up to now is 48.9 secs Computing kpt #: 6 total cpu time spent up to now is 49.8 secs Computing kpt #: 7 total cpu time spent up to now is 50.7 secs Computing kpt #: 8 total cpu time spent up to now is 51.7 secs Computing kpt #: 9 total cpu time spent up to now is 52.8 secs Computing kpt #: 10 total cpu time spent up to now is 53.9 secs Computing kpt #: 11 total cpu time spent up to now is 57.0 secs Computing kpt #: 12 total cpu time spent up to now is 58.2 secs Computing kpt #: 13 total cpu time spent up to now is 59.5 secs Computing kpt #: 14 total cpu time spent up to now is 60.3 secs Computing kpt #: 15 total cpu time spent up to now is 61.2 secs Computing kpt #: 16 total cpu time spent up to now is 62.3 secs Computing kpt #: 17 total cpu time spent up to now is 63.9 secs Computing kpt #: 18 total cpu time spent up to now is 65.4 secs Computing kpt #: 19 total cpu time spent up to now is 66.8 secs Computing kpt #: 20 total cpu time spent up to now is 67.9 secs Computing kpt #: 21 total cpu time spent up to now is 69.3 secs Computing kpt #: 22 total cpu time spent up to now is 71.0 secs Computing kpt #: 23 total cpu time spent up to now is 72.1 secs Computing kpt #: 24 total cpu time spent up to now is 73.4 secs Computing kpt #: 25 total cpu time spent up to now is 74.6 secs Computing kpt #: 26 total cpu time spent up to now is 76.1 secs Computing kpt #: 27 total cpu time spent up to now is 77.0 secs Computing kpt #: 28 total cpu time spent up to now is 77.9 secs Computing kpt #: 29 total cpu time spent up to now is 78.8 secs Computing kpt #: 30 total cpu time spent up to now is 79.8 secs Computing kpt #: 31 total cpu time spent up to now is 80.8 secs Computing kpt #: 32 total cpu time spent up to now is 81.8 secs Computing kpt #: 33 total cpu time spent up to now is 83.3 secs Computing kpt #: 34 total cpu time spent up to now is 84.2 secs Computing kpt #: 35 total cpu time spent up to now is 85.9 secs Computing kpt #: 36 total cpu time spent up to now is 87.1 secs Computing kpt #: 37 total cpu time spent up to now is 88.3 secs Computing kpt #: 38 total cpu time spent up to now is 89.4 secs Computing kpt #: 39 total cpu time spent up to now is 90.4 secs Computing kpt #: 40 total cpu time spent up to now is 91.5 secs Computing kpt #: 41 total cpu time spent up to now is 92.6 secs Computing kpt #: 42 total cpu time spent up to now is 93.8 secs Computing kpt #: 43 total cpu time spent up to now is 94.8 secs Computing kpt #: 44 total cpu time spent up to now is 95.8 secs Computing kpt #: 45 total cpu time spent up to now is 97.8 secs Computing kpt #: 46 total cpu time spent up to now is 99.1 secs Computing kpt #: 47 total cpu time spent up to now is 101.2 secs Computing kpt #: 48 total cpu time spent up to now is 102.5 secs Computing kpt #: 49 total cpu time spent up to now is 104.6 secs Computing kpt #: 50 total cpu time spent up to now is 106.1 secs Computing kpt #: 51 total cpu time spent up to now is 107.7 secs Computing kpt #: 52 total cpu time spent up to now is 109.5 secs Computing kpt #: 53 total cpu time spent up to now is 111.0 secs Computing kpt #: 54 total cpu time spent up to now is 113.0 secs Computing kpt #: 55 total cpu time spent up to now is 115.0 secs Computing kpt #: 56 total cpu time spent up to now is 116.6 secs Computing kpt #: 57 total cpu time spent up to now is 118.4 secs Computing kpt #: 58 total cpu time spent up to now is 119.4 secs Computing kpt #: 59 total cpu time spent up 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Computing kpt #: 75 total cpu time spent up to now is 141.2 secs Computing kpt #: 76 total cpu time spent up to now is 142.2 secs Computing kpt #: 77 total cpu time spent up to now is 143.3 secs Computing kpt #: 78 total cpu time spent up to now is 144.8 secs Computing kpt #: 79 total cpu time spent up to now is 146.3 secs Computing kpt #: 80 total cpu time spent up to now is 147.8 secs Computing kpt #: 81 total cpu time spent up to now is 149.2 secs Computing kpt #: 82 total cpu time spent up to now is 150.4 secs Computing kpt #: 83 total cpu time spent up to now is 151.6 secs Computing kpt #: 84 total cpu time spent up to now is 153.5 secs Computing kpt #: 85 total cpu time spent up to now is 156.4 secs Computing kpt #: 86 total cpu time spent up to now is 158.8 secs Computing kpt #: 87 total cpu time spent up to now is 161.4 secs Computing kpt #: 88 total cpu time spent up to now is 162.4 secs Computing kpt #: 89 total cpu time spent up to now is 164.1 secs Computing kpt #: 90 total cpu time spent up to now is 165.5 secs Computing kpt #: 91 total cpu time spent up to now is 166.5 secs Computing kpt #: 92 total cpu time spent up to now is 167.5 secs Computing kpt #: 93 total cpu time spent up to now is 168.4 secs Computing kpt #: 94 total cpu time spent up to now is 169.3 secs Computing kpt #: 95 total cpu time spent up to now is 170.2 secs Computing kpt #: 96 total cpu time spent up to now is 171.2 secs Computing kpt #: 97 total cpu time spent up to now is 172.1 secs Computing kpt #: 98 total cpu time spent up to now is 173.0 secs Computing kpt #: 99 total cpu time spent up to now is 174.8 secs Computing kpt #: 100 total cpu time spent up to now is 176.1 secs Computing kpt #: 101 total cpu time spent up to now is 177.8 secs Computing kpt #: 102 total cpu time spent up to now is 179.4 secs Computing kpt #: 103 total cpu time spent up to now is 180.3 secs Computing kpt #: 104 total cpu time spent up to now is 181.2 secs Computing kpt #: 105 total cpu time spent up 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Computing kpt #: 136 total cpu time spent up to now is 213.4 secs Computing kpt #: 137 total cpu time spent up to now is 214.2 secs Computing kpt #: 138 total cpu time spent up to now is 215.1 secs Computing kpt #: 139 total cpu time spent up to now is 216.0 secs Computing kpt #: 140 total cpu time spent up to now is 216.9 secs Computing kpt #: 141 total cpu time spent up to now is 217.9 secs Computing kpt #: 142 total cpu time spent up to now is 219.1 secs Computing kpt #: 143 total cpu time spent up to now is 220.1 secs Computing kpt #: 144 total cpu time spent up to now is 221.0 secs Computing kpt #: 145 total cpu time spent up to now is 221.9 secs Computing kpt #: 146 total cpu time spent up to now is 222.7 secs Computing kpt #: 147 total cpu time spent up to now is 223.6 secs Computing kpt #: 148 total cpu time spent up to now is 224.6 secs Computing kpt #: 149 total cpu time spent up to now is 225.5 secs Computing kpt #: 150 total cpu time spent up to now is 226.4 secs Computing kpt #: 151 total cpu time spent up to now is 227.5 secs Computing kpt #: 152 total cpu time spent up to now is 228.7 secs Computing kpt #: 153 total cpu time spent up to now is 229.9 secs Computing kpt #: 154 total cpu time spent up to now is 230.8 secs Computing kpt #: 155 total cpu time spent up to now is 231.9 secs Computing kpt #: 156 total cpu time spent up to now is 233.2 secs Computing kpt #: 157 total cpu time spent up to now is 234.5 secs Computing kpt #: 158 total cpu time spent up to now is 235.4 secs Computing kpt #: 159 total cpu time spent up to now is 236.3 secs Computing kpt #: 160 total cpu time spent up to now is 237.8 secs Computing kpt #: 161 total cpu time spent up to now is 239.0 secs Computing kpt #: 162 total cpu time spent up to now is 240.6 secs Computing kpt #: 163 total cpu time spent up to now is 241.6 secs Computing kpt #: 164 total cpu time spent up to now is 242.5 secs Computing kpt #: 165 total cpu time spent up to now is 243.5 secs Computing kpt #: 166 total cpu time spent up to now is 244.5 secs Computing kpt #: 167 total cpu time spent up to now is 245.5 secs Computing kpt #: 168 total cpu time spent up to now is 246.5 secs Computing kpt #: 169 total cpu time spent up to now is 247.5 secs Computing kpt #: 170 total cpu time spent up to now is 248.8 secs Computing kpt #: 171 total cpu time spent up to now is 250.5 secs Computing kpt #: 172 total cpu time spent up to now is 251.6 secs Computing kpt #: 173 total cpu time spent up to now is 253.3 secs Computing kpt #: 174 total cpu time spent up to now is 254.5 secs Computing kpt #: 175 total cpu time spent up to now is 255.4 secs Computing kpt #: 176 total cpu time spent up to now is 256.3 secs Computing kpt #: 177 total cpu time spent up to now is 257.1 secs Computing kpt #: 178 total cpu time spent up to now is 258.0 secs Computing kpt #: 179 total cpu time spent up to now is 258.9 secs Computing kpt #: 180 total cpu time spent up to now is 260.5 secs Computing kpt #: 181 total cpu 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up to now is 278.0 secs Computing kpt #: 197 total cpu time spent up to now is 279.4 secs Computing kpt #: 198 total cpu time spent up to now is 280.3 secs Computing kpt #: 199 total cpu time spent up to now is 281.1 secs Computing kpt #: 200 total cpu time spent up to now is 281.8 secs Computing kpt #: 201 total cpu time spent up to now is 282.5 secs Computing kpt #: 202 total cpu time spent up to now is 283.2 secs Computing kpt #: 203 total cpu time spent up to now is 283.9 secs Computing kpt #: 204 total cpu time spent up to now is 285.0 secs Computing kpt #: 205 total cpu time spent up to now is 285.7 secs Computing kpt #: 206 total cpu time spent up to now is 286.6 secs Computing kpt #: 207 total cpu time spent up to now is 287.6 secs Computing kpt #: 208 total cpu time spent up to now is 288.5 secs Computing kpt #: 209 total cpu time spent up to now is 289.3 secs Computing kpt #: 210 total cpu time spent up to now is 290.3 secs Computing kpt #: 211 total cpu time spent up to now is 291.0 secs Computing kpt #: 212 total cpu time spent up to now is 291.7 secs Computing kpt #: 213 total cpu time spent up to now is 292.4 secs Computing kpt #: 214 total cpu time spent up to now is 293.0 secs Computing kpt #: 215 total cpu time spent up to now is 293.7 secs Computing kpt #: 216 total cpu time spent up to now is 294.5 secs Computing kpt #: 217 total cpu time spent up to now is 295.5 secs Computing kpt #: 218 total cpu time spent up to now is 296.6 secs Computing kpt #: 219 total cpu time spent up to now is 297.3 secs Computing kpt #: 220 total cpu time spent up to now is 298.1 secs Computing kpt #: 221 total cpu time spent up to now is 298.8 secs Computing kpt #: 222 total cpu time spent up to now is 299.5 secs Computing kpt #: 223 total cpu time spent up to now is 300.3 secs Computing kpt #: 224 total cpu time spent up to now is 301.0 secs Computing kpt #: 225 total cpu time spent up to now is 301.8 secs Computing kpt #: 226 total cpu time spent up to now is 302.5 secs Computing kpt #: 227 total cpu time spent up to now is 303.3 secs Computing kpt #: 228 total cpu time spent up to now is 304.0 secs Computing kpt #: 229 total cpu time spent up to now is 304.8 secs Computing kpt #: 230 total cpu time spent up to now is 305.6 secs Computing kpt #: 231 total cpu time spent up to now is 306.6 secs Computing kpt #: 232 total cpu time spent up to now is 307.5 secs Computing kpt #: 233 total cpu time spent up to now is 308.7 secs Computing kpt #: 234 total cpu time spent up to now is 310.0 secs Computing kpt #: 235 total cpu time spent up to now is 311.8 secs Computing kpt #: 236 total cpu time spent up to now is 313.8 secs Computing kpt #: 237 total cpu time spent up to now is 314.8 secs Computing kpt #: 238 total cpu time spent up to now is 315.7 secs Computing kpt #: 239 total cpu time spent up to now is 316.6 secs Computing kpt #: 240 total cpu time spent up to now is 317.6 secs Computing kpt #: 241 total cpu time spent up to now is 318.5 secs Computing kpt #: 242 total cpu time spent up to now is 319.4 secs Computing kpt #: 243 total cpu time spent up to now is 320.3 secs Computing kpt #: 244 total cpu time spent up to now is 321.3 secs Computing kpt #: 245 total cpu time spent up to now is 322.2 secs Computing kpt #: 246 total cpu time spent up to now is 323.8 secs Computing kpt #: 247 total cpu time spent up to now is 324.9 secs Computing kpt #: 248 total cpu time spent up to now is 326.1 secs Computing kpt #: 249 total cpu time spent up to now is 327.3 secs Computing kpt #: 250 total cpu time spent up to now is 329.0 secs Computing kpt #: 251 total cpu time spent up to now is 330.8 secs Computing kpt #: 252 total cpu time spent up to now is 332.0 secs Computing kpt #: 253 total cpu time spent up to now is 332.9 secs Computing kpt #: 254 total cpu time spent up to now is 333.8 secs Computing kpt #: 255 total cpu time spent up to now is 334.8 secs Computing kpt #: 256 total cpu time spent up to now is 335.7 secs Computing kpt #: 257 total cpu time spent up to now is 337.0 secs Computing kpt #: 258 total cpu time spent up to now is 338.2 secs Computing kpt #: 259 total cpu time spent up to now is 339.3 secs Computing kpt #: 260 total cpu time spent up to now is 340.5 secs Computing kpt #: 261 total cpu time spent up to now is 342.3 secs Computing kpt #: 262 total cpu time spent up to now is 344.1 secs Computing kpt #: 263 total cpu time spent up to now is 346.7 secs Computing kpt #: 264 total cpu time spent up to now is 347.6 secs Computing kpt #: 265 total cpu time spent up to now is 348.5 secs Computing kpt #: 266 total cpu time spent up to now is 349.6 secs Computing kpt #: 267 total cpu time spent up to now is 350.7 secs Computing kpt #: 268 total cpu time spent up to now is 351.9 secs Computing kpt #: 269 total cpu time spent up to now is 352.8 secs Computing kpt #: 270 total cpu time spent up to now is 353.7 secs Computing kpt #: 271 total cpu time spent up to now is 354.8 secs Computing kpt #: 272 total cpu time spent up to now is 356.1 secs Computing kpt #: 273 total cpu time spent up to now is 358.1 secs Computing kpt #: 274 total cpu time spent up to now is 359.2 secs Computing kpt #: 275 total cpu time spent up to now is 360.1 secs Computing kpt #: 276 total cpu time spent up to now is 361.0 secs Computing kpt #: 277 total cpu time spent up to now is 361.8 secs Computing kpt #: 278 total cpu time spent up to now is 363.2 secs Computing kpt #: 279 total cpu time spent up to now is 364.5 secs Computing kpt #: 280 total cpu time spent up to now is 366.2 secs Computing kpt #: 281 total cpu time spent up to now is 368.2 secs Computing kpt #: 282 total cpu time spent up to now is 369.4 secs Computing kpt #: 283 total cpu time spent up to now is 371.1 secs Computing kpt #: 284 total cpu time spent up to now is 372.4 secs Computing kpt #: 285 total cpu time spent up to now is 373.3 secs Computing kpt #: 286 total cpu time spent up to now is 374.1 secs Computing kpt #: 287 total cpu time spent up to now is 375.0 secs Computing kpt #: 288 total cpu time spent up to now is 375.8 secs Computing kpt #: 289 total cpu time spent up to now is 376.7 secs Computing kpt #: 290 total cpu time spent up to now is 377.6 secs Computing kpt #: 291 total cpu time spent up to now is 378.4 secs Computing kpt #: 292 total cpu time spent up to now is 379.7 secs Computing kpt #: 293 total cpu time spent up to now is 380.8 secs Computing kpt #: 294 total cpu time spent up to now is 381.9 secs Computing kpt #: 295 total cpu time spent up to now is 383.0 secs Computing kpt #: 296 total cpu time spent up to now is 384.2 secs Computing kpt #: 297 total cpu time spent up to now is 385.7 secs Computing kpt #: 298 total cpu time spent up to now is 387.6 secs Computing kpt #: 299 total cpu time spent up to now is 389.4 secs Computing kpt #: 300 total cpu time spent up to now is 390.4 secs Computing kpt #: 301 total cpu time spent up to now is 391.1 secs Computing kpt #: 302 total cpu time spent up to now is 391.8 secs Computing kpt #: 303 total cpu time spent up to now is 392.5 secs Computing kpt #: 304 total cpu time spent up to now is 393.2 secs Computing kpt #: 305 total cpu time spent up to now is 393.9 secs Computing kpt #: 306 total cpu time spent up to now is 394.6 secs Computing kpt #: 307 total cpu time spent up to now is 395.3 secs Computing kpt #: 308 total cpu time spent up to now is 396.6 secs Computing kpt #: 309 total cpu time spent up to now is 397.6 secs Computing kpt #: 310 total cpu time spent up to now is 398.8 secs Computing kpt #: 311 total cpu time spent up to now is 400.1 secs Computing kpt #: 312 total cpu time spent up to now is 401.5 secs Computing kpt #: 313 total cpu time spent up to now is 402.5 secs Computing kpt #: 314 total cpu time spent up to now is 403.6 secs Computing kpt #: 315 total cpu time spent up to now is 404.7 secs Computing kpt #: 316 total cpu time spent up to now is 406.2 secs Computing kpt #: 317 total cpu time spent up to now is 407.3 secs Computing kpt #: 318 total cpu time spent up to now is 408.2 secs Computing kpt #: 319 total cpu time spent up to now is 409.1 secs Computing kpt #: 320 total cpu time spent up to now is 409.9 secs Computing kpt #: 321 total cpu time spent up to now is 410.6 secs Computing kpt #: 322 total cpu time spent up to now is 412.1 secs Computing kpt #: 323 total cpu time spent up to now is 412.9 secs Computing kpt #: 324 total cpu time spent up to now is 413.7 secs Computing kpt #: 325 total cpu time spent up to now is 415.3 secs Computing kpt #: 326 total cpu time spent up to now is 416.2 secs Computing kpt #: 327 total cpu time spent up to now is 417.7 secs Computing kpt #: 328 total cpu time spent up to now is 419.7 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 422.1 secs Computing kpt #: 330 total cpu time spent up to now is 423.7 secs Computing kpt #: 331 total cpu time spent up to now is 425.9 secs Computing kpt #: 332 total cpu time spent up to now is 428.0 secs Computing kpt #: 333 total cpu time spent up to now is 429.2 secs Computing kpt #: 334 total cpu time spent up to now is 430.9 secs Computing kpt #: 335 total cpu time spent up to now is 432.5 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 435.1 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 438.2 secs Computing kpt #: 338 total cpu time spent up to now is 442.0 secs Computing kpt #: 339 total cpu time spent up to now is 444.8 secs Computing kpt #: 340 total cpu time spent up to now is 447.2 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.2 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.6 secs Computing kpt #: 343 total cpu time spent up to now is 454.1 secs Computing kpt #: 344 total cpu time spent up to now is 455.5 secs Computing kpt #: 345 total cpu time spent up to now is 456.8 secs Computing kpt #: 346 total cpu time spent up to now is 457.9 secs Computing kpt #: 347 total cpu time spent up to now is 459.1 secs Computing kpt #: 348 total cpu time spent up to now is 460.4 secs Computing kpt #: 349 total cpu time spent up to now is 461.7 secs Computing kpt #: 350 total cpu time spent up to now is 463.1 secs Computing kpt #: 351 total cpu time spent up to now is 464.4 secs Computing kpt #: 352 total cpu time spent up to now is 465.3 secs Computing kpt #: 353 total cpu time spent up to now is 466.2 secs ethr = 2.78E-11, avg # of iterations = 24.9 total cpu time spent up to now is 466.