Program PWSCF v.5.1.1 starts on 20Oct2015 at 6: 6:40 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: ./ScGeAu.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 19 5 2280 752 115 Max 41 20 6 2287 776 126 Sum 1945 931 265 109561 36533 5719 bravais-lattice index = 14 lattice parameter (alat) = 8.1413 a.u. unit-cell volume = 742.5797 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.141318 celldm(2)= 1.000000 celldm(3)= 1.589016 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 1.589016 ) 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 0.629320 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /home/autes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /home/autes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Sc 11.00 44.95590 Sc( 1.00) Au 11.00 196.96660 Au( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7945081 ) 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 ) ( 0.7945081 ) 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 ) ( 0.7945081 ) 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 ) ( 0.7945081 ) 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 ) ( 0.7945081 ) 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 ) ( 0.7945081 ) 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= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0032051 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0032051 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0032051 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0032051 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0032051 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0032051 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0032051 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0032051 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0032051 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0032051 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0032051 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0032051 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0032051 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0032051 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0032051 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0032051 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0032051 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0032051 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0032051 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0032051 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0032051 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0032051 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0032051 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0032051 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0032051 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0032051 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0032051 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0032051 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0032051 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0032051 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0032051 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0032051 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0032051 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0032051 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0032051 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0032051 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0032051 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032051 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0032051 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0032051 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0032051 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0032051 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032051 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0032051 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0032051 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0032051 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0032051 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0032051 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 72) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0032051 k( 73) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0032051 k( 74) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0032051 k( 75) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0032051 k( 77) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0032051 k( 78) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0032051 k( 79) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0032051 k( 80) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0032051 k( 81) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0032051 k( 82) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0032051 k( 83) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0032051 k( 84) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0032051 k( 85) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0032051 k( 86) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0032051 k( 87) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0032051 k( 88) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0032051 k( 89) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0032051 k( 90) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0032051 k( 91) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0032051 k( 92) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0032051 k( 93) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0032051 k( 94) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0032051 k( 95) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0032051 k( 96) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0032051 k( 97) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0032051 k( 98) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0032051 k( 99) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0032051 k( 100) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0032051 k( 101) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0032051 k( 102) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0032051 k( 103) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0032051 k( 104) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0032051 k( 105) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0032051 k( 106) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0032051 k( 107) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0032051 k( 108) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0032051 k( 109) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0032051 k( 111) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0032051 k( 112) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0032051 k( 113) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0032051 k( 115) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0032051 k( 116) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0032051 k( 118) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.0136809), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.0273617), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.0410426), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.0547235), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.0684044), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.0820852), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.0957661), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.1094470), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.1231279), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.1368087), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.1504896), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.1641705), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.1778514), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.1915322), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.2052131), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.2188940), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.2325748), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.2462557), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.2599366), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.2736175), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.2872983), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.3009792), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.3146601), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.3146601), wk = 0.0032051 k( 146) = ( 0.0116279 0.0067134 0.3146601), wk = 0.0032051 k( 147) = ( 0.0232558 0.0134267 0.3146601), wk = 0.0032051 k( 148) = ( 0.0348837 0.0201401 0.3146601), wk = 0.0032051 k( 149) = ( 0.0465116 0.0268535 0.3146601), wk = 0.0032051 k( 150) = ( 0.0581395 0.0335669 0.3146601), wk = 0.0032051 k( 151) = ( 0.0697674 0.0402803 0.3146601), wk = 0.0032051 k( 152) = ( 0.0813954 0.0469936 0.3146601), wk = 0.0032051 k( 153) = ( 0.0930233 0.0537070 0.3146601), wk = 0.0032051 k( 154) = ( 0.1046512 0.0604204 0.3146601), wk = 0.0032051 k( 155) = ( 0.1162791 0.0671338 0.3146601), wk = 0.0032051 k( 156) = ( 0.1279070 0.0738471 0.3146601), wk = 0.0032051 k( 157) = ( 0.1395349 0.0805605 0.3146601), wk = 0.0032051 k( 158) = ( 0.1511628 0.0872739 0.3146601), wk = 0.0032051 k( 159) = ( 0.1627907 0.0939873 0.3146601), wk = 0.0032051 k( 160) = ( 0.1744186 0.1007006 0.3146601), wk = 0.0032051 k( 161) = ( 0.1860465 0.1074140 0.3146601), wk = 0.0032051 k( 162) = ( 0.1976744 0.1141274 0.3146601), wk = 0.0032051 k( 163) = ( 0.2093023 0.1208408 0.3146601), wk = 0.0032051 k( 164) = ( 0.2209302 0.1275541 0.3146601), wk = 0.0032051 k( 165) = ( 0.2325581 0.1342675 0.3146601), wk = 0.0032051 k( 166) = ( 0.2441860 0.1409809 0.3146601), wk = 0.0032051 k( 167) = ( 0.2558140 0.1476943 0.3146601), wk = 0.0032051 k( 168) = ( 0.2674419 0.1544076 0.3146601), wk = 0.0032051 k( 169) = ( 0.2790698 0.1611210 0.3146601), wk = 0.0032051 k( 170) = ( 0.2906977 0.1678344 0.3146601), wk = 0.0032051 k( 171) = ( 0.3023256 0.1745478 0.3146601), wk = 0.0032051 k( 172) = ( 0.3139535 0.1812611 0.3146601), wk = 0.0032051 k( 173) = ( 0.3255814 0.1879745 0.3146601), wk = 0.0032051 k( 174) = ( 0.3372093 0.1946879 0.3146601), wk = 0.0032051 k( 175) = ( 0.3488372 0.2014013 0.3146601), wk = 0.0032051 k( 176) = ( 0.3604651 0.2081146 0.3146601), wk = 0.0032051 k( 177) = ( 0.3720930 0.2148280 0.3146601), wk = 0.0032051 k( 178) = ( 0.3837209 0.2215414 0.3146601), wk = 0.0032051 k( 179) = ( 0.3953488 0.2282548 0.3146601), wk = 0.0032051 k( 180) = ( 0.4069767 0.2349681 0.3146601), wk = 0.0032051 k( 181) = ( 0.4186047 0.2416815 0.3146601), wk = 0.0032051 k( 182) = ( 0.4302326 0.2483949 0.3146601), wk = 0.0032051 k( 183) = ( 0.4418605 0.2551083 0.3146601), wk = 0.0032051 k( 184) = ( 0.4534884 0.2618216 0.3146601), wk = 0.0032051 k( 185) = ( 0.4651163 0.2685350 0.3146601), wk = 0.0032051 k( 186) = ( 0.4767442 0.2752484 0.3146601), wk = 0.0032051 k( 187) = ( 0.4883721 0.2819618 0.3146601), wk = 0.0032051 k( 188) = ( 0.5000000 0.2886751 0.3146601), wk = 0.0032051 k( 189) = ( 0.5000000 0.2886751 0.3146601), wk = 0.0032051 k( 190) = ( 0.4933333 0.3002221 0.3146601), wk = 0.0032051 k( 191) = ( 0.4866667 0.3117692 0.3146601), wk = 0.0032051 k( 192) = ( 0.4800000 0.3233162 0.3146601), wk = 0.0032051 k( 193) = ( 0.4733333 0.3348632 0.3146601), wk = 0.0032051 k( 194) = ( 0.4666667 0.3464102 0.3146601), wk = 0.0032051 k( 195) = ( 0.4600000 0.3579572 0.3146601), wk = 0.0032051 k( 196) = ( 0.4533333 0.3695042 0.3146601), wk = 0.0032051 k( 197) = ( 0.4466667 0.3810512 0.3146601), wk = 0.0032051 k( 198) = ( 0.4400000 0.3925982 0.3146601), wk = 0.0032051 k( 199) = ( 0.4333333 0.4041452 0.3146601), wk = 0.0032051 k( 200) = ( 0.4266667 0.4156922 0.3146601), wk = 0.0032051 k( 201) = ( 0.4200000 0.4272392 0.3146601), wk = 0.0032051 k( 202) = ( 0.4133333 0.4387862 0.3146601), wk = 0.0032051 k( 203) = ( 0.4066667 0.4503332 0.3146601), wk = 0.0032051 k( 204) = ( 0.4000000 0.4618802 0.3146601), wk = 0.0032051 k( 205) = ( 0.3933333 0.4734272 0.3146601), wk = 0.0032051 k( 206) = ( 0.3866667 0.4849742 0.3146601), wk = 0.0032051 k( 207) = ( 0.3800000 0.4965212 0.3146601), wk = 0.0032051 k( 208) = ( 0.3733333 0.5080682 0.3146601), wk = 0.0032051 k( 209) = ( 0.3666667 0.5196152 0.3146601), wk = 0.0032051 k( 210) = ( 0.3600000 0.5311622 0.3146601), wk = 0.0032051 k( 211) = ( 0.3533333 0.5427092 0.3146601), wk = 0.0032051 k( 212) = ( 0.3466667 0.5542563 0.3146601), wk = 0.0032051 k( 213) = ( 0.3400000 0.5658033 0.3146601), wk = 0.0032051 k( 214) = ( 0.3333333 0.5773503 0.3146601), wk = 0.0032051 k( 215) = ( 0.3333333 0.5773503 0.3146601), wk = 0.0032051 k( 216) = ( 0.3265306 0.5655676 0.3146601), wk = 0.0032051 k( 217) = ( 0.3197279 0.5537850 0.3146601), wk = 0.0032051 k( 218) = ( 0.3129252 0.5420023 0.3146601), wk = 0.0032051 k( 219) = ( 0.3061224 0.5302196 0.3146601), wk = 0.0032051 k( 220) = ( 0.2993197 0.5184370 0.3146601), wk = 0.0032051 k( 221) = ( 0.2925170 0.5066543 0.3146601), wk = 0.0032051 k( 222) = ( 0.2857143 0.4948717 0.3146601), wk = 0.0032051 k( 223) = ( 0.2789116 0.4830890 0.3146601), wk = 0.0032051 k( 224) = ( 0.2721088 0.4713063 0.3146601), wk = 0.0032051 k( 225) = ( 0.2653061 0.4595237 0.3146601), wk = 0.0032051 k( 226) = ( 0.2585034 0.4477410 0.3146601), wk = 0.0032051 k( 227) = ( 0.2517007 0.4359584 0.3146601), wk = 0.0032051 k( 228) = ( 0.2448980 0.4241757 0.3146601), wk = 0.0032051 k( 229) = ( 0.2380952 0.4123931 0.3146601), wk = 0.0032051 k( 230) = ( 0.2312925 0.4006104 0.3146601), wk = 0.0032051 k( 231) = ( 0.2244898 0.3888277 0.3146601), wk = 0.0032051 k( 232) = ( 0.2176871 0.3770451 0.3146601), wk = 0.0032051 k( 233) = ( 0.2108843 0.3652624 0.3146601), wk = 0.0032051 k( 234) = ( 0.2040816 0.3534798 0.3146601), wk = 0.0032051 k( 235) = ( 0.1972789 0.3416971 0.3146601), wk = 0.0032051 k( 236) = ( 0.1904762 0.3299144 0.3146601), wk = 0.0032051 k( 237) = ( 0.1836735 0.3181318 0.3146601), wk = 0.0032051 k( 238) = ( 0.1768707 0.3063491 0.3146601), wk = 0.0032051 k( 239) = ( 0.1700680 0.2945665 0.3146601), wk = 0.0032051 k( 240) = ( 0.1632653 0.2827838 0.3146601), wk = 0.0032051 k( 241) = ( 0.1564626 0.2710012 0.3146601), wk = 0.0032051 k( 242) = ( 0.1496599 0.2592185 0.3146601), wk = 0.0032051 k( 243) = ( 0.1428571 0.2474358 0.3146601), wk = 0.0032051 k( 244) = ( 0.1360544 0.2356532 0.3146601), wk = 0.0032051 k( 245) = ( 0.1292517 0.2238705 0.3146601), wk = 0.0032051 k( 246) = ( 0.1224490 0.2120879 0.3146601), wk = 0.0032051 k( 247) = ( 0.1156463 0.2003052 0.3146601), wk = 0.0032051 k( 248) = ( 0.1088435 0.1885225 0.3146601), wk = 0.0032051 k( 249) = ( 0.1020408 0.1767399 0.3146601), wk = 0.0032051 k( 250) = ( 0.0952381 0.1649572 0.3146601), wk = 0.0032051 k( 251) = ( 0.0884354 0.1531746 0.3146601), wk = 0.0032051 k( 252) = ( 0.0816327 0.1413919 0.3146601), wk = 0.0032051 k( 253) = ( 0.0748299 0.1296092 0.3146601), wk = 0.0032051 k( 254) = ( 0.0680272 0.1178266 0.3146601), wk = 0.0032051 k( 255) = ( 0.0612245 0.1060439 0.3146601), wk = 0.0032051 k( 256) = ( 0.0544218 0.0942613 0.3146601), wk = 0.0032051 k( 257) = ( 0.0476191 0.0824786 0.3146601), wk = 0.0032051 k( 258) = ( 0.0408163 0.0706960 0.3146601), wk = 0.0032051 k( 259) = ( 0.0340136 0.0589133 0.3146601), wk = 0.0032051 k( 260) = ( 0.0272109 0.0471306 0.3146601), wk = 0.0032051 k( 261) = ( 0.0204082 0.0353480 0.3146601), wk = 0.0032051 k( 262) = ( 0.0136054 0.0235653 0.3146601), wk = 0.0032051 k( 263) = ( 0.0068027 0.0117827 0.3146601), wk = 0.0032051 k( 264) = ( 0.0000000 0.0000000 0.3146601), wk = 0.0032051 k( 265) = ( 0.5000000 0.2886751 0.3146601), wk = 0.0032051 k( 266) = ( 0.5000000 0.2886751 0.3009792), wk = 0.0032051 k( 267) = ( 0.5000000 0.2886751 0.2872983), wk = 0.0032051 k( 268) = ( 0.5000000 0.2886751 0.2736175), wk = 0.0032051 k( 269) = ( 0.5000000 0.2886751 0.2599366), wk = 0.0032051 k( 270) = ( 0.5000000 0.2886751 0.2462557), wk = 0.0032051 k( 271) = ( 0.5000000 0.2886751 0.2325748), wk = 0.0032051 k( 272) = ( 0.5000000 0.2886751 0.2188940), wk = 0.0032051 k( 273) = ( 0.5000000 0.2886751 0.2052131), wk = 0.0032051 k( 274) = ( 0.5000000 0.2886751 0.1915322), wk = 0.0032051 k( 275) = ( 0.5000000 0.2886751 0.1778514), wk = 0.0032051 k( 276) = ( 0.5000000 0.2886751 0.1641705), wk = 0.0032051 k( 277) = ( 0.5000000 0.2886751 0.1504896), wk = 0.0032051 k( 278) = ( 0.5000000 0.2886751 0.1368087), wk = 0.0032051 k( 279) = ( 0.5000000 0.2886751 0.1231279), wk = 0.0032051 k( 280) = ( 0.5000000 0.2886751 0.1094470), wk = 0.0032051 k( 281) = ( 0.5000000 0.2886751 0.0957661), wk = 0.0032051 k( 282) = ( 0.5000000 0.2886751 0.0820852), wk = 0.0032051 k( 283) = ( 0.5000000 0.2886751 0.0684044), wk = 0.0032051 k( 284) = ( 0.5000000 0.2886751 0.0547235), wk = 0.0032051 k( 285) = ( 0.5000000 0.2886751 0.0410426), wk = 0.0032051 k( 286) = ( 0.5000000 0.2886751 0.0273617), wk = 0.0032051 k( 287) = ( 0.5000000 0.2886751 0.0136809), wk = 0.0032051 k( 288) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 289) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 290) = ( 0.3333333 0.5773503 0.0136809), wk = 0.0032051 k( 291) = ( 0.3333333 0.5773503 0.0273617), wk = 0.0032051 k( 292) = ( 0.3333333 0.5773503 0.0410426), wk = 0.0032051 k( 293) = ( 0.3333333 0.5773503 0.0547235), wk = 0.0032051 k( 294) = ( 0.3333333 0.5773503 0.0684044), wk = 0.0032051 k( 295) = ( 0.3333333 0.5773503 0.0820852), wk = 0.0032051 k( 296) = ( 0.3333333 0.5773503 0.0957661), wk = 0.0032051 k( 297) = ( 0.3333333 0.5773503 0.1094470), wk = 0.0032051 k( 298) = ( 0.3333333 0.5773503 0.1231279), wk = 0.0032051 k( 299) = ( 0.3333333 0.5773503 0.1368087), wk = 0.0032051 k( 300) = ( 0.3333333 0.5773503 0.1504896), wk = 0.0032051 k( 301) = ( 0.3333333 0.5773503 0.1641705), wk = 0.0032051 k( 302) = ( 0.3333333 0.5773503 0.1778514), wk = 0.0032051 k( 303) = ( 0.3333333 0.5773503 0.1915322), wk = 0.0032051 k( 304) = ( 0.3333333 0.5773503 0.2052131), wk = 0.0032051 k( 305) = ( 0.3333333 0.5773503 0.2188940), wk = 0.0032051 k( 306) = ( 0.3333333 0.5773503 0.2325748), wk = 0.0032051 k( 307) = ( 0.3333333 0.5773503 0.2462557), wk = 0.0032051 k( 308) = ( 0.3333333 0.5773503 0.2599366), wk = 0.0032051 k( 309) = ( 0.3333333 0.5773503 0.2736175), wk = 0.0032051 k( 310) = ( 0.3333333 0.5773503 0.2872983), wk = 0.0032051 k( 311) = ( 0.3333333 0.5773503 0.3009792), wk = 0.0032051 k( 312) = ( 0.3333333 0.5773503 0.3146601), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0116279 0.0000000 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0032051 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0032051 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0032051 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0032051 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0032051 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0032051 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0032051 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0032051 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0032051 k( 16) = ( 0.1744186 0.0000000 -0.0000000), wk = 0.0032051 k( 17) = ( 0.1860465 0.0000000 -0.0000000), wk = 0.0032051 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0032051 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0032051 k( 20) = ( 0.2209302 0.0000000 -0.0000000), wk = 0.0032051 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2441860 0.0000000 -0.0000000), wk = 0.0032051 k( 23) = ( 0.2558140 0.0000000 -0.0000000), wk = 0.0032051 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0032051 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0032051 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0032051 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0032051 k( 28) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0032051 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0032051 k( 30) = ( 0.3372093 0.0000000 -0.0000000), wk = 0.0032051 k( 31) = ( 0.3488372 0.0000000 -0.0000000), wk = 0.0032051 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0032051 k( 33) = ( 0.3720930 0.0000000 -0.0000000), wk = 0.0032051 k( 34) = ( 0.3837209 0.0000000 -0.0000000), wk = 0.0032051 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0032051 k( 36) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0032051 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0032051 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0032051 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0032051 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0032051 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0032051 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032051 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0032051 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0032051 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0032051 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0032051 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0032051 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0032051 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0032051 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0032051 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0032051 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0032051 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0032051 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0032051 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0032051 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0032051 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0032051 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0032051 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0032051 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 72) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0032051 k( 73) = ( 0.3197279 0.3197279 0.0000000), wk = 0.0032051 k( 74) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0032051 k( 75) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0032051 k( 76) = ( 0.2993197 0.2993197 -0.0000000), wk = 0.0032051 k( 77) = ( 0.2925170 0.2925170 0.0000000), wk = 0.0032051 k( 78) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032051 k( 79) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0032051 k( 80) = ( 0.2721088 0.2721088 -0.0000000), wk = 0.0032051 k( 81) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0032051 k( 82) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0032051 k( 83) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0032051 k( 84) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0032051 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0032051 k( 86) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0032051 k( 87) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0032051 k( 88) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0032051 k( 89) = ( 0.2108843 0.2108843 -0.0000000), wk = 0.0032051 k( 90) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0032051 k( 91) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0032051 k( 92) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0032051 k( 93) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0032051 k( 94) = ( 0.1768707 0.1768707 -0.0000000), wk = 0.0032051 k( 95) = ( 0.1700680 0.1700680 0.0000000), wk = 0.0032051 k( 96) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0032051 k( 97) = ( 0.1564626 0.1564626 0.0000000), wk = 0.0032051 k( 98) = ( 0.1496599 0.1496599 0.0000000), wk = 0.0032051 k( 99) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032051 k( 100) = ( 0.1360544 0.1360544 -0.0000000), wk = 0.0032051 k( 101) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0032051 k( 102) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0032051 k( 103) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0032051 k( 104) = ( 0.1088435 0.1088435 0.0000000), wk = 0.0032051 k( 105) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0032051 k( 106) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0032051 k( 107) = ( 0.0884354 0.0884354 0.0000000), wk = 0.0032051 k( 108) = ( 0.0816327 0.0816327 -0.0000000), wk = 0.0032051 k( 109) = ( 0.0748299 0.0748299 0.0000000), wk = 0.0032051 k( 110) = ( 0.0680272 0.0680272 -0.0000000), wk = 0.0032051 k( 111) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0032051 k( 112) = ( 0.0544218 0.0544218 0.0000000), wk = 0.0032051 k( 113) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0032051 k( 114) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0032051 k( 115) = ( 0.0340136 0.0340136 0.0000000), wk = 0.0032051 k( 116) = ( 0.0272109 0.0272109 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0032051 k( 118) = ( 0.0136054 0.0136054 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0068027 0.0068027 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 146) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0032051 k( 147) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0032051 k( 148) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0032051 k( 149) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0032051 k( 150) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0032051 k( 151) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0032051 k( 152) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0032051 k( 153) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0032051 k( 154) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0032051 k( 155) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0032051 k( 156) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0032051 k( 157) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0032051 k( 158) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0032051 k( 159) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0032051 k( 160) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0032051 k( 161) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0032051 k( 162) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0032051 k( 163) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0032051 k( 164) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0032051 k( 165) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0032051 k( 166) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0032051 k( 167) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0032051 k( 168) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0032051 k( 169) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0032051 k( 170) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0032051 k( 171) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0032051 k( 172) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0032051 k( 173) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0032051 k( 174) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0032051 k( 175) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0032051 k( 176) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0032051 k( 177) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0032051 k( 178) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0032051 k( 179) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0032051 k( 180) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0032051 k( 181) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0032051 k( 182) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0032051 k( 183) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0032051 k( 184) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0032051 k( 185) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0032051 k( 186) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0032051 k( 187) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0032051 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 190) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0032051 k( 191) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0032051 k( 192) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0032051 k( 193) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0032051 k( 194) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032051 k( 195) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0032051 k( 196) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0032051 k( 197) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0032051 k( 198) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0032051 k( 199) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032051 k( 200) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0032051 k( 201) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0032051 k( 202) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0032051 k( 203) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0032051 k( 204) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032051 k( 205) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0032051 k( 206) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0032051 k( 207) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0032051 k( 208) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0032051 k( 209) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032051 k( 210) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0032051 k( 211) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0032051 k( 212) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0032051 k( 213) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0032051 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 216) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0032051 k( 217) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0032051 k( 218) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0032051 k( 219) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0032051 k( 220) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0032051 k( 221) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0032051 k( 222) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032051 k( 223) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0032051 k( 224) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0032051 k( 225) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0032051 k( 226) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0032051 k( 227) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0032051 k( 228) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0032051 k( 229) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0032051 k( 230) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0032051 k( 231) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0032051 k( 232) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0032051 k( 233) = ( 0.2108843 0.2108843 0.5000000), wk = 0.0032051 k( 234) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0032051 k( 235) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0032051 k( 236) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0032051 k( 237) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0032051 k( 238) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0032051 k( 239) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0032051 k( 240) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0032051 k( 241) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0032051 k( 242) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0032051 k( 243) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032051 k( 244) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0032051 k( 245) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0032051 k( 246) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0032051 k( 247) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0032051 k( 248) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0032051 k( 249) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0032051 k( 250) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0032051 k( 251) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0032051 k( 252) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0032051 k( 253) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0032051 k( 254) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0032051 k( 255) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0032051 k( 256) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0032051 k( 257) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0032051 k( 258) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0032051 k( 259) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0032051 k( 260) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0032051 k( 261) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0032051 k( 262) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0032051 k( 263) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0032051 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 266) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0032051 k( 267) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0032051 k( 268) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0032051 k( 269) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0032051 k( 270) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0032051 k( 271) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0032051 k( 272) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0032051 k( 273) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0032051 k( 274) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0032051 k( 275) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0032051 k( 276) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0032051 k( 277) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0032051 k( 278) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0032051 k( 279) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0032051 k( 280) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0032051 k( 281) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0032051 k( 282) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0032051 k( 283) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0032051 k( 284) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0032051 k( 285) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0032051 k( 286) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0032051 k( 287) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0032051 k( 288) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032051 k( 289) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 290) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0032051 k( 291) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0032051 k( 292) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0032051 k( 293) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0032051 k( 294) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0032051 k( 295) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0032051 k( 296) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0032051 k( 297) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0032051 k( 298) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0032051 k( 299) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0032051 k( 300) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0032051 k( 301) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0032051 k( 302) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0032051 k( 303) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0032051 k( 304) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0032051 k( 305) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0032051 k( 306) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0032051 k( 307) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0032051 k( 308) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0032051 k( 309) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0032051 k( 310) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0032051 k( 311) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0032051 k( 312) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 Dense grid: 109561 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 36533 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 202, 62) NL pseudopotentials 0.25 Mb ( 101, 164) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2287) G-vector shells 0.01 Mb ( 1141) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 202, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.31 Mb ( 164, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScGeAu.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.9 secs Computing kpt #: 2 total cpu time spent up to now is 51.8 secs Computing kpt #: 3 total cpu time spent up to now is 56.7 secs Computing kpt #: 4 total cpu time spent up to now is 64.5 secs Computing kpt #: 5 total cpu time spent up to now is 72.6 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.6 secs Computing kpt #: 7 total cpu time spent up to now is 90.9 secs Computing kpt #: 8 total cpu time spent up to now is 97.7 secs Computing kpt #: 9 total cpu time spent up to now is 103.9 secs Computing kpt #: 10 total cpu time spent up to now is 114.4 secs Computing kpt #: 11 total cpu time spent up to now is 120.1 secs Computing kpt #: 12 total cpu time spent up to now is 126.3 secs Computing kpt #: 13 total cpu time spent up to now is 136.8 secs Computing kpt #: 14 total cpu time spent up to now is 143.9 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.6 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.6 secs Computing kpt #: 17 total cpu time spent up to now is 170.4 secs Computing kpt #: 18 total cpu time spent up to now is 177.1 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.0 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.8 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.4 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.8 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.3 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.2 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.2 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.9 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.0 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.3 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.6 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.6 secs Computing kpt #: 31 total cpu time spent up to now is 290.5 secs Computing kpt #: 32 total cpu time spent up to now is 296.8 secs Computing kpt #: 33 total cpu time spent up to now is 302.5 secs Computing kpt #: 34 total cpu time spent up to now is 311.5 secs Computing kpt #: 35 total cpu time spent up to now is 316.7 secs Computing kpt #: 36 total cpu time spent up to now is 321.6 secs Computing kpt #: 37 total cpu time spent up to now is 330.0 secs Computing kpt #: 38 total cpu time spent up to now is 334.7 secs Computing kpt #: 39 total cpu time spent up to now is 339.1 secs Computing kpt #: 40 total cpu time spent up to now is 346.1 secs Computing kpt #: 41 total cpu time spent up to now is 350.7 secs Computing kpt #: 42 total cpu time spent up to now is 355.2 secs Computing kpt #: 43 total cpu time spent up to now is 359.9 secs Computing kpt #: 44 total cpu time spent up to now is 367.9 secs Computing kpt #: 45 total cpu time spent up to now is 374.1 secs Computing kpt #: 46 total cpu time spent up to now is 378.8 secs Computing kpt #: 47 total cpu time spent up to now is 383.9 secs Computing kpt #: 48 total cpu time spent up to now is 391.7 secs Computing kpt #: 49 total cpu time spent up to now is 396.0 secs Computing kpt #: 50 total cpu time spent up to now is 400.5 secs Computing kpt #: 51 total cpu time spent up to now is 406.4 secs Computing kpt #: 52 total cpu time spent up to now is 413.7 secs Computing kpt #: 53 total cpu time spent up to now is 418.8 secs Computing kpt #: 54 total cpu time spent up to now is 424.5 secs Computing kpt #: 55 total cpu time spent up to now is 434.3 secs Computing kpt #: 56 total cpu time spent up to now is 440.2 secs Computing kpt #: 57 total cpu time spent up to now is 446.3 secs Computing kpt #: 58 total cpu time spent up to now is 455.8 secs Computing kpt #: 59 total cpu time spent up to now is 461.8 secs Computing kpt #: 60 total cpu time spent up to now is 467.4 secs Computing kpt #: 61 total cpu time spent up to now is 476.2 secs Computing kpt #: 62 total cpu time spent up to now is 481.4 secs Computing kpt #: 63 total cpu time spent up to now is 486.7 secs Computing kpt #: 64 total cpu time spent up to now is 496.0 secs Computing kpt #: 65 total cpu time spent up to now is 500.7 secs Computing kpt #: 66 total cpu time spent up to now is 505.2 secs Computing kpt #: 67 total cpu time spent up to now is 509.9 secs Computing kpt #: 68 total cpu time spent up to now is 515.0 secs Computing kpt #: 69 total cpu time spent up to now is 522.6 secs Computing kpt #: 70 total cpu time spent up to now is 526.9 secs Computing kpt #: 71 total cpu time spent up to now is 531.3 secs Computing kpt #: 72 total cpu time spent up to now is 538.7 secs Computing kpt #: 73 total cpu time spent up to now is 543.9 secs Computing kpt #: 74 total cpu time spent up to now is 548.7 secs Computing kpt #: 75 total cpu time spent up to now is 553.7 secs Computing kpt #: 76 total cpu time spent up to now is 560.5 secs Computing kpt #: 77 total cpu time spent up to now is 566.0 secs Computing kpt #: 78 total cpu time spent up to now is 570.9 secs Computing kpt #: 79 total cpu time spent up to now is 577.2 secs Computing kpt #: 80 total cpu time spent up to now is 583.3 secs Computing kpt #: 81 total cpu time spent up to now is 589.3 secs Computing kpt #: 82 total cpu time spent up to now is 595.2 secs Computing kpt #: 83 total cpu time spent up to now is 599.9 secs Computing kpt #: 84 total cpu time spent up to now is 605.8 secs Computing kpt #: 85 total cpu time spent up to now is 610.5 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 617.3 secs Computing kpt #: 87 total cpu time spent up to now is 622.3 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 629.3 secs Computing kpt #: 89 total cpu time spent up to now is 635.2 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 642.3 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.4 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 656.3 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 671.1 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 679.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 686.3 secs Computing kpt #: 97 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 693.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 701.1 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 708.4 secs Computing kpt #: 100 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 715.8 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 723.2 secs Computing kpt #: 102 total cpu time spent up to now is 730.5 secs Computing kpt #: 103 total cpu time spent up to now is 736.9 secs Computing kpt #: 104 total cpu time spent up to now is 742.2 secs Computing kpt #: 105 total cpu time spent up to now is 749.0 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 756.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 763.3 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 778.6 secs Computing kpt #: 110 total cpu time spent up to now is 785.3 secs Computing kpt #: 111 total cpu time spent up to now is 792.3 secs Computing kpt #: 112 total cpu time spent up to now is 799.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 806.1 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 813.0 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 820.0 secs Computing kpt #: 116 total cpu time spent up to now is 825.7 secs Computing kpt #: 117 total cpu time spent up to now is 831.4 secs Computing kpt #: 118 total cpu time spent up to now is 836.1 secs Computing kpt #: 119 total cpu time spent up to now is 840.5 secs Computing kpt #: 120 total cpu time spent up to now is 845.4 secs Computing kpt #: 121 total cpu time spent up to now is 850.3 secs Computing kpt #: 122 total cpu time spent up to now is 855.3 secs Computing kpt #: 123 total cpu time spent up to now is 860.1 secs Computing kpt #: 124 total cpu time spent up to now is 865.5 secs Computing kpt #: 125 total cpu time spent up to now is 869.8 secs Computing kpt #: 126 total cpu time spent up to now is 875.3 secs Computing kpt #: 127 total cpu time spent up to now is 880.3 secs Computing kpt #: 128 total cpu time spent up to now is 885.3 secs Computing kpt #: 129 total cpu time spent up to now is 890.0 secs Computing kpt #: 130 total cpu time spent up to now is 895.2 secs Computing kpt #: 131 total cpu time spent up to now is 900.9 secs Computing kpt #: 132 total cpu time spent up to now is 906.5 secs Computing kpt #: 133 total cpu time spent up to now is 912.6 secs Computing kpt #: 134 total cpu time spent up to now is 919.1 secs Computing kpt #: 135 total cpu time spent up to now is 925.2 secs Computing kpt #: 136 total cpu time spent up to now is 932.2 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 938.8 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 945.7 secs Computing kpt #: 139 total cpu time spent up to now is 952.1 secs Computing kpt #: 140 total cpu time spent up to now is 957.3 secs Computing kpt #: 141 total cpu time spent up to now is 962.9 secs Computing kpt #: 142 total cpu time spent up to now is 968.9 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 977.8 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 984.3 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 990.7 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 998.5 secs Computing kpt #: 147 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1006.6 secs Computing kpt #: 148 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1014.5 secs Computing kpt #: 149 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1022.3 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1030.0 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1037.3 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1044.8 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1052.3 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1060.1 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1067.3 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1074.7 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1081.9 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1088.9 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1095.8 secs Computing kpt #: 160 total cpu time spent up to now is 1101.2 secs Computing kpt #: 161 total cpu time spent up to now is 1106.7 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1113.3 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1120.0 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1126.6 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1133.3 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1140.2 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1147.0 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1154.0 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1160.5 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1167.3 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1174.2 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1180.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1187.9 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1194.6 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1201.7 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1208.4 secs Computing kpt #: 177 total cpu time spent up to now is 1213.2 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1220.1 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1227.2 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1234.2 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1241.2 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1248.2 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1255.4 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1262.4 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1270.2 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1278.7 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1285.9 secs Computing kpt #: 188 total cpu time spent up to now is 1292.3 secs Computing kpt #: 189 total cpu time spent up to now is 1298.3 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1305.6 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1312.9 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1320.8 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1328.5 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1335.7 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1342.9 secs Computing kpt #: 196 total cpu time spent up to now is 1350.1 secs Computing kpt #: 197 total cpu time spent up to now is 1356.2 secs Computing kpt #: 198 total cpu time spent up to now is 1363.3 secs Computing kpt #: 199 total cpu time spent up to now is 1370.5 secs Computing kpt #: 200 total cpu time spent up to now is 1377.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1384.9 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1392.2 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1398.9 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1406.0 secs Computing kpt #: 205 total cpu time spent up to now is 1411.5 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1418.5 secs Computing kpt #: 207 total cpu time spent up to now is 1424.0 secs Computing kpt #: 208 total cpu time spent up to now is 1429.3 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1436.3 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1443.3 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1450.1 secs Computing kpt #: 212 total cpu time spent up to now is 1456.5 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1463.2 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1470.1 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1476.7 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1483.6 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1490.3 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1497.1 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1503.9 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1510.6 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1517.4 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1524.1 secs Computing kpt #: 223 total cpu time spent up to now is 1529.4 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1536.4 secs Computing kpt #: 225 total cpu time spent up to now is 1542.1 secs Computing kpt #: 226 total cpu time spent up to now is 1548.2 secs Computing kpt #: 227 total cpu time spent up to now is 1554.8 secs Computing kpt #: 228 total cpu time spent up to now is 1560.6 secs Computing kpt #: 229 total cpu time spent up to now is 1566.4 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1575.6 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1582.5 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1589.2 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1596.1 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1602.8 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1609.5 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1616.2 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1622.9 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1629.7 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1636.2 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1642.8 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1649.3 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1655.9 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1662.6 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1669.5 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1676.1 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1682.7 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1689.6 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1696.6 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1703.5 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1710.6 secs Computing kpt #: 251 total cpu time spent up to now is 1717.4 secs Computing kpt #: 252 total cpu time spent up to now is 1724.2 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1731.1 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1738.5 secs Computing kpt #: 255 total cpu time spent up to now is 1745.0 secs Computing kpt #: 256 total cpu time spent up to now is 1751.4 secs Computing kpt #: 257 total cpu time spent up to now is 1758.1 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1765.5 secs Computing kpt #: 259 total cpu time spent up to now is 1772.3 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1779.9 secs Computing kpt #: 261 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1787.5 secs Computing kpt #: 262 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1795.2 secs Computing kpt #: 263 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1803.1 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1809.4 secs Computing kpt #: 265 total cpu time spent up to now is 1816.0 secs Computing kpt #: 266 total cpu time spent up to now is 1823.0 secs Computing kpt #: 267 total cpu time spent up to now is 1828.4 secs Computing kpt #: 268 total cpu time spent up to now is 1833.9 secs Computing kpt #: 269 total cpu time spent up to now is 1839.1 secs Computing kpt #: 270 total cpu time spent up to now is 1844.3 secs Computing kpt #: 271 total cpu time spent up to now is 1849.2 secs Computing kpt #: 272 total cpu time spent up to now is 1854.2 secs Computing kpt #: 273 total cpu time spent up to now is 1859.2 secs Computing kpt #: 274 total cpu time spent up to now is 1864.1 secs Computing kpt #: 275 total cpu time spent up to now is 1869.5 secs Computing kpt #: 276 total cpu time spent up to now is 1875.7 secs Computing kpt #: 277 total cpu time spent up to now is 1880.4 secs Computing kpt #: 278 total cpu time spent up to now is 1885.4 secs Computing kpt #: 279 total cpu time spent up to now is 1890.2 secs Computing kpt #: 280 total cpu time spent up to now is 1894.9 secs Computing kpt #: 281 total cpu time spent up to now is 1900.0 secs Computing kpt #: 282 total cpu time spent up to now is 1904.7 secs Computing kpt #: 283 total cpu time spent up to now is 1909.6 secs Computing kpt #: 284 total cpu time spent up to now is 1914.3 secs Computing kpt #: 285 total cpu time spent up to now is 1919.1 secs Computing kpt #: 286 total cpu time spent up to now is 1923.4 secs Computing kpt #: 287 total cpu time spent up to now is 1927.8 secs Computing kpt #: 288 total cpu time spent up to now is 1932.0 secs Computing kpt #: 289 total cpu time spent up to now is 1936.8 secs Computing kpt #: 290 total cpu time spent up to now is 1941.3 secs Computing kpt #: 291 total cpu time spent up to now is 1945.5 secs Computing kpt #: 292 total cpu time spent up to now is 1950.1 secs Computing kpt #: 293 total cpu time spent up to now is 1954.6 secs Computing kpt #: 294 total cpu time spent up to now is 1959.2 secs Computing kpt #: 295 total cpu time spent up to now is 1963.9 secs Computing kpt #: 296 total cpu time spent up to now is 1968.7 secs Computing kpt #: 297 total cpu time spent up to now is 1973.5 secs Computing kpt #: 298 total cpu time spent up to now is 1978.4 secs Computing kpt #: 299 total cpu time spent up to now is 1983.7 secs Computing kpt #: 300 total cpu time spent up to now is 1989.4 secs Computing kpt #: 301 total cpu time spent up to now is 1995.8 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2002.7 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2010.1 secs Computing kpt #: 304 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2017.4 secs Computing kpt #: 305 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2024.8 secs Computing kpt #: 306 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2032.0 secs Computing kpt #: 307 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2039.1 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2046.2 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2053.2 secs Computing kpt #: 310 total cpu time spent up to now is 2058.6 secs Computing kpt #: 311 total cpu time spent up to now is 2065.1 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2071.9 secs ethr = 1.92E-11, avg # of iterations = 97.4 total cpu time spent up to now is 2072.