Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:35:39 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Ca2Ge.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 38 10 2703 1470 222 Max 58 39 11 2710 1500 231 Sum 2053 1369 385 97343 53555 8155 bravais-lattice index = 14 lattice parameter (alat) = 10.4067 a.u. unit-cell volume = 1270.9750 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.406721 celldm(2)= 1.000000 celldm(3)= 1.302161 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 1.302161 ) 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 0.767954 ) PseudoPot. # 1 for Ge read from file: /users/gautes/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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 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 ) ( -0.6510804 ) 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 ) ( -0.6510804 ) 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 ) ( -0.6510804 ) 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 ) ( -0.6510804 ) 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 ) ( -0.6510804 ) 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 ) ( -0.6510804 ) 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 2C6 -2C6 2C3 -2C3 C2 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 G_8 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 G_9 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 3 4 60 deg rotation - cryst. axis [0,0,1] -2C6 -3 -4 60 deg rotation - cryst. axis [0,0,1] E 2C3 5 6 120 deg rotation - cryst. axis [0,0,1] -2C3 -5 -6 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 7 -7 9 10 -10 -9 inv. 180 deg rotation - cart. axis [0,1,0] 3s_d-3s_d 8 -8 12 -11 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 259 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 2) = ( 0.0151515 0.0087477 -0.0000000), wk = 0.0038610 k( 3) = ( 0.0303030 0.0174955 -0.0000000), wk = 0.0038610 k( 4) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0038610 k( 5) = ( 0.0606061 0.0349909 -0.0000000), wk = 0.0038610 k( 6) = ( 0.0757576 0.0437387 -0.0000000), wk = 0.0038610 k( 7) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0038610 k( 8) = ( 0.1060606 0.0612341 -0.0000000), wk = 0.0038610 k( 9) = ( 0.1212121 0.0699819 -0.0000000), wk = 0.0038610 k( 10) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0038610 k( 11) = ( 0.1515151 0.0874773 -0.0000000), wk = 0.0038610 k( 12) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0038610 k( 13) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0038610 k( 14) = ( 0.1969697 0.1137205 -0.0000000), wk = 0.0038610 k( 15) = ( 0.2121212 0.1224682 -0.0000000), wk = 0.0038610 k( 16) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0038610 k( 17) = ( 0.2424242 0.1399637 -0.0000000), wk = 0.0038610 k( 18) = ( 0.2575758 0.1487114 -0.0000000), wk = 0.0038610 k( 19) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0038610 k( 20) = ( 0.2878788 0.1662069 -0.0000000), wk = 0.0038610 k( 21) = ( 0.3030303 0.1749546 -0.0000000), wk = 0.0038610 k( 22) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0038610 k( 23) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0038610 k( 24) = ( 0.3484849 0.2011978 -0.0000000), wk = 0.0038610 k( 25) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0038610 k( 26) = ( 0.3787879 0.2186933 -0.0000000), wk = 0.0038610 k( 27) = ( 0.3939394 0.2274410 -0.0000000), wk = 0.0038610 k( 28) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0038610 k( 29) = ( 0.4242424 0.2449365 -0.0000000), wk = 0.0038610 k( 30) = ( 0.4393939 0.2536842 -0.0000000), wk = 0.0038610 k( 31) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0038610 k( 32) = ( 0.4696970 0.2711797 -0.0000000), wk = 0.0038610 k( 33) = ( 0.4848485 0.2799274 -0.0000000), wk = 0.0038610 k( 34) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038610 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038610 k( 36) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0038610 k( 37) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0038610 k( 38) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0038610 k( 39) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0038610 k( 40) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0038610 k( 41) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0038610 k( 42) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0038610 k( 43) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0038610 k( 44) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0038610 k( 45) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0038610 k( 46) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0038610 k( 47) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0038610 k( 48) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0038610 k( 49) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0038610 k( 50) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0038610 k( 51) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0038610 k( 52) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0038610 k( 53) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0038610 k( 54) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0038610 k( 55) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038610 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038610 k( 57) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0038610 k( 58) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0038610 k( 59) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0038610 k( 60) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0038610 k( 61) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0038610 k( 62) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0038610 k( 63) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0038610 k( 64) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0038610 k( 65) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0038610 k( 66) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0038610 k( 67) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0038610 k( 68) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0038610 k( 69) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0038610 k( 70) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0038610 k( 71) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0038610 k( 72) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0038610 k( 73) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0038610 k( 74) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0038610 k( 75) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0038610 k( 76) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0038610 k( 77) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0038610 k( 78) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0038610 k( 79) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0038610 k( 80) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0038610 k( 81) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0038610 k( 82) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0038610 k( 83) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0038610 k( 84) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0038610 k( 85) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0038610 k( 86) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0038610 k( 87) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0038610 k( 88) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0038610 k( 89) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0038610 k( 90) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0038610 k( 91) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0038610 k( 92) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0038610 k( 93) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0038610 k( 94) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0038610 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 97) = ( 0.0000000 0.0000000 0.0174535), wk = 0.0038610 k( 98) = ( 0.0000000 0.0000000 0.0349070), wk = 0.0038610 k( 99) = ( 0.0000000 0.0000000 0.0523605), wk = 0.0038610 k( 100) = ( 0.0000000 0.0000000 0.0698140), wk = 0.0038610 k( 101) = ( 0.0000000 0.0000000 0.0872675), wk = 0.0038610 k( 102) = ( 0.0000000 0.0000000 0.1047210), wk = 0.0038610 k( 103) = ( 0.0000000 0.0000000 0.1221745), wk = 0.0038610 k( 104) = ( 0.0000000 0.0000000 0.1396280), wk = 0.0038610 k( 105) = ( 0.0000000 0.0000000 0.1570815), wk = 0.0038610 k( 106) = ( 0.0000000 0.0000000 0.1745351), wk = 0.0038610 k( 