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2539 PWs) bands (ev): -6.9299 -6.9299 -6.8917 -6.8917 -6.8896 -6.8896 -6.8807 -6.8807 -6.4904 -6.4904 -6.4756 -6.4756 -6.4227 -6.4227 -6.4080 -6.4080 -6.4017 -6.4017 -6.3652 -6.3652 -5.0632 -5.0632 -2.7407 -2.7407 0.9223 0.9223 6.6631 6.6631 6.7351 6.7351 7.9030 7.9030 8.0657 8.0657 8.1103 8.1103 9.5669 9.5669 10.5101 10.5101 11.6031 11.6031 11.7290 11.7290 k = 0.0102 0.0059-0.0000 ( 2539 PWs) bands (ev): -6.9319 -6.9280 -6.8917 -6.8917 -6.8898 -6.8893 -6.8806 -6.8806 -6.4935 -6.4873 -6.4758 -6.4754 -6.4234 -6.4219 -6.4080 -6.4079 -6.4017 -6.4017 -6.3652 -6.3652 -5.0618 -5.0618 -2.7398 -2.7394 0.9229 0.9233 6.6540 6.6565 6.7276 6.7278 7.8994 7.9022 8.0566 8.0610 8.1039 8.1041 9.5772 9.5790 10.5180 10.5182 11.6018 11.6059 11.7293 11.7294 k = 0.0204 0.0118-0.0000 ( 2539 PWs) bands (ev): -6.9339 -6.9261 -6.8917 -6.8917 -6.8900 -6.8891 -6.8805 -6.8805 -6.4966 -6.4842 -6.4761 -6.4753 -6.4241 -6.4211 -6.4080 -6.4078 -6.4018 -6.4017 -6.3653 -6.3653 -5.0578 -5.0577 -2.7368 -2.7360 0.9252 0.9260 6.6259 6.6313 6.7090 6.7099 7.8903 7.8977 8.0280 8.0388 8.0905 8.0915 9.6093 9.6127 10.5412 10.5416 11.6011 11.6097 11.7307 11.7315 k = 0.0306 0.0177-0.0000 ( 2539 PWs) bands (ev): -6.9359 -6.9244 -6.8918 -6.8918 -6.8902 -6.8888 -6.8804 -6.8802 -6.4997 -6.4812 -6.4765 -6.4752 -6.4248 -6.4202 -6.4080 -6.4078 -6.4019 -6.4018 -6.3654 -6.3654 -5.0510 -5.0510 -2.7316 -2.7305 0.9292 0.9303 6.5738 6.5819 6.6867 6.6882 7.8727 7.8893 7.9751 7.9964 8.0776 8.0786 9.6611 9.6659 10.5779 10.5783 11.5993 11.6135 11.7351 11.7373 k = 0.0408 0.0236-0.0000 ( 2539 PWs) bands (ev): -6.9380 -6.9228 -6.8918 -6.8918 -6.8904 -6.8885 -6.8802 -6.8798 -6.5028 -6.4782 -6.4769 -6.4752 -6.4254 -6.4194 -6.4080 -6.4077 -6.4020 -6.4019 -6.3655 -6.3655 -5.0416 -5.0415 -2.7243 -2.7228 0.9348 0.9363 6.4987 6.5087 6.6632 6.6649 7.8371 7.8758 7.9023 7.9464 8.0644 8.0650 9.7296 9.7353 10.6253 10.6254 11.5952 11.6155 11.7450 11.7492 k = 0.0510 0.0295-0.0000 ( 2539 PWs) bands (ev): -6.9401 -6.9214 -6.8920 -6.8919 -6.8907 -6.8882 -6.8799 -6.8793 -6.5058 -6.4776 -6.4753 -6.4751 -6.4260 -6.4186 -6.4079 -6.4076 -6.4022 -6.4020 -6.3657 -6.3657 -5.0295 -5.0293 -2.7149 -2.7131 0.9420 0.9438 6.4046 6.4161 6.6373 6.6390 7.7701 7.8058 7.8648 7.9068 8.0492 8.0494 9.8108 9.8172 10.6797 10.6803 11.5888 11.6149 11.7626 11.7685 k = 0.0612 0.0353-0.0000 ( 2541 PWs) bands (ev): -6.9422 -6.9201 -6.8921 -6.8920 -6.8910 -6.8878 -6.8796 -6.8785 -6.5088 -6.4782 -6.4754 -6.4722 -6.4265 -6.4178 -6.4079 -6.4075 -6.4025 -6.4020 -6.3660 -6.3659 -5.0147 -5.0145 -2.7033 -2.7012 0.9507 0.9529 6.2957 6.3084 6.6081 6.6097 7.6745 7.6994 7.8459 7.8779 8.0312 8.0314 9.9005 9.9072 10.7384 10.7400 11.5819 11.6132 11.7884 11.7953 k = 0.0714 0.0412-0.0000 ( 2537 PWs) bands (ev): -6.9442 -6.9190 -6.8923 -6.8921 -6.8913 -6.8874 -6.8792 -6.8776 -6.5118 -6.4788 -6.4755 -6.4693 -6.4270 -6.4170 -6.4077 -6.4074 -6.4027 -6.4020 -6.3663 -6.3662 -4.9973 -4.9970 -2.6897 -2.6872 0.9610 0.9635 6.1752 6.1889 6.5753 6.5768 7.5609 7.5808 7.8241 7.8519 8.0102 8.0107 9.9941 10.0007 10.7990 10.8018 11.5774 11.6131 11.8215 11.8289 k = 0.0816 0.0471-0.0000 ( 2529 PWs) bands (ev): -6.9462 -6.9180 -6.8925 -6.8925 -6.8915 -6.8870 -6.8788 -6.8764 -6.5146 -6.4796 -6.4755 -6.4665 -6.4275 -6.4162 -6.4075 -6.4073 -6.4030 -6.4019 -6.3666 -6.3664 -4.9773 -4.9769 -2.6740 -2.6712 0.9727 0.9756 6.0457 6.0602 6.5390 6.5405 7.4353 7.4525 7.7991 7.8252 7.9865 7.9873 10.0867 10.0929 10.8597 10.8638 11.5788 11.6181 11.8611 11.8685 k = 0.0918 0.0530-0.0000 ( 2523 PWs) bands (ev): -6.9482 -6.9172 -6.8930 -6.8927 -6.8916 -6.8866 -6.8784 -6.8751 -6.5175 -6.4804 -6.4756 -6.4637 -6.4278 -6.4155 -6.4074 -6.4072 -6.4033 -6.4017 -6.3670 -6.3666 -4.9547 -4.9542 -2.6562 -2.6532 0.9857 0.9890 5.9093 5.9246 6.4996 6.5010 7.3009 7.3165 7.7707 7.7962 7.9601 7.9611 10.1733 10.1787 10.9198 10.9250 11.5898 11.6316 11.9060 11.9131 k = 0.1020 0.0589-0.0000 ( 2525 PWs) bands (ev): -6.9501 -6.9166 -6.8937 -6.8930 -6.8917 -6.8862 -6.8779 -6.8736 -6.5202 -6.4813 -6.4758 -6.4610 -6.4282 -6.4148 -6.4072 -6.4071 -6.4036 -6.4015 -6.3673 -6.3669 -4.9295 -4.9289 -2.6364 -2.6332 1.0001 1.0037 5.7678 5.7837 6.4573 6.4586 7.1597 7.1743 7.7390 7.7645 7.9311 7.9322 10.2487 10.2531 10.9795 10.9850 11.6140 11.6568 11.9552 11.9619 k = 0.1122 0.0648-0.0000 ( 2521 PWs) bands (ev): -6.9520 -6.9161 -6.8946 -6.8933 -6.8916 -6.8857 -6.8774 -6.8720 -6.5229 -6.4823 -6.4758 -6.4584 -6.4284 -6.4142 -6.4070 -6.4070 -6.4039 -6.4012 -6.3677 -6.3672 -4.9018 -4.9011 -2.6146 -2.6112 1.0156 1.0196 5.6228 5.6392 6.4124 6.4138 7.0133 7.0271 7.7039 7.7298 7.8997 7.9009 10.3087 10.3118 11.0390 11.0437 11.6543 11.6964 12.0080 12.0142 k = 0.1224 0.0707-0.0000 ( 2529 PWs) bands (ev): -6.9538 -6.9158 -6.8955 -6.8937 -6.8916 -6.8853 -6.8768 -6.8703 -6.5255 -6.4833 -6.4760 -6.4559 -6.4286 -6.4138 -6.4069 -6.4069 -6.4042 -6.4008 -6.3682 -6.3675 -4.8716 -4.8707 -2.5908 -2.5872 1.0322 1.0366 5.4753 5.4922 6.3655 6.3668 6.8628 6.8761 7.6654 7.6918 7.8660 7.8674 10.3507 10.3523 11.0985 11.1011 11.7122 11.7520 12.0635 12.0692 k = 0.1327 0.0766-0.0000 ( 2533 PWs) bands (ev): -6.9556 -6.9157 -6.8965 -6.8942 -6.8916 -6.8849 -6.8762 -6.8685 -6.5280 -6.4844 -6.4760 -6.4536 -6.4288 -6.4135 -6.4068 -6.4067 -6.4044 -6.4003 -6.3687 -6.3678 -4.8389 -4.8379 -2.5651 -2.5614 1.0498 1.0545 5.3265 5.3438 6.3167 6.3180 6.7090 6.7220 7.6235 7.6505 7.8304 7.8318 10.3745 10.3745 11.1565 11.1568 11.7879 11.8241 12.1211 12.1261 k = 0.1429 0.0825-0.0000 ( 2537 PWs) bands (ev): -6.9573 -6.9157 -6.8975 -6.8946 -6.8915 -6.8845 -6.8756 -6.8667 -6.5304 -6.4856 -6.4761 -6.4513 -6.4289 -6.4133 -6.4068 -6.4065 -6.4044 -6.3998 -6.3691 -6.3680 -4.8038 -4.8026 -2.5376 -2.5338 1.0681 1.0731 5.1773 5.1950 6.2665 6.2677 6.5529 6.5655 7.5782 7.6059 7.7929 7.7945 10.3801 10.3817 11.2089 11.2124 11.8795 11.9118 12.1797 12.1841 k = 0.1531 0.0884-0.0000 ( 2545 PWs) bands (ev): -6.9589 -6.9158 -6.8986 -6.8952 -6.8914 -6.8840 -6.8750 -6.8649 -6.5327 -6.4867 -6.4761 -6.4492 -6.4290 -6.4133 -6.4069 -6.4062 -6.4043 -6.3991 -6.3697 -6.3683 -4.7663 -4.7648 -2.5082 -2.5044 1.0869 1.0923 5.0284 5.0465 6.2151 6.2163 6.3950 6.4073 7.5296 7.5580 7.7540 7.7555 10.3722 10.3754 11.2576 11.2639 11.9841 12.0126 12.2385 12.2424 k = 0.1633 0.0943-0.0000 ( 2549 PWs) bands (ev): -6.9605 -6.9161 -6.8997 -6.8957 -6.8912 -6.8836 -6.8743 -6.8631 -6.5348 -6.4880 -6.4760 -6.4473 -6.4290 -6.4133 -6.4070 -6.4059 -6.4040 -6.3985 -6.3702 -6.3685 -4.7264 -4.7248 -2.4771 -2.4733 1.1062 1.1119 4.8807 4.8991 6.1630 6.1638 6.2360 6.2477 7.4778 7.5068 7.7137 7.7153 10.3538 10.3585 11.3019 11.3104 12.0978 12.1230 12.2968 12.2999 k = 0.1735 0.1002-0.0000 ( 2549 PWs) bands (ev): -6.9620 -6.9165 -6.9008 -6.8963 -6.8911 -6.8831 -6.8735 -6.8613 -6.5368 -6.4892 -6.4759 -6.4455 -6.4289 -6.4135 -6.4071 -6.4055 -6.4036 -6.3978 -6.3707 -6.3687 -4.6842 -4.6823 -2.4444 -2.4406 1.1255 1.1316 4.7349 4.7536 6.0744 6.0874 6.1103 6.1126 7.4227 7.4523 7.6723 7.6741 10.3277 10.3339 11.3416 11.3516 12.2159 12.2382 12.3535 12.3559 k = 0.1837 0.1060-0.0000 ( 2545 PWs) bands (ev): -6.9634 -6.9171 -6.9018 -6.8968 -6.8909 -6.8827 -6.8728 -6.8594 -6.5386 -6.4904 -6.4757 -6.4438 -6.4287 -6.4137 -6.4073 -6.4051 -6.4031 -6.3970 -6.3711 -6.3688 -4.6397 -4.6376 -2.4101 -2.4063 1.1447 1.1511 4.5916 4.6106 5.9145 5.9265 6.0573 6.0589 7.3645 7.3947 7.6302 7.6320 10.2963 10.3037 11.3768 11.3875 12.3327 12.3512 12.4079 12.4096 k = 0.1939 0.1119-0.0000 ( 2541 PWs) bands (ev): -6.9648 -6.9179 -6.9029 -6.8974 -6.8907 -6.8823 -6.8720 -6.8577 -6.5403 -6.4917 -6.4755 -6.4424 -6.4285 -6.4139 -6.4073 -6.4046 -6.4025 -6.3963 -6.3716 -6.3688 -4.5929 -4.5907 -2.3743 -2.3706 1.1633 1.1700 4.4516 4.4709 5.7538 5.7655 6.0043 6.0058 7.3033 7.3339 7.5874 7.5893 10.2612 10.2696 11.4072 11.4183 12.4334 12.4412 12.4645 12.4651 k = 0.2041 0.1178-0.0000 ( 2541 PWs) bands (ev): -6.9660 -6.9188 -6.9038 -6.8981 -6.8904 -6.8819 -6.8713 -6.8561 -6.5419 -6.4930 -6.4752 -6.4412 -6.4282 -6.4142 -6.4073 -6.4042 -6.4018 -6.3955 -6.3720 -6.3689 -4.5440 -4.5415 -2.3371 -2.3336 1.1811 1.1881 4.3155 4.3351 5.5933 5.6047 5.9515 5.9530 7.2392 7.2701 7.5443 7.5463 10.2236 10.2330 11.4329 11.4439 12.4751 12.4773 12.5204 12.5301 k = 0.2143 0.1237-0.0000 ( 2547 PWs) bands (ev): -6.9673 -6.9200 -6.9047 -6.8987 -6.8902 -6.8815 -6.8705 -6.8545 -6.5433 -6.4944 -6.4748 -6.4403 -6.4279 -6.4145 -6.4073 -6.4038 -6.4011 -6.3948 -6.3725 -6.3688 -4.4929 -4.4902 -2.2987 -2.2954 1.1975 1.2048 4.1841 4.2039 5.4331 5.4442 5.8991 5.9005 7.1723 7.2036 7.5011 7.5031 10.1846 10.1948 11.4536 11.4643 12.4740 12.4814 12.5621 12.5688 k = 0.2245 0.1296-0.0000 ( 2551 PWs) bands (ev): -6.9684 -6.9212 -6.9055 -6.8994 -6.8899 -6.8812 -6.8697 -6.8531 -6.5445 -6.4957 -6.4744 -6.4395 -6.4275 -6.4149 -6.4072 -6.4033 -6.4004 -6.3941 -6.3729 -6.3688 -4.4397 -4.4368 -2.2592 -2.2561 1.2122 1.2198 4.0581 4.0782 5.2737 5.2844 5.8472 5.8487 7.1029 7.1343 7.4579 7.4600 10.1449 10.1556 11.4693 11.4796 12.4591 12.4689 12.6005 12.6042 k = 0.2347 0.1355-0.0000 ( 2547 PWs) bands (ev): -6.9694 -6.9226 -6.9062 -6.9000 -6.8896 -6.8808 -6.8689 -6.8517 -6.5456 -6.4970 -6.4739 -6.4390 -6.4271 -6.4153 -6.4069 -6.4029 -6.3995 -6.3934 -6.3733 -6.3686 -4.3845 -4.3814 -2.2189 -2.2159 1.2245 1.2325 3.9383 3.9588 5.1152 5.1256 5.7962 5.7976 7.0310 7.0626 7.4150 7.4172 10.1050 10.1162 11.4798 11.4897 12.4400 12.4516 12.6350 12.6370 k = 0.2449 0.1414-0.0000 ( 2547 PWs) bands (ev): -6.9704 -6.9242 -6.9069 -6.9007 -6.8894 -6.8805 -6.8681 -6.8504 -6.5464 -6.4984 -6.4734 -6.4387 -6.4266 -6.4156 -6.4067 -6.4025 -6.3986 -6.3928 -6.3737 -6.3684 -4.3273 -4.3240 -2.1777 -2.1751 1.2340 1.2422 3.8256 3.8463 4.9578 4.9679 5.7460 5.7475 6.9570 6.9887 7.3726 7.3748 10.0653 10.0768 11.4852 11.4946 12.4192 12.4324 12.6650 12.6656 k = 0.2551 0.1473-0.0000 ( 2547 PWs) bands (ev): -6.9713 -6.9259 -6.9075 -6.9014 -6.8891 -6.8801 -6.8674 -6.8493 -6.5472 -6.4997 -6.4728 -6.4385 -6.4261 -6.4160 -6.4063 -6.4021 -6.3977 -6.3922 -6.3740 -6.3681 -4.2683 -4.2648 -2.1361 -2.1337 1.2401 1.2486 3.7207 3.7417 4.8019 4.8115 5.6969 5.6983 6.8810 6.9126 7.3307 7.3329 10.0261 10.0377 11.4856 11.4945 12.3972 12.4119 12.6897 12.6903 k = 0.2653 0.1532-0.0000 ( 2539 PWs) bands (ev): -6.9721 -6.9277 -6.9080 -6.9021 -6.8887 -6.8798 -6.8665 -6.8482 -6.5477 -6.5010 -6.4721 -6.4385 -6.4256 -6.4163 -6.4059 -6.4016 -6.3968 -6.3917 -6.3742 -6.3678 -4.2073 -4.2037 -2.0942 -2.0922 1.2423 1.2510 3.6244 3.6457 4.6476 4.6567 5.6490 5.6504 6.8033 6.8348 7.2896 7.2919 9.9875 9.9992 11.4813 11.4899 12.3741 12.3899 12.7095 12.7110 k = 0.2755 0.1591-0.0000 ( 2533 PWs) bands (ev): -6.9729 -6.9295 -6.9085 -6.9028 -6.8884 -6.8795 -6.8657 -6.8473 -6.5481 -6.5023 -6.4714 -6.4386 -6.4251 -6.4166 -6.4054 -6.4012 -6.3958 -6.3912 -6.3743 -6.3673 -4.1447 -4.1409 -2.0524 -2.0506 1.2400 1.2490 3.5375 3.5591 4.4953 4.5038 5.6025 5.6038 6.7240 6.7554 7.2494 7.2516 9.9498 9.9614 11.4730 11.4811 12.3494 12.3660 12.7252 12.7273 k = 0.2857 0.1650-0.0000 ( 2533 PWs) bands (ev): -6.9735 -6.9314 -6.9089 -6.9034 -6.8880 -6.8793 -6.8649 -6.8465 -6.5484 -6.5037 -6.4707 -6.4388 -6.4246 -6.4169 -6.4049 -6.4008 -6.3949 -6.3908 -6.3744 -6.3669 -4.0804 -4.0764 -2.0109 -2.0094 1.2329 1.2421 3.4605 3.4825 4.3452 4.3530 5.5573 5.5587 6.6435 6.6746 7.2102 7.2125 9.9130 9.9245 11.4609 11.4686 12.3232 12.3401 12.7371 12.7396 k = 0.2959 0.1708-0.0000 ( 2521 PWs) bands (ev): -6.9741 -6.9334 -6.9093 -6.9041 -6.8876 -6.8790 -6.8641 -6.8458 -6.5485 -6.5050 -6.4698 -6.4391 -6.4241 -6.4172 -6.4043 -6.4004 -6.3941 -6.3903 -6.3744 -6.3664 -4.0146 -4.0105 -1.9700 -1.9689 1.2208 1.2302 3.3937 3.4161 4.1976 4.2047 5.5137 5.5151 6.5620 6.5928 7.1722 7.1744 9.8773 9.8886 11.4458 11.4531 12.2955 12.3122 12.7457 12.7482 k = 0.3061 0.1767-0.0000 ( 2523 PWs) bands (ev): -6.9746 -6.9354 -6.9098 -6.9048 -6.8873 -6.8789 -6.8633 -6.8453 -6.5484 -6.5063 -6.4690 -6.4395 -6.4237 -6.4176 -6.4038 -6.4001 -6.3933 -6.3900 -6.3742 -6.3659 -3.9474 -3.9431 -1.9303 -1.9295 1.2038 1.2134 3.3373 3.3602 4.0531 4.0593 5.4717 5.4730 6.4799 6.5102 7.1354 7.1376 9.8428 9.8538 11.4282 11.4352 12.2663 12.2824 12.7512 12.7536 k = 0.3163 0.1826-0.0000 ( 2523 PWs) bands (ev): -6.9750 -6.9374 -6.9101 -6.9055 -6.8869 -6.8787 -6.8625 -6.8448 -6.5483 -6.5076 -6.4681 -6.4399 -6.4233 -6.4179 -6.4032 -6.3998 -6.3926 -6.3897 -6.3740 -6.3654 -3.8789 -3.8745 -1.8920 -1.8916 1.1821 1.1919 3.2908 3.3143 3.9122 3.9173 5.4314 5.4327 6.3973 6.4272 7.1000 7.1022 9.8094 9.8201 11.4089 11.4155 12.2362 12.2515 12.7541 12.7562 k = 0.3265 0.1885-0.0000 ( 2525 PWs) bands (ev): -6.9754 -6.9395 -6.9105 -6.9061 -6.8865 -6.8786 -6.8618 -6.8445 -6.5480 -6.5089 -6.4673 -6.4404 -6.4230 -6.4182 -6.4025 -6.3994 -6.3920 -6.3895 -6.3737 -6.3649 -3.8093 -3.8048 -1.8558 -1.8557 1.1565 1.1664 3.2530 3.2775 3.7761 3.7798 5.3930 5.3942 6.3146 6.3439 7.0661 7.0681 9.7773 9.7876 11.3882 11.3945 12.2056 12.2198 12.7546 12.7565 k = 0.3367 0.1944-0.0000 ( 2525 PWs) bands (ev): -6.9756 -6.9415 -6.9109 -6.9068 -6.8862 -6.8785 -6.8610 -6.8443 -6.5476 -6.5102 -6.4664 -6.4410 -6.4227 -6.4184 -6.4019 -6.3991 -6.3915 -6.3893 -6.3732 -6.3643 -3.7387 -3.7342 -1.8223 -1.8221 1.1278 1.1377 3.2219 3.2475 3.6467 3.6487 5.3563 5.3575 6.2321 6.2608 7.0336 7.0356 9.7466 9.7564 11.3668 11.3727 12.1750 12.1881 12.7532 12.7547 k = 0.3469 0.2003-0.0000 ( 2529 PWs) bands (ev): -6.9758 -6.9435 -6.9112 -6.9074 -6.8858 -6.8784 -6.8602 -6.8441 -6.5470 -6.5116 -6.4655 -6.4415 -6.4224 -6.4187 -6.4012 -6.3988 -6.3912 -6.3891 -6.3727 -6.3638 -3.6674 -3.6628 -1.7918 -1.7914 1.0971 1.1070 3.1928 3.2198 3.5281 3.5282 5.3216 5.3228 6.1502 6.1782 7.0028 7.0048 9.7173 9.7266 11.3451 11.3507 12.1449 12.1568 12.7501 12.7514 k = 0.3571 0.2062-0.0000 ( 2521 PWs) bands (ev): -6.9759 -6.9455 -6.9115 -6.9080 -6.8854 -6.8784 -6.8594 -6.8441 -6.5464 -6.5128 -6.4645 -6.4421 -6.4221 -6.4189 -6.4005 -6.3985 -6.3909 -6.3890 -6.3720 -6.3633 -3.5956 -3.5910 -1.7650 -1.7643 1.0656 1.0755 3.1560 3.1838 3.4279 3.4295 5.2889 5.2900 6.0694 6.0965 6.9737 6.9756 9.6895 9.6983 11.3236 11.3288 12.1157 12.1266 12.7457 12.7467 k = 0.3673 0.2121-0.0000 ( 2517 PWs) bands (ev): -6.9759 -6.9475 -6.9118 -6.9086 -6.8850 -6.8784 -6.8586 -6.8441 -6.5457 -6.5141 -6.4636 -6.4427 -6.4219 -6.4192 -6.3998 -6.3981 -6.3907 -6.3889 -6.3712 -6.3628 -3.5237 -3.5191 -1.7421 -1.7413 1.0348 1.0445 3.0974 3.1225 3.3643 3.3644 5.2582 5.2593 5.9899 6.0161 6.9463 6.9481 9.6632 9.6715 11.3024 11.3073 12.0878 12.0975 12.7403 12.7412 k = 0.3776 0.2180-0.0000 ( 2513 PWs) bands (ev): -6.9758 -6.9494 -6.9120 -6.9092 -6.8846 -6.8784 -6.8579 -6.8442 -6.5448 -6.5154 -6.4627 -6.4433 -6.4217 -6.4194 -6.3990 -6.3977 -6.3906 -6.3888 -6.3705 -6.3624 -3.4518 -3.4473 -1.7238 -1.7229 1.0058 1.0153 3.0127 3.0328 3.3357 3.3400 5.2296 5.2307 5.9122 5.9375 6.9208 6.9224 9.6386 9.6463 11.2821 11.2866 12.0612 12.0699 12.7342 12.7350 k = 0.3878 0.2239-0.0000 ( 2513 PWs) bands (ev): -6.9757 -6.9513 -6.9123 -6.9097 -6.8842 -6.8784 -6.8571 -6.8444 -6.5439 -6.5167 -6.4617 -6.4440 -6.4216 -6.4196 -6.3983 -6.3974 -6.3906 -6.3888 -6.3696 -6.3620 -3.3805 -3.3760 -1.7104 -1.7094 0.9799 0.9890 2.9136 2.9295 3.3318 3.3392 5.2031 5.2041 5.8369 5.8610 6.8971 6.8986 9.6156 9.6227 11.2626 11.2667 12.0364 12.0442 12.7277 12.7284 k = 0.3980 0.2298-0.0000 ( 2513 PWs) bands (ev): -6.9754 -6.9532 -6.9125 -6.9102 -6.8839 -6.8785 -6.8564 -6.8446 -6.5430 -6.5180 -6.4608 -6.4447 -6.4215 -6.4198 -6.3976 -6.3971 -6.3907 -6.3888 -6.3688 -6.3617 -3.3102 -3.3059 -1.7020 -1.7011 0.9579 0.9666 2.8103 2.8234 3.3414 3.3505 5.1788 5.1798 5.7645 5.7873 6.8753 6.8767 9.5944 9.6009 11.2443 11.2480 12.0135 12.0204 12.7211 12.7216 k = 0.4082 0.2357-0.0000 ( 2509 PWs) bands (ev): -6.9751 -6.9550 -6.9127 -6.9107 -6.8835 -6.8786 -6.8556 -6.8449 -6.5419 -6.5193 -6.4599 -6.4453 -6.4214 -6.4199 -6.3969 -6.3968 -6.3908 -6.3888 -6.3679 -6.3614 -3.2415 -3.2373 -1.6988 -1.6979 0.9407 0.9488 2.7083 2.7193 3.3586 3.3685 5.1567 5.1577 5.6956 5.7169 6.8555 6.8568 9.5750 9.5809 11.2273 11.2306 11.9927 11.9987 12.7145 12.7150 k = 0.4184 0.2415-0.0000 ( 2511 PWs) bands (ev): -6.9747 -6.9567 -6.9129 -6.9111 -6.8831 -6.8787 -6.8549 -6.8453 -6.5409 -6.5206 -6.4589 -6.4460 -6.4213 -6.4201 -6.3965 -6.3963 -6.3909 -6.3889 -6.3671 -6.3612 -3.1751 -3.1711 -1.7005 -1.6997 0.9285 0.9359 2.6105 2.6198 3.3803 3.3903 5.1369 5.1377 5.6309 5.6506 6.8377 6.8389 9.5575 9.5627 11.2118 11.2148 11.9739 11.9792 12.7082 12.7085 k = 0.4286 0.2474-0.0000 ( 2515 PWs) bands (ev): -6.9742 -6.9584 -6.9131 -6.9115 -6.8828 -6.8788 -6.8542 -6.8457 -6.5398 -6.5219 -6.4580 -6.4468 -6.4212 -6.4202 -6.3961 -6.3956 -6.3911 -6.3890 -6.3663 -6.3611 -3.1119 -3.1081 -1.7067 -1.7060 0.9213 0.9279 2.5187 2.5266 3.4041 3.4139 5.1193 5.1201 5.5710 5.5890 6.8219 6.8229 9.5420 9.5466 11.1979 11.2005 11.9573 11.9618 12.7022 12.7025 k = 0.4388 0.2533-0.0000 ( 2513 PWs) bands (ev): -6.9736 -6.9600 -6.9132 -6.9119 -6.8824 -6.8790 -6.8535 -6.8461 -6.5386 -6.5232 -6.4571 -6.4475 -6.4211 -6.4204 -6.3958 -6.3950 -6.3913 -6.3892 -6.3656 -6.3611 -3.0527 -3.0493 -1.7164 -1.7159 0.9187 0.9245 2.4344 2.4411 3.4285 3.4377 5.1040 5.1047 5.5169 5.5329 6.8082 6.8091 9.5284 9.5324 11.1857 11.1879 11.9429 11.9467 12.6968 12.6970 k = 0.4490 0.2592-0.0000 ( 2511 PWs) bands (ev): -6.9729 -6.9616 -6.9133 -6.9122 -6.8821 -6.8792 -6.8527 -6.8466 -6.5374 -6.5245 -6.4563 -6.4482 -6.4211 -6.4205 -6.3954 -6.3945 -6.3914 -6.3894 -6.3649 -6.3610 -2.9988 -2.9958 -1.7286 -1.7282 0.9200 0.9249 2.3592 2.3647 3.4522 3.4603 5.0910 5.0917 5.4694 5.4831 6.7965 6.7973 9.5170 9.5203 11.1753 11.1771 11.9308 11.9339 12.6920 12.6922 k = 0.4592 0.2651-0.0000 ( 2515 PWs) bands (ev): -6.9721 -6.9631 -6.9134 -6.9125 -6.8817 -6.8794 -6.8521 -6.8471 -6.5362 -6.5258 -6.4554 -6.4489 -6.4210 -6.4206 -6.3951 -6.3941 -6.3916 -6.3897 -6.3642 -6.3611 -2.9516 -2.9490 -1.7419 -1.7417 0.9240 0.9280 2.2947 2.2990 3.4737 3.4806 5.0804 5.0809 5.4293 5.4405 6.7870 6.7876 9.5076 9.5102 11.1667 11.1682 11.9209 11.9233 12.6880 12.6881 k = 0.4694 0.2710-0.0000 ( 2513 PWs) bands (ev): -6.9713 -6.9645 -6.9134 -6.9128 -6.8814 -6.8796 -6.8514 -6.8476 -6.5349 -6.5272 -6.4545 -6.4497 -6.4210 -6.4206 -6.3948 -6.3938 -6.3916 -6.3899 -6.3635 -6.3612 -2.9125 -2.9105 -1.7547 -1.7546 0.9294 0.9324 2.2423 2.2455 3.4920 3.4974 5.0721 5.0725 5.3974 5.4060 6.7796 6.7800 9.5003 9.5023 11.1600 11.1611 11.9132 11.9151 12.6848 12.6849 k = 0.4796 0.2769-0.0000 ( 2517 PWs) bands (ev): -6.9704 -6.9658 -6.9134 -6.9130 -6.8811 -6.8799 -6.8507 -6.8482 -6.5336 -6.5285 -6.4537 -6.4505 -6.4210 -6.4207 -6.3945 -6.3937 -6.3915 -6.3903 -6.3630 -6.3614 -2.8831 -2.8817 -1.7655 -1.7654 0.9348 0.9368 2.2036 2.2058 3.5061 3.5099 5.0662 5.0665 5.3744 5.3803 6.7743 6.7746 9.4952 9.4965 11.1553 11.1560 11.9078 11.9090 12.6824 12.6825 k = 0.4898 0.2828-0.0000 ( 2515 PWs) bands (ev): -6.9694 -6.9671 -6.9133 -6.9131 -6.8808 -6.8802 -6.8500 -6.8488 -6.5324 -6.5298 -6.4529 -6.4513 -6.4209 -6.4208 -6.3942 -6.3938 -6.3912 -6.3906 -6.3625 -6.3617 -2.8646 -2.8639 -1.7726 -1.7726 0.9389 0.9399 2.1800 2.1811 3.5154 3.5173 5.0626 5.0628 5.3610 5.3640 6.7711 6.7713 9.4923 9.4929 11.1525 11.1528 11.9047 11.9053 12.6810 12.6810 k = 0.5000 0.2887-0.0000 ( 2514 PWs) bands (ev): -6.9683 -6.9683 -6.9133 -6.9133 -6.8805 -6.8805 -6.8494 -6.8494 -6.5311 -6.5311 -6.4521 -6.4521 -6.4209 -6.4209 -6.3940 -6.3940 -6.3909 -6.3909 -6.3620 -6.3620 -2.8581 -2.8581 -1.7751 -1.7751 0.9407 0.9407 2.1724 2.1724 3.5191 3.5191 5.0615 5.0615 5.3575 5.3575 6.7701 6.7701 9.4915 9.4915 11.1516 11.1516 11.9039 11.9039 12.6805 12.6805 k = 0.5000 0.2887-0.0000 ( 2514 PWs) bands (ev): -6.9683 -6.9683 -6.9133 -6.9133 -6.8805 -6.8805 -6.8494 -6.8494 -6.5311 -6.5311 -6.4521 -6.4521 -6.4209 -6.4209 -6.3940 -6.3940 -6.3909 -6.3909 -6.3620 -6.3620 -2.8581 -2.8581 -1.7751 -1.7751 0.9407 0.9407 2.1724 2.1724 3.5191 3.5191 5.0615 5.0615 5.3575 5.3575 6.7701 6.7701 9.4915 9.4915 11.1516 11.1516 11.9039 11.9039 12.6805 12.6805 k = 0.4940 0.2990-0.0000 ( 2516 PWs) bands (ev): -6.9686 -6.9680 -6.9161 -6.9104 -6.8806 -6.8802 -6.8495 -6.8494 -6.5353 -6.5269 -6.4536 -6.4504 -6.4211 -6.4206 -6.3945 -6.3935 -6.3911 -6.3907 -6.3626 -6.3616 -2.8570 -2.8569 -1.7749 -1.7749 0.9417 0.9418 2.1724 2.1726 3.5195 3.5199 5.0527 5.0554 5.3567 5.3572 6.7614 6.7625 9.5026 9.5042 11.1619 11.1629 11.8881 11.8893 12.6900 12.6947 k = 0.4881 0.3093-0.0000 ( 2512 PWs) bands (ev): -6.9688 -6.9678 -6.9188 -6.9074 -6.8807 -6.8799 -6.8495 -6.8493 -6.5395 -6.5228 -6.4553 -6.4489 -6.4213 -6.4204 -6.3950 -6.3930 -6.3913 -6.3905 -6.3632 -6.3611 -2.8536 -2.8534 -1.7744 -1.7742 0.9449 0.9450 2.1727 2.1730 3.5210 3.5218 5.0292 5.0346 5.3547 5.3559 6.7367 6.7388 9.5370 9.5402 11.1933 11.1954 11.8446 11.8472 12.7208 12.7299 k = 0.4821 0.3196-0.0000 ( 2508 PWs) bands (ev): -6.9691 -6.9676 -6.9214 -6.9044 -6.8808 -6.8795 -6.8495 -6.8492 -6.5437 -6.5188 -6.4569 -6.4474 -6.4215 -6.4201 -6.3955 -6.3924 -6.3914 -6.3903 -6.3639 -6.3608 -2.8480 -2.8477 -1.7734 -1.7733 0.9503 0.9505 2.1732 2.1737 3.5234 3.5246 4.9921 5.0000 5.3517 5.3535 6.6969 6.6998 9.5941 9.5987 11.2450 11.2481 11.7797 11.7837 12.7671 12.7803 k = 0.4762 0.3299-0.0000 ( 2508 PWs) bands (ev): -6.9693 -6.9674 -6.9240 -6.9014 -6.8808 -6.8791 -6.8496 -6.8492 -6.5479 -6.5148 -6.4585 -6.4459 -6.4217 -6.4199 -6.3960 -6.3919 -6.3915 -6.3901 -6.3646 -6.3605 -2.8401 -2.8396 -1.7722 -1.7719 0.9577 0.9580 2.1738 2.1745 3.5267 3.5284 4.9427 4.9531 5.3476 5.3499 6.6431 6.6469 9.6726 9.6784 11.3156 11.3197 11.7001 11.7054 12.8229 12.8397 k = 0.4702 0.3402-0.0000 ( 2504 PWs) bands (ev): -6.9696 -6.9672 -6.9264 -6.8983 -6.8807 -6.8786 -6.8496 -6.8491 -6.5521 -6.5109 -6.4601 -6.4445 -6.4219 -6.4197 -6.3965 -6.3917 -6.3914 -6.3899 -6.3654 -6.3603 -2.8299 -2.8293 -1.7707 -1.7704 0.9674 0.9677 2.1745 2.1753 3.5305 3.5327 4.8829 4.8956 5.3422 5.3452 6.5772 6.5816 9.7708 9.7776 11.4030 11.4081 11.6110 11.6173 12.8841 12.9041 k = 0.4643 0.3505-0.0000 ( 2504 PWs) bands (ev): -6.9699 -6.9670 -6.9288 -6.8953 -6.8805 -6.8781 -6.8497 -6.8490 -6.5563 -6.5071 -6.4616 -6.4432 -6.4221 -6.4194 -6.3970 -6.3918 -6.3909 -6.3897 -6.3662 -6.3601 -2.8174 -2.8168 -1.7690 -1.7687 0.9791 0.9796 2.1752 2.1761 3.5346 3.5374 4.8149 4.8299 5.3357 5.3392 6.5008 6.5058 9.8870 9.8947 11.4959 11.5070 11.5251 11.5272 12.9484 12.9710 k = 0.4583 0.3608-0.0000 ( 2504 PWs) bands (ev): -6.9701 -6.9669 -6.9311 -6.8922 -6.8803 -6.8776 -6.8497 -6.8489 -6.5605 -6.5034 -6.4632 -6.4420 -6.4223 -6.4193 -6.3975 -6.3919 -6.3904 -6.3895 -6.3670 -6.3600 -2.8027 -2.8020 -1.7673 -1.7669 0.9930 0.9935 2.1756 2.1767 3.5384 3.5418 4.7409 4.7580 5.3277 5.3319 6.4158 6.4213 10.0194 10.0278 11.4140 11.4236 11.6232 11.6283 13.0146 13.0393 k = 0.4524 0.3712-0.0000 ( 2508 PWs) bands (ev): -6.9704 -6.9668 -6.9334 -6.8892 -6.8800 -6.8771 -6.8498 -6.8488 -6.5646 -6.4998 -6.4647 -6.4409 -6.4224 -6.4191 -6.3979 -6.3920 -6.3898 -6.3893 -6.3678 -6.3600 -2.7858 -2.7850 -1.7656 -1.7651 1.0090 1.0095 2.1758 2.1770 3.5413 3.5455 4.6635 4.6826 5.3184 5.3231 6.3241 6.3298 10.1663 10.1751 11.3136 11.3235 11.7485 11.7543 13.0827 13.1089 k = 0.4464 0.3815-0.0000 ( 2502 PWs) bands (ev): -6.9706 -6.9667 -6.9355 -6.8864 -6.8794 -6.8765 -6.8498 -6.8486 -6.5687 -6.4962 -6.4661 -6.4399 -6.4226 -6.4189 -6.3983 -6.3920 -6.3894 -6.3890 -6.3687 -6.3601 -2.7668 -2.7658 -1.7641 -1.7636 1.0270 1.0277 2.1754 2.1767 3.5423 3.5474 4.5852 4.6063 5.3075 5.3128 6.2273 6.2333 10.3259 10.3350 11.2125 11.2229 11.8818 11.8883 13.1533 13.1804 k = 0.4405 0.3918-0.0000 ( 2500 PWs) bands (ev): -6.9707 -6.9667 -6.9376 -6.8838 -6.8786 -6.8760 -6.8498 -6.8485 -6.5726 -6.4928 -6.4674 -6.4391 -6.4227 -6.4188 -6.3987 -6.3921 -6.3892 -6.3885 -6.3695 -6.3602 -2.7455 -2.7445 -1.7630 -1.7624 1.0471 1.0478 2.1743 2.1757 3.5405 3.5464 4.5086 4.5316 5.2949 5.3009 6.1272 6.1332 10.4968 10.5059 11.1123 11.1228 12.0202 12.0272 13.2273 13.2546 k = 0.4345 0.4021-0.0000 ( 2498 PWs) bands (ev): -6.9709 -6.9666 -6.9395 -6.8819 -6.8771 -6.8754 -6.8498 -6.8483 -6.5765 -6.4895 -6.4687 -6.4384 -6.4228 -6.4187 -6.3990 -6.3921 -6.3890 -6.3880 -6.3704 -6.3604 -2.7222 -2.7211 -1.7624 -1.7618 1.0692 1.0700 2.1722 2.1737 3.5344 3.5412 4.4368 4.4614 5.2804 5.2870 6.0252 6.0312 10.6773 10.6863 11.0138 11.0244 12.1607 12.1684 13.3066 13.3334 k = 0.4286 0.4124-0.0000 ( 2500 PWs) bands (ev): -6.9710 -6.9666 -6.9414 -6.8808 -6.8750 -6.8749 -6.8498 -6.8481 -6.5802 -6.4863 -6.4699 -6.4379 -6.4228 -6.4186 -6.3992 -6.3921 -6.3889 -6.3874 -6.3712 -6.3607 -2.6967 -2.6955 -1.7625 -1.7619 1.0934 1.0943 2.1689 2.1705 3.5226 3.5300 4.3725 4.3986 5.2640 5.2712 5.9228 5.9286 10.8661 10.8746 10.9180 10.9284 12.3001 12.3086 13.3929 13.4185 k = 0.4226 0.4227-0.0000 ( 2494 PWs) bands (ev): -6.9711 -6.9666 -6.9433 -6.8800 -6.8744 -6.8725 -6.8498 -6.8479 -6.5838 -6.4832 -6.4710 -6.4376 -6.4228 -6.4186 -6.3994 -6.3922 -6.3888 -6.3868 -6.3719 -6.3610 -2.6692 -2.6680 -1.7636 -1.7630 1.1195 1.1205 2.1640 2.1657 3.5035 3.5113 4.3186 4.3458 5.2455 5.2533 5.8211 5.8266 10.8250 10.8355 11.0622 11.0704 12.4353 12.4449 13.4884 13.5120 k = 0.4167 0.4330-0.0000 ( 2492 PWs) bands (ev): -6.9711 -6.9666 -6.9450 -6.8794 -6.8740 -6.8699 -6.8498 -6.8476 -6.5873 -6.4802 -6.4720 -6.4374 -6.4227 -6.4186 -6.3995 -6.3922 -6.3888 -6.3863 -6.3726 -6.3614 -2.6398 -2.6384 -1.7659 -1.7652 1.1475 1.1486 2.1573 2.1590 3.4761 3.4839 4.2773 4.3051 5.2247 5.2331 5.7213 5.7264 10.7362 10.7463 11.2641 11.2715 12.5633 12.5743 13.5949 13.6158 k = 0.4107 0.4433-0.0000 ( 2496 PWs) bands (ev): -6.9711 -6.9666 -6.9467 -6.8789 -6.8736 -6.8674 -6.8497 -6.8474 -6.5906 -6.4774 -6.4730 -6.4375 -6.4227 -6.4187 -6.3995 -6.3922 -6.3888 -6.3858 -6.3732 -6.3618 -2.6084 -2.6070 -1.7696 -1.7690 1.1775 1.1787 2.1484 2.1502 3.4404 3.4477 4.2497 4.2774 5.2015 5.2104 5.6245 5.6292 10.6517 10.6614 11.4708 11.4771 12.6815 12.6942 13.7135 13.7309 k = 0.4048 0.4536-0.0000 ( 2496 PWs) bands (ev): -6.9711 -6.9665 -6.9484 -6.8784 -6.8732 -6.8650 -6.8496 -6.8471 -6.5937 -6.4749 -6.4736 -6.4377 -6.4225 -6.4188 -6.3994 -6.3922 -6.3888 -6.3854 -6.3736 -6.3622 -2.5751 -2.5736 -1.7750 -1.7744 1.2093 1.2106 2.1369 2.1387 3.3973 3.4037 4.2356 4.2629 5.1758 5.1851 5.5318 5.5358 10.5721 10.5813 11.6809 11.6858 12.7884 12.8029 13.8444 13.8576 k = 0.3988 0.4639-0.0000 ( 2498 PWs) bands (ev): -6.9710 -6.9665 -6.9500 -6.8779 -6.8729 -6.8628 -6.8495 -6.8469 -6.5966 -6.4748 -6.4719 -6.4380 -6.4224 -6.4190 -6.3993 -6.3922 -6.3888 -6.3851 -6.3739 -6.3627 -2.5400 -2.5385 -1.7825 -1.7819 1.2429 1.2444 2.1226 2.1244 3.3486 3.3539 4.2339 4.2604 5.1474 5.1571 5.4440 5.4473 10.4978 10.5063 11.8932 11.8963 12.8838 12.9002 13.9858 13.9945 k = 0.3929 0.4743-0.0000 ( 2490 PWs) bands (ev): -6.9709 -6.9664 -6.9515 -6.8774 -6.8726 -6.8608 -6.8493 -6.8466 -6.5993 -6.4754 -6.4694 -6.4385 -6.4223 -6.4192 -6.3991 -6.3921 -6.3887 -6.3848 -6.3740 -6.3633 -2.5032 -2.5016 -1.7921 -1.7916 1.2784 1.2799 2.1051 2.1069 3.2965 3.3007 4.2429 4.2685 5.1162 5.1263 5.3620 5.3645 10.4291 10.4369 12.1058 12.1068 12.9684 12.9865 14.1352 14.1391 k = 0.3869 0.4846-0.0000 ( 2482 PWs) bands (ev): -6.9707 -6.9664 -6.9529 -6.8769 -6.8725 -6.8590 -6.8490 -6.8463 -6.6017 -6.4759 -6.4670 -6.4392 -6.4221 -6.4194 -6.3988 -6.3921 -6.3888 -6.3847 -6.3739 -6.3638 -2.4648 -2.4632 -1.8044 -1.8039 1.3156 1.3172 2.0841 2.0859 3.2433 3.2464 4.2608 4.2856 5.0822 5.0926 5.2865 5.2880 10.3664 10.3735 12.3151 12.3168 13.0433 13.0629 14.2874 14.2887 k = 0.3810 0.4949-0.0000 ( 2482 PWs) bands (ev): -6.9705 -6.9663 -6.9543 -6.8765 -6.8723 -6.8575 -6.8486 -6.8460 -6.6039 -6.4765 -6.4647 -6.4400 -6.4219 -6.4197 -6.3986 -6.3920 -6.3888 -6.3847 -6.3737 -6.3644 -2.4248 -2.4232 -1.8194 -1.8190 1.3544 1.3562 2.0593 2.0611 3.1911 3.1932 4.2862 4.3101 5.0453 5.0561 5.2180 5.2186 10.3099 10.3162 12.5185 12.5235 13.1098 13.1306 14.4347 14.4415 k = 0.3750 0.5052-0.0000 ( 2486 PWs) bands (ev): -6.9703 -6.9663 -6.9557 -6.8760 -6.8723 -6.8564 -6.8481 -6.8458 -6.6059 -6.4769 -6.4625 -6.4409 -6.4218 -6.4199 -6.3983 -6.3920 -6.3890 -6.3847 -6.3734 -6.3650 -2.3834 -2.3818 -1.8375 -1.8373 1.3950 1.3969 2.0306 2.0324 3.1416 3.1430 4.3177 4.3409 5.0054 5.0168 5.1568 5.1569 10.2598 10.2653 12.7133 12.7223 13.1690 13.1907 14.5641 14.5882 k = 0.3690 0.5155-0.0000 ( 2486 PWs) bands (ev): -6.9700 -6.9662 -6.9569 -6.8756 -6.8723 -6.8555 -6.8476 -6.8456 -6.6076 -6.4772 -6.4604 -6.4419 -6.4216 -6.4202 -6.3980 -6.3918 -6.3891 -6.3848 -6.3729 -6.3656 -2.3408 -2.3392 -1.8589 -1.8588 1.4372 1.4393 1.9979 1.9998 3.0963 3.0971 4.3544 4.3771 4.9628 4.9750 5.1029 5.1034 10.2164 10.2211 12.8945 12.9083 13.2218 13.2441 14.5797 14.6175 k = 0.3631 0.5258-0.0000 ( 2490 PWs) bands (ev): -6.9696 -6.9662 -6.9581 -6.8752 -6.8724 -6.8548 -6.8470 -6.8454 -6.6090 -6.4775 -6.4584 -6.4431 -6.4215 -6.4204 -6.3977 -6.3917 -6.3893 -6.3849 -6.3724 -6.3663 -2.2970 -2.2954 -1.8839 -1.8839 1.4810 1.4833 1.9613 1.9631 3.0563 3.0566 4.3955 4.4178 4.9175 4.9308 5.0571 5.0576 10.1796 10.1834 13.0556 13.0750 13.2688 13.2912 14.5957 14.6364 k = 0.3571 0.5361-0.0000 ( 2488 PWs) bands (ev): -6.9692 -6.9662 -6.9591 -6.8748 -6.8725 -6.8543 -6.8464 -6.8453 -6.6102 -6.4777 -6.4565 -6.4443 -6.4214 -6.4206 -6.3975 -6.3916 -6.3895 -6.3850 -6.3718 -6.3669 -2.2522 -2.2507 -1.9128 -1.9126 1.5265 1.5289 1.9207 1.9226 3.0225 3.0225 4.4405 4.4624 4.8696 4.8844 5.0197 5.0199 10.1496 10.1527 13.1893 13.2148 13.3107 13.3321 14.6328 14.6759 k = 0.3512 0.5464-0.0000 ( 2488 PWs) bands (ev): -6.9688 -6.9662 -6.9600 -6.8744 -6.8727 -6.8540 -6.8459 -6.8452 -6.6111 -6.4778 -6.4547 -6.4456 -6.4213 -6.4208 -6.3973 -6.3914 -6.3898 -6.3850 -6.3711 -6.3675 -2.2067 -2.2052 -1.9455 -1.9451 1.5736 1.5761 1.8765 1.8785 2.9954 2.9955 4.4888 4.5106 4.8192 4.8354 4.9906 4.9907 10.1265 10.1288 13.2874 13.3209 13.3494 13.3667 14.6957 14.7391 k = 0.3452 0.5567-0.0000 ( 2488 PWs) bands (ev): -6.9683 -6.9664 -6.9607 -6.8740 -6.8729 -6.8538 -6.8455 -6.8451 -6.6117 -6.4779 -6.4530 -6.4470 -6.4212 -6.4210 -6.3971 -6.3911 -6.3900 -6.3850 -6.3705 -6.3681 -2.1605 -2.1592 -1.9822 -1.9815 1.6224 1.6251 1.8291 1.8312 2.9758 2.9760 4.5400 4.5619 4.7666 4.7838 4.9699 4.9701 10.1102 10.1116 13.3439 13.3877 13.3892 13.3950 14.7839 14.8237 k = 0.3393 0.5670-0.0000 ( 2488 PWs) bands (ev): -6.9678 -6.9667 -6.9611 -6.8737 -6.8731 -6.8537 -6.8453 -6.8451 -6.6121 -6.4780 -6.4514 -6.4484 -6.4212 -6.4211 -6.3970 -6.3909 -6.3903 -6.3851 -6.3699 -6.3687 -2.1140 -2.1128 -2.0228 -2.0219 1.6728 1.6757 1.7790 1.7811 2.9640 2.9641 4.5932 4.6161 4.7125 4.7297 4.9577 4.9579 10.1006 10.1013 13.3699 13.4143 13.4155 13.4238 14.8862 14.9152 k = 0.3333 0.5774-0.0000 ( 2490 PWs) bands (ev): -6.9672 -6.9672 -6.9613 -6.8734 -6.8734 -6.8537 -6.8451 -6.8451 -6.6122 -6.4780 -6.4499 -6.4499 -6.4211 -6.4211 -6.3970 -6.3906 -6.3906 -6.3851 -6.3693 -6.3693 -2.0681 -2.0669 -2.0669 -2.0657 1.7183 1.7235 1.7334 1.7334 2.9600 2.9600 4.6359 4.6693 4.6693 4.6766 4.9537 4.9537 10.0975 10.0975 13.3783 13.4244 13.4244 13.4297 14.9589 14.9589 k = 0.3333 0.5774-0.0000 ( 2490 PWs) bands (ev): -6.9672 -6.9672 -6.9613 -6.8734 -6.8734 -6.8537 -6.8451 -6.8451 -6.6122 -6.4780 -6.4499 -6.4499 -6.4211 -6.4211 -6.3970 -6.3906 -6.3906 -6.3851 -6.3693 -6.3693 -2.0681 -2.0669 -2.0669 -2.0657 1.7183 1.7235 1.7334 1.7334 2.9600 2.9600 4.6359 4.6693 4.6693 4.6766 4.9537 4.9537 10.0975 10.0975 13.3783 13.4244 13.4244 13.4297 14.9589 14.9589 k = 0.3274 0.5670-0.0000 ( 2488 PWs) bands (ev): -6.9679 -6.9666 -6.9612 -6.8737 -6.8731 -6.8537 -6.8452 -6.8451 -6.6121 -6.4780 -6.4514 -6.4484 -6.4211 -6.4211 -6.3970 -6.3909 -6.3903 -6.3851 -6.3699 -6.3688 -2.1160 -2.1146 -2.0211 -2.0201 1.6710 1.6742 1.7808 1.7832 2.9639 2.9641 4.5910 4.6142 4.7141 4.7322 4.9575 4.9578 10.1005 10.1011 13.3689 13.4075 13.4201 13.4308 14.8981 14.9086 k = 0.3214 0.5567-0.0000 ( 2484 PWs) bands (ev): -6.9686 -6.9659 -6.9608 -6.8740 -6.8728 -6.8538 -6.8454 -6.8452 -6.6118 -6.4779 -6.4529 -6.4470 -6.4211 -6.4211 -6.3971 -6.3911 -6.3900 -6.3850 -6.3704 -6.3682 -2.1683 -2.1666 -1.9752 -1.9743 1.6159 1.6192 1.8371 1.8396 2.9756 2.9760 4.5311 4.5538 4.7743 4.7933 4.9687 4.9696 10.1099 10.1113 13.3403 13.3716 13.4088 13.4245 14.8034 14.8118 k = 0.3155 0.5464-0.0000 ( 2492 PWs) bands (ev): -6.9695 -6.9652 -6.9604 -6.8744 -6.8726 -6.8541 -6.8456 -6.8454 -6.6112 -6.4779 -6.4545 -6.4457 -6.4211 -6.4210 -6.3972 -6.3914 -6.3898 -6.3851 -6.3710 -6.3678 -2.2243 -2.2223 -1.9302 -1.9295 1.5604 1.5640 1.8959 1.8984 2.9950 2.9956 4.4692 4.4919 4.8371 4.8563 4.9872 4.9886 10.1255 10.1274 13.2965 13.3230 13.3907 13.4085 14.7013 14.7069 k = 0.3095 0.5361-0.0000 ( 2498 PWs) bands (ev): -6.9703 -6.9645 -6.9598 -6.8748 -6.8725 -6.8544 -6.8459 -6.8456 -6.6105 -6.4779 -6.4561 -6.4445 -6.4211 -6.4209 -6.3974 -6.3916 -6.3896 -6.3851 -6.3715 -6.3674 -2.2836 -2.2814 -1.8865 -1.8860 1.5052 1.5093 1.9571 1.9597 3.0218 3.0226 4.4059 4.4288 4.9016 4.9205 5.0127 5.0150 10.1471 10.1496 13.2419 13.2654 13.3646 13.3827 14.5967 14.5994 k = 0.3036 0.5258-0.0000 ( 2490 PWs) bands (ev): -6.9711 -6.9636 -6.9591 -6.8752 -6.8723 -6.8548 -6.8462 -6.8458 -6.6095 -6.4778 -6.4577 -6.4433 -6.4211 -6.4207 -6.3976 -6.3918 -6.3894 -6.3851 -6.3719 -6.3670 -2.3462 -2.3436 -1.8444 -1.8442 1.4514 1.4559 2.0210 2.0235 3.0556 3.0567 4.3419 4.3649 4.9670 4.9849 5.0452 5.0491 10.1745 10.1775 13.1798 13.2011 13.3300 13.3476 14.4909 14.4914 k = 0.2976 0.5155-0.0000 ( 2490 PWs) bands (ev): -6.9718 -6.9627 -6.9583 -6.8757 -6.8722 -6.8554 -6.8465 -6.8461 -6.6084 -6.4777 -6.4594 -6.4422 -6.4211 -6.4206 -6.3979 -6.3920 -6.3893 -6.3851 -6.3723 -6.3666 -2.4116 -2.4088 -1.8045 -1.8045 1.3995 1.4046 2.0877 2.0900 3.0962 3.0976 4.2774 4.3006 5.0320 5.0469 5.0856 5.0931 10.2075 10.2109 13.1120 13.1318 13.2875 13.3041 14.3820 14.3856 k = 0.2917 0.5052-0.0000 ( 2488 PWs) bands (ev): -6.9726 -6.9618 -6.9574 -6.8761 -6.8721 -6.8562 -6.8469 -6.8462 -6.6071 -6.4776 -6.4610 -6.4412 -6.4211 -6.4203 -6.3982 -6.3921 -6.3892 -6.3852 -6.3727 -6.3664 -2.4797 -2.4767 -1.7674 -1.7672 1.3503 1.3560 2.1573 2.1595 3.1431 3.1447 4.2128 4.2361 5.0935 5.1030 5.1365 5.1500 10.2458 10.2497 13.0401 13.0587 13.2377 13.2530 14.2732 14.2801 k = 0.2857 0.4949-0.0000 ( 2486 PWs) bands (ev): -6.9733 -6.9608 -6.9564 -6.8766 -6.8720 -6.8571 -6.8474 -6.8464 -6.6057 -6.4775 -6.4626 -6.4402 -6.4211 -6.4201 -6.3985 -6.3923 -6.3892 -6.3853 -6.3730 -6.3661 -2.5502 -2.5469 -1.7335 -1.7329 1.3047 1.3109 2.2300 2.2320 3.1960 3.1978 4.1485 4.1719 5.1499 5.1557 5.1989 5.2165 10.2892 10.2935 12.9652 12.9829 13.1818 13.1957 14.1649 14.1751 k = 0.2798 0.4846-0.0000 ( 2498 PWs) bands (ev): -6.9740 -6.9597 -6.9554 -6.8771 -6.8721 -6.8582 -6.8479 -6.8465 -6.6043 -6.4775 -6.4643 -6.4393 -6.4211 -6.4199 -6.3989 -6.3924 -6.3892 -6.3854 -6.3733 -6.3660 -2.6227 -2.6192 -1.7031 -1.7023 1.2631 1.2699 2.3058 2.3076 3.2544 3.2564 4.0849 4.1083 5.2051 5.2096 5.2684 5.2878 10.3373 10.3419 12.8882 12.9052 13.1208 13.1332 14.0574 14.0709 k = 0.2738 0.4743-0.0000 ( 2500 PWs) bands (ev): -6.9746 -6.9587 -6.9543 -6.8776 -6.8721 -6.8594 -6.8484 -6.8465 -6.6026 -6.4774 -6.4659 -6.4384 -6.4211 -6.4197 -6.3993 -6.3925 -6.3893 -6.3856 -6.3736 -6.3659 -2.6970 -2.6932 -1.6768 -1.6758 1.2264 1.2338 2.3850 2.3865 3.3179 3.3201 4.0224 4.0458 5.2623 5.2664 5.3413 5.3616 10.3900 10.3949 12.8098 12.8262 13.0559 13.0669 13.9509 13.9676 k = 0.2679 0.4639-0.0000 ( 2508 PWs) bands (ev): -6.9752 -6.9575 -6.9532 -6.8781 -6.8722 -6.8607 -6.8490 -6.8465 -6.6010 -6.4774 -6.4675 -6.4376 -6.4211 -6.4195 -6.3997 -6.3926 -6.3895 -6.3858 -6.3739 -6.3659 -2.7727 -2.7688 -1.6551 -1.6538 1.1949 1.2029 2.4674 2.4687 3.3862 3.3886 3.9615 3.9848 5.3225 5.3265 5.4164 5.4371 10.4469 10.4521 12.7304 12.7464 12.9881 12.9978 13.8457 13.8655 k = 0.2619 0.4536-0.0000 ( 2512 PWs) bands (ev): -6.9756 -6.9563 -6.9519 -6.8786 -6.8723 -6.8622 -6.8496 -6.8465 -6.5992 -6.4774 -6.4691 -6.4368 -6.4211 -6.4193 -6.4001 -6.3927 -6.3897 -6.3860 -6.3741 -6.3659 -2.8496 -2.8455 -1.6382 -1.6367 1.1690 1.1776 2.5533 2.5542 3.4590 3.4615 3.9025 3.9257 5.3857 5.3899 5.4928 5.5140 10.5076 10.5130 12.6507 12.6662 12.9184 12.9268 13.7419 13.7646 k = 0.2560 0.4433-0.0000 ( 2502 PWs) bands (ev): -6.9761 -6.9550 -6.9506 -6.8791 -6.8724 -6.8636 -6.8501 -6.8464 -6.5973 -6.4773 -6.4707 -6.4361 -6.4211 -6.4191 -6.4006 -6.3927 -6.3899 -6.3863 -6.3742 -6.3659 -2.9274 -2.9232 -1.6266 -1.6249 1.1492 1.1583 2.6425 2.6432 3.5358 3.5384 3.8460 3.8690 5.4521 5.4563 5.5704 5.5918 10.5719 10.5774 12.5710 12.5863 12.8477 12.8550 13.6397 13.6652 k = 0.2500 0.4330-0.0000 ( 2502 PWs) bands (ev): -6.9764 -6.9537 -6.9492 -6.8796 -6.8725 -6.8651 -6.8508 -6.8463 -6.5954 -6.4772 -6.4722 -6.4354 -6.4210 -6.4189 -6.4010 -6.3928 -6.3902 -6.3866 -6.3744 -6.3660 -3.0058 -3.0015 -1.6204 -1.6186 1.1354 1.1449 2.7351 2.7355 3.6164 3.6189 3.7925 3.8152 5.5212 5.5257 5.6489 5.6706 10.6392 10.6449 12.4916 12.5066 12.7767 12.7830 13.5390 13.5671 k = 0.2440 0.4227-0.0000 ( 2501 PWs) bands (ev): -6.9767 -6.9524 -6.9477 -6.8802 -6.8727 -6.8666 -6.8515 -6.8462 -6.5934 -6.4772 -6.4737 -6.4348 -6.4209 -6.4188 -6.4015 -6.3929 -6.3905 -6.3869 -6.3745 -6.3661 -3.0847 -3.0802 -1.6197 -1.6178 1.1275 1.1375 2.8311 2.8312 3.7005 3.7009 3.7445 3.7648 5.5931 5.5977 5.7282 5.7501 10.7092 10.7149 12.4129 12.4277 12.7062 12.7117 13.4400 13.4706 k = 0.2381 0.4124-0.0000 ( 2503 PWs) bands (ev): -6.9769 -6.9510 -6.9461 -6.8807 -6.8729 -6.8682 -6.8522 -6.8462 -6.5914 -6.4771 -6.4751 -6.4342 -6.4208 -6.4188 -6.4020 -6.3930 -6.3908 -6.3873 -6.3747 -6.3663 -3.1637 -3.1591 -1.6245 -1.6226 1.1253 1.1357 2.9302 2.9304 3.6940 3.7184 3.7879 3.7926 5.6674 5.6721 5.8080 5.8301 10.7813 10.7870 12.3351 12.3497 12.6370 12.6417 13.3427 13.3757 k = 0.2321 0.4021-0.0000 ( 2499 PWs) bands (ev): -6.9771 -6.9495 -6.9445 -6.8812 -6.8731 -6.8698 -6.8529 -6.8461 -6.5893 -6.4771 -6.4765 -6.4337 -6.4207 -6.4188 -6.4025 -6.3931 -6.3911 -6.3878 -6.3747 -6.3665 -3.2426 -3.2380 -1.6347 -1.6329 1.1284 1.1390 3.0325 3.0329 3.6531 3.6767 3.8782 3.8823 5.7438 5.7487 5.8882 5.9105 10.8548 10.8605 12.2585 12.2730 12.5699 12.5738 13.2473 13.2824 k = 0.2262 0.3918-0.0000 ( 2519 PWs) bands (ev): -6.9772 -6.9481 -6.9429 -6.8818 -6.8734 -6.8714 -6.8536 -6.8462 -6.5873 -6.4780 -6.4771 -6.4333 -6.4206 -6.4189 -6.4031 -6.3932 -6.3916 -6.3883 -6.3749 -6.3668 -3.3213 -3.3167 -1.6500 -1.6482 1.1360 1.1468 3.1380 3.1386 3.6169 3.6401 3.9712 3.9752 5.8223 5.8272 5.9686 5.9912 10.9290 10.9346 12.1834 12.1976 12.5056 12.5088 13.1536 13.1908 k = 0.2202 0.3815-0.0000 ( 2515 PWs) bands (ev): -6.9772 -6.9466 -6.9412 -6.8823 -6.8737 -6.8730 -6.8544 -6.8462 -6.5851 -6.4793 -6.4770 -6.4329 -6.4204 -6.4190 -6.4036 -6.3934 -6.3920 -6.3888 -6.3750 -6.3670 -3.3996 -3.3949 -1.6701 -1.6685 1.1475 1.1584 3.2466 3.2474 3.5866 3.6095 4.0666 4.0708 5.9025 5.9076 6.0493 6.0720 11.0029 11.0084 12.1099 12.1240 12.4452 12.4478 13.0619 13.1010 k = 0.2143 0.3712-0.0000 ( 2519 PWs) bands (ev): -6.9772 -6.9450 -6.9394 -6.8829 -6.8746 -6.8740 -6.8551 -6.8463 -6.5830 -6.4806 -6.4770 -6.4326 -6.4203 -6.4192 -6.4042 -6.3935 -6.3924 -6.3893 -6.3751 -6.3673 -3.4772 -3.4725 -1.6945 -1.6931 1.1618 1.1728 3.3583 3.3592 3.5630 3.5856 4.1644 4.1686 5.9842 5.9894 6.1298 6.1527 11.0752 11.0804 12.0383 12.0523 12.3898 12.3918 12.9721 13.0130 k = 0.2083 0.3608-0.0000 ( 2521 PWs) bands (ev): -6.9771 -6.9434 -6.9376 -6.8834 -6.8761 -6.8743 -6.8559 -6.8464 -6.5808 -6.4818 -6.4770 -6.4323 -6.4201 -6.4194 -6.4047 -6.3937 -6.3928 -6.3899 -6.3751 -6.3675 -3.5540 -3.5494 -1.7228 -1.7217 1.1780 1.1889 3.4730 3.4730 3.5477 3.5690 4.2642 4.2686 6.0672 6.0725 6.2102 6.2332 11.1444 11.1492 11.9687 11.9825 12.3409 12.3423 12.8842 12.9268 k = 0.2024 0.3505-0.0000 ( 2513 PWs) bands (ev): -6.9769 -6.9418 -6.9357 -6.8839 -6.8776 -6.8746 -6.8567 -6.8465 -6.5786 -6.4829 -6.4769 -6.4321 -6.4198 -6.4197 -6.4052 -6.3940 -6.3931 -6.3905 -6.3751 -6.3678 -3.6299 -3.6253 -1.7546 -1.7537 1.1950 1.2059 3.5353 3.5605 3.5905 3.5947 4.3658 4.3703 6.1513 6.1567 6.2903 6.3134 11.2083 11.2127 11.9013 11.9150 12.3004 12.3012 12.7984 12.8425 k = 0.1964 0.3402-0.0000 ( 2517 PWs) bands (ev): -6.9766 -6.9402 -6.9337 -6.8844 -6.8791 -6.8750 -6.8575 -6.8468 -6.5764 -6.4839 -6.4769 -6.4320 -6.4201 -6.4196 -6.4057 -6.3943 -6.3935 -6.3911 -6.3751 -6.3680 -3.7048 -3.7002 -1.7893 -1.7887 1.2119 1.2226 3.5372 3.5607 3.7108 3.7137 4.4691 4.4738 6.2362 6.2417 6.3699 6.3931 11.2644 11.2681 11.8363 11.8499 12.2704 12.2705 12.7145 12.7601 k = 0.1905 0.3299-0.0000 ( 2525 PWs) bands (ev): -6.9763 -6.9386 -6.9318 -6.8850 -6.8805 -6.8754 -6.8584 -6.8471 -6.5742 -6.4849 -6.4769 -6.4319 -6.4205 -6.4193 -6.4062 -6.3947 -6.3939 -6.3917 -6.3751 -6.3683 -3.7784 -3.7739 -1.8264 -1.8262 1.2276 1.2382 3.5471 3.5703 3.8337 3.8365 4.5737 4.5786 6.3217 6.3273 6.4489 6.4722 11.3098 11.3128 11.7738 11.7873 12.2526 12.2533 12.6326 12.6796 k = 0.1845 0.3196-0.0000 ( 2523 PWs) bands (ev): -6.9758 -6.9369 -6.9298 -6.8855 -6.8819 -6.8758 -6.8592 -6.8475 -6.5720 -6.4858 -6.4769 -6.4320 -6.4210 -6.4190 -6.4067 -6.3951 -6.3943 -6.3923 -6.3751 -6.3685 -3.8507 -3.8463 -1.8657 -1.8655 1.2413 1.2517 3.5668 3.5897 3.9591 3.9620 4.6796 4.6847 6.4075 6.4133 6.5272 6.5505 11.3422 11.3442 11.7140 11.7274 12.2497 12.2512 12.5528 12.6012 k = 0.1786 0.3093-0.0000 ( 2519 PWs) bands (ev): -6.9753 -6.9352 -6.9278 -6.8859 -6.8832 -6.8762 -6.8600 -6.8480 -6.5697 -6.4865 -6.4768 -6.4321 -6.4215 -6.4187 -6.4072 -6.3956 -6.3947 -6.3928 -6.3749 -6.3687 -3.9216 -3.9173 -1.9067 -1.9062 1.2524 1.2625 3.5965 3.6192 4.0868 4.0898 4.7866 4.7919 6.4934 6.4993 6.6047 6.6279 11.3597 11.3608 11.6571 11.6704 12.2626 12.2648 12.4750 12.5248 k = 0.1726 0.2990-0.0000 ( 2519 PWs) bands (ev): -6.9748 -6.9336 -6.9257 -6.8864 -6.8845 -6.8766 -6.8609 -6.8485 -6.5674 -6.4872 -6.4768 -6.4324 -6.4220 -6.4184 -6.4076 -6.3962 -6.3951 -6.3934 -6.3748 -6.3689 -3.9910 -3.9868 -1.9489 -1.9480 1.2603 1.2701 3.6365 3.6590 4.2168 4.2198 4.8943 4.8999 6.5791 6.5852 6.6811 6.7042 11.3626 11.3627 11.6031 11.6163 12.2904 12.2932 12.3993 12.4504 k = 0.1667 0.2887-0.0000 ( 2523 PWs) bands (ev): -6.9741 -6.9319 -6.9237 -6.8869 -6.8857 -6.8771 -6.8617 -6.8492 -6.5652 -6.4878 -6.4768 -6.4327 -6.4226 -6.4180 -6.4080 -6.3968 -6.3955 -6.3939 -6.3747 -6.3691 -4.0587 -4.0547 -1.9919 -1.9906 1.2646 1.2742 3.6868 3.7091 4.3487 4.3518 5.0028 5.0086 6.6642 6.6707 6.7566 6.7794 11.3515 11.3522 11.5521 11.5653 12.3247 12.3315 12.3331 12.3789 k = 0.1607 0.2784-0.0000 ( 2517 PWs) bands (ev): -6.9734 -6.9303 -6.9216 -6.8873 -6.8869 -6.8775 -6.8626 -6.8499 -6.5629 -6.4882 -6.4768 -6.4331 -6.4232 -6.4176 -6.4083 -6.3974 -6.3959 -6.3944 -6.3745 -6.3692 -4.1247 -4.1209 -2.0352 -2.0336 1.2654 1.2747 3.7472 3.7693 4.4824 4.4855 5.1118 5.1179 6.7484 6.7554 6.8311 6.8534 11.3296 11.3310 11.5043 11.5176 12.2539 12.3066 12.3797 12.3844 k = 0.1548 0.2681-0.0000 ( 2517 PWs) bands (ev): -6.9726 -6.9287 -6.9195 -6.8879 -6.8878 -6.8780 -6.8634 -6.8507 -6.5606 -6.4886 -6.4768 -6.4337 -6.4239 -6.4172 -6.4085 -6.3982 -6.3964 -6.3950 -6.3743 -6.3694 -4.1890 -4.1853 -2.0787 -2.0768 1.2626 1.2716 3.8174 3.8393 4.6175 4.6206 5.2211 5.2276 6.8313 6.8390 6.9045 6.9260 11.2997 11.3015 11.4595 11.4731 12.1844 12.2388 12.4335 12.4380 k = 0.1488 0.2577-0.0000 ( 2519 PWs) bands (ev): -6.9718 -6.9271 -6.9175 -6.8890 -6.8882 -6.8785 -6.8643 -6.8517 -6.5583 -6.4888 -6.4768 -6.4344 -6.4245 -6.4168 -6.4087 -6.3989 -6.3968 -6.3956 -6.3740 -6.3694 -4.2514 -4.2479 -2.1221 -2.1198 1.2565 1.2652 3.8969 3.9186 4.7539 4.7569 5.3307 5.3376 6.9122 6.9211 6.9772 6.9974 11.2638 11.2659 11.4178 11.4320 12.1169 12.1727 12.4880 12.4925 k = 0.1429 0.2474-0.0000 ( 2517 PWs) bands (ev): -6.9708 -6.9256 -6.9155 -6.8899 -6.8886 -6.8789 -6.8652 -6.8527 -6.5560 -6.4889 -6.4767 -6.4353 -6.4251 -6.4164 -6.4089 -6.3996 -6.3972 -6.3962 -6.3737 -6.3695 -4.3119 -4.3085 -2.1650 -2.1624 1.2473 1.2557 3.9852 4.0066 4.8909 4.8938 5.4406 5.4479 6.9906 7.0012 7.0493 7.0677 11.2236 11.2257 11.3792 11.3942 12.0515 12.1088 12.5394 12.5440 k = 0.1369 0.2371-0.0000 ( 2521 PWs) bands (ev): -6.9698 -6.9242 -6.9135 -6.8908 -6.8890 -6.8794 -6.8661 -6.8539 -6.5537 -6.4890 -6.4768 -6.4362 -6.4257 -6.4160 -6.4090 -6.4004 -6.3977 -6.3968 -6.3734 -6.3695 -4.3703 -4.3672 -2.2073 -2.2044 1.2354 1.2435 4.0816 4.1027 5.0282 5.0309 5.5507 5.5586 7.0657 7.0788 7.1212 7.1370 11.1801 11.1820 11.3437 11.3596 11.9882 12.0471 12.5841 12.5886 k = 0.1310 0.2268-0.0000 ( 2517 PWs) bands (ev): -6.9688 -6.9228 -6.9115 -6.8915 -6.8893 -6.8799 -6.8670 -6.8551 -6.5513 -6.4888 -6.4767 -6.4373 -6.4263 -6.4155 -6.4090 -6.4011 -6.3981 -6.3974 -6.3730 -6.3694 -4.4268 -4.4239 -2.2487 -2.2456 1.2212 1.2290 4.1854 4.2064 5.1651 5.1675 5.6613 5.6698 7.1369 7.1530 7.1932 7.2059 11.1339 11.1355 11.3112 11.3284 11.9272 11.9877 12.6186 12.6230 k = 0.1250 0.2165-0.0000 ( 2521 PWs) bands (ev): -6.9676 -6.9215 -6.9096 -6.8922 -6.8897 -6.8804 -6.8679 -6.8564 -6.5490 -6.4886 -6.4767 -6.4386 -6.4268 -6.4151 -6.4089 -6.4018 -6.3986 -6.3980 -6.3726 -6.3694 -4.4811 -4.4784 -2.2892 -2.2859 1.2051 1.2126 4.2961 4.3168 5.3007 5.3027 5.7727 5.7819 7.2041 7.2231 7.2651 7.2746 11.0854 11.0867 11.2817 11.3003 11.8685 11.9307 12.6398 12.6440 k = 0.1190 0.2062-0.0000 ( 2525 PWs) bands (ev): -6.9664 -6.9203 -6.9078 -6.8928 -6.8900 -6.8810 -6.8688 -6.8579 -6.5466 -6.4883 -6.4767 -6.4400 -6.4273 -6.4147 -6.4089 -6.4025 -6.3991 -6.3986 -6.3722 -6.3693 -4.5333 -4.5308 -2.3285 -2.3250 1.1876 1.1947 4.4129 4.4333 5.4340 5.4356 5.8854 5.8952 7.2675 7.2888 7.3363 7.3432 11.0346 11.0354 11.2549 11.2752 11.8122 11.8764 12.6449 12.6490 k = 0.1131 0.1959-0.0000 ( 2521 PWs) bands (ev): -6.9651 -6.9192 -6.9060 -6.8933 -6.8903 -6.8815 -6.8697 -6.8594 -6.5442 -6.4878 -6.4767 -6.4415 -6.4277 -6.4143 -6.4087 -6.4032 -6.3996 -6.3993 -6.3717 -6.3691 -4.5832 -4.5810 -2.3665 -2.3629 1.1690 1.1758 4.5353 4.5554 5.5638 5.5650 6.0000 6.0107 7.3275 7.3504 7.4060 7.4111 10.9814 10.9817 11.2304 11.2525 11.7588 11.8249 12.6324 12.6363 k = 0.1071 0.1856-0.0000 ( 2525 PWs) bands (ev): -6.9637 -6.9183 -6.9042 -6.8936 -6.8906 -6.8820 -6.8706 -6.8609 -6.5418 -6.4873 -6.4767 -6.4432 -6.4281 -6.4140 -6.4086 -6.4038 -6.4000 -6.3999 -6.3712 -6.3690 -4.6310 -4.6289 -2.4031 -2.3994 1.1496 1.1561 4.6624 4.6822 5.6887 5.6894 6.1175 6.1289 7.3845 7.4082 7.4737 7.4775 10.9251 10.9254 11.2078 11.2317 11.7086 11.7766 12.6020 12.6055 k = 0.1012 0.1753-0.0000 ( 2525 PWs) bands (ev): -6.9623 -6.9175 -6.9026 -6.8939 -6.8908 -6.8825 -6.8715 -6.8626 -6.5393 -6.4866 -6.4766 -6.4449 -6.4283 -6.4137 -6.4084 -6.4044 -6.4005 -6.4005 -6.3708 -6.3688 -4.6764 -4.6745 -2.4382 -2.4344 1.1298 1.1360 4.7938 4.8133 5.8071 5.8074 6.2386 6.2507 7.4385 7.4627 7.5388 7.5418 10.8653 10.8662 11.1862 11.2119 11.6622 11.7320 12.5547 12.5578 k = 0.0952 0.1650-0.0000 ( 2537 PWs) bands (ev): -6.9608 -6.9169 -6.9011 -6.8941 -6.8910 -6.8831 -6.8724 -6.8643 -6.5369 -6.4860 -6.4765 -6.4469 -6.4286 -6.4135 -6.4083 -6.4050 -6.4011 -6.4009 -6.3703 -6.3686 -4.7195 -4.7178 -2.4716 -2.4678 1.1100 1.1158 4.9287 4.9479 5.9180 5.9180 6.3639 6.3766 7.4898 7.5142 7.6011 7.6035 10.8016 10.8032 11.1647 11.1917 11.6206 11.6917 12.4931 12.4956 k = 0.0893 0.1546-0.0000 ( 2533 PWs) bands (ev): -6.9592 -6.9164 -6.8996 -6.8941 -6.8912 -6.8836 -6.8733 -6.8660 -6.5343 -6.4852 -6.4764 -6.4490 -6.4287 -6.4134 -6.4080 -6.4055 -6.4016 -6.4013 -6.3697 -6.3683 -4.7602 -4.7587 -2.5034 -2.4995 1.0903 1.0958 5.0666 5.0853 6.0206 6.0207 6.4934 6.5065 7.5382 7.5627 7.6603 7.6623 10.7335 10.7358 11.1420 11.1698 11.5849 11.6565 12.4206 12.4223 k = 0.0833 0.1443-0.0000 ( 2535 PWs) bands (ev): -6.9576 -6.9161 -6.8982 -6.8940 -6.8914 -6.8841 -6.8741 -6.8677 -6.5317 -6.4844 -6.4763 -6.4511 -6.4288 -6.4134 -6.4078 -6.4059 -6.4020 -6.4016 -6.3693 -6.3680 -4.7985 -4.7972 -2.5333 -2.5296 1.0710 1.0761 5.2066 5.2250 6.1147 6.1149 6.6267 6.6402 7.5839 7.6083 7.7161 7.7177 10.6603 10.6633 11.1169 11.1441 11.5563 11.6272 12.3409 12.3417 k = 0.0774 0.1340-0.0000 ( 2531 PWs) bands (ev): -6.9558 -6.9160 -6.8970 -6.8938 -6.8915 -6.8846 -6.8749 -6.8693 -6.5290 -6.4836 -6.4762 -6.4534 -6.4287 -6.4135 -6.4076 -6.4063 -6.4023 -6.4019 -6.3688 -6.3678 -4.8343 -4.8332 -2.5615 -2.5578 1.0524 1.0571 5.3481 5.3660 6.2007 6.2007 6.7628 6.7766 7.6268 7.6511 7.7684 7.7696 10.5815 10.5853 11.0878 11.1133 11.5358 11.6044 12.2577 12.2578 k = 0.0714 0.1237-0.0000 ( 2535 PWs) bands (ev): -6.9541 -6.9160 -6.8958 -6.8936 -6.8916 -6.8851 -6.8757 -6.8710 -6.5263 -6.4827 -6.4761 -6.4558 -6.4286 -6.4138 -6.4075 -6.4067 -6.4025 -6.4021 -6.3683 -6.3675 -4.8676 -4.8668 -2.5877 -2.5841 1.0345 1.0389 5.4903 5.5077 6.2786 6.2788 6.9006 6.9146 7.6669 7.6910 7.8169 7.8179 10.4969 10.5014 11.0537 11.0761 11.5239 11.5888 12.1738 12.1750 k = 0.0655 0.1134-0.0000 ( 2543 PWs) bands (ev): -6.9523 -6.9162 -6.8948 -6.8934 -6.8917 -6.8856 -6.8765 -6.8726 -6.5236 -6.4819 -6.4760 -6.4583 -6.4285 -6.4143 -6.4074 -6.4070 -6.4027 -6.4023 -6.3679 -6.3673 -4.8985 -4.8977 -2.6119 -2.6085 1.0175 1.0216 5.6321 5.6491 6.3489 6.3493 7.0386 7.0531 7.7041 7.7281 7.8615 7.8623 10.4066 10.4118 11.0138 11.0323 11.5200 11.5800 12.0930 12.0953 k = 0.0595 0.1031-0.0000 ( 2543 PWs) bands (ev): -6.9504 -6.9166 -6.8939 -6.8931 -6.8917 -6.8861 -6.8772 -6.8741 -6.5208 -6.4811 -6.4759 -6.4609 -6.4282 -6.4148 -6.4073 -6.4072 -6.4027 -6.4024 -6.3675 -6.3670 -4.9267 -4.9261 -2.6342 -2.6310 1.0017 1.0054 5.7727 5.7890 6.4121 6.4128 7.1755 7.1905 7.7383 7.7624 7.9022 7.9029 10.3111 10.3170 10.9681 10.9823 11.5231 11.5777 12.0176 12.0211 k = 0.0536 0.0928-0.0000 ( 2531 PWs) bands (ev): -6.9484 -6.9172 -6.8931 -6.8928 -6.8917 -6.8865 -6.8778 -6.8755 -6.5179 -6.4802 -6.4757 -6.4636 -6.4279 -6.4154 -6.4074 -6.4073 -6.4026 -6.4024 -6.3670 -6.3667 -4.9524 -4.9520 -2.6544 -2.6514 0.9870 0.9904 5.9107 5.9263 6.4686 6.4695 7.3096 7.3255 7.7696 7.7940 7.9390 7.9394 10.2117 10.2181 10.9168 10.9270 11.5317 11.5806 11.9495 11.9540 k = 0.0476 0.0825-0.0000 ( 2535 PWs) bands (ev): -6.9464 -6.9179 -6.8925 -6.8925 -6.8916 -6.8869 -6.8784 -6.8767 -6.5150 -6.4795 -6.4756 -6.4663 -6.4275 -6.4161 -6.4076 -6.4073 -6.4025 -6.4023 -6.3667 -6.3664 -4.9755 -4.9751 -2.6726 -2.6698 0.9737 0.9767 6.0446 6.0594 6.5187 6.5197 7.4390 7.4564 7.7978 7.8231 7.9717 7.9720 10.1099 10.1168 10.8610 10.8678 11.5439 11.5872 11.8896 11.8950 k = 0.0417 0.0722-0.0000 ( 2539 PWs) bands (ev): -6.9444 -6.9189 -6.8923 -6.8922 -6.8914 -6.8874 -6.8789 -6.8777 -6.5120 -6.4788 -6.4755 -6.4692 -6.4271 -6.4169 -6.4077 -6.4074 -6.4024 -6.4023 -6.3663 -6.3662 -4.9959 -4.9957 -2.6886 -2.6862 0.9618 0.9644 6.1725 6.1865 6.5625 6.5638 7.5613 7.5813 7.8229 7.8501 8.0004 8.0005 10.0082 10.0152 10.8020 10.8061 11.5580 11.5959 11.8389 11.8449 k = 0.0357 0.0619-0.0000 ( 2537 PWs) bands (ev): -6.9423 -6.9200 -6.8921 -6.8920 -6.8910 -6.8878 -6.8794 -6.8786 -6.5090 -6.4781 -6.4754 -6.4721 -6.4266 -6.4177 -6.4078 -6.4075 -6.4023 -6.4022 -6.3660 -6.3659 -5.0137 -5.0135 -2.7026 -2.7004 0.9513 0.9535 6.2924 6.3052 6.6006 6.6020 7.6731 7.6980 7.8448 7.8764 8.0249 8.0251 9.9092 9.9161 10.7417 10.7438 11.5722 11.6047 11.7978 11.8039 k = 0.0298 0.0515-0.0000 ( 2539 PWs) bands (ev): -6.9402 -6.9213 -6.8920 -6.8919 -6.8907 -6.8881 -6.8798 -6.8793 -6.5060 -6.4775 -6.4754 -6.4749 -6.4260 -6.4185 -6.4079 -6.4076 -6.4021 -6.4021 -6.3658 -6.3657 -5.0288 -5.0286 -2.7143 -2.7125 0.9424 0.9442 6.4013 6.4129 6.6332 6.6348 7.7681 7.8035 7.8641 7.9054 8.0455 8.0460 9.8163 9.8228 10.6826 10.6833 11.5847 11.6115 11.7670 11.7725 k = 0.0238 0.0412-0.0000 ( 2539 PWs) bands (ev): -6.9381 -6.9228 -6.8918 -6.8918 -6.8904 -6.8885 -6.8801 -6.8799 -6.5029 -6.4781 -6.4770 -6.4752 -6.4255 -6.4194 -6.4080 -6.4077 -6.4020 -6.4019 -6.3656 -6.3655 -5.0411 -5.0410 -2.7240 -2.7225 0.9351 0.9365 6.4960 6.5061 6.6612 6.6628 7.8357 7.8750 7.9004 7.9450 8.0626 8.0633 9.7330 9.7388 10.6274 10.6274 11.5938 11.6145 11.7466 11.7507 k = 0.0179 0.0309-0.0000 ( 2539 PWs) bands (ev): -6.9360 -6.9244 -6.8918 -6.8918 -6.8902 -6.8888 -6.8803 -6.8802 -6.4998 -6.4811 -6.4765 -6.4752 -6.4248 -6.4202 -6.4080 -6.4078 -6.4018 -6.4018 -6.3654 -6.3654 -5.0508 -5.0507 -2.7314 -2.7303 0.9294 0.9305 6.5721 6.5802 6.6857 6.6872 7.8720 7.8890 7.9736 7.9951 8.0768 8.0779 9.6631 9.6679 10.5792 10.5796 11.5990 11.6134 11.7355 11.7377 k = 0.0119 0.0206-0.0000 ( 2539 PWs) bands (ev): -6.9339 -6.9261 -6.8917 -6.8917 -6.8900 -6.8891 -6.8805 -6.8805 -6.4967 -6.4842 -6.4761 -6.4753 -6.4241 -6.4211 -6.4080 -6.4078 -6.4018 -6.4018 -6.3653 -6.3653 -5.0577 -5.0576 -2.7367 -2.7359 0.9253 0.9261 6.6251 6.6306 6.7085 6.7094 7.8901 7.8975 8.0272 8.0381 8.0901 8.0912 9.6102 9.6136 10.5419 10.5423 11.6010 11.6098 11.7308 11.7316 k = 0.0060 0.0103-0.0000 ( 2539 PWs) bands (ev): -6.9319 -6.9279 -6.8917 -6.8917 -6.8898 -6.8893 -6.8806 -6.8806 -6.4935 -6.4873 -6.4758 -6.4754 -6.4234 -6.4219 -6.4080 -6.4079 -6.4017 -6.4017 -6.3652 -6.3652 -5.0618 -5.0618 -2.7398 -2.7394 0.9230 0.9233 6.6539 6.6563 6.7275 6.7276 7.8993 7.9022 8.0564 8.0608 8.1038 8.1040 9.5774 9.5792 10.5182 10.5184 11.6018 11.6059 11.7293 11.7294 k = 0.0000 0.0000 0.0000 ( 2539 PWs) bands (ev): -6.9299 -6.9299 -6.8917 -6.8917 -6.8896 -6.8896 -6.8807 -6.8807 -6.4904 -6.4904 -6.4756 -6.4756 -6.4227 -6.4227 -6.4080 -6.4080 -6.4017 -6.4017 -6.3652 -6.3652 -5.0632 -5.0632 -2.7407 -2.7407 0.9223 0.9223 6.6631 6.6631 6.7351 6.7351 7.9030 7.9030 8.0657 8.0657 8.1103 8.1103 9.5669 9.5669 10.5101 10.5101 11.6031 11.6031 11.7290 11.7290 k = 0.0000 0.0000 0.0000 ( 2539 PWs) bands (ev): -6.9299 -6.9299 -6.8917 -6.8917 -6.8896 -6.8896 -6.8807 -6.8807 -6.4904 -6.4904 -6.4756 -6.4756 -6.4227 -6.4227 -6.4080 -6.4080 -6.4017 -6.4017 -6.3652 -6.3652 -5.0632 -5.0632 -2.7407 -2.7407 0.9223 0.9223 6.6631 6.6631 6.7351 6.7351 7.9030 7.9030 8.0657 8.0657 8.1103 8.1103 9.5669 9.5669 10.5101 10.5101 11.6031 11.6031 11.7290 11.7290 k = 0.0000 0.0000 0.0117 ( 2539 PWs) bands (ev): -6.9298 -6.9298 -6.8917 -6.8917 -6.8896 -6.8896 -6.8807 -6.8807 -6.4904 -6.4904 -6.4756 -6.4756 -6.4226 -6.4226 -6.4080 -6.4080 -6.4016 -6.4016 -6.3652 -6.3652 -5.0618 -5.0618 -2.7451 -2.7451 0.9290 0.9290 6.6641 6.6641 6.7361 6.7361 7.8884 7.8884 8.0629 8.0629 8.1086 8.1086 9.5681 9.5681 10.5235 10.5235 11.6045 11.6045 11.7304 11.7304 k = 0.0000 0.0000 0.0235 ( 2539 PWs) bands (ev): -6.9297 -6.9297 -6.8916 -6.8916 -6.8897 -6.8897 -6.8807 -6.8807 -6.4905 -6.4905 -6.4757 -6.4757 -6.4226 -6.4226 -6.4081 -6.4081 -6.4015 -6.4015 -6.3653 -6.3653 -5.0578 -5.0578 -2.7581 -2.7581 0.9490 0.9490 6.6670 6.6670 6.7390 6.7390 7.8451 7.8451 8.0555 8.0555 8.1035 8.1035 9.5719 9.5719 10.5624 10.5624 11.6086 11.6086 11.7343 11.7343 k = 0.0000 0.0000 0.0352 ( 2539 PWs) bands (ev): -6.9295 -6.9295 -6.8916 -6.8916 -6.8899 -6.8899 -6.8808 -6.8808 -6.4905 -6.4905 -6.4759 -6.4759 -6.4225 -6.4225 -6.4082 -6.4082 -6.4014 -6.4014 -6.3655 -6.3655 -5.0511 -5.0511 -2.7794 -2.7794 0.9821 0.9821 6.6719 6.6719 6.7439 6.7439 7.7744 7.7744 8.0446 8.0446 8.0950 8.0950 9.5782 9.5782 10.6235 10.6235 11.6153 11.6153 11.7409 11.7409 k = 0.0000 0.0000 0.0469 ( 2539 PWs) bands (ev): -6.9292 -6.9292 -6.8915 -6.8915 -6.8901 -6.8901 -6.8808 -6.8808 -6.4906 -6.4906 -6.4762 -6.4762 -6.4224 -6.4224 -6.4083 -6.4083 -6.4011 -6.4011 -6.3657 -6.3657 -5.0418 -5.0418 -2.8086 -2.8086 1.0276 1.0276 6.6787 6.6787 6.7507 6.7507 7.6799 7.6799 8.0309 8.0309 8.0833 8.0833 9.5869 9.5869 10.7020 10.7020 11.6248 11.6248 11.7500 11.7500 k = 0.0000 0.0000 0.0586 ( 2545 PWs) bands (ev): -6.9289 -6.9289 -6.8915 -6.8915 -6.8904 -6.8904 -6.8810 -6.8810 -6.4907 -6.4907 -6.4765 -6.4765 -6.4222 -6.4222 -6.4085 -6.4085 -6.4008 -6.4008 -6.3660 -6.3660 -5.0298 -5.0298 -2.8451 -2.8451 1.0852 1.0852 6.6875 6.6875 6.7594 6.7594 7.5654 7.5654 8.0144 8.0144 8.0684 8.0684 9.5982 9.5982 10.7922 10.7922 11.6369 11.6369 11.7617 11.7617 k = 0.0000 0.0000 0.0704 ( 2545 PWs) bands (ev): -6.9285 -6.9285 -6.8914 -6.8914 -6.8907 -6.8907 -6.8811 -6.8811 -6.4908 -6.4908 -6.4769 -6.4769 -6.4220 -6.4220 -6.4087 -6.4087 -6.4005 -6.4005 -6.3664 -6.3664 -5.0152 -5.0152 -2.8882 -2.8882 1.1539 1.1539 6.6982 6.6982 6.7701 6.7701 7.4348 7.4348 7.9952 7.9952 8.0504 8.0504 9.6120 9.6120 10.8876 10.8876 11.6519 11.6519 11.7760 11.7760 k = 0.0000 0.0000 0.0821 ( 2539 PWs) bands (ev): -6.9279 -6.9279 -6.8912 -6.8912 -6.8911 -6.8911 -6.8812 -6.8812 -6.4909 -6.4909 -6.4773 -6.4773 -6.4218 -6.4218 -6.4089 -6.4089 -6.4000 -6.4000 -6.3668 -6.3668 -4.9979 -4.9979 -2.9371 -2.9371 1.2331 1.2331 6.7108 6.7108 6.7827 6.7827 7.2916 7.2916 7.9733 7.9733 8.0295 8.0295 9.6283 9.6283 10.9811 10.9811 11.6698 11.6698 11.7928 11.7928 k = 0.0000 0.0000 0.0938 ( 2533 PWs) bands (ev): -6.9273 -6.9273 -6.8916 -6.8916 -6.8911 -6.8911 -6.8814 -6.8814 -6.4910 -6.4910 -6.4779 -6.4779 -6.4215 -6.4215 -6.4092 -6.4092 -6.3994 -6.3994 -6.3672 -6.3672 -4.9780 -4.9780 -2.9910 -2.9910 1.3220 1.3220 6.7253 6.7253 6.7971 6.7971 7.1382 7.1382 7.9487 7.9487 8.0059 8.0059 9.6470 9.6470 11.0648 11.0648 11.6911 11.6911 11.8120 11.8120 k = 0.0000 0.0000 0.1056 ( 2527 PWs) bands (ev): -6.9266 -6.9266 -6.8921 -6.8921 -6.8909 -6.8909 -6.8815 -6.8815 -6.4911 -6.4911 -6.4784 -6.4784 -6.4212 -6.4212 -6.4094 -6.4094 -6.3989 -6.3989 -6.3678 -6.3678 -4.9555 -4.9555 -3.0493 -3.0493 1.4198 1.4198 6.7416 6.7416 6.8134 6.8134 6.9771 6.9771 7.9216 7.9216 7.9797 7.9797 9.6685 9.6685 11.1309 11.1309 11.7157 11.7157 11.8337 11.8337 k = 0.0000 0.0000 0.1173 ( 2527 PWs) bands (ev): -6.9258 -6.9258 -6.8927 -6.8927 -6.8908 -6.8908 -6.8817 -6.8817 -6.4912 -6.4912 -6.4790 -6.4790 -6.4209 -6.4209 -6.4097 -6.4097 -6.3983 -6.3983 -6.3684 -6.3684 -4.9305 -4.9305 -3.1112 -3.1112 1.5258 1.5258 6.7598 6.7598 6.8099 6.8099 6.8315 6.8315 7.8922 7.8922 7.9510 7.9510 9.6922 9.6922 11.1733 11.1733 11.7435 11.7435 11.8577 11.8577 k = 0.0000 0.0000 0.1290 ( 2527 PWs) bands (ev): -6.9250 -6.9250 -6.8934 -6.8934 -6.8906 -6.8906 -6.8820 -6.8820 -6.4913 -6.4913 -6.4796 -6.4796 -6.4206 -6.4206 -6.4100 -6.4100 -6.3976 -6.3976 -6.3690 -6.3690 -4.9029 -4.9029 -3.1760 -3.1760 1.6393 1.6393 6.6380 6.6380 6.7798 6.7798 6.8513 6.8513 7.8605 7.8605 7.9202 7.9202 9.7184 9.7184 11.1903 11.1903 11.7740 11.7740 11.8840 11.8840 k = 0.0000 0.0000 0.1407 ( 2527 PWs) bands (ev): -6.9242 -6.9242 -6.8941 -6.8941 -6.8904 -6.8904 -6.8822 -6.8822 -6.4914 -6.4914 -6.4803 -6.4803 -6.4203 -6.4203 -6.4103 -6.4103 -6.3969 -6.3969 -6.3697 -6.3697 -4.8728 -4.8728 -3.2432 -3.2432 1.7597 1.7597 6.4623 6.4623 6.8015 6.8015 6.8730 6.8730 7.8270 7.8270 7.8874 7.8874 9.7471 9.7471 11.1843 11.1843 11.8062 11.8062 11.9126 11.9126 k = 0.0000 0.0000 0.1525 ( 2503 PWs) bands (ev): -6.9231 -6.9231 -6.8947 -6.8947 -6.8902 -6.8902 -6.8824 -6.8824 -6.4914 -6.4914 -6.4809 -6.4809 -6.4199 -6.4199 -6.4106 -6.4106 -6.3960 -6.3960 -6.3703 -6.3703 -4.8403 -4.8403 -3.3122 -3.3122 1.8864 1.8864 6.2839 6.2839 6.8250 6.8250 6.8963 6.8963 7.7916 7.7916 7.8528 7.8528 9.7783 9.7783 11.1601 11.1601 11.8401 11.8401 11.9435 11.9435 k = 0.0000 0.0000 0.1642 ( 2521 PWs) bands (ev): -6.9222 -6.9222 -6.8955 -6.8955 -6.8900 -6.8900 -6.8828 -6.8828 -6.4916 -6.4916 -6.4817 -6.4817 -6.4196 -6.4196 -6.4110 -6.4110 -6.3952 -6.3952 -6.3713 -6.3713 -4.8052 -4.8052 -3.3825 -3.3825 2.0188 2.0188 6.1033 6.1033 6.8501 6.8501 6.9214 6.9214 7.7547 7.7547 7.8166 7.8166 9.8118 9.8118 11.1224 11.1224 11.8755 11.8755 11.9764 11.9764 k = 0.0000 0.0000 0.1759 ( 2527 PWs) bands (ev): -6.9213 -6.9213 -6.8964 -6.8964 -6.8898 -6.8898 -6.8830 -6.8830 -6.4916 -6.4916 -6.4824 -6.4824 -6.4192 -6.4192 -6.4113 -6.4113 -6.3944 -6.3944 -6.3721 -6.3721 -4.7678 -4.7678 -3.4536 -3.4536 2.1566 2.1566 5.9211 5.9211 6.8769 6.8769 6.9480 6.9480 7.7164 7.7164 7.7791 7.7791 9.8476 9.8476 11.0750 11.0750 11.9127 11.9127 12.0115 12.0115 k = 0.0000 0.0000 0.1877 ( 2533 PWs) bands (ev): -6.9202 -6.9202 -6.8973 -6.8973 -6.8895 -6.8895 -6.8833 -6.8833 -6.4917 -6.4917 -6.4832 -6.4832 -6.4189 -6.4189 -6.4117 -6.4117 -6.3935 -6.3935 -6.3730 -6.3730 -4.7279 -4.7279 -3.5252 -3.5252 2.2992 2.2992 5.7380 5.7380 6.9052 6.9052 6.9762 6.9762 7.6771 7.6771 7.7403 7.7403 9.8859 9.8859 11.0209 11.0209 11.9516 11.9516 12.0486 12.0486 k = 0.0000 0.0000 0.1994 ( 2532 PWs) bands (ev): -6.9191 -6.9191 -6.8982 -6.8982 -6.8893 -6.8893 -6.8836 -6.8836 -6.4916 -6.4916 -6.4839 -6.4839 -6.4185 -6.4185 -6.4120 -6.4120 -6.3925 -6.3925 -6.3739 -6.3739 -4.6857 -4.6857 -3.5970 -3.5970 2.4463 2.4463 5.5542 5.5542 6.9351 6.9351 7.0059 7.0059 7.6367 7.6367 7.7006 