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4625 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6091 -16.6135 -16.6135 -16.5775 -16.5775 -16.1305 -16.1305 -16.0950 -16.0950 -16.0793 -16.0793 -16.0371 -16.0371 1.1130 1.1130 2.5463 2.5463 5.4584 5.4584 5.6661 5.6661 5.8126 5.8126 6.4519 6.4519 6.6415 6.6415 6.7154 6.7154 6.7347 6.7347 7.1646 7.1646 7.2385 7.2385 7.8093 7.8093 8.3775 8.3775 10.9589 10.9589 11.1835 11.1835 12.3513 12.3513 13.1166 13.1166 13.2954 13.2954 13.3156 13.3156 13.3866 13.3866 13.5126 13.5126 13.7860 13.7860 13.9408 13.9408 k = 0.0116 0.0067-0.0000 ( 4619 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6090 -16.6135 -16.6135 -16.5775 -16.5774 -16.1305 -16.1305 -16.0950 -16.0950 -16.0793 -16.0793 -16.0372 -16.0371 1.1144 1.1145 2.5466 2.5469 5.4589 5.4589 5.6661 5.6661 5.8091 5.8165 6.4424 6.4594 6.6294 6.6543 6.7103 6.7206 6.7226 6.7501 7.1648 7.1648 7.2386 7.2387 7.8097 7.8097 8.3688 8.3859 10.9494 10.9609 11.1792 11.1794 12.3462 12.3548 13.1004 13.1018 13.2796 13.2865 13.3116 13.3161 13.3843 13.3870 13.5120 13.5307 13.7794 13.7957 13.9229 13.9855 k = 0.0233 0.0134-0.0000 ( 4626 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6090 -16.6136 -16.6135 -16.5775 -16.5774 -16.1306 -16.1305 -16.0950 -16.0950 -16.0794 -16.0794 -16.0372 -16.0371 1.1185 1.1188 2.5480 2.5486 5.4601 5.4601 5.6661 5.6661 5.8060 5.8208 6.4306 6.4649 6.6196 6.6636 6.7054 6.7179 6.7259 6.7673 7.1653 7.1654 7.2389 7.2391 7.8109 7.8111 8.3597 8.3941 10.9314 10.9549 11.1666 11.1679 12.3392 12.3563 13.0538 13.0620 13.2452 13.2455 13.3054 13.3082 13.3819 13.3932 13.5297 13.5640 13.7626 13.8107 13.9450 14.0438 k = 0.0349 0.0201-0.0000 ( 4620 PWs) bands (ev): -37.6205 -37.6205 -37.6090 -37.6090 -16.6136 -16.6135 -16.5776 -16.5774 -16.1306 -16.1304 -16.0951 -16.0951 -16.0795 -16.0795 -16.0373 -16.0370 1.1254 1.1259 2.5505 2.5513 5.4622 5.4623 5.6661 5.6662 5.8034 5.8256 6.4169 6.4690 6.6125 6.6637 6.7008 6.7260 6.7312 6.7855 7.1663 7.1666 7.2395 7.2397 7.8129 7.8134 8.3502 8.4021 10.9037 10.9399 11.1475 11.1513 12.3303 12.3557 12.9841 13.0029 13.1808 13.1958 13.2903 13.2919 13.3864 13.4026 13.5643 13.6099 13.7382 13.8229 13.9984 14.1086 k = 0.0465 0.0269-0.0000 ( 4612 PWs) bands (ev): -37.6205 -37.6205 -37.6090 -37.6090 -16.6136 -16.6135 -16.5777 -16.5775 -16.1306 -16.1304 -16.0953 -16.0953 -16.0796 -16.0796 -16.0373 -16.0370 1.1350 1.1358 2.5539 2.5550 5.4651 5.4653 5.6659 5.6663 5.8013 5.8307 6.4016 6.4718 6.6080 6.6568 6.6966 6.7366 6.7442 6.8046 7.1676 7.1683 7.2405 7.2407 7.8157 7.8168 8.3402 8.4102 10.8651 10.9139 11.1250 11.1322 12.3194 12.3527 12.8985 12.9273 13.1042 13.1350 13.2629 13.2718 13.3965 13.4119 13.6110 13.6659 13.7178 13.8260 14.0672 14.1730 k = 0.0581 0.0336-0.0000 ( 4602 PWs) bands (ev): -37.6205 -37.6205 -37.6090 -37.6090 -16.6136 -16.6135 -16.5778 -16.5775 -16.1306 -16.1304 -16.0954 -16.0954 -16.0797 -16.0797 -16.0374 -16.0370 1.1475 1.1484 2.5583 2.5597 5.4687 5.4691 5.6657 5.6665 5.7997 5.8361 6.3850 6.4737 6.6057 6.6480 6.6927 6.7420 6.7673 6.8241 7.1692 7.1705 7.2418 7.2419 7.8191 7.8212 8.3297 8.4183 10.8149 10.8750 11.1024 11.1126 12.3063 12.3464 12.8025 12.8368 13.0224 13.0660 13.2278 13.2462 13.4091 13.4204 13.6513 13.7213 13.7250 13.8245 14.1417 14.2296 k = 0.0698 0.0403-0.0000 ( 4596 PWs) bands (ev): -37.6205 -37.6205 -37.6090 -37.6090 -16.6137 -16.6135 -16.5780 -16.5776 -16.1307 -16.1303 -16.0957 -16.0957 -16.0798 -16.0798 -16.0375 -16.0370 1.1626 1.1638 2.5638 2.5654 5.4731 5.4737 5.6655 5.6667 5.7987 5.8419 6.3677 6.4748 6.6052 6.6395 6.6892 6.7473 6.7927 6.8439 7.1711 7.1732 7.2434 7.2435 7.8231 7.8269 8.3187 8.4267 10.7536 10.8227 11.0817 11.0938 12.2907 12.3352 12.7006 12.7333 12.9387 12.9908 13.1875 13.2154 13.4228 13.4287 13.6567 13.7570 13.7763 13.8514 14.2152 14.2768 k = 0.0814 0.0470-0.0000 ( 4586 PWs) bands (ev): -37.6205 -37.6204 -37.6090 -37.6090 -16.6137 -16.6136 -16.5782 -16.5777 -16.1307 -16.1303 -16.0959 -16.0959 -16.0800 -16.0800 -16.0375 -16.0370 1.1805 1.1819 2.5701 2.5720 5.4781 5.4792 5.6650 5.6670 5.7981 5.8481 6.3501 6.4752 6.6061 6.6322 6.6863 6.7525 6.8193 6.8639 7.1732 7.1766 7.2452 7.2456 7.8277 7.8338 8.3073 8.4356 10.6826 10.7583 11.0631 11.0759 12.2722 12.3154 12.5983 12.6193 12.8539 12.9108 13.1443 13.1799 13.4372 13.4374 13.6519 13.7486 13.8559 13.9239 14.2823 14.3192 k = 0.0930 0.0537-0.0000 ( 4586 PWs) bands (ev): -37.6205 -37.6204 -37.6090 -37.6090 -16.6138 -16.6136 -16.5784 -16.5779 -16.1307 -16.1303 -16.0962 -16.0962 -16.0802 -16.0802 -16.0376 -16.0370 1.2010 1.2026 2.5774 2.5796 5.4838 5.4854 5.6645 5.6674 5.7980 5.8545 6.3324 6.4752 6.6082 6.6265 6.6839 6.7576 6.8465 6.8838 7.1755 7.1805 7.2472 7.2483 7.8327 7.8420 8.2953 8.4450 10.6033 10.6838 11.0461 11.0586 12.2503 12.2786 12.4974 12.5051 12.7681 12.8269 13.1007 13.1406 13.4463 13.4529 13.6488 13.7313 13.9458 14.0126 14.3391 14.3594 k = 0.1047 0.0604-0.0000 ( 4580 PWs) bands (ev): -37.6204 -37.6204 -37.6090 -37.6089 -16.6139 -16.6137 -16.5786 -16.5780 -16.1308 -16.1302 -16.0965 -16.0965 -16.0805 -16.0805 -16.0377 -16.0370 1.2242 1.2260 2.5856 2.5880 5.4900 5.4923 5.6638 5.6679 5.7985 5.8612 6.3148 6.4747 6.6111 6.6226 6.6822 6.7626 6.8739 6.9036 7.1779 7.1851 7.2496 7.2515 7.8380 7.8516 8.2830 8.4552 10.5176 10.6015 11.0298 11.0415 12.2116 12.2248 12.3696 12.4348 12.6813 12.7401 13.0586 13.0991 13.4564 13.4692 13.6485 13.7147 14.0422 14.1081 14.3854 14.3973 k = 0.1163 0.0671-0.0000 ( 4580 PWs) bands (ev): -37.6204 -37.6204 -37.6090 -37.6089 -16.6139 -16.6137 -16.5788 -16.5782 -16.1308 -16.1302 -16.0969 -16.0969 -16.0808 -16.0808 -16.0378 -16.0371 1.2499 1.2519 2.5946 2.5972 5.4967 5.5000 5.6630 5.6685 5.7995 5.8681 6.2977 6.4738 6.6146 6.6207 6.6813 6.7675 6.9011 6.9230 7.1805 7.1903 7.2524 7.2555 7.8436 7.8625 8.2704 8.4665 10.4268 10.5131 11.0135 11.0243 12.1127 12.1951 12.2375 12.3896 12.5937 12.6508 13.0193 13.0570 13.4675 13.4863 13.6506 13.7006 14.1433 14.2067 14.4235 14.4325 k = 0.1279 0.0738-0.0000 ( 4590 PWs) bands (ev): -37.6204 -37.6203 -37.6089 -37.6089 -16.6140 -16.6138 -16.5791 -16.5785 -16.1308 -16.1302 -16.0973 -16.0973 -16.0811 -16.0811 -16.0379 -16.0371 1.2781 1.2804 2.6045 2.6073 5.5038 5.5082 5.6621 5.6693 5.8010 5.8753 6.2810 6.4727 6.6186 6.6208 6.6811 6.7721 6.9278 6.9420 7.1832 7.1962 7.2555 7.2601 7.8491 7.8747 8.2577 8.4790 10.3323 10.4201 10.9968 11.0066 11.9941 12.1012 12.1620 12.3575 12.5056 12.5599 12.9836 13.0159 13.4796 13.5041 13.6546 13.6891 14.2472 14.3046 14.4557 14.4644 k = 0.1395 0.0806-0.0000 ( 4582 PWs) bands (ev): -37.6203 -37.6203 -37.6089 -37.6089 -16.6141 -16.6139 -16.5793 -16.5787 -16.1308 -16.1302 -16.0977 -16.0977 -16.0814 -16.0814 -16.0380 -16.0372 1.3088 1.3114 2.6151 2.6180 5.5110 5.5171 5.6612 5.6703 5.8031 5.8827 6.2650 6.4715 6.6227 6.6229 6.6817 6.7766 6.9538 6.9605 7.1859 7.2028 7.2590 7.2656 7.8546 7.8880 8.2452 8.4930 10.2351 10.3238 10.9793 10.9882 11.8656 11.9633 12.1235 12.3292 12.4178 12.4678 12.9520 12.9773 13.4926 13.5228 13.6599 13.6796 14.3516 14.3944 14.4836 14.4926 k = 0.1512 0.0873-0.0000 ( 4562 PWs) bands (ev): -37.6203 -37.6203 -37.6089 -37.6088 -16.6142 -16.6139 -16.5796 -16.5789 -16.1308 -16.1302 -16.0981 -16.0981 -16.0817 -16.0817 -16.0381 -16.0372 1.3418 1.3447 2.6263 2.6295 5.5184 5.5265 5.6603 5.6716 5.8057 5.8903 6.2497 6.4703 6.6268 6.6269 6.6833 6.7810 6.9783 6.9787 7.1886 7.2100 7.2630 7.2719 7.8597 7.9019 8.2332 8.5086 10.1362 10.2252 10.9609 10.9689 11.7318 11.8236 12.0802 12.3006 12.3311 12.3749 12.9244 12.9419 13.5064 13.5420 13.6660 13.6713 14.4521 14.4576 14.5080 14.5171 k = 0.1628 0.0940-0.0000 ( 4556 PWs) bands (ev): -37.6203 -37.6202 -37.6089 -37.6088 -16.6143 -16.6140 -16.5798 -16.5791 -16.1309 -16.1302 -16.0986 -16.0985 -16.0821 -16.0821 -16.0382 -16.0372 1.3772 1.3803 2.6383 2.6416 5.5255 5.5363 5.6598 5.6731 5.8088 5.8981 6.2352 6.4693 6.6308 6.6323 6.6859 6.7852 6.9953 7.0023 7.1912 7.2180 7.2674 7.2792 7.8643 7.9160 8.2224 8.5261 10.0366 10.1252 10.9411 10.9480 11.5952 11.6829 12.0316 12.2465 12.2691 12.2824 12.9008 12.9104 13.5208 13.5617 13.6635 13.6726 14.4758 14.5278 14.5349 14.5388 k = 0.1744 0.1007-0.0000 ( 4556 PWs) bands (ev): -37.6202 -37.6202 -37.6088 -37.6088 -16.6144 -16.6141 -16.5801 -16.5793 -16.1310 -16.1302 -16.0991 -16.0990 -16.0825 -16.0825 -16.0383 -16.0373 1.4148 1.4182 2.6507 2.6542 5.5322 5.5464 5.6596 5.6749 5.8126 5.9061 6.2215 6.4687 6.6344 6.6394 6.6894 6.7894 7.0116 7.0246 7.1937 7.2267 7.2725 7.2874 7.8681 7.9292 8.2136 8.5456 9.9370 10.0245 10.9195 10.9249 11.4577 11.5420 11.9768 12.1656 12.1881 12.2365 12.8806 12.8830 13.5353 13.5816 13.6557 13.6793 14.4664 14.5466 14.5576 14.5621 k = 0.1860 0.1074-0.0000 ( 4558 PWs) bands (ev): -37.6202 -37.6201 -37.6088 -37.6088 -16.6146 -16.6143 -16.5804 -16.5796 -16.1310 -16.1302 -16.0996 -16.0995 -16.0829 -16.0829 -16.0384 -16.0374 1.4545 1.4583 2.6637 2.6673 5.5382 5.5566 5.6601 5.6770 5.8170 5.9142 6.2087 6.4687 6.6372 6.6479 6.6939 6.7936 7.0272 7.0452 7.1961 7.2360 7.2781 7.2966 7.8711 7.9402 8.2080 8.5671 9.8383 9.9238 10.8955 10.8983 11.3215 11.4019 11.9151 12.0896 12.0953 12.1996 12.8595 12.8633 13.5496 13.6008 13.6478 13.6859 14.4496 14.5454 14.5672 14.5730 k = 0.1977 0.1141-0.0000 ( 4558 PWs) bands (ev): -37.6202 -37.6201 -37.6088 -37.6087 -16.6147 -16.6144 -16.5807 -16.5799 -16.1310 -16.1302 -16.1001 -16.1000 -16.0834 -16.0833 -16.0385 -16.0374 1.4962 1.5003 2.6771 2.6808 5.5432 5.5669 5.6616 5.6794 5.8222 5.9224 6.1969 6.4693 6.6392 6.6574 6.6995 6.7979 7.0419 7.0643 7.1982 7.2460 7.2845 7.3068 7.8731 7.9475 8.2069 8.5907 9.7413 9.8239 10.8651 10.8677 11.1905 11.2646 11.8465 12.0030 12.0193 12.1598 12.8395 12.8487 13.5631 13.6153 13.6436 13.6925 14.4331 14.5245 14.5810 14.5847 k = 0.2093 0.1208-0.0000 ( 4558 PWs) bands (ev): -37.6201 -37.6201 -37.6088 -37.6087 -16.6148 -16.6145 -16.5811 -16.5802 -16.1311 -16.1302 -16.1006 -16.1006 -16.0838 -16.0837 -16.0386 -16.0376 1.5398 1.5443 2.6908 2.6947 5.5469 5.5770 5.6642 5.6822 5.8282 5.9308 6.1861 6.4706 6.6400 6.6679 6.7062 6.8024 7.0559 7.0815 7.2000 7.2566 7.2918 7.3180 7.8740 7.9497 8.2115 8.6163 9.6469 9.7255 10.8183 10.8328 11.0721 11.1336 11.7720 11.9115 11.9543 12.1173 12.8228 12.8361 13.5750 13.6137 13.6539 13.6994 14.4196 14.5027 14.5911 14.5937 k = 0.2209 0.1276-0.0000 ( 4558 PWs) bands (ev): -37.6201 -37.6200 -37.6087 -37.6087 -16.6149 -16.6146 -16.5814 -16.5805 -16.1311 -16.1303 -16.1012 -16.1011 -16.0842 -16.0842 -16.0387 -16.0376 1.5852 1.5900 2.7048 2.7088 5.5492 5.5868 5.6681 5.6854 5.8352 5.9392 6.1765 6.4728 6.6393 6.6791 6.7139 6.8073 7.0693 7.0971 7.2015 7.2677 7.2999 7.3302 7.8738 7.9459 8.2222 8.6435 9.5559 9.6294 10.7453 10.7827 10.9794 11.0173 11.6934 11.8211 11.8931 12.0723 12.8087 12.8252 13.5843 13.6016 13.6730 13.7071 14.4103 14.4832 14.5855 14.6043 k = 0.2326 0.1343-0.0000 ( 4560 PWs) bands (ev): -37.6200 -37.6200 -37.6087 -37.6086 -16.6151 -16.6147 -16.5817 -16.5809 -16.1312 -16.1303 -16.1018 -16.1017 -16.0846 -16.0846 -16.0388 -16.0377 1.6322 1.6375 2.7188 2.7230 5.5501 5.5961 5.6733 5.6888 5.8434 5.9477 6.1679 6.4758 6.6370 6.6908 6.7226 6.8127 7.0821 7.1110 7.2025 7.2793 7.3090 7.3432 7.8724 7.9362 8.2383 8.6719 9.4693 9.5364 10.6414 10.7044 10.9178 10.9292 11.6126 11.7320 11.8345 12.0253 12.7968 12.8156 13.5860 13.5899 13.6938 13.7162 14.4054 14.4664 14.5539 14.5994 k = 0.2442 0.1410-0.0000 ( 4574 PWs) bands (ev): -37.6200 -37.6199 -37.6087 -37.6086 -16.6152 -16.6149 -16.5821 -16.5812 -16.1312 -16.1303 -16.1024 -16.1023 -16.0851 -16.0850 -16.0389 -16.0379 1.6807 1.6864 2.7330 2.7372 5.5497 5.6047 5.6795 5.6925 5.8530 5.9563 6.1604 6.4795 6.6328 6.7026 6.7323 6.8186 7.0943 7.1233 7.2031 7.2912 7.3191 7.3571 7.8699 7.9216 8.2584 8.7007 9.3882 9.4477 10.5181 10.5959 10.8717 10.8762 11.5309 11.6443 11.7774 11.9764 12.7868 12.8071 13.5685 13.5912 13.7151 13.7273 14.4039 14.4502 14.5066 14.5479 k = 0.2558 0.1477-0.0000 ( 4588 PWs) bands (ev): -37.6199 -37.6199 -37.6086 -37.6086 -16.6154 -16.6150 -16.5824 -16.5816 -16.1313 -16.1304 -16.1030 -16.1029 -16.0855 -16.0855 -16.0390 -16.0380 1.7306 1.7366 2.7470 2.7514 5.5482 5.6125 5.6866 5.6963 5.8642 5.9650 6.1541 6.4841 6.6266 6.7140 6.7431 6.8250 7.1061 7.1341 7.2033 7.3035 7.3302 7.3718 7.8665 7.9029 8.2805 8.7284 9.3137 9.3647 10.3866 10.4705 10.8319 10.8438 11.4495 11.5583 11.7211 11.9259 12.7781 12.7994 13.5497 13.5881 13.7364 13.7406 14.4002 14.4264 14.4633 14.5078 k = 0.2674 0.1544-0.0000 ( 4586 PWs) bands (ev): -37.6199 -37.6198 -37.6086 -37.6085 -16.6155 -16.6152 -16.5828 -16.5819 -16.1313 -16.1305 -16.1035 -16.1034 -16.0859 -16.0859 -16.0391 -16.0381 1.7816 1.7881 2.7609 2.7654 5.5459 5.6193 5.6943 5.7003 5.8771 5.9737 6.1490 6.4894 6.6182 6.7247 6.7551 6.8320 7.1175 7.1438 7.2030 7.3159 7.3423 7.3871 7.8623 7.8814 8.3028 8.7531 9.2472 9.2897 10.2525 10.3386 10.7999 10.8157 11.3690 11.4741 11.6653 11.8741 12.7707 12.7925 13.5302 13.5809 13.7557 13.7576 14.3764 14.3871 14.4456 14.4912 k = 0.2791 0.1611-0.0000 ( 4592 PWs) bands (ev): -37.6198 -37.6198 -37.6086 -37.6085 -16.6156 -16.6153 -16.5831 -16.5822 -16.1314 -16.1305 -16.1041 -16.1040 -16.0864 -16.0863 -16.0392 -16.0382 1.8336 1.8405 2.7745 2.7791 5.5431 5.6251 5.7022 5.7042 5.8917 5.9825 6.1449 6.4952 6.6078 6.7339 6.7685 6.8394 7.1286 7.1526 7.2024 7.3285 7.3552 7.4030 7.8574 7.8579 8.3232 8.7711 9.1899 9.2261 10.1185 10.2050 10.7714 10.7897 11.2899 11.3919 11.6098 11.8211 12.7643 12.7861 13.5104 13.5704 13.7721 13.7785 14.3343 14.3398 14.4519 14.4910 k = 0.2907 0.1678-0.0000 ( 4586 PWs) bands (ev): -37.6198 -37.6198 -37.6085 -37.6085 -16.6157 -16.6154 -16.5834 -16.5826 -16.1314 -16.1305 -16.1047 -16.1045 -16.0867 -16.0867 -16.0393 -16.0383 1.8864 1.8937 2.7877 2.7925 5.5401 5.6299 5.7081 5.7101 5.9082 5.9913 6.1420 6.5013 6.5953 6.7411 6.7833 6.8474 7.1395 7.1608 7.2014 7.3412 7.3691 7.4192 7.8332 7.8521 8.3399 8.7775 9.1433 9.1786 9.9862 10.0719 10.7449 10.7649 11.2128 11.3119 11.5546 11.7671 12.7588 12.7803 13.4907 13.5573 13.7894 13.7990 14.2897 14.2918 14.4658 14.4995 k = 0.3023 0.1745-0.0000 ( 4586 PWs) bands (ev): -37.6198 -37.6197 -37.6085 -37.6084 -16.6158 -16.6155 -16.5837 -16.5829 -16.1314 -16.1306 -16.1052 -16.1051 -16.0871 -16.0871 -16.0393 -16.0384 1.9397 1.9474 2.8004 2.8053 5.5371 5.6338 5.7119 5.7177 5.9265 6.0001 6.1402 6.5074 6.5809 6.7457 6.7996 6.8557 7.1502 7.1686 7.2005 7.3538 7.3837 7.4358 7.8080 7.8467 8.3510 8.7674 9.1083 9.1515 9.8568 9.9410 10.7196 10.7409 11.1378 11.2342 11.4995 11.7124 12.7541 12.7750 13.4714 13.5423 13.8070 13.8189 14.2459 14.2465 14.4796 14.5135 k = 0.3140 0.1813-0.0000 ( 4582 PWs) bands (ev): -37.6197 -37.6197 -37.6085 -37.6084 -16.6160 -16.6157 -16.5840 -16.5832 -16.1314 -16.1306 -16.1057 -16.1056 -16.0875 -16.0875 -16.0394 -16.0385 1.9934 2.0015 2.8124 2.8175 5.5343 5.6368 5.7155 5.7249 5.9464 6.0089 6.1395 6.5132 6.5647 6.7473 6.8173 6.8643 7.1607 7.1760 7.2000 7.3662 7.3990 7.4525 7.7830 7.8415 8.3553 8.7400 9.0852 9.1446 9.7315 9.8140 10.6953 10.7176 11.0654 11.1591 11.4448 11.6569 12.7502 12.7703 13.4527 13.5260 13.8248 13.8383 14.2027 14.2056 14.4786 14.5193 k = 0.3256 0.1880-0.0000 ( 4578 PWs) bands (ev): -37.6197 -37.6196 -37.6084 -37.6084 -16.6161 -16.6158 -16.5843 -16.5835 -16.1314 -16.1306 -16.1062 -16.1061 -16.0879 -16.0879 -16.0394 -16.0385 2.0471 2.0556 2.8236 2.8289 5.5320 5.6390 5.7189 5.7314 5.9675 6.0177 6.1398 6.5180 6.5471 6.7456 6.8362 6.8731 7.1710 7.1823 7.2015 7.3785 7.4150 7.4692 7.7589 7.8366 8.3525 8.6995 9.0727 9.1516 9.6122 9.6932 10.6718 10.6948 10.9959 11.0867 11.3905 11.6009 12.7471 12.7661 13.4347 13.5088 13.8423 13.8569 14.1626 14.1674 14.4508 14.4709 k = 0.3372 0.1947-0.0000 ( 4572 PWs) bands (ev): -37.6196 -37.6196 -37.6084 -37.6084 -16.6162 -16.6159 -16.5845 -16.5838 -16.1314 -16.1307 -16.1067 -16.1066 -16.0883 -16.0882 -16.0395 -16.0386 2.1006 2.1094 2.8339 2.8394 5.5302 5.6406 5.7220 5.7371 5.9897 6.0265 6.1412 6.5214 6.5284 6.7405 6.8561 6.8821 7.1810 7.1861 7.2070 7.3904 7.4316 7.4857 7.7361 7.8324 8.3431 8.6517 9.0674 9.1619 9.5018 9.5833 10.6493 10.6726 10.9294 11.0173 11.3368 11.5446 12.7448 12.7626 13.4175 13.4910 13.8594 13.8747 14.1257 14.1319 14.4129 14.4260 k = 0.3488 0.2014-0.0000 ( 4568 PWs) bands (ev): -37.6196 -37.6196 -37.6084 -37.6083 -16.6163 -16.6160 -16.5848 -16.5841 -16.1315 -16.1307 -16.1072 -16.1070 -16.0886 -16.0886 -16.0395 -16.0387 2.1536 2.1628 2.8432 2.8489 5.5292 5.6416 5.7248 5.7419 6.0123 6.0352 6.1438 6.5091 6.5225 6.7324 6.8769 6.8911 7.1876 7.1909 7.2170 7.4019 7.4487 7.5021 7.7151 7.8290 8.3282 8.6009 9.0619 9.1611 9.4064 9.4948 10.6278 10.6511 10.8664 10.9510 11.2839 11.4882 12.7432 12.7597 13.4010 13.4729 13.8759 13.8916 14.0919 14.0992 14.3738 14.3839 k = 0.3605 0.2081-0.0000 ( 4568 PWs) bands (ev): -37.6196 -37.6195 -37.6084 -37.6083 -16.6164 -16.6161 -16.5850 -16.5843 -16.1315 -16.1308 -16.1076 -16.1075 -16.0890 -16.0889 -16.0395 -16.0388 2.2057 2.2152 2.8513 2.8572 5.5291 5.6423 5.7270 5.7457 6.0348 6.0438 6.1476 6.4900 6.5203 6.7217 6.8980 6.9001 7.1885 7.2004 7.2306 7.4130 7.4663 7.5181 7.6961 7.8266 8.3093 8.5498 9.0431 9.1300 9.3377 9.4440 10.6074 10.6304 10.8069 10.8880 11.2322 11.4320 12.7426 12.7575 13.3854 13.4547 13.8917 13.9073 14.0611 14.0693 14.3361 14.3449 k = 0.3721 0.2148-0.0000 ( 4568 PWs) bands (ev): -37.6195 -37.6195 -37.6083 -37.6083 -16.6165 -16.6162 -16.5852 -16.5846 -16.1315 -16.1308 -16.1080 -16.1079 -16.0893 -16.0892 -16.0396 -16.0389 2.2568 2.2665 2.8582 2.8642 5.5299 5.6427 5.7287 5.7485 6.0523 6.0564 6.1527 6.4720 6.5141 6.7094 6.9091 6.9189 7.1901 7.2096 7.2472 7.4237 7.4843 7.5336 7.6791 7.8253 8.2880 8.4997 8.9973 9.0625 9.3075 9.4352 10.5883 10.6105 10.7514 10.8286 11.1820 11.3760 12.7427 12.7561 13.3705 13.4365 13.9065 13.9219 14.0332 14.0421 14.3007 14.3092 k = 0.3837 0.2215-0.0000 ( 4576 PWs) bands (ev): -37.6195 -37.6195 -37.6083 -37.6083 -16.6166 -16.6164 -16.5855 -16.5849 -16.1315 -16.1309 -16.1084 -16.1083 -16.0896 -16.0895 -16.0396 -16.0390 2.3063 2.3162 2.8637 2.8699 5.5318 5.6429 5.7297 5.7503 6.0607 6.0762 6.1592 6.4561 6.5029 6.6966 6.9180 6.9388 7.1929 7.2182 7.2672 7.4339 7.5025 7.5487 7.6642 7.8250 8.2653 8.4513 8.9279 8.9741 9.3114 9.4523 10.5706 10.5915 10.6999 10.7730 11.1337 11.3207 12.7435 12.7553 13.3565 13.4185 13.9203 13.9349 14.0083 14.0179 14.2680 14.2766 k = 0.3953 0.2283-0.0000 ( 4568 PWs) bands (ev): -37.6195 -37.6194 -37.6083 -37.6082 -16.6166 -16.6164 -16.5856 -16.5851 -16.1315 -16.1310 -16.1088 -16.1087 -16.0898 -16.0898 -16.0396 -16.0390 2.3540 2.3639 2.8677 2.8741 5.5349 5.6431 5.7298 5.7510 6.0689 6.0936 6.1668 6.4437 6.4866 6.6841 6.9268 6.9568 7.1971 7.2264 7.2909 7.4437 7.5208 7.5632 7.6510 7.8256 8.2422 8.4050 8.8482 8.8791 9.3349 9.4805 10.5545 10.5737 10.6528 10.7214 11.0880 11.2665 12.7450 12.7553 13.3433 13.4007 13.9330 13.9457 13.9861 13.9972 14.2383 14.2473 k = 0.4070 0.2350-0.0000 ( 4568 PWs) bands (ev): -37.6194 -37.6194 -37.6083 -37.6082 -16.6167 -16.6165 -16.5858 -16.5853 -16.1315 -16.1310 -16.1091 -16.1090 -16.0901 -16.0900 -16.0396 -16.0391 2.3994 2.4093 2.8703 2.8768 5.5391 5.6430 5.7291 5.7507 6.0770 6.1083 6.1745 6.4361 6.4654 6.6721 6.9355 6.9722 7.2028 7.2338 7.3187 7.4532 7.5389 7.5769 7.6396 7.8267 8.2194 8.3605 8.7674 8.7847 9.3681 9.5124 10.5401 10.5570 10.6103 10.6742 11.0453 11.2135 12.7472 12.7558 13.3311 13.3835 13.9445 13.9519 13.9666 13.9822 14.2118 14.2212 k = 0.4186 0.2417-0.0000 ( 4568 PWs) bands (ev): -37.6194 -37.6194 -37.6082 -37.6082 -16.6168 -16.6166 -16.5859 -16.5855 -16.1315 -16.1311 -16.1093 -16.1093 -16.0903 -16.0902 -16.0396 -16.0392 2.4421 2.4518 2.8714 2.8779 5.5445 5.6427 5.7277 5.7494 6.0849 6.1206 6.1812 6.4346 6.4403 6.6605 6.9439 6.9843 7.2097 7.2405 7.3509 7.4626 7.5567 7.5897 7.6297 7.8278 8.1973 8.3176 8.6901 8.6951 9.4057 9.5442 10.5275 10.5416 10.5727 10.6316 11.0065 11.1624 12.7497 12.7569 13.3200 13.3670 13.9475 13.9494 13.9551 13.9788 14.1886 14.1983 k = 0.4302 0.2484-0.0000 ( 4568 PWs) bands (ev): -37.6194 -37.6194 -37.6082 -37.6082 -16.6169 -16.6167 -16.5860 -16.5857 -16.1315 -16.1311 -16.1096 -16.1095 -16.0905 -16.0904 -16.0396 -16.0392 2.4816 2.4909 2.8710 2.8774 5.5512 5.6418 5.7258 5.7473 6.0926 6.1310 6.1861 6.4125 6.4397 6.6488 6.9522 6.9931 7.2173 7.2461 7.3872 7.4719 7.5735 7.6014 7.6216 7.8281 8.1763 8.2758 8.6134 8.6190 9.4450 9.5735 10.5167 10.5272 10.5404 10.5941 10.9723 11.1136 12.7526 12.7583 13.3102 13.3513 13.9351 13.9362 13.9639 13.9831 14.1688 14.1785 k = 0.4419 0.2551-0.0000 ( 4568 PWs) bands (ev): -37.6194 -37.6194 -37.6082 -37.6082 -16.6169 -16.6168 -16.5861 -16.5858 -16.1315 -16.1312 -16.1098 -16.1098 -16.0906 -16.0906 -16.0396 -16.0393 2.5174 2.5260 2.8695 2.8756 5.5589 5.6400 5.7237 5.7445 6.1001 6.1394 6.1897 6.3833 6.4509 6.6362 6.9602 6.9987 7.2252 7.2507 7.4266 7.4814 7.5878 7.6117 7.6170 7.8265 8.1566 8.2348 8.5423 8.5556 9.4839 9.5986 10.5063 10.5136 10.5151 10.5623 10.9438 11.0679 12.7555 12.7599 13.3019 13.3368 13.9231 13.9249 13.9717 13.9881 14.1525 14.1619 k = 0.4535 0.2618-0.0000 ( 4558 PWs) bands (ev): -37.6194 -37.6193 -37.6082 -37.6082 -16.6169 -16.6168 -16.5862 -16.5859 -16.1315 -16.1312 -16.1100 -16.1099 -16.0908 -16.0907 -16.0396 -16.0393 2.5487 2.5564 2.8671 2.8727 5.5677 5.6369 5.7220 5.7410 6.1074 6.1450 6.1942 6.3539 6.4671 6.6224 6.9678 7.0015 7.2328 7.2541 7.4668 7.4910 7.5954 7.6202 7.6212 7.8212 8.1385 8.1952 8.4841 8.5014 9.5209 9.6181 10.4890 10.5002 10.5040 10.5372 10.9218 11.0259 12.7583 12.7616 13.2954 13.3237 13.9134 13.9152 13.9782 13.9921 14.1397 14.1483 k = 0.4651 0.2685-0.0000 ( 4556 PWs) bands (ev): -37.6194 -37.6193 -37.6082 -37.6082 -16.6169 -16.6169 -16.5862 -16.5861 -16.1315 -16.1313 -16.1101 -16.1101 -16.0908 -16.0908 -16.0396 -16.0394 2.5749 2.5813 2.8643 2.8691 5.5772 5.6321 5.7211 5.7372 6.1146 6.1468 6.2021 6.3253 6.4865 6.6071 6.9750 7.0020 7.2398 7.2562 7.5006 7.5023 7.5984 7.6263 7.6356 7.8100 8.1228 8.1589 8.4402 8.4573 9.5546 9.6311 10.4732 10.4864 10.4991 10.5195 10.9071 10.9884 12.7608 12.7631 13.2908 13.3123 13.9060 13.9075 13.9837 13.9946 14.1304 14.1375 k = 0.4767 0.2752-0.0000 ( 4550 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6169 -16.6169 -16.5863 -16.5861 -16.1315 -16.1313 -16.1102 -16.1102 -16.0909 -16.0909 -16.0395 -16.0394 2.5951 2.5997 2.8618 2.8653 5.5874 5.6255 5.7215 5.7332 6.1215 6.1448 6.2144 6.2981 6.5078 6.5900 6.9817 7.0004 7.2457 7.2569 7.5102 7.5244 7.6061 7.6298 7.6577 7.7905 8.1102 8.1295 8.4108 8.4241 9.5838 9.6366 10.4625 10.4734 10.4965 10.5082 10.9005 10.9564 12.7628 12.7643 13.2884 13.3029 13.9008 13.9019 13.9881 13.9957 14.1243 14.1295 k = 0.4884 0.2820-0.0000 ( 4550 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6169 -16.6169 -16.5863 -16.5862 -16.1314 -16.1313 -16.1103 -16.1102 -16.0909 -16.0909 -16.0395 -16.0395 2.6082 2.6107 2.8603 2.8622 5.5977 5.6173 5.7231 5.7293 6.1283 6.1404 6.2307 6.2730 6.5295 6.5712 6.9878 6.9974 7.2506 7.2562 7.5192 7.5302 7.6176 7.6298 7.6890 7.7619 8.1024 8.1101 8.3953 8.4025 9.6075 9.6345 10.4574 10.4634 10.4960 10.5014 10.9024 10.9309 12.7642 12.7649 13.2884 13.2957 13.8978 13.8984 13.9915 13.9954 14.1214 14.1241 k = 0.5000 0.2887-0.0000 ( 4542 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6169 -16.6169 -16.5862 -16.5862 -16.1314 -16.1314 -16.1103 -16.1103 -16.0909 -16.0909 -16.0395 -16.0395 2.6136 2.6136 2.8604 2.8604 5.6079 5.6079 5.7258 5.7258 6.1347 6.1347 6.2504 6.2504 6.5509 6.5509 6.9931 6.9931 7.2541 7.2541 7.5266 7.5266 7.6260 7.6260 7.7262 7.7262 8.1016 8.1016 8.3927 8.3927 9.6246 9.6246 10.4578 10.4578 10.4975 10.4975 10.9126 10.9126 12.7649 12.7649 13.2908 13.2908 13.8970 13.8970 13.9940 13.9940 14.1214 14.1214 k = 0.5000 0.2887-0.0000 ( 4542 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6169 -16.6169 -16.5862 -16.5862 -16.1314 -16.1314 -16.1103 -16.1103 -16.0909 -16.0909 -16.0395 -16.0395 2.6136 2.6136 2.8604 2.8604 5.6079 5.6079 5.7258 5.7258 6.1347 6.1347 6.2504 6.2504 6.5509 6.5509 6.9931 6.9931 7.2541 7.2541 7.5266 7.5266 7.6260 7.6260 7.7262 7.7262 8.1016 8.1016 8.3927 8.3927 9.6246 9.6246 10.4578 10.4578 10.4975 10.4975 10.9126 10.9126 12.7649 12.7649 13.2908 13.2908 13.8970 13.8970 13.9940 13.9940 14.1214 14.1214 k = 0.4933 0.3002-0.0000 ( 4542 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6169 -16.6169 -16.5863 -16.5862 -16.1314 -16.1314 -16.1103 -16.1102 -16.0910 -16.0909 -16.0395 -16.0395 2.6139 2.6144 2.8606 2.8607 5.6082 5.6097 5.7216 5.7312 6.1270 6.1421 6.2439 6.2572 6.5496 6.5526 6.9922 6.9938 7.2458 7.2614 7.5253 7.5275 7.6229 7.6291 7.7245 7.7265 8.0860 8.1165 8.3857 8.4009 9.6175 9.6277 10.4459 10.4605 10.4731 10.5209 10.9017 10.9252 12.7648 12.7706 13.2882 13.2942 13.8937 13.8964 13.9919 13.9953 14.1224 14.1266 k = 0.4867 0.3118-0.0000 ( 4554 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6170 -16.6169 -16.5863 -16.5863 -16.1314 -16.1314 -16.1103 -16.1102 -16.0911 -16.0909 -16.0395 -16.0395 2.6155 2.6164 2.8614 2.8615 5.6108 5.6137 5.7186 5.7378 6.1191 6.1491 6.2379 6.2643 6.5488 6.5548 6.9910 6.9943 7.2367 7.2675 7.5238 7.5279 7.6199 7.6323 7.7216 7.7253 8.0699 8.1309 8.3799 8.4101 9.6064 9.6266 10.4205 10.4337 10.4819 10.5344 10.8926 10.9393 12.7703 12.7813 13.2863 13.2981 13.8869 13.8922 13.9890 13.9959 14.1292 14.1374 k = 0.4800 0.3233-0.0000 ( 4564 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6170 -16.6170 -16.5863 -16.5863 -16.1314 -16.1314 -16.1104 -16.1103 -16.0911 -16.0909 -16.0396 -16.0395 2.6182 2.6196 2.8626 2.8629 5.6156 5.6198 5.7168 5.7457 6.1110 6.1559 6.2322 6.2717 6.5483 6.5575 6.9895 6.9945 7.2269 7.2723 7.5222 7.5276 7.6169 7.6355 7.7174 7.7227 8.0533 8.1445 8.3754 8.4203 9.5912 9.6207 10.3712 10.4216 10.4918 10.5383 10.8851 10.9544 12.7812 12.7963 13.2851 13.3027 13.8771 13.8850 13.9855 13.9958 14.1410 14.1527 k = 0.4733 0.3349-0.0000 ( 4576 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6170 -16.6170 -16.5864 -16.5863 -16.1314 -16.1314 -16.1105 -16.1103 -16.0913 -16.0910 -16.0396 -16.0395 2.6221 2.6240 2.8643 2.8647 5.6226 5.6278 5.7161 5.7548 6.1029 6.1622 6.2269 6.2795 6.5481 6.5608 6.9875 6.9944 7.2167 7.2756 7.5206 7.5266 7.6140 7.6386 7.7122 7.7186 8.0362 8.1574 8.3722 8.4313 9.5716 9.6091 10.3173 10.4101 10.5007 10.5341 10.8792 10.9700 12.7970 12.8148 13.2847 13.3077 13.8651 13.8756 13.9815 13.9951 14.1565 14.1712 k = 0.4667 0.3464-0.0000 ( 4594 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6171 -16.6171 -16.5864 -16.5864 -16.1315 -16.1314 -16.1106 -16.1104 -16.0914 -16.0911 -16.0397 -16.0395 2.6271 2.6295 2.8664 2.8669 5.6319 5.6377 5.7166 5.7652 6.0947 6.1680 6.2221 6.2876 6.5481 6.5647 6.9850 6.9940 7.2063 7.2773 7.5192 7.5248 7.6112 7.6417 7.7063 7.7132 8.0188 8.1696 8.3703 8.4429 9.5473 9.5906 10.2615 10.3992 10.5084 10.5232 10.8744 10.9855 12.8168 12.8358 13.2850 13.3131 13.8516 13.8645 13.9771 13.9938 14.1746 14.1916 k = 0.4600 0.3580-0.0000 ( 4582 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6171 -16.6170 -16.5864 -16.5864 -16.1314 -16.1313 -16.1107 -16.1104 -16.0915 -16.0911 -16.0397 -16.0395 2.6332 2.6361 2.8690 2.8696 5.6432 5.6492 5.7183 5.7768 6.0867 6.1735 6.2177 6.2960 6.5483 6.5693 6.9818 6.9931 7.1957 7.2773 7.5183 7.5222 7.6083 7.6444 7.6997 7.7067 8.0011 8.1810 8.3697 8.4550 9.5183 9.5636 10.2074 10.3894 10.5078 10.5149 10.8705 11.0003 12.8398 12.8585 13.2861 13.3188 13.8370 13.8520 13.9726 13.9923 14.1940 14.2125 k = 0.4533 0.3695-0.0000 ( 4582 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6171 -16.6171 -16.5865 -16.5864 -16.1314 -16.1313 -16.1107 -16.1104 -16.0916 -16.0912 -16.0398 -16.0396 2.6404 2.6437 2.8719 2.8727 5.6564 5.6622 5.7214 5.7896 6.0788 