107) = ( 0.0000000 0.0000000 0.1919886), wk = 0.0038610 k( 108) = ( 0.0000000 0.0000000 0.2094421), wk = 0.0038610 k( 109) = ( 0.0000000 0.0000000 0.2268956), wk = 0.0038610 k( 110) = ( 0.0000000 0.0000000 0.2443491), wk = 0.0038610 k( 111) = ( 0.0000000 0.0000000 0.2618026), wk = 0.0038610 k( 112) = ( 0.0000000 0.0000000 0.2792561), wk = 0.0038610 k( 113) = ( 0.0000000 0.0000000 0.2967096), wk = 0.0038610 k( 114) = ( 0.0000000 0.0000000 0.3141631), wk = 0.0038610 k( 115) = ( 0.0000000 0.0000000 0.3316166), wk = 0.0038610 k( 116) = ( 0.0000000 0.0000000 0.3490701), wk = 0.0038610 k( 117) = ( 0.0000000 0.0000000 0.3665236), wk = 0.0038610 k( 118) = ( 0.0000000 0.0000000 0.3839771), wk = 0.0038610 k( 119) = ( 0.0000000 0.0000000 0.3839771), wk = 0.0038610 k( 120) = ( 0.0151515 0.0087477 0.3839771), wk = 0.0038610 k( 121) = ( 0.0303030 0.0174955 0.3839771), wk = 0.0038610 k( 122) = ( 0.0454546 0.0262432 0.3839771), wk = 0.0038610 k( 123) = ( 0.0606061 0.0349909 0.3839771), wk = 0.0038610 k( 124) = ( 0.0757576 0.0437387 0.3839771), wk = 0.0038610 k( 125) = ( 0.0909091 0.0524864 0.3839771), wk = 0.0038610 k( 126) = ( 0.1060606 0.0612341 0.3839771), wk = 0.0038610 k( 127) = ( 0.1212121 0.0699819 0.3839771), wk = 0.0038610 k( 128) = ( 0.1363636 0.0787296 0.3839771), wk = 0.0038610 k( 129) = ( 0.1515151 0.0874773 0.3839771), wk = 0.0038610 k( 130) = ( 0.1666667 0.0962250 0.3839771), wk = 0.0038610 k( 131) = ( 0.1818182 0.1049728 0.3839771), wk = 0.0038610 k( 132) = ( 0.1969697 0.1137205 0.3839771), wk = 0.0038610 k( 133) = ( 0.2121212 0.1224682 0.3839771), wk = 0.0038610 k( 134) = ( 0.2272727 0.1312160 0.3839771), wk = 0.0038610 k( 135) = ( 0.2424242 0.1399637 0.3839771), wk = 0.0038610 k( 136) = ( 0.2575758 0.1487114 0.3839771), wk = 0.0038610 k( 137) = ( 0.2727273 0.1574592 0.3839771), wk = 0.0038610 k( 138) = ( 0.2878788 0.1662069 0.3839771), wk = 0.0038610 k( 139) = ( 0.3030303 0.1749546 0.3839771), wk = 0.0038610 k( 140) = ( 0.3181818 0.1837024 0.3839771), wk = 0.0038610 k( 141) = ( 0.3333333 0.1924501 0.3839771), wk = 0.0038610 k( 142) = ( 0.3484849 0.2011978 0.3839771), wk = 0.0038610 k( 143) = ( 0.3636364 0.2099456 0.3839771), wk = 0.0038610 k( 144) = ( 0.3787879 0.2186933 0.3839771), wk = 0.0038610 k( 145) = ( 0.3939394 0.2274410 0.3839771), wk = 0.0038610 k( 146) = ( 0.4090909 0.2361887 0.3839771), wk = 0.0038610 k( 147) = ( 0.4242424 0.2449365 0.3839771), wk = 0.0038610 k( 148) = ( 0.4393939 0.2536842 0.3839771), wk = 0.0038610 k( 149) = ( 0.4545455 0.2624319 0.3839771), wk = 0.0038610 k( 150) = ( 0.4696970 0.2711797 0.3839771), wk = 0.0038610 k( 151) = ( 0.4848485 0.2799274 0.3839771), wk = 0.0038610 k( 152) = ( 0.5000000 0.2886751 0.3839771), wk = 0.0038610 k( 153) = ( 0.5000000 0.2886751 0.3839771), wk = 0.0038610 k( 154) = ( 0.4916667 0.3031089 0.3839771), wk = 0.0038610 k( 155) = ( 0.4833333 0.3175426 0.3839771), wk = 0.0038610 k( 156) = ( 0.4750000 0.3319764 0.3839771), wk = 0.0038610 k( 157) = ( 0.4666667 0.3464102 0.3839771), wk = 0.0038610 k( 158) = ( 0.4583333 0.3608439 0.3839771), wk = 0.0038610 k( 159) = ( 0.4500000 0.3752777 0.3839771), wk = 0.0038610 k( 160) = ( 0.4416667 0.3897114 0.3839771), wk = 0.0038610 k( 161) = ( 0.4333333 0.4041452 0.3839771), wk = 0.0038610 k( 162) = ( 0.4250000 0.4185789 0.3839771), wk = 0.0038610 k( 163) = ( 0.4166667 0.4330127 0.3839771), wk = 0.0038610 k( 164) = ( 0.4083333 0.4474465 0.3839771), wk = 0.0038610 k( 165) = ( 0.4000000 0.4618802 0.3839771), wk = 0.0038610 k( 166) = ( 0.3916667 0.4763140 0.3839771), wk = 0.0038610 k( 167) = ( 0.3833333 0.4907477 0.3839771), wk = 0.0038610 k( 168) = ( 0.3750000 0.5051815 0.3839771), wk = 0.0038610 k( 169) = ( 0.3666667 0.5196152 0.3839771), wk = 0.0038610 k( 170) = ( 0.3583333 0.5340490 0.3839771), wk = 0.0038610 k( 171) = ( 0.3500000 0.5484828 0.3839771), wk = 0.0038610 k( 172) = ( 0.3416667 0.5629165 0.3839771), wk = 0.0038610 k( 173) = ( 0.3333333 0.5773503 0.3839771), wk = 0.0038610 k( 174) = ( 0.3333333 0.5773503 0.3839771), wk = 0.0038610 k( 175) = ( 0.3247863 0.5625464 0.3839771), wk = 0.0038610 k( 176) = ( 0.3162393 0.5477426 0.3839771), wk = 0.0038610 k( 177) = ( 0.3076923 0.5329387 0.3839771), wk = 0.0038610 k( 178) = ( 0.2991453 0.5181349 0.3839771), wk = 0.0038610 k( 179) = ( 0.2905983 0.5033310 0.3839771), wk = 0.0038610 k( 180) = ( 0.2820513 0.4885271 0.3839771), wk = 0.0038610 k( 181) = ( 0.2735043 0.4737233 0.3839771), wk = 0.0038610 k( 182) = ( 0.2649573 0.4589194 0.3839771), wk = 0.0038610 k( 183) = ( 0.2564103 0.4441156 0.3839771), wk = 0.0038610 k( 184) = ( 0.2478633 0.4293117 0.3839771), wk = 0.0038610 k( 185) = ( 0.2393162 0.4145079 0.3839771), wk = 0.0038610 k( 186) = ( 0.2307692 0.3997040 0.3839771), wk = 0.0038610 k( 187) = ( 0.2222222 0.3849002 0.3839771), wk = 0.0038610 k( 188) = ( 0.2136752 0.3700963 0.3839771), wk = 0.0038610 k( 189) = ( 0.2051282 0.3552925 0.3839771), wk = 0.0038610 k( 190) = ( 0.1965812 0.3404886 0.3839771), wk = 0.0038610 k( 191) = ( 0.1880342 0.3256848 0.3839771), wk = 0.0038610 k( 192) = ( 0.1794872 0.3108809 0.3839771), wk = 0.0038610 k( 193) = ( 0.1709402 0.2960771 0.3839771), wk = 0.0038610 k( 194) = ( 0.1623932 0.2812732 0.3839771), wk = 0.0038610 k( 195) = ( 0.1538461 0.2664693 0.3839771), wk = 0.0038610 k( 196) = ( 0.1452991 0.2516655 0.3839771), wk = 0.0038610 k( 197) = ( 0.1367521 0.2368617 0.3839771), wk = 0.0038610 k( 198) = ( 0.1282051 0.2220578 0.3839771), wk = 0.0038610 k( 199) = ( 0.1196581 0.2072539 0.3839771), wk = 0.0038610 k( 200) = ( 0.1111111 0.1924501 0.3839771), wk = 0.0038610 k( 201) = ( 0.1025641 0.1776462 0.3839771), wk = 0.0038610 k( 202) = ( 0.0940171 0.1628424 0.3839771), wk = 0.0038610 k( 203) = ( 0.0854701 0.1480385 0.3839771), wk = 0.0038610 k( 204) = ( 0.0769231 0.1332347 0.3839771), wk = 0.0038610 k( 205) = ( 0.0683761 0.1184308 0.3839771), wk = 0.0038610 k( 206) = ( 0.0598291 0.1036270 0.3839771), wk = 0.0038610 k( 207) = ( 0.0512821 0.0888231 0.3839771), wk = 0.0038610 k( 208) = ( 0.0427350 0.0740193 0.3839771), wk = 0.0038610 k( 209) = ( 0.0341880 0.0592154 0.3839771), wk = 0.0038610 k( 210) = ( 0.0256410 0.0444116 0.3839771), wk = 0.0038610 k( 211) = ( 0.0170940 0.0296077 0.3839771), wk = 0.0038610 k( 212) = ( 0.0085470 0.0148039 0.3839771), wk = 0.0038610 k( 213) = ( 0.0000000 0.0000000 0.3839771), wk = 0.0038610 k( 214) = ( 0.5000000 0.2886751 0.3839771), wk = 0.0038610 k( 215) = ( 0.5000000 0.2886751 0.3665236), wk = 0.0038610 k( 216) = ( 0.5000000 0.2886751 0.3490701), wk = 0.0038610 k( 217) = ( 0.5000000 0.2886751 0.3316166), wk = 0.0038610 k( 218) = ( 0.5000000 0.2886751 0.3141631), wk = 0.0038610 k( 219) = ( 0.5000000 0.2886751 0.2967096), wk = 0.0038610 k( 220) = ( 0.5000000 0.2886751 0.2792561), wk = 0.0038610 k( 221) = ( 0.5000000 0.2886751 0.2618026), wk = 0.0038610 k( 222) = ( 0.5000000 0.2886751 0.2443491), wk = 0.0038610 k( 223) = ( 0.5000000 0.2886751 0.2268956), wk = 0.0038610 k( 224) = ( 0.5000000 0.2886751 0.2094421), wk = 0.0038610 k( 225) = ( 0.5000000 0.2886751 0.1919886), wk = 0.0038610 k( 226) = ( 0.5000000 0.2886751 0.1745351), wk = 0.0038610 k( 227) = ( 0.5000000 0.2886751 0.1570815), wk = 0.0038610 k( 228) = ( 0.5000000 0.2886751 0.1396280), wk = 0.0038610 k( 229) = ( 0.5000000 0.2886751 0.1221745), wk = 0.0038610 k( 230) = ( 0.5000000 0.2886751 0.1047210), wk = 0.0038610 k( 231) = ( 0.5000000 0.2886751 0.0872675), wk = 0.0038610 k( 232) = ( 0.5000000 0.2886751 0.0698140), wk = 0.0038610 k( 233) = ( 0.5000000 0.2886751 0.0523605), wk = 0.0038610 k( 234) = ( 0.5000000 0.2886751 0.0349070), wk = 0.0038610 k( 235) = ( 0.5000000 0.2886751 0.0174535), wk = 0.0038610 k( 236) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038610 k( 237) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038610 k( 238) = ( 0.3333333 0.5773503 0.0174535), wk = 0.0038610 k( 239) = ( 0.3333333 0.5773503 0.0349070), wk = 0.0038610 k( 240) = ( 0.3333333 0.5773503 0.0523605), wk = 0.0038610 k( 241) = ( 0.3333333 0.5773503 0.0698140), wk = 0.0038610 k( 242) = ( 0.3333333 0.5773503 0.0872675), wk = 0.0038610 k( 243) = ( 0.3333333 0.5773503 0.1047210), wk = 0.0038610 k( 244) = ( 0.3333333 0.5773503 0.1221745), wk = 0.0038610 k( 245) = ( 0.3333333 0.5773503 0.1396280), wk = 0.0038610 k( 246) = ( 0.3333333 0.5773503 0.1570815), wk = 0.0038610 k( 247) = ( 0.3333333 0.5773503 0.1745351), wk = 0.0038610 k( 248) = ( 0.3333333 0.5773503 0.1919886), wk = 0.0038610 k( 249) = ( 0.3333333 0.5773503 0.2094421), wk = 0.0038610 k( 250) = ( 0.3333333 0.5773503 0.2268956), wk = 