7.7006 9.9266 9.9266 10.9623 10.9623 11.9924 11.9924 12.0878 12.0878 k = 0.0000 0.0000 0.2111 ( 2520 PWs) bands (ev): -6.9180 -6.9180 -6.8992 -6.8992 -6.8890 -6.8890 -6.8839 -6.8839 -6.4915 -6.4915 -6.4846 -6.4846 -6.4181 -6.4181 -6.4123 -6.4123 -6.3916 -6.3916 -6.3748 -6.3748 -4.6412 -4.6412 -3.6685 -3.6685 2.5975 2.5975 5.3702 5.3702 6.9665 6.9665 7.0371 7.0371 7.5956 7.5956 7.6602 7.6602 9.9696 9.9696 10.9005 10.9005 12.0352 12.0352 12.1290 12.1290 k = 0.0000 0.0000 0.2228 ( 2508 PWs) bands (ev): -6.9168 -6.9168 -6.9002 -6.9002 -6.8886 -6.8886 -6.8842 -6.8842 -6.4914 -6.4914 -6.4853 -6.4853 -6.4177 -6.4177 -6.4127 -6.4127 -6.3905 -6.3905 -6.3757 -6.3757 -4.5945 -4.5945 -3.7396 -3.7396 2.7525 2.7525 5.1863 5.1863 6.9993 6.9993 7.0697 7.0697 7.5541 7.5541 7.6192 7.6192 10.0149 10.0149 10.8369 10.8369 12.0797 12.0797 12.1721 12.1721 k = 0.0000 0.0000 0.2346 ( 2508 PWs) bands (ev): -6.9156 -6.9156 -6.9013 -6.9013 -6.8883 -6.8883 -6.8845 -6.8845 -6.4912 -6.4912 -6.4859 -6.4859 -6.4173 -6.4173 -6.4130 -6.4130 -6.3895 -6.3895 -6.3767 -6.3767 -4.5455 -4.5455 -3.8101 -3.8101 2.9110 2.9110 5.0027 5.0027 7.0334 7.0334 7.1036 7.1036 7.5120 7.5120 7.5777 7.5777 10.0625 10.0625 10.7722 10.7722 12.1258 12.1258 12.2169 12.2169 k = 0.0000 0.0000 0.2463 ( 2502 PWs) bands (ev): -6.9143 -6.9143 -6.9024 -6.9024 -6.8880 -6.8880 -6.8848 -6.8848 -6.4910 -6.4910 -6.4866 -6.4866 -6.4169 -6.4169 -6.4133 -6.4133 -6.3885 -6.3885 -6.3777 -6.3777 -4.4943 -4.4943 -3.8796 -3.8796 3.0728 3.0728 4.8197 4.8197 7.0687 7.0687 7.1387 7.1387 7.4698 7.4698 7.5361 7.5361 10.1122 10.1122 10.7071 10.7071 12.1737 12.1737 12.2635 12.2635 k = 0.0000 0.0000 0.2580 ( 2496 PWs) bands (ev): -6.9131 -6.9131 -6.9034 -6.9034 -6.8877 -6.8877 -6.8851 -6.8851 -6.4908 -6.4908 -6.4872 -6.4872 -6.4165 -6.4165 -6.4137 -6.4137 -6.3874 -6.3874 -6.3787 -6.3787 -4.4411 -4.4411 -3.9481 -3.9481 3.2376 3.2376 4.6376 4.6376 7.1052 7.1052 7.1750 7.1750 7.4276 7.4276 7.4943 7.4943 10.1641 10.1641 10.6422 10.6422 12.2231 12.2231 12.3118 12.3118 k = 0.0000 0.0000 0.2698 ( 2484 PWs) bands (ev): -6.9119 -6.9119 -6.9046 -6.9046 -6.8874 -6.8874 -6.8854 -6.8854 -6.4905 -6.4905 -6.4878 -6.4878 -6.4161 -6.4161 -6.4140 -6.4140 -6.3863 -6.3863 -6.3797 -6.3797 -4.3858 -4.3858 -4.0153 -4.0153 3.4052 3.4052 4.4566 4.4566 7.1429 7.1429 7.2123 7.2123 7.3855 7.3855 7.4527 7.4527 10.2180 10.2180 10.5778 10.5778 12.2741 12.2741 12.3617 12.3617 k = 0.0000 0.0000 0.2815 ( 2484 PWs) bands (ev): -6.9106 -6.9106 -6.9058 -6.9058 -6.8870 -6.8870 -6.8857 -6.8857 -6.4901 -6.4901 -6.4883 -6.4883 -6.4158 -6.4158 -6.4143 -6.4143 -6.3852 -6.3852 -6.3808 -6.3808 -4.3285 -4.3285 -4.0812 -4.0812 3.5753 3.5753 4.2769 4.2769 7.1815 7.1815 7.2506 7.2506 7.3436 7.3436 7.4113 7.4113 10.2738 10.2738 10.5143 10.5143 12.3265 12.3265 12.4130 12.4130 k = 0.0000 0.0000 0.2932 ( 2484 PWs) bands (ev): -6.9094 -6.9094 -6.9070 -6.9070 -6.8867 -6.8867 -6.8860 -6.8860 -6.4897 -6.4897 -6.4888 -6.4888 -6.4154 -6.4154 -6.4147 -6.4147 -6.3841 -6.3841 -6.3819 -6.3819 -4.2693 -4.2693 -4.1456 -4.1456 3.7477 3.7477 4.0987 4.0987 7.2209 7.2209 7.2898 7.2898 7.3021 7.3021 7.3702 7.3702 10.3315 10.3315 10.4519 10.4519 12.3802 12.3802 12.4658 12.4658 k = 0.0000 0.0000 0.3049 ( 2484 PWs) bands (ev): -6.9082 -6.9082 -6.9082 -6.9082 -6.8864 -6.8864 -6.8864 -6.8864 -6.4893 -6.4893 -6.4893 -6.4893 -6.4150 -6.4150 -6.4150 -6.4150 -6.3830 -6.3830 -6.3830 -6.3830 -4.2083 -4.2083 -4.2083 -4.2083 3.9223 3.9223 3.9223 3.9223 7.2612 7.2612 7.2612 7.2612 7.3297 7.3297 7.3297 7.3297 10.3910 10.3910 10.3910 10.3910 12.4352 12.4352 12.4352 12.4352 k = 0.0000 0.0000 0.3049 ( 2484 PWs) bands (ev): -6.9082 -6.9082 -6.9082 -6.9082 -6.8864 -6.8864 -6.8864 -6.8864 -6.4893 -6.4893 -6.4893 -6.4893 -6.4150 -6.4150 -6.4150 -6.4150 -6.3830 -6.3830 -6.3830 -6.3830 -4.2083 -4.2083 -4.2083 -4.2083 3.9223 3.9223 3.9223 3.9223 7.2612 7.2612 7.2612 7.2612 7.3297 7.3297 7.3297 7.3297 10.3910 10.3910 10.3910 10.3910 12.4352 12.4352 12.4352 12.4352 k = 0.0102 0.0059 0.3049 ( 2484 PWs) bands (ev): -6.9093 -6.9093 -6.9071 -6.9071 -6.8863 -6.8863 -6.8863 -6.8863 -6.4909 -6.4909 -6.4878 -6.4878 -6.4151 -6.4151 -6.4149 -6.4149 -6.3830 -6.3830 -6.3830 -6.3830 -4.2073 -4.2073 -4.2068 -4.2068 3.9219 3.9219 3.9225 3.9225 7.2532 7.2532 7.2562 7.2562 7.3234 7.3234 7.3236 7.3236 10.4000 10.4000 10.4011 10.4011 12.4345 12.4345 12.4364 12.4364 k = 0.0204 0.0118 0.3049 ( 2492 PWs) bands (ev): -6.9107 -6.9107 -6.9063 -6.9063 -6.8861 -6.8861 -6.8861 -6.8861 -6.4924 -6.4924 -6.4864 -6.4864 -6.4152 -6.4152 -6.4147 -6.4147 -6.3831 -6.3831 -6.3831 -6.3831 -4.2039 -4.2039 -4.2029 -4.2029 3.9214 3.9214 3.9225 3.9225 7.2298 7.2298 7.2364 7.2364 7.3071 7.3071 7.3082 7.3082 10.4278 10.4278 10.4299 10.4299 12.4319 12.4319 12.4362 12.4362 k = 0.0306 0.0177 0.3049 ( 2492 PWs) bands (ev): -6.9120 -6.9120 -6.9056 -6.9056 -6.8858 -6.8858 -6.8856 -6.8856 -6.4940 -6.4940 -6.4850 -6.4850 -6.4152 -6.4152 -6.4145 -6.4145 -6.3831 -6.3831 -6.3831 -6.3831 -4.1980 -4.1980 -4.1965 -4.1965 3.9207 3.9207 3.9223 3.9223 7.1869 7.1869 7.1972 7.1972 7.2868 7.2868 7.2889 7.2889 10.4727 10.4727 10.4755 10.4755 12.4234 12.4234 12.4303 12.4303 k = 0.0408 0.0236 0.3049 ( 2500 PWs) bands (ev): -6.9135 -6.9135 -6.9051 -6.9051 -6.8854 -6.8854 -6.8851 -6.8851 -6.4957 -6.4957 -6.4836 -6.4836 -6.4152 -6.4152 -6.4143 -6.4143 -6.3832 -6.3832 -6.3832 -6.3832 -4.1896 -4.1896 -4.1876 -4.1876 3.9196 3.9196 3.9218 3.9218 7.1248 7.1248 7.1379 7.1379 7.2653 7.2653 7.2679 7.2679 10.5322 10.5322 10.5354 10.5354 12.4072 12.4072 12.4166 12.4166 k = 0.0510 0.0295 0.3049 ( 2512 PWs) bands (ev): -6.9150 -6.9150 -6.9048 -6.9048 -6.8850 -6.8850 -6.8843 -6.8843 -6.4973 -6.4973 -6.4824 -6.4824 -6.4152 -6.4152 -6.4141 -6.4141 -6.3834 -6.3834 -6.3832 -6.3832 -4.1788 -4.1788 -4.1764 -4.1764 3.9181 3.9181 3.9208 3.9208 7.0464 7.0464 7.0617 7.0617 7.2419 7.2419 7.2447 7.2447 10.6031 10.6031 10.6061 10.6061 12.3852 12.3852 12.3969 12.3969 k = 0.0612 0.0353 0.3049 ( 2510 PWs) bands (ev): -6.9166 -6.9166 -6.9047 -6.9047 -6.8844 -6.8844 -6.8834 -6.8834 -6.4988 -6.4988 -6.4812 -6.4812 -6.4151 -6.4151 -6.4138 -6.4138 -6.3835 -6.3835 -6.3833 -6.3833 -4.1655 -4.1655 -4.1627 -4.1627 3.9158 3.9158 3.9191 3.9191 6.9553 6.9553 6.9725 6.9725 7.2158 7.2158 7.2185 7.2185 10.6816 10.6816 10.6841 10.6841 12.3609 12.3609 12.3751 12.3751 k = 0.0714 0.0412 0.3049 ( 2514 PWs) bands (ev): -6.9181 -6.9181 -6.9047 -6.9047 -6.8838 -6.8838 -6.8824 -6.8824 -6.5004 -6.5004 -6.4800 -6.4800 -6.4149 -6.4149 -6.4136 -6.4136 -6.3836 -6.3836 -6.3833 -6.3833 -4.1499 -4.1499 -4.1466 -4.1466 3.9126 3.9126 3.9165 3.9165 6.8544 6.8544 6.8733 6.8733 7.1865 7.1865 7.1892 7.1892 10.7635 10.7635 10.7649 10.7649 12.3376 12.3376 12.3544 12.3544 k = 0.0816 0.0471 0.3049 ( 2518 PWs) bands (ev): -6.9197 -6.9197 -6.9049 -6.9049 -6.8832 -6.8832 -6.8813 -6.8813 -6.5019 -6.5019 -6.4790 -6.4790 -6.4147 -6.4147 -6.4133 -6.4133 -6.3838 -6.3838 -6.3834 -6.3834 -4.1317 -4.1317 -4.1281 -4.1281 3.9081 3.9081 3.9126 3.9126 6.7463 6.7463 6.7667 6.7667 7.1540 7.1540 7.1567 7.1567 10.8441 10.8441 10.8444 10.8444 12.3190 12.3190 12.3389 12.3389 k = 0.0918 0.0530 0.3049 ( 2522 PWs) bands (ev): -6.9212 -6.9212 -6.9051 -6.9051 -6.8825 -6.8825 -6.8801 -6.8801 -6.5034 -6.5034 -6.4780 -6.4780 -6.4145 -6.4145 -6.4130 -6.4130 -6.3840 -6.3840 -6.3834 -6.3834 -4.1112 -4.1112 -4.1072 -4.1072 3.9019 3.9019 3.9071 3.9071 6.6333 6.6333 6.6550 6.6550 7.1186 7.1186 7.1213 7.1213 10.9168 10.9168 10.9191 10.9191 12.3093 12.3093 12.3323 12.3323 k = 0.1020 0.0589 0.3049 ( 2522 PWs) bands (ev): -6.9227 -6.9227 -6.9055 -6.9055 -6.8818 -6.8818 -6.8789 -6.8789 -6.5048 -6.5048 -6.4771 -6.4771 -6.4142 -6.4142 -6.4127 -6.4127 -6.3842 -6.3842 -6.3834 -6.3834 -4.0883 -4.0883 -4.0840 -4.0840 3.8936 3.8936 3.8994 3.8994 6.5173 6.5173 6.5403 6.5403 7.0806 7.0806 7.0832 7.0832 10.9781 10.9781 10.9827 10.9827 12.3124 12.3124 12.3387 12.3387 k = 0.1122 0.0648 0.3049 ( 2526 PWs) bands (ev): -6.9242 -6.9242 -6.9059 -6.9059 -6.8811 -6.8811 -6.8777 -6.8777 -6.5062 -6.5062 -6.4763 -6.4763 -6.4139 -6.4139 -6.4124 -6.4124 -6.3845 -6.3845 -6.3833 -6.3833 -4.0630 -4.0630 -4.0584 -4.0584 3.8825 3.8825 3.8890 3.8890 6.4003 6.4003 6.4244 6.4244 7.0400 7.0400 7.0427 7.0427 11.0240 11.0240 11.0307 11.0307 12.3317 12.3317 12.3610 12.3610 k = 0.1224 0.0707 0.3049 ( 2522 PWs) bands (ev): -6.9257 -6.9257 -6.9063 -6.9063 -6.8803 -6.8803 -6.8765 -6.8765 -6.5074 -6.5074 -6.4756 -6.4756 -6.4136 -6.4136 -6.4121 -6.4121 -6.3847 -6.3847 -6.3832 -6.3832 -4.0354 -4.0354 -4.0306 -4.0306 3.8681 3.8681 3.8752 3.8752 6.2841 6.2841 6.3092 6.3092 6.9974 6.9974 7.0001 7.0001 11.0517 11.0517 11.0602 11.0602 12.3689 12.3689 12.4008 12.4008 k = 0.1327 0.0766 0.3049 ( 2518 PWs) bands (ev): -6.9271 -6.9271 -6.9069 -6.9069 -6.8795 -6.8795 -6.8753 -6.8753 -6.5085 -6.5085 -6.4749 -6.4749 -6.4132 -6.4132 -6.4119 -6.4119 -6.3849 -6.3849 -6.3831 -6.3831 -4.0054 -4.0054 -4.0004 -4.0004 3.8495 3.8495 3.8572 3.8572 6.1702 6.1702 6.1962 6.1962 6.9529 6.9529 6.9557 6.9557 11.0607 11.0607 11.0705 11.0705 12.4231 12.4231 12.4569 12.4569 k = 0.1429 0.0825 0.3049 ( 2520 PWs) bands (ev): -6.9285 -6.9285 -6.9075 -6.9075 -6.8788 -6.8788 -6.8742 -6.8742 -6.5096 -6.5096 -6.4744 -6.4744 -6.4128 -6.4128 -6.4117 -6.4117 -6.3851 -6.3851 -6.3829 -6.3829 -3.9732 -3.9732 -3.9680 -3.9680 3.8260 3.8260 3.8343 3.8343 6.0602 6.0602 6.0870 6.0870 6.9069 6.9069 6.9097 6.9097 11.0525 11.0525 11.0629 11.0629 12.4909 12.4909 12.5257 12.5257 k = 0.1531 0.0884 0.3049 ( 2524 PWs) bands (ev): -6.9298 -6.9298 -6.9081 -6.9081 -6.8780 -6.8780 -6.8731 -6.8731 -6.5106 -6.5106 -6.4739 -6.4739 -6.4124 -6.4124 -6.4115 -6.4115 -6.3853 -6.3853 -6.3827 -6.3827 -3.9387 -3.9387 -3.9334 -3.9334 3.7967 3.7967 3.8055 3.8055 5.9556 5.9556 5.9831 5.9831 6.8597 6.8597 6.8625 6.8625 11.0298 11.0298 11.0404 11.0404 12.5668 12.5668 12.6018 12.6018 k = 0.1633 0.0943 0.3049 ( 2522 PWs) bands (ev): -6.9311 -6.9311 -6.9087 -6.9087 -6.8773 -6.8773 -6.8721 -6.8720 -6.5114 -6.5114 -6.4735 -6.4735 -6.4120 -6.4120 -6.4113 -6.4113 -6.3855 -6.3855 -6.3825 -6.3825 -3.9020 -3.9020 -3.8966 -3.8966 3.7608 3.7608 3.7699 3.7699 5.8580 5.8580 5.8859 5.8859 6.8116 6.8116 6.8144 6.8144 10.9957 10.9957 11.0061 11.0062 12.6438 12.6438 12.6784 12.6784 k = 0.1735 0.1002 0.3049 ( 2518 PWs) bands (ev): -6.9323 -6.9323 -6.9094 -6.9094 -6.8765 -6.8765 -6.8711 -6.8711 -6.5122 -6.5122 -6.4731 -6.4731 -6.4116 -6.4116 -6.4112 -6.4112 -6.3856 -6.3856 -6.3821 -6.3821 -3.8631 -3.8631 -3.8577 -3.8577 3.7173 3.7173 3.7266 3.7266 5.7684 5.7684 5.7967 5.7967 6.7628 6.7628 6.7656 6.7656 10.9531 10.9531 10.9631 10.9631 12.7148 12.7148 12.7483 12.7483 k = 0.1837 0.1060 0.3049 ( 2520 PWs) bands (ev): -6.9336 -6.9336 -6.9102 -6.9102 -6.8758 -6.8758 -6.8702 -6.8702 -6.5128 -6.5128 -6.4729 -6.4729 -6.4112 -6.4112 -6.4111 -6.4111 -6.3857 -6.3857 -6.3818 -6.3818 -3.8221 -3.8221 -3.8167 -3.8167 3.6657 3.6657 3.6751 3.6751 5.6881 5.6881 5.7164 5.7164 6.7136 6.7136 6.7163 6.7163 10.9044 10.9044 10.9139 10.9139 12.7722 12.7722 12.8039 12.8039 k = 0.1939 0.1119 0.3049 ( 2524 PWs) bands (ev): -6.9347 -6.9347 -6.9110 -6.9110 -6.8751 -6.8751 -6.8694 -6.8694 -6.5133 -6.5133 -6.4727 -6.4727 -6.4110 -6.4110 -6.4108 -6.4108 -6.3858 -6.3858 -6.3813 -6.3813 -3.7790 -3.7790 -3.7736 -3.7736 3.6055 3.6055 3.6147 3.6147 5.6177 5.6177 5.6459 5.6459 6.6641 6.6641 6.6669 6.6669 10.8514 10.8514 10.8603 10.8603 12.8098 12.8098 12.8392 12.8392 k = 0.2041 0.1178 0.3049 ( 2528 PWs) bands (ev): -6.9358 -6.9358 -6.9118 -6.9118 -6.8744 -6.8744 -6.8686 -6.8686 -6.5137 -6.5137 -6.4726 -6.4726 -6.4110 -6.4110 -6.4105 -6.4105 -6.3859 -6.3859 -6.3809 -6.3809 -3.7339 -3.7339 -3.7286 -3.7286 3.5365 3.5365 3.5453 3.5453 5.5578 5.5578 5.5856 5.5856 6.6148 6.6148 6.6175 6.6175 10.7958 10.7958 10.8041 10.8041 12.8237 12.8237 12.8505 12.8505 k = 0.2143 0.1237 0.3049 ( 2528 PWs) bands (ev): -6.9369 -6.9369 -6.9126 -6.9126 -6.8737 -6.8737 -6.8679 -6.8679 -6.5139 -6.5139 -6.4725 -6.4725 -6.4110 -6.4110 -6.4102 -6.4102 -6.3858 -6.3858 -6.3804 -6.3804 -3.6868 -3.6868 -3.6816 -3.6816 3.4589 3.4589 3.4672 3.4672 5.5083 5.5083 5.5356 5.5356 6.5656 6.5656 6.5684 6.5684 10.7385 10.7385 10.7463 10.7463 12.8134 12.8134 12.8375 12.8375 k = 0.2245 0.1296 0.3049 ( 2528 PWs) bands (ev): -6.9378 -6.9378 -6.9135 -6.9135 -6.8730 -6.8730 -6.8673 -6.8673 -6.5140 -6.5140 -6.4726 -6.4726 -6.4111 -6.4111 -6.4099 -6.4099 -6.3857 -6.3857 -6.3798 -6.3798 -3.6378 -3.6378 -3.6328 -3.6328 3.3731 3.3731 3.3808 3.3808 5.4690 5.4690 5.4956 5.4956 6.5169 6.5169 6.5196 6.5196 10.6805 10.6805 10.6878 10.6878 12.7810 12.7810 12.8027 12.8027 k = 0.2347 0.1355 0.3049 ( 2526 PWs) bands (ev): -6.9388 -6.9388 -6.9144 -6.9144 -6.8723 -6.8723 -6.8667 -6.8667 -6.5140 -6.5140 -6.4726 -6.4726 -6.4111 -6.4111 -6.4096 -6.4096 -6.3855 -6.3855 -6.3793 -6.3793 -3.5871 -3.5871 -3.5821 -3.5821 3.2798 3.2798 3.2868 3.2868 5.4394 5.4394 5.4651 5.4651 6.4688 6.4688 6.4715 6.4715 10.6226 10.6226 10.6293 10.6293 12.7304 12.7304 12.7500 12.7500 k = 0.2449 0.1414 0.3049 ( 2522 PWs) bands (ev): -6.9396 -6.9396 -6.9154 -6.9154 -6.8717 -6.8717 -6.8662 -6.8662 -6.5139 -6.5139 -6.4728 -6.4728 -6.4112 -6.4112 -6.4094 -6.4094 -6.3853 -6.3853 -6.3786 -6.3786 -3.5346 -3.5346 -3.5298 -3.5298 3.1800 3.1800 3.1862 3.1862 5.4186 5.4186 5.4433 5.4433 6.4214 6.4214 6.4241 6.4241 10.5651 10.5651 10.5714 10.5714 12.6658 12.6658 12.6836 12.6836 k = 0.2551 0.1473 0.3049 ( 2522 PWs) bands (ev): -6.9405 -6.9405 -6.9163 -6.9163 -6.8711 -6.8711 -6.8658 -6.8658 -6.5137 -6.5137 -6.4730 -6.4730 -6.4113 -6.4113 -6.4093 -6.4093 -6.3849 -6.3849 -6.3780 -6.3780 -3.4805 -3.4805 -3.4759 -3.4759 3.0747 3.0747 3.0800 3.0800 5.4057 5.4057 5.4294 5.4294 6.3750 6.3750 6.3777 6.3777 10.5087 10.5087 10.5145 10.5145 12.5908 12.5908 12.6072 12.6072 k = 0.2653 0.1532 0.3049 ( 2514 PWs) bands (ev): -6.9412 -6.9412 -6.9173 -6.9173 -6.8705 -6.8705 -6.8654 -6.8654 -6.5133 -6.5133 -6.4732 -6.4732 -6.4114 -6.4114 -6.4091 -6.4091 -6.3845 -6.3845 -6.3773 -6.3773 -3.4249 -3.4249 -3.4205 -3.4205 2.9648 2.9648 2.9692 2.9692 5.3998 5.3998 5.4224 5.4224 6.3296 6.3296 6.3323 6.3323 10.4535 10.4535 10.4589 10.4589 12.5083 12.5083 12.5235 12.5235 k = 0.2755 0.1591 0.3049 ( 2518 PWs) bands (ev): -6.9419 -6.9419 -6.9184 -6.9184 -6.8700 -6.8700 -6.8651 -6.8651 -6.5129 -6.5129 -6.4736 -6.4736 -6.4116 -6.4116 -6.4091 -6.4091 -6.3841 -6.3841 -6.3767 -6.3767 -3.3678 -3.3678 -3.3637 -3.3637 2.8514 2.8514 2.8551 2.8551 5.4000 5.4000 5.4215 5.4215 6.2854 6.2854 6.2880 6.2880 10.3999 10.3999 10.4049 10.4049 12.4208 12.4208 12.4350 12.4350 k = 0.2857 0.1650 0.3049 ( 2518 PWs) bands (ev): -6.9426 -6.9426 -6.9195 -6.9195 -6.8694 -6.8694 -6.8648 -6.8648 -6.5124 -6.5124 -6.4739 -6.4739 -6.4117 -6.4117 -6.4090 -6.4090 -6.3836 -6.3836 -6.3761 -6.3761 -3.3096 -3.3096 -3.3057 -3.3057 2.7354 2.7354 2.7384 2.7384 5.4053 5.4053 5.4259 5.4259 6.2425 6.2425 6.2451 6.2451 10.3482 10.3482 10.3528 10.3528 12.3300 12.3300 12.3434 12.3434 k = 0.2959 0.1708 0.3049 ( 2522 PWs) bands (ev): -6.9432 -6.9432 -6.9206 -6.9206 -6.8689 -6.8689 -6.8645 -6.8645 -6.5118 -6.5118 -6.4744 -6.4744 -6.4119 -6.4119 -6.4091 -6.4091 -6.3830 -6.3830 -6.3754 -6.3754 -3.2502 -3.2502 -3.2466 -3.2466 2.6178 2.6178 2.6201 2.6201 5.4150 5.4150 5.4346 5.4346 6.2010 6.2010 6.2035 6.2035 10.2984 10.2984 10.3026 10.3027 12.2373 12.2373 12.2500 12.2500 k = 0.3061 0.1767 0.3049 ( 2520 PWs) bands (ev): -6.9437 -6.9437 -6.9217 -6.9217 -6.8685 -6.8685 -6.8643 -6.8643 -6.5111 -6.5111 -6.4749 -6.4749 -6.4120 -6.4120 -6.4091 -6.4091 -6.3824 -6.3824 -6.3748 -6.3748 -3.1899 -3.1899 -3.1865 -3.1865 2.4995 2.4995 2.5011 2.5011 5.4284 5.4284 5.4470 5.4470 6.1610 6.1610 6.1635 6.1635 10.2508 10.2508 10.2547 10.2547 12.1440 12.1440 12.1560 12.1560 k = 0.3163 0.1826 0.3049 ( 2516 PWs) bands (ev): -6.9441 -6.9441 -6.9228 -6.9228 -6.8680 -6.8680 -6.8642 -6.8642 -6.5103 -6.5103 -6.4754 -6.4754 -6.4121 -6.4121 -6.4092 -6.4092 -6.3817 -6.3817 -6.3741 -6.3741 -3.1289 -3.1289 -3.1257 -3.1257 2.3810 2.3810 2.3821 2.3821 5.4448 5.4448 5.4624 5.4624 6.1226 6.1226 6.1251 6.1251 10.2055 10.2055 10.2091 10.2091 12.0510 12.0510 12.0624 12.0624 k = 0.3265 0.1885 0.3049 ( 2522 PWs) bands (ev): -6.9446 -6.9446 -6.9240 -6.9240 -6.8676 -6.8676 -6.8640 -6.8640 -6.5094 -6.5094 -6.4760 -6.4760 -6.4123 -6.4123 -6.4093 -6.4093 -6.3810 -6.3810 -6.3735 -6.3735 -3.0673 -3.0673 -3.0644 -3.0644 2.2633 2.2633 2.2639 2.2639 5.4635 5.4635 5.4802 5.4802 6.0859 6.0859 6.0883 6.0883 10.1626 10.1626 10.1659 10.1659 11.9590 11.9590 11.9698 11.9698 k = 0.3367 0.1944 0.3049 ( 2526 PWs) bands (ev): -6.9449 -6.9449 -6.9252 -6.9252 -6.8672 -6.8672 -6.8639 -6.8639 -6.5086 -6.5086 -6.4766 -6.4766 -6.4124 -6.4124 -6.4094 -6.4094 -6.3802 -6.3802 -6.3730 -6.3730 -3.0055 -3.0055 -3.0029 -3.0029 2.1469 2.1469 2.1471 2.1471 5.4841 5.4841 5.4999 5.4999 6.0509 6.0509 6.0533 6.0533 10.1221 10.1221 10.1251 10.1251 11.8687 11.8687 11.8790 11.8790 k = 0.3469 0.2003 0.3049 ( 2518 PWs) bands (ev): -6.9452 -6.9452 -6.9263 -6.9263 -6.8668 -6.8668 -6.8638 -6.8638 -6.5076 -6.5076 -6.4772 -6.4772 -6.4125 -6.4125 -6.4096 -6.4096 -6.3795 -6.3795 -6.3724 -6.3724 -2.9437 -2.9437 -2.9413 -2.9413 2.0323 2.0323 2.0325 2.0325 5.5059 5.5059 5.5209 5.5209 6.0178 6.0178 6.0201 6.0201 10.0842 10.0842 10.0869 10.0869 11.7808 11.7808 11.7906 11.7906 k = 0.3571 0.2062 0.3049 ( 2522 PWs) bands (ev): -6.9454 -6.9454 -6.9275 -6.9275 -6.8665 -6.8665 -6.8638 -6.8638 -6.5066 -6.5066 -6.4779 -6.4779 -6.4126 -6.4126 -6.4097 -6.4097 -6.3787 -6.3787 -6.3719 -6.3719 -2.8822 -2.8822 -2.8801 -2.8801 1.9203 1.9203 1.9207 1.9207 5.5287 5.5287 5.5428 5.5428 5.9865 5.9865 5.9888 5.9888 10.0488 10.0488 10.0513 10.0513 11.6958 11.6958 11.7050 11.7050 k = 0.3673 0.2121 0.3049 ( 2520 PWs) bands (ev): -6.9455 -6.9455 -6.9287 -6.9287 -6.8662 -6.8662 -6.8637 -6.8637 -6.5055 -6.5055 -6.4786 -6.4786 -6.4127 -6.4127 -6.4099 -6.4099 -6.3779 -6.3779 -6.3714 -6.3714 -2.8214 -2.8214 -2.8195 -2.8195 1.8115 1.8115 1.8122 1.8122 5.5519 5.5519 5.5651 5.5651 5.9572 5.9572 5.9595 5.9595 10.0161 10.0161 10.0184 10.0184 11.6141 11.6141 11.6228 11.6228 k = 0.3776 0.2180 0.3049 ( 2512 PWs) bands (ev): -6.9456 -6.9456 -6.9298 -6.9298 -6.8659 -6.8659 -6.8636 -6.8636 -6.5044 -6.5044 -6.4794 -6.4794 -6.4127 -6.4127 -6.4100 -6.4100 -6.3771 -6.3771 -6.3710 -6.3710 -2.7616 -2.7616 -2.7600 -2.7600 1.7067 1.7067 1.7076 1.7076 5.5751 5.5751 5.5875 5.5875 5.9300 5.9300 5.9322 5.9322 9.9861 9.9861 9.9881 9.9881 11.5363 11.5363 11.5445 11.5445 k = 0.3878 0.2239 0.3049 ( 2512 PWs) bands (ev): -6.9456 -6.9456 -6.9310 -6.9310 -6.8656 -6.8656 -6.8636 -6.8636 -6.5033 -6.5033 -6.4802 -6.4802 -6.4128 -6.4128 -6.4102 -6.4102 -6.3764 -6.3764 -6.3706 -6.3706 -2.7034 -2.7034 -2.7020 -2.7020 1.6064 1.6064 1.6074 1.6074 5.5979 5.5979 5.6095 5.6095 5.9048 5.9048 5.9070 5.9070 9.9586 9.9586 9.9605 9.9605 11.4628 11.4628 11.4703 11.4703 k = 0.3980 0.2298 0.3049 ( 2510 PWs) bands (ev): -6.9456 -6.9456 -6.9321 -6.9321 -6.8654 -6.8654 -6.8636 -6.8636 -6.5022 -6.5022 -6.4810 -6.4810 -6.4128 -6.4128 -6.4104 -6.4104 -6.3756 -6.3756 -6.3703 -6.3703 -2.6472 -2.6472 -2.6460 -2.6460 1.5114 1.5114 1.5125 1.5125 5.6201 5.6201 5.6308 5.6308 5.8817 5.8817 5.8839 5.8839 9.9338 9.9338 9.9355 9.9355 11.3940 11.3940 11.4009 11.4009 k = 0.4082 0.2357 0.3049 ( 2506 PWs) bands (ev): -6.9455 -6.9455 -6.9332 -6.9332 -6.8651 -6.8651 -6.8636 -6.8636 -6.5011 -6.5011 -6.4819 -6.4819 -6.4128 -6.4128 -6.4106 -6.4106 -6.3749 -6.3749 -6.3700 -6.3700 -2.5935 -2.5935 -2.5925 -2.5925 1.4223 1.4223 1.4234 1.4234 5.6411 5.6411 5.6510 5.6510 5.8608 5.8608 5.8630 5.8630 9.9117 9.9117 9.9131 9.9131 11.3303 11.3303 11.3366 11.3366 k = 0.4184 0.2415 0.3049 ( 2510 PWs) bands (ev): -6.9453 -6.9453 -6.9343 -6.9343 -6.8649 -6.8649 -6.8636 -6.8636 -6.4999 -6.4999 -6.4828 -6.4828 -6.4128 -6.4128 -6.4108 -6.4108 -6.3742 -6.3742 -6.3698 -6.3698 -2.5430 -2.5430 -2.5421 -2.5421 1.3397 1.3397 1.3408 1.3408 5.6608 5.6608 5.6698 5.6698 5.8422 5.8422 5.8443 5.8443 9.8920 9.8920 9.8933 9.8933 11.2720 11.2720 11.2777 11.2777 k = 0.4286 0.2474 0.3049 ( 2506 PWs) bands (ev): -6.9451 -6.9451 -6.9354 -6.9354 -6.8647 -6.8647 -6.8636 -6.8636 -6.4988 -6.4988 -6.4837 -6.4837 -6.4128 -6.4128 -6.4110 -6.4110 -6.3735 -6.3735 -6.3696 -6.3696 -2.4962 -2.4962 -2.4955 -2.4955 1.2645 1.2645 1.2656 1.2656 5.6787 5.6787 5.6868 5.6868 5.8260 5.8260 5.8281 5.8281 9.8749 9.8749 9.8760 9.8760 11.2197 11.2197 11.2247 11.2247 k = 0.4388 0.2533 0.3049 ( 2506 PWs) bands (ev): -6.9448 -6.9448 -6.9364 -6.9364 -6.8646 -6.8646 -6.8636 -6.8636 -6.4976 -6.4976 -6.4846 -6.4846 -6.4128 -6.4128 -6.4112 -6.4112 -6.3729 -6.3729 -6.3695 -6.3695 -2.4538 -2.4538 -2.4533 -2.4533 1.1974 1.1974 1.1984 1.1984 5.6945 5.6945 5.7018 5.7018 5.8121 5.8121 5.8142 5.8142 9.8603 9.8603 9.8612 9.8612 11.1735 11.1735 11.1779 11.1779 k = 0.4490 0.2592 0.3049 ( 2498 PWs) bands (ev): -6.9444 -6.9444 -6.9374 -6.9374 -6.8644 -6.8644 -6.8636 -6.8636 -6.4964 -6.4964 -6.4856 -6.4856 -6.4127 -6.4127 -6.4113 -6.4113 -6.3723 -6.3723 -6.3694 -6.3694 -2.4165 -2.4165 -2.4161 -2.4161 1.1390 1.1390 1.1399 1.1399 5.7079 5.7079 5.7143 5.7143 5.8009 5.8009 5.8029 5.8029 9.8481 9.8481 9.8488 9.8488 11.1339 11.1339 11.1376 11.1376 k = 0.4592 0.2651 0.3049 ( 2500 PWs) bands (ev): -6.9439 -6.9439 -6.9383 -6.9383 -6.8643 -6.8643 -6.8637 -6.8637 -6.4953 -6.4953 -6.4866 -6.4866 -6.4126 -6.4126 -6.4115 -6.4115 -6.3718 -6.3718 -6.3694 -6.3694 -2.3849 -2.3849 -2.3846 -2.3846 1.0901 1.0901 1.0909 1.0909 5.7187 5.7187 5.7240 5.7240 5.7925 5.7925 5.7942 5.7942 9.8382 9.8382 9.8388 9.8388 11.1012 11.1012 11.1041 11.1041 k = 0.4694 0.2710 0.3049 ( 2500 PWs) bands (ev): -6.9434 -6.9434 -6.9392 -6.9392 -6.8642 -6.8642 -6.8637 -6.8637 -6.4941 -6.4941 -6.4876 -6.4876 -6.4125 -6.4125 -6.4117 -6.4117 -6.3713 -6.3713 -6.3695 -6.3695 -2.3596 -2.3596 -2.3594 -2.3594 1.0514 1.0514 1.0520 1.0520 5.7266 5.7266 5.7307 5.7307 5.7868 5.7868 5.7882 5.7882 9.8306 9.8306 9.8311 9.8311 11.0755 11.0755 11.0777 11.0777 k = 0.4796 0.2769 0.3049 ( 2502 PWs) bands (ev): -6.9429 -6.9429 -6.9400 -6.9400 -6.8641 -6.8641 -6.8638 -6.8638 -6.4930 -6.4930 -6.4887 -6.4887 -6.4124 -6.4124 -6.4119 -6.4119 -6.3708 -6.3708 -6.3697 -6.3697 -2.3411 -2.3411 -2.3410 -2.3410 1.0233 1.0233 1.0237 1.0237 5.7317 5.7317 5.7345 5.7345 5.7837 5.7837 5.7847 5.7847 9.8253 9.8253 9.8256 9.8256 11.0571 11.0571 11.0586 11.0586 k = 0.4898 0.2828 0.3049 ( 2498 PWs) bands (ev): -6.9422 -6.9422 -6.9408 -6.9408 -6.8640 -6.8640 -6.8638 -6.8638 -6.4919 -6.4919 -6.4897 -6.4897 -6.4123 -6.4123 -6.4120 -6.4120 -6.3705 -6.3705 -6.3699 -6.3699 -2.3299 -2.3299 -2.3298 -2.3298 1.0063 1.0063 1.0065 1.0065 5.7346 5.7346 5.7360 5.7360 5.7824 5.7824 5.7829 5.7829 9.8221 9.8221 9.8223 9.8223 11.0462 11.0462 11.0469 11.0469 k = 0.5000 0.2887 0.3049 ( 2492 PWs) bands (ev): -6.9415 -6.9415 -6.9415 -6.9415 -6.8639 -6.8639 -6.8639 -6.8639 -6.4908 -6.4908 -6.4908 -6.4908 -6.4122 -6.4122 -6.4122 -6.4122 -6.3701 -6.3701 -6.3701 -6.3701 -2.3261 -2.3261 -2.3261 -2.3261 1.0007 1.0007 1.0007 1.0007 5.7360 5.7360 5.7360 5.7360 5.7823 5.7823 5.7823 5.7823 9.8212 9.8212 9.8212 9.8212 11.0428 11.0428 11.0428 11.0428 k = 0.5000 0.2887 0.3049 ( 2492 PWs) bands (ev): -6.9415 -6.9415 -6.9415 -6.9415 -6.8639 -6.8639 -6.8639 -6.8639 -6.4908 -6.4908 -6.4908 -6.4908 -6.4122 -6.4122 -6.4122 -6.4122 -6.3701 -6.3701 -6.3701 -6.3701 -2.3261 -2.3261 -2.3261 -2.3261 1.0007 1.0007 1.0007 1.0007 5.7360 5.7360 5.7360 5.7360 5.7823 5.7823 5.7823 5.7823 9.8212 9.8212 9.8212 9.8212 11.0428 11.0428 11.0428 11.0428 k = 0.4940 0.2990 0.3049 ( 2496 PWs) bands (ev): -6.9432 -6.9432 -6.9399 -6.9399 -6.8645 -6.8645 -6.8632 -6.8632 -6.4928 -6.4928 -6.4888 -6.4888 -6.4125 -6.4125 -6.4118 -6.4118 -6.3706 -6.3706 -6.3697 -6.3697 -2.3253 -2.3253 -2.3251 -2.3251 1.0009 1.0009 1.0014 1.0014 5.6901 5.6901 5.7202 5.7202 5.7899 5.7899 5.8217 5.8217 9.8274 9.8274 9.8304 9.8304 11.0462 11.0462 11.0478 11.0478 k = 0.4881 0.3093 0.3049 ( 2502 PWs) bands (ev): -6.9448 -6.9448 -6.9383 -6.9383 -6.8651 -6.8651 -6.8625 -6.8625 -6.4950 -6.4950 -6.4869 -6.4869 -6.4127 -6.4127 -6.4115 -6.4115 -6.3711 -6.3711 -6.3694 -6.3694 -2.3228 -2.3228 -2.3224 -2.3224 1.0019 1.0019 1.0029 1.0029 5.6329 5.6329 5.6631 5.6631 5.8246 5.8246 5.8582 5.8582 9.8486 9.8486 9.8546 9.8546 11.0582 11.0582 11.0613 11.0613 k = 0.4821 0.3196 0.3049 ( 2502 PWs) bands (ev): -6.9463 -6.9463 -6.9367 -6.9367 -6.8656 -6.8656 -6.8618 -6.8618 -6.4971 -6.4971 -6.4850 -6.4850 -6.4129 -6.4129 -6.4110 -6.4110 -6.3716 -6.3716 -6.3690 -6.3690 -2.3186 -2.3186 -2.3180 -2.3180 1.0037 1.0037 1.0052 1.0052 5.5673 5.5673 5.5961 5.5961 5.8559 5.8559 5.8895 5.8895 9.8838 9.8838 9.8925 9.8925 11.0793 11.0793 11.0841 11.0841 k = 0.4762 0.3299 0.3049 ( 2502 PWs) bands (ev): -6.9479 -6.9479 -6.9351 -6.9351 -6.8661 -6.8661 -6.8610 -6.8610 -6.4992 -6.4992 -6.4833 -6.4833 -6.4131 -6.4131 -6.4106 -6.4106 -6.3722 -6.3722 -6.3688 -6.3688 -2.3127 -2.3127 -2.3120 -2.3120 1.0063 1.0063 1.0083 1.0083 5.4936 5.4936 5.5210 5.5210 5.8831 5.8831 5.9162 5.9162 9.9307 9.9307 9.9418 9.9418 11.1104 11.1104 11.1169 11.1169 k = 0.4702 0.3402 0.3049 ( 2502 PWs) bands (ev): -6.9493 -6.9493 -6.9335 -6.9335 -6.8666 -6.8666 -6.8602 -6.8602 -6.5014 -6.5014 -6.4816 -6.4816 -6.4132 -6.4132 -6.4101 -6.4101 -6.3728 -6.3728 -6.3685 -6.3685 -2.3052 -2.3052 -2.3043 -2.3043 1.0096 1.0096 1.0121 1.0121 5.4124 5.4124 5.4384 5.4384 5.9071 5.9071 5.9394 5.9394 9.9869 9.9869 9.9999 9.9999 11.1526 11.1526 11.1609 11.1609 k = 0.4643 0.3505 0.3049 ( 2498 PWs) bands (ev): -6.9507 -6.9507 -6.9320 -6.9320 -6.8670 -6.8670 -6.8594 -6.8594 -6.5035 -6.5035 -6.4800 -6.4800 -6.4132 -6.4132 -6.4095 -6.4095 -6.3735 -6.3735 -6.3683 -6.3683 -2.2960 -2.2960 -2.2949 -2.2949 1.0135 1.0135 1.0165 1.0165 5.3245 5.3245 5.3494 5.3494 5.9286 5.9286 5.9598 5.9598 10.0491 10.0491 10.0637 10.0637 11.2072 11.2072 11.2175 11.2175 k = 0.4583 0.3608 0.3049 ( 2502 PWs) bands (ev): -6.9521 -6.9521 -6.9305 -6.9305 -6.8674 -6.8674 -6.8586 -6.8586 -6.5057 -6.5057 -6.4786 -6.4786 -6.4132 -6.4132 -6.4090 -6.4090 -6.3742 -6.3742 -6.3682 -6.3682 -2.2853 -2.2853 -2.2841 -2.2841 1.0180 1.0180 1.0216 1.0216 5.2309 5.2309 5.2549 5.2549 5.9482 5.9482 5.9782 5.9782 10.1142 10.1142 10.1299 10.1299 11.2757 11.2757 11.2880 11.2880 k = 0.4524 0.3712 0.3049 ( 2506 PWs) bands (ev): -6.9534 -6.9534 -6.9290 -6.9290 -6.8677 -6.8677 -6.8577 -6.8577 -6.5078 -6.5078 -6.4773 -6.4773 -6.4131 -6.4131 -6.4084 -6.4084 -6.3749 -6.3749 -6.3681 -6.3681 -2.2731 -2.2731 -2.2717 -2.2717 1.0230 1.0230 1.0271 1.0271 5.1327 5.1327 5.1562 5.1562 5.9664 5.9664 5.9951 5.9951 10.1791 10.1791 10.1955 10.1955 11.3594 11.3594 11.3736 11.3736 k = 0.4464 0.3815 0.3049 ( 2506 PWs) bands (ev): -6.9547 -6.9547 -6.9277 -6.9277 -6.8680 -6.8680 -6.8568 -6.8568 -6.5098 -6.5098 -6.4760 -6.4760 -6.4130 -6.4130 -6.4078 -6.4078 -6.3757 -6.3757 -6.3680 -6.3680 -2.2594 -2.2594 -2.2580 -2.2580 1.0283 1.0283 1.0329 1.0329 5.0312 5.0312 5.0544 5.0544 5.9836 5.9836 6.0110 6.0110 10.2414 10.2414 10.2581 10.2581 11.4588 11.4588 11.4749 11.4749 k = 0.4405 0.3918 0.3049 ( 2510 PWs) bands (ev): -6.9558 -6.9558 -6.9264 -6.9264 -6.8683 -6.8683 -6.8559 -6.8559 -6.5118 -6.5118 -6.4749 -6.4749 -6.4128 -6.4128 -6.4071 -6.4071 -6.3765 -6.3765 -6.3680 -6.3680 -2.2444 -2.2444 -2.2429 -2.2429 1.0338 1.0338 1.0389 1.0389 4.9274 4.9274 4.9506 4.9506 6.0001 6.0001 6.0262 6.0262 10.2992 10.2992 10.3160 10.3160 11.5741 11.5741 11.5919 11.5919 k = 0.4345 0.4021 0.3049 ( 2522 PWs) bands (ev): -6.9570 -6.9570 -6.9252 -6.9252 -6.8686 -6.8685 -6.8550 -6.8550 -6.5138 -6.5138 -6.4740 -6.4740 -6.4126 -6.4126 -6.4065 -6.4065 -6.3774 -6.3774 -6.3680 -6.3680 -2.2282 -2.2282 -2.2266 -2.2266 1.0393 1.0393 1.0451 1.0451 4.8227 4.8227 4.8461 4.8461 6.0161 6.0161 6.0410 6.0410 10.3516 10.3516 10.3683 10.3683 11.7043 11.7043 11.7235 11.7235 k = 0.4286 0.4124 0.3049 ( 2510 PWs) bands (ev): -6.9580 -6.9580 -6.9240 -6.9240 -6.8687 -6.8687 -6.8540 -6.8540 -6.5156 -6.5156 -6.4731 -6.4731 -6.4123 -6.4123 -6.4057 -6.4057 -6.3782 -6.3782 -6.3679 -6.3679 -2.2108 -2.2108 -2.2092 -2.2092 1.0448 1.0448 1.0511 1.0511 4.7181 4.7181 4.7418 4.7418 6.0318 6.0318 6.0556 6.0556 10.3985 10.3985 10.4149 10.4149 11.8480 11.8480 11.8684 11.8684 k = 0.4226 0.4227 0.3049 ( 2514 PWs) bands (ev): -6.9590 -6.9590 -6.9230 -6.9230 -6.8689 -6.8689 -6.8530 -6.8530 -6.5174 -6.5174 -6.4723 -6.4723 -6.4121 -6.4121 -6.4050 -6.4050 -6.3791 -6.3791 -6.3680 -6.3680 -2.1925 -2.1925 -2.1908 -2.1908 1.0500 1.0500 1.0568 1.0568 4.6147 4.6147 4.6388 4.6388 6.0471 6.0471 6.0699 6.0699 10.4400 10.4400 10.4559 10.4559 12.0028 12.0028 12.0240 12.0240 k = 0.4167 0.4330 0.3049 ( 2514 PWs) bands (ev): -6.9599 -6.9599 -6.9221 -6.9221 -6.8690 -6.8690 -6.8521 -6.8521 -6.5191 -6.5191 -6.4717 -6.4717 -6.4118 -6.4118 -6.4042 -6.4042 -6.3799 -6.3799 -6.3680 -6.3680 -2.1733 -2.1733 -2.1717 -2.1717 1.0547 1.0547 1.0621 1.0621 4.5136 4.5136 4.5381 4.5381 6.0623 6.0623 6.0840 6.0840 10.4765 10.4765 10.4920 10.4920 12.1660 12.1660 12.1877 12.1877 k = 0.4107 0.4433 0.3049 ( 2514 PWs) bands (ev): -6.9607 -6.9607 -6.9212 -6.9212 -6.8691 -6.8691 -6.8512 -6.8512 -6.5206 -6.5206 -6.4712 -6.4712 -6.4114 -6.4114 -6.4034 -6.4034 -6.3808 -6.3808 -6.3680 -6.3680 -2.1534 -2.1534 -2.1518 -2.1518 1.0588 1.0588 1.0668 1.0668 4.4156 4.4156 4.4407 4.4407 6.0771 6.0771 6.0980 6.0980 10.5086 10.5086 10.5237 10.5237 12.3340 12.3340 12.3559 12.3559 k = 0.4048 0.4536 0.3049 ( 2514 PWs) bands (ev): -6.9615 -6.9615 -6.9205 -6.9205 -6.8692 -6.8692 -6.8503 -6.8503 -6.5221 -6.5221 -6.4707 -6.4707 -6.4111 -6.4111 -6.4025 -6.4025 -6.3817 -6.3817 -6.3681 -6.3681 -2.1331 -2.1331 -2.1316 -2.1316 1.0621 1.0621 1.0707 1.0707 4.3217 4.3217 4.3472 4.3472 6.0917 6.0917 6.1117 6.1117 10.5368 10.5368 10.5515 10.5515 12.5020 12.5020 12.5238 12.5238 k = 0.3988 0.4639 0.3049 ( 2516 PWs) bands (ev): -6.9622 -6.9622 -6.9198 -6.9198 -6.8692 -6.8692 -6.8494 -6.8494 -6.5234 -6.5234 -6.4703 -6.4703 -6.4108 -6.4108 -6.4017 -6.4017 -6.3827 -6.3827 -6.3682 -6.3682 -2.1125 -2.1125 -2.1111 -2.1111 1.0645 1.0645 1.0736 1.0736 4.2327 4.2327 4.2587 4.2587 6.1059 6.1059 6.1252 6.1252 10.5614 10.5614 10.5757 10.5757 12.6624 12.6624 12.6839 12.6839 k = 0.3929 0.4743 0.3049 ( 2516 PWs) bands (ev): -6.9628 -6.9628 -6.9192 -6.9192 -6.8692 -6.8692 -6.8486 -6.8486 -6.5247 -6.5247 -6.4700 -6.4700 -6.4104 -6.4104 -6.4008 -6.4008 -6.3836 -6.3836 -6.3682 -6.3682 -2.0919 -2.0919 -2.0905 -2.0905 1.0658 1.0658 1.0754 1.0754 4.1494 4.1494 4.1758 4.1758 6.1197 6.1197 6.1383 6.1383 10.5826 10.5826 10.5966 10.5966 12.8030 12.8030 12.8244 12.8244 k = 0.3869 0.4846 0.3049 ( 2516 PWs) bands (ev): -6.9634 -6.9634 -6.9188 -6.9188 -6.8693 -6.8693 -6.8478 -6.8478 -6.5258 -6.5258 -6.4698 -6.4698 -6.4101 -6.4101 -6.4000 -6.4000 -6.3845 -6.3845 -6.3683 -6.3683 -2.0716 -2.0716 -2.0703 -2.0703 1.0658 1.0659 1.0760 1.0760 4.0724 4.0724 4.0991 4.0991 6.1328 6.1328 6.1509 6.1509 10.6008 10.6008 10.6146 10.6146 12.9066 12.9066 12.9295 12.9295 k = 0.3810 0.4949 0.3049 ( 2518 PWs) bands (ev): -6.9639 -6.9639 -6.9184 -6.9184 -6.8693 -6.8693 -6.8472 -6.8472 -6.5267 -6.5267 -6.4697 -6.4697 -6.4098 -6.4098 -6.3991 -6.3991 -6.3854 -6.3854 -6.3683 -6.3683 -2.0517 -2.0517 -2.0506 -2.0506 1.0647 1.0647 1.0754 1.0754 4.0024 4.0024 4.0294 4.0294 6.1453 6.1453 6.1628 6.1628 10.6161 10.6161 10.6296 10.6296 12.9619 12.9619 12.9881 12.9881 k = 0.3750 0.5052 0.3049 ( 2514 PWs) bands (ev): -6.9643 -6.9643 -6.9180 -6.9180 -6.8693 -6.8693 -6.8465 -6.8465 -6.5275 -6.5275 -6.4695 -6.4695 -6.4095 -6.4095 -6.3982 -6.3982 -6.3862 -6.3862 -6.3684 -6.3684 -2.0328 -2.0328 -2.0318 -2.0318 1.0625 1.0625 1.0737 1.0737 3.9398 3.9398 3.9671 3.9671 6.1569 6.1569 6.1739 6.1739 10.6287 10.6287 10.6420 10.6420 12.9762 12.9762 13.0058 13.0058 k = 0.3690 0.5155 0.3049 ( 2506 PWs) bands (ev): -6.9647 -6.9647 -6.9177 -6.9177 -6.8692 -6.8692 -6.8459 -6.8459 -6.5282 -6.5282 -6.4694 -6.4694 -6.4093 -6.4093 -6.3973 -6.3973 -6.3871 -6.3871 -6.3684 -6.3684 -2.0151 -2.0151 -2.0142 -2.0142 1.0592 1.0592 1.0708 1.0708 3.8852 3.8852 3.9127 3.9127 6.1675 6.1675 6.1842 6.1842 10.6387 10.6387 10.6519 10.6519 12.9670 12.9670 12.9989 12.9989 k = 0.3631 0.5258 0.3049 ( 2506 PWs) bands (ev): -6.9650 -6.9650 -6.9175 -6.9175 -6.8692 -6.8692 -6.8454 -6.8454 -6.5288 -6.5288 -6.4694 -6.4694 -6.4091 -6.4091 -6.3965 -6.3965 -6.3879 -6.3879 -6.3684 -6.3684 -1.9990 -1.9990 -1.9983 -1.9983 1.0551 1.0551 1.0671 1.0671 3.8388 3.8388 3.8665 3.8665 6.1770 6.1770 6.1933 6.1933 10.6463 10.6463 10.6594 10.6594 12.9481 12.9481 12.9813 12.9813 k = 0.3571 0.5361 0.3049 ( 2504 PWs) bands (ev): -6.9653 -6.9653 -6.9173 -6.9173 -6.8692 -6.8692 -6.8450 -6.8450 -6.5293 -6.5293 -6.4694 -6.4694 -6.4089 -6.4089 -6.3957 -6.3957 -6.3887 -6.3887 -6.3684 -6.3684 -1.9849 -1.9849 -1.9843 -1.9843 1.0506 1.0506 1.0629 1.0629 3.8009 3.8009 3.8288 3.8288 6.1851 6.1851 6.2011 6.2011 10.6517 10.6517 10.6648 10.6648 12.9272 12.9272 12.9612 12.9612 k = 0.3512 0.5464 0.3049 ( 2512 PWs) bands (ev): -6.9655 -6.9655 -6.9172 -6.9172 -6.8692 -6.8692 -6.8448 -6.8448 -6.5296 -6.5296 -6.4694 -6.4694 -6.4088 -6.4088 -6.3951 -6.3951 -6.3894 -6.3894 -6.3685 -6.3685 -1.9732 -1.9732 -1.9727 -1.9727 1.0460 1.0460 1.0586 1.0586 3.7716 3.7716 3.7995 3.7995 6.1917 6.1917 6.2075 6.2075 10.6552 10.6552 10.6682 10.6682 12.9085 12.9085 12.9429 12.9429 k = 0.3452 0.5567 0.3049 ( 2524 PWs) bands (ev): -6.9657 -6.9657 -6.9172 -6.9172 -6.8693 -6.8693 -6.8446 -6.8446 -6.5299 -6.5299 -6.4694 -6.4694 -6.4087 -6.4087 -6.3945 -6.3945 -6.3900 -6.3900 -6.3685 -6.3685 -1.9643 -1.9643 -1.9639 -1.9639 1.0419 1.0419 1.0548 1.0548 3.7508 3.7508 3.7788 3.7788 6.1966 6.1966 6.2122 6.2122 10.6571 10.6571 10.6702 10.6702 12.8943 12.8943 12.9289 12.9289 k = 0.3393 0.5670 0.3049 ( 2524 PWs) bands (ev): -6.9658 -6.9658 -6.9171 -6.9171 -6.8693 -6.8693 -6.8444 -6.8444 -6.5301 -6.5301 -6.4694 -6.4694 -6.4086 -6.4086 -6.3941 -6.3941 -6.3904 -6.3904 -6.3685 -6.3685 -1.9587 -1.9587 -1.9583 -1.9583 1.0390 1.0390 1.0520 1.0520 3.7385 3.7385 3.7665 3.7665 6.1996 6.1996 6.2152 6.2152 10.6579 10.6579 10.6710 10.6710 12.8854 12.8854 12.9202 12.9202 k = 0.3333 0.5774 0.3049 ( 2526 PWs) bands (ev): -6.9658 -6.9658 -6.9171 -6.9171 -6.8693 -6.8693 -6.8444 -6.8444 -6.5301 -6.5301 -6.4694 -6.4694 -6.4086 -6.4086 -6.3940 -6.3940 -6.3906 -6.3906 -6.3685 -6.3685 -1.9567 -1.9567 -1.9564 -1.9564 1.0379 1.0379 1.0509 1.0509 3.7344 3.7344 3.7625 3.7625 6.2007 6.2007 6.2162 6.2162 10.6581 10.6581 10.6711 10.6711 12.8825 12.8825 12.9172 12.9172 k = 0.3333 0.5774 0.3049 ( 2526 PWs) bands (ev): -6.9658 -6.9658 -6.9171 -6.9171 -6.8693 -6.8693 -6.8444 -6.8444 -6.5301 -6.5301 -6.4694 -6.4694 -6.4086 -6.4086 -6.3940 -6.3940 -6.3906 -6.3906 -6.3685 -6.3685 -1.9567 -1.9567 -1.9564 -1.9564 1.0379 1.0379 1.0509 1.0509 3.7344 3.7344 3.7625 3.7625 6.2007 6.2007 6.2162 6.2162 10.6581 10.6581 10.6711 10.6711 12.8825 12.8825 12.9172 12.9172 k = 0.3274 0.5670 0.3049 ( 2526 PWs) bands (ev): -6.9658 -6.9658 -6.9172 -6.9172 -6.8693 -6.8693 -6.8444 -6.8444 -6.5301 -6.5301 -6.4694 -6.4694 -6.4086 -6.4086 -6.3941 -6.3941 -6.3905 -6.3905 -6.3685 -6.3685 -1.9588 -1.9588 -1.9585 -1.9585 1.0393 1.0393 1.0522 1.0522 3.7384 3.7384 3.7664 3.7664 6.1996 6.1996 6.2152 6.2152 10.6581 10.6581 10.6712 10.6712 12.8854 12.8854 12.9201 12.9201 k = 0.3214 0.5567 0.3049 ( 2516 PWs) bands (ev): -6.9657 -6.9657 -6.9171 -6.9171 -6.8692 -6.8692 -6.8446 -6.8446 -6.5299 -6.5299 -6.4694 -6.4694 -6.4087 -6.4087 -6.3944 -6.3944 -6.3901 -6.3901 -6.3685 -6.3685 -1.9652 -1.9652 -1.9648 -1.9648 1.0438 1.0438 1.0566 1.0566 3.7500 3.7500 3.7780 3.7780 6.1962 6.1962 6.2119 6.2119 10.6585 10.6585 10.6715 10.6715 12.8940 12.8940 12.9287 12.9287 k = 0.3155 0.5464 0.3049 ( 2512 PWs) bands (ev): -6.9655 -6.9655 -6.9172 -6.9172 -6.8692 -6.8692 -6.8447 -6.8447 -6.5297 -6.5297 -6.4693 -6.4693 -6.4088 -6.4088 -6.3948 -6.3948 -6.3897 -6.3897 -6.3685 -6.3685 -1.9763 -1.9763 -1.9758 -1.9758 1.0522 1.0522 1.0648 1.0648 3.7689 3.7689 3.7969 3.7969 6.1904 6.1904 6.2063 6.2063 10.6598 10.6598 10.6728 10.6728 12.9078 12.9078 12.9423 12.9423 k = 0.3095 0.5361 0.3049 ( 2512 PWs) bands (ev): -6.9653 -6.9653 -6.9172 -6.9172 -6.8692 -6.8692 -6.8450 -6.8450 -6.5295 -6.5295 -6.4693 -6.4693 -6.4089 -6.4089 -6.3952 -6.3952 -6.3893 -6.3893 -6.3685 -6.3685 -1.9922 -1.9922 -1.9915 -1.9915 1.0651 1.0651 1.0774 1.0774 3.7946 3.7946 3.8226 3.8226 6.1822 6.1822 6.1982 6.1982 10.6626 10.6626 10.6755 10.6755 12.9261 12.9261 12.9605 12.9605 k = 0.3036 0.5258 0.3049 ( 2516 PWs) bands (ev): -6.9651 -6.9651 -6.9173 -6.9173 -6.8693 -6.8693 -6.8454 -6.8454 -6.5292 -6.5292 -6.4693 -6.4693 -6.4091 -6.4091 -6.3956 -6.3956 -6.3889 -6.3889 -6.3685 -6.3685 -2.0130 -2.0130 -2.0122 -2.0122 1.0829 1.0829 1.0949 1.0949 3.8269 3.8269 3.8549 3.8549 6.1715 6.1715 6.1878 6.1878 10.6671 10.6671 10.6801 10.6801 12.9483 12.9483 12.9824 12.9824 k = 0.2976 0.5155 0.3049 ( 2520 PWs) bands (ev): -6.9648 -6.9648 -6.9173 -6.9173 -6.8693 -6.8693 -6.8458 -6.8458 -6.5289 -6.5289 -6.4692 -6.4692 -6.4093 -6.4093 -6.3959 -6.3959 -6.3886 -6.3886 -6.3686 -6.3686 -2.0388 -2.0388 -2.0377 -2.0377 1.1060 1.1060 1.1176 1.1176 3.8652 3.8652 3.8932 3.8932 6.1583 6.1583 6.1748 6.1748 10.6741 10.6741 10.6869 10.6869 12.9734 12.9734 13.0071 13.0071 k = 0.2917 0.5052 0.3049 ( 2520 PWs) bands (ev): -6.9645 -6.9645 -6.9174 -6.9174 -6.8694 -6.8694 -6.8463 -6.8463 -6.5285 -6.5285 -6.4691 -6.4691 -6.4096 -6.4096 -6.3963 -6.3963 -6.3883 -6.3883 -6.3686 -6.3686 -2.0694 -2.0694 -2.0681 -2.0681 1.1349 1.1349 1.1460 1.1460 3.9092 3.9092 3.9372 3.9372 6.1425 6.1425 6.1593 6.1593 10.6837 10.6837 10.6965 10.6965 13.0003 13.0003 13.0335 13.0335 k = 0.2857 0.4949 0.3049 ( 2524 PWs) bands (ev): -6.9641 -6.9641 -6.9174 -6.9174 -6.8694 -6.8694 -6.8468 -6.8468 -6.5281 -6.5281 -6.4690 -6.4690 -6.4098 -6.4098 -6.3966 -6.3966 -6.3881 -6.3881 -6.3687 -6.3687 -2.1047 -2.1047 -2.1032 -2.1032 1.1696 1.1696 1.1802 1.1802 3.9585 3.9585 3.9865 3.9865 6.1243 6.1243 6.1414 6.1414 10.6963 10.6963 10.7090 10.7090 13.0278 13.0278 13.0602 13.0602 k = 0.2798 0.4846 0.3049 ( 2518 PWs) bands (ev): -6.9636 -6.9636 -6.9174 -6.9174 -6.8694 -6.8694 -6.8474 -6.8474 -6.5277 -6.5277 -6.4689 -6.4689 -6.4101 -6.4101 -6.3968 -6.3968 -6.3879 -6.3879 -6.3688 -6.3688 -2.1446 -2.1446 -2.1428 -2.1428 1.2102 1.2102 1.2204 1.2204 4.0127 4.0127 4.0407 4.0407 6.1037 6.1037 6.1212 6.1212 10.7120 10.7120 10.7246 10.7246 13.0543 13.0543 13.0857 13.0857 k = 0.2738 0.4743 0.3049 ( 2512 PWs) bands (ev): -6.9631 -6.9631 -6.9174 -6.9174 -6.8695 -6.8695 -6.8480 -6.8480 -6.5273 -6.5273 -6.4688 -6.4688 -6.4104 -6.4104 -6.3970 -6.3970 -6.3878 -6.3878 -6.3688 -6.3688 -2.1886 -2.1886 -2.1865 -2.1865 1.2567 1.2567 1.2664 1.2664 4.0714 4.0714 4.0995 4.0995 6.0808 6.0808 6.0988 6.0988 10.7311 10.7311 10.7436 10.7436 13.0781 13.0781 13.1080 13.1080 k = 0.2679 0.4639 0.3049 ( 2512 PWs) bands (ev): -6.9626 -6.9626 -6.9174 -6.9174 -6.8695 -6.8695 -6.8486 -6.8486 -6.5269 -6.5269 -6.4686 -6.4686 -6.4107 -6.4107 -6.3972 -6.3972 -6.3877 -6.3877 -6.3690 -6.3690 -2.2365 -2.2365 -2.2342 -2.2342 1.3091 1.3091 1.3183 1.3183 4.1344 4.1344 4.1625 4.1625 6.0558 6.0558 6.0742 6.0742 10.7535 10.7535 10.7659 10.7659 13.0971 13.0971 13.1251 13.1251 k = 0.2619 0.4536 0.3049 ( 2512 PWs) bands (ev): -6.9620 -6.9620 -6.9173 -6.9173 -6.8696 -6.8696 -6.8493 -6.8493 -6.5265 -6.5265 -6.4685 -6.4685 -6.4110 -6.4110 -6.3974 -6.3974 -6.3877 -6.3877 -6.3691 -6.3691 -2.2878 -2.2878 -2.2852 -2.2852 1.3671 1.3671 1.3759 1.3759 4.2013 4.2013 4.2294 4.2294 6.0289 6.0289 6.0478 6.0478 10.7792 10.7792 10.7915 10.7915 13.1091 13.1091 13.1349 13.1349 k = 0.2560 0.4433 0.3049 ( 2512 PWs) bands (ev): -6.9613 -6.9613 -6.9172 -6.9172 -6.8696 -6.8696 -6.8500 -6.8500 -6.5260 -6.5260 -6.4684 -6.4684 -6.4112 -6.4112 -6.3976 -6.3976 -6.3878 -6.3878 -6.3693 -6.3693 -2.3422 -2.3422 -2.3394 -2.3394 1.4306 1.4306 1.4389 1.4389 4.2717 4.2717 4.2999 4.2999 6.0002 6.0002 6.0196 6.0196 10.8081 10.8081 10.8203 10.8203 13.1125 13.1125 13.1357 13.1357 k = 0.2500 0.4330 0.3049 ( 2508 PWs) bands (ev): -6.9606 -6.9606 -6.9171 -6.9171 -6.8697 -6.8697 -6.8507 -6.8507 -6.5256 -6.5256 -6.4682 -6.4682 -6.4115 -6.4115 -6.3977 -6.3977 -6.3879 -6.3879 -6.3695 -6.3695 -2.3993 -2.3993 -2.3963 -2.3963 1.4992 1.4992 1.5072 1.5072 4.3456 4.3456 4.3737 4.3737 5.9700 5.9700 5.9900 5.9900 10.8402 10.8402 10.8523 10.8523 13.1061 13.1061 13.1268 13.1268 k = 0.2440 0.4227 0.3049 ( 2506 PWs) bands (ev): -6.9599 -6.9599 -6.9170 -6.9170 -6.8697 -6.8697 -6.8515 -6.8515 -6.5252 -6.5252 -6.4681 -6.4681 -6.4118 -6.4118 -6.3978 -6.3978 -6.3880 -6.3880 -6.3697 -6.3697 -2.4587 -2.4587 -2.4555 -2.4555 1.5728 1.5728 1.5805 1.5805 4.4224 4.4224 4.4506 4.4506 5.9386 5.9386 5.9592 5.9592 10.8750 10.8750 10.8869 10.8869 13.0899 13.0899 13.1087 13.1087 k = 0.2381 0.4124 0.3049 ( 2510 PWs) bands (ev): -6.9592 -6.9592 -6.9169 -6.9169 -6.8698 -6.8698 -6.8522 -6.8522 -6.5248 -6.5248 -6.4680 -6.4680 -6.4120 -6.4120 -6.3980 -6.3980 -6.3882 -6.3882 -6.3700 -6.3700 -2.5199 -2.5199 -2.5165 -2.5165 1.6510 1.6510 1.6584 1.6584 4.5021 4.5021 4.5302 4.5302 5.9063 5.9063 5.9274 5.9274 10.9123 10.9123 10.9241 10.9241 13.0649 13.0649 13.0825 13.0825 k = 0.2321 0.4021 0.3049 ( 2510 PWs) bands (ev): -6.9584 -6.9584 -6.9167 -6.9167 -6.8699 -6.8699 -6.8530 -6.8530 -6.5244 -6.5244 -6.4679 -6.4679 -6.4122 -6.4122 -6.3981 -6.3981 -6.3885 -6.3885 -6.3703 -6.3703 -2.5827 -2.5827 -2.5791 -2.5791 1.7335 1.7335 1.7407 1.7407 4.5842 4.5842 4.6123 4.6123 5.8732 5.8732 5.8951 5.8951 10.9517 10.9517 10.9634 10.9634 13.0330 13.0330 13.0503 13.0503 k = 0.2262 0.3918 0.3049 ( 2510 PWs) bands (ev): -6.9575 -6.9575 -6.9165 -6.9165 -6.8700 -6.8700 -6.8538 -6.8538 -6.5240 -6.5240 -6.4678 -6.4678 -6.4124 -6.4124 -6.3983 -6.3983 -6.3887 -6.3887 -6.3706 -6.3706 -2.6467 -2.6467 -2.6429 -2.6429 1.8199 1.8199 1.8270 1.8270 4.6686 4.6686 4.6967 4.6967 5.8399 5.8399 5.8625 5.8625 10.9929 10.9929 11.0043 11.0043 12.9960 12.9960 13.0138 13.0138 k = 0.2202 0.3815 0.3049 ( 2506 PWs) bands (ev): -6.9566 -6.9566 -6.9163 -6.9163 -6.8700 -6.8700 -6.8546 -6.8546 -6.5236 -6.5236 -6.4678 -6.4678 -6.4126 -6.4126 -6.3985 -6.3985 -6.3889 -6.3889 -6.3710 -6.3710 -2.7115 -2.7115 -2.7076 -2.7076 1.9100 1.9100 1.9171 1.9171 4.7550 4.7550 4.7829 4.7829 5.8066 5.8066 5.8301 5.8301 11.0353 11.0353 11.0465 11.0465 12.9560 12.9560 12.9749 12.9749 k = 0.2143 0.3712 0.3049 ( 2510 PWs) bands (ev): -6.9557 -6.9557 -6.9161 -6.9161 -6.8701 -6.8701 -6.8554 -6.8554 -6.5232 -6.5232 -6.4677 -6.4677 -6.4127 -6.4127 -6.3987 -6.3987 -6.3892 -6.3892 -6.3714 -6.3714 -2.7768 -2.7768 -2.7727 -2.7727 2.0034 2.0034 2.0104 2.0104 4.8431 4.8431 4.8707 4.8707 5.7738 5.7738 5.7983 5.7983 11.0784 11.0784 11.0893 11.0893 12.9142 12.9142 12.9346 12.9346 k = 0.2083 0.3608 0.3049 ( 2510 PWs) bands (ev): -6.9548 -6.9548 -6.9158 -6.9158 -6.8702 -6.8702 -6.8562 -6.8562 -6.5228 -6.5228 -6.4677 -6.4677 -6.4128 -6.4128 -6.3990 -6.3990 -6.3895 -6.3895 -6.3718 -6.3718 -2.8424 -2.8424 -2.8382 -2.8382 2.0996 2.0996 2.1067 2.1067 4.9325 4.9325 4.9597 4.9597 5.7418 5.7418 5.7675 5.7675 11.1217 11.1217 11.1321 11.1321 12.8716 12.8716 12.8938 12.8938 k = 0.2024 0.3505 0.3049 ( 2514 PWs) bands (ev): -6.9538 -6.9538 -6.9155 -6.9155 -6.8703 -6.8703 -6.8570 -6.8570 -6.5225 -6.5225 -6.4677 -6.4677 -6.4129 -6.4129 -6.3993 -6.3993 -6.3897 -6.3897 -6.3722 -6.3722 -2.9079 -2.9079 -2.9036 -2.9036 2.1985 2.1985 2.2056 2.2056 5.0228 5.0228 5.0494 5.0494 5.7114 5.7114 5.7384 5.7384 11.1646 11.1646 11.1744 11.1744 12.8286 12.8286 12.8532 12.8532 k = 0.1964 0.3402 0.3049 ( 2518 PWs) bands (ev): -6.9528 -6.9528 -6.9152 -6.9152 -6.8705 -6.8705 -6.8578 -6.8578 -6.5221 -6.5221 -6.4678 -6.4678 -6.4130 -6.4130 -6.3997 -6.3997 -6.3899 -6.3899 -6.3727 -6.3727 -2.9732 -2.9732 -2.9689 -2.9689 2.2995 2.2995 2.3067 2.3067 5.1135 5.1135 5.1392 5.1392 5.6831 5.6831 5.7119 5.7119 11.2064 11.2064 11.2155 11.2155 12.7855 12.7855 12.8128 12.8128 k = 0.1905 0.3299 0.3049 ( 2518 PWs) bands (ev): -6.9518 -6.9518 -6.9149 -6.9149 -6.8706 -6.8706 -6.8586 -6.8586 -6.5217 -6.5217 -6.4679 -6.4679 -6.4130 -6.4130 -6.4001 -6.4001 -6.3900 -6.3900 -6.3732 -6.3732 -3.0381 -3.0381 -3.0336 -3.0336 2.4022 2.4022 2.4096 2.4096 5.2037 5.2037 5.2281 5.2281 5.6581 5.6581 5.6892 5.6892 11.2466 11.2466 11.2548 11.2548 12.7421 12.7421 12.7727 12.7727 k = 0.1845 0.3196 0.3049 ( 2520 PWs) bands (ev): -6.9507 -6.9507 -6.9145 -6.9145 -6.8708 -6.8708 -6.8594 -6.8594 -6.5213 -6.5213 -6.4680 -6.4680 -6.4130 -6.4130 -6.4006 -6.4006 -6.3900 -6.3900 -6.3737 -6.3737 -3.1023 -3.1023 -3.0977 -3.0977 2.5062 2.5062 2.5137 2.5137 5.2916 5.2916 5.3140 5.3140 5.6382 5.6382 5.6726 5.6726 11.2846 11.2846 11.2919 11.2919 12.6981 12.6981 12.7323 12.7323 k = 0.1786 0.3093 0.3049 ( 2524 PWs) bands (ev): -6.9497 -6.9497 -6.9142 -6.9142 -6.8710 -6.8710 -6.8601 -6.8601 -6.5210 -6.5210 -6.4681 -6.4681 -6.4130 -6.4130 -6.4012 -6.4012 -6.3901 -6.3901 -6.3743 -6.3743 -3.1657 -3.1657 -3.1610 -3.1610 2.6109 2.6109 2.6186 2.6186 5.3733 5.3733 5.3929 5.3929 5.6274 5.6274 5.6666 5.6666 11.3199 11.3199 11.3262 11.3262 12.6531 12.6531 12.6914 12.6914 k = 0.1726 0.2990 0.3049 ( 2520 PWs) bands (ev): -6.9485 -6.9485 -6.9138 -6.9138 -6.8712 -6.8712 -6.8609 -6.8609 -6.5206 -6.5206 -6.4682 -6.4682 -6.4130 -6.4130 -6.4018 -6.4018 -6.3900 -6.3900 -6.3748 -6.3748 -3.2281 -3.2281 -3.2233 -3.2233 2.7158 2.7158 2.7237 2.7237 5.4395 5.4395 5.4565 5.4565 5.6352 5.6352 5.6800 5.6800 11.3521 11.3521 11.3576 11.3576 12.6069 12.6069 12.6495 12.6495 k = 0.1667 0.2887 0.3049 ( 2524 PWs) bands (ev): -6.9474 -6.9474 -6.9134 -6.9134 -6.8715 -6.8715 -6.8616 -6.8616 -6.5202 -6.5202 -6.4684 -6.4684 -6.4130 -6.4130 -6.4024 -6.4024 -6.3900 -6.3900 -6.3754 -6.3754 -3.2893 -3.2893 -3.2844 -3.2844 2.8203 2.8203 2.8284 2.8284 5.4780 5.4780 5.4944 5.4944 5.6756 5.6756 5.7220 5.7220 11.3807 11.3807 11.3859 11.3859 12.5592 12.5592 12.6063 12.6063 k = 0.1607 0.2784 0.3049 ( 2524 PWs) bands (ev): -6.9462 -6.9462 -6.9130 -6.9130 -6.8718 -6.8718 -6.8624 -6.8624 -6.5197 -6.5197 -6.4686 -6.4686 -6.4129 -6.4129 -6.4031 -6.4031 -6.3898 -6.3898 -6.3760 -6.3760 -3.3493 -3.3493 -3.3443 -3.3443 2.9237 2.9237 2.9320 2.9320 5.4928 5.4928 5.5104 5.5104 5.7452 5.7452 5.7891 5.7891 11.4055 11.4055 11.4112 11.4112 12.5103 12.5103 12.5619 12.5619 k = 0.1548 0.2681 0.3049 ( 2524 PWs) bands (ev): -6.9451 -6.9451 -6.9125 -6.9125 -6.8721 -6.8721 -6.8631 -6.8631 -6.5193 -6.5193 -6.4689 -6.4689 -6.4128 -6.4128 -6.4038 -6.4038 -6.3896 -6.3896 -6.3766 -6.3766 -3.4078 -3.4078 -3.4027 -3.4027 3.0252 3.0252 3.0338 3.0338 5.4984 5.4984 5.5183 5.5183 5.8283 5.8283 5.8695 5.8695 11.4262 11.4262 11.4337 11.4337 12.4603 12.4603 12.5164 12.5164 k = 0.1488 0.2577 0.3049 ( 2532 PWs) bands (ev): -6.9439 -6.9439 -6.9121 -6.9121 -6.8725 -6.8725 -6.8639 -6.8639 -6.5188 -6.5188 -6.4691 -6.4691 -6.4127 -6.4127 -6.4045 -6.4045 -6.3895 -6.3895 -6.3772 -6.3772 -3.4649 -3.4649 -3.4597 -3.4597 3.1240 3.1240 3.1328 3.1328 5.5039 5.5039 5.5260 5.5260 5.9165 5.9165 5.9556 5.9556 11.4432 11.4432 11.4530 11.4530 12.4097 12.4097 12.4702 12.4702 k = 0.1429 0.2474 0.3049 ( 2536 PWs) bands (ev): -6.9427 -6.9427 -6.9117 -6.9117 -6.8730 -6.8730 -6.8647 -6.8647 -6.5183 -6.5183 -6.4694 -6.4694 -6.4127 -6.4127 -6.4052 -6.4052 -6.3892 -6.3892 -6.3778 -6.3778 -3.5203 -3.5203 -3.5150 -3.5150 3.2192 3.2192 3.2283 3.2283 5.5136 5.5136 5.5375 5.5375 6.0062 6.0062 6.0438 6.0438 11.4566 11.4566 11.4692 11.4692 12.3592 12.3592 12.4239 12.4239 k = 0.1369 0.2371 0.3049 ( 2532 PWs) bands (ev): -6.9414 -6.9414 -6.9112 -6.9112 -6.8734 -6.8734 -6.8654 -6.8654 -6.5178 -6.5178 -6.4697 -6.4697 -6.4126 -6.4126 -6.4059 -6.4059 -6.3889 -6.3889 -6.3784 -6.3784 -3.5740 -3.5740 -3.5686 -3.5686 3.3099 3.3099 3.3193 3.3193 5.5295 5.5295 5.5550 5.5550 6.0961 6.0961 6.1324 6.1324 11.4664 11.4664 11.4821 11.4821 12.3096 12.3096 12.3784 12.3784 k = 0.1310 0.2268 0.3049 ( 2536 PWs) bands (ev): -6.9401 -6.9401 -6.9108 -6.9108 -6.8739 -6.8739 -6.8662 -6.8662 -6.5172 -6.5172 -6.4701 -6.4701 -6.4125 -6.4125 -6.4066 -6.4066 -6.3886 -6.3886 -6.3790 -6.3790 -3.6259 -3.6259 -3.6205 -3.6205 3.3953 3.3953 3.4050 3.4050 5.5531 5.5531 5.5800 5.5800 6.1851 6.1851 6.2204 6.2204 11.4725 11.4725 11.4915 11.4915 12.2617 12.2617 12.3344 12.3344 k = 0.1250 0.2165 0.3049 ( 2528 PWs) bands (ev): -6.9388 -6.9388 -6.9103 -6.9103 -6.8745 -6.8745 -6.8670 -6.8670 -6.5165 -6.5165 -6.4704 -6.4704 -6.4124 -6.4124 -6.4073 -6.4073 -6.3883 -6.3883 -6.3795 -6.3795 -3.6759 -3.6759 -3.6704 -3.6704 3.4745 3.4745 3.4843 3.4843 5.5855 5.5855 5.6135 5.6135 6.2728 6.2728 6.3070 6.3070 11.4747 11.4747 11.4969 11.4969 12.2167 12.2167 12.2929 12.2929 k = 0.1190 0.2062 0.3049 ( 2520 PWs) bands (ev): -6.9375 -6.9375 -6.9098 -6.9098 -6.8750 -6.8750 -6.8678 -6.8678 -6.5158 -6.5158 -6.4708 -6.4708 -6.4124 -6.4124 -6.4079 -6.4079 -6.3879 -6.3879 -6.3801 -6.3801 -3.7240 -3.7240 -3.7185 -3.7185 3.5468 3.5468 3.5567 3.5567 5.6273 5.6273 5.6563 5.6563 6.3586 6.3586 6.3918 6.3918 11.4723 11.4723 11.4975 11.4975 12.1759 12.1759 12.2551 12.2551 k = 0.1131 0.1959 0.3049 ( 2516 PWs) bands (ev): -6.9361 -6.9361 -6.9093 -6.9093 -6.8756 -6.8756 -6.8687 -6.8687 -6.5150 -6.5150 -6.4712 -6.4712 -6.4124 -6.4124 -6.4085 -6.4085 -6.3875 -6.3875 -6.3806 -6.3806 -3.7701 -3.7701 -3.7645 -3.7645 3.6116 3.6116 3.6216 3.6216 5.6792 5.6792 5.7089 5.7089 6.4421 6.4421 6.4744 6.4744 11.4646 11.4646 11.4920 11.4920 12.1407 12.1407 12.2221 12.2221 k = 0.1071 0.1856 0.3049 ( 2516 PWs) bands (ev): -6.9347 -6.9347 -6.9088 -6.9088 -6.8763 -6.8763 -6.8696 -6.8696 -6.5142 -6.5142 -6.4717 -6.4717 -6.4124 -6.4124 -6.4091 -6.4091 -6.3872 -6.3872 -6.3810 -6.3810 -3.8141 -3.8141 -3.8085 -3.8085 3.6689 3.6689 3.6788 3.6788 5.7411 5.7411 5.7713 5.7714 6.5231 6.5231 6.5543 6.5543 11.4505 11.4505 11.4791 11.4791 12.1129 12.1129 12.1951 12.1951 k = 0.1012 0.1753 0.3049 ( 2520 PWs) bands (ev): -6.9334 -6.9334 -6.9084 -6.9084 -6.8769 -6.8769 -6.8706 -6.8706 -6.5133 -6.5133 -6.4722 -6.4722 -6.4125 -6.4125 -6.4097 -6.4097 -6.3868 -6.3868 -6.3815 -6.3815 -3.8559 -3.8559 -3.8504 -3.8504 3.7184 3.7184 3.7281 3.7281 5.8130 5.8130 5.8435 5.8435 6.6012 6.6012 6.6313 6.6313 11.4290 11.4290 11.4574 11.4574 12.0937 12.0937 12.1751 12.1751 k = 0.0952 0.1650 0.3049 ( 2524 PWs) bands (ev): -6.9320 -6.9320 -6.9079 -6.9079 -6.8776 -6.8776 -6.8716 -6.8716 -6.5123 -6.5123 -6.4727 -6.4727 -6.4127 -6.4127 -6.4103 -6.4103 -6.3864 -6.3864 -6.3819 -6.3819 -3.8956 -3.8956 -3.8902 -3.8902 3.7606 3.7606 3.7699 3.7699 5.8942 5.8942 5.9247 5.9247 6.6761 6.6761 6.7050 6.7050 11.3992 11.3992 11.4259 11.4259 12.0840 12.0840 12.1630 12.1630 k = 0.0893 0.1546 0.3049 ( 2528 PWs) bands (ev): -6.9305 -6.9305 -6.9074 -6.9074 -6.8783 -6.8783 -6.8727 -6.8727 -6.5113 -6.5113 -6.4733 -6.4733 -6.4129 -6.4129 -6.4108 -6.4108 -6.3861 -6.3861 -6.3822 -6.3822 -3.9331 -3.9331 -3.9277 -3.9277 3.7959 3.7959 3.8048 3.8048 5.9840 5.9840 6.0143 6.0143 6.7475 6.7475 6.7752 6.7752 11.3603 11.3603 11.3841 11.3841 12.0841 12.0841 12.1591 12.1591 k = 0.0833 0.1443 0.3049 ( 2532 PWs) bands (ev): -6.9291 -6.9291 -6.9070 -6.9070 -6.8790 -6.8790 -6.8738 -6.8738 -6.5102 -6.5102 -6.4739 -6.4739 -6.4131 -6.4131 -6.4112 -6.4112 -6.3858 -6.3858 -6.3825 -6.3825 -3.9683 -3.9683 -3.9631 -3.9631 3.8249 3.8249 3.8333 3.8333 6.0812 6.0812 6.1111 6.1111 6.8153 6.8153 6.8416 6.8416 11.3123 11.3123 11.3324 11.3324 12.0933 12.0933 12.1632 12.1632 k = 0.0774 0.1340 0.3049 ( 2528 PWs) bands (ev): -6.9276 -6.9276 -6.9065 -6.9065 -6.8798 -6.8798 -6.8750 -6.8750 -6.5090 -6.5090 -6.4746 -6.4746 -6.4134 -6.4134 -6.4116 -6.4116 -6.3854 -6.3854 -6.3827 -6.3827 -4.0012 -4.0012 -3.9961 -3.9961 3.8483 3.8483 3.8561 3.8561 6.1847 6.1847 6.2140 6.2140 6.8792 6.8792 6.9041 6.9041 11.2552 11.2552 11.2714 11.2714 12.1105 12.1105 12.1748 12.1748 k = 0.0714 0.1237 0.3049 ( 2532 PWs) bands (ev): -6.9261 -6.9261 -6.9061 -6.9061 -6.8805 -6.8805 -6.8762 -6.8762 -6.5078 -6.5078 -6.4753 -6.4753 -6.4137 -6.4137 -6.4120 -6.4120 -6.3851 -6.3851 -6.3830 -6.3830 -4.0318 -4.0318 -4.0269 -4.0269 3.8670 3.8670 3.8742 3.8742 6.2930 6.2930 6.3215 6.3215 6.9389 6.9389 6.9623 6.9623 11.1896 11.1896 11.2020 11.2020 12.1344 12.1344 12.1930 12.1930 k = 0.0655 0.1134 0.3049 ( 2532 PWs) bands (ev): -6.9245 -6.9245 -6.9057 -6.9057 -6.8812 -6.8812 -6.8775 -6.8775 -6.5064 -6.5064 -6.4761 -6.4761 -6.4140 -6.4140 -6.4123 -6.4123 -6.3848 -6.3848 -6.3831 -6.3831 -4.0600 -4.0600 -4.0553 -4.0553 3.8816 3.8816 3.8881 3.8881 6.4046 6.4046 6.4322 6.4322 6.9945 6.9945 7.0163 7.0163 11.1163 11.1163 11.1254 11.1254 12.1636 12.1636 12.2165 12.2165 k = 0.0595 0.1031 0.3049 ( 2528 PWs) bands (ev): -6.9230 -6.9230 -6.9054 -6.9054 -6.8819 -6.8819 -6.8787 -6.8787 -6.5050 -6.5050 -6.4770 -6.4770 -6.4142 -6.4142 -6.4126 -6.4126 -6.3845 -6.3845 -6.3832 -6.3832 -4.0858 -4.0858 -4.0814 -4.0814 3.8929 3.8929 3.8987 3.8987 6.5179 6.5179 6.5444 6.5444 7.0457 7.0457 7.0658 7.0658 11.0366 11.0366 11.0430 11.0430 12.1968 12.1968 12.2442 12.2442 k = 0.0536 0.0928 0.3049 ( 2528 PWs) bands (ev): -6.9214 -6.9214 -6.9051 -6.9051 -6.8826 -6.8826 -6.8799 -6.8799 -6.5036 -6.5036 -6.4779 -6.4779 -6.4145 -6.4145 -6.4130 -6.4130 -6.3842 -6.3842 -6.3833 -6.3833 -4.1092 -4.1092 -4.1051 -4.1051 3.9014 3.9014 3.9066 3.9066 6.6311 6.6311 6.6564 6.6564 7.0925 7.0925 7.1107 7.1107 10.9520 10.9520 10.9563 10.9563 12.2326 12.2326 12.2747 12.2747 k = 0.0476 0.0825 0.3049 ( 2524 PWs) bands (ev): -6.9199 -6.9199 -6.9048 -6.9048 -6.8832 -6.8832 -6.8811 -6.8811 -6.5021 -6.5021 -6.4789 -6.4789 -6.4147 -6.4147 -6.4133 -6.4133 -6.3839 -6.3839 -6.3833 -6.3833 -4.1301 -4.1301 -4.1264 -4.1264 3.9077 3.9077 3.9123 3.9123 6.7425 6.7425 6.7662 6.7662 7.1347 7.1347 7.1512 7.1512 10.8642 10.8642 10.8674 10.8674 12.2697 12.2697 12.3067 12.3067 k = 0.0417 0.0722 0.3049 ( 2516 PWs) bands (ev): -6.9183 -6.9183 -6.9047 -6.9047 -6.8838 -6.8838 -6.8822 -6.8822 -6.5005 -6.5005 -6.4800 -6.4800 -6.4149 -6.4149 -6.4135 -6.4135 -6.3837 -6.3837 -6.3833 -6.3833 -4.1486 -4.1486 -4.1453 -4.1453 3.9123 3.9123 3.9163 3.9163 6.8498 6.8498 6.8718 6.8718 7.1725 7.1725 7.1870 7.1870 10.7756 10.7756 10.7785 10.7785 12.3067 12.3067 12.3387 12.3387 k = 0.0357 0.0619 0.3049 ( 2510 PWs) bands (ev): -6.9167 -6.9167 -6.9047 -6.9047 -6.8844 -6.8844 -6.8833 -6.8833 -6.4990 -6.4990 -6.4811 -6.4811 -6.4151 -6.4151 -6.4138 -6.4138 -6.3835 -6.3835 -6.3833 -6.3833 -4.1646 -4.1646 -4.1617 -4.1617 3.9156 3.9156 3.9190 3.9190 6.9506 6.9506 6.9706 6.9706 7.2060 7.2060 7.2184 7.2184 10.6891 10.6891 10.6922 10.6922 12.3421 12.3421 12.3691 12.3691 k = 0.0298 0.0515 0.3049 ( 2506 PWs) bands (ev): -6.9151 -6.9151 -6.9048 -6.9048 -6.8849 -6.8849 -6.8842 -6.8842 -6.4973 -6.4973 -6.4823 -6.4823 -6.4152 -6.4152 -6.4141 -6.4141 -6.3834 -6.3834 -6.3832 -6.3832 -4.1782 -4.1782 -4.1757 -4.1757 3.9180 3.9180 3.9207 3.9207 7.0423 7.0423 7.0599 7.0599 7.2353 7.2353 7.2456 7.2456 10.6078 10.6078 10.6111 10.6111 12.3743 12.3743 12.3963 12.3963 k = 0.0238 0.0412 0.3049 ( 2498 PWs) bands (ev): -6.9136 -6.9136 -6.9051 -6.9051 -6.8854 -6.8854 -6.8850 -6.8850 -6.4957 -6.4957 -6.4836 -6.4836 -6.4152 -6.4152 -6.4143 -6.4143 -6.3832 -6.3832 -6.3831 -6.3831 -4.1892 -4.1892 -4.1872 -4.1872 3.9196 3.9196 3.9218 3.9218 7.1216 7.1216 7.1364 7.1364 7.2611 7.2611 7.2690 7.2690 10.5352 10.5352 10.5384 10.5384 12.4013 12.4013 12.4179 12.4179 k = 0.0179 0.0309 0.3049 ( 2492 PWs) bands (ev): -6.9121 -6.9121 -6.9056 -6.9056 -6.8858 -6.8858 -6.8856 -6.8856 -6.4941 -6.4941 -6.4849 -6.4849 -6.4152 -6.4152 -6.4145 -6.4145 -6.3831 -6.3831 -6.3831 -6.3831 -4.1978 -4.1978 -4.1962 -4.1962 3.9207 3.9207 3.9223 3.9223 7.1850 7.1850 7.1963 7.1963 7.2844 7.2844 7.2896 7.2896 10.4744 10.4744 10.4773 10.4773 12.4209 12.4209 12.4315 12.4315 k = 0.0119 0.0206 0.3049 ( 2492 PWs) bands (ev): -6.9107 -6.9107 -6.9063 -6.9063 -6.8861 -6.8861 -6.8861 -6.8861 -6.4925 -6.4925 -6.4863 -6.4863 -6.4152 -6.4152 -6.4147 -6.4147 -6.3831 -6.3831 -6.3831 -6.3831 -4.2038 -4.2038 -4.2028 -4.2028 3.9214 3.9214 3.9225 3.9225 7.2290 7.2290 7.2359 7.2359 7.3062 7.3062 7.3083 7.3083 10.4286 10.4286 10.4307 10.4307 12.4313 12.4313 12.4365 12.4365 k = 0.0060 0.0103 0.3049 ( 2484 PWs) bands (ev): -6.9094 -6.9094 -6.9071 -6.9071 -6.8863 -6.8863 -6.8863 -6.8863 -6.4909 -6.4909 -6.4878 -6.4878 -6.4151 -6.4151 -6.4149 -6.4149 -6.3830 -6.3830 -6.3830 -6.3830 -4.2073 -4.2073 -4.2068 -4.2068 3.9219 3.9219 3.9225 3.9225 7.2531 7.2531 7.2561 7.2561 7.3232 7.3232 7.3235 7.3235 10.4002 10.4002 10.4013 10.4014 12.4344 12.4344 12.4364 12.4364 k = 0.0000 0.0000 0.3049 ( 2484 PWs) bands (ev): -6.9082 -6.9082 -6.9082 -6.9082 -6.8864 -6.8864 -6.8864 -6.8864 -6.4893 -6.4893 -6.4893 -6.4893 -6.4150 -6.4150 -6.4150 -6.4150 -6.3830 -6.3830 -6.3830 -6.3830 -4.2083 -4.2083 -4.2083 -4.2083 3.9223 3.9223 3.9223 3.9223 7.2612 7.2612 7.2612 7.2612 7.3297 7.3297 7.3297 7.3297 10.3910 10.3910 10.3910 10.3910 12.4352 12.4352 12.4352 12.4352 k = 0.5000 0.2887 0.3049 ( 2492 PWs) bands (ev): -6.9415 -6.9415 -6.9415 -6.9415 -6.8639 -6.8639 -6.8639 -6.8639 -6.4908 -6.4908 -6.4908 -6.4908 -6.4122 -6.4122 -6.4122 -6.4122 -6.3701 -6.3701 -6.3701 -6.3701 -2.3261 -2.3261 -2.3261 -2.3261 1.0007 1.0007 1.0007 1.0007 5.7360 5.7360 5.7360 5.7360 5.7823 5.7823 5.7823 5.7823 9.8212 9.8212 9.8212 9.8212 11.0428 11.0428 11.0428 11.0428 k = 0.5000 0.2887 0.2932 ( 2492 PWs) bands (ev): -6.9431 -6.9431 -6.9400 -6.9400 -6.8647 -6.8647 -6.8630 -6.8630 -6.4932 -6.4932 -6.4884 -6.4884 -6.4128 -6.4128 -6.4115 -6.4115 -6.3709 -6.3709 -6.3693 -6.3693 -2.3603 -2.3603 -2.2916 -2.2916 0.9638 0.9638 1.0407 1.0407 5.6516 5.6516 5.7244 5.7244 5.8047 5.8047 5.8487 5.8487 9.7769 9.7769 9.8603 9.8603 11.0504 11.0504 11.0556 11.0556 k = 0.5000 0.2887 0.2815 ( 2488 PWs) bands (ev): -6.9447 -6.9447 -6.9384 -6.9384 -6.8656 -6.8656 -6.8621 -6.8621 -6.4955 -6.4955 -6.4860 -6.4860 -6.4134 -6.4134 -6.4109 -6.4109 -6.3718 -6.3718 -6.3685 -6.3685 -2.3942 -2.3942 -2.2572 -2.2572 0.9301 0.9301 1.0835 1.0835 5.5549 5.5549 5.6750 5.6750 5.8594 5.8594 5.9190 5.9190 9.7321 9.7321 9.8901 9.8901 11.0812 11.0812 11.0856 11.0856 k = 0.5000 0.2887 0.2698 ( 2494 PWs) bands (ev): -6.9463 -6.9463 -6.9368 -6.9368 -6.8665 -6.8665 -6.8613 -6.8613 -6.4979 -6.4979 -6.4837 -6.4837 -6.4140 -6.4140 -6.4102 -6.4102 -6.3727 -6.3727 -6.3678 -6.3678 -2.4277 -2.4277 -2.2228 -2.2228 0.8997 0.8997 1.1290 1.1290 5.4514 5.4514 5.6278 5.6278 5.9114 5.9114 5.9822 5.9822 9.6913 9.6913 9.9079 9.9079 11.1281 11.1281 11.1378 11.1378 k = 0.5000 0.2887 0.2580 ( 2488 PWs) bands (ev): -6.9478 -6.9478 -6.9352 -6.9352 -6.8673 -6.8673 -6.8604 -6.8604 -6.5003 -6.5003 -6.4813 -6.4813 -6.4145 -6.4145 -6.4095 -6.4095 -6.3735 -6.3735 -6.3671 -6.3671 -2.4605 -2.4605 -2.1888 -2.1888 0.8728 0.8728 1.1769 1.1769 5.3431 5.3431 5.5824 5.5824 5.9625 5.9625 6.0350 6.0350 9.6584 9.6584 9.9134 9.9134 11.1822 11.1822 11.2180 11.2180 k = 0.5000 0.2887 0.2463 ( 2488 PWs) bands (ev): -6.9494 -6.9494 -6.9337 -6.9337 -6.8682 -6.8682 -6.8596 -6.8596 -6.5026 -6.5026 -6.4790 -6.4790 -6.4151 -6.4151 -6.4088 -6.4088 -6.3744 -6.3744 -6.3665 -6.3665 -2.4926 -2.4926 -2.1553 -2.1553 0.8494 0.8494 1.2272 1.2272 5.2314 5.2314 5.5387 5.5387 6.0123 6.0123 6.0764 6.0764 9.6364 9.6364 9.9076 9.9076 11.2446 11.2446 11.3207 11.3207 k = 0.5000 0.2887 0.2346 ( 2484 PWs) bands (ev): -6.9509 -6.9509 -6.9322 -6.9322 -6.8690 -6.8690 -6.8588 -6.8588 -6.5049 -6.5049 -6.4768 -6.4768 -6.4156 -6.4156 -6.4081 -6.4081 -6.3754 -6.3754 -6.3659 -6.3659 -2.5239 -2.5239 -2.1224 -2.1224 0.8297 0.8297 1.2795 1.2795 5.1175 5.1175 5.4965 5.4965 6.0577 6.0577 6.1087 6.1087 9.6274 9.6274 9.8929 9.8929 11.3133 11.3133 11.4427 11.4427 k = 