6.1784 6.2139 6.3046 6.5485 6.5745 6.9778 6.9916 7.1853 7.2757 7.5177 7.5186 7.6052 7.6463 7.6929 7.6997 7.9834 8.1917 8.3704 8.4675 9.4843 9.5264 10.1582 10.3803 10.4899 10.5202 10.8670 11.0139 12.8650 12.8821 13.2879 13.3247 13.8215 13.8383 13.9682 13.9906 14.2136 14.2327 k = 0.4467 0.3811-0.0000 ( 4576 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6171 -16.6171 -16.5865 -16.5864 -16.1314 -16.1313 -16.1108 -16.1105 -16.0917 -16.0912 -16.0398 -16.0396 2.6486 2.6523 2.8750 2.8760 5.6710 5.6765 5.7261 5.8036 6.0713 6.1829 6.2107 6.3135 6.5487 6.5805 6.9729 6.9893 7.1751 7.2725 7.5141 7.5176 7.6016 7.6467 7.6860 7.6931 7.9660 8.2015 8.3723 8.4802 9.4454 9.4779 10.1166 10.3721 10.4717 10.5244 10.8634 11.0258 12.8915 12.9061 13.2903 13.3306 13.8051 13.8235 13.9643 13.9889 14.2325 14.2510 k = 0.4400 0.3926-0.0000 ( 4568 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6081 -16.6171 -16.6171 -16.5866 -16.5865 -16.1313 -16.1312 -16.1109 -16.1105 -16.0918 -16.0913 -16.0399 -16.0396 2.6578 2.6619 2.8784 2.8796 5.6865 5.6917 5.7330 5.8186 6.0643 6.1870 6.2083 6.3226 6.5487 6.5872 6.9669 6.9861 7.1654 7.2679 7.5086 7.5179 7.5973 7.6443 7.6794 7.6882 7.9490 8.2106 8.3754 8.4929 9.4016 9.4180 10.0843 10.3642 10.4551 10.5279 10.8591 11.0355 12.9185 12.9299 13.2933 13.3364 13.7879 13.8076 13.9610 13.9875 14.2495 14.2666 k = 0.4333 0.4041-0.0000 ( 4572 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6081 -16.6171 -16.6171 -16.5866 -16.5865 -16.1313 -16.1312 -16.1111 -16.1106 -16.0919 -16.0913 -16.0399 -16.0397 2.6678 2.6723 2.8818 2.8833 5.7013 5.7076 5.7432 5.8345 6.0581 6.1906 6.2068 6.3320 6.5484 6.5947 6.9595 6.9815 7.1563 7.2623 7.5022 7.5183 7.5918 7.6379 7.6732 7.6863 7.9330 8.2189 8.3795 8.5055 9.3477 9.3535 10.0614 10.3560 10.4420 10.5307 10.8536 11.0426 12.9455 12.9533 13.2970 13.3421 13.7699 13.7904 13.9588 13.9867 14.2637 14.2785 k = 0.4267 0.4157-0.0000 ( 4568 PWs) bands (ev): -37.6193 -37.6193 -37.6081 -37.6081 -16.6171 -16.6171 -16.5867 -16.5866 -16.1313 -16.1311 -16.1112 -16.1107 -16.0921 -16.0914 -16.0400 -16.0397 2.6787 2.6836 2.8853 2.8870 5.7140 5.7239 5.7583 5.8509 6.0527 6.1937 6.2064 6.3417 6.5476 6.6030 6.9509 6.9756 7.1479 7.2560 7.4950 7.5185 7.5849 7.6282 7.6676 7.6872 7.9186 8.2266 8.3845 8.5179 9.2692 9.3017 10.0473 10.3472 10.4337 10.5332 10.8463 11.0467 12.9721 12.9760 13.3012 13.3476 13.7510 13.7720 13.9579 13.9867 14.2746 14.2864 k = 0.4200 0.4272-0.0000 ( 4564 PWs) bands (ev): -37.6193 -37.6193 -37.6081 -37.6081 -16.6172 -16.6171 -16.5867 -16.5866 -16.1313 -16.1311 -16.1113 -16.1107 -16.0922 -16.0915 -16.0400 -16.0397 2.6903 2.6955 2.8887 2.8907 5.7243 5.7403 5.7781 5.8675 6.0486 6.1964 6.2076 6.3516 6.5462 6.6120 6.9407 6.9679 7.1403 7.2494 7.4868 7.5177 7.5763 7.6167 7.6625 7.6900 7.9064 8.2336 8.3903 8.5298 9.1848 9.2468 10.0408 10.3381 10.4307 10.5354 10.8367 11.0476 12.9979 12.9979 13.3060 13.3530 13.7312 13.7523 13.9586 13.9878 14.2815 14.2901 k = 0.4133 0.4388-0.0000 ( 4572 PWs) bands (ev): -37.6193 -37.6193 -37.6081 -37.6081 -16.6172 -16.6172 -16.5868 -16.5867 -16.1312 -16.1311 -16.1115 -16.1109 -16.0924 -16.0916 -16.0401 -16.0398 2.7026 2.7081 2.8919 2.8942 5.7331 5.7562 5.8015 5.8838 6.0459 6.1988 6.2107 6.3618 6.5441 6.6217 6.9290 6.9585 7.1334 7.2428 7.4780 7.5149 7.5657 7.6051 7.6577 7.6938 7.8974 8.2401 8.3968 8.5412 9.0968 9.1897 10.0405 10.3294 10.4326 10.5376 10.8244 11.0448 13.0189 13.0226 13.3113 13.3582 13.7104 13.7313 13.9612 13.9901 14.2842 14.2896 k = 0.4067 0.4503-0.0000 ( 4574 PWs) bands (ev): -37.6193 -37.6192 -37.6081 -37.6081 -16.6172 -16.6172 -16.5869 -16.5867 -16.1312 -16.1310 -16.1116 -16.1109 -16.0925 -16.0917 -16.0401 -16.0399 2.7154 2.7212 2.8948 2.8975 5.7411 5.7714 5.8274 5.8991 6.0448 6.2008 6.2164 6.3725 6.5410 6.6321 6.9158 6.9472 7.1274 7.2366 7.4685 7.5087 7.5532 7.5952 7.6528 7.6981 7.8922 8.2463 8.4038 8.5519 9.0076 9.1315 10.0456 10.3219 10.4389 10.5398 10.8090 11.0382 13.0392 13.0462 13.3172 13.3634 13.6888 13.7090 13.9657 13.9939 14.2829 14.2855 k = 0.4000 0.4619-0.0000 ( 4570 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6172 -16.6172 -16.5869 -16.5868 -16.1312 -16.1310 -16.1117 -16.1110 -16.0926 -16.0918 -16.0402 -16.0399 2.7287 2.7348 2.8972 2.9003 5.7489 5.7854 5.8549 5.9130 6.0452 6.2025 6.2251 6.3835 6.5369 6.6430 6.9008 6.9343 7.1222 7.2309 7.4586 7.4979 7.5389 7.5883 7.6476 7.7027 7.8914 8.2520 8.4112 8.5619 8.9189 9.0728 10.0552 10.3162 10.4488 10.5422 10.7904 11.0275 13.0586 13.0686 13.3238 13.3687 13.6663 13.6856 13.9724 13.9994 14.2779 14.2782 k = 0.3933 0.4734-0.0000 ( 4562 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6172 -16.6172 -16.5870 -16.5868 -16.1311 -16.1310 -16.1118 -16.1111 -16.0927 -16.0919 -16.0402 -16.0400 2.7424 2.7487 2.8990 2.9026 5.7566 5.7977 5.8833 5.9254 6.0470 6.2041 6.2375 6.3951 6.5317 6.6542 6.8842 6.9201 7.1178 7.2258 7.4484 7.4826 7.5230 7.5847 7.6421 7.7073 7.8956 8.2573 8.4189 8.5711 8.8325 9.0147 10.0686 10.3127 10.4620 10.5445 10.7686 11.0126 13.0772 13.0898 13.3310 13.3743 13.6432 13.6611 13.9811 14.0066 14.2683 14.2696 k = 0.3867 0.4850-0.0000 ( 4556 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6172 -16.6172 -16.5871 -16.5869 -16.1311 -16.1309 -16.1119 -16.1112 -16.0928 -16.0919 -16.0402 -16.0400 2.7564 2.7629 2.9001 2.9042 5.7643 5.8081 5.9120 5.9364 6.0494 6.2055 6.2538 6.4073 6.5254 6.6653 6.8657 6.9053 7.1142 7.2210 7.4381 7.4637 7.5059 7.5838 7.6363 7.7117 7.9046 8.2618 8.4267 8.5795 8.7502 8.9578 10.0853 10.3116 10.4783 10.5465 10.7440 10.9934 13.0950 13.1096 13.3389 13.3804 13.6195 13.6357 13.9917 14.0155 14.2564 14.2586 k = 0.3800 0.4965-0.0000 ( 4548 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6172 -16.5871 -16.5869 -16.1310 -16.1309 -16.1120 -16.1113 -16.0929 -16.0920 -16.0402 -16.0400 2.7705 2.7771 2.9003 2.9049 5.7719 5.8161 5.9401 5.9464 6.0519 6.2068 6.2739 6.4201 6.5181 6.6758 6.8453 6.8908 7.1116 7.2161 7.4280 7.4428 7.4881 7.5845 7.6303 7.7159 7.9184 8.2650 8.4343 8.5868 8.6742 8.9027 10.1050 10.3130 10.4973 10.5475 10.7173 10.9700 13.1121 13.1281 13.3475 13.3870 13.5955 13.6096 14.0042 14.0262 14.2430 14.2455 k = 0.3733 0.5081-0.0000 ( 4548 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5871 -16.5870 -16.1310 -16.1309 -16.1121 -16.1113 -16.0931 -16.0921 -16.0403 -16.0401 2.7846 2.7913 2.8995 2.9046 5.7794 5.8216 5.9560 5.9670 6.0541 6.2082 6.2971 6.4334 6.5101 6.6848 6.8230 6.8778 7.1100 7.2106 7.4183 7.4215 7.4700 7.5861 7.6244 7.7196 7.9367 8.2655 8.4413 8.5933 8.6070 8.8500 10.1272 10.3169 10.5189 10.5460 10.6902 10.9424 13.1284 13.1450 13.3568 13.3945 13.5715 13.5832 14.0182 14.0385 14.2285 14.2308 k = 0.3667 0.5196-0.0000 ( 4543 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5870 -16.1310 -16.1309 -16.1122 -16.1114 -16.0931 -16.0922 -16.0403 -16.0401 2.7987 2.8054 2.8975 2.9032 5.7867 5.8248 5.9650 5.9916 6.0558 6.2098 6.3224 6.4465 6.5022 6.6914 6.7990 6.8681 7.1098 7.2035 7.4016 7.4094 7.4522 7.5882 7.6188 7.7228 7.9592 8.2611 8.4459 8.5536 8.5986 8.8002 10.1517 10.3232 10.5389 10.5429 10.6661 10.9108 13.1437 13.1602 13.3667 13.4027 13.5478 13.5566 14.0334 14.0522 14.2131 14.2149 k = 0.3600 0.5312-0.0000 ( 4539 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5871 -16.1310 -16.1309 -16.1123 -16.1114 -16.0932 -16.0922 -16.0403 -16.0402 2.8125 2.8191 2.8941 2.9005 5.7938 5.8259 5.9734 6.0133 6.0570 6.2116 6.3485 6.4572 6.4965 6.6947 6.7737 6.8628 7.1113 7.1941 7.3851 7.4016 7.4351 7.5904 7.6135 7.7255 7.9853 8.2486 8.4441 8.5218 8.6026 8.7540 10.1780 10.3319 10.5221 10.5692 10.6496 10.8755 13.1579 13.1733 13.3770 13.4118 13.5251 13.5306 14.0494 14.0671 14.1974 14.1982 k = 0.3533 0.5427-0.0000 ( 4535 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5871 -16.1309 -16.1308 -16.1123 -16.1115 -16.0933 -16.0923 -16.0403 -16.0402 2.8260 2.8324 2.8891 2.8964 5.8004 5.8253 5.9807 6.0310 6.0579 6.2136 6.3739 6.4601 6.4981 6.6949 6.7484 6.8624 7.1149 7.1819 7.3737 7.3952 7.4190 7.5926 7.6087 7.7274 8.0149 8.2256 8.4348 8.5153 8.6046 8.7126 10.2055 10.3429 10.4939 10.5975 10.6434 10.8369 13.1707 13.1840 13.3877 13.4219 13.5038 13.5057 14.0658 14.0829 14.1811 14.1815 k = 0.3467 0.5543-0.0000 ( 4545 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5872 -16.1309 -16.1309 -16.1124 -16.1115 -16.0933 -16.0923 -16.0403 -16.0402 2.8391 2.8449 2.8825 2.8908 5.8065 5.8233 5.9862 6.0443 6.0585 6.2155 6.3970 6.4541 6.5069 6.6935 6.7248 6.8655 7.1206 7.1675 7.3687 7.3904 7.4041 7.5947 7.6045 7.7288 8.0473 8.1935 8.4263 8.5248 8.6019 8.6788 10.2330 10.3562 10.4575 10.6270 10.6455 10.7958 13.1816 13.1916 13.3981 13.4327 13.4831 13.4849 14.0819 14.0992 14.1644 14.1657 k = 0.3400 0.5658-0.0000 ( 4547 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5872 -16.1309 -16.1309 -16.1124 -16.1116 -16.0934 -16.0924 -16.0403 -16.0403 2.8515 2.8560 2.8740 2.8842 5.8120 5.8203 5.9896 6.0530 6.0585 6.2170 6.4165 6.4439 6.5157 6.6932 6.7061 6.8697 7.1288 7.1524 7.3703 7.3873 7.3905 7.5966 7.6010 7.7295 8.0821 8.1566 8.4224 8.5425 8.5893 8.6586 10.2577 10.3716 10.4188 10.6533 10.6552 10.7552 13.1900 13.1955 13.4068 13.4444 13.4648 13.4692 14.0959 14.1153 14.1495 14.1506 k = 0.3333 0.5774-0.0000 ( 4545 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5872 -16.1309 -16.1309 -16.1124 -16.1116 -16.0934 -16.0924 -16.0403 -16.0403 2.8621 2.8621 2.8646 2.8798 5.8166 5.8166 5.9908 6.0572 6.0572 6.2176 6.4317 6.4317 6.5192 6.6959 6.6959 6.8717 7.1392 7.1392 7.3784 7.3784 7.3864 7.5985 7.5985 7.7297 8.1187 8.1187 8.4215 8.5661 8.5661 8.6532 10.2701 10.3891 10.3891 10.6651 10.6651 10.7319 13.1950 13.1950 13.4106 13.4554 13.4554 13.4590 14.1027 14.1259 14.1414 14.1414 k = 0.3333 0.5774-0.0000 ( 4545 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5872 -16.1309 -16.1309 -16.1124 -16.1116 -16.0934 -16.0924 -16.0403 -16.0403 2.8621 2.8621 2.8646 2.8798 5.8166 5.8166 5.9908 6.0572 6.0572 6.2176 6.4317 6.4317 6.5192 6.6959 6.6959 6.8717 7.1392 7.1392 7.3784 7.3784 7.3864 7.5985 7.5985 7.7297 8.1187 8.1187 8.4215 8.5661 8.5661 8.6532 10.2701 10.3891 10.3891 10.6651 10.6651 10.7319 13.1950 13.1950 13.4106 13.4554 13.4554 13.4590 14.1027 14.1259 14.1414 14.1414 k = 0.3265 0.5656-0.0000 ( 4547 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5872 -16.1309 -16.1309 -16.1124 -16.1116 -16.0934 -16.0924 -16.0403 -16.0403 2.8502 2.8556 2.8746 2.8849 5.8122 5.8200 5.9896 6.0539 6.0574 6.2168 6.4172 6.4432 6.5157 6.6967 6.7032 6.8688 7.1299 7.1517 7.3679 7.3876 7.3928 7.5973 7.6005 7.7295 8.0821 8.1571 8.4219 8.5387 8.5954 8.6567 10.2522 10.3871 10.4090 10.6306 10.6806 10.7524 13.1895 13.1955 13.4075 13.4503 13.4578 13.4704 14.0955 14.1162 14.1467 14.1528 k = 0.3197 0.5538-0.0000 ( 4545 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5872 -16.1309 -16.1308 -16.1124 -16.1115 -16.0933 -16.0923 -16.0403 -16.0402 2.8348 2.8420 2.8848 2.8936 5.8074 5.8220 5.9862 6.0475 6.0540 6.2145 6.3997 6.4522 6.5075 6.7069 6.7147 6.8594 7.1259 7.1651 7.3594 7.3914 7.4123 7.5982 7.6029 7.7290 8.0498 8.1954 8.4225 8.5125 8.6296 8.6656 10.2080 10.4097 10.4308 10.5795 10.6995 10.7892 13.1790 13.1904 13.4031 13.4483 13.4675 13.4841 14.0809 14.1023 14.1587 14.1684 k = 0.3129 0.5420-0.0000 ( 4545 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5871 -16.1309 -16.1308 -16.1123 -16.1115 -16.0933 -16.0923 -16.0403 -16.0402 2.8168 2.8250 2.8941 2.9021 5.8023 5.8222 5.9804 6.0380 6.0477 6.2106 6.3784 6.4606 6.4993 6.7227 6.7295 6.8439 7.1265 7.1779 7.3531 7.3981 7.4352 7.6018 7.6060 7.7282 8.0237 8.2323 8.4229 8.4899 8.6682 8.6793 10.1533 10.4413 10.4537 10.5244 10.7217 10.8307 13.1640 13.1797 13.4023 13.4507 13.4799 13.4984 14.0647 14.0886 14.1718 14.1837 k = 0.3061 0.5302-0.0000 ( 4541 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5870 -16.1310 -16.1308 -16.1122 -16.1114 -16.0932 -16.0922 -16.0403 -16.0401 2.7961 2.8051 2.9021 2.9098 5.7971 5.8200 5.9716 6.0258 6.0395 6.2053 6.3538 6.4701 6.4939 6.7407 6.7463 6.8242 7.1297 7.1885 7.3490 7.4076 7.4589 7.6095 7.6103 7.7270 8.0066 8.2659 8.4227 8.4725 8.6984 8.7110 10.0942 10.4572 10.4761 10.4880 10.7477 10.8752 13.1457 13.1641 13.4059 13.4570 13.4934 13.5128 14.0483 14.0757 14.1845 14.1983 k = 0.2993 0.5184-0.0000 ( 4549 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5871 -16.5870 -16.1310 -16.1308 -16.1121 -16.1113 -16.0931 -16.0922 -16.0403 -16.0401 2.7726 2.7822 2.9090 2.9162 5.7917 5.8152 5.9589 6.0128 6.0303 6.1990 6.3270 6.4817 6.4918 6.7587 6.7634 6.8024 7.1340 7.1954 7.3467 7.4194 7.4799 7.6157 7.6227 7.7252 8.0018 8.2942 8.4221 8.4621 8.7238 8.7577 10.0329 10.4006 10.5115 10.5119 10.7775 10.9219 13.1248 13.1448 13.4133 13.4661 13.5073 13.5275 14.0322 14.0638 14.1964 14.2122 k = 0.2925 0.5067-0.0000 ( 4545 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6172 -16.5871 -16.5869 -16.1311 -16.1308 -16.1120 -16.1112 -16.0930 -16.0920 -16.0403 -16.0400 2.7463 2.7564 2.9145 2.9215 5.7861 5.8074 5.9413 6.0006 6.0210 6.1917 6.2995 6.4928 6.4956 6.7729 6.7756 6.7877 7.1383 7.1983 7.3456 7.4318 7.4954 7.6209 7.6426 7.7223 8.0133 8.3161 8.4211 8.4600 8.7567 8.8078 9.9705 10.3384 10.5409 10.5479 10.8114 10.9708 13.1023 13.1231 13.4238 13.4775 13.5213 13.5421 14.0167 14.0529 14.2078 14.2253 k = 0.2857 0.4949-0.0000 ( 4543 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6172 -16.5870 -16.5867 -16.1311 -16.1308 -16.1118 -16.1110 -16.0928 -16.0919 -16.0403 -16.0400 2.7172 2.7277 2.9187 2.9254 5.7804 5.7965 5.9194 5.9901 6.0124 6.1833 6.2725 6.4963 6.5112 6.7544 6.7907 6.8012 7.1418 7.1978 7.3450 7.4430 7.5045 7.6230 7.6695 7.7188 8.0437 8.3325 8.4199 8.4661 8.7972 8.8613 9.9076 10.2745 10.5727 10.5839 10.8495 11.0216 13.0787 13.0999 13.4364 13.4905 13.5352 13.5566 14.0020 14.0432 14.2189 14.2380 k = 0.2789 0.4831-0.0000 ( 4551 PWs) bands (ev): -37.6193 -37.6192 -37.6081 -37.6081 -16.6172 -16.6171 -16.5869 -16.5866 -16.1311 -16.1308 -16.1116 -16.1109 -16.0927 -16.0918 -16.0403 -16.0399 2.6852 2.6960 2.9216 2.9279 5.7744 5.7828 5.8945 5.9810 6.0050 6.1736 6.2472 6.5016 6.5274 6.7344 6.8037 6.8174 7.1444 7.1947 7.3444 7.4518 7.5081 7.6197 7.7019 7.7155 8.0928 8.3475 8.4187 8.4785 8.8454 8.9177 9.8448 10.2096 10.6065 10.6197 10.8917 11.0741 13.0546 13.0760 13.4506 13.5047 13.5488 13.5709 13.9883 14.0348 14.2300 14.2506 k = 0.2721 0.4713-0.0000 ( 4559 PWs) bands (ev): -37.6193 -37.6192 -37.6081 -37.6081 -16.6172 -16.6171 -16.5869 -16.5865 -16.1312 -16.1308 -16.1114 -16.1107 -16.0925 -16.0916 -16.0403 -16.0398 2.6504 2.6614 2.9230 2.9291 5.7669 5.7682 5.8684 5.9725 5.9989 6.1615 6.2249 6.5084 6.5428 6.7176 6.8144 6.8328 7.1461 7.1898 7.3435 7.4580 7.5075 7.6101 7.7136 7.7367 8.1583 8.3661 8.4178 8.4949 8.9005 8.9769 9.7825 10.1438 10.6423 10.6555 10.9376 11.1284 13.0303 13.0518 13.4659 13.5197 13.5620 13.5847 13.9757 14.0279 14.2415 14.2634 k = 0.2653 0.4595-0.0000 ( 4557 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6081 -16.6171 -16.6170 -16.5867 -16.5864 -16.1312 -16.1308 -16.1111 -16.1105 -16.0922 -16.0914 -16.0402 -16.0397 2.6129 2.6240 2.9230 2.9288 5.7494 5.7614 5.8424 5.9644 5.9939 6.1463 6.2068 6.5164 6.5550 6.7059 6.8229 6.8471 7.1469 7.1838 7.3420 7.4622 7.5037 7.5956 7.7134 7.7702 8.2367 8.3924 8.4178 8.5143 8.9618 9.0386 9.7211 10.0777 10.6802 10.6918 10.9870 11.1842 13.0062 13.0279 13.4821 13.5353 13.5746 13.5980 13.9643 14.0226 14.2538 14.2767 k = 0.2585 0.4477-0.0000 ( 4557 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6081 -16.6171 -16.6169 -16.5866 -16.5862 -16.1312 -16.1308 -16.1109 -16.1102 -16.0920 -16.0912 -16.0402 -16.0397 2.5727 2.5839 2.9216 2.9272 5.7312 5.7537 5.8179 5.9565 5.9896 6.1279 6.1930 6.5252 6.5618 6.7014 6.8290 6.8601 7.1470 7.1773 7.3401 7.4646 7.4973 7.5782 7.7146 7.7993 8.3240 8.4199 8.4285 8.5375 9.0282 9.1025 9.6613 10.0115 10.7202 10.7289 11.0393 11.2414 12.9825 13.0044 13.4989 13.5512 13.5865 13.6106 13.9546 14.0190 14.2673 14.2910 k = 0.2517 0.4360-0.0000 ( 4563 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6170 -16.6168 -16.5865 -16.5860 -16.1313 -16.1308 -16.1106 -16.1099 -16.0917 -16.0909 -16.0402 -16.0396 2.5301 2.5413 2.9188 2.9241 5.7130 5.7444 5.7961 5.9486 5.9858 6.1073 6.1826 6.5347 6.5618 6.7047 6.8330 6.8717 7.1466 7.1704 7.3377 7.4657 7.4884 7.5600 7.7170 7.8221 8.3989 8.4436 8.4729 8.5677 9.0989 9.1682 9.6037 9.9455 10.7623 10.7672 11.0940 11.2997 12.9593 12.9816 13.5161 13.5671 13.5976 13.6224 13.9466 14.0173 14.2823 14.3064 k = 0.2449 0.4242-0.0000 ( 4563 PWs) bands (ev): -37.6194 -37.6193 -37.6082 -37.6082 -16.6170 -16.6168 -16.5863 -16.5858 -16.1313 -16.1308 -16.1102 -16.1096 -16.0915 -16.0907 -16.0401 -16.0395 2.4851 2.4963 2.9146 2.9198 5.6953 5.7327 5.7781 5.9406 5.9817 6.0862 6.1743 6.5446 6.5562 6.7141 6.8347 6.8818 7.1459 7.1634 7.3350 7.4654 7.4767 7.5426 7.7203 7.8381 8.4121 8.5183 8.5365 8.6123 9.1732 9.2348 9.5495 9.8802 10.8064 10.8070 11.1508 11.3592 12.9368 12.9595 13.5336 13.5827 13.6077 13.6331 13.9407 14.0177 14.2990 14.3232 k = 0.2381 0.4124-0.0000 ( 4567 PWs) bands (ev): -37.6194 -37.6194 -37.6082 -37.6082 -16.6169 -16.6167 -16.5861 -16.5856 -16.1313 -16.1307 -16.1098 -16.1093 -16.0912 -16.0904 -16.0401 -16.0394 2.4381 2.4491 2.9092 2.9141 5.6786 5.7186 5.7644 5.9325 5.9768 6.0657 6.1674 6.5472 6.5548 6.7266 6.8344 6.8904 7.1450 7.1565 7.3321 7.4621 7.4640 7.5271 7.7248 7.8482 8.4154 8.5568 8.6459 8.6783 9.2504 9.3004 9.5010 9.8161 10.8488 10.8528 11.2092 11.4195 12.9151 12.9385 13.5510 13.5976 13.6168 13.6426 13.9375 14.0205 14.3176 14.3418 k = 0.2313 0.4006-0.0000 ( 4563 PWs) bands (ev): -37.6194 -37.6194 -37.6083 -37.6082 -16.6168 -16.6166 -16.5859 -16.5853 -16.1313 -16.1307 -16.1094 -16.1090 -16.0908 -16.0901 -16.0400 -16.0393 2.3891 2.4000 2.9025 2.9072 5.6631 5.7032 5.7538 5.9244 5.9701 6.0471 6.1614 6.5368 6.5651 6.7397 6.8321 6.8974 7.1442 7.1497 7.3291 7.4448 7.4612 7.5139 7.7305 7.8538 8.4180 8.5892 8.7614 8.7629 9.3301 9.3556 9.4683 9.7538 10.8926 10.9015 11.2688 11.4805 12.8943 12.9185 13.5682 13.6115 13.6247 13.6509 13.9372 14.0260 14.3384 14.3622 k = 0.2245 0.3888-0.0000 ( 4571 PWs) bands (ev): -37.6195 -37.6194 -37.6083 -37.6082 -16.6167 -16.6165 -16.5857 -16.5851 -16.1313 -16.1307 -16.1090 -16.1086 -16.0905 -16.0898 -16.0400 -16.0392 2.3385 2.3491 2.8945 2.8992 5.6492 5.6878 5.7450 5.9163 5.9605 6.0314 6.1562 6.5260 6.5752 6.7517 6.8280 6.9029 7.1431 7.1436 7.3261 7.4256 7.4571 7.5025 7.7376 7.8565 8.4203 8.6194 8.8604 8.8817 9.3652 9.4118 9.4872 9.6938 10.9388 10.9523 11.3290 11.5417 12.8746 12.8996 13.5847 13.6238 13.6314 13.6578 13.9405 14.0343 14.3614 14.3846 k = 0.2177 0.3770-0.0000 ( 4573 PWs) bands (ev): -37.6195 -37.6195 -37.6083 -37.6083 -16.6166 -16.6164 -16.5855 -16.5848 -16.1314 -16.1307 -16.1086 -16.1082 -16.0901 -16.0895 -16.0399 -16.0391 2.2865 2.2969 2.8855 2.8900 5.6367 5.6735 5.7371 5.9082 5.9474 6.0193 6.1516 6.5157 6.5851 6.7614 6.8222 6.9068 7.1365 7.1433 7.3231 7.4055 7.4516 7.4922 7.7463 7.8575 8.4219 8.6491 8.9672 9.0058 9.3389 9.4949 9.5490 9.6374 10.9873 11.0054 11.3895 11.6031 12.8561 12.8821 13.6001 13.6343 13.6373 13.6634 13.9477 14.0460 14.3866 14.4091 k = 0.2109 0.3653-0.0000 ( 4573 PWs) bands (ev): -37.6195 -37.6195 -37.6083 -37.6083 -16.6165 -16.6162 -16.5852 -16.5845 -16.1314 -16.1306 -16.1081 -16.1077 -16.0897 -16.0891 -16.0398 -16.0390 2.2334 2.2434 2.8755 2.8799 5.6258 5.6606 5.7294 5.9001 5.9311 6.0105 6.1477 6.5060 6.5945 6.7682 6.8150 6.9091 7.1301 7.1433 7.3202 7.3852 7.4446 7.4826 7.7569 7.8576 8.4221 8.6785 9.0809 9.1327 9.3109 9.5740 9.5908 9.6211 11.0385 11.0608 11.4499 11.6642 12.8388 12.8659 13.6134 13.6424 13.6429 13.6675 13.9593 14.0613 14.4140 14.4357 k = 0.2041 0.3535-0.0000 ( 4583 PWs) bands (ev): -37.6196 -37.6195 -37.6084 -37.6083 -16.6164 -16.6161 -16.5850 -16.5843 -16.1314 -16.1306 -16.1077 -16.1073 -16.0893 -16.0888 -16.0398 -16.0389 2.1794 2.1890 2.8645 2.8688 5.6164 5.6493 5.7219 5.8922 5.9127 6.0039 6.1446 6.4972 6.6034 6.7719 6.8065 6.9098 7.1238 7.1436 7.3173 7.3651 7.4362 7.4729 7.7695 7.8577 8.4202 8.7070 9.1992 9.2521 9.2990 9.5393 9.6658 9.6966 11.0922 11.1185 11.5097 11.7245 12.8231 12.8512 13.6227 13.6481 13.6497 13.6704 13.9755 14.0805 14.4433 14.4641 k = 0.1973 0.3417-0.0000 ( 4579 PWs) bands (ev): -37.6196 -37.6196 -37.6084 -37.6083 -16.6163 -16.6160 -16.5847 -16.5840 -16.1314 -16.1306 -16.1071 -16.1068 -16.0889 -16.0884 -16.0397 -16.0388 2.1248 2.1340 2.8526 2.8569 5.6084 5.6395 5.7142 5.8845 5.8932 5.9985 6.1422 6.4895 6.6117 6.7723 6.7971 6.9089 7.1175 7.1440 7.3144 7.3457 7.4264 7.4629 7.7842 7.8580 8.4152 8.7334 9.2650 9.3176 9.4046 9.5067 9.7515 9.7737 11.1485 11.1785 11.5685 11.7839 12.8089 12.8382 13.6270 13.6513 13.6588 13.6722 13.9962 14.1039 14.4739 14.4934 k = 0.1905 0.3299-0.0000 ( 4575 PWs) bands (ev): -37.6197 -37.6196 -37.6084 -37.6084 -16.6162 -16.6159 -16.5844 -16.5836 -16.1314 -16.1306 -16.1066 -16.1063 -16.0885 -16.0880 -16.0396 -16.0386 2.0698 2.0787 2.8400 2.8442 5.6017 5.6312 5.7064 5.8733 5.8770 5.9936 6.1408 6.4827 6.6191 6.7698 6.7870 6.9066 7.1113 7.1442 7.3115 7.3272 7.4154 7.4524 7.8007 7.8588 8.4066 8.7559 9.2605 9.4082 9.5152 9.5397 9.8376 9.8519 11.2075 11.2408 11.6258 11.8417 12.7967 12.8269 13.6272 13.6519 13.6689 13.6732 14.0214 14.1319 14.5042 14.5184 k = 0.1837 0.3181-0.0000 ( 4583 PWs) bands (ev): -37.6197 -37.6196 -37.6085 -37.6084 -16.6161 -16.6158 -16.5841 -16.5833 -16.1314 -16.1305 -16.1060 -16.1058 -16.0881 -16.0877 -16.0395 -16.0385 2.0147 2.0231 2.8268 2.8309 5.5960 5.6242 5.6984 5.8534 5.8697 5.9888 6.1403 6.4770 6.6257 6.7646 6.7764 6.9029 7.1051 7.1442 7.3084 7.3096 7.4034 7.4413 7.8189 7.8602 8.3938 8.7723 9.2653 9.4226 9.6154 9.6782 9.9236 9.9308 11.2690 11.3053 11.6812 11.8975 12.7865 12.8175 13.6245 13.6502 13.6737 13.6787 14.0505 14.1644 14.5187 14.5282 k = 0.1769 0.3063-0.0000 ( 4583 PWs) bands (ev): -37.6197 -37.6197 -37.6085 -37.6084 -16.6159 -16.6156 -16.5838 -16.5830 -16.1314 -16.1305 -16.1055 -16.1052 -16.0877 -16.0873 -16.0394 -16.0384 1.9598 1.9678 2.8130 2.8171 5.5913 5.6183 5.6904 5.8338 5.8628 5.9837 6.1408 6.4722 6.6315 6.7572 6.7655 6.8980 7.0989 7.1436 7.2931 7.3051 7.3905 7.4294 7.8383 7.8621 8.3770 8.7808 9.2805 9.4237 9.7459 9.8186 10.0091 10.0104 11.3329 11.3721 11.7343 11.9508 12.7786 12.8101 13.6196 13.6462 13.6739 13.6874 14.0834 14.2017 14.5055 14.5273 k = 0.1701 0.2946-0.0000 ( 4575 PWs) bands (ev): -37.6198 -37.6197 -37.6085 -37.6085 -16.6158 -16.6155 -16.5835 -16.5826 -16.1313 -16.1305 -16.1049 -16.1047 -16.0872 -16.0868 -16.0393 -16.0383 1.9052 1.9127 2.7988 2.8029 5.5872 5.6132 5.6824 5.8147 5.8563 5.9784 6.1425 6.4684 6.6362 6.7480 6.7546 6.8921 7.0925 7.1422 7.2778 7.3016 7.3771 7.4169 7.8584 7.8643 8.3566 8.7801 9.3062 9.4355 9.8838 9.9600 10.0910 10.0938 11.3992 11.4410 11.7848 12.0012 12.7734 12.8049 13.6130 13.6402 13.6741 13.6946 14.1194 14.2435 14.4944 14.5182 k = 0.1633 0.2828-0.0000 ( 4571 PWs) bands (ev): -37.6198 -37.6198 -37.6086 -37.6085 -16.6157 -16.6153 -16.5832 -16.5823 -16.1313 -16.1304 -16.1043 -16.1041 -16.0867 -16.0864 -16.0392 -16.0382 1.8512 1.8583 2.7843 2.7883 5.5836 5.6085 5.6747 5.7963 5.8501 5.9726 6.1453 6.4654 6.6401 6.7374 6.7439 6.8854 7.0860 7.1397 7.2637 7.2977 7.3632 7.4038 7.8667 7.8787 8.3334 8.7704 9.3420 9.4609 10.0253 10.0984 10.1758 10.1774 11.4677 11.5121 11.8324 12.0480 12.7710 12.8019 13.6049 13.6325 13.6743 13.7002 14.1578 14.2895 14.4882 14.5127 k = 0.1565 0.2710-0.0000 ( 4569 PWs) bands (ev): -37.6199 -37.6198 -37.6086 -37.6085 -16.6155 -16.6152 -16.5829 -16.5820 -16.1312 -16.1304 -16.1037 -16.1036 -16.0862 -16.0859 -16.0392 -16.0381 1.7980 1.8047 2.7695 2.7735 5.5803 5.6040 5.6676 5.7789 5.8444 5.9664 6.1493 6.4632 6.6430 6.7258 6.7335 6.8779 7.0791 7.1358 7.2510 7.2935 7.3493 7.3902 7.8690 7.8985 8.3086 8.7533 9.3870 9.4995 10.1689 10.2170 10.2597 10.2812 11.5383 11.5851 11.8769 12.0911 12.7716 12.8012 13.5956 13.6232 13.6747 13.7039 14.1979 14.3384 14.4889 14.5128 k = 0.1497 0.2592-0.0000 ( 4561 PWs) bands (ev): -37.6199 -37.6199 -37.6086 -37.6086 -16.6153 -16.6150 -16.5825 -16.5816 -16.1312 -16.1303 -16.1031 -16.1030 -16.0857 -16.0855 -16.0391 -16.0380 1.7458 1.7521 2.7545 2.7585 5.5770 5.5991 5.6614 5.7625 5.8389 5.9598 6.1544 6.4617 6.6450 6.7136 6.7236 6.8700 7.0720 7.1304 7.2396 7.2889 7.3356 7.3764 7.8712 7.9170 8.2834 8.7308 9.4403 9.5494 10.3048 10.3107 10.3440 10.4173 11.6107 11.6601 11.9183 12.1301 12.7757 12.8030 13.5851 13.6127 13.6753 13.7059 14.2386 14.3873 14.4996 14.5191 k = 0.1429 0.2474-0.0000 ( 4557 PWs) bands (ev): -37.6200 -37.6199 -37.6087 -37.6086 -16.6152 -16.6149 -16.5822 -16.5813 -16.1312 -16.1303 -16.1025 -16.1024 -16.0853 -16.0850 -16.0390 -16.0379 1.6948 1.7006 2.7395 2.7435 5.5735 5.5935 5.6564 5.7474 5.8339 5.9528 6.1607 6.4609 6.6460 6.7012 6.7143 6.8616 7.0643 7.1230 7.2297 7.2837 7.3224 7.3625 7.8728 7.9332 8.2595 8.7049 9.5011 9.6086 10.3823 10.4106 10.4693 10.5633 11.6845 11.7369 11.9569 12.1651 12.7832 12.8073 13.5738 13.6011 13.6761 13.7061 14.2785 14.4297 14.5266 14.5310 k = 0.1361 0.2357-0.0000 ( 4553 PWs) bands (ev): -37.6200 -37.6200 -37.6087 -37.6086 -16.6151 -16.6147 -16.5818 -16.5810 -16.1311 -16.1303 -16.1019 -16.1019 -16.0848 -16.0846 -16.0389 -16.0378 1.6452 1.6506 2.7246 2.7285 5.5695 5.5870 5.6528 5.7336 5.8292 5.9456 6.1680 6.4606 6.6463 6.6889 6.7058 6.8531 7.0561 7.1135 7.2212 7.2777 7.3102 7.3488 7.8739 7.9461 8.2382 8.6773 9.5683 9.6753 10.4558 10.4863 10.6170 10.7122 11.7593 11.8155 11.9930 12.1960 12.7941 12.8140 13.5617 13.5886 13.6771 13.7047 14.3167 14.4611 14.5440 14.5729 k = 0.1293 0.2239-0.0000 ( 4557 PWs) bands (ev): -37.6201 -37.6200 -37.6087 -37.6087 -16.6149 -16.6146 -16.5815 -16.5806 -16.1311 -16.1303 -16.1013 -16.1013 -16.0844 -16.0842 -16.0388 -16.0377 1.5970 1.6020 2.7098 2.7136 5.5649 5.5794 5.6507 5.7214 5.8248 5.9381 6.1765 6.4609 6.6456 6.6769 6.6982 6.8445 7.0471 7.1018 7.2140 7.2705 7.2993 7.3355 7.8741 7.9545 8.2212 8.6495 9.6413 9.7482 10.5261 10.5572 10.7669 10.8624 11.8344 11.8957 12.0276 12.2233 12.8085 12.8233 13.5492 13.5754 13.6783 13.7018 14.3527 14.4866 14.5501 14.5744 k = 0.1224 0.2121-0.0000 ( 4557 PWs) bands (ev): -37.6201 -37.6200 -37.6087 -37.6087 -16.6148 -16.6145 -16.5812 -16.5803 -16.1311 -16.1302 -16.1008 -16.1007 -16.0839 -16.0837 -16.0387 -16.0376 1.5506 1.5552 2.6952 2.6990 5.5596 5.5710 5.6498 5.7107 5.8206 5.9304 6.1860 6.4616 6.6443 6.6656 6.6916 6.8358 7.0373 7.0878 7.2079 7.2621 7.2903 7.3228 7.8736 7.9575 8.2099 8.6223 9.7192 9.8260 10.5932 10.6239 10.9177 11.0133 11.9081 11.9772 12.0626 12.2475 12.8262 12.8349 13.5364 13.5617 13.6797 13.6977 14.3870 14.5114 14.5459 14.5629 k = 0.1156 0.2003-0.0000 ( 4557 PWs) bands (ev): -37.6201 -37.6201 -37.6088 -37.6087 -16.6147 -16.6144 -16.5808 -16.5800 -16.1310 -16.1302 -16.1002 -16.1002 -16.0835 -16.0833 -16.0386 -16.0375 1.5059 1.5102 2.6810 2.6846 5.5535 5.5621 5.6499 5.7016 5.8168 5.9226 6.1966 6.4626 6.6421 6.6551 6.6861 6.8273 7.0267 7.0715 7.2028 7.2527 7.2829 7.3109 7.8721 7.9548 8.2048 8.5964 9.8013 9.9078 10.6568 10.6862 11.0688 11.1646 11.9772 12.0600 12.1016 12.2692 12.8471 12.8491 13.5234 13.5475 13.6814 13.6927 14.4202 14.5329 14.5329 14.5535 k = 0.1088 0.1885-0.0000 ( 4557 PWs) bands (ev): -37.6202 -37.6201 -37.6088 -37.6087 -16.6146 -16.6143 -16.5805 -16.5797 -16.1310 -16.1302 -16.0997 -16.0997 -16.0830 -16.0829 -16.0384 -16.0374 1.4632 1.4671 2.6671 2.6706 5.5467 5.5527 5.6507 5.6941 5.8133 5.9148 6.2081 6.4640 6.6393 6.6456 6.6816 6.8190 7.0149 7.0530 7.1984 7.2428 7.2768 7.3000 7.8697 7.9470 8.2056 8.5722 9.8867 9.9926 10.7166 10.7438 11.2196 11.3158 12.0356 12.1436 12.1506 12.2892 12.8659 12.8711 13.5105 13.5332 13.6835 13.6871 14.4516 14.5132 14.5233 14.5732 k = 0.1020 0.1767-0.0000 ( 4555 PWs) bands (ev): -37.6202 -37.6202 -37.6088 -37.6088 -16.6144 -16.6141 -16.5802 -16.5794 -16.1309 -16.1302 -16.0992 -16.0991 -16.0826 -16.0825 -16.0383 -16.0374 1.4225 1.4261 2.6537 2.6571 5.5393 5.5433 5.6520 5.6879 5.8101 5.9069 6.2206 6.4656 6.6358 6.6374 6.6784 6.8108 7.0022 7.0324 7.1946 7.2329 7.2716 7.2901 7.8665 7.9355 8.2111 8.5500 9.9750 10.0798 10.7723 10.7965 11.3696 11.4667 12.0798 12.2137 