0.0038610 k( 251) = ( 0.3333333 0.5773503 0.2443491), wk = 0.0038610 k( 252) = ( 0.3333333 0.5773503 0.2618026), wk = 0.0038610 k( 253) = ( 0.3333333 0.5773503 0.2792561), wk = 0.0038610 k( 254) = ( 0.3333333 0.5773503 0.2967096), wk = 0.0038610 k( 255) = ( 0.3333333 0.5773503 0.3141631), wk = 0.0038610 k( 256) = ( 0.3333333 0.5773503 0.3316166), wk = 0.0038610 k( 257) = ( 0.3333333 0.5773503 0.3490701), wk = 0.0038610 k( 258) = ( 0.3333333 0.5773503 0.3665236), wk = 0.0038610 k( 259) = ( 0.3333333 0.5773503 0.3839771), wk = 0.0038610 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 2) = ( 0.0151515 -0.0000000 0.0000000), wk = 0.0038610 k( 3) = ( 0.0303030 -0.0000000 0.0000000), wk = 0.0038610 k( 4) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0038610 k( 5) = ( 0.0606061 -0.0000000 0.0000000), wk = 0.0038610 k( 6) = ( 0.0757576 -0.0000000 0.0000000), wk = 0.0038610 k( 7) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0038610 k( 8) = ( 0.1060606 -0.0000000 0.0000000), wk = 0.0038610 k( 9) = ( 0.1212121 -0.0000000 0.0000000), wk = 0.0038610 k( 10) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0038610 k( 11) = ( 0.1515151 -0.0000000 0.0000000), wk = 0.0038610 k( 12) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0038610 k( 13) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0038610 k( 14) = ( 0.1969697 -0.0000000 0.0000000), wk = 0.0038610 k( 15) = ( 0.2121212 -0.0000000 0.0000000), wk = 0.0038610 k( 16) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0038610 k( 17) = ( 0.2424242 -0.0000000 0.0000000), wk = 0.0038610 k( 18) = ( 0.2575758 -0.0000000 -0.0000000), wk = 0.0038610 k( 19) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0038610 k( 20) = ( 0.2878788 -0.0000000 0.0000000), wk = 0.0038610 k( 21) = ( 0.3030303 -0.0000000 0.0000000), wk = 0.0038610 k( 22) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0038610 k( 23) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0038610 k( 24) = ( 0.3484849 -0.0000000 0.0000000), wk = 0.0038610 k( 25) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0038610 k( 26) = ( 0.3787879 -0.0000000 0.0000000), wk = 0.0038610 k( 27) = ( 0.3939394 -0.0000000 -0.0000000), wk = 0.0038610 k( 28) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0038610 k( 29) = ( 0.4242424 -0.0000000 0.0000000), wk = 0.0038610 k( 30) = ( 0.4393939 -0.0000000 0.0000000), wk = 0.0038610 k( 31) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0038610 k( 32) = ( 0.4696970 -0.0000000 0.0000000), wk = 0.0038610 k( 33) = ( 0.4848485 -0.0000000 0.0000000), wk = 0.0038610 k( 34) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0038610 k( 35) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0038610 k( 36) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0038610 k( 37) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0038610 k( 38) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0038610 k( 39) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0038610 k( 40) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0038610 k( 41) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0038610 k( 42) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0038610 k( 43) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0038610 k( 44) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0038610 k( 45) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0038610 k( 46) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0038610 k( 47) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0038610 k( 48) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0038610 k( 49) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0038610 k( 50) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0038610 k( 51) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0038610 k( 52) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0038610 k( 53) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0038610 k( 54) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0038610 k( 55) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038610 k( 56) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038610 k( 57) = ( 0.3247863 0.3247863 0.0000000), wk = 0.0038610 k( 58) = ( 0.3162393 0.3162393 0.0000000), wk = 0.0038610 k( 59) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0038610 k( 60) = ( 0.2991453 0.2991453 0.0000000), wk = 0.0038610 k( 61) = ( 0.2905983 0.2905983 0.0000000), wk = 0.0038610 k( 62) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0038610 k( 63) = ( 0.2735043 0.2735043 0.0000000), wk = 0.0038610 k( 64) = ( 0.2649573 0.2649573 -0.0000000), wk = 0.0038610 k( 65) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0038610 k( 66) = ( 0.2478633 0.2478633 0.0000000), wk = 0.0038610 k( 67) = ( 0.2393162 0.2393162 0.0000000), wk = 0.0038610 k( 68) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0038610 k( 69) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0038610 k( 70) = ( 0.2136752 0.2136752 0.0000000), wk = 0.0038610 k( 71) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0038610 k( 72) = ( 0.1965812 0.1965812 -0.0000000), wk = 0.0038610 k( 73) = ( 0.1880342 0.1880342 0.0000000), wk = 0.0038610 k( 74) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0038610 k( 75) = ( 0.1709402 0.1709402 0.0000000), wk = 0.0038610 k( 76) = ( 0.1623932 0.1623932 0.0000000), wk = 0.0038610 k( 77) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0038610 k( 78) = ( 0.1452991 0.1452991 -0.0000000), wk = 0.0038610 k( 79) = ( 0.1367521 0.1367521 0.0000000), wk = 0.0038610 k( 80) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0038610 k( 81) = ( 0.1196581 0.1196581 0.0000000), wk = 0.0038610 k( 82) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0038610 k( 83) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0038610 k( 84) = ( 0.0940171 0.0940171 0.0000000), wk = 0.0038610 k( 85) = ( 0.0854701 0.0854701 -0.0000000), wk = 0.0038610 k( 86) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0038610 k( 87) = ( 0.0683761 0.0683761 0.0000000), wk = 0.0038610 k( 88) = ( 0.0598291 0.0598291 0.0000000), wk = 0.0038610 k( 89) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0038610 k( 90) = ( 0.0427350 0.0427350 0.0000000), wk = 0.0038610 k( 91) = ( 0.0341880 0.0341880 0.0000000), wk = 0.0038610 k( 92) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0038610 k( 93) = ( 0.0170940 0.0170940 0.0000000), wk = 0.0038610 k( 94) = ( 0.0085470 0.0085470 0.0000000), wk = 0.0038610 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 97) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0038610 k( 98) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0038610 k( 99) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0038610 k( 100) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0038610 k( 101) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0038610 k( 102) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0038610 k( 103) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0038610 k( 104) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0038610 k( 105) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0038610 k( 106) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0038610 k( 107) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038610 k( 108) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0038610 k( 109) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0038610 k( 110) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0038610 k( 111) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0038610 k( 112) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0038610 k( 113) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0038610 k( 114) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0038610 k( 115) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0038610 k( 116) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0038610 k( 117) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0038610 k( 118) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038610 k( 119) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038610 k( 120) = ( 0.0151515 -0.0000000 0.5000000), wk = 0.0038610 k( 121) = ( 0.0303030 -0.0000000 0.5000000), wk = 0.0038610 k( 122) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0038610 k( 123) = ( 0.0606061 -0.0000000 0.5000000), wk = 0.0038610 k( 124) = ( 0.0757576 -0.0000000 0.5000000), wk = 0.0038610 k( 125) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0038610 k( 126) = ( 0.1060606 -0.0000000 0.5000000), wk = 0.0038610 k( 127) = ( 