0.5000 0.2887 0.2228 ( 2486 PWs) bands (ev): -6.9523 -6.9523 -6.9307 -6.9307 -6.8699 -6.8699 -6.8580 -6.8580 -6.5071 -6.5071 -6.4746 -6.4746 -6.4161 -6.4161 -6.4074 -6.4074 -6.3763 -6.3763 -6.3653 -6.3653 -2.5542 -2.5542 -2.0904 -2.0904 0.8136 0.8136 1.3337 1.3337 5.0023 5.0023 5.4560 5.4560 6.0882 6.0882 6.1420 6.1420 9.6328 9.6328 9.8714 9.8714 11.3870 11.3870 11.5808 11.5808 k = 0.5000 0.2887 0.2111 ( 2496 PWs) bands (ev): -6.9538 -6.9538 -6.9292 -6.9292 -6.8707 -6.8707 -6.8572 -6.8572 -6.5093 -6.5093 -6.4725 -6.4725 -6.4166 -6.4166 -6.4066 -6.4066 -6.3773 -6.3773 -6.3649 -6.3649 -2.5834 -2.5834 -2.0593 -2.0593 0.8013 0.8013 1.3894 1.3894 4.8866 4.8866 5.4172 5.4172 6.0945 6.0945 6.1855 6.1855 9.6530 9.6530 9.8456 9.8456 11.4642 11.4642 11.7321 11.7321 k = 0.5000 0.2887 0.1994 ( 2504 PWs) bands (ev): -6.9552 -6.9552 -6.9278 -6.9278 -6.8716 -6.8716 -6.8565 -6.8565 -6.5114 -6.5114 -6.4705 -6.4705 -6.4171 -6.4171 -6.4059 -6.4059 -6.3782 -6.3782 -6.3644 -6.3644 -2.6115 -2.6115 -2.0294 -2.0294 0.7927 0.7927 1.4464 1.4464 4.7712 4.7712 5.3802 5.3802 6.0827 6.0827 6.2337 6.2337 9.6880 9.6880 9.8169 9.8169 11.5437 11.5437 11.8946 11.8946 k = 0.5000 0.2887 0.1877 ( 2496 PWs) bands (ev): -6.9566 -6.9566 -6.9264 -6.9264 -6.8723 -6.8723 -6.8557 -6.8557 -6.5134 -6.5134 -6.4685 -6.4685 -6.4175 -6.4175 -6.4051 -6.4051 -6.3791 -6.3791 -6.3640 -6.3640 -2.6384 -2.6384 -2.0007 -2.0007 0.7877 0.7877 1.5043 1.5043 4.6568 4.6568 5.3450 5.3450 6.0576 6.0576 6.2830 6.2830 9.7365 9.7365 9.7875 9.7875 11.6243 11.6243 12.0663 12.0663 k = 0.5000 0.2887 0.1759 ( 2496 PWs) bands (ev): -6.9579 -6.9579 -6.9250 -6.9250 -6.8731 -6.8731 -6.8550 -6.8550 -6.5154 -6.5154 -6.4666 -6.4666 -6.4179 -6.4179 -6.4043 -6.4043 -6.3800 -6.3800 -6.3636 -6.3636 -2.6640 -2.6640 -1.9735 -1.9735 0.7863 0.7863 1.5629 1.5629 4.5441 4.5441 5.3116 5.3116 6.0215 6.0215 6.3319 6.3319 9.7541 9.7541 9.8014 9.8014 11.7045 11.7045 12.2455 12.2455 k = 0.5000 0.2887 0.1642 ( 2504 PWs) bands (ev): -6.9591 -6.9591 -6.9237 -6.9237 -6.8739 -6.8739 -6.8544 -6.8544 -6.5173 -6.5173 -6.4648 -6.4648 -6.4183 -6.4183 -6.4036 -6.4036 -6.3809 -6.3809 -6.3633 -6.3633 -2.6881 -2.6881 -1.9479 -1.9479 0.7883 0.7883 1.6218 1.6218 4.4338 4.4338 5.2802 5.2802 5.9767 5.9767 6.3799 6.3799 9.7247 9.7247 9.8743 9.8743 11.7827 11.7827 12.4311 12.4311 k = 0.5000 0.2887 0.1525 ( 2510 PWs) bands (ev): -6.9603 -6.9603 -6.9225 -6.9225 -6.8747 -6.8747 -6.8537 -6.8537 -6.5191 -6.5191 -6.4631 -6.4631 -6.4187 -6.4187 -6.4028 -6.4028 -6.3819 -6.3819 -6.3631 -6.3631 -2.7109 -2.7109 -1.9238 -1.9238 0.7935 0.7935 1.6805 1.6805 4.3265 4.3265 5.2507 5.2507 5.9249 5.9249 6.4266 6.4266 9.6953 9.6953 9.9579 9.9579 11.8573 11.8573 12.6219 12.6219 k = 0.5000 0.2887 0.1407 ( 2510 PWs) bands (ev): -6.9614 -6.9614 -6.9213 -6.9213 -6.8754 -6.8754 -6.8531 -6.8531 -6.5208 -6.5208 -6.4615 -6.4615 -6.4190 -6.4190 -6.4020 -6.4020 -6.3827 -6.3827 -6.3628 -6.3628 -2.7322 -2.7322 -1.9015 -1.9015 0.8015 0.8015 1.7386 1.7386 4.2229 4.2229 5.2232 5.2232 5.8682 5.8682 6.4716 6.4716 9.6671 9.6671 10.0503 10.0503 11.9262 11.9262 12.8170 12.8170 k = 0.5000 0.2887 0.1290 ( 2514 PWs) bands (ev): -6.9625 -6.9625 -6.9201 -6.9201 -6.8761 -6.8761 -6.8526 -6.8526 -6.5224 -6.5224 -6.4601 -6.4601 -6.4193 -6.4193 -6.4012 -6.4012 -6.3836 -6.3836 -6.3626 -6.3626 -2.7519 -2.7519 -1.8810 -1.8810 0.8121 0.8121 1.7956 1.7956 4.1236 4.1236 5.1978 5.1978 5.8082 5.8082 6.5146 6.5146 9.6404 9.6404 10.1498 10.1498 11.9872 11.9872 13.0154 13.0154 k = 0.5000 0.2887 0.1173 ( 2512 PWs) bands (ev): -6.9635 -6.9635 -6.9190 -6.9190 -6.8768 -6.8768 -6.8520 -6.8520 -6.5238 -6.5238 -6.4587 -6.4587 -6.4196 -6.4196 -6.4004 -6.4004 -6.3845 -6.3845 -6.3625 -6.3625 -2.7700 -2.7700 -1.8623 -1.8623 0.8248 0.8248 1.8509 1.8509 4.0292 4.0292 5.1745 5.1745 5.7469 5.7469 6.5553 6.5553 9.6155 9.6155 10.2548 10.2548 12.0380 12.0380 13.1194 13.1194 k = 0.5000 0.2887 0.1056 ( 2514 PWs) bands (ev): -6.9643 -6.9643 -6.9180 -6.9180 -6.8774 -6.8774 -6.8516 -6.8516 -6.5252 -6.5252 -6.4574 -6.4574 -6.4198 -6.4198 -6.3996 -6.3996 -6.3853 -6.3853 -6.3624 -6.3624 -2.7866 -2.7866 -1.8455 -1.8455 0.8392 0.8392 1.9041 1.9041 3.9406 3.9406 5.1533 5.1533 5.6856 5.6856 6.5933 6.5933 9.5926 9.5926 10.3638 10.3638 12.0758 12.0758 13.0395 13.0395 k = 0.5000 0.2887 0.0938 ( 2506 PWs) bands (ev): -6.9651 -6.9651 -6.9171 -6.9171 -6.8779 -6.8779 -6.8511 -6.8511 -6.5264 -6.5264 -6.4563 -6.4563 -6.4200 -6.4200 -6.3988 -6.3988 -6.3861 -6.3861 -6.3622 -6.3622 -2.8014 -2.8014 -1.8305 -1.8305 0.8546 0.8546 1.9544 1.9544 3.8585 3.8585 5.1342 5.1342 5.6261 5.6261 6.6284 6.6284 9.5718 9.5718 10.4754 10.4754 12.0988 12.0988 12.9664 12.9664 k = 0.5000 0.2887 0.0821 ( 2510 PWs) bands (ev): -6.9659 -6.9659 -6.9162 -6.9162 -6.8785 -6.8785 -6.8507 -6.8507 -6.5274 -6.5274 -6.4553 -6.4553 -6.4202 -6.4202 -6.3981 -6.3981 -6.3869 -6.3869 -6.3622 -6.3622 -2.8146 -2.8146 -1.8173 -1.8173 0.8705 0.8705 2.0011 2.0011 3.7835 3.7835 5.1173 5.1173 5.5697 5.5697 6.6602 6.6602 9.5532 9.5532 10.5878 10.5878 12.1055 12.1055 12.9010 12.9010 k = 0.5000 0.2887 0.0704 ( 2508 PWs) bands (ev): -6.9665 -6.9665 -6.9155 -6.9155 -6.8790 -6.8790 -6.8504 -6.8504 -6.5284 -6.5284 -6.4544 -6.4544 -6.4204 -6.4204 -6.3973 -6.3973 -6.3876 -6.3876 -6.3621 -6.3621 -2.8261 -2.8261 -1.8060 -1.8060 0.8862 0.8862 2.0436 2.0436 3.7164 3.7164 5.1026 5.1026 5.5177 5.5177 6.6884 6.6884 9.5370 9.5370 10.6996 10.6996 12.0958 12.0958 12.8435 12.8435 k = 0.5000 0.2887 0.0586 ( 2508 PWs) bands (ev): -6.9670 -6.9670 -6.9148 -6.9148 -6.8794 -6.8794 -6.8501 -6.8501 -6.5292 -6.5292 -6.4537 -6.4537 -6.4205 -6.4205 -6.3966 -6.3966 -6.3883 -6.3883 -6.3621 -6.3621 -2.8358 -2.8358 -1.7965 -1.7965 0.9010 0.9010 2.0811 2.0811 3.6581 3.6581 5.0901 5.0901 5.4714 5.4714 6.7128 6.7128 9.5232 9.5232 10.8084 10.8084 12.0710 12.0710 12.7943 12.7943 k = 0.5000 0.2887 0.0469 ( 2508 PWs) bands (ev): -6.9675 -6.9675 -6.9143 -6.9143 -6.8798 -6.8798 -6.8498 -6.8498 -6.5299 -6.5299 -6.4531 -6.4531 -6.4206 -6.4206 -6.3958 -6.3958 -6.3890 -6.3890 -6.3621 -6.3621 -2.8438 -2.8438 -1.7887 -1.7887 0.9143 0.9143 2.1129 2.1129 3.6091 3.6091 5.0798 5.0798 5.4318 5.4318 6.7332 6.7332 9.5118 9.5118 10.9112 10.9112 12.0343 12.0343 12.7537 12.7537 k = 0.5000 0.2887 0.0352 ( 2508 PWs) bands (ev): -6.9678 -6.9678 -6.9138 -6.9138 -6.8800 -6.8800 -6.8496 -6.8496 -6.5304 -6.5304 -6.4526 -6.4526 -6.4207 -6.4207 -6.3952 -6.3952 -6.3897 -6.3897 -6.3621 -6.3621 -2.8501 -2.8501 -1.7827 -1.7827 0.9254 0.9254 2.1385 2.1385 3.5702 3.5702 5.0719 5.0719 5.3999 5.3999 6.7492 6.7492 9.5030 9.5030 11.0041 11.0041 11.9910 11.9910 12.7218 12.7218 k = 0.5000 0.2887 0.0235 ( 2512 PWs) bands (ev): -6.9681 -6.9681 -6.9135 -6.9135 -6.8803 -6.8803 -6.8495 -6.8495 -6.5308 -6.5308 -6.4523 -6.4523 -6.4208 -6.4208 -6.3946 -6.3946 -6.3903 -6.3903 -6.3620 -6.3620 -2.8545 -2.8545 -1.7785 -1.7785 0.9337 0.9337 2.1572 2.1572 3.5420 3.5420 5.0661 5.0661 5.3766 5.3766 6.7608 6.7608 9.4966 9.4966 11.0808 11.0808 11.9483 11.9483 12.6990 12.6990 k = 0.5000 0.2887 0.0117 ( 2522 PWs) bands (ev): -6.9682 -6.9682 -6.9133 -6.9133 -6.8804 -6.8804 -6.8495 -6.8495 -6.5310 -6.5310 -6.4521 -6.4521 -6.4209 -6.4209 -6.3942 -6.3942 -6.3908 -6.3908 -6.3621 -6.3621 -2.8572 -2.8572 -1.7759 -1.7759 0.9389 0.9389 2.1686 2.1686 3.5249 3.5249 5.0627 5.0627 5.3623 5.3623 6.7678 6.7678 9.4928 9.4928 11.1329 11.1329 11.9161 11.9161 12.6851 12.6851 k = 0.5000 0.2887-0.0000 ( 2514 PWs) bands (ev): -6.9683 -6.9683 -6.9133 -6.9133 -6.8805 -6.8805 -6.8494 -6.8494 -6.5311 -6.5311 -6.4521 -6.4521 -6.4209 -6.4209 -6.3940 -6.3940 -6.3909 -6.3909 -6.3620 -6.3620 -2.8581 -2.8581 -1.7751 -1.7751 0.9407 0.9407 2.1724 2.1724 3.5191 3.5191 5.0615 5.0615 5.3575 5.3575 6.7701 6.7701 9.4915 9.4915 11.1516 11.1516 11.9039 11.9039 12.6805 12.6805 k = 0.3333 0.5774-0.0000 ( 2490 PWs) bands (ev): -6.9672 -6.9672 -6.9613 -6.8734 -6.8734 -6.8537 -6.8451 -6.8451 -6.6122 -6.4780 -6.4499 -6.4499 -6.4211 -6.4211 -6.3970 -6.3906 -6.3906 -6.3851 -6.3693 -6.3693 -2.0681 -2.0669 -2.0669 -2.0657 1.7183 1.7235 1.7334 1.7334 2.9600 2.9600 4.6359 4.6693 4.6693 4.6766 4.9537 4.9537 10.0975 10.0975 13.3783 13.4244 13.4244 13.4297 14.9589 14.9589 k = 0.3333 0.5774 0.0117 ( 2478 PWs) bands (ev): -6.9672 -6.9672 -6.9612 -6.8733 -6.8733 -6.8538 -6.8451 -6.8451 -6.6120 -6.4780 -6.4499 -6.4499 -6.4210 -6.4210 -6.3970 -6.3906 -6.3906 -6.3851 -6.3693 -6.3693 -2.0677 -2.0665 -2.0665 -2.0654 1.7151 1.7203 1.7302 1.7302 2.9613 2.9613 4.6414 4.6747 4.6747 4.6821 4.9508 4.9508 10.1032 10.1032 13.3665 13.4120 13.4120 13.4171 14.9586 14.9586 k = 0.3333 0.5774 0.0235 ( 2487 PWs) bands (ev): -6.9672 -6.9672 -6.9610 -6.8733 -6.8733 -6.8543 -6.8451 -6.8451 -6.6115 -6.4783 -6.4503 -6.4503 -6.4208 -6.4208 -6.3970 -6.3906 -6.3906 -6.3851 -6.3693 -6.3693 -2.0666 -2.0654 -2.0654 -2.0643 1.7055 1.7108 1.7207 1.7207 2.9650 2.9650 4.6579 4.6908 4.6908 4.6984 4.9420 4.9420 10.1196 10.1196 13.3310 13.3748 13.3748 13.3793 14.9567 14.9568 k = 0.3333 0.5774 0.0352 ( 2487 PWs) bands (ev): -6.9672 -6.9672 -6.9606 -6.8732 -6.8732 -6.8551 -6.8451 -6.8451 -6.6105 -6.4786 -6.4508 -6.4508 -6.4203 -6.4203 -6.3971 -6.3906 -6.3906 -6.3852 -6.3693 -6.3693 -2.0647 -2.0636 -2.0636 -2.0625 1.6899 1.6954 1.7052 1.7052 2.9713 2.9713 4.6849 4.7171 4.7171 4.7251 4.9276 4.9276 10.1468 10.1468 13.2724 13.3136 13.3136 13.3169 14.8880 14.9358 k = 0.3333 0.5774 0.0469 ( 2487 PWs) bands (ev): -6.9671 -6.9671 -6.9601 -6.8731 -6.8731 -6.8561 -6.8451 -6.8451 -6.6091 -6.4791 -6.4515 -6.4515 -6.4198 -6.4198 -6.3971 -6.3906 -6.3906 -6.3853 -6.3693 -6.3693 -2.0622 -2.0610 -2.0610 -2.0600 1.6688 1.6743 1.6841 1.6841 2.9800 2.9800 4.7221 4.7526 4.7526 4.7619 4.9083 4.9083 10.1846 10.1846 13.1919 13.2296 13.2296 13.2312 14.8104 14.8680 k = 0.3333 0.5774 0.0586 ( 2487 PWs) bands (ev): -6.9671 -6.9671 -6.9595 -6.8730 -6.8730 -6.8575 -6.8451 -6.8451 -6.6074 -6.4797 -6.4523 -6.4523 -6.4191 -6.4191 -6.3971 -6.3906 -6.3906 -6.3855 -6.3693 -6.3693 -2.0590 -2.0578 -2.0578 -2.0568 1.6427 1.6483 1.6581 1.6581 2.9912 2.9912 4.7687 4.7948 4.7948 4.8079 4.8863 4.8863 10.2327 10.2327 13.0913 13.1247 13.1251 13.1251 14.7444 14.8048 k = 0.3333 0.5774 0.0704 ( 2484 PWs) bands (ev): -6.9670 -6.9670 -6.9586 -6.8728 -6.8728 -6.8590 -6.8450 -6.8450 -6.6054 -6.4805 -6.4532 -6.4532 -6.4184 -6.4184 -6.3972 -6.3906 -6.3906 -6.3857 -6.3693 -6.3693 -2.0551 -2.0540 -2.0540 -2.0530 1.6122 1.6180 1.6277 1.6277 3.0049 3.0049 4.8240 4.8243 4.8243 4.8625 4.8805 4.8805 10.2908 10.2908 12.9736 13.0004 13.0033 13.0033 14.6915 14.7527 k = 0.3333 0.5774 0.0821 ( 2496 PWs) bands (ev): -6.9670 -6.9670 -6.9578 -6.8727 -6.8727 -6.8609 -6.8450 -6.8450 -6.6031 -6.4815 -6.4543 -6.4543 -6.4177 -6.4177 -6.3973 -6.3907 -6.3907 -6.3859 -6.3693 -6.3693 -2.0506 -2.0496 -2.0496 -2.0486 1.5783 1.5841 1.5938 1.5938 3.0210 3.0210 4.8037 4.8037 4.8870 4.9249 4.9278 4.9278 10.3584 10.3584 12.8416 12.8621 12.8675 12.8675 14.6506 14.7116 k = 0.3333 0.5774 0.0938 ( 2496 PWs) bands (ev): -6.9669 -6.9669 -6.9567 -6.8725 -6.8725 -6.8630 -6.8450 -6.8450 -6.6004 -6.4826 -6.4554 -6.4554 -6.4168 -6.4168 -6.3973 -6.3907 -6.3907 -6.3862 -6.3693 -6.3693 -2.0456 -2.0446 -2.0446 -2.0437 1.5414 1.5474 1.5571 1.5571 3.0395 3.0395 4.7665 4.7665 4.9569 4.9940 4.9943 4.9943 10.4352 10.4352 12.6989 12.7134 12.7213 12.7213 14.6201 14.6803 k = 0.3333 0.5774 0.1056 ( 2502 PWs) bands (ev): -6.9668 -6.9668 -6.9555 -6.8723 -6.8723 -6.8653 -6.8450 -6.8450 -6.5975 -6.4839 -6.4566 -6.4566 -6.4160 -6.4160 -6.3973 -6.3907 -6.3907 -6.3865 -6.3693 -6.3693 -2.0402 -2.0392 -2.0392 -2.0383 1.5025 1.5086 1.5182 1.5182 3.0605 3.0605 4.7236 4.7236 5.0327 5.0685 5.0685 5.0689 10.5206 10.5206 12.5485 12.5577 12.5678 12.5678 14.5982 14.6571 k = 0.3333 0.5774 0.1173 ( 2502 PWs) bands (ev): -6.9667 -6.9667 -6.9541 -6.8720 -6.8720 -6.8677 -6.8449 -6.8449 -6.5943 -6.4853 -6.4577 -6.4577 -6.4152 -6.4152 -6.3973 -6.3907 -6.3907 -6.3868 -6.3692 -6.3692 -2.0343 -2.0333 -2.0333 -2.0326 1.4623 1.4683 1.4780 1.4780 3.0838 3.0838 4.6767 4.6767 5.1135 5.1482 5.1482 5.1488 10.6143 10.6143 12.3932 12.3977 12.4098 12.4098 14.5831 14.6369 k = 0.3333 0.5774 0.1290 ( 2502 PWs) bands (ev): -6.9667 -6.9667 -6.9527 -6.8718 -6.8718 -6.8704 -6.8449 -6.8449 -6.5910 -6.4868 -6.4589 -6.4589 -6.4144 -6.4144 -6.3974 -6.3908 -6.3908 -6.3871 -6.3692 -6.3692 -2.0280 -2.0271 -2.0271 -2.0264 1.4213 1.4273 1.4371 1.4371 3.1095 3.1095 4.6265 4.6265 5.1983 5.2321 5.2321 5.2326 10.7158 10.7158 12.2353 12.2359 12.2497 12.2497 14.5733 14.6235 k = 0.3333 0.5774 0.1407 ( 2502 PWs) bands (ev): -6.9666 -6.9666 -6.9511 -6.8731 -6.8715 -6.8715 -6.8448 -6.8448 -6.5874 -6.4886 -6.4600 -6.4600 -6.4136 -6.4136 -6.3973 -6.3908 -6.3908 -6.3875 -6.3691 -6.3691 -2.0215 -2.0207 -2.0207 -2.0201 1.3803 1.3862 1.3960 1.3960 3.1375 3.1375 4.5737 4.5737 5.2862 5.3191 5.3191 5.3193 10.8247 10.8247 12.0742 12.0768 12.0894 12.0894 14.5678 14.6144 k = 0.3333 0.5774 0.1525 ( 2502 PWs) bands (ev): -6.9665 -6.9665 -6.9494 -6.8760 -6.8713 -6.8713 -6.8448 -6.8448 -6.5837 -6.4905 -6.4612 -6.4612 -6.4129 -6.4129 -6.3973 -6.3907 -6.3907 -6.3879 -6.3691 -6.3691 -2.0149 -2.0141 -2.0141 -2.0136 1.3398 1.3455 1.3555 1.3555 3.1679 3.1679 4.5186 4.5186 5.3761 5.4080 5.4082 5.4082 10.9404 10.9404 11.9144 11.9197 11.9308 11.9308 14.5655 14.6088 k = 0.3333 0.5774 0.1642 ( 2499 PWs) bands (ev): -6.9664 -6.9664 -6.9475 -6.8790 -6.8710 -6.8710 -6.8447 -6.8447 -6.5798 -6.4926 -6.4622 -6.4622 -6.4122 -6.4122 -6.3972 -6.3907 -6.3907 -6.3883 -6.3690 -6.3690 -2.0082 -2.0074 -2.0074 -2.0070 1.3003 1.3058 1.3159 1.3159 3.2005 3.2005 4.4617 4.4617 5.4670 5.4976 5.4984 5.4984 11.0627 11.0627 11.7581 11.7654 11.7755 11.7755 14.5658 14.6058 k = 0.3333 0.5774 0.1759 ( 2499 PWs) bands (ev): -6.9663 -6.9663 -6.9455 -6.8820 -6.8708 -6.8708 -6.8447 -6.8447 -6.5758 -6.4949 -6.4633 -6.4633 -6.4116 -6.4116 -6.3971 -6.3907 -6.3907 -6.3887 -6.3690 -6.3690 -2.0015 -2.0007 -2.0007 -2.0004 1.2623 1.2676 1.2778 1.2778 3.2353 3.2353 4.4033 4.4033 5.5579 5.5870 5.5884 5.5884 11.1909 11.1909 11.6067 11.6155 11.6248 11.6248 14.5681 14.5997 k = 0.3333 0.5774 0.1877 ( 2505 PWs) bands (ev): -6.9662 -6.9662 -6.9434 -6.8852 -6.8705 -6.8705 -6.8447 -6.8447 -6.5717 -6.4973 -6.4643 -6.4643 -6.4111 -6.4111 -6.3970 -6.3907 -6.3907 -6.3892 -6.3689 -6.3689 -1.9949 -1.9942 -1.9942 -1.9939 1.2262 1.2312 1.2416 1.2416 3.2723 3.2723 4.3439 4.3439 5.6476 5.6751 5.6772 5.6772 11.3244 11.3244 11.4615 11.4714 11.4806 11.4806 14.4977 14.4977 k = 0.3333 0.5774 0.1994 ( 2505 PWs) bands (ev): -6.9661 -6.9661 -6.9412 -6.8884 -6.8703 -6.8703 -6.8446 -6.8446 -6.5675 -6.4999 -6.4652 -6.4652 -6.4106 -6.4106 -6.3968 -6.3907 -6.3907 -6.3897 -6.3689 -6.3689 -1.9886 -1.9879 -1.9879 -1.9877 1.1925 1.1971 1.2077 1.2077 3.3114 3.3114 4.2837 4.2837 5.7350 5.7607 5.7636 5.7636 11.3240 11.3345 11.3416 11.3416 11.4656 11.4656 14.3733 14.3733 k = 0.3333 0.5774 0.2111 ( 2511 PWs) bands (ev): -6.9661 -6.9661 -6.9390 -6.8916 -6.8701 -6.8701 -6.8446 -6.8446 -6.5634 -6.5026 -6.4661 -6.4661 -6.4102 -6.4102 -6.3967 -6.3907 -6.3907 -6.3901 -6.3688 -6.3688 -1.9826 -1.9820 -1.9820 -1.9818 1.1614 1.1657 1.1765 1.1765 3.3526 3.3526 4.2230 4.2230 5.8188 5.8425 5.8464 5.8464 11.1955 11.2062 11.2138 11.2138 11.6092 11.6092 14.2342 14.2342 k = 0.3333 0.5774 0.2228 ( 2508 PWs) bands (ev): -6.9660 -6.9660 -6.9365 -6.8949 -6.8699 -6.8699 -6.8445 -6.8445 -6.5591 -6.5056 -6.4668 -6.4668 -6.4098 -6.4098 -6.3964 -6.3906 -6.3906 -6.3906 -6.3687 -6.3687 -1.9770 -1.9764 -1.9764 -1.9764 1.1333 1.1371 1.1481 1.1481 3.3957 3.3957 4.1621 4.1621 5.8977 5.9192 5.9241 5.9241 11.0775 11.0879 11.0958 11.0958 11.7580 11.7580 14.0838 14.0838 k = 0.3333 0.5774 0.2346 ( 2511 PWs) bands (ev): -6.9659 -6.9659 -6.9340 -6.8981 -6.8697 -6.8697 -6.8445 -6.8445 -6.5548 -6.5087 -6.4675 -6.4675 -6.4094 -6.4094 -6.3961 -6.3911 -6.3906 -6.3906 -6.3687 -6.3687 -1.9720 -1.9714 -1.9714 -1.9714 1.1084 1.1118 1.1231 1.1231 3.4408 3.4408 4.1013 4.1013 5.9704 5.9894 5.9955 5.9955 10.9713 10.9812 10.9893 10.9893 11.9111 11.9111 13.9246 13.9246 k = 0.3333 0.5774 0.2463 ( 2517 PWs) bands (ev): -6.9659 -6.9659 -6.9314 -6.9013 -6.8696 -6.8696 -6.8445 -6.8445 -6.5506 -6.5119 -6.4681 -6.4681 -6.4092 -6.4092 -6.3959 -6.3916 -6.3906 -6.3906 -6.3687 -6.3687 -1.9675 -1.9671 -1.9670 -1.9670 1.0870 1.0899 1.1014 1.1014 3.4878 3.4878 4.0408 4.0408 6.0354 6.0517 6.0591 6.0591 10.8785 10.8873 10.8960 10.8960 12.0682 12.0682 13.7594 13.7594 k = 0.3333 0.5774 0.2580 ( 2517 PWs) bands (ev): -6.9658 -6.9658 -6.9287 -6.9046 -6.8695 -6.8695 -6.8444 -6.8444 -6.5464 -6.5153 -6.4685 -6.4685 -6.4090 -6.4090 -6.3955 -6.3921 -6.3906 -6.3906 -6.3686 -6.3686 -1.9637 -1.9634 -1.9633 -1.9633 1.0693 1.0716 1.0834 1.0834 3.5365 3.5365 3.9808 3.9808 6.0913 6.1046 6.1136 6.1136 10.8004 10.8079 10.8172 10.8172 12.2288 12.2288 13.5902 13.5902 k = 0.3333 0.5774 0.2698 ( 2523 PWs) bands (ev): -6.9658 -6.9658 -6.9260 -6.9078 -6.8694 -6.8694 -6.8444 -6.8444 -6.5422 -6.5188 -6.4689 -6.4689 -6.4088 -6.4088 -6.3952 -6.3926 -6.3906 -6.3906 -6.3686 -6.3686 -1.9607 -1.9605 -1.9603 -1.9603 1.0554 1.0572 1.0693 1.0693 3.5869 3.5869 3.9215 3.9215 6.1368 6.1470 6.1575 6.1575 10.7382 10.7442 10.7543 10.7543 12.3926 12.3926 13.4184 13.4184 k = 0.3333 0.5774 0.2815 ( 2523 PWs) bands (ev): -6.9658 -6.9658 -6.9231 -6.9109 -6.8693 -6.8693 -6.8444 -6.8444 -6.5381 -6.5225 -6.4692 -6.4692 -6.4087 -6.4087 -6.3948 -6.3930 -6.3906 -6.3906 -6.3686 -6.3686 -1.9585 -1.9584 -1.9582 -1.9582 1.0455 1.0467 1.0591 1.0591 3.6388 3.6388 3.8633 3.8633 6.1707 6.1777 6.1898 6.1898 10.6933 10.6974 10.7084 10.7084 12.5593 12.5593 13.2457 13.2457 k = 0.3333 0.5774 0.2932 ( 2523 PWs) bands (ev): -6.9658 -6.9658 -6.9201 -6.9141 -6.8693 -6.8693 -6.8444 -6.8444 -6.5341 -6.5262 -6.4694 -6.4694 -6.4086 -6.4086 -6.3944 -6.3935 -6.3906 -6.3906 -6.3685 -6.3685 -1.9572 -1.9571 -1.9569 -1.9568 1.0397 1.0402 1.0529 1.0529 3.6916 3.6916 3.8066 3.8066 6.1922 6.1958 6.2096 6.2096 10.6664 10.6685 10.6805 10.6805 12.7280 12.7280 13.0731 13.0731 k = 0.3333 0.5774 0.3049 ( 2526 PWs) bands (ev): -6.9658 -6.9658 -6.9171 -6.9171 -6.8693 -6.8693 -6.8444 -6.8444 -6.5301 -6.5301 -6.4694 -6.4694 -6.4086 -6.4086 -6.3940 -6.3940 -6.3906 -6.3906 -6.3685 -6.3685 -1.9567 -1.9567 -1.9564 -1.9564 1.0379 1.0379 1.0509 1.0509 3.7344 3.7344 3.7625 3.7625 6.2007 6.2007 6.2162 6.2162 10.6581 10.6581 10.6711 10.6711 12.8825 12.8825 12.9172 12.9172 Writing output data file GaP.save init_run : 5.52s CPU 15.95s WALL ( 1 calls) electrons : 416.12s CPU 426.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 416.03s CPU 425.69s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.89s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.20s CPU 0.59s WALL ( 1 calls) newd : 0.47s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.27s WALL ( 353 calls) cegterg : 309.17s CPU 312.12s WALL ( 583 calls) Called by sum_band: Called by *egterg: h_psi : 130.01s CPU 135.70s WALL ( 9732 calls) s_psi : 12.96s CPU 13.44s WALL ( 9732 calls) g_psi : 0.31s CPU 0.40s WALL ( 8796 calls) cdiaghg : 124.38s CPU 122.80s WALL ( 9149 calls) cegterg:over : 27.86s CPU 25.38s WALL ( 8796 calls) cegterg:upda : 4.05s CPU 6.22s WALL ( 8796 calls) cegterg:last : 4.22s CPU 4.92s WALL ( 1667 calls) Called by h_psi: h_psi:vloc : 103.54s CPU 108.18s WALL ( 9732 calls) h_psi:vnl : 26.30s CPU 27.08s WALL ( 9732 calls) add_vuspsi : 7.20s CPU 10.13s WALL ( 9732 calls) General routines calbec : 19.07s CPU 16.85s WALL ( 9732 calls) fft : 0.77s CPU 1.73s WALL ( 19 calls) ffts : 0.01s CPU 0.10s WALL ( 4 calls) fftw : 97.89s CPU 101.80s WALL ( 932152 calls) interpolate : 0.02s CPU 0.18s WALL ( 4 calls) davcio : 0.03s CPU 5.98s WALL ( 706 calls) Parallel routines fft_scatter : 71.03s CPU 75.31s WALL ( 932175 calls) PWSCF : 8m 3.51s CPU 11m15.88s WALL This run was terminated on: 17:22:23 20Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=