12.2268 12.3090 12.8853 12.8982 13.4979 13.5188 13.6812 13.6862 14.4645 14.4984 14.5024 14.6033 k = 0.0952 0.1650-0.0000 ( 4559 PWs) bands (ev): -37.6203 -37.6202 -37.6089 -37.6088 -16.6143 -16.6140 -16.5799 -16.5792 -16.1309 -16.1302 -16.0987 -16.0987 -16.0822 -16.0821 -16.0382 -16.0373 1.3840 1.3873 2.6408 2.6441 5.5314 5.5339 5.6536 5.6830 5.8072 5.8991 6.2340 6.4673 6.6305 6.6319 6.6762 6.8030 6.9883 7.0100 7.1912 7.2235 7.2670 7.2812 7.8626 7.9218 8.2199 8.5299 10.0652 10.1685 10.8235 10.8442 11.5183 11.6168 12.1136 12.2870 12.3007 12.3380 12.9076 12.9284 13.4855 13.5046 13.6753 13.6897 14.4271 14.4631 14.5284 14.6289 k = 0.0884 0.1532-0.0000 ( 4559 PWs) bands (ev): -37.6203 -37.6203 -37.6089 -37.6088 -16.6142 -16.6139 -16.5796 -16.5789 -16.1308 -16.1302 -16.0982 -16.0982 -16.0818 -16.0817 -16.0381 -16.0372 1.3478 1.3507 2.6285 2.6317 5.5233 5.5247 5.6553 5.6790 5.8047 5.8914 6.2483 6.4691 6.6252 6.6278 6.6750 6.7953 6.9733 6.9859 7.1881 7.2146 7.2628 7.2735 7.8581 7.9072 8.2308 8.5117 10.1567 10.2581 10.8702 10.8870 11.6648 11.7659 12.1421 12.3329 12.3655 12.4087 12.9329 12.9615 13.4737 13.4905 13.6696 13.6944 14.3677 14.4134 14.5551 14.5978 k = 0.0816 0.1414-0.0000 ( 4559 PWs) bands (ev): -37.6203 -37.6203 -37.6089 -37.6089 -16.6141 -16.6138 -16.5793 -16.5787 -16.1308 -16.1302 -16.0978 -16.0977 -16.0814 -16.0814 -16.0380 -16.0372 1.3139 1.3165 2.6169 2.6199 5.5151 5.5158 5.6571 5.6759 5.8025 5.8837 6.2635 6.4708 6.6216 6.6234 6.6747 6.7880 6.9573 6.9605 7.1852 7.2065 7.2591 7.2668 7.8531 7.8926 8.2430 8.4955 10.2486 10.3476 10.9123 10.9248 11.8079 11.9134 12.1679 12.3520 12.4462 12.4930 12.9616 12.9975 13.4625 13.4769 13.6646 13.7006 14.2932 14.3464 14.5450 14.5467 k = 0.0748 0.1296-0.0000 ( 4563 PWs) bands (ev): -37.6204 -37.6203 -37.6089 -37.6089 -16.6140 -16.6138 -16.5791 -16.5784 -16.1308 -16.1302 -16.0973 -16.0973 -16.0811 -16.0810 -16.0379 -16.0371 1.2824 1.2848 2.6060 2.6088 5.5071 5.5073 5.6589 5.6735 5.8007 5.8763 6.2794 6.4724 6.6192 6.6198 6.6753 6.7809 6.9339 6.9402 7.1825 7.1991 7.2557 7.2610 7.8479 7.8787 8.2557 8.4811 10.3402 10.4363 10.9499 10.9581 11.9458 12.0587 12.1921 12.3712 12.5279 12.5787 12.9935 13.0359 13.4520 13.4638 13.6606 13.7089 14.2084 14.2656 14.4982 14.5077 k = 0.0680 0.1178-0.0000 ( 4571 PWs) bands (ev): -37.6204 -37.6204 -37.6090 -37.6089 -16.6139 -16.6137 -16.5788 -16.5783 -16.1308 -16.1302 -16.0969 -16.0969 -16.0808 -16.0807 -16.0378 -16.0371 1.2535 1.2556 2.5959 2.5985 5.4993 5.4994 5.6605 5.6715 5.7993 5.8690 6.2959 6.4737 6.6151 6.6199 6.6766 6.7741 6.9064 6.9223 7.1799 7.1926 7.2526 7.2561 7.8425 7.8658 8.2687 8.4682 10.4303 10.5231 10.9833 10.9872 12.0747 12.1996 12.2167 12.3948 12.6098 12.6643 13.0289 13.0762 13.4423 13.4513 13.6579 13.7197 14.1181 14.1769 14.4540 14.4653 k = 0.0612 0.1060-0.0000 ( 4577 PWs) bands (ev): -37.6204 -37.6204 -37.6090 -37.6089 -16.6138 -16.6136 -16.5786 -16.5781 -16.1307 -16.1302 -16.0966 -16.0966 -16.0805 -16.0805 -16.0377 -16.0370 1.2271 1.2289 2.5867 2.5891 5.4919 5.4921 5.6619 5.6700 5.7984 5.8620 6.3131 6.4747 6.6115 6.6220 6.6786 6.7675 6.8785 6.9037 7.1775 7.1868 7.2499 7.2520 7.8372 7.8543 8.2815 8.4566 10.5178 10.6066 11.0130 11.0130 12.1862 12.2359 12.3410 12.4307 12.6913 12.7491 13.0673 13.1172 13.4333 13.4396 13.6572 13.7335 14.0260 14.0853 14.4076 14.4219 k = 0.0544 0.0943-0.0000 ( 4577 PWs) bands (ev): -37.6204 -37.6204 -37.6090 -37.6090 -16.6137 -16.6136 -16.5784 -16.5779 -16.1307 -16.1302 -16.0962 -16.0962 -16.0802 -16.0802 -16.0376 -16.0370 1.2034 1.2050 2.5783 2.5804 5.4852 5.4854 5.6631 5.6689 5.7980 5.8552 6.3307 6.4752 6.6084 6.6259 6.6812 6.7611 6.8504 6.8844 7.1752 7.1817 7.2474 7.2486 7.8321 7.8441 8.2940 8.4461 10.6014 10.6854 11.0361 11.0396 12.2562 12.2661 12.4752 12.4923 12.7722 12.8324 13.1081 13.1577 13.4252 13.4289 13.6589 13.7504 13.9351 13.9940 14.3552 14.3775 k = 0.0476 0.0825-0.0000 ( 4577 PWs) bands (ev): -37.6205 -37.6204 -37.6090 -37.6090 -16.6137 -16.6135 -16.5782 -16.5778 -16.1307 -16.1302 -16.0960 -16.0959 -16.0800 -16.0800 -16.0375 -16.0370 1.1823 1.1837 2.5708 2.5727 5.4791 5.4793 5.6641 5.6680 5.7980 5.8487 6.3485 6.4753 6.6063 6.6316 6.6842 6.7549 6.8224 6.8648 7.1730 7.1774 7.2453 7.2459 7.8273 7.8353 8.3062 8.4364 10.6796 10.7576 11.0577 11.0638 12.2747 12.3105 12.5827 12.6031 12.8527 12.9138 13.1500 13.1958 13.4179 13.4193 13.6638 13.7688 13.8486 13.9056 14.2938 14.3322 k = 0.0408 0.0707-0.0000 ( 4591 PWs) bands (ev): -37.6205 -37.6205 -37.6090 -37.6090 -16.6136 -16.6135 -16.5780 -16.5777 -16.1307 -16.1303 -16.0957 -16.0957 -16.0798 -16.0798 -16.0375 -16.0370 1.1640 1.1651 2.5642 2.5659 5.4737 5.4739 5.6648 5.6673 5.7986 5.8424 6.3664 6.4748 6.6052 6.6390 6.6878 6.7488 6.7952 6.8450 7.1710 7.1738 7.2435 7.2436 7.8229 7.8279 8.3178 8.4274 10.7504 10.8209 11.0790 11.0865 12.2914 12.3332 12.6869 12.7225 12.9331 12.9924 13.1913 13.2299 13.4110 13.4111 13.6726 13.7565 13.7992 13.8223 14.2233 14.2858 k = 0.0340 0.0589-0.0000 ( 4595 PWs) bands (ev): -37.6205 -37.6205 -37.6090 -37.6090 -16.6136 -16.6135 -16.5779 -16.5775 -16.1306 -16.1303 -16.0955 -16.0955 -16.0797 -16.0797 -16.0374 -16.0370 1.1484 1.1494 2.5587 2.5601 5.4691 5.4692 5.6654 5.6668 5.7997 5.8365 6.3839 6.4738 6.6056 6.6475 6.6917 6.7430 6.7692 6.8251 7.1692 7.1708 7.2419 7.2420 7.8190 7.8219 8.3290 8.4189 10.8121 10.8731 11.1011 11.1084 12.3062 12.3455 12.7922 12.8303 13.0137 13.0675 13.2296 13.2582 13.4039 13.4048 13.6846 13.6853 13.7475 13.8136 14.1474 14.2358 k = 0.0272 0.0471-0.0000 ( 4611 PWs) bands (ev): -37.6205 -37.6205 -37.6090 -37.6090 -16.6136 -16.6135 -16.5777 -16.5775 -16.1306 -16.1304 -16.0953 -16.0953 -16.0796 -16.0796 -16.0373 -16.0370 1.1356 1.1364 2.5541 2.5553 5.4653 5.4654 5.6657 5.6665 5.8012 5.8310 6.4007 6.4719 6.6078 6.6564 6.6960 6.7372 6.7455 6.8055 7.1676 7.1684 7.2405 7.2408 7.8157 7.8171 8.3396 8.4106 10.8630 10.9125 11.1243 11.1298 12.3191 12.3523 12.8916 12.9237 13.0942 13.1377 13.2625 13.2801 13.3980 13.3986 13.6202 13.6675 13.7158 13.8240 14.0712 14.1773 k = 0.0204 0.0353-0.0000 ( 4615 PWs) bands (ev): -37.6205 -37.6205 -37.6090 -37.6090 -16.6136 -16.6135 -16.5776 -16.5774 -16.1306 -16.1304 -16.0951 -16.0951 -16.0795 -16.0795 -16.0373 -16.0370 1.1257 1.1263 2.5506 2.5514 5.4623 5.4623 5.6660 5.6663 5.8033 5.8258 6.4163 6.4691 6.6123 6.6635 6.7005 6.7266 6.7316 6.7862 7.1663 7.1667 7.2396 7.2398 7.8130 7.8136 8.3498 8.4025 10.9025 10.9391 11.1470 11.1500 12.3300 12.3556 12.9801 13.0009 13.1708 13.2011 13.2884 13.2956 13.3926 13.3926 13.5673 13.6122 13.7368 13.8230 14.0009 14.1115 k = 0.0136 0.0236-0.0000 ( 4623 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6090 -16.6136 -16.6135 -16.5775 -16.5774 -16.1306 -16.1305 -16.0950 -16.0950 -16.0794 -16.0794 -16.0372 -16.0371 1.1186 1.1190 2.5481 2.5487 5.4602 5.4602 5.6661 5.6662 5.8059 5.8209 6.4303 6.4651 6.6194 6.6638 6.7053 6.7179 6.7261 6.7677 7.1654 7.1655 7.2389 7.2391 7.8110 7.8111 8.3595 8.3943 10.9308 10.9546 11.1663 11.1674 12.3390 12.3563 13.0520 13.0608 13.2358 13.2533 13.3057 13.3063 13.3874 13.3876 13.5305 13.5652 13.7619 13.8111 13.9461 14.0455 k = 0.0068 0.0118-0.0000 ( 4617 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6090 -16.6135 -16.6135 -16.5775 -16.5774 -16.1305 -16.1305 -16.0950 -16.0950 -16.0793 -16.0793 -16.0372 -16.0371 1.1144 1.1146 2.5467 2.5469 5.4589 5.4589 5.6661 5.6661 5.8090 5.8165 6.4422 6.4594 6.6292 6.6545 6.7102 6.7206 6.7225 6.7503 7.1648 7.1648 7.2386 7.2387 7.8097 7.8097 8.3687 8.3860 10.9492 10.9609 11.1791 11.1793 12.3461 12.3548 13.1000 13.1014 13.2786 13.2870 13.3115 13.3158 13.3857 13.3857 13.5121 13.5310 13.7792 13.7959 13.9229 13.9862 k = 0.0000 0.0000 0.0000 ( 4625 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6091 -16.6135 -16.6135 -16.5775 -16.5775 -16.1305 -16.1305 -16.0950 -16.0950 -16.0793 -16.0793 -16.0371 -16.0371 1.1130 1.1130 2.5463 2.5463 5.4584 5.4584 5.6661 5.6661 5.8126 5.8126 6.4519 6.4519 6.6415 6.6415 6.7154 6.7154 6.7347 6.7347 7.1646 7.1646 7.2385 7.2385 7.8093 7.8093 8.3775 8.3775 10.9589 10.9589 11.1835 11.1835 12.3513 12.3513 13.1166 13.1166 13.2954 13.2954 13.3156 13.3156 13.3866 13.3866 13.5126 13.5126 13.7860 13.7860 13.9408 13.9408 k = 0.0000 0.0000 0.0000 ( 4625 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6091 -16.6135 -16.6135 -16.5775 -16.5775 -16.1305 -16.1305 -16.0950 -16.0950 -16.0793 -16.0793 -16.0371 -16.0371 1.1130 1.1130 2.5463 2.5463 5.4584 5.4584 5.6661 5.6661 5.8126 5.8126 6.4519 6.4519 6.6415 6.6415 6.7154 6.7154 6.7347 6.7347 7.1646 7.1646 7.2385 7.2385 7.8093 7.8093 8.3775 8.3775 10.9589 10.9589 11.1835 11.1835 12.3513 12.3513 13.1166 13.1166 13.2954 13.2954 13.3156 13.3156 13.3866 13.3866 13.5126 13.5126 13.7860 13.7860 13.9408 13.9408 k = 0.0000 0.0000 0.0137 ( 4625 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6091 -16.6134 -16.6134 -16.5775 -16.5775 -16.1304 -16.1304 -16.0950 -16.0950 -16.0793 -16.0793 -16.0373 -16.0373 1.1144 1.1144 2.5441 2.5441 5.4587 5.4587 5.6659 5.6659 5.8127 5.8127 6.4489 6.4489 6.6218 6.6218 6.7150 6.7150 6.7568 6.7568 7.1652 7.1652 7.2384 7.2384 7.8083 7.8083 8.3829 8.3829 10.9611 10.9611 11.1857 11.1857 12.3512 12.3512 13.1170 13.1170 13.2958 13.2958 13.3107 13.3107 13.3833 13.3833 13.5120 13.5120 13.7602 13.7602 13.9496 13.9496 k = 0.0000 0.0000 0.0274 ( 4601 PWs) bands (ev): -37.6205 -37.6205 -37.6091 -37.6091 -16.6132 -16.6132 -16.5776 -16.5776 -16.1301 -16.1301 -16.0949 -16.0949 -16.0793 -16.0793 -16.0376 -16.0376 1.1184 1.1184 2.5378 2.5378 5.4594 5.4594 5.6650 5.6650 5.8130 5.8130 6.4389 6.4389 6.5878 6.5878 6.7138 6.7138 6.7991 6.7991 7.1671 7.1671 7.2381 7.2381 7.8054 7.8054 8.3989 8.3989 10.9679 10.9679 11.1926 11.1926 12.3510 12.3510 13.1182 13.1182 13.2959 13.2959 13.2973 13.2973 13.3737 13.3737 13.5104 13.5104 13.6980 13.6980 13.9637 13.9637 k = 0.0000 0.0000 0.0410 ( 4589 PWs) bands (ev): -37.6204 -37.6204 -37.6092 -37.6092 -16.6129 -16.6129 -16.5777 -16.5777 -16.1296 -16.1296 -16.0948 -16.0948 -16.0794 -16.0794 -16.0382 -16.0382 1.1250 1.1250 2.5272 2.5272 5.4604 5.4604 5.6637 5.6637 5.8136 5.8136 6.4192 6.4192 6.5585 6.5585 6.7119 6.7119 6.8449 6.8449 7.1702 7.1702 7.2375 7.2375 7.8005 7.8005 8.4258 8.4258 10.9790 10.9790 11.2040 11.2040 12.3503 12.3503 13.1197 13.1197 13.2714 13.2714 13.2996 13.2996 13.3581 13.3581 13.5076 13.5076 13.6176 13.6176 13.9719 13.9719 k = 0.0000 0.0000 0.0547 ( 4601 PWs) bands (ev): -37.6203 -37.6203 -37.6093 -37.6093 -16.6126 -16.6126 -16.5779 -16.5779 -16.1290 -16.1290 -16.0946 -16.0946 -16.0796 -16.0796 -16.0390 -16.0390 1.1343 1.1343 2.5126 2.5126 5.4620 5.4620 5.6618 5.6618 5.8143 5.8143 6.3888 6.3888 6.5392 6.5392 6.7091 6.7091 6.8900 6.8900 7.1746 7.1746 7.2367 7.2367 7.7938 7.7938 8.4634 8.4634 10.9945 10.9945 11.2197 11.2197 12.3484 12.3484 13.1212 13.1212 13.2374 13.2374 13.3028 13.3028 13.3376 13.3376 13.5037 13.5037 13.5285 13.5285 13.9725 13.9725 k = 0.0000 0.0000 0.0684 ( 4601 PWs) bands (ev): -37.6202 -37.6202 -37.6094 -37.6094 -16.6121 -16.6121 -16.5782 -16.5782 -16.1281 -16.1281 -16.0945 -16.0945 -16.0798 -16.0798 -16.0401 -16.0401 1.1463 1.1463 2.4940 2.4940 5.4639 5.4639 5.6594 5.6594 5.8153 5.8153 6.3509 6.3509 6.5285 6.5285 6.7057 6.7057 6.9326 6.9326 7.1801 7.1801 7.2358 7.2358 7.7852 7.7852 8.5117 8.5117 11.0144 11.0144 11.2398 11.2398 12.3444 12.3444 13.1214 13.1214 13.1940 13.1940 13.3069 13.3069 13.3137 13.3137 13.4366 13.4366 13.4986 13.4986 13.9668 13.9668 k = 0.0000 0.0000 0.0821 ( 4613 PWs) bands (ev): -37.6201 -37.6201 -37.6095 -37.6095 -16.6116 -16.6116 -16.5785 -16.5785 -16.1271 -16.1271 -16.0943 -16.0943 -16.0800 -16.0800 -16.0415 -16.0415 1.1608 1.1608 2.4715 2.4715 5.4663 5.4663 5.6564 5.6564 5.8164 5.8164 6.3094 6.3094 6.5230 6.5230 6.7016 6.7016 6.9718 6.9718 7.1869 7.1869 7.2346 7.2346 7.7749 7.7749 8.5706 8.5706 11.0385 11.0385 11.2641 11.2641 12.3368 12.3368 13.1184 13.1184 13.1420 13.1420 13.2890 13.2890 13.3118 13.3118 13.3460 13.3460 13.4923 13.4923 13.9562 13.9562 k = 0.0000 0.0000 0.0958 ( 4607 PWs) bands (ev): -37.6199 -37.6199 -37.6097 -37.6097 -16.6109 -16.6109 -16.5789 -16.5789 -16.1259 -16.1259 -16.0941 -16.0941 -16.0802 -16.0802 -16.0430 -16.0430 1.1778 1.1778 2.4455 2.4455 5.4690 5.4690 5.6530 5.6530 5.8178 5.8178 6.2674 6.2674 6.5206 6.5206 6.6968 6.6968 7.0072 7.0072 7.1948 7.1948 7.2332 7.2332 7.7630 7.7630 8.6398 8.6398 11.0667 11.0667 11.2926 11.2926 12.3238 12.3238 13.0828 13.0828 13.1086 13.1086 13.2595 13.2595 13.2676 13.2676 13.3175 13.3175 13.4848 13.4848 13.9418 13.9418 k = 0.0000 0.0000 0.1094 ( 4589 PWs) bands (ev): -37.6197 -37.6197 -37.6099 -37.6099 -16.6100 -16.6100 -16.5794 -16.5794 -16.1244 -16.1244 -16.0938 -16.0938 -16.0804 -16.0804 -16.0447 -16.0447 1.1975 1.1975 2.4160 2.4160 5.4722 5.4722 5.6492 5.6492 5.8194 5.8194 6.2263 6.2263 6.5200 6.5200 6.6914 6.6914 7.0385 7.0385 7.2039 7.2039 7.2318 7.2318 7.7496 7.7496 8.7188 8.7188 11.0991 11.0991 11.3250 11.3250 12.3023 12.3023 13.0200 13.0200 13.0878 13.0878 13.1782 13.1782 13.2542 13.2542 13.3238 13.3238 13.4761 13.4761 13.9245 13.9245 k = 0.0000 0.0000 0.1231 ( 4583 PWs) bands (ev): -37.6195 -37.6195 -37.6101 -37.6101 -16.6092 -16.6092 -16.5799 -16.5799 -16.1229 -16.1229 -16.0935 -16.0935 -16.0807 -16.0807 -16.0467 -16.0467 1.2195 1.2195 2.3833 2.3833 5.4758 5.4758 5.6449 5.6449 5.8212 5.8212 6.1870 6.1870 6.5205 6.5205 6.6855 6.6855 7.0658 7.0658 7.2142 7.2142 7.2301 7.2301 7.7348 7.7348 8.8072 8.8072 11.1353 11.1353 11.3613 11.3613 12.2688 12.2688 12.9587 12.9587 13.0546 13.0546 13.1018 13.1018 13.2507 13.2507 13.3304 13.3304 13.4665 13.4665 13.9051 13.9051 k = 0.0000 0.0000 0.1368 ( 4571 PWs) bands (ev): -37.6193 -37.6193 -37.6103 -37.6103 -16.6082 -16.6082 -16.5805 -16.5805 -16.1211 -16.1211 -16.0932 -16.0932 -16.0810 -16.0810 -16.0488 -16.0488 1.2440 1.2440 2.3477 2.3477 5.4797 5.4797 5.6402 5.6402 5.8233 5.8233 6.1500 6.1500 6.5218 6.5218 6.6790 6.6790 7.0893 7.0893 7.2255 7.2255 7.2284 7.2284 7.7188 7.7188 8.9041 8.9041 11.1755 11.1755 11.4012 11.4012 12.2200 12.2200 12.9037 12.9037 13.0112 13.0112 13.0299 13.0299 13.2554 13.2554 13.3369 13.3369 13.4561 13.4561 13.8838 13.8838 k = 0.0000 0.0000 0.1505 ( 4565 PWs) bands (ev): -37.6190 -37.6190 -37.6106 -37.6106 -16.6072 -16.6072 -16.5811 -16.5811 -16.1192 -16.1192 -16.0928 -16.0928 -16.0813 -16.0813 -16.0510 -16.0510 1.2709 1.2709 2.3094 2.3094 5.4840 5.4840 5.6351 5.6351 5.8256 5.8256 6.1155 6.1155 6.5237 6.5237 6.6722 6.6722 7.1093 7.1093 7.2265 7.2265 7.2378 7.2378 7.7015 7.7015 9.0090 9.0090 11.2193 11.2193 11.4445 11.4445 12.1540 12.1540 12.8558 12.8558 12.9605 12.9605 12.9643 12.9643 13.2658 13.2658 13.3425 13.3425 13.4459 13.4459 13.8613 13.8613 k = 0.0000 0.0000 0.1642 ( 4571 PWs) bands (ev): -37.6187 -37.6187 -37.6109 -37.6109 -16.6062 -16.6062 -16.5818 -16.5818 -16.1172 -16.1172 -16.0925 -16.0925 -16.0817 -16.0817 -16.0535 -16.0535 1.3001 1.3001 2.2687 2.2687 5.4887 5.4887 5.6297 5.6297 5.8281 5.8281 6.0836 6.0836 6.5262 6.5262 6.6649 6.6649 7.1261 7.1261 7.2245 7.2245 7.2512 7.2512 7.6833 7.6833 9.1211 9.1211 11.2667 11.2667 11.4911 11.4911 12.0708 12.0708 12.8079 12.8079 12.9045 12.9045 12.9127 12.9127 13.2803 13.2803 13.3456 13.3456 13.4371 13.4371 13.8378 13.8378 k = 0.0000 0.0000 0.1779 ( 4571 PWs) bands (ev): -37.6184 -37.6184 -37.6112 -37.6112 -16.6051 -16.6051 -16.5826 -16.5826 -16.1150 -16.1150 -16.0921 -16.0921 -16.0821 -16.0821 -16.0561 -16.0561 1.3315 1.3315 2.2259 2.2259 5.4936 5.4936 5.6239 5.6239 5.8309 5.8309 6.0544 6.0544 6.5292 6.5292 6.6574 6.6574 7.1402 7.1402 7.2225 7.2225 7.2655 7.2655 7.6642 7.6642 9.2395 9.2395 11.3176 11.3176 11.5409 11.5409 11.9726 11.9726 12.7494 12.7494 12.8448 12.8448 12.8842 12.8842 13.2979 13.2979 13.3438 13.3438 13.4322 13.4322 13.8136 13.8136 k = 0.0000 0.0000 0.1915 ( 4560 PWs) bands (ev): -37.6181 -37.6181 -37.6115 -37.6115 -16.6039 -16.6039 -16.5834 -16.5834 -16.1126 -16.1126 -16.0916 -16.0916 -16.0825 -16.0825 -16.0589 -16.0589 1.3651 1.3651 2.1814 2.1814 5.4989 5.4989 5.6179 5.6179 5.8339 5.8339 6.0278 6.0278 6.5326 6.5326 6.6497 6.6497 7.1519 7.1519 7.2204 7.2204 7.2808 7.2808 7.6443 7.6443 9.3636 9.3636 11.3717 11.3717 11.5935 11.5935 11.8623 11.8623 12.6804 12.6804 12.7821 12.7821 12.8761 12.8761 13.3181 13.3181 13.3353 13.3353 13.4331 13.4331 13.7890 13.7890 k = 0.0000 0.0000 0.2052 ( 4560 PWs) bands (ev): -37.6178 -37.6178 -37.6118 -37.6118 -16.6027 -16.6027 -16.5842 -16.5842 -16.1102 -16.1102 -16.0912 -16.0912 -16.0829 -16.0829 -16.0617 -16.0617 1.4007 1.4007 2.1353 2.1353 5.5045 5.5045 5.6116 5.6116 5.8373 5.8373 6.0037 6.0037 6.5363 6.5363 6.6417 6.6417 7.1617 7.1617 7.2183 7.2183 7.2970 7.2970 7.6238 7.6238 9.4926 9.4926 11.4289 11.4289 11.6488 11.6488 11.7427 11.7427 12.6059 12.6059 12.7170 12.7170 12.8812 12.8812 13.3201 13.3201 13.3405 13.3405 13.4395 13.4395 13.7641 13.7641 k = 0.0000 0.0000 0.2189 ( 4548 PWs) bands (ev): -37.6174 -37.6174 -37.6122 -37.6122 -16.6015 -16.6015 -16.5851 -16.5851 -16.1076 -16.1076 -16.0907 -16.0907 -16.0834 -16.0834 -16.0646 -16.0646 1.4383 1.4383 2.0880 2.0880 5.5103 5.5103 5.6051 5.6051 5.8411 5.8411 5.9820 5.9820 6.5405 6.5405 6.6338 6.6338 7.1697 7.1697 7.2162 7.2162 7.3140 7.3140 7.6028 7.6028 9.6259 9.6259 11.4891 11.4891 11.6159 11.6159 11.7066 11.7066 12.5286 12.5286 12.6502 12.6502 12.8949 12.8949 13.2998 13.2998 13.3649 13.3649 13.4500 13.4500 13.7392 13.7392 k = 0.0000 0.0000 0.2326 ( 4548 PWs) bands (ev): -37.6171 -37.6171 -37.6125 -37.6125 -16.6003 -16.6003 -16.5861 -16.5861 -16.1048 -16.1048 -16.0902 -16.0902 -16.0839 -16.0839 -16.0677 -16.0677 1.4777 1.4777 2.0398 2.0398 5.5164 5.5164 5.5984 5.5984 5.8453 5.8453 5.9625 5.9625 6.5451 6.5451 6.6257 6.6257 7.1764 7.1764 7.2140 7.2140 7.3317 7.3317 7.5814 7.5814 9.7628 9.7628 11.4837 11.4837 11.5521 11.5521 11.7666 11.7666 12.4499 12.4499 12.5820 12.5820 12.9146 12.9146 13.2758 13.2758 13.3913 13.3913 13.4633 13.4633 13.7144 13.7144 k = 0.0000 0.0000 0.2463 ( 4542 PWs) bands (ev): -37.6167 -37.6167 -37.6129 -37.6129 -16.5990 -16.5990 -16.5871 -16.5871 -16.1020 -16.1020 -16.0897 -16.0897 -16.0844 -16.0844 -16.0708 -16.0708 1.5189 1.5189 1.9909 1.9909 5.5227 5.5227 5.5916 5.5916 5.8500 5.8500 5.9451 5.9451 6.5500 6.5500 6.6177 6.6177 7.1820 7.1820 7.2118 7.2118 7.3502 7.3502 7.5598 7.5598 9.9027 9.9027 11.3470 11.3470 11.6176 11.6176 11.8288 11.8288 12.3706 12.3706 12.5128 12.5128 12.9387 12.9387 13.2491 13.2491 13.4195 13.4195 13.4786 13.4786 13.6898 13.6898 k = 0.0000 0.0000 0.2599 ( 4548 PWs) bands (ev): -37.6163 -37.6163 -37.6132 -37.6132 -16.5977 -16.5977 -16.5882 -16.5882 -16.0991 -16.0991 -16.0892 -16.0892 -16.0849 -16.0849 -16.0739 -16.0739 1.5616 1.5616 1.9416 1.9416 5.5291 5.5291 5.5847 5.5847 5.8552 5.8552 5.9296 5.9296 6.5554 6.5554 6.6098 6.6098 7.1867 7.1867 7.2096 7.2096 7.3693 7.3693 7.5380 7.5380 10.0451 10.0451 11.2071 11.2071 11.6856 11.6856 11.8927 11.8927 12.2910 12.2910 12.4430 12.4430 12.9659 12.9659 13.2201 13.2201 13.4494 13.4494 13.4954 13.4954 13.6655 13.6655 k = 0.0000 0.0000 0.2736 ( 4560 PWs) bands (ev): -37.6160 -37.6160 -37.6136 -37.6136 -16.5965 -16.5965 -16.5893 -16.5893 -16.0962 -16.0962 -16.0887 -16.0887 -16.0854 -16.0854 -16.0772 -16.0772 1.6058 1.6058 1.8922 1.8922 5.5358 5.5358 5.5777 5.5777 5.8610 5.8610 5.9159 5.9159 6.5610 6.5610 6.6021 6.6021 7.1907 7.1907 7.2073 7.2073 7.3891 7.3891 7.5161 7.5161 10.1893 10.1893 11.0646 11.0646 11.7559 11.7559 11.9583 11.9583 12.2116 12.2116 12.3727 12.3727 12.9955 12.9955 13.1895 13.1895 13.4810 13.4810 13.5135 13.5135 13.6417 13.6417 k = 0.0000 0.0000 0.2873 ( 4548 PWs) bands (ev): -37.6156 -37.6156 -37.6140 -37.6140 -16.5952 -16.5952 -16.5904 -16.5904 -16.0931 -16.0931 -16.0881 -16.0881 -16.0860 -16.0860 -16.0803 -16.0803 1.6513 1.6513 1.8429 1.8429 5.5426 5.5426 5.5706 5.5706 5.8676 5.8676 5.9037 5.9037 6.5671 6.5671 6.5945 6.5945 7.1942 7.1942 7.2050 7.2050 7.4094 7.4094 7.4943 7.4943 10.3349 10.3349 10.9201 10.9201 11.8281 11.8281 12.0253 12.0253 12.1327 12.1327 12.3023 12.3023 13.0268 13.0268 13.1577 13.1577 13.5142 13.5142 13.5327 13.5327 13.6185 13.6185 k = 0.0000 0.0000 0.3010 ( 4548 PWs) bands (ev): -37.6152 -37.6152 -37.6144 -37.6144 -16.5940 -16.5940 -16.5915 -16.5915 -16.0900 -16.0900 -16.0876 -16.0876 -16.0865 -16.0865 -16.0835 -16.0835 1.6980 1.6980 1.7940 1.7940 5.5495 5.5495 5.5635 5.5635 5.8750 5.8750 5.8930 5.8930 6.5735 6.5735 6.5872 6.5872 7.1973 7.1973 7.2026 7.2026 7.4301 7.4301 7.4727 7.4727 10.4813 10.4813 10.7744 10.7744 11.9021 11.9021 12.0547 12.0547 12.0934 12.0934 12.2322 12.2322 13.0591 13.0591 13.1250 13.1250 13.5491 13.5491 13.5529 13.5529 13.5959 13.5959 k = 0.0000 0.0000 0.3147 ( 4542 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5927 -16.5927 -16.5927 -16.5927 -16.0870 -16.0870 -16.0870 -16.0870 -16.0868 -16.0868 -16.0868 -16.0868 1.7456 1.7456 1.7456 1.7456 5.5565 5.5565 5.5565 5.5565 5.8835 5.8835 5.8835 5.8835 6.5802 6.5802 6.5802 6.5802 7.2001 7.2001 7.2001 7.2001 7.4512 7.4512 7.4512 7.4512 10.6280 10.6280 10.6280 10.6280 11.9777 11.9777 11.9777 11.9777 12.1624 12.1624 12.1624 12.1624 13.0920 13.0920 13.0920 13.0920 13.5740 13.5740 13.5740 13.5740 13.5855 13.5855 k = 0.0000 0.0000 0.3147 ( 4542 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5927 -16.5927 -16.5927 -16.5927 -16.0870 -16.0870 -16.0870 -16.0870 -16.0868 -16.0868 -16.0868 -16.0868 1.7456 1.7456 1.7456 1.7456 5.5565 5.5565 5.5565 5.5565 5.8835 5.8835 5.8835 5.8835 6.5802 6.5802 6.5802 6.5802 7.2001 7.2001 7.2001 7.2001 7.4512 7.4512 7.4512 7.4512 10.6280 10.6280 10.6280 10.6280 11.9777 11.9777 11.9777 11.9777 12.1624 12.1624 12.1624 12.1624 13.0920 13.0920 13.0920 13.0920 13.5740 13.5740 13.5740 13.5740 13.5855 13.5855 k = 0.0116 0.0067 0.3147 ( 4542 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5928 -16.5928 -16.5927 -16.5927 -16.0871 -16.0871 -16.0871 -16.0871 -16.0868 -16.0868 -16.0867 -16.0867 1.7467 1.7467 1.7467 1.7467 5.5565 5.5565 5.5565 5.5565 5.8785 5.8785 5.8885 5.8885 6.5788 6.5788 6.5821 6.5821 7.1955 7.1955 7.2045 7.2045 7.4518 7.4518 7.4518 7.4518 10.6141 10.6141 10.6397 10.6397 11.9497 11.9497 11.9919 11.9919 12.1570 12.1570 12.1577 12.1577 13.0941 13.0941 13.1037 13.1037 13.5706 13.5706 13.5732 13.5732 13.5885 13.5886 k = 0.0233 0.0134 0.3147 ( 4546 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5928 -16.5928 -16.5927 -16.5927 -16.0872 -16.0872 -16.0871 -16.0871 -16.0868 -16.0868 -16.0867 -16.0867 1.7501 1.7501 1.7501 1.7501 5.5566 5.5566 5.5566 5.5566 5.8736 5.8736 5.8935 5.8935 6.5779 6.5779 6.5845 6.5845 7.1909 7.1909 7.2089 7.2089 7.4534 7.4534 7.4535 7.4535 10.5979 10.5979 10.6493 10.6493 11.9069 11.9069 11.9933 11.9933 12.1406 12.1406 12.1454 12.1454 13.1095 13.1095 13.1272 13.1272 13.5660 13.5660 13.5710 13.5710 13.5950 13.5954 k = 0.0349 0.0201 0.3147 ( 4568 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5929 -16.5929 -16.5928 -16.5928 -16.0874 -16.0874 -16.0873 -16.0873 -16.0868 -16.0868 -16.0866 -16.0866 1.7557 1.7557 1.7558 1.7558 5.5567 5.5567 5.5568 5.5568 5.8688 5.8688 5.8986 5.8986 6.5775 6.5775 6.5872 6.5872 7.1864 7.1864 7.2131 7.2131 7.4560 7.4560 7.4564 7.4564 10.5791 10.5791 10.6567 10.6567 11.8500 11.8500 11.9826 11.9826 12.1145 12.1145 12.1280 12.1280 13.1357 13.1357 13.1593 13.1593 13.5620 13.5620 13.5699 13.5699 13.6035 13.6041 k = 0.0465 0.0269 0.3147 ( 4556 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5930 -16.5930 -16.5928 -16.5928 -16.0876 -16.0876 -16.0875 -16.0875 -16.0867 -16.0867 -16.0865 -16.0865 1.7635 1.7635 1.7636 1.7636 5.5569 5.5569 5.5571 5.5571 5.8642 5.8642 5.9037 5.9037 6.5776 6.5776 6.5904 6.5904 7.1820 7.1820 7.2171 7.2171 7.4596 7.4596 7.4606 7.4606 10.5574 10.5574 10.6617 10.6617 11.7809 11.7809 11.9597 11.9597 12.0827 12.0827 12.1071 12.1071 13.1690 13.1690 13.1961 13.1961 13.5599 13.5599 13.5707 13.5707 13.6136 13.6138 k = 0.0581 0.0336 0.3147 ( 4568 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5931 -16.5931 -16.5929 -16.5929 -16.0878 -16.0878 -16.0877 -16.0877 -16.0867 -16.0867 -16.0865 -16.0865 1.7735 1.7735 1.7737 1.7737 5.5570 5.5570 5.5574 5.5574 5.8597 5.8597 5.9089 5.9089 6.5783 6.5783 6.5940 6.5940 7.1777 7.1777 7.2209 7.2209 7.4640 7.4640 7.4658 7.4658 10.5324 10.5324 10.6638 10.6638 11.7023 11.7023 11.9244 11.9244 12.0487 12.0487 12.0833 12.0833 13.2048 13.2048 13.2336 13.2336 13.5610 13.5610 13.5742 13.5742 13.6256 13.6256 k = 0.0698 0.0403 0.3147 ( 4564 PWs) bands (ev): -37.6148 -37.6148 -37.6147 -37.6147 -16.5932 -16.5932 -16.5930 -16.5930 -16.0881 -16.0881 -16.0879 -16.0879 -16.0867 -16.0867 -16.0865 -16.0865 1.7857 1.7857 1.7859 1.7859 5.5571 5.5571 5.5577 5.5577 5.8555 5.8555 5.9142 5.9142 6.5796 6.5796 6.5979 6.5979 7.1738 7.1738 7.2246 7.2246 7.4693 7.4693 7.4723 7.4723 10.5035 10.5035 10.6625 10.6625 11.6174 11.6174 11.8783 11.8783 12.0148 12.0148 12.0567 12.0567 13.2388 13.2388 13.2673 13.2673 13.5671 13.5671 13.5813 13.5813 13.6398 13.6398 k = 0.0814 0.0470 0.3147 ( 4556 PWs) bands (ev): -37.6147 -37.6147 -37.6147 -37.6147 -16.5933 -16.5933 -16.5930 -16.5930 -16.0883 -16.0883 -16.0881 -16.0881 -16.0867 -16.0867 -16.0864 -16.0864 1.8001 1.8001 1.8003 1.8003 5.5571 5.5571 5.5580 5.5580 5.8517 5.8517 5.9196 5.9196 6.5815 6.5815 6.6021 6.6021 7.1701 7.1701 7.2281 7.2281 7.4753 7.4753 7.4798 7.4798 10.4703 10.4703 10.6566 10.6566 11.5290 11.5290 11.8247 11.8247 11.9806 11.9806 12.0275 12.0275 13.2673 13.2673 13.2936 13.2936 13.5798 13.5798 13.5920 13.5920 13.6568 13.6568 k = 0.0930 0.0537 0.3147 ( 4560 PWs) bands (ev): -37.6147 -37.6147 -37.6147 -37.6147 -16.5935 -16.5935 -16.5931 -16.5931 -16.0887 -16.0887 -16.0884 -16.0884 -16.0867 -16.0867 -16.0864 -16.0864 1.8165 1.8165 1.8167 1.8167 5.5570 5.5570 5.5583 5.5583 5.8483 5.8483 5.9252 5.9252 6.5840 6.5840 6.6066 6.6066 7.1668 7.1668 7.2316 7.2316 7.4819 7.4819 7.4883 7.4883 10.4322 10.4322 10.6448 10.6448 11.4403 11.4403 11.7670 11.7670 11.9451 11.9451 11.9956 11.9956 13.2881 13.2881 13.3102 13.3102 13.5989 13.5989 13.6059 13.6059 13.6778 13.6778 k = 0.1047 0.0604 0.3147 ( 4550 PWs) bands (ev): -37.6147 -37.6147 -37.6147 -37.6147 -16.5936 -16.5936 -16.5932 -16.5932 -16.0890 -16.0890 -16.0887 -16.0887 -16.0867 -16.0867 -16.0864 -16.0864 1.8351 1.8351 1.8353 1.8353 5.5567 5.5567 5.5585 5.5585 5.8454 5.8454 5.9310 5.9310 6.5871 6.5871 6.6113 6.6113 7.1639 7.1639 7.2350 7.2350 7.4891 7.4891 7.4978 7.4978 10.3887 10.3887 10.6248 10.6248 11.3544 11.3544 11.7082 11.7082 11.9078 11.9078 11.9612 11.9612 13.3005 13.3005 13.3169 13.3169 13.6216 13.6216 13.6219 13.6219 13.7046 13.7059 k = 0.1163 0.0671 0.3147 ( 4552 PWs) bands (ev): -37.6147 -37.6147 -37.6146 -37.6146 -16.5938 -16.5938 -16.5934 -16.5934 -16.0894 -16.0894 -16.0891 -16.0891 -16.0867 -16.0867 -16.0864 -16.0864 1.8556 1.8556 1.8558 1.8558 5.5562 5.5562 5.5585 5.5585 5.8430 5.8430 5.9371 5.9371 6.5908 6.5908 6.6162 6.6162 7.1614 7.1614 7.2384 7.2384 7.4969 7.4969 7.5081 7.5081 10.3392 10.3392 10.5944 10.5944 11.2750 11.2750 11.6501 11.6501 11.8683 11.8683 11.9245 11.9245 13.3057 13.3057 13.3158 13.3158 13.6379 13.6379 13.6452 13.6452 13.7383 13.7383 k = 0.1279 0.0738 0.3147 ( 4554 PWs) bands (ev): -37.6147 -37.6147 -37.6146 -37.6146 -16.5940 -16.5940 -16.5935 -16.5935 -16.0898 -16.0898 -16.0894 -16.0894 -16.0867 -16.0867 -16.0864 -16.0864 1.8781 1.8781 1.8782 1.8782 5.5555 5.5555 5.5584 5.5584 5.8412 5.8412 5.9434 5.9434 6.5951 6.5951 6.6213 6.6213 7.1594 7.1594 7.2418 7.2418 7.5051 7.5051 7.5192 7.5192 10.2835 10.2835 10.5507 10.5507 11.2054 11.2054 11.5942 11.5942 11.8266 11.8266 11.8855 11.8855 13.3050 13.3050 13.3089 13.3089 13.6542 13.6542 13.6668 13.6668 13.7783 13.7783 k = 0.1395 0.0806 0.3147 ( 4558 PWs) bands (ev): -37.6146 -37.6146 -37.6146 -37.6146 -16.5941 -16.5941 -16.5937 -16.5937 -16.0903 -16.0903 -16.0899 -16.0899 -16.0867 -16.0867 -16.0863 -16.0863 1.9025 1.9025 1.9025 1.9025 5.5546 5.5546 5.5582 5.5582 5.8402 5.8402 5.9501 5.9501 6.5999 6.5999 6.6266 6.6266 7.1579 7.1579 7.2454 7.2454 7.5138 7.5138 7.5310 7.5310 10.2214 10.2214 10.4921 10.4921 11.1478 11.1478 11.5415 11.5415 11.7830 11.7830 11.8447 11.8447 13.2982 13.2982 13.3002 