0.1212121 -0.0000000 0.5000000), wk = 0.0038610 k( 128) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0038610 k( 129) = ( 0.1515151 -0.0000000 0.5000000), wk = 0.0038610 k( 130) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0038610 k( 131) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0038610 k( 132) = ( 0.1969697 -0.0000000 0.5000000), wk = 0.0038610 k( 133) = ( 0.2121212 -0.0000000 0.5000000), wk = 0.0038610 k( 134) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0038610 k( 135) = ( 0.2424242 -0.0000000 0.5000000), wk = 0.0038610 k( 136) = ( 0.2575758 -0.0000000 0.5000000), wk = 0.0038610 k( 137) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0038610 k( 138) = ( 0.2878788 -0.0000000 0.5000000), wk = 0.0038610 k( 139) = ( 0.3030303 -0.0000000 0.5000000), wk = 0.0038610 k( 140) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0038610 k( 141) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0038610 k( 142) = ( 0.3484849 -0.0000000 0.5000000), wk = 0.0038610 k( 143) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0038610 k( 144) = ( 0.3787879 -0.0000000 0.5000000), wk = 0.0038610 k( 145) = ( 0.3939394 -0.0000000 0.5000000), wk = 0.0038610 k( 146) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0038610 k( 147) = ( 0.4242424 -0.0000000 0.5000000), wk = 0.0038610 k( 148) = ( 0.4393939 -0.0000000 0.5000000), wk = 0.0038610 k( 149) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0038610 k( 150) = ( 0.4696970 -0.0000000 0.5000000), wk = 0.0038610 k( 151) = ( 0.4848485 -0.0000000 0.5000000), wk = 0.0038610 k( 152) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038610 k( 153) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038610 k( 154) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0038610 k( 155) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0038610 k( 156) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0038610 k( 157) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0038610 k( 158) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0038610 k( 159) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0038610 k( 160) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0038610 k( 161) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0038610 k( 162) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0038610 k( 163) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0038610 k( 164) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0038610 k( 165) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0038610 k( 166) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0038610 k( 167) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0038610 k( 168) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0038610 k( 169) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0038610 k( 170) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0038610 k( 171) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0038610 k( 172) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0038610 k( 173) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038610 k( 174) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038610 k( 175) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0038610 k( 176) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0038610 k( 177) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0038610 k( 178) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0038610 k( 179) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0038610 k( 180) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0038610 k( 181) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0038610 k( 182) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0038610 k( 183) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0038610 k( 184) = ( 0.2478633 0.2478633 0.5000000), wk = 0.0038610 k( 185) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0038610 k( 186) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0038610 k( 187) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0038610 k( 188) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0038610 k( 189) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0038610 k( 190) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0038610 k( 191) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0038610 k( 192) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0038610 k( 193) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0038610 k( 194) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0038610 k( 195) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0038610 k( 196) = ( 0.1452991 0.1452991 0.5000000), wk = 0.0038610 k( 197) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0038610 k( 198) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0038610 k( 199) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0038610 k( 200) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0038610 k( 201) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0038610 k( 202) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0038610 k( 203) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0038610 k( 204) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0038610 k( 205) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0038610 k( 206) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0038610 k( 207) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0038610 k( 208) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0038610 k( 209) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0038610 k( 210) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0038610 k( 211) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0038610 k( 212) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0038610 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038610 k( 214) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038610 k( 215) = ( 0.5000000 -0.0000000 0.4772727), wk = 0.0038610 k( 216) = ( 0.5000000 -0.0000000 0.4545455), wk = 0.0038610 k( 217) = ( 0.5000000 -0.0000000 0.4318182), wk = 0.0038610 k( 218) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0038610 k( 219) = ( 0.5000000 -0.0000000 0.3863636), wk = 0.0038610 k( 220) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0038610 k( 221) = ( 0.5000000 -0.0000000 0.3409091), wk = 0.0038610 k( 222) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0038610 k( 223) = ( 0.5000000 -0.0000000 0.2954545), wk = 0.0038610 k( 224) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0038610 k( 225) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0038610 k( 226) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0038610 k( 227) = ( 0.5000000 -0.0000000 0.2045454), wk = 0.0038610 k( 228) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0038610 k( 229) = ( 0.5000000 -0.0000000 0.1590909), wk = 0.0038610 k( 230) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0038610 k( 231) = ( 0.5000000 -0.0000000 0.1136364), wk = 0.0038610 k( 232) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0038610 k( 233) = ( 0.5000000 -0.0000000 0.0681818), wk = 0.0038610 k( 234) = ( 0.5000000 -0.0000000 0.0454545), wk = 0.0038610 k( 235) = ( 0.5000000 -0.0000000 0.0227273), wk = 0.0038610 k( 236) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0038610 k( 237) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038610 k( 238) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0038610 k( 239) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0038610 k( 240) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0038610 k( 241) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0038610 k( 242) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0038610 k( 243) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0038610 k( 244) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0038610 k( 245) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0038610 k( 246) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0038610 k( 247) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0038610 k( 248) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0038610 k( 249) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0038610 k( 250) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0038610 k( 251) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0038610 k( 252) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0038610 k( 253) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0038610 k( 254) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0038610 k( 255) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0038610 k( 256) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0038610 k( 257) = ( 0.3333333 0.3333333 0.4545454), wk = 0.0038610 k( 258) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0038610 k( 259) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038610 Dense grid: 97343 G-vectors FFT dimensions: ( 60, 60, 72) Smooth grid: 53555 G-vectors FFT dimensions: ( 45, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 384, 58) NL pseudopotentials 0.48 Mb ( 192, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2705) G-vector shells 0.01 Mb ( 1243) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.36 Mb ( 384, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca2Ge.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.4 secs Computing kpt #: 8 total cpu time spent up to now is 14.8 secs Computing kpt #: 9 total cpu time spent up to now is 16.1 secs Computing kpt #: 10 total cpu time spent up to now is 17.4 secs Computing kpt #: 11 total cpu time spent up to now is 18.9 secs Computing kpt #: 12 total cpu time spent up to now is 20.2 secs Computing kpt #: 13 total cpu time spent up to now is 21.6 secs Computing kpt #: 14 total cpu time spent up to now is 22.9 secs Computing kpt #: 15 total cpu time spent up to now is 24.2 secs Computing kpt #: 16 total cpu time spent up to now is 25.6 secs Computing kpt #: 17 total cpu time spent up to now is 26.9 secs Computing kpt #: 18 total cpu time spent up to now is 28.2 secs Computing kpt #: 19 total cpu time spent up to now is 29.5 secs Computing kpt #: 20 total cpu time spent up to now is 30.8 secs Computing kpt #: 21 total cpu time spent up to now is 32.2 secs Computing kpt #: 22 total cpu time spent up to now is 33.5 secs Computing kpt #: 23 total cpu time spent up to now is 35.1 secs Computing kpt #: 24 total cpu time spent up to now is 36.4 secs Computing kpt #: 25 total cpu time spent up to now is 37.8 secs Computing kpt #: 26 total cpu time spent up to now is 39.2 secs Computing kpt #: 27 total cpu time spent up to now is 40.5 secs Computing kpt #: 28 total cpu time spent up to now is 42.0 secs Computing kpt #: 29 total cpu time spent up to now is 43.3 secs Computing kpt #: 30 total cpu time spent up to now is 44.8 secs Computing kpt #: 31 total cpu time spent up to now is 46.3 secs Computing kpt #: 32 total cpu time spent up to now is 47.9 secs Computing kpt #: 33 total cpu time spent up to now is 49.5 secs Computing kpt #: 34 total cpu time spent up to now is 51.1 secs Computing kpt #: 35 total cpu time spent up to now is 52.8 secs Computing kpt #: 36 total cpu time spent up to now is 54.4 secs Computing kpt #: 37 total cpu time spent up to now is 56.4 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.9 secs Computing kpt #: 39 total cpu time spent up to now is 60.7 secs Computing kpt #: 40 total cpu time spent up to now is 62.1 secs Computing kpt #: 41 total cpu time spent up to now is 63.4 secs Computing kpt #: 42 total cpu time spent up to now is 64.7 secs Computing kpt #: 43 total cpu time spent up to now is 66.1 secs Computing kpt #: 44 total cpu time spent up to now is 67.4 secs Computing kpt #: 45 total cpu time spent up to now is 68.8 secs Computing kpt #: 46 total cpu time spent up to now is 70.2 secs Computing kpt #: 47 total cpu time spent up to now is 71.6 secs Computing kpt #: 48 total cpu time spent up to now is 72.9 secs Computing kpt #: 49 total cpu time spent up to now is 74.3 secs Computing kpt #: 50 total cpu time spent up to now is 75.7 secs Computing kpt #: 51 total cpu time spent up to now is 77.1 secs Computing kpt #: 52 total cpu time spent up to now is 78.5 secs Computing kpt #: 53 total cpu time spent up to now is 80.0 secs Computing kpt #: 54 total cpu time spent up to now is 81.4 secs Computing kpt #: 55 total cpu time spent up to now is 82.9 secs Computing kpt #: 56 total cpu time spent up to now is 84.4 secs Computing kpt #: 57 total cpu time spent up to now is 85.8 secs Computing kpt #: 58 total cpu time spent up to now is 87.4 secs Computing kpt #: 59 total cpu time spent up to now is 89.3 secs Computing kpt #: 60 total cpu time spent up to now is 91.5 secs Computing kpt #: 61 total cpu time spent up to now is 93.8 secs Computing kpt #: 62 total cpu time spent up to now is 95.7 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.2 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.6 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.1 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.5 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.0 secs Computing kpt #: 68 total cpu time spent up to now is 110.4 secs Computing kpt #: 69 total cpu time spent up to now is 112.6 secs Computing kpt #: 70 total cpu time spent up to now is 114.6 secs Computing kpt #: 71 total cpu time spent up to now is 116.3 secs Computing kpt #: 72 total cpu time spent up to now is 117.8 secs Computing kpt #: 73 total cpu time spent up to now is 119.3 secs Computing kpt #: 74 total cpu time spent up to now is 120.7 secs Computing kpt #: 75 total cpu time spent up to now is 122.1 secs Computing kpt #: 76 total cpu time spent up to now is 123.5 secs Computing kpt #: 77 total cpu time spent up to now is 124.9 secs Computing kpt #: 78 total cpu time spent up to now is 126.2 secs Computing kpt #: 79 total cpu time spent up to now is 127.5 secs Computing kpt #: 80 total cpu time spent up to now is 128.7 secs Computing kpt #: 81 total cpu time spent up to now is 130.0 secs Computing kpt #: 82 total cpu time spent up to now is 131.3 secs Computing kpt #: 83 total cpu time spent up to now is 132.6 secs Computing kpt #: 84 total cpu time spent up to now is 133.9 secs Computing kpt #: 85 total cpu time spent up to now is 135.3 secs Computing kpt #: 86 total cpu time spent up to now is 136.7 secs Computing kpt #: 87 total cpu time spent up to now is 138.1 secs Computing kpt #: 88 total cpu time spent up to now is 139.6 secs Computing kpt #: 89 total cpu time spent up to now is 141.1 secs Computing kpt #: 90 total cpu time spent up to now is 142.8 secs Computing kpt #: 91 total cpu time spent up to now is 144.4 secs Computing kpt #: 92 total cpu time spent up to now is 146.1 secs Computing kpt #: 93 total cpu time spent up to now is 147.7 secs Computing kpt #: 94 total cpu time spent up to now is 149.5 secs Computing kpt #: 95 total cpu time spent up to now is 151.2 secs Computing kpt #: 96 total cpu time spent up to now is 152.9 secs Computing kpt #: 97 total cpu time spent up to now is 154.5 secs Computing kpt #: 98 total cpu time spent up to now is 156.2 secs Computing kpt #: 99 total cpu time spent up to now is 157.8 secs Computing kpt #: 100 total cpu time spent up to now is 159.6 secs Computing kpt #: 101 total cpu time spent up to now is 161.1 secs Computing kpt #: 102 total cpu time spent up to now is 162.7 secs Computing kpt #: 103 total cpu time spent up to now is 164.4 secs Computing kpt #: 104 total cpu time spent up to now is 166.2 secs Computing kpt #: 105 total cpu time spent up to now is 167.9 secs Computing kpt #: 106 total cpu time spent up to now is 169.8 secs Computing kpt #: 107 total cpu time spent up to now is 171.6 secs Computing kpt #: 108 total cpu time spent up to now is 173.4 secs Computing kpt #: 109 total cpu time spent up to now is 175.2 secs Computing kpt #: 110 total cpu time spent up to now is 176.8 secs Computing kpt #: 111 total cpu time spent up to now is 178.6 secs Computing kpt #: 112 total cpu time spent up to now is 180.4 secs Computing kpt #: 113 total cpu time spent up to now is 182.2 secs Computing kpt #: 114 total cpu time spent up to now is 184.4 secs Computing kpt #: 115 total cpu time spent up to now is 186.0 secs Computing kpt #: 116 total cpu time spent up to now is 187.6 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.3 secs Computing kpt #: 118 total cpu time spent up to now is 191.9 secs Computing kpt #: 119 total cpu time spent up to now is 193.