13.3002 13.6705 13.6705 13.6866 13.6866 13.8224 13.8224 k = 0.1512 0.0873 0.3147 ( 4558 PWs) bands (ev): -37.6146 -37.6146 -37.6146 -37.6146 -16.5943 -16.5943 -16.5938 -16.5938 -16.0907 -16.0907 -16.0903 -16.0903 -16.0867 -16.0867 -16.0863 -16.0863 1.9286 1.9286 1.9286 1.9286 5.5534 5.5534 5.5578 5.5578 5.8399 5.8399 5.9572 5.9572 6.6053 6.6053 6.6320 6.6320 7.1569 7.1569 7.2492 7.2492 7.5228 7.5228 7.5434 7.5434 10.1530 10.1530 10.4185 10.4185 11.1029 11.1029 11.4923 11.4923 11.7377 11.7377 11.8022 11.8022 13.2850 13.2850 13.2925 13.2925 13.6867 13.6867 13.7052 13.7052 13.8685 13.8685 k = 0.1628 0.0940 0.3147 ( 4562 PWs) bands (ev): -37.6146 -37.6146 -37.6145 -37.6145 -16.5946 -16.5946 -16.5940 -16.5940 -16.0912 -16.0912 -16.0907 -16.0907 -16.0867 -16.0867 -16.0863 -16.0863 1.9564 1.9564 1.9565 1.9565 5.5521 5.5521 5.5572 5.5572 5.8405 5.8405 5.9647 5.9647 6.6113 6.6113 6.6374 6.6374 7.1565 7.1565 7.2531 7.2531 7.5321 7.5321 7.5563 7.5563 10.0785 10.0785 10.3315 10.3315 11.0693 11.0693 11.4467 11.4467 11.6910 11.6910 11.7582 11.7582 13.2704 13.2704 13.2830 13.2830 13.7030 13.7030 13.7232 13.7232 13.9149 13.9149 k = 0.1744 0.1007 0.3147 ( 4562 PWs) bands (ev): -37.6145 -37.6145 -37.6145 -37.6145 -16.5948 -16.5948 -16.5942 -16.5942 -16.0917 -16.0917 -16.0912 -16.0912 -16.0867 -16.0867 -16.0863 -16.0863 1.9858 1.9858 1.9860 1.9860 5.5505 5.5505 5.5564 5.5564 5.8418 5.8418 5.9726 5.9726 6.6177 6.6177 6.6429 6.6429 7.1567 7.1567 7.2572 7.2572 7.5417 7.5417 7.5697 7.5697 9.9983 9.9983 10.2338 10.2338 11.0448 11.0448 11.4046 11.4046 11.6435 11.6435 11.7132 11.7132 13.2550 13.2550 13.2724 13.2724 13.7192 13.7192 13.7407 13.7407 13.9606 13.9606 k = 0.1860 0.1074 0.3147 ( 4568 PWs) bands (ev): -37.6145 -37.6145 -37.6145 -37.6145 -16.5950 -16.5950 -16.5944 -16.5944 -16.0923 -16.0923 -16.0917 -16.0917 -16.0867 -16.0867 -16.0863 -16.0863 2.0168 2.0168 2.0171 2.0171 5.5488 5.5488 5.5556 5.5556 5.8440 5.8440 5.9809 5.9809 6.6245 6.6245 6.6484 6.6484 7.1573 7.1573 7.2616 7.2616 7.5515 7.5515 7.5833 7.5833 9.9130 9.9130 10.1282 10.1282 11.0267 11.0267 11.3653 11.3653 11.5957 11.5957 11.6675 11.6675 13.2393 13.2393 13.2612 13.2612 13.7355 13.7355 13.7579 13.7579 14.0048 14.0048 k = 0.1977 0.1141 0.3147 ( 4558 PWs) bands (ev): -37.6145 -37.6145 -37.6144 -37.6144 -16.5952 -16.5952 -16.5946 -16.5946 -16.0928 -16.0928 -16.0922 -16.0922 -16.0867 -16.0867 -16.0863 -16.0863 2.0491 2.0491 2.0496 2.0496 5.5469 5.5469 5.5546 5.5546 5.8471 5.8471 5.9898 5.9898 6.6317 6.6317 6.6539 6.6539 7.1586 7.1586 7.2662 7.2662 7.5615 7.5615 7.5973 7.5973 9.8232 9.8232 10.0170 10.0170 11.0129 11.0129 11.3283 11.3283 11.5482 11.5482 11.6213 11.6213 13.2240 13.2240 13.2501 13.2501 13.7519 13.7519 13.7750 13.7750 14.0468 14.0468 k = 0.2093 0.1208 0.3147 ( 4566 PWs) bands (ev): -37.6144 -37.6144 -37.6144 -37.6144 -16.5955 -16.5955 -16.5949 -16.5949 -16.0933 -16.0933 -16.0928 -16.0928 -16.0867 -16.0867 -16.0863 -16.0863 2.0827 2.0827 2.0833 2.0833 5.5449 5.5449 5.5536 5.5536 5.8511 5.8511 5.9991 5.9991 6.6392 6.6392 6.6592 6.6592 7.1604 7.1604 7.2711 7.2711 7.5716 7.5716 7.6115 7.6115 9.7297 9.7297 9.9021 9.9021 11.0016 11.0016 11.2925 11.2925 11.5019 11.5019 11.5752 11.5752 13.2094 13.2094 13.2393 13.2393 13.7683 13.7683 13.7919 13.7919 14.0863 14.0863 k = 0.2209 0.1276 0.3147 ( 4582 PWs) bands (ev): -37.6144 -37.6144 -37.6143 -37.6143 -16.5957 -16.5957 -16.5951 -16.5951 -16.0939 -16.0939 -16.0934 -16.0934 -16.0867 -16.0867 -16.0863 -16.0863 2.1174 2.1174 2.1182 2.1182 5.5429 5.5429 5.5527 5.5527 5.8558 5.8558 6.0088 6.0088 6.6468 6.6468 6.6645 6.6645 7.1628 7.1628 7.2762 7.2762 7.5818 7.5818 7.6257 7.6257 9.6331 9.6331 9.7849 9.7849 10.9915 10.9915 11.2568 11.2568 11.4576 11.4576 11.5294 11.5294 13.1957 13.1957 13.2293 13.2293 13.7846 13.7846 13.8086 13.8086 14.1228 14.1228 k = 0.2326 0.1343 0.3147 ( 4574 PWs) bands (ev): -37.6144 -37.6144 -37.6143 -37.6143 -16.5959 -16.5959 -16.5953 -16.5953 -16.0944 -16.0944 -16.0939 -16.0939 -16.0867 -16.0867 -16.0863 -16.0863 2.1532 2.1532 2.1542 2.1542 5.5410 5.5410 5.5519 5.5519 5.8614 5.8614 6.0191 6.0191 6.6544 6.6544 6.6695 6.6695 7.1657 7.1657 7.2815 7.2815 7.5921 7.5921 7.6400 7.6400 9.5342 9.5342 9.6665 9.6665 10.9815 10.9815 11.2201 11.2201 11.4165 11.4165 11.4846 11.4846 13.1833 13.1833 13.2202 13.2202 13.8009 13.8009 13.8251 13.8251 14.1561 14.1561 k = 0.2442 0.1410 0.3147 ( 4566 PWs) bands (ev): -37.6143 -37.6143 -37.6143 -37.6143 -16.5962 -16.5962 -16.5955 -16.5955 -16.0950 -16.0950 -16.0944 -16.0944 -16.0867 -16.0867 -16.0863 -16.0863 2.1898 2.1898 2.1909 2.1909 5.5392 5.5392 5.5513 5.5513 5.8679 5.8679 6.0299 6.0299 6.6619 6.6619 6.6744 6.6744 7.1693 7.1693 7.2870 7.2870 7.6024 7.6024 7.6543 7.6543 9.4337 9.4337 9.5480 9.5480 10.9707 10.9707 11.1814 11.1814 11.3793 11.3793 11.4413 11.4413 13.1726 13.1726 13.2124 13.2124 13.8173 13.8173 13.8415 13.8415 14.1859 14.1859 k = 0.2558 0.1477 0.3147 ( 4566 PWs) bands (ev): -37.6143 -37.6143 -37.6142 -37.6142 -16.5964 -16.5964 -16.5958 -16.5958 -16.0955 -16.0955 -16.0950 -16.0950 -16.0867 -16.0867 -16.0863 -16.0863 2.2270 2.2270 2.2284 2.2284 5.5375 5.5375 5.5509 5.5509 5.8751 5.8751 6.0411 6.0411 6.6691 6.6691 6.6789 6.6789 7.1734 7.1734 7.2926 7.2926 7.6127 7.6127 7.6685 7.6685 9.3322 9.3322 9.4299 9.4299 10.9582 10.9582 11.1401 11.1401 11.3465 11.3465 11.3999 11.3999 13.1636 13.1636 13.2061 13.2061 13.8335 13.8335 13.8577 13.8577 14.2121 14.2121 k = 0.2674 0.1544 0.3147 ( 4570 PWs) bands (ev): -37.6143 -37.6143 -37.6142 -37.6142 -16.5966 -16.5966 -16.5960 -16.5960 -16.0961 -16.0961 -16.0955 -16.0955 -16.0867 -16.0867 -16.0863 -16.0863 2.2648 2.2648 2.2664 2.2664 5.5361 5.5361 5.5508 5.5508 5.8832 5.8832 6.0529 6.0529 6.6758 6.6758 6.6830 6.6830 7.1780 7.1780 7.2983 7.2983 7.6230 7.6230 7.6825 7.6825 9.2303 9.2303 9.3129 9.3129 10.9435 10.9435 11.0962 11.0962 11.3181 11.3181 11.3612 11.3612 13.1567 13.1567 13.2015 13.2015 13.8496 13.8496 13.8736 13.8736 14.2346 14.2346 k = 0.2791 0.1611 0.3147 ( 4570 PWs) bands (ev): -37.6142 -37.6142 -37.6142 -37.6142 -16.5969 -16.5969 -16.5963 -16.5963 -16.0966 -16.0966 -16.0961 -16.0961 -16.0867 -16.0867 -16.0863 -16.0863 2.3029 2.3029 2.3048 2.3048 5.5349 5.5349 5.5512 5.5512 5.8921 5.8921 6.0652 6.0652 6.6818 6.6818 6.6866 6.6866 7.1831 7.1831 7.3040 7.3040 7.6332 7.6332 7.6963 7.6963 9.1287 9.1287 9.1977 9.1977 10.9260 10.9260 11.0504 11.0504 11.2935 11.2935 11.3256 11.3256 13.1520 13.1520 13.1986 13.1986 13.8655 13.8655 13.8893 13.8893 14.2535 14.2535 k = 0.2907 0.1678 0.3147 ( 4570 PWs) bands (ev): -37.6142 -37.6142 -37.6141 -37.6141 -16.5971 -16.5971 -16.5965 -16.5965 -16.0972 -16.0972 -16.0966 -16.0966 -16.0867 -16.0867 -16.0863 -16.0863 2.3412 2.3412 2.3432 2.3432 5.5342 5.5342 5.5519 5.5519 5.9018 5.9018 6.0781 6.0781 6.6870 6.6870 6.6896 6.6896 7.1888 7.1888 7.3097 7.3097 7.6433 7.6433 7.7097 7.7097 9.0280 9.0280 9.0847 9.0847 10.9054 10.9054 11.0032 11.0032 11.2721 11.2721 11.2936 11.2936 13.1496 13.1496 13.1977 13.1977 13.8813 13.8813 13.9047 13.9047 14.2688 14.2688 k = 0.3023 0.1745 0.3147 ( 4570 PWs) bands (ev): -37.6141 -37.6141 -37.6141 -37.6141 -16.5973 -16.5973 -16.5967 -16.5967 -16.0977 -16.0977 -16.0971 -16.0971 -16.0867 -16.0867 -16.0863 -16.0863 2.3793 2.3793 2.3816 2.3816 5.5338 5.5338 5.5531 5.5531 5.9125 5.9125 6.0915 6.0915 6.6909 6.6909 6.6920 6.6920 7.1950 7.1950 7.3153 7.3153 7.6533 7.6533 7.7228 7.7228 8.9286 8.9286 8.9745 8.9745 10.8815 10.8815 10.9555 10.9555 11.2532 11.2532 11.2653 11.2653 13.1496 13.1496 13.1988 13.1988 13.8969 13.8969 13.9198 13.9198 14.2808 14.2808 k = 0.3140 0.1813 0.3147 ( 4562 PWs) bands (ev): -37.6141 -37.6141 -37.6140 -37.6140 -16.5975 -16.5975 -16.5969 -16.5969 -16.0982 -16.0982 -16.0976 -16.0976 -16.0867 -16.0867 -16.0863 -16.0863 2.4172 2.4172 2.4196 2.4196 5.5339 5.5339 5.5547 5.5547 5.9241 5.9241 6.1055 6.1055 6.6934 6.6934 6.6936 6.6936 7.2016 7.2016 7.3207 7.3207 7.6632 7.6632 7.7353 7.7353 8.8313 8.8313 8.8677 8.8677 10.8545 10.8545 10.9079 10.9079 11.2364 11.2364 11.2409 11.2409 13.1521 13.1521 13.2019 13.2019 13.9122 13.9122 13.9344 13.9344 14.2896 14.2898 k = 0.3256 0.1880 0.3147 ( 4570 PWs) bands (ev): -37.6141 -37.6141 -37.6140 -37.6140 -16.5977 -16.5977 -16.5972 -16.5972 -16.0987 -16.0987 -16.0982 -16.0982 -16.0867 -16.0867 -16.0863 -16.0863 2.4545 2.4545 2.4571 2.4571 5.5346 5.5346 5.5568 5.5568 5.9367 5.9367 6.1201 6.1201 6.6942 6.6942 6.6942 6.6942 7.2086 7.2086 7.3257 7.3257 7.6730 7.6730 7.7473 7.7473 8.7364 8.7364 8.7647 8.7647 10.8249 10.8249 10.8609 10.8609 11.2199 11.2199 11.2213 11.2213 13.1569 13.1569 13.2069 13.2069 13.9271 13.9271 13.9486 13.9486 14.2956 14.2957 k = 0.3372 0.1947 0.3147 ( 4568 PWs) bands (ev): -37.6140 -37.6140 -37.6140 -37.6140 -16.5979 -16.5979 -16.5974 -16.5974 -16.0992 -16.0992 -16.0987 -16.0987 -16.0867 -16.0867 -16.0863 -16.0863 2.4911 2.4911 2.4938 2.4938 5.5357 5.5357 5.5593 5.5593 5.9505 5.9505 6.1354 6.1354 6.6931 6.6931 6.6938 6.6938 7.2159 7.2159 7.3304 7.3304 7.6826 7.6826 7.7587 7.7587 8.6446 8.6446 8.6662 8.6662 10.7934 10.7934 10.8152 10.8152 11.2021 11.2021 11.2075 11.2075 13.1642 13.1642 13.2140 13.2140 13.9417 13.9417 13.9623 13.9623 14.2989 14.2991 k = 0.3488 0.2014 0.3147 ( 4564 PWs) bands (ev): -37.6140 -37.6140 -37.6140 -37.6140 -16.5981 -16.5981 -16.5976 -16.5976 -16.0996 -16.0996 -16.0991 -16.0991 -16.0866 -16.0866 -16.0863 -16.0863 2.5266 2.5266 2.5294 2.5294 5.5374 5.5374 5.5621 5.5621 5.9656 5.9656 6.1513 6.1513 6.6897 6.6897 6.6922 6.6922 7.2234 7.2234 7.3345 7.3345 7.6920 7.6920 7.7694 7.7694 8.5563 8.5563 8.5725 8.5725 10.7605 10.7605 10.7710 10.7710 11.1869 11.1869 11.1949 11.1949 13.1738 13.1738 13.2228 13.2228 13.9559 13.9559 13.9755 13.9755 14.2998 14.2998 k = 0.3605 0.2081 0.3147 ( 4560 PWs) bands (ev): -37.6140 -37.6140 -37.6139 -37.6139 -16.5983 -16.5983 -16.5978 -16.5978 -16.1000 -16.1000 -16.0996 -16.0996 -16.0866 -16.0866 -16.0863 -16.0863 2.5609 2.5609 2.5638 2.5638 5.5396 5.5396 5.5652 5.5652 5.9820 5.9820 6.1679 6.1679 6.6839 6.6839 6.6891 6.6891 7.2311 7.2311 7.3381 7.3381 7.7013 7.7013 7.7792 7.7792 8.4723 8.4723 8.4844 8.4844 10.7272 10.7272 10.7288 10.7288 11.1740 11.1740 11.1833 11.1833 13.1856 13.1856 13.2334 13.2334 13.9695 13.9695 13.9880 13.9880 14.2985 14.2996 k = 0.3721 0.2148 0.3147 ( 4566 PWs) bands (ev): -37.6139 -37.6139 -37.6139 -37.6139 -16.5984 -16.5984 -16.5980 -16.5980 -16.1004 -16.1004 -16.1000 -16.1000 -16.0866 -16.0866 -16.0863 -16.0863 2.5936 2.5936 2.5965 2.5965 5.5423 5.5423 5.5684 5.5684 5.9999 5.9999 6.1852 6.1852 6.6754 6.6754 6.6846 6.6846 7.2389 7.2389 7.3409 7.3409 7.7103 7.7103 7.7881 7.7881 8.3930 8.3930 8.4022 8.4022 10.6889 10.6889 10.6939 10.6939 11.1629 11.1629 11.1727 11.1727 13.1992 13.1992 13.2454 13.2454 13.9826 13.9826 13.9998 13.9998 14.2953 14.2953 k = 0.3837 0.2215 0.3147 ( 4562 PWs) bands (ev): -37.6139 -37.6139 -37.6139 -37.6139 -16.5986 -16.5986 -16.5982 -16.5982 -16.1008 -16.1008 -16.1004 -16.1004 -16.0866 -16.0866 -16.0863 -16.0863 2.6246 2.6246 2.6275 2.6275 5.5454 5.5454 5.5716 5.5716 6.0194 6.0194 6.2030 6.2030 6.6642 6.6642 6.6784 6.6784 7.2466 7.2466 7.3429 7.3429 7.7191 7.7191 7.7961 7.7961 8.3189 8.3189 8.3264 8.3264 10.6516 10.6516 10.6615 10.6615 11.1533 11.1533 11.1629 11.1629 13.2144 13.2144 13.2585 13.2585 13.9950 13.9950 14.0107 14.0107 14.2891 14.2892 k = 0.3953 0.2283 0.3147 ( 4564 PWs) bands (ev): -37.6139 -37.6139 -37.6138 -37.6138 -16.5987 -16.5987 -16.5983 -16.5983 -16.1011 -16.1011 -16.1008 -16.1008 -16.0866 -16.0866 -16.0864 -16.0864 2.6536 2.6536 2.6564 2.6564 5.5489 5.5489 5.5748 5.5748 6.0406 6.0406 6.2214 6.2214 6.6502 6.6502 6.6704 6.6704 7.2542 7.2542 7.3440 7.3440 7.7276 7.7276 7.8029 7.8029 8.2508 8.2508 8.2576 8.2576 10.6172 10.6172 10.6303 10.6303 11.1450 11.1450 11.1541 11.1541 13.2310 13.2310 13.2726 13.2726 14.0066 14.0066 14.0208 14.0208 14.2816 14.2816 k = 0.4070 0.2350 0.3147 ( 4564 PWs) bands (ev): -37.6139 -37.6139 -37.6138 -37.6138 -16.5989 -16.5989 -16.5985 -16.5985 -16.1014 -16.1014 -16.1011 -16.1011 -16.0866 -16.0866 -16.0864 -16.0864 2.6803 2.6803 2.6830 2.6830 5.5528 5.5528 5.5778 5.5778 6.0636 6.0636 6.2399 6.2399 6.6336 6.6336 6.6605 6.6605 7.2616 7.2616 7.3440 7.3440 7.7359 7.7359 7.8085 7.8085 8.1890 8.1890 8.1960 8.1960 10.5860 10.5860 10.6009 10.6009 11.1378 11.1378 11.1461 11.1461 13.2484 13.2484 13.2870 13.2870 14.0174 14.0174 14.0299 14.0299 14.2731 14.2731 k = 0.4186 0.2417 0.3147 ( 4560 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5989 -16.5989 -16.5986 -16.5986 -16.1017 -16.1017 -16.1014 -16.1014 -16.0866 -16.0866 -16.0864 -16.0864 2.7046 2.7046 2.7071 2.7071 5.5568 5.5568 5.5804 5.5804 6.0883 6.0883 6.2584 6.2584 6.6148 6.6148 6.6487 6.6487 7.2687 7.2687 7.3431 7.3431 7.7439 7.7439 7.8126 7.8126 8.1341 8.1341 8.1419 8.1419 10.5582 10.5582 10.5738 10.5738 11.1316 11.1316 11.1389 11.1389 13.2663 13.2663 13.3015 13.3015 14.0271 14.0271 14.0380 14.0380 14.2638 14.2639 k = 0.4302 0.2484 0.3147 ( 4556 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5990 -16.5990 -16.5988 -16.5988 -16.1019 -16.1019 -16.1016 -16.1016 -16.0865 -16.0865 -16.0864 -16.0864 2.7261 2.7261 2.7283 2.7283 5.5610 5.5610 5.5825 5.5825 6.1146 6.1146 6.2761 6.2761 6.5945 6.5945 6.6351 6.6351 7.2757 7.2757 7.3411 7.3411 7.7516 7.7516 7.8153 7.8153 8.0865 8.0865 8.0954 8.0954 10.5339 10.5339 10.5492 10.5492 11.1264 11.1264 11.1327 11.1327 13.2841 13.2841 13.3153 13.3153 14.0358 14.0358 14.0449 14.0449 14.2542 14.2543 k = 0.4419 0.2551 0.3147 ( 4558 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5991 -16.5991 -16.5989 -16.5989 -16.1021 -16.1021 -16.1019 -16.1019 -16.0865 -16.0865 -16.0864 -16.0864 2.7447 2.7447 2.7467 2.7467 5.5652 5.5652 5.5841 5.5841 6.1424 6.1424 6.2921 6.2921 6.5739 6.5739 6.6199 6.6199 7.2823 7.2823 7.3382 7.3382 7.7590 7.7590 7.8161 7.8161 8.0467 8.0467 8.0564 8.0564 10.5134 10.5134 10.5274 10.5274 11.1221 11.1221 11.1272 11.1272 13.3012 13.3012 13.3281 13.3281 14.0434 14.0434 14.0507 14.0507 14.2448 14.2451 k = 0.4535 0.2618 0.3147 ( 4570 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5992 -16.5992 -16.5990 -16.5990 -16.1023 -16.1023 -16.1021 -16.1021 -16.0865 -16.0865 -16.0864 -16.0864 2.7602 2.7602 2.7619 2.7619 5.5692 5.5692 5.5851 5.5851 6.1713 6.1713 6.3048 6.3048 6.5548 6.5548 6.6033 6.6033 7.2888 7.2888 7.3344 7.3344 7.7662 7.7662 7.8151 7.8151 8.0150 8.0150 8.0248 8.0248 10.4968 10.4968 10.5089 10.5089 11.1186 11.1186 11.1227 11.1227 13.3169 13.3169 13.3391 13.3391 14.0496 14.0496 14.0553 14.0553 14.2362 14.2362 k = 0.4651 0.2685 0.3147 ( 4572 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5992 -16.5992 -16.5991 -16.5991 -16.1024 -16.1024 -16.1023 -16.1023 -16.0865 -16.0865 -16.0864 -16.0864 2.7725 2.7725 2.7738 2.7738 5.5730 5.5730 5.5853 5.5853 6.2008 6.2008 6.3118 6.3118 6.5398 6.5398 6.5860 6.5860 7.2951 7.2951 7.3298 7.3298 7.7733 7.7733 7.8121 7.8121 7.9913 7.9913 8.0002 8.0002 10.4842 10.4842 10.4938 10.4938 11.1160 11.1160 11.1190 11.1190 13.3307 13.3307 13.3477 13.3477 14.0546 14.0546 14.0587 14.0587 14.2289 14.2291 k = 0.4767 0.2752 0.3147 ( 4572 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5992 -16.5992 -16.5992 -16.5992 -16.1025 -16.1025 -16.1024 -16.1024 -16.0865 -16.0865 -16.0865 -16.0865 2.7815 2.7815 2.7823 2.7823 5.5765 5.5765 5.5849 5.5849 6.2300 6.2300 6.3108 6.3108 6.5317 6.5317 6.5687 6.5687 7.3013 7.3013 7.3247 7.3247 7.7803 7.7803 7.8074 7.8074 7.9756 7.9756 7.9824 7.9824 10.4757 10.4757 10.4823 10.4823 11.1143 11.1143 11.1163 11.1163 13.3419 13.3419 13.3535 13.3535 14.0583 14.0583 14.0609 14.0609 14.2236 14.2240 k = 0.4884 0.2820 0.3147 ( 4572 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5993 -16.5993 -16.5992 -16.5992 -16.1025 -16.1025 -16.1025 -16.1025 -16.0865 -16.0865 -16.0865 -16.0865 2.7870 2.7870 2.7874 2.7874 5.5795 5.5795 5.5838 5.5838 6.2576 6.2576 6.3005 6.3005 6.5319 6.5319 6.5527 6.5527 7.3074 7.3074 7.3191 7.3191 7.7874 7.7874 7.8013 7.8013 7.9673 7.9673 7.9710 7.9710 10.4713 10.4713 10.4747 10.4747 11.1135 11.1135 11.1145 11.1145 13.3501 13.3501 13.3559 13.3559 14.0607 14.0607 14.0620 14.0620 14.2204 14.2216 k = 0.5000 0.2887 0.3147 ( 4580 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5993 -16.5993 -16.5993 -16.5993 -16.1025 -16.1025 -16.1025 -16.1025 -16.0865 -16.0865 -16.0865 -16.0865 2.7890 2.7890 2.7890 2.7890 5.5819 5.5819 5.5819 5.5819 6.2820 6.2820 6.2820 6.2820 6.5396 6.5396 6.5396 6.5396 7.3133 7.3133 7.3133 7.3133 7.7945 7.7945 7.7945 7.7945 7.9659 7.9659 7.9659 7.9659 10.4710 10.4710 10.4710 10.4710 11.1135 11.1135 11.1135 11.1135 13.3548 13.3548 13.3548 13.3548 14.0619 14.0619 14.0619 14.0619 14.2198 14.2198 k = 0.5000 0.2887 0.3147 ( 4580 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5993 -16.5993 -16.5993 -16.5993 -16.1025 -16.1025 -16.1025 -16.1025 -16.0865 -16.0865 -16.0865 -16.0865 2.7890 2.7890 2.7890 2.7890 5.5819 5.5819 5.5819 5.5819 6.2820 6.2820 6.2820 6.2820 6.5396 6.5396 6.5396 6.5396 7.3133 7.3133 7.3133 7.3133 7.7945 7.7945 7.7945 7.7945 7.9659 7.9659 7.9659 7.9659 10.4710 10.4710 10.4710 10.4710 11.1135 11.1135 11.1135 11.1135 13.3548 13.3548 13.3548 13.3548 14.0619 14.0619 14.0619 14.0619 14.2198 14.2198 k = 0.4933 0.3002 0.3147 ( 4574 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5993 -16.5993 -16.5992 -16.5992 -16.1026 -16.1026 -16.1024 -16.1024 -16.0865 -16.0865 -16.0865 -16.0865 2.7892 2.7892 2.7897 2.7897 5.5787 5.5787 5.5867 5.5867 6.2635 6.2635 6.3002 6.3002 6.5353 6.5353 6.5436 6.5436 7.2983 7.2983 7.3291 7.3291 7.7746 7.7746 7.8135 7.8135 7.9640 7.9640 7.9685 7.9685 10.4498 10.4498 10.4823 10.4823 11.1070 11.1070 11.1221 11.1221 13.3526 13.3526 13.3552 13.3552 14.0577 14.0577 14.0662 14.0662 14.2173 14.2176 k = 0.4867 0.3118 0.3147 ( 4574 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5994 -16.5994 -16.5991 -16.5991 -16.1027 -16.1027 -16.1023 -16.1023 -16.0866 -16.0866 -16.0864 -16.0864 2.7903 2.7903 2.7913 2.7913 5.5771 5.5771 5.5930 5.5930 6.2449 6.2449 6.3180 6.3180 6.5311 6.5311 6.5471 6.5471 7.2839 7.2839 7.3455 7.3455 7.7543 7.7543 7.8308 7.8308 7.9631 7.9631 7.9715 7.9715 10.4195 10.4195 10.4833 10.4833 11.1030 11.1030 11.1321 11.1321 13.3487 13.3487 13.3539 13.3539 14.0539 14.0539 14.0703 14.0703 14.2133 14.2134 k = 0.4800 0.3233 0.3147 ( 4570 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.5995 -16.5995 -16.5990 -16.5990 -16.1028 -16.1028 -16.1022 -16.1022 -16.0867 -16.0867 -16.0864 -16.0864 2.7924 2.7924 2.7939 2.7939 5.5771 5.5771 5.6008 5.6008 6.2266 6.2266 6.3349 6.3349 6.5272 6.5272 6.5499 6.5499 7.2703 7.2703 7.3625 7.3625 7.7340 7.7340 7.8451 7.8451 7.9635 7.9635 7.9757 7.9757 10.3810 10.3810 10.4739 10.4739 11.1016 11.1016 11.1429 11.1429 13.3434 13.3434 13.3510 13.3510 14.0508 14.0508 14.0743 14.0743 14.2081 14.2082 k = 0.4733 0.3349 0.3147 ( 4570 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.5996 -16.5996 -16.5989 -16.5989 -16.1029 -16.1029 -16.1021 -16.1021 -16.0868 -16.0868 -16.0864 -16.0864 2.7954 2.7954 2.7973 2.7973 5.5787 5.5787 5.6101 5.6101 6.2085 6.2085 6.3505 6.3505 6.5241 6.5241 6.5520 6.5520 7.2575 7.2575 7.3798 7.3798 7.7140 7.7140 7.8550 7.8550 7.9649 7.9649 7.9828 7.9828 10.3352 10.3352 10.4546 10.4546 11.1028 11.1028 11.1540 11.1540 13.3369 13.3369 13.3466 13.3466 14.0490 14.0490 14.0783 14.0783 14.2017 14.2017 k = 0.4667 0.3464 0.3147 ( 4568 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.5997 -16.5997 -16.5989 -16.5989 -16.1029 -16.1029 -16.1020 -16.1020 -16.0869 -16.0869 -16.0865 -16.0865 2.7992 2.7992 2.8017 2.8017 5.5820 5.5820 5.6208 5.6208 6.1909 6.1909 6.3643 6.3643 6.5222 6.5222 6.5533 6.5533 7.2454 7.2454 7.3975 7.3975 7.6943 7.6943 7.8596 7.8596 7.9660 7.9660 7.9949 7.9949 10.2832 10.2832 10.4262 10.4262 11.1062 11.1062 11.1650 11.1650 13.3295 13.3295 13.3411 13.3411 14.0485 14.0485 14.0826 14.0826 14.1941 14.1941 k = 0.4600 0.3580 0.3147 ( 4572 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.5998 -16.5998 -16.5988 -16.5988 -16.1030 -16.1030 -16.1019 -16.1019 -16.0870 -16.0870 -16.0865 -16.0865 2.8038 2.8038 2.8068 2.8068 5.5869 5.5869 5.6328 5.6328 6.1737 6.1737 6.3755 6.3755 6.5218 6.5218 6.5540 6.5540 7.2340 7.2340 7.4151 7.4151 7.6753 7.6753 7.8593 7.8593 7.9661 7.9661 8.0123 8.0123 10.2259 10.2259 10.3897 10.3897 11.1113 11.1113 11.1756 11.1756 13.3216 13.3216 13.3348 13.3348 14.0494 14.0494 14.0873 14.0873 14.1856 14.1856 k = 0.4533 0.3695 0.3147 ( 4572 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.5999 -16.5999 -16.5988 -16.5988 -16.1031 -16.1031 -16.1018 -16.1018 -16.0872 -16.0872 -16.0866 -16.0866 2.8092 2.8092 2.8127 2.8127 5.5935 5.5935 5.6462 5.6462 6.1570 6.1570 6.3839 6.3839 6.5227 6.5227 6.5545 6.5545 7.2233 7.2233 7.4322 7.4322 7.6574 7.6574 7.8552 7.8552 7.9654 7.9654 8.0341 8.0341 10.1643 10.1643 10.3461 10.3461 11.1175 11.1175 11.1857 11.1857 13.3135 13.3135 13.3281 13.3281 14.0512 14.0512 14.0924 14.0924 14.1767 14.1767 k = 0.4467 0.3811 0.3147 ( 4572 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.6001 -16.6001 -16.5987 -16.5987 -16.1032 -16.1032 -16.1017 -16.1017 -16.0873 -16.0873 -16.0866 -16.0866 2.8153 2.8153 2.8192 2.8192 5.6017 5.6017 5.6608 5.6608 6.1409 6.1409 6.3891 6.3891 6.5239 6.5239 6.5561 6.5561 7.2133 7.2133 7.4482 7.4482 7.6411 7.6411 7.8485 7.8485 7.9638 7.9638 8.0591 8.0591 10.0994 10.0994 10.2967 10.2967 11.1244 11.1244 11.1951 11.1951 13.3056 13.3056 13.3213 13.3213 14.0532 14.0532 14.0972 14.0972 14.1680 14.1680 k = 0.4400 0.3926 0.3147 ( 4570 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.6002 -16.6002 -16.5987 -16.5987 -16.1033 -16.1033 -16.1016 -16.1016 -16.0875 -16.0875 -16.0867 -16.0867 2.8220 2.8220 2.8264 2.8264 5.6115 5.6115 5.6766 5.6766 6.1254 6.1254 6.3914 6.3914 6.5234 6.5234 6.5603 6.5603 7.2039 7.2039 7.4620 7.4620 7.6272 7.6272 7.8401 7.8401 7.9614 7.9614 8.0866 8.0866 10.0320 10.0320 10.2426 10.2426 11.1316 11.1316 11.2039 11.2039 13.2982 13.2982 13.3148 13.3148 14.0545 14.0545 14.1006 14.1006 14.1610 14.1610 k = 0.4333 0.4041 0.3147 ( 4572 PWs) bands (ev): -37.6137 -37.6137 -37.6137 -37.6137 -16.6003 -16.6003 -16.5986 -16.5986 -16.1034 -16.1034 -16.1015 -16.1015 -16.0876 -16.0876 -16.0867 -16.0867 2.8292 2.8292 2.8342 2.8342 5.6229 5.6229 5.6934 5.6934 6.1105 6.1105 6.3914 6.3914 6.5201 6.5201 6.5676 6.5676 7.1950 7.1950 7.4722 7.4722 7.6171 7.6171 7.8308 7.8308 7.9585 7.9585 8.1158 8.1158 9.9631 9.9631 10.1846 10.1846 11.1387 11.1387 11.2119 11.2119 13.2914 13.2914 13.3088 13.3088 14.0536 14.0536 14.1004 14.1004 14.1583 14.1583 k = 0.4267 0.4157 0.3147 ( 4576 PWs) bands (ev): -37.6137 -37.6137 -37.6137 -37.6137 -16.6004 -16.6004 -16.5986 -16.5986 -16.1035 -16.1035 -16.1014 -16.1014 -16.0878 -16.0878 -16.0868 -16.0868 2.8369 2.8369 2.8424 2.8424 5.6359 5.6359 5.7113 5.7113 6.0963 6.0963 6.3896 6.3896 6.5142 6.5142 6.5772 6.5772 7.1865 7.1865 7.4773 7.4773 7.6119 7.6119 7.8212 7.8212 7.9550 7.9550 8.1466 8.1466 9.8934 9.8934 10.1239 10.1239 11.1455 11.1455 11.2193 11.2193 13.2854 13.2854 13.3036 13.3036 14.0495 14.0495 14.0951 14.0951 14.1616 14.1616 k = 0.4200 0.4272 0.3147 ( 4580 PWs) bands (ev): -37.6137 -37.6137 -37.6137 -37.6137 -16.6005 -16.6005 -16.5986 -16.5986 -16.1035 -16.1035 -16.1013 -16.1013 -16.0880 -16.0880 -16.0869 -16.0869 2.8450 2.8450 2.8509 2.8509 5.6504 5.6504 5.7299 5.7299 6.0827 6.0827 6.3866 6.3866 6.5063 6.5063 6.5880 6.5880 7.1783 7.1783 7.4765 7.4765 7.6121 7.6121 7.8120 7.8120 7.9510 7.9510 8.1786 8.1786 9.8239 9.8239 10.0613 10.0613 11.1518 11.1518 11.2260 11.2260 13.2805 13.2805 13.2993 13.2993 14.0417 14.0417 14.0856 14.0856 14.1703 14.1703 k = 0.4133 0.4388 0.3147 ( 4572 PWs) bands (ev): -37.6137 -37.6137 -37.6137 -37.6137 -16.6006 -16.6006 -16.5986 -16.5986 -16.1036 -16.1036 -16.1012 -16.1012 -16.0882 -16.0882 -16.0870 -16.0870 2.8533 2.8533 2.8597 2.8597 5.6663 5.6663 5.7494 5.7494 6.0697 6.0697 6.3825 6.3825 6.4971 6.4971 6.5990 6.5990 7.1701 7.1701 7.4707 7.4707 7.6162 7.6162 7.8040 7.8040 7.9468 7.9468 8.2115 8.2115 9.7554 9.7554 9.9977 9.9977 11.1575 11.1575 11.2321 11.2321 13.2767 13.2767 13.2960 13.2960 14.0305 14.0305 14.0734 14.0734 14.1829 14.1829 k = 0.4067 0.4503 0.3147 ( 4568 PWs) bands (ev): -37.6137 -37.6137 -37.6137 -37.6137 -16.6007 -16.6007 -16.5986 -16.5986 -16.1037 -16.1037 -16.1011 -16.1011 -16.0883 -16.0883 -16.0871 -16.0871 2.8618 2.8618 2.8686 2.8686 5.6835 5.6835 5.7694 5.7694 6.0573 6.0573 6.3776 6.3776 6.4871 6.4871 6.6094 6.6094 7.1620 7.1620 7.4618 7.4618 7.6218 7.6218 7.7981 7.7981 7.9423 7.9423 8.2452 8.2452 9.6887 9.6887 9.9338 9.9338 11.1626 11.1626 11.2376 11.2376 13.2740 13.2740 13.2939 13.2939 14.0167 14.0167 14.0596 14.0596 14.1982 14.1982 k = 0.4000 0.4619 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6008 -16.6008 -16.5986 -16.5986 -16.1038 -16.1038 -16.1010 -16.1010 -16.0885 -16.0885 -16.0871 -16.0871 2.8702 2.8702 2.8775 2.8775 5.7019 5.7019 5.7898 5.7898 6.0455 6.0455 6.3716 6.3716 6.4772 6.4772 6.6188 6.6188 7.1535 7.1535 7.4516 7.4516 7.6265 7.6265 7.7951 7.7951 7.9378 7.9378 8.2792 8.2792 9.6245 9.6245 9.8705 9.8705 11.1671 11.1671 11.2425 11.2425 13.2725 13.2725 13.2928 13.2928 14.0010 14.0010 14.0449 14.0449 14.2153 14.2153 k = 0.3933 0.4734 0.3147 ( 4568 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6009 -16.6009 -16.5986 -16.5986 -16.1038 -16.1038 -16.1009 -16.1009 -16.0886 -16.0886 -16.0872 -16.0872 2.8786 2.8786 2.8863 2.8863 5.7212 5.7212 5.8104 5.8104 6.0343 6.0343 6.3640 6.3640 6.4681 6.4681 6.6267 6.6267 7.1446 7.1446 7.4415 7.4415 7.6285 7.6285 7.7956 7.7956 7.9334 7.9334 8.3132 8.3132 9.5635 9.5635 9.8087 9.8087 11.1708 11.1708 11.2468 11.2468 13.2722 13.2722 13.2928 13.2928 13.9843 13.9843 14.0298 14.0298 14.2337 14.2337 k = 0.3867 0.4850 0.3147 ( 4568 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6010 -16.6010 -16.5986 -16.5986 -16.1039 -16.1039 -16.1009 -16.1009 -16.0888 -16.0888 -16.0873 -16.0873 2.8866 2.8866 2.8947 2.8947 5.7412 5.7412 5.8311 5.8311 6.0237 6.0237 6.3545 6.3545 6.4610 6.4610 6.6328 6.6328 7.1353 7.1353 7.4324 7.4324 7.6272 7.6272 7.7993 7.7993 7.9294 7.9294 8.3469 8.3469 9.5066 9.5066 9.7491 9.7491 11.1740 11.1740 11.2505 11.2505 13.2728 13.2728 13.2938 13.2938 13.9672 13.9672 14.0145 14.0145 14.2528 14.2528 k = 0.3800 0.4965 0.3147 ( 4572 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6010 -16.6010 -16.5986 -16.5986 -16.1040 -16.1040 -16.1008 -16.1008 -16.0889 -16.0889 -16.0874 -16.0874 2.8943 2.8943 2.9028 2.9028 5.7615 5.7615 5.8516 5.8516 6.0137 6.0137 6.3425 6.3425 6.4568 6.4568 6.6367 6.6367 7.1255 7.1255 7.4248 7.4248 7.6227 7.6227 7.8055 7.8055 7.9259 7.9259 8.3796 8.3796 9.4545 9.4545 9.6927 9.6927 11.1765 11.1765 11.2537 11.2537 13.2743 13.2743 13.2956 13.2956 13.9503 13.9503 13.9996 13.9996 14.2721 14.2721 k = 0.3733 0.5081 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6011 -16.6011 -16.5986 -16.5986 -16.1040 -16.1040 -16.1008 -16.1008 -16.0890 -16.0890 -16.0874 -16.0874 2.9015 2.9015 2.9103 2.9103 5.7815 5.7815 5.8718 5.8718 6.0043 6.0043 6.3283 6.3283 6.4557 6.4557 6.6382 6.6382 7.1156 7.1156 7.4192 7.4192 7.6161 7.6161 7.8127 7.8127 7.9233 7.9233 8.4108 8.4108 9.4077 9.4077 9.6405 9.6405 11.1785 11.1785 11.2563 11.2563 13.2765 13.2765 13.2980 13.2980 13.9341 13.9341 13.9853 13.9853 14.2910 14.2910 k = 0.3667 0.5196 0.3147 ( 4574 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6012 -16.6012 -16.5986 -16.5986 -16.1041 -16.1041 -16.1008 -16.1008 -16.0891 -16.0891 -16.0875 -16.0875 2.9079 2.9079 2.9170 2.9170 5.8006 5.8006 5.8912 5.8912 5.9956 5.9956 6.3124 6.3124 6.4578 6.4578 6.6371 6.6371 7.1059 7.1059 7.4154 7.4154 7.6082 7.6082 7.8197 7.8197 7.9217 7.9217 8.4397 8.4397 9.3669 9.3669 9.5934 9.5934 11.1800 11.1800 11.2584 11.2584 13.2792 13.2792 13.3008 13.3008 13.9191 13.9191 13.9722 13.9722 14.3091 14.3091 k = 0.3600 0.5312 0.3147 ( 4570 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6012 -16.6012 -16.5986 -16.5986 -16.1042 -16.1042 -16.1007 -16.1007 -16.0892 -16.0892 -16.0875 -16.0875 2.9136 2.9136 2.9229 2.9229 5.8180 5.8180 5.9095 5.9095 5.9880 5.9880 6.2959 