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.2 secs Computing kpt #: 121 total cpu time spent up to now is 196.7 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.0 secs Computing kpt #: 123 total cpu time spent up to now is 201.2 secs Computing kpt #: 124 total cpu time spent up to now is 202.6 secs Computing kpt #: 125 total cpu time spent up to now is 204.0 secs Computing kpt #: 126 total cpu time spent up to now is 205.4 secs Computing kpt #: 127 total cpu time spent up to now is 206.9 secs Computing kpt #: 128 total cpu time spent up to now is 208.2 secs Computing kpt #: 129 total cpu time spent up to now is 209.5 secs Computing kpt #: 130 total cpu time spent up to now is 211.0 secs Computing kpt #: 131 total cpu time spent up to now is 212.5 secs Computing kpt #: 132 total cpu time spent up to now is 214.1 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.5 secs Computing kpt #: 134 total cpu time spent up to now is 218.3 secs Computing kpt #: 135 total cpu time spent up to now is 220.1 secs Computing kpt #: 136 total cpu time spent up to now is 221.9 secs Computing kpt #: 137 total cpu time spent up to now is 223.7 secs Computing kpt #: 138 total cpu time spent up to now is 225.6 secs Computing kpt #: 139 total cpu time spent up to now is 227.1 secs Computing kpt #: 140 total cpu time spent up to now is 228.9 secs Computing kpt #: 141 total cpu time spent up to now is 230.6 secs Computing kpt #: 142 total cpu time spent up to now is 232.3 secs Computing kpt #: 143 total cpu time spent up to now is 234.2 secs Computing kpt #: 144 total cpu time spent up to now is 235.8 secs Computing kpt #: 145 total cpu time spent up to now is 237.6 secs Computing kpt #: 146 total cpu time spent up to now is 239.4 secs Computing kpt #: 147 total cpu time spent up to now is 241.2 secs Computing kpt #: 148 total cpu time spent up to now is 242.9 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 245.4 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.8 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.3 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 252.6 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.0 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.6 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.1 secs Computing kpt #: 156 total cpu time spent up to now is 262.6 secs Computing kpt #: 157 total cpu time spent up to now is 265.1 secs Computing kpt #: 158 total cpu time spent up to now is 267.1 secs Computing kpt #: 159 total cpu time spent up to now is 269.0 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.6 secs Computing kpt #: 161 total cpu time spent up to now is 273.8 secs Computing kpt #: 162 total cpu time spent up to now is 275.9 secs Computing kpt #: 163 total cpu time spent up to now is 277.9 secs Computing kpt #: 164 total cpu time spent up to now is 279.8 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.3 secs Computing kpt #: 166 total cpu time spent up to now is 284.3 secs Computing kpt #: 167 total cpu time spent up to now is 286.7 secs Computing kpt #: 168 total cpu time spent up to now is 288.7 secs Computing kpt #: 169 total cpu time spent up to now is 290.8 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.2 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.7 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.2 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.7 secs Computing kpt #: 174 total cpu time spent up to now is 303.1 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.6 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.1 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.6 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 313.1 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 315.6 secs Computing kpt #: 180 total cpu time spent up to now is 317.9 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.3 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.9 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.3 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.8 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.2 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 332.7 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 335.1 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 337.5 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.9 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.3 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.7 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.0 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.4 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.9 secs Computing kpt #: 195 total cpu time spent up to now is 353.7 secs Computing kpt #: 196 total cpu time spent up to now is 355.5 secs Computing kpt #: 197 total cpu time spent up to now is 357.3 secs Computing kpt #: 198 total cpu time spent up to now is 359.1 secs Computing kpt #: 199 total cpu time spent up to now is 361.0 secs Computing kpt #: 200 total cpu time spent up to now is 363.0 secs Computing kpt #: 201 total cpu time spent up to now is 364.9 secs Computing kpt #: 202 total cpu time spent up to now is 366.8 secs Computing kpt #: 203 total cpu time spent up to now is 368.2 secs Computing kpt #: 204 total cpu time spent up to now is 369.7 secs Computing kpt #: 205 total cpu time spent up to now is 371.2 secs Computing kpt #: 206 total cpu time spent up to now is 372.8 secs Computing kpt #: 207 total cpu time spent up to now is 374.2 secs Computing kpt #: 208 total cpu time spent up to now is 375.7 secs Computing kpt #: 209 total cpu time spent up to now is 377.1 secs Computing kpt #: 210 total cpu time spent up to now is 378.8 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.1 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.4 secs Computing kpt #: 213 total cpu time spent up to now is 385.3 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.7 secs Computing kpt #: 215 total cpu time spent up to now is 389.9 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 392.4 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 395.0 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.5 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.0 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 402.6 secs Computing kpt #: 221 total cpu time spent up to now is 404.5 secs Computing kpt #: 222 total cpu time spent up to now is 406.1 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 408.5 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.1 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 413.7 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.2 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.7 secs Computing kpt #: 228 total cpu time spent up to now is 421.0 secs Computing kpt #: 229 total cpu time spent up to now is 422.7 secs Computing kpt #: 230 total cpu time spent up to now is 424.8 secs Computing kpt #: 231 total cpu time spent up to now is 426.9 secs Computing kpt #: 232 total cpu time spent up to now is 428.7 secs Computing kpt #: 233 total cpu time spent up to now is 430.3 secs Computing kpt #: 234 total cpu time spent up to now is 432.0 secs Computing kpt #: 235 total cpu time spent up to now is 433.7 secs Computing kpt #: 236 total cpu time spent up to now is 435.4 secs Computing kpt #: 237 total cpu time spent up to now is 437.1 secs Computing kpt #: 238 total cpu time spent up to now is 438.6 secs Computing kpt #: 239 total cpu time spent up to now is 440.0 secs Computing kpt #: 240 total cpu time spent up to now is 441.5 secs Computing kpt #: 241 total cpu time spent up to now is 443.1 secs Computing kpt #: 242 total cpu time spent up to now is 444.6 secs Computing kpt #: 243 total cpu time spent up to now is 446.3 secs Computing kpt #: 244 total cpu time spent up to now is 447.9 secs Computing kpt #: 245 total cpu time spent up to now is 449.4 secs Computing kpt #: 246 total cpu time spent up to now is 451.0 secs Computing kpt #: 247 total cpu time spent up to now is 453.0 secs Computing kpt #: 248 total cpu time spent up to now is 455.0 secs Computing kpt #: 249 total cpu time spent up to now is 456.8 secs Computing kpt #: 250 total cpu time spent up to now is 458.7 secs Computing kpt #: 251 total cpu time spent up to now is 460.5 secs Computing kpt #: 252 total cpu time spent up to now is 462.2 secs Computing kpt #: 253 total cpu time spent up to now is 464.0 secs Computing kpt #: 254 total cpu time spent up to now is 465.6 secs Computing kpt #: 255 total cpu time spent up to now is 467.3 secs Computing kpt #: 256 total cpu time spent up to now is 469.0 secs Computing kpt #: 257 total cpu time spent up to now is 470.8 secs Computing kpt #: 258 total cpu time spent up to now is 473.2 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.7 secs ethr = 2.08E-08, avg # of iterations = 73.5 total cpu time spent up to now is 475.