6.2959 6.4625 6.4625 6.6336 6.6336 7.0970 7.0970 7.4134 7.4134 7.6002 7.6002 7.8255 7.8255 7.9211 7.9211 8.4653 8.4653 9.3328 9.3328 9.5526 9.5526 11.1811 11.1811 11.2600 11.2600 13.2820 13.2820 13.3037 13.3037 13.9058 13.9058 13.9606 13.9606 14.3256 14.3256 k = 0.3533 0.5427 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6013 -16.6013 -16.5986 -16.5986 -16.1042 -16.1042 -16.1007 -16.1007 -16.0893 -16.0893 -16.0875 -16.0875 2.9182 2.9182 2.9277 2.9277 5.8329 5.8329 5.9257 5.9257 5.9817 5.9817 6.2802 6.2802 6.4692 6.4692 6.6280 6.6280 7.0893 7.0893 7.4126 7.4126 7.5928 7.5928 7.8296 7.8296 7.9216 7.9216 8.4866 8.4866 9.3057 9.3057 9.5193 9.5193 11.1818 11.1818 11.2612 11.2612 13.2848 13.2848 13.3064 13.3064 13.8948 13.8948 13.9509 13.9509 14.3397 14.3397 k = 0.3467 0.5543 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6013 -16.6013 -16.5986 -16.5986 -16.1042 -16.1042 -16.1007 -16.1007 -16.0893 -16.0893 -16.0876 -16.0876 2.9217 2.9217 2.9314 2.9314 5.8444 5.8444 5.9384 5.9384 5.9776 5.9776 6.2668 6.2668 6.4767 6.4767 6.6213 6.6213 7.0835 7.0835 7.4127 7.4127 7.5868 7.5868 7.8320 7.8320 7.9225 7.9225 8.5027 8.5027 9.2861 9.2861 9.4945 9.4945 11.1822 11.1822 11.2620 11.2620 13.2871 13.2871 13.3087 13.3087 13.8864 13.8864 13.9435 13.9435 14.3506 14.3506 k = 0.3400 0.5658 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6013 -16.6013 -16.5986 -16.5986 -16.1043 -16.1043 -16.1007 -16.1007 -16.0893 -16.0893 -16.0876 -16.0876 2.9239 2.9239 2.9337 2.9337 5.8516 5.8516 5.9456 5.9456 5.9765 5.9765 6.2576 6.2576 6.4830 6.4830 6.6153 6.6153 7.0799 7.0799 7.4131 7.4131 7.5829 7.5829 7.8330 7.8330 7.9234 7.9234 8.5126 8.5126 9.2743 9.2743 9.4792 9.4792 11.1824 11.1824 11.2624 11.2624 13.2887 13.2887 13.3101 13.3101 13.8812 13.8812 13.9389 13.9389 14.3576 14.3576 k = 0.3333 0.5774 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6013 -16.6013 -16.5986 -16.5986 -16.1043 -16.1043 -16.1007 -16.1007 -16.0893 -16.0893 -16.0876 -16.0876 2.9247 2.9247 2.9345 2.9345 5.8541 5.8541 5.9475 5.9475 5.9769 5.9769 6.2543 6.2543 6.4856 6.4856 6.6126 6.6126 7.0787 7.0787 7.4132 7.4132 7.5815 7.5815 7.8332 7.8332 7.9238 7.9238 8.5160 8.5160 9.2704 9.2704 9.4741 9.4741 11.1825 11.1825 11.2625 11.2625 13.2893 13.2893 13.3107 13.3107 13.8794 13.8794 13.9373 13.9373 14.3600 14.3600 k = 0.3333 0.5774 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6013 -16.6013 -16.5986 -16.5986 -16.1043 -16.1043 -16.1007 -16.1007 -16.0893 -16.0893 -16.0876 -16.0876 2.9247 2.9247 2.9345 2.9345 5.8541 5.8541 5.9475 5.9475 5.9769 5.9769 6.2543 6.2543 6.4856 6.4856 6.6126 6.6126 7.0787 7.0787 7.4132 7.4132 7.5815 7.5815 7.8332 7.8332 7.9238 7.9238 8.5160 8.5160 9.2704 9.2704 9.4741 9.4741 11.1825 11.1825 11.2625 11.2625 13.2893 13.2893 13.3107 13.3107 13.8794 13.8794 13.9373 13.9373 14.3600 14.3600 k = 0.3265 0.5656 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6013 -16.6013 -16.5986 -16.5986 -16.1042 -16.1042 -16.1007 -16.1007 -16.0893 -16.0893 -16.0876 -16.0876 2.9238 2.9238 2.9336 2.9336 5.8515 5.8515 5.9463 5.9463 5.9754 5.9754 6.2578 6.2578 6.4824 6.4824 6.6160 6.6160 7.0799 7.0799 7.4130 7.4130 7.5830 7.5830 7.8332 7.8332 7.9234 7.9234 8.5126 8.5126 9.2744 9.2744 9.4794 9.4794 11.1825 11.1825 11.2624 11.2624 13.2886 13.2886 13.3101 13.3101 13.8813 13.8813 13.9390 13.9390 14.3575 14.3575 k = 0.3197 0.5538 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6013 -16.6013 -16.5986 -16.5986 -16.1042 -16.1042 -16.1007 -16.1007 -16.0893 -16.0893 -16.0876 -16.0876 2.9212 2.9212 2.9309 2.9309 5.8442 5.8442 5.9433 5.9433 5.9705 5.9705 6.2679 6.2679 6.4732 6.4732 6.6262 6.6262 7.0835 7.0835 7.4123 7.4123 7.5873 7.5873 7.8337 7.8337 7.9220 7.9220 8.5027 8.5027 9.2862 9.2862 9.4951 9.4951 11.1824 11.1824 11.2621 11.2621 13.2865 13.2865 13.3084 13.3084 13.8872 13.8872 13.9443 13.9443 14.3499 14.3499 k = 0.3129 0.5420 0.3147 ( 4562 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6012 -16.6012 -16.5986 -16.5986 -16.1042 -16.1042 -16.1007 -16.1007 -16.0892 -16.0892 -16.0875 -16.0875 2.9167 2.9167 2.9262 2.9262 5.8324 5.8324 5.9379 5.9379 5.9634 5.9634 6.2822 6.2822 6.4610 6.4610 6.6416 6.6416 7.0892 7.0892 7.4114 7.4114 7.5939 7.5939 7.8354 7.8354 7.9199 7.9199 8.4874 8.4874 9.3054 9.3054 9.5205 9.5205 11.1824 11.1824 11.2618 11.2618 13.2828 13.2828 13.3057 13.3057 13.8970 13.8970 13.9531 13.9531 14.3379 14.3379 k = 0.3061 0.5302 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6012 -16.6012 -16.5986 -16.5986 -16.1041 -16.1041 -16.1007 -16.1007 -16.0892 -16.0892 -16.0875 -16.0875 2.9101 2.9101 2.9194 2.9194 5.8170 5.8170 5.9292 5.9292 5.9561 5.9561 6.2967 6.2967 6.4501 6.4501 6.6601 6.6601 7.0964 7.0964 7.4105 7.4105 7.6024 7.6024 7.8392 7.8392 7.9175 7.9175 8.4679 8.4679 9.3313 9.3313 9.5545 9.5545 11.1824 11.1824 11.2614 11.2614 13.2777 13.2777 13.3021 13.3021 13.9105 13.9105 13.9653 13.9653 14.3221 14.3221 k = 0.2993 0.5184 0.3147 ( 4570 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6011 -16.6011 -16.5985 -16.5985 -16.1040 -16.1040 -16.1007 -16.1007 -16.0891 -16.0891 -16.0875 -16.0875 2.9014 2.9014 2.9104 2.9104 5.7984 5.7984 5.9171 5.9171 5.9496 5.9496 6.3065 6.3065 6.4457 6.4457 6.6800 6.6800 7.1048 7.1048 7.4101 7.4101 7.6116 7.6116 7.8459 7.8459 7.9153 7.9153 8.4456 8.4456 9.3634 9.3634 9.5960 9.5960 11.1826 11.1826 11.2610 11.2610 13.2713 13.2713 13.2978 13.2978 13.9274 13.9274 13.9806 13.9806 14.3033 14.3033 k = 0.2925 0.5067 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6011 -16.6011 -16.5985 -16.5985 -16.1039 -16.1039 -16.1006 -16.1006 -16.0891 -16.0891 -16.0874 -16.0874 2.8905 2.8905 2.8992 2.8992 5.7774 5.7774 5.9030 5.9030 5.9436 5.9436 6.3069 6.3069 6.4521 6.4521 6.7002 6.7002 7.1139 7.1139 7.4104 7.4104 7.6207 7.6207 7.8565 7.8565 7.9142 7.9142 8.4220 8.4220 9.4011 9.4011 9.6439 9.6439 11.1830 11.1830 11.2608 11.2608 13.2641 13.2641 13.2931 13.2931 13.9470 13.9470 13.9984 13.9984 14.2826 14.2826 k = 0.2857 0.4949 0.3147 ( 4568 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6010 -16.6010 -16.5985 -16.5985 -16.1038 -16.1038 -16.1006 -16.1006 -16.0890 -16.0890 -16.0874 -16.0874 2.8773 2.8773 2.8856 2.8856 5.7548 5.7548 5.8876 5.8876 5.9374 5.9374 6.2984 6.2984 6.4686 6.4686 6.7195 6.7195 7.1233 7.1233 7.4113 7.4113 7.6289 7.6289 7.8712 7.8712 7.9156 7.9156 8.3983 8.3983 9.4439 9.4439 9.6972 9.6972 11.1835 11.1835 11.2608 11.2608 13.2563 13.2563 13.2883 13.2883 13.9688 13.9688 14.0179 14.0179 14.2611 14.2611 k = 0.2789 0.4831 0.3147 ( 4572 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6009 -16.6009 -16.5984 -16.5984 -16.1036 -16.1036 -16.1005 -16.1005 -16.0889 -16.0889 -16.0873 -16.0873 2.8617 2.8617 2.8697 2.8697 5.7313 5.7313 5.8716 5.8716 5.9308 5.9308 6.2846 6.2846 6.4913 6.4913 6.7374 6.7374 7.1325 7.1325 7.4126 7.4126 7.6354 7.6354 7.8872 7.8872 7.9234 7.9234 8.3761 8.3761 9.4911 9.4911 9.7550 9.7550 11.1842 11.1842 11.2610 11.2610 13.2483 13.2483 13.2836 13.2836 13.9914 13.9914 14.0375 14.0375 14.2406 14.2406 k = 0.2721 0.4713 0.3147 ( 4560 PWs) bands (ev): -37.6137 -37.6137 -37.6137 -37.6137 -16.6007 -16.6007 -16.5983 -16.5983 -16.1034 -16.1034 -16.1004 -16.1004 -16.0887 -16.0887 -16.0873 -16.0873 2.8439 2.8439 2.8515 2.8515 5.7074 5.7074 5.8550 5.8550 5.9240 5.9240 6.2686 6.2686 6.5165 6.5165 6.7533 6.7533 7.1413 7.1413 7.4139 7.4139 7.6401 7.6401 7.8980 7.8980 7.9451 7.9451 8.3568 8.3568 9.5424 9.5424 9.8166 9.8166 11.1851 11.1851 11.2616 11.2616 13.2404 13.2404 13.2793 13.2793 14.0132 14.0132 14.0543 14.0543 14.2238 14.2238 k = 0.2653 0.4595 0.3147 ( 4564 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.6006 -16.6006 -16.5983 -16.5983 -16.1032 -16.1032 -16.1003 -16.1003 -16.0886 -16.0886 -16.0872 -16.0872 2.8237 2.8237 2.8308 2.8308 5.6838 5.6838 5.8380 5.8380 5.9169 5.9169 6.2521 6.2521 6.5421 6.5421 6.7667 6.7667 7.1497 7.1497 7.4147 7.4147 7.6431 7.6431 7.9033 7.9033 7.9807 7.9807 8.3419 8.3419 9.5973 9.5973 9.8814 9.8814 11.1862 11.1862 11.2627 11.2627 13.2331 13.2331 13.2756 13.2756 14.0312 14.0312 14.0639 14.0639 14.2152 14.2152 k = 0.2585 0.4477 0.3147 ( 4556 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.6004 -16.6004 -16.5982 -16.5982 -16.1029 -16.1029 -16.1002 -16.1002 -16.0885 -16.0885 -16.0871 -16.0871 2.8012 2.8012 2.8080 2.8080 5.6609 5.6609 5.8207 5.8207 5.9096 5.9096 6.2361 6.2361 6.5668 6.5668 6.7775 6.7775 7.1574 7.1574 7.4144 7.4144 7.6448 7.6448 7.9064 7.9064 8.0261 8.0261 8.3333 8.3333 9.6553 9.6553 9.9488 9.9488 11.1875 11.1875 11.2642 11.2642 13.2266 13.2266 13.2728 13.2728 14.0411 14.0411 14.0624 14.0624 14.2187 14.2187 k = 0.2517 0.4360 0.3147 ( 4560 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.6003 -16.6003 -16.5981 -16.5981 -16.1027 -16.1027 -16.1000 -16.1000 -16.0884 -16.0884 -16.0871 -16.0871 2.7765 2.7765 2.7828 2.7828 5.6391 5.6391 5.8034 5.8034 5.9024 5.9024 6.2209 6.2209 6.5897 6.5897 6.7853 6.7853 7.1644 7.1644 7.4128 7.4128 7.6456 7.6456 7.9078 7.9078 8.0795 8.0795 8.3329 8.3329 9.7161 9.7161 10.0185 10.0185 11.1888 11.1888 11.2663 11.2663 13.2211 13.2211 13.2711 13.2711 14.0371 14.0371 14.0526 14.0526 14.2341 14.2341 k = 0.2449 0.4242 0.3147 ( 4564 PWs) bands (ev): -37.6138 -37.6138 -37.6137 -37.6137 -16.6001 -16.6001 -16.5980 -16.5980 -16.1024 -16.1024 -16.0999 -16.0999 -16.0883 -16.0883 -16.0870 -16.0870 2.7497 2.7497 2.7556 2.7556 5.6185 5.6185 5.7862 5.7862 5.8952 5.8952 6.2066 6.2066 6.6105 6.6105 6.7904 6.7904 7.1705 7.1705 7.4097 7.4097 7.6456 7.6456 7.9068 7.9068 8.1398 8.1398 8.3423 8.3423 9.7793 9.7793 10.0900 10.0900 11.1903 11.1903 11.2691 11.2691 13.2168 13.2168 13.2706 13.2706 14.0185 14.0185 14.0391 14.0391 14.2586 14.2586 k = 0.2381 0.4124 0.3147 ( 4570 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5999 -16.5999 -16.5979 -16.5979 -16.1020 -16.1020 -16.0997 -16.0997 -16.0882 -16.0882 -16.0870 -16.0870 2.7208 2.7208 2.7263 2.7263 5.5995 5.5995 5.7693 5.7693 5.8881 5.8881 6.1932 6.1932 6.6289 6.6289 6.7928 6.7928 7.1758 7.1758 7.4049 7.4049 7.6452 7.6452 7.9028 7.9028 8.2063 8.2063 8.3629 8.3629 9.8447 9.8447 10.1630 10.1630 11.1918 11.1918 11.2725 11.2725 13.2140 13.2140 13.2716 13.2716 13.9928 13.9928 14.0209 14.0209 14.2897 14.2897 k = 0.2313 0.4006 0.3147 ( 4568 PWs) bands (ev): -37.6139 -37.6139 -37.6138 -37.6138 -16.5997 -16.5997 -16.5978 -16.5978 -16.1017 -16.1017 -16.0994 -16.0994 -16.0881 -16.0881 -16.0869 -16.0869 2.6901 2.6901 2.6951 2.6951 5.5822 5.5822 5.7530 5.7530 5.8812 5.8812 6.1805 6.1805 6.6447 6.6447 6.7927 6.7927 7.1800 7.1800 7.3988 7.3988 7.6444 7.6444 7.8955 7.8955 8.2780 8.2780 8.3954 8.3954 9.9119 9.9119 10.2372 10.2372 11.1933 11.1933 11.2768 11.2768 13.2129 13.2129 13.2741 13.2741 13.9642 13.9642 13.9989 13.9989 14.3251 14.3251 k = 0.2245 0.3888 0.3147 ( 4558 PWs) bands (ev): -37.6139 -37.6139 -37.6138 -37.6138 -16.5995 -16.5995 -16.5977 -16.5977 -16.1013 -16.1013 -16.0992 -16.0992 -16.0879 -16.0879 -16.0868 -16.0868 2.6576 2.6576 2.6623 2.6623 5.5666 5.5666 5.7373 5.7373 5.8746 5.8746 6.1685 6.1685 6.6580 6.6580 6.7903 6.7903 7.1831 7.1831 7.3914 7.3914 7.6431 7.6431 7.8850 7.8850 8.3539 8.3539 8.4401 8.4401 9.9806 9.9806 10.3124 10.3124 11.1949 11.1949 11.2819 11.2819 13.2134 13.2134 13.2782 13.2782 13.9342 13.9342 13.9744 13.9744 14.3633 14.3633 k = 0.2177 0.3770 0.3147 ( 4550 PWs) bands (ev): -37.6139 -37.6139 -37.6138 -37.6138 -16.5992 -16.5992 -16.5975 -16.5975 -16.1008 -16.1008 -16.0989 -16.0989 -16.0878 -16.0878 -16.0868 -16.0868 2.6235 2.6235 2.6278 2.6278 5.5528 5.5528 5.7225 5.7225 5.8683 5.8683 6.1570 6.1570 6.6688 6.6688 6.7861 6.7861 7.1851 7.1851 7.3832 7.3832 7.6415 7.6415 7.8719 7.8719 8.4325 8.4325 8.4972 8.4972 10.0506 10.0506 10.3881 10.3881 11.1966 11.1966 11.2879 11.2879 13.2156 13.2156 13.2839 13.2839 13.9034 13.9034 13.9488 13.9488 14.4028 14.4028 k = 0.2109 0.3653 0.3147 ( 4558 PWs) bands (ev): -37.6140 -37.6140 -37.6139 -37.6139 -16.5990 -16.5990 -16.5974 -16.5974 -16.1004 -16.1004 -16.0986 -16.0986 -16.0877 -16.0877 -16.0867 -16.0867 2.5880 2.5880 2.5920 2.5920 5.5407 5.5407 5.7086 5.7086 5.8622 5.8622 6.1459 6.1459 6.6773 6.6773 6.7803 6.7803 7.1861 7.1861 7.3742 7.3742 7.6394 7.6394 7.8568 7.8568 8.5117 8.5117 8.5670 8.5670 10.1215 10.1215 10.4642 10.4642 11.1982 11.1982 11.2949 11.2949 13.2197 13.2197 13.2911 13.2911 13.8724 13.8724 13.9225 13.9225 14.4422 14.4422 k = 0.2041 0.3535 0.3147 ( 4562 PWs) bands (ev): -37.6140 -37.6140 -37.6139 -37.6139 -16.5988 -16.5988 -16.5972 -16.5972 -16.0999 -16.0999 -16.0982 -16.0982 -16.0876 -16.0876 -16.0867 -16.0867 2.5514 2.5514 2.5551 2.5551 5.5305 5.5305 5.6956 5.6956 5.8566 5.8566 6.1351 6.1351 6.6834 6.6834 6.7731 6.7731 7.1862 7.1862 7.3648 7.3648 7.6369 7.6369 7.8402 7.8402 8.5911 8.5911 8.6485 8.6485 10.1931 10.1931 10.5403 10.5403 11.2000 11.2000 11.3030 11.3030 13.2254 13.2254 13.3000 13.3000 13.8415 13.8415 13.8961 13.8961 14.4789 14.4789 k = 0.1973 0.3417 0.3147 ( 4570 PWs) bands (ev): -37.6140 -37.6140 -37.6139 -37.6139 -16.5985 -16.5985 -16.5971 -16.5971 -16.0995 -16.0995 -16.0979 -16.0979 -16.0876 -16.0876 -16.0867 -16.0867 2.5137 2.5137 2.5171 2.5171 5.5220 5.5220 5.6836 5.6836 5.8513 5.8513 6.1244 6.1244 6.6876 6.6876 6.7649 6.7649 7.1855 7.1855 7.3551 7.3551 7.6338 7.6338 7.8227 7.8227 8.6723 8.6723 8.7385 8.7385 10.2650 10.2650 10.6162 10.6162 11.2021 11.2021 11.3122 11.3122 13.2328 13.2328 13.3103 13.3103 13.8109 13.8109 13.8699 13.8699 14.5077 14.5077 k = 0.1905 0.3299 0.3147 ( 4562 PWs) bands (ev): -37.6141 -37.6141 -37.6140 -37.6140 -16.5982 -16.5982 -16.5969 -16.5969 -16.0990 -16.0990 -16.0975 -16.0975 -16.0875 -16.0875 -16.0866 -16.0866 2.4753 2.4753 2.4784 2.4784 5.5151 5.5151 5.6726 5.6726 5.8465 5.8465 6.1138 6.1138 6.6898 6.6898 6.7559 6.7559 7.1843 7.1843 7.3455 7.3455 7.6302 7.6302 7.8047 7.8047 8.7568 8.7568 8.8343 8.8343 10.3370 10.3370 10.6915 10.6915 11.2046 11.2046 11.3228 11.3228 13.2418 13.2418 13.3220 13.3220 13.7808 13.7808 13.8440 13.8440 14.5184 14.5184 k = 0.1837 0.3181 0.3147 ( 4566 PWs) bands (ev): -37.6141 -37.6141 -37.6140 -37.6140 -16.5980 -16.5980 -16.5967 -16.5967 -16.0984 -16.0984 -16.0971 -16.0971 -16.0874 -16.0874 -16.0866 -16.0866 2.4363 2.4363 2.4391 2.4391 5.5099 5.5099 5.6624 5.6624 5.8422 5.8422 6.1032 6.1032 6.6903 6.6903 6.7463 6.7463 7.1825 7.1825 7.3359 7.3359 7.6260 7.6260 7.7863 7.7863 8.8450 8.8450 8.9343 8.9343 10.4087 10.4087 10.7658 10.7658 11.2078 11.2078 11.3348 11.3348 13.2522 13.2522 13.3348 13.3348 13.7514 13.7514 13.8187 13.8187 14.5077 14.5077 k = 0.1769 0.3063 0.3147 ( 4562 PWs) bands (ev): -37.6141 -37.6141 -37.6141 -37.6141 -16.5977 -16.5977 -16.5965 -16.5965 -16.0979 -16.0979 -16.0966 -16.0966 -16.0873 -16.0873 -16.0865 -16.0865 2.3969 2.3969 2.3994 2.3994 5.5061 5.5061 5.6531 5.6531 5.8383 5.8383 6.0927 6.0927 6.6893 6.6893 6.7363 6.7363 7.1804 7.1804 7.3265 7.3265 7.6213 7.6213 7.7678 7.7678 8.9366 8.9366 9.0374 9.0374 10.4796 10.4796 10.8387 10.8387 11.2121 11.2121 11.3486 11.3486 13.2638 13.2638 13.3487 13.3487 13.7229 13.7229 13.7940 13.7940 14.4819 14.4819 k = 0.1701 0.2946 0.3147 ( 4562 PWs) bands (ev): -37.6142 -37.6142 -37.6141 -37.6141 -16.5974 -16.5974 -16.5963 -16.5963 -16.0974 -16.0974 -16.0962 -16.0962 -16.0872 -16.0872 -16.0865 -16.0865 2.3573 2.3573 2.3596 2.3596 5.5038 5.5038 5.6446 5.6446 5.8350 5.8350 6.0820 6.0820 6.6870 6.6870 6.7261 6.7261 7.1781 7.1781 7.3175 7.3175 7.6160 7.6160 7.7492 7.7492 9.0311 9.0311 9.1432 9.1432 10.5491 10.5491 10.9096 10.9096 11.2180 11.2180 11.3646 11.3646 13.2764 13.2764 13.3632 13.3632 13.6953 13.6953 13.7703 13.7703 14.4473 14.4473 k = 0.1633 0.2828 0.3147 ( 4564 PWs) bands (ev): -37.6142 -37.6142 -37.6141 -37.6141 -16.5972 -16.5972 -16.5961 -16.5961 -16.0968 -16.0968 -16.0957 -16.0957 -16.0872 -16.0872 -16.0865 -16.0865 2.3178 2.3178 2.3199 2.3199 5.5027 5.5027 5.6367 5.6367 5.8321 5.8321 6.0713 6.0713 6.6835 6.6835 6.7159 6.7159 7.1756 7.1756 7.3090 7.3090 7.6102 7.6102 7.7307 7.7307 9.1278 9.1278 9.2511 9.2511 10.6166 10.6166 10.9777 10.9777 11.2261 11.2261 11.3832 11.3832 13.2896 13.2896 13.3782 13.3782 13.6688 13.6688 13.7474 13.7474 14.4079 14.4079 k = 0.1565 0.2710 0.3147 ( 4564 PWs) bands (ev): -37.6142 -37.6142 -37.6142 -37.6142 -16.5969 -16.5969 -16.5959 -16.5959 -16.0962 -16.0962 -16.0953 -16.0953 -16.0871 -16.0871 -16.0864 -16.0864 2.2785 2.2785 2.2803 2.2803 5.5027 5.5027 5.6294 5.6294 5.8299 5.8299 6.0606 6.0606 6.6789 6.6789 6.7060 6.7060 7.1730 7.1730 7.3009 7.3009 7.6038 7.6038 7.7124 7.7124 9.2263 9.2263 9.3608 9.3608 10.6812 10.6812 11.0423 11.0423 11.2375 11.2375 11.4051 11.4051 13.3031 13.3031 13.3933 13.3933 13.6435 13.6435 13.7258 13.7258 14.3657 14.3657 k = 0.1497 0.2592 0.3147 ( 4566 PWs) bands (ev): -37.6143 -37.6143 -37.6142 -37.6142 -16.5966 -16.5966 -16.5957 -16.5957 -16.0957 -16.0957 -16.0948 -16.0948 -16.0870 -16.0870 -16.0864 -16.0864 2.2396 2.2396 2.2412 2.2412 5.5038 5.5038 5.6226 5.6226 5.8281 5.8281 6.0499 6.0499 6.6733 6.6733 6.6965 6.6965 7.1705 7.1705 7.2934 7.2934 7.5970 7.5970 7.6943 7.6943 9.3257 9.3257 9.4718 9.4718 10.7420 10.7420 11.1022 11.1022 11.2532 11.2532 11.4311 11.4311 13.3164 13.3164 13.4080 13.4080 13.6197 13.6197 13.7054 13.7054 14.3220 14.3220 k = 0.1429 0.2474 0.3147 ( 4570 PWs) bands (ev): -37.6143 -37.6143 -37.6143 -37.6143 -16.5964 -16.5964 -16.5955 -16.5955 -16.0951 -16.0951 -16.0943 -16.0943 -16.0870 -16.0870 -16.0864 -16.0864 2.2012 2.2012 2.2026 2.2026 5.5058 5.5058 5.6163 5.6163 5.8269 5.8269 6.0392 6.0392 6.6668 6.6668 6.6876 6.6876 7.1680 7.1680 7.2865 7.2865 7.5897 7.5897 7.6764 7.6764 9.4254 9.4254 9.5839 9.5839 10.7979 10.7979 11.1568 11.1568 11.2746 11.2746 11.4619 11.4619 13.3293 13.3293 13.4220 13.4220 13.5976 13.5976 13.6865 13.6865 14.2773 14.2773 k = 0.1361 0.2357 0.3147 ( 4562 PWs) bands (ev): -37.6144 -37.6144 -37.6143 -37.6143 -16.5961 -16.5961 -16.5953 -16.5953 -16.0945 -16.0945 -16.0938 -16.0938 -16.0870 -16.0870 -16.0864 -16.0864 2.1636 2.1636 2.1648 2.1648 5.5085 5.5085 5.6104 5.6104 5.8262 5.8262 6.0285 6.0285 6.6595 6.6595 6.6794 6.6794 7.1657 7.1657 7.2801 7.2801 7.5820 7.5820 7.6589 7.6589 9.5247 9.5247 9.6964 9.6964 10.8478 10.8478 11.2060 11.2060 11.3021 11.3021 11.4981 11.4981 13.3412 13.3412 13.4346 13.4346 13.5776 13.5776 13.6694 13.6694 14.2321 14.2321 k = 0.1293 0.2239 0.3147 ( 4562 PWs) bands (ev): -37.6144 -37.6144 -37.6143 -37.6143 -16.5958 -16.5958 -16.5951 -16.5951 -16.0940 -16.0940 -16.0933 -16.0933 -16.0869 -16.0869 -16.0864 -16.0864 2.1269 2.1269 2.1279 2.1279 5.5118 5.5118 5.6049 5.6049 5.8259 5.8259 6.0180 6.0180 6.6516 6.6516 6.6719 6.6719 7.1635 7.1635 7.2742 7.2742 7.5740 7.5740 7.6416 7.6416 9.6227 9.6227 9.8087 9.8087 10.8911 10.8911 11.2515 11.2515 11.3351 11.3351 11.5396 11.5396 13.3517 13.3517 13.4449 13.4449 13.5603 13.5603 13.6542 13.6542 14.1863 14.1863 k = 0.1224 0.2121 0.3147 ( 4566 PWs) bands (ev): -37.6144 -37.6144 -37.6144 -37.6144 -16.5956 -16.5956 -16.5948 -16.5948 -16.0934 -16.0934 -16.0928 -16.0928 -16.0869 -16.0869 -16.0864 -16.0864 2.0913 2.0913 2.0921 2.0921 5.5156 5.5156 5.5997 5.5997 5.8262 5.8262 6.0077 6.0077 6.6435 6.6435 6.6648 6.6648 7.1616 7.1616 7.2689 7.2689 7.5657 7.5657 7.6248 7.6248 9.7188 9.7188 9.9203 9.9203 10.9282 10.9282 11.2954 11.2954 11.3725 11.3725 11.5855 11.5855 13.3604 13.3604 13.4516 13.4516 13.5466 13.5466 13.6411 13.6411 14.1402 14.1402 k = 0.1156 0.2003 0.3147 ( 4572 PWs) bands (ev): -37.6145 -37.6145 -37.6144 -37.6144 -16.5953 -16.5953 -16.5947 -16.5947 -16.0929 -16.0929 -16.0923 -16.0923 -16.0869 -16.0869 -16.0864 -16.0864 2.0568 2.0568 2.0575 2.0575 5.5198 5.5198 5.5947 5.5947 5.8268 5.8268 5.9977 5.9977 6.6354 6.6354 6.6581 6.6581 7.1600 7.1600 7.2640 7.2640 7.5572 7.5572 7.6084 7.6084 9.8122 9.8122 10.0299 10.0299 10.9603 10.9603 11.3394 11.3394 11.4135 11.4135 11.6344 11.6344 13.3669 13.3669 13.4534 13.4534 13.5378 13.5378 13.6305 13.6305 14.0934 14.0934 k = 0.1088 0.1885 0.3147 ( 4584 PWs) bands (ev): -37.6145 -37.6145 -37.6144 -37.6144 -16.5951 -16.5951 -16.5945 -16.5945 -16.0924 -16.0924 -16.0918 -16.0918 -16.0868 -16.0868 -16.0864 -16.0864 2.0237 2.0237 2.0242 2.0242 5.5241 5.5241 5.5900 5.5900 5.8278 5.8278 5.9880 5.9880 6.6276 6.6276 6.6516 6.6516 7.1587 7.1587 7.2595 7.2595 7.5485 7.5485 7.5925 7.5925 9.9021 9.9021 10.1364 10.1364 10.9895 10.9895 11.3838 11.3838 11.4582 11.4582 11.6850 11.6850 13.3711 13.3711 13.4494 13.4494 13.5342 13.5342 13.6222 13.6222 14.0460 14.0460 k = 0.1020 0.1767 0.3147 ( 4572 PWs) bands (ev): -37.6145 -37.6145 -37.6145 -37.6145 -16.5949 -16.5949 -16.5943 -16.5943 -16.0918 -16.0918 -16.0913 -16.0913 -16.0868 -16.0868 -16.0864 -16.0864 1.9920 1.9920 1.9923 1.9923 5.5285 5.5285 5.5857 5.5857 5.8291 5.8291 5.9786 5.9786 6.6202 6.6202 6.6454 6.6454 7.1579 7.1579 7.2554 7.2554 7.5398 7.5398 7.5771 7.5771 9.9878 9.9878 10.2381 10.2381 11.0186 11.0186 11.4288 11.4288 11.5062 11.5062 11.7358 11.7358 13.3730 13.3730 13.4407 13.4407 13.5348 13.5348 13.6162 13.6162 13.9979 13.9979 k = 0.0952 0.1650 0.3147 ( 4568 PWs) bands (ev): -37.6146 -37.6146 -37.6145 -37.6145 -16.5946 -16.5946 -16.5941 -16.5941 -16.0913 -16.0913 -16.0908 -16.0908 -16.0868 -16.0868 -16.0863 -16.0863 1.9618 1.9618 1.9621 1.9621 5.5329 5.5329 5.5816 5.5816 5.8308 5.8308 5.9698 5.9698 6.6133 6.6133 6.6394 6.6394 7.1576 7.1576 7.2516 7.2516 7.5310 7.5310 7.5623 7.5623 10.0686 10.0686 10.3326 10.3326 11.0506 11.0506 11.4749 11.4749 11.5570 11.5570 11.7858 11.7858 13.3727 13.3727 13.4288 13.4288 13.5376 13.5376 13.6122 13.6122 13.9489 13.9489 k = 0.0884 0.1532 0.3147 ( 4568 PWs) bands (ev): -37.6146 -37.6146 -37.6146 -37.6146 -16.5944 -16.5944 -16.5939 -16.5939 -16.0908 -16.0908 -16.0904 -16.0904 -16.0868 -16.0868 -16.0864 -16.0864 1.9333 1.9333 1.9335 1.9335 5.5370 5.5370 5.5777 5.5777 5.8328 5.8328 5.9613 5.9613 6.6069 6.6069 6.6335 6.6335 7.1578 7.1578 7.2481 7.2481 7.5223 7.5223 7.5482 7.5482 10.1439 10.1439 10.4174 10.4174 11.0890 11.0890 11.5228 11.5228 11.6092 11.6092 11.8339 11.8339 13.3704 13.3704 13.4149 13.4149 13.5411 13.5411 13.6096 13.6096 13.8991 13.8991 k = 0.0816 0.1414 0.3147 ( 4564 PWs) bands (ev): -37.6146 -37.6146 -37.6146 -37.6146 -16.5942 -16.5942 -16.5937 -16.5937 -16.0903 -16.0903 -16.0899 -16.0899 -16.0867 -16.0867 -16.0864 -16.0864 1.9065 1.9065 1.9067 1.9067 5.5409 5.5409 5.5742 5.5742 5.8351 5.8351 5.9534 5.9534 6.6011 6.6011 6.6278 6.6278 7.1585 7.1585 7.2447 7.2447 7.5138 7.5138 7.5348 7.5348 10.2133 10.2133 10.4898 10.4898 11.1368 11.1368 11.5733 11.5733 11.6619 11.6619 11.8796 11.8796 13.3659 13.3659 13.3997 13.3997 13.5447 13.5447 13.6079 13.6079 13.8488 13.8488 k = 0.0748 0.1296 0.3147 ( 4560 PWs) bands (ev): -37.6147 -37.6147 -37.6146 -37.6146 -16.5940 -16.5940 -16.5935 -16.5935 -16.0899 -16.0899 -16.0895 -16.0895 -16.0867 -16.0867 -16.0864 -16.0864 1.8815 1.8815 1.8817 1.8817 5.5444 5.5444 5.5710 5.5710 5.8377 5.8377 5.9460 5.9460 6.5960 6.5960 6.6223 6.6223 7.1597 7.1597 7.2414 7.2414 7.5054 7.5054 7.5221 7.5221 10.2764 10.2764 10.5480 10.5480 11.1957 11.1957 11.6264 11.6264 11.7141 11.7141 11.9222 11.9222 13.3587 13.3587 13.3835 13.3835 13.5479 13.5479 13.6066 13.6066 13.7988 13.7988 k = 0.0680 0.1178 0.3147 ( 4544 PWs) bands (ev): -37.6147 -37.6147 -37.6146 -37.6146 -16.5938 -16.5938 -16.5934 -16.5934 -16.0894 -16.0894 -16.0891 -16.0891 -16.0867 -16.0867 -16.0864 -16.0864 1.8585 1.8585 1.8587 1.8587 5.5475 5.5475 5.5681 5.5681 5.8405 5.8405 5.9390 5.9390 6.5915 6.5915 6.6170 6.6170 7.1615 7.1615 7.2382 7.2382 7.4974 7.4974 7.5103 7.5103 10.3331 10.3331 10.5920 10.5920 11.2658 11.2658 11.6820 11.6820 11.7653 11.7653 11.9614 11.9614 13.3470 13.3470 13.3673 13.3673 13.5506 13.5506 13.6051 13.6051 13.7504 13.7504 k = 0.0612 0.1060 0.3147 ( 4544 PWs) bands (ev): -37.6147 -37.6147 -37.6147 -37.6147 -16.5936 -16.5936 -16.5932 -16.5932 -16.0890 -16.0890 -16.0887 -16.0887 -16.0867 -16.0867 -16.0864 -16.0864 1.8374 1.8374 1.8376 1.8376 5.5501 5.5501 5.5655 5.5655 5.8437 5.8437 5.9324 5.9324 6.5876 6.5876 6.6119 6.6119 7.1638 7.1638 7.2349 7.2349 7.4897 7.4897 7.4994 7.4994 10.3836 10.3836 10.6231 10.6231 11.3454 11.3454 11.7390 11.7390 11.8153 11.8153 11.9968 11.9968 13.3289 13.3289 13.3510 13.3510 13.5528 13.5528 13.6027 13.6027 13.7056 13.7056 k = 0.0544 0.0943 0.3147 ( 4548 PWs) bands (ev): -37.6147 -37.6147 -37.6147 -37.6147 -16.5935 -16.5935 -16.5931 -16.5931 -16.0887 -16.0887 -16.0884 -16.0884 -16.0867 -16.0867 -16.0864 -16.0864 1.8184 1.8184 1.8186 1.8186 5.5522 5.5522 5.5633 5.5633 5.8472 5.8472 5.9262 5.9262 6.5843 6.5843 6.6071 6.6071 7.1666 7.1666 7.2317 7.2317 7.4825 7.4825 7.4895 7.4895 10.4281 10.4281 10.6436 10.6436 11.4314 11.4314 11.7956 11.7956 11.8645 11.8645 12.0282 12.0282 13.3048 13.3048 13.3321 13.3321 13.5545 13.5545 13.5987 13.5987 13.6675 13.6675 k = 0.0476 0.0825 0.3147 ( 4556 PWs) bands (ev): -37.6147 -37.6147 -37.6147 -37.6147 -16.5933 -16.5933 -16.5930 -16.5930 -16.0884 -16.0884 -16.0881 -16.0881 -16.0867 -16.0867 -16.0864 -16.0864 1.8015 1.8015 1.8017 1.8017 5.5538 5.5538 5.5614 5.5614 5.8510 5.8510 5.9204 5.9204 6.5817 6.5817 6.6025 6.6025 7.1699 7.1699 7.2283 7.2283 7.4758 7.4758 7.4806 7.4806 10.4671 10.4671 10.6560 10.6560 11.5207 11.5207 11.8490 11.8490 11.9140 11.9140 12.0557 12.0557 13.2758 13.2758 13.3075 13.3075 13.5558 13.5558 13.5918 13.5918 13.6395 13.6395 k = 0.0408 0.0707 0.3147 ( 4560 PWs) bands (ev): -37.6148 -37.6148 -37.6147 -37.6147 -16.5932 -16.5932 -16.5930 -16.5930 -16.0881 -16.0881 -16.0879 -16.0879 -16.0867 -16.0867 -16.0865 -16.0865 1.7868 1.7868 1.7870 1.7870 5.5550 5.5550 5.5599 5.5599 5.8550 5.8550 5.9147 5.9147 6.5798 6.5798 6.5982 6.5982 7.1735 7.1735 7.2248 7.2248 7.4697 7.4697 7.4729 7.4729 10.5011 10.5011 10.6623 10.6623 11.6101 11.6101 11.8956 11.8956 11.9649 11.9649 12.0794 12.0794 13.2427 13.2427 13.2759 13.2759 13.5568 13.5568 13.5827 13.5827 13.6226 13.6226 k = 0.0340 0.0589 0.3147 ( 4552 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5931 -16.5931 -16.5929 -16.5929 -16.0878 -16.0878 -16.0876 -16.0876 -16.0867 -16.0867 -16.0865 -16.0865 1.7742 1.7742 1.7744 1.7744 5.5558 5.5558 5.5587 5.5587 5.8594 5.8594 5.9093 5.9093 6.5784 6.5784 6.5942 6.5942 7.1775 7.1775 7.2211 7.2211 7.4644 7.4644 7.4662 7.4662 10.5306 10.5306 10.6639 10.6639 11.6964 11.6964 11.9337 11.9337 12.0163 12.0163 12.0997 12.0997 13.2069 13.2069 13.2389 13.2389 13.5578 13.5578 13.5749 13.5749 13.6129 13.6129 k = 0.0272 0.0471 0.3147 ( 4560 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5930 -16.5930 -16.5928 -16.5928 -16.0876 -16.0876 -16.0875 -16.0875 -16.0867 -16.0867 -16.0866 -16.0866 1.7640 1.7640 1.7641 1.7641 5.5563 5.5563 5.5577 5.5577 5.8639 5.8639 5.9040 5.9040 6.5776 6.5776 6.5906 6.5906 7.1817 7.1817 7.2173 7.2173 7.4598 7.4598 7.4608 7.4608 10.5562 10.5562 10.6619 10.6619 11.7766 11.7766 11.9630 11.9630 12.0648 12.0648 12.1173 12.1173 13.1704 13.1704 13.1992 13.1992 13.5592 13.5592 13.5709 13.5709 13.6059 13.6059 k = 0.0204 0.0353 0.3147 ( 4558 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5929 -16.5929 -16.5928 -16.5928 -16.0874 -16.0874 -16.0873 -16.0873 -16.0868 -16.0868 -16.0866 -16.0866 1.7559 1.7559 1.7560 1.7560 5.5565 5.5565 5.5571 5.5571 5.8686 5.8686 5.8988 5.8988 6.5775 6.5775 6.5874 6.5874 7.1862 7.1862 7.2132 7.2132 7.4562 7.4562 7.4566 7.4566 10.5783 10.5783 10.6569 10.6569 11.8473 11.8473 11.9832 11.9832 12.1066 12.1066 12.1330 12.1330 13.1368 13.1368 13.1610 13.1610 13.5618 13.5618 13.5700 13.5700 13.5997 13.5997 k = 0.0136 0.0236 0.3147 ( 4550 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5928 -16.5928 -16.5928 -16.5928 -16.0872 -16.0872 -16.0872 -16.0872 -16.0868 -16.0868 -16.0867 -16.0867 1.7502 1.7502 1.7503 1.7503 5.5565 5.5565 5.5567 5.5567 5.8735 5.8735 5.8936 5.8936 6.5778 6.5778 6.5845 6.5845 7.1908 7.1908 7.2090 7.2090 7.4535 7.4535 7.4536 7.4536 10.5974 10.5974 10.6495 10.6495 11.9056 11.9056 11.9933 11.9933 12.1380 12.1380 12.1469 12.1469 13.1100 13.1100 13.1280 13.1280 13.5658 13.5658 13.5711 13.5711 13.5937 13.5939 k = 0.0068 0.0118 0.3147 ( 4542 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5928 -16.5928 -16.5927 -16.5927 -16.0871 -16.0871 -16.0871 -16.0871 -16.0868 -16.0868 -16.0867 -16.0867 1.7467 1.7467 1.7468 1.7468 5.5565 5.5565 5.5565 5.5565 5.8784 5.8784 5.8885 5.8885 6.5788 6.5788 6.5821 6.5821 7.1954 7.1954 7.2046 7.2046 7.4518 7.4518 7.4518 7.4518 10.6139 10.6139 10.6398 10.6398 11.9492 11.9492 11.9920 11.9920 12.1566 12.1566 12.1579 12.1579 13.0942 13.0942 13.1039 13.1039 13.5705 13.5705 13.5732 13.5732 13.5884 13.5885 k = 0.0000 0.0000 0.3147 ( 4542 PWs) bands (ev): -37.6148 -37.6148 -37.6148 -37.6148 -16.5927 -16.5927 -16.5927 -16.5927 -16.0870 -16.0870 -16.0870 -16.0870 -16.0868 -16.0868 -16.0868 -16.0868 1.7456 1.7456 1.7456 1.7456 5.5565 5.5565 5.5565 5.5565 5.8835 5.8835 5.8835 5.8835 6.5802 6.5802 6.5802 6.5802 7.2001 7.2001 7.2001 7.2001 7.4512 7.4512 7.4512 7.4512 10.6280 10.6280 10.6280 10.6280 11.9777 11.9777 11.9777 11.9777 12.1624 12.1624 12.1624 12.1624 13.0920 13.0920 13.0920 13.0920 13.5740 13.5740 13.5740 13.5740 13.5855 13.5855 k = 0.5000 0.2887 0.3147 ( 4580 PWs) bands (ev): -37.6138 -37.6138 -37.6138 -37.6138 -16.5993 -16.5993 -16.5993 -16.5993 -16.1025 -16.1025 -16.1025 -16.1025 -16.0865 -16.0865 -16.0865 -16.0865 2.7890 2.7890 2.7890 2.7890 5.5819 5.5819 5.5819 5.5819 6.2820 6.2820 6.2820 6.2820 6.5396 6.5396 6.5396 6.5396 7.3133 7.3133 7.3133 7.3133 7.7945 7.7945 7.7945 7.7945 7.9659 7.9659 7.9659 7.9659 10.4710 10.4710 10.4710 10.4710 11.1135 11.1135 11.1135 11.1135 13.3548 13.3548 13.3548 13.3548 14.0619 14.0619 14.0619 14.0619 14.2198 14.2198 k = 0.5000 0.2887 0.3010 ( 4572 PWs) bands (ev): -37.6141 -37.6141 -37.6134 -37.6134 -16.6003 -16.6003 -16.5982 -16.5982 -16.1028 -16.1028 -16.1023 -16.1023 -16.0891 -16.0891 -16.0837 -16.0837 2.7798 2.7798 2.7977 2.7977 5.5770 5.5770 5.5877 5.5877 6.2721 6.2721 6.2909 6.2909 6.5274 6.5274 6.5539 6.5539 7.3089 7.3089 7.3180 7.3180 7.7860 7.7860 7.8029 7.8029 7.9529 7.9529 7.9805 7.9805 10.4668 10.4668 10.4744 10.4744 11.0563 11.0563 11.1652 11.1652 13.3316 13.3316 13.3714 13.3714 14.0561 14.0561 14.0678 14.0678 14.1979 14.1979 k = 0.5000 0.2887 0.2873 ( 4568 PWs) bands (ev): -37.6145 -37.6145 -37.6130 -37.6130 -16.6013 -16.6013 -16.5972 -16.5972 -16.1032 -16.1032 -16.1025 -16.1025 -16.0914 -16.0914 -16.0808 -16.0808 2.7701 2.7701 2.8058 2.8058 5.5729 5.5729 5.5944 5.5944 6.2616 6.2616 6.2987 6.2987 6.5173 6.5173 6.5703 6.5703 7.3046 7.3046 7.3229 7.3229 7.7776 7.7776 7.8108 7.8108 7.9416 7.9416 7.9964 7.9964 10.4616 10.4616 10.4771 10.4771 10.9944 10.9944 11.2105 11.2105 13.3030 13.3030 13.3806 13.3806 14.0504 14.0504 14.0736 14.0736 14.1768 14.1768 k = 0.5000 0.2887 0.2736 ( 4578 PWs) bands (ev): -37.6149 -37.6149 -37.6126 -37.6126 -16.6024 -16.6024 -16.5963 -16.5963 -16.1037 -16.1037 -16.1031 -16.1031 -16.0932 -16.0932 -16.0778 -16.0778 2.7601 2.7601 2.8134 2.8134 5.5698 5.5698 5.6017 5.6017 6.2508 6.2508 6.3050 6.3050 6.5094 6.5094 6.5885 6.5885 7.3005 7.3005 7.3280 7.3280 7.7692 7.7692 7.8180 7.8180 7.9322 7.9322 8.0136 8.0136 10.4551 10.4551 10.4792 10.4792 10.9291 10.9291 11.2485 11.2485 13.2701 13.2701 13.3825 13.3825 14.0449 14.0449 14.0792 14.0792 14.1566 14.1566 k = 0.5000 0.2887 0.2599 ( 4584 PWs) bands (ev): -37.6153 -37.6153 -37.6123 -37.6123 -16.6035 -16.6035 -16.5953 -16.5953 -16.1045 -16.1045 -16.1040 -16.1040 -16.0943 -16.0943 -16.0749 -16.0749 2.7498 2.7498 2.8203 2.8203 5.5676 5.5676 5.6096 5.6096 6.2398 6.2398 6.3097 6.3097 6.5037 6.5037 6.6086 6.6086 7.2966 7.2966 7.3334 7.3334 7.7610 7.7610 7.8240 7.8240 7.9252 7.9252 8.0322 8.0322 10.4466 10.4466 10.4808 10.4808 10.8617 10.8617 11.2786 11.2786 13.2342 13.2342 13.3777 13.3777 14.0395 14.0395 14.0840 14.0840 14.1373 14.1373 k = 0.5000 0.2887 0.2463 ( 4570 PWs) bands (ev): -37.6156 -37.6156 -37.6119 -37.6119 -16.6046 -16.6046 -16.5944 -16.5944 -16.1061 -16.1061 -16.1046 -16.1046 -16.0948 -16.0948 -16.0718 -16.0718 2.7394 2.7394 2.8267 2.8267 5.5664 5.5664 5.6180 5.6180 6.2288 6.2288 6.3127 6.3127 6.5002 6.5002 6.6304 6.6304 7.2929 7.2929 7.3391 7.3391 7.7531 7.7531 7.8280 7.8280 7.9213 7.9213 8.0519 8.0519 10.4351 10.4351 10.4820 10.4820 10.7940 10.7940 11.3003 11.3003 13.1965 13.1965 13.3677 13.3677 14.0343 14.0343 14.0869 14.0869 14.1202 14.1202 k = 0.5000 0.2887 0.2326 ( 4572 PWs) bands (ev): -37.6160 -37.6160 -37.6115 -37.6115 -16.6057 -16.6057 -16.5935 -16.5935 -16.1081 -16.1081 -16.1051 -16.1051 -16.0950 -16.0950 -16.0689 -16.0689 2.7288 2.7288 2.8323 2.8323 5.5661 5.5661 5.6268 5.6268 6.2180 6.2180 6.3139 6.3139 6.4987 6.4987 6.6537 6.6537 7.2894 7.2894 7.3453 7.3453 7.7455 7.7455 7.8294 7.8294 7.9208 7.9208 8.0728 8.0728 10.4191 10.4191 10.4827 10.4827 10.7284 10.7284 11.3131 11.3131 13.1578 13.1578 13.3540 13.3540 14.0290 14.0290 14.0835 14.0835 14.1097 14.1097 k = 0.5000 0.2887 0.2189 ( 4564 PWs) bands (ev): -37.6163 -37.6163 -37.6112 -37.6112 -16.6068 -16.6068 -16.5927 -16.5927 -16.1103 -16.1103 -16.1056 -16.1056 -16.0948 -16.0948 -16.0660 -16.0660 2.7182 2.7182 2.8373 2.8373 5.5666 5.5666 5.6358 5.6358 6.2076 6.2076 6.3134 6.3134 6.4990 6.4990 6.6783 6.6783 7.2860 7.2860 7.3519 7.3519 7.7382 7.7382 7.8281 7.8281 7.9240 7.9240 8.0947 8.0947 10.3957 10.3957 10.4830 10.4830 10.6683 10.6683 11.3170 11.3170 13.1189 13.1189 13.3387 13.3387 14.0236 14.0236 14.0709 14.0709 14.1086 14.1086 k = 0.5000 0.2887 0.2052 ( 4572 PWs) bands (ev): -37.6167 -37.6167 -37.6109 -37.6109 -16.6078 -16.6078 -16.5919 -16.5919 -16.1126 -16.1126 -16.1061 -16.1061 -16.0946 -16.0946 -16.0632 -16.0632 2.7077 2.7077 2.8417 2.8417 5.5679 5.5679 5.6449 5.6449 6.1977 6.1977 6.3115 6.3115 6.5008 6.5008 6.7041 6.7041 7.2828 7.2828 7.3591 7.3591 7.7311 7.7311 7.8242 7.8242 7.9305 7.9305 8.1176 8.1176 10.3616 10.3616 10.4828 10.4828 10.6178 10.6178 11.3121 11.3121 13.0806 13.0806 13.3234 13.3234 14.0179 14.0179 14.0554 14.0554 14.1111 14.1111 k = 0.5000 0.2887 0.1915 ( 4568 PWs) bands (ev): -37.6170 -37.6170 -37.6105 -37.6105 -16.6088 -16.6088 -16.5912 -16.5912 -16.1148 -16.1148 -16.1066 -16.1066 -16.0943 -16.0943 -16.0604 -16.0604 2.6973 2.6973 2.8455 2.8455 5.5699 5.5699 5.6540 5.6540 6.1884 6.1884 6.3083 6.3083 6.5038 6.5038 6.7307 6.7307 7.2797 7.2797 7.3670 7.3670 7.7244 7.7244 7.8184 7.8184 7.9396 7.9396 8.1412 8.1412 10.3150 10.3150 10.4823 10.4823 10.5798 10.5798 11.2989 11.2989 13.0433 13.0433 13.3094 13.3094 14.0112 14.0112 14.0407 14.0407 14.1142 14.1142 k = 0.5000 0.2887 0.1779 ( 4572 PWs) bands (ev): -37.6173 -37.6173 -37.6102 -37.6102 -16.6098 -16.6098 -16.5905 -16.5905 -16.1169 -16.1169 -16.1071 -16.1071 -16.0939 -16.0939 -16.0578 -16.0578 2.6872 2.6872 2.8487 2.8487 5.5724 5.5724 5.6629 5.6629 6.1797 6.1797 6.3042 6.3042 6.5077 6.5077 6.7578 6.7578 7.2768 7.2768 7.3755 7.3755 7.7178 7.7178 7.8113 7.8113 7.9508 7.9508 8.1654 8.1654 10.2570 10.2570 10.4812 10.4812 10.5535 10.5535 11.2783 11.2783 13.0075 13.0075 13.2976 13.2976 14.0025 14.0025 14.0287 14.0287 14.1171 14.1171 k = 0.5000 0.2887 0.1642 ( 4572 PWs) bands (ev): -37.6176 -37.6176 -37.6100 -37.6100 -16.6108 -16.6108 -16.5899 -16.5899 -16.1189 -16.1189 -16.1075 -16.1075 -16.0936 -16.0936 -16.0553 -16.0553 2.6775 2.6775 2.8514 2.8514 5.5755 5.5755 5.6716 5.6716 6.1718 6.1718 6.2994 6.2994 6.5121 6.5121 6.7852 6.7852 7.2740 7.2740 7.3849 7.3849 7.7115 7.7115 7.8033 7.8033 7.9634 7.9634 8.1900 8.1900 10.1916 10.1916 10.4797 10.4797 10.5360 10.5360 11.2512 11.2512 12.9735 12.9735 13.2884 13.2884 13.9912 13.9912 14.0202 14.0202 14.1196 14.1196 k = 0.5000 0.2887 0.1505 ( 4568 PWs) bands (ev): -37.6178 -37.6178 -37.6097 -37.6097 -16.6117 -16.6117 -16.5893 -16.5893 -16.1208 -16.1208 -16.1079 -16.1079 -16.0932 -16.0932 -16.0529 -16.0529 2.6682 2.6682 2.8537 2.8537 5.5789 5.5789 5.6798 5.6798 6.1647 6.1647 6.2941 6.2941 6.5169 6.5169 6.8124 6.8124 7.2713 7.2713 7.3951 7.3951 7.7054 7.7054 7.7947 7.7947 7.9771 7.9771 8.2148 8.2148 10.1225 10.1225 10.4778 10.4778 10.5244 10.5244 11.2189 11.2189 12.9415 12.9415 13.2820 13.2820 13.9786 13.9786 14.0144 14.0144 14.1215 14.1215 k = 0.5000 0.2887 0.1368 ( 4574 PWs) bands (ev): -37.6181 -37.6181 -37.6094 -37.6094 -16.6126 -16.6126 -16.5888 -16.5888 -16.1226 -16.1226 -16.1083 -16.1083 -16.0929 -16.0929 -16.0507 -16.0507 2.6594 2.6594 2.8554 2.8554 5.5825 5.5825 5.6875 5.6875 6.1584 6.1584 6.2885 6.2885 6.5218 6.5218 6.8391 6.8391 7.2688 7.2688 7.4062 7.4062 7.6992 7.6992 7.7856 7.7856 7.9916 7.9916 8.2394 8.2394 10.0525 10.0525 10.4755 10.4755 10.5164 10.5164 11.1828 11.1828 12.9118 12.9118 13.2781 13.2781 13.9657 13.9657 14.0100 14.0100 14.1230 14.1230 k = 0.5000 0.2887 0.1231 ( 4574 PWs) bands (ev): -37.6183 -37.6183 -37.6092 -37.6092 -16.6134 -16.6134 -16.5883 -16.5883 -16.1243 -16.1243 -16.1087 -16.1087 -16.0925 -16.0925 -16.0487 -16.0487 2.6512 2.6512 2.8569 2.8569 5.5863 5.5863 5.6947 5.6947 6.1529 6.1529 6.2828 6.2828 6.5266 6.5266 6.8649 6.8649 7.2664 7.2664 7.4182 7.4182 7.6929 7.6929 7.7764 7.7764 8.0067 8.0067 8.2635 8.2635 9.9837 9.9837 10.4730 10.4730 10.5110 10.5110 11.1444 11.1444 12.8846 12.8846 13.2763 13.2763 13.9534 13.9534 14.0065 14.0065 14.1238 14.1238 k = 0.5000 0.2887 0.1094 ( 4568 PWs) bands (ev): -37.6185 -37.6185 -37.6090 -37.6090 -16.6141 -16.6141 -16.5879 -16.5879 -16.1257 -16.1257 -16.1090 -16.1090 -16.0922 -16.0922 -16.0468 -16.0468 2.6436 2.6436 2.8579 2.8579 5.5901 5.5901 5.7012 5.7012 6.1483 6.1483 6.2772 6.2772 6.5312 6.5312 6.8892 6.8892 7.2641 7.2641 7.4311 7.4311 7.6864 7.6864 7.7672 7.7672 8.0219 8.0219 8.2867 8.2867 9.9176 9.9176 10.4704 10.4704 10.5071 10.5071 11.1052 11.1052 12.8600 12.8600 13.2764 13.2764 13.9420 13.9420 14.0037 14.0037 14.1243 14.1243 k = 0.5000 0.2887 0.0958 ( 4570 PWs) bands (ev): -37.6187 -37.6187 -37.6088 -37.6088 -16.6148 -16.6148 -16.5875 -16.5875 -16.1271 -16.1271 -16.1093 -16.1093 -16.0920 -16.0920 -16.0451 -16.0451 2.6368 2.6368 2.8587 2.8587 5.5937 5.5937 5.7070 5.7070 6.1445 6.1445 6.2717 6.2717 6.5355 6.5355 6.9118 6.9118 7.2620 7.2620 7.4449 7.4449 7.6794 7.6794 7.7583 7.7583 8.0371 8.0371 8.3088 8.3088 9.8556 9.8556 10.4677 10.4677 10.5042 10.5042 11.0666 11.0666 12.8380 12.8380 13.2778 13.2778 13.9318 13.9318 14.0013 14.0013 14.1243 14.1243 k = 0.5000 0.2887 0.0821 ( 4566 PWs) bands (ev): -37.6189 -37.6189 -37.6086 -37.6086 -16.6153 -16.6153 -16.5872 -16.5872 -16.1282 -16.1282 -16.1095 -16.1095 -16.0917 -16.0917 -16.0437 -16.0437 2.6308 2.6308 2.8593 2.8593 5.5971 5.5971 5.7120 5.7120 6.1414 6.1414 6.2666 6.2666 6.5394 6.5394 6.9323 6.9323 7.2601 7.2601 7.4592 7.4592 7.6716 7.6716 7.7501 7.7501 8.0516 8.0516 8.3291 8.3291 9.7988 9.7988 10.4654 10.4654 10.5021 10.5021 11.0300 11.0300 12.8188 12.8188 13.2799 13.2799 13.9227 13.9227 13.9993 13.9993 14.1240 14.1240 k = 0.5000 0.2887 0.0684 ( 4550 PWs) bands (ev): -37.6190 -37.6190 -37.6085 -37.6085 -16.6158 -16.6158 -16.5869 -16.5869 -16.1291 -16.1291 -16.1098 -16.1098 -16.0914 -16.0914 -16.0424 -16.0424 2.6256 2.6256 2.8598 2.8598 5.6002 5.6002 5.7162 5.7162 6.1391 6.1391 6.2620 6.2620 6.5428 6.5428 6.9502 6.9502 7.2584 7.2584 7.4740 7.4740 7.6631 7.6631 7.7429 7.7429 8.0653 8.0653 8.3474 8.3474 9.7484 9.7484 10.4633 10.4633 10.5006 10.5006 10.9967 10.9967 12.8024 12.8024 13.2825 13.2825 13.9149 13.9149 13.9976 13.9976 14.1235 14.1235 k = 0.5000 0.2887 0.0547 ( 4556 PWs) bands (ev): -37.6191 -37.6191 -37.6084 -37.6084 -16.6162 -16.6162 -16.5867 -16.5867 -16.1299 -16.1299 -16.1100 -16.1100 -16.0913 -16.0913 -16.0414 -16.0414 2.6213 2.6213 2.8600 2.8600 5.6028 5.6028 5.7197 5.7197 6.1373 6.1373 6.2580 6.2580 6.5456 6.5456 6.9653 6.9653 7.2569 7.2569 7.4886 7.4886 7.6538 7.6538 7.7369 7.7369 8.0774 8.0774 8.3630 8.3630 9.7054 9.7054 10.4614 10.4614 10.4994 10.4994 10.9678 10.9678 12.7890 12.7890 13.2851 13.2851 13.9085 13.9085 13.9963 13.9963 14.1229 14.1229 k = 0.5000 0.2887 0.0410 ( 4560 PWs) bands (ev): -37.6192 -37.6192 -37.6083 -37.6083 -16.6165 -16.6165 -16.5865 -16.5865 -16.1306 -16.1306 -16.1101 -16.1101 -16.0911 -16.0911 -16.0406 -16.0406 2.6180 2.6180 2.8602 2.8602 5.6050 5.6050 5.7224 5.7224 6.1361 6.1361 6.2548 6.2548 6.5479 6.5479 6.9773 6.9773 7.2557 7.2557 7.5026 7.5026 7.6442 7.6442 7.7322 7.7322 8.0875 8.0875 8.3757 8.3757 9.6708 9.6708 10.4599 10.4599 10.4986 10.4986 10.9443 10.9443 12.7785 12.7785 13.2874 13.2874 13.9035 13.9035 13.9953 13.9953 14.1223 14.1223 k = 0.5000 0.2887 0.0274 ( 4560 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6168 -16.6168 -16.5864 -16.5864 -16.1310 -16.1310 -16.1102 -16.1102 -16.0910 -16.0910 -16.0400 -16.0400 2.6155 2.6155 2.8603 2.8603 5.6066 5.6066 5.7243 5.7243 6.1353 6.1353 6.2524 6.2524 6.5495 6.5495 6.9860 6.9860 7.2548 7.2548 7.5147 7.5147 7.6353 7.6353 7.7288 7.7288 8.0952 8.0952 8.3851 8.3851 9.6454 9.6454 10.4587 10.4587 10.4980 10.4980 10.9269 10.9269 12.7709 12.7709 13.2892 13.2892 13.8999 13.8999 13.9945 13.9945 14.1219 14.1219 k = 0.5000 0.2887 0.0137 ( 4550 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6169 -16.6169 -16.5863 -16.5863 -16.1313 -16.1313 -16.1102 -16.1102 -16.0910 -16.0910 -16.0396 -16.0396 2.6141 2.6141 2.8604 2.8604 5.6075 5.6075 5.7254 5.7254 6.1348 6.1348 6.2509 6.2509 6.5505 6.5505 6.9913 6.9913 7.2542 7.2542 7.5234 7.5234 7.6285 7.6285 7.7269 7.7269 8.1000 8.1000 8.3908 8.3908 9.6299 9.6299 10.4581 10.4581 10.4977 10.4977 10.9162 10.9162 12.7664 12.7664 13.2904 13.2904 13.8977 13.8977 13.9941 13.9941 14.1215 14.1215 k = 0.5000 0.2887-0.0000 ( 4542 PWs) bands (ev): -37.6193 -37.6193 -37.6082 -37.6082 -16.6169 -16.6169 -16.5862 -16.5862 -16.1314 -16.1314 -16.1103 -16.1103 -16.0909 -16.0909 -16.0395 -16.0395 2.6136 2.6136 2.8604 2.8604 5.6079 5.6079 5.7258 5.7258 6.1347 6.1347 6.2504 6.2504 6.5509 6.5509 6.9931 6.9931 7.2541 7.2541 7.5266 7.5266 7.6260 7.6260 7.7262 7.7262 8.1016 8.1016 8.3927 8.3927 9.6246 9.6246 10.4578 10.4578 10.4975 10.4975 10.9126 10.9126 12.7649 12.7649 13.2908 13.2908 13.8970 13.8970 13.9940 13.9940 14.1214 14.1214 k = 0.3333 0.5774-0.0000 ( 4545 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5872 -16.1309 -16.1309 -16.1124 -16.1116 -16.0934 -16.0924 -16.0403 -16.0403 2.8621 2.8621 2.8646 2.8798 5.8166 5.8166 5.9908 6.0572 6.0572 6.2176 6.4317 6.4317 6.5192 6.6959 6.6959 6.8717 7.1392 7.1392 7.3784 7.3784 7.3864 7.5985 7.5985 7.7297 8.1187 8.1187 8.4215 8.5661 8.5661 8.6532 10.2701 10.3891 10.3891 10.6651 10.6651 10.7319 13.1950 13.1950 13.4106 13.4554 13.4554 13.4590 14.1027 14.1259 14.1414 14.1414 k = 0.3333 0.5774 0.0137 ( 4542 PWs) bands (ev): -37.6192 -37.6192 -37.6081 -37.6081 -16.6173 -16.6173 -16.5872 -16.5872 -16.1308 -16.1308 -16.1124 -16.1115 -16.0934 -16.0924 -16.0404 -16.0404 2.8624 2.8624 2.8649 2.8800 5.8167 5.8167 5.9907 6.0570 6.0570 6.2167 6.4305 6.4305 6.5187 6.6955 6.6955 6.8697 7.1388 7.1388 7.3788 7.3788 7.3870 7.5992 7.5992 7.7294 8.1188 8.1188 8.4219 8.5670 8.5670 8.6526 10.2737 10.3881 10.3881 10.6662 10.6662 10.7346 13.1966 13.1966 13.4105 13.4549 13.4549 13.4585 14.1033 14.1263 14.1420 14.1420 k = 0.3333 0.5774 0.0274 ( 4551 PWs) bands (ev): -37.6191 -37.6191 -37.6081 -37.6081 -16.6172 -16.6172 -16.5873 -16.5873 -16.1306 -16.1306 -16.1123 -16.1115 -16.0935 -16.0925 -16.0408 -16.0408 2.8632 2.8632 2.8658 2.8808 5.8172 5.8172 5.9904 6.0563 6.0563 6.2140 6.4268 6.4268 6.5171 6.6941 6.6941 6.8637 7.1378 7.1378 7.3798 7.3798 7.3888 7.6012 7.6012 7.7284 8.1189 8.1189 8.4230 8.5698 8.5698 8.6509 10.2844 10.3848 10.3848 10.6697 10.6697 10.7426 13.2012 13.2012 13.4102 13.4535 13.4535 13.4569 14.1054 14.1275 14.1440 14.1440 k = 0.3333 0.5774 0.0410 ( 4551 PWs) bands (ev): -37.6191 -37.6191 -37.6082 -37.6082 -16.6169 -16.6169 -16.5874 -16.5874 -16.1301 -16.1301 -16.1122 -16.1113 -16.0936 -16.0926 -16.0414 -16.0414 2.8646 2.8646 2.8672 2.8821 5.8181 5.8181 5.9899 6.0551 6.0551 6.2095 6.4207 6.4207 6.5145 6.6919 6.6919 6.8541 7.1362 7.1362 7.3815 7.3815 7.3919 7.6046 7.6046 7.7267 8.1189 8.1189 8.4248 8.5748 8.5748 8.6480 10.3020 10.3782 10.3782 10.6765 10.6765 10.7558 13.2091 13.2091 13.4096 13.4510 13.4510 13.4543 14.1088 14.1295 14.1472 14.1472 k = 0.3333 0.5774 0.0547 ( 4542 PWs) bands (ev): -37.6190 -37.6190 -37.6083 -37.6083 -16.6166 -16.6166 -16.5876 -16.5876 -16.1294 -16.1294 -16.1121 -16.1112 -16.0937 -16.0927 -16.0422 -16.0422 2.8665 2.8665 2.8692 2.8838 5.8193 5.8193 5.9893 6.0533 6.0533 6.2033 6.4126 6.4126 6.5111 6.6889 6.6889 6.8409 7.1339 7.1339 7.3836 7.3836 7.3961 7.6093 7.6093 7.7244 8.1184 8.1184 8.4273 8.5822 8.5822 8.6442 10.3263 10.3671 10.3671 10.6878 10.6878 10.7739 13.2200 13.2200 13.4087 13.4476 13.4476 13.4506 14.1136 14.1324 14.1519 14.1519 k = 0.3333 0.5774 0.0684 ( 4542 PWs) bands (ev): -37.6189 -37.6189 -37.6084 -37.6084 -16.6162 -16.6162 -16.5878 -16.5878 -16.1286 -16.1286 -16.1119 -16.1110 -16.0939 -16.0929 -16.0432 -16.0432 2.8689 2.8689 2.8718 2.8861 5.8208 5.8208 5.9884 6.0510 6.0510 6.1954 6.4025 6.4025 6.5070 6.6853 6.6853 6.8246 7.1311 7.1311 7.3861 7.3861 7.4014 7.6154 7.6154 7.7214 8.1171 8.1171 8.4303 8.5926 8.5926 8.6395 10.3503 10.3503 10.3567 10.7045 10.7045 10.7964 13.2340 13.2340 13.4074 13.4430 13.4430 13.4458 14.1199 14.1363 14.1580 14.1580 k = 0.3333 0.5774 0.0821 ( 4548 PWs) bands (ev): -37.6187 -37.6187 -37.6085 -37.6085 -16.6157 -16.6157 -16.5881 -16.5881 -16.1276 -16.1276 -16.1116 -16.1108 -16.0941 -16.0931 -16.0445 -16.0445 2.8717 2.8717 2.8748 2.8887 5.8226 5.8226 5.9874 6.0480 6.0480 6.1859 6.3910 6.3910 6.5025 6.6811 6.6811 6.8057 7.1278 7.1278 7.3888 7.3888 7.4076 7.6229 7.6229 7.7178 8.1147 8.1147 8.4338 8.6062 8.6062 8.6339 10.3273 10.3273 10.3929 10.7270 10.7270 10.8228 13.2510 13.2510 13.4056 13.4375 13.4375 13.4400 14.1277 14.1413 14.1657 14.1657 k = 0.3333 0.5774 0.0958 ( 4548 PWs) bands (ev): -37.6186 -37.6186 -37.6087 -37.6087 -16.6151 -16.6151 -16.5884 -16.5884 -16.1264 -16.1264 -16.1114 -16.1105 -16.0944 -16.0934 -16.0460 -16.0460 2.8749 2.8749 2.8782 2.8916 5.8246 5.8246 5.9861 6.0443 6.0443 6.1749 6.3783 6.3783 6.4976 6.6765 6.6765 6.7847 7.1241 7.1241 7.3915 7.3915 7.4148 7.6316 7.6316 7.7136 8.1108 8.1108 8.4376 8.6235 8.6235 8.6277 10.2981 10.2981 10.4343 10.7550 10.7550 10.8526 13.2709 13.2709 13.4033 13.4308 13.4308 13.4331 14.1371 14.1476 14.1750 14.1750 k = 0.3333 0.5774 0.1094 ( 4539 PWs) bands (ev): -37.6184 -37.6184 -37.6089 -37.6089 -16.6145 -16.6145 -16.5888 -16.5888 -16.1251 -16.1251 -16.1111 -16.1102 -16.0947 -16.0937 -16.0476 -16.0476 2.8785 2.8785 2.8820 2.8949 5.8268 5.8269 5.9847 6.0399 6.0399 6.1626 6.3650 6.3650 6.4927 6.6716 6.6716 6.7619 7.1201 7.1201 7.3942 7.3942 7.4227 7.6416 7.6416 7.7088 8.1053 8.1053 8.4418 8.6210 8.6446 8.6446 10.2628 10.2628 10.4802 10.7880 10.7880 10.8852 13.2938 13.2938 13.4003 13.4231 13.4231 13.4253 14.1481 14.1554 14.1860 14.1860 k = 0.3333 0.5774 0.1231 ( 4533 PWs) bands (ev): -37.6182 -37.6182 -37.6091 -37.6091 -16.6138 -16.6138 -16.5891 -16.5891 -16.1236 -16.1236 -16.1107 -16.1098 -16.0951 -16.0941 -16.0494 -16.0494 2.8823 2.8823 2.8861 2.8985 5.8293 5.8293 5.9830 6.0347 6.0347 6.1491 6.3514 6.3514 6.4879 6.6664 6.6664 6.7381 7.1159 7.1159 7.3968 7.3968 7.4313 7.6527 7.6527 7.7035 8.0980 8.0980 8.4461 8.6139 8.6699 8.6699 10.2222 10.2222 10.5298 10.8251 10.8251 10.9198 13.3193 13.3193 13.3966 13.4145 13.4145 13.4165 14.1608 14.1646 14.1987 14.1987 k = 0.3333 0.5774 0.1368 ( 4518 PWs) bands (ev): -37.6179 -37.6179 -37.6093 -37.6093 -16.6130 -16.6130 -16.5896 -16.5896 -16.1219 -16.1219 -16.1103 -16.1094 -16.0954 -16.0944 -16.0514 -16.0514 2.8864 2.8864 2.8905 2.9022 5.8318 5.8318 5.9812 6.0287 6.0287 6.1348 6.3380 6.3380 6.4832 6.6611 6.6611 6.7136 7.1117 7.1117 7.3992 7.3992 7.4405 7.6647 7.6647 7.6976 8.0890 8.0890 8.4506 8.6065 8.6991 8.6991 10.1769 10.1769 10.5825 10.8653 10.8653 10.9557 13.3475 13.3475 13.3921 13.4052 13.4052 13.4069 14.1749 14.1753 14.2130 14.2130 k = 0.3333 0.5774 0.1505 ( 4530 PWs) bands (ev): -37.6177 -37.6177 -37.6096 -37.6096 -16.6122 -16.6122 -16.5901 -16.5901 -16.1200 -16.1200 -16.1099 -16.1091 -16.0958 -16.0949 -16.0537 -16.0537 2.8906 2.8906 2.8950 2.9061 5.8345 5.8345 5.9793 6.0218 6.0218 6.1197 6.3250 6.3250 6.4789 6.6556 6.6556 6.6890 7.1074 7.1074 7.4014 7.4014 7.4501 7.6776 7.6776 7.6911 8.0784 8.0784 8.4552 8.5989 8.7323 8.7323 10.1274 10.1274 10.6375 10.9075 10.9075 10.9920 13.3765 13.3765 13.3868 13.3966 13.3966 13.3967 14.1877 14.1904 14.2288 14.2288 k = 0.3333 0.5774 0.1642 ( 4536 PWs) bands (ev): -37.6174 -37.6174 -37.6098 -37.6098 -16.6113 -16.6113 -16.5907 -16.5907 -16.1181 -16.1181 -16.1095 -16.1086 -16.0963 -16.0953 -16.0561 -16.0561 2.8948 2.8948 2.8996 2.9099 5.8371 5.8371 5.9772 6.0143 6.0143 6.1043 6.3129 6.3129 6.4751 6.6501 6.6501 6.6647 7.1033 7.1033 7.4034 7.4034 7.4602 7.6841 7.6913 7.6913 8.0664 8.0664 8.4599 8.5913 8.7692 8.7692 10.0745 10.0745 10.6939 10.9510 10.9510 11.0279 13.3807 13.3809 13.3809 13.3860 13.4145 13.4145 14.2015 14.2072 14.2460 14.2460 k = 0.3333 0.5774 0.1779 ( 4536 PWs) bands (ev): -37.6171 -37.6171 -37.6101 -37.6101 -16.6104 -16.6104 -16.5913 -16.5913 -16.1159 -16.1159 -16.1090 -16.1082 -16.0967 -16.0958 -16.0586 -16.0586 2.8991 2.8991 2.9042 2.9138 5.8398 5.8398 5.9751 6.0062 6.0062 6.0888 6.3019 6.3019 6.4718 6.6410 6.6448 6.6448 7.0993 7.0993 7.4052 7.4052 7.4707 7.6767 7.7055 7.7055 8.0532 8.0532 8.4647 8.5836 8.8096 8.8096 10.0186 10.0186 10.7510 10.9947 10.9947 11.0627 13.3702 13.3702 13.3739 13.3750 13.4496 13.4496 14.2168 14.2251 14.2642 14.2642 k = 0.3333 0.5774 0.1915 ( 4542 PWs) bands (ev): -37.6168 -37.6168 -37.6104 -37.6104 -16.6094 -16.6094 -16.5920 -16.5920 -16.1137 -16.1137 -16.1086 -16.1077 -16.0972 -16.0963 -16.0613 -16.0613 2.9033 2.9033 2.9088 2.9175 5.8423 5.8423 5.9730 5.9977 5.9977 6.0735 6.2920 6.2920 6.4691 6.6183 6.6395 6.6395 7.0956 7.0956 7.4068 7.4068 7.4814 7.6688 7.7202 7.7202 8.0390 8.0390 8.4695 8.5760 8.8532 8.8532 9.9604 9.9604 10.8079 11.0377 11.0377 11.0955 13.3585 13.3585 13.3641 13.3666 13.4875 13.4875 14.2333 14.2438 14.2826 14.2826 k = 0.3333 0.5774 0.2052 ( 4554 PWs) bands (ev): -37.6165 -37.6165 -37.6107 -37.6107 -16.6085 -16.6085 -16.5927 -16.5927 -16.1113 -16.1113 -16.1080 -16.1072 -16.0978 -16.0968 -16.0640 -16.0640 2.9072 2.9072 2.9132 2.9210 5.8447 5.8447 5.9710 5.9891 5.9891 6.0585 6.2834 6.2834 6.4671 6.5969 6.6345 6.6345 7.0921 7.0921 7.4082 7.4082 7.4923 7.6604 7.7352 7.7352 8.0241 8.0241 8.4743 8.5686 8.8997 8.8997 9.9003 9.9003 10.8637 11.0790 11.0790 11.1254 13.3467 13.3467 13.3535 13.3588 13.5277 13.5277 14.2508 14.2628 14.2928 14.2932 k = 0.3333 0.5774 0.2189 ( 4557 PWs) bands (ev): -37.6162 -37.6162 -37.6111 -37.6111 -16.6075 -16.6075 -16.5934 -16.5934 -16.1088 -16.1088 -16.1075 -16.1067 -16.0983 -16.0974 -16.0669 -16.0669 2.9110 2.9110 2.9174 2.9243 5.8469 5.8469 5.9693 5.9807 5.9807 6.0443 6.2760 6.2760 6.4659 6.5770 6.6298 6.6298 7.0890 7.0890 7.4094 7.4094 7.5034 7.6517 7.7504 7.7504 8.0088 8.0088 8.4792 8.5613 8.9487 8.9487 9.8388 9.8388 10.9178 11.1179 11.1179 11.1516 13.3353 13.3353 13.3435 13.3508 13.5700 13.5700 14.2581 14.2581 14.2689 14.2818 k = 0.3333 0.5774 0.2326 ( 4551 PWs) bands (ev): -37.6158 -37.6158 -37.6114 -37.6114 -16.6064 -16.6064 -16.5942 -16.5942 -16.1070 -16.1061 -16.1061 -16.1061 -16.0988 -16.0979 -16.0698 -16.0698 2.9144 2.9144 2.9212 2.9272 5.8488 5.8488 5.9680 5.9727 5.9727 6.0309 6.2699 6.2699 6.4655 6.5588 6.6256 6.6256 7.0863 7.0863 7.4104 7.4104 7.5146 7.6426 7.7656 7.7656 7.9932 7.9932 8.4842 8.5542 8.9999 8.9999 9.7766 9.7766 10.9692 11.1536 11.1536 11.1736 13.3244 13.3244 13.3344 13.3429 13.6140 13.6140 14.2122 14.2122 14.2871 14.3003 k = 0.3333 0.5774 0.2463 ( 4557 PWs) bands (ev): -37.6155 -37.6155 -37.6118 -37.6118 -16.6054 -16.6054 -16.5950 -16.5950 -16.1064 -16.1056 -16.1034 -16.1034 -16.0993 -16.0984 -16.0728 -16.0728 2.9174 2.9174 2.9247 2.9297 5.8505 5.8505 5.9655 5.9655 5.9672 6.0186 6.2649 6.2649 6.4660 6.5422 6.6218 6.6218 7.0840 7.0840 7.4113 7.4113 7.5258 7.6331 7.7808 7.7808 7.9777 7.9777 8.4892 8.5473 9.0527 9.0527 9.7142 9.7142 11.0172 11.1853 11.1853 11.1904 13.3145 13.3145 13.3264 13.3351 13.6596 13.6596 14.1641 14.1641 14.3048 14.3175 k = 0.3333 0.5774 0.2599 ( 4569 PWs) bands (ev): -37.6151 -37.6151 -37.6121 -37.6121 -16.6044 -16.6044 -16.5959 -16.5959 -16.1059 -16.1052 -16.1005 -16.1005 -16.0998 -16.0990 -16.0760 -16.0760 2.9199 2.9199 2.9277 2.9318 5.8518 5.8518 5.9592 5.9592 5.9672 6.0075 6.2609 6.2609 6.4676 6.5275 6.6186 6.6186 7.0821 7.0821 7.4120 7.4120 7.5371 7.6233 7.7954 7.7954 7.9625 7.9625 8.4943 8.5406 9.1065 9.1065 9.6525 9.6525 11.0610 11.2016 11.2122 11.2122 13.3059 13.3059 13.3198 13.3280 13.7065 13.7065 14.1149 14.1149 14.3214 14.3328 k = 0.3333 0.5774 0.2736 ( 4569 PWs) bands (ev): -37.6148 -37.6148 -37.6125 -37.6125 -16.6034 -16.6034 -16.5967 -16.5967 -16.1054 -16.1047 -16.1002 -16.0995 -16.0976 -16.0976 -16.0790 -16.0790 2.9220 2.9220 2.9303 2.9333 5.8528 5.8528 5.9542 5.9542 5.9679 5.9978 6.2579 6.2579 6.4702 6.5145 6.6160 6.6160 7.0806 7.0806 7.4126 7.4126 7.5483 7.6132 7.8092 7.8092 7.9484 7.9484 8.4995 8.5341 9.1600 9.1600 9.5927 9.5927 11.1000 11.2066 11.2338 11.2338 13.2989 13.2989 13.3148 13.3217 13.7545 13.7545 14.0649 14.0649 14.3360 14.3453 k = 0.3333 0.5774 0.2873 ( 4566 PWs) bands (ev): -37.6144 -37.6144 -37.6129 -37.6129 -16.6025 -16.6025 -16.5975 -16.5975 -16.1049 -16.1044 -16.1006 -16.1000 -16.0947 -16.0947 -16.0821 -16.0821 2.9235 2.9235 2.9322 2.9343 5.8535 5.8535 5.9505 5.9505 5.9697 5.9894 6.2559 6.2559 6.4740 6.5032 6.6142 6.6142 7.0795 7.0795 7.4129 7.4129 7.5595 7.6029 7.8212 7.8212 7.9361 7.9361 8.5049 8.5279 9.2108 9.2108 9.5374 9.5374 11.1336 11.2053 11.2497 11.2497 13.2936 13.2936 13.3116 13.3166 13.8028 13.8028 14.0151 14.0151 14.3478 14.3545 k = 0.3333 0.5774 0.3010 ( 4560 PWs) bands (ev): -37.6140 -37.6140 -37.6132 -37.6132 -16.6017 -16.6017 -16.5982 -16.5982 -16.1045 -16.1042 -16.1007 -16.1004 -16.0917 -16.0917 -16.0852 -16.0852 2.9244 2.9244 2.9337 2.9347 5.8540 5.8540 5.9482 5.9482 5.9727 5.9824 6.2547 6.2547 6.4791 6.4936 6.6130 6.6130 7.0789 7.0789 7.4132 7.4132 7.5706 7.5923 7.8299 7.8299 7.9272 7.9272 8.5104 8.5219 9.2525 9.2525 9.4929 9.4929 11.1612 11.1972 11.2593 11.2593 13.2904 13.2904 13.3102 13.3128 13.8497 13.8497 13.9673 13.9673 14.3560 14.3595 k = 0.3333 0.5774 0.3147 ( 4566 PWs) bands (ev): -37.6137 -37.6137 -37.6136 -37.6136 -16.6013 -16.6013 -16.5986 -16.5986 -16.1043 -16.1043 -16.1007 -16.1007 -16.0893 -16.0893 -16.0876 -16.0876 2.9247 2.9247 2.9345 2.9345 5.8541 5.8541 5.9475 5.9475 5.9769 5.9769 6.2543 6.2543 6.4856 6.4856 6.6126 6.6126 7.0787 7.0787 7.4132 7.4132 7.5815 7.5815 7.8332 7.8332 7.9238 7.9238 8.5160 8.5160 9.2704 9.2704 9.4741 9.4741 11.1825 11.1825 11.2625 11.2625 13.2893 13.2893 13.3107 13.3107 13.8794 13.8794 13.9373 13.9373 14.3600 14.3600 Writing output data file ScGeAu.save init_run : 4.66s CPU 13.98s WALL ( 1 calls) electrons : 2018.32s CPU 2032.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 2018.29s CPU 2032.10s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.92s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.17s CPU 0.56s WALL ( 1 calls) newd : 0.66s CPU 0.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 312 calls) cegterg : 1946.57s CPU 1957.93s WALL ( 1596 calls) Called by sum_band: Called by *egterg: h_psi : 692.93s CPU 711.27s WALL ( 32303 calls) s_psi : 84.76s CPU 86.06s WALL ( 32303 calls) g_psi : 1.76s CPU 1.76s WALL ( 30395 calls) cdiaghg : 881.64s CPU 874.91s WALL ( 30707 calls) cegterg:over : 150.86s CPU 144.25s WALL ( 30395 calls) cegterg:upda : 38.13s CPU 46.80s WALL ( 30395 calls) cegterg:last : 27.07s CPU 28.36s WALL ( 3618 calls) Called by h_psi: h_psi:vloc : 526.53s CPU 542.42s WALL ( 32303 calls) h_psi:vnl : 165.66s CPU 166.86s WALL ( 32303 calls) add_vuspsi : 59.12s CPU 69.18s WALL ( 32303 calls) General routines calbec : 106.41s CPU 97.43s WALL ( 32303 calls) fft : 0.22s CPU 1.28s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 497.60s CPU 508.95s WALL ( 2658880 calls) interpolate : 0.07s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 2.01s WALL ( 624 calls) Parallel routines fft_scatter : 300.62s CPU 304.58s WALL ( 2658903 calls) PWSCF : 34m58.55s CPU 37m59.52s WALL This run was terminated on: 6:44:39 20Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=