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6653 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3354 -17.3354 -17.2929 -17.2929 -16.9814 -16.9814 -16.9374 -16.9374 -16.9070 -16.9070 -16.9026 -16.9026 -16.8984 -16.8984 -16.8720 -16.8720 -16.5326 -16.5326 -16.5188 -16.5188 -16.5166 -16.5166 -16.5021 -16.5021 -2.0377 -2.0377 -1.2384 -1.2384 3.5224 3.5224 4.4723 4.4723 4.5391 4.5391 5.2042 5.2042 5.2869 5.2869 5.4916 5.4916 6.8403 6.8403 6.8473 6.8473 6.8518 6.8518 6.8974 6.8974 6.8993 6.8993 k = 0.0152 0.0087-0.0000 ( 6685 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3354 -17.3353 -17.2930 -17.2930 -16.9820 -16.9810 -16.9376 -16.9376 -16.9074 -16.9074 -16.9025 -16.9017 -16.8987 -16.8982 -16.8723 -16.8718 -16.5326 -16.5326 -16.5189 -16.5188 -16.5167 -16.5167 -16.5022 -16.5022 -2.0368 -2.0368 -1.2384 -1.2384 3.5236 3.5237 4.4714 4.4715 4.5383 4.5383 5.1773 5.1799 5.2665 5.2672 5.5365 5.5391 6.8057 6.8067 6.8303 6.8306 6.8486 6.8486 6.8989 6.8991 6.9264 6.9293 k = 0.0303 0.0175-0.0000 ( 6709 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3356 -17.3354 -17.2930 -17.2930 -16.9827 -16.9808 -16.9381 -16.9381 -16.9083 -16.9080 -16.9016 -16.9002 -16.8989 -16.8979 -16.8727 -16.8716 -16.5326 -16.5326 -16.5189 -16.5188 -16.5168 -16.5168 -16.5023 -16.5022 -2.0341 -2.0341 -1.2383 -1.2382 3.5272 3.5275 4.4688 4.4689 4.5361 4.5361 5.1000 5.1033 5.2523 5.2533 5.6287 5.6324 6.7411 6.7416 6.8023 6.8027 6.8498 6.8499 6.9011 6.9012 6.9578 6.9613 k = 0.0455 0.0262-0.0000 ( 6729 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3357 -17.3354 -17.2930 -17.2930 -16.9835 -16.9807 -16.9389 -16.9387 -16.9093 -16.9087 -16.9002 -16.8994 -16.8980 -16.8976 -16.8731 -16.8714 -16.5325 -16.5325 -16.5190 -16.5188 -16.5168 -16.5168 -16.5024 -16.5023 -2.0295 -2.0295 -1.2382 -1.2380 3.5332 3.5336 4.4635 4.4637 4.5334 4.5334 5.0024 5.0055 5.2482 5.2489 5.7330 5.7375 6.6718 6.6719 6.7708 6.7713 6.8537 6.8538 6.9046 6.9048 6.9794 6.9830 k = 0.0606 0.0350-0.0000 ( 6729 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3358 -17.3354 -17.2930 -17.2929 -16.9844 -16.9807 -16.9399 -16.9395 -16.9102 -16.9094 -16.8996 -16.8985 -16.8971 -16.8958 -16.8735 -16.8712 -16.5324 -16.5324 -16.5190 -16.5188 -16.5168 -16.5168 -16.5025 -16.5024 -2.0232 -2.0232 -1.2379 -1.2378 3.5417 3.5422 4.4544 4.4547 4.5311 4.5311 4.9004 4.9033 5.2464 5.2470 5.8400 5.8452 6.6004 6.6010 6.7414 6.7419 6.8595 6.8597 6.9097 6.9098 6.9959 6.9993 k = 0.0758 0.0437-0.0000 ( 6737 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6385 -35.6385 -17.3359 -17.3355 -17.2930 -17.2929 -16.9855 -16.9809 -16.9411 -16.9405 -16.9109 -16.9100 -16.8997 -16.8972 -16.8962 -16.8934 -16.8739 -16.8711 -16.5322 -16.5322 -16.5191 -16.5189 -16.5168 -16.5167 -16.5027 -16.5025 -2.0151 -2.0151 -1.2377 -1.2375 3.5526 3.5532 4.4400 4.4404 4.5300 4.5301 4.7992 4.8018 5.2454 5.2459 5.9457 5.9517 6.5286 6.5297 6.7163 6.7169 6.8669 6.8671 6.9161 6.9163 7.0110 7.0145 k = 0.0909 0.0525-0.0000 ( 6731 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6385 -35.6385 -17.3361 -17.3355 -17.2929 -17.2928 -16.9866 -16.9812 -16.9424 -16.9415 -16.9116 -16.9106 -16.8999 -16.8966 -16.8941 -16.8909 -16.8744 -16.8709 -16.5320 -16.5320 -16.5193 -16.5190 -16.5167 -16.5166 -16.5029 -16.5027 -2.0053 -2.0052 -1.2374 -1.2372 3.5659 3.5667 4.4186 4.4191 4.5303 4.5304 4.7021 4.7046 5.2447 5.2451 6.0470 6.0539 6.4570 6.4586 6.6973 6.6980 6.8760 6.8762 6.9239 6.9241 7.0270 7.0306 k = 0.1061 0.0612-0.0000 ( 6725 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3362 -17.3356 -17.2928 -17.2927 -16.9879 -16.9817 -16.9437 -16.9425 -16.9123 -16.9112 -16.9000 -16.8962 -16.8918 -16.8884 -16.8748 -16.8708 -16.5317 -16.5317 -16.5195 -16.5193 -16.5165 -16.5164 -16.5031 -16.5029 -1.9938 -1.9937 -1.2371 -1.2368 3.5816 3.5825 4.3876 4.3881 4.5309 4.5311 4.6143 4.6165 5.2441 5.2444 6.1398 6.1479 6.3862 6.3885 6.6867 6.6874 6.8866 6.8869 6.9330 6.9333 7.0454 7.0492 k = 0.1212 0.0700-0.0000 ( 6707 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6386 -35.6386 -35.6384 -35.6384 -17.3364 -17.3357 -17.2927 -17.2926 -16.9891 -16.9823 -16.9451 -16.9435 -16.9129 -16.9117 -16.9001 -16.8958 -16.8894 -16.8858 -16.8753 -16.8707 -16.5314 -16.5314 -16.5198 -16.5195 -16.5163 -16.5161 -16.5033 -16.5030 -1.9807 -1.9806 -1.2368 -1.2365 3.5996 3.6007 4.3421 4.3425 4.5186 4.5198 4.5547 4.5555 5.2435 5.2438 6.2169 6.2272 6.3175 6.3217 6.6878 6.6882 6.8987 6.8990 6.9435 6.9437 7.0672 7.0713 k = 0.1364 0.0787-0.0000 ( 6711 PWs) bands (ev): -36.0630 -36.0630 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3366 -17.3358 -17.2927 -17.2925 -16.9906 -16.9831 -16.9464 -16.9445 -16.9135 -16.9123 -16.9002 -16.8955 -16.8870 -16.8832 -16.8758 -16.8705 -16.5311 -16.5311 -16.5201 -16.5199 -16.5160 -16.5157 -16.5035 -16.5033 -1.9660 -1.9659 -1.2366 -1.2363 3.6200 3.6212 4.2783 4.2785 4.4721 4.4736 4.5488 4.5489 5.2430 5.2432 6.2338 6.2392 6.2969 6.2977 6.7041 6.7042 6.9122 6.9126 6.9551 6.9554 7.0939 7.0984 k = 0.1515 0.0875-0.0000 ( 6723 PWs) bands (ev): -36.0630 -36.0630 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3368 -17.3360 -17.2926 -17.2924 -16.9920 -16.9841 -16.9477 -16.9454 -16.9141 -16.9129 -16.9003 -16.8951 -16.8845 -16.8808 -16.8762 -16.8703 -16.5308 -16.5308 -16.5206 -16.5203 -16.5157 -16.5154 -16.5038 -16.5035 -1.9499 -1.9498 -1.2365 -1.2362 3.6427 3.6441 4.1998 4.1998 4.4317 4.4329 4.5534 4.5535 5.2424 5.2427 6.1726 6.1734 6.3283 6.3333 6.7360 6.7373 6.9271 6.9275 6.9680 6.9683 7.1270 7.1318 k = 0.1667 0.0962-0.0000 ( 6735 PWs) bands (ev): -36.0630 -36.0630 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3370 -17.3361 -17.2925 -17.2923 -16.9935 -16.9853 -16.9489 -16.9463 -16.9146 -16.9135 -16.9004 -16.8948 -16.8821 -16.8785 -16.8765 -16.8700 -16.5305 -16.5305 -16.5210 -16.5207 -16.5154 -16.5150 -16.5041 -16.5038 -1.9323 -1.9322 -1.2366 -1.2362 3.6676 3.6692 4.1136 4.1136 4.3995 4.4005 4.5600 4.5600 5.2420 5.2422 6.1057 6.1058 6.3448 6.3499 6.7797 6.7823 6.9433 6.9437 6.9820 6.9823 7.1681 7.1731 k = 0.1818 0.1050-0.0000 ( 6727 PWs) bands (ev): -36.0630 -36.0630 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3372 -17.3363 -17.2924 -17.2922 -16.9950 -16.9865 -16.9499 -16.9472 -16.9152 -16.9141 -16.9004 -16.8944 -16.8801 -16.8766 -16.8764 -16.8694 -16.5301 -16.5301 -16.5215 -16.5212 -16.5150 -16.5146 -16.5044 -16.5040 -1.9135 -1.9134 -1.2367 -1.2363 3.6947 3.6966 4.0247 4.0250 4.3718 4.3727 4.5674 4.5674 5.2415 5.2417 6.0383 6.0389 6.3458 6.3507 6.8276 6.8311 6.9607 6.9611 6.9971 6.9974 7.2182 7.2230 k = 0.1970 0.1137-0.0000 ( 6717 PWs) bands (ev): -36.0629 -36.0629 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3375 -17.3365 -17.2922 -17.2920 -16.9966 -16.9879 -16.9509 -16.9480 -16.9157 -16.9147 -16.9005 -16.8941 -16.8792 -16.8752 -16.8751 -16.8683 -16.5298 -16.5297 -16.5220 -16.5217 -16.5145 -16.5142 -16.5046 -16.5043 -1.8934 -1.8933 -1.2372 -1.2367 3.7236 3.7262 3.9357 3.9367 4.3469 4.3479 4.5756 4.5756 5.2412 5.2414 5.9717 5.9724 6.3359 6.3405 6.8732 6.8773 6.9792 6.9796 7.0132 7.0135 7.2766 7.2809 k = 0.2121 0.1225-0.0000 ( 6711 PWs) bands (ev): -36.0629 -36.0629 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3377 -17.3367 -17.2921 -17.2919 -16.9981 -16.9893 -16.9518 -16.9487 -16.9162 -16.9152 -16.9005 -16.8938 -16.8792 -16.8743 -16.8731 -16.8668 -16.5294 -16.5294 -16.5225 -16.5221 -16.5141 -16.5137 -16.5049 -16.5045 -1.8722 -1.8721 -1.2378 -1.2373 3.7530 3.7580 3.8479 3.8514 4.3242 4.3252 4.5842 4.5842 5.2409 5.2410 5.9057 5.9066 6.3182 6.3225 6.9136 6.9178 6.9986 6.9991 7.0303 7.0306 7.3405 7.3438 k = 0.2273 0.1312-0.0000 ( 6713 PWs) bands (ev): -36.0629 -36.0629 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3379 -17.3369 -17.2920 -17.2918 -16.9996 -16.9908 -16.9525 -16.9495 -16.9167 -16.9158 -16.9004 -16.8936 -16.8795 -16.8739 -16.8707 -16.8649 -16.5291 -16.5291 -16.5230 -16.5226 -16.5137 -16.5133 -16.5052 -16.5048 -1.8501 -1.8499 -1.2388 -1.2383 3.7511 3.7620 3.7920 3.8015 4.3034 4.3046 4.5932 4.5932 5.2407 5.2408 5.8405 5.8413 6.2944 6.2986 6.9486 6.9526 7.0190 7.0194 7.0482 7.0484 7.4056 7.4077 k = 0.2424 0.1400-0.0000 ( 6709 PWs) bands (ev): -36.0628 -36.0628 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3381 -17.3371 -17.2918 -17.2916 -17.0011 -16.9924 -16.9532 -16.9501 -16.9172 -16.9164 -16.9004 -16.8934 -16.8798 -16.8737 -16.8683 -16.8629 -16.5288 -16.5288 -16.5234 -16.5230 -16.5132 -16.5129 -16.5054 -16.5050 -1.8271 -1.8269 -1.2401 -1.2396 3.6754 3.6789 3.8278 3.8301 4.2844 4.2858 4.6024 4.6024 5.2405 5.2406 5.7759 5.7767 6.2657 6.2698 6.9791 6.9828 7.0401 7.0404 7.0669 7.0671 7.4670 7.4679 k = 0.2576 0.1487-0.0000 ( 6705 PWs) bands (ev): -36.0628 -36.0628 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3383 -17.3373 -17.2917 -17.2915 -17.0025 -16.9940 -16.9537 -16.9507 -16.9178 -16.9169 -16.9004 -16.8933 -16.8801 -16.8737 -16.8659 -16.8608 -16.5287 -16.5286 -16.5238 -16.5234 -16.5128 -16.5125 -16.5056 -16.5052 -1.8033 -1.8031 -1.2419 -1.2414 3.5963 3.5986 3.8657 3.8671 4.2672 4.2690 4.6117 4.6118 5.2403 5.2404 5.7120 5.7127 6.2327 6.2366 7.0062 7.0096 7.0617 7.0620 7.0863 7.0864 7.5205 7.5207 k = 0.2727 0.1575-0.0000 ( 6702 PWs) bands (ev): -36.0628 -36.0628 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3385 -17.3375 -17.2916 -17.2914 -17.0038 -16.9957 -16.9542 -16.9513 -16.9182 -16.9174 -16.9004 -16.8932 -16.8804 -16.8738 -16.8635 -16.8587 -16.5286 -16.5285 -16.5240 -16.5236 -16.5124 -16.5122 -16.5058 -16.5054 -1.7790 -1.7788 -1.2441 -1.2436 3.5197 3.5215 3.9054 3.9067 4.2520 4.2543 4.6211 4.6212 5.2402 5.2403 5.6487 5.6493 6.1960 6.1998 7.0309 7.0340 7.0836 7.0838 7.1065 7.1065 7.5631 7.5642 k = 0.2879 0.1662-0.0000 ( 6690 PWs) bands (ev): -36.0627 -36.0627 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3387 -17.3377 -17.2914 -17.2912 -17.0051 -16.9973 -16.9546 -16.9518 -16.9187 -16.9179 -16.9003 -16.8932 -16.8806 -16.8740 -16.8612 -16.8567 -16.5286 -16.5285 -16.5242 -16.5238 -16.5121 -16.5119 -16.5060 -16.5055 -1.7542 -1.7540 -1.2468 -1.2463 3.4464 3.4479 3.9468 3.9485 4.2387 4.2417 4.6304 4.6305 5.2401 5.2402 5.5859 5.5863 6.1561 6.1597 7.0539 7.0567 7.1056 7.1057 7.1273 7.1274 7.5954 7.5972 k = 0.3030 0.1750-0.0000 ( 6692 PWs) bands (ev): -36.0627 -36.0627 -36.0484 -36.0484 -35.6388 -35.6388 -35.6385 -35.6385 -17.3389 -17.3379 -17.2913 -17.2911 -17.0063 -16.9989 -16.9550 -16.9523 -16.9191 -16.9185 -16.9002 -16.8933 -16.8808 -16.8742 -16.8591 -16.8548 -16.5287 -16.5287 -16.5242 -16.5238 -16.5118 -16.5117 -16.5061 -16.5056 -1.7292 -1.7290 -1.2501 -1.2496 3.3768 3.3780 3.9897 3.9922 4.2273 4.2315 4.6395 4.6397 5.2399 5.2400 5.5237 5.5239 6.1137 6.1172 7.0756 7.0781 7.1273 7.1274 7.1486 7.1489 7.6191 7.6214 k = 0.3182 0.1837-0.0000 ( 6696 PWs) bands (ev): -36.0627 -36.0627 -36.0484 -36.0484 -35.6388 -35.6388 -35.6385 -35.6385 -17.3391 -17.3381 -17.2912 -17.2910 -17.0075 -17.0004 -16.9553 -16.9527 -16.9196 -16.9190 -16.9001 -16.8934 -16.8809 -16.8744 -16.8570 -16.8530 -16.5290 -16.5290 -16.5240 -16.5237 -16.5115 -16.5115 -16.5062 -16.5056 -1.7041 -1.7038 -1.2540 -1.2534 3.3111 3.3122 4.0338 4.0376 4.2179 4.2238 4.6484 4.6486 5.2394 5.2394 5.4622 5.4623 6.0696 6.0729 7.0963 7.0986 7.1484 7.1486 7.1705 7.1709 7.6364 7.6391 k = 0.3333 0.1925-0.0000 ( 6696 PWs) bands (ev): -36.0627 -36.0627 -36.0484 -36.0484 -35.6388 -35.6388 -35.6385 -35.6385 -17.3392 -17.3383 -17.2911 -17.2909 -17.0085 -17.0019 -16.9555 -16.9531 -16.9200 -16.9194 -16.9000 -16.8936 -16.8809 -16.8747 -16.8551 -16.8514 -16.5294 -16.5294 -16.5238 -16.5235 -16.5114 -16.5114 -16.5062 -16.5056 -1.6790 -1.6787 -1.2585 -1.2580 3.2496 3.2506 4.0781 4.0847 4.2105 4.2194 4.6570 4.6572 5.2383 5.2383 5.4015 5.4019 6.0246 6.0277 7.1161 7.1182 7.1688 7.1691 7.1928 7.1933 7.6495 7.6526 k = 0.3485 0.2012-0.0000 ( 6696 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6388 -35.6388 -35.6385 -35.6385 -17.3394 -17.3385 -17.2909 -17.2908 -17.0094 -17.0034 -16.9557 -16.9535 -16.9204 -16.9199 -16.8999 -16.8939 -16.8808 -16.8750 -16.8532 -16.8498 -16.5299 -16.5298 -16.5235 -16.5232 -16.5114 -16.5113 -16.5061 -16.5055 -1.6542 -1.6539 -1.2637 -1.2631 3.1926 3.1934 4.1207 4.1331 4.2051 4.2200 4.6651 4.6653 5.2353 5.2354 5.3429 5.3437 5.9795 5.9824 7.1351 7.1370 7.1883 7.1888 7.2152 7.2157 7.6597 7.6635 k = 0.3636 0.2099-0.0000 ( 6688 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6388 -35.6388 -35.6385 -35.6385 -17.3395 -17.3387 -17.2908 -17.2907 -17.0102 -17.0047 -16.9559 -16.9539 -16.9207 -16.9203 -16.8998 -16.8941 -16.8807 -16.8753 -16.8515 -16.8484 -16.5303 -16.5302 -16.5232 -16.5229 -16.5114 -16.5112 -16.5060 -16.5054 -1.6298 -1.6295 -1.2695 -1.2689 3.1402 3.1409 4.1556 4.1805 4.2037 4.2314 4.6727 4.6730 5.2255 5.2255 5.2915 5.2926 5.9353 5.9379 7.1531 7.1549 7.2069 7.2074 7.2373 7.2378 7.6675 7.6730 k = 0.3788 0.2187-0.0000 ( 6684 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6388 -35.6388 -35.6385 -35.6385 -17.3396 -17.3389 -17.2907 -17.2906 -17.0110 -17.0060 -16.9560 -16.9542 -16.9210 -16.9206 -16.8996 -16.8945 -16.8806 -16.8756 -16.8499 -16.8472 -16.5307 -16.5306 -16.5229 -16.5227 -16.5114 -16.5113 -16.5059 -16.5053 -1.6061 -1.6059 -1.2759 -1.2754 3.0927 3.0933 4.1745 4.1951 4.2378 4.2615 4.6797 4.6801 5.1929 5.1936 5.2632 5.2640 5.8929 5.8952 7.1700 7.1716 7.2244 7.2249 7.2588 7.2593 7.6699 7.6804 k = 0.3939 0.2274-0.0000 ( 6680 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6389 -35.6389 -35.6385 -35.6385 -17.3397 -17.3391 -17.2906 -17.2905 -17.0116 -17.0072 -16.9561 -16.9545 -16.9213 -16.9210 -16.8994 -16.8948 -16.8804 -16.8759 -16.8485 -16.8461 -16.5311 -16.5310 -16.5226 -16.5224 -16.5114 -16.5113 -16.5057 -16.5052 -1.5834 -1.5831 -1.2829 -1.2824 3.0503 3.0508 4.1819 4.1944 4.2895 4.3054 4.6861 4.6865 5.1403 5.1418 5.2552 5.2556 5.8530 5.8550 7.1855 7.1870 7.2406 7.2410 7.2791 7.2796 7.6537 7.6602 k = 0.4091 0.2362-0.0000 ( 6688 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6389 -35.6389 -35.6385 -35.6385 -17.3398 -17.3392 -17.2906 -17.2905 -17.0121 -17.0083 -16.9561 -16.9548 -16.9216 -16.9213 -16.8992 -16.8952 -16.8802 -16.8763 -16.8473 -16.8451 -16.5315 -16.5314 -16.5223 -16.5222 -16.5115 -16.5114 -16.5055 -16.5051 -1.5619 -1.5616 -1.2904 -1.2899 3.0131 3.0136 4.1855 4.1940 4.3427 4.3551 4.6918 4.6923 5.0825 5.0846 5.2527 5.2530 5.8165 5.8182 7.1995 7.2009 7.2553 7.2557 7.2980 7.2984 7.6261 7.6285 k = 0.4242 0.2449-0.0000 ( 6682 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6385 -17.3399 -17.3394 -17.2905 -17.2904 -17.0124 -17.0092 -16.9561 -16.9550 -16.9218 -16.9215 -16.8990 -16.8956 -16.8799 -16.8766 -16.8461 -16.8444 -16.5318 -16.5317 -16.5221 -16.5219 -16.5116 -16.5115 -16.5053 -16.5050 -1.5419 -1.5417 -1.2982 -1.2977 2.9814 2.9817 4.1879 4.1941 4.3967 4.4070 4.6968 4.6974 5.0238 5.0264 5.2518 5.2520 5.7842 5.7856 7.2117 7.2130 7.2683 7.2686 7.3150 7.3153 7.6001 7.6011 k = 0.4394 0.2537-0.0000 ( 6688 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3399 -17.3395 -17.2904 -17.2903 -17.0127 -17.0101 -16.9561 -16.9552 -16.9220 -16.9218 -16.8987 -16.8960 -16.8796 -16.8769 -16.8452 -16.8438 -16.5320 -16.5320 -16.5219 -16.5217 -16.5117 -16.5116 -16.5052 -16.5049 -1.5240 -1.5238 -1.3058 -1.3055 2.9552 2.9555 4.1900 4.1945 4.4508 4.4597 4.7011 4.7018 4.9655 4.9685 5.2515 5.2516 5.7568 5.7579 7.2220 7.2230 7.2793 7.2796 7.3296 7.3298 7.5782 7.5786 k = 0.4545 0.2624-0.0000 ( 6704 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3400 -17.3397 -17.2904 -17.2903 -17.0128 -17.0109 -16.9561 -16.9554 -16.9221 -16.9220 -16.8985 -16.8964 -16.8793 -16.8773 -16.8445 -16.8434 -16.5322 -16.5322 -16.5217 -16.5216 -16.5117 -16.5116 -16.5051 -16.5048 -1.5088 -1.5086 -1.3130 -1.3127 2.9347 2.9349 4.1918 4.1950 4.5040 4.5118 4.7048 4.7056 4.9089 4.9121 5.2514 5.2515 5.7348 5.7356 7.2300 7.2309 7.2881 7.2883 7.3414 7.3416 7.5610 7.5611 k = 0.4697 0.2712-0.0000 ( 6712 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3400 -17.3398 -17.2904 -17.2903 -17.0128 -17.0115 -16.9561 -16.9556 -16.9222 -16.9221 -16.8982 -16.8968 -16.8790 -16.8777 -16.8439 -16.8431 -16.5324 -16.5324 -16.5216 -16.5216 -16.5118 -16.5117 -16.5050 -16.5048 -1.4969 -1.4967 -1.3190 -1.3188 2.9200 2.9201 4.1933 4.1954 4.5541 4.5606 4.7082 4.7092 4.8559 4.8591 5.2514 5.2514 5.7188 5.7193 7.2359 7.2365 7.2946 7.2947 7.3502 7.3503 7.5487 7.5488 k = 0.4848 0.2799-0.0000 ( 6712 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3400 -17.3399 -17.2903 -17.2903 -17.0127 -17.0121 -16.9560 -16.9558 -16.9223 -16.9222 -16.8979 -16.8972 -16.8787 -16.8780 -16.8434 -16.8431 -16.5325 -16.5325 -16.5215 -16.5215 -16.5118 -16.5118 -16.5049 -16.5048 -1.4892 -1.4891 -1.3231 -1.3229 2.9111 2.9112 4.1945 4.1955 4.5953 4.5997 4.7122 4.7130 4.8123 4.8146 5.2514 5.2514 5.7090 5.7093 7.2395 7.2398 7.2985 7.2986 7.3556 7.3556 7.5413 7.5414 k = 0.5000 0.2887-0.0000 ( 6708 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3399 -17.3399 -17.2903 -17.2903 -17.0124 -17.0124 -16.9559 -16.9559 -16.9223 -16.9223 -16.8975 -16.8975 -16.8783 -16.8783 -16.8431 -16.8431 -16.5325 -16.5325 -16.5215 -16.5215 -16.5118 -16.5118 -16.5048 -16.5048 -1.4865 -1.4865 -1.3245 -1.3245 2.9082 2.9082 4.1953 4.1953 4.6146 4.6146 4.7154 4.7154 4.7935 4.7935 5.2514 5.2514 5.7059 5.7059 7.2408 7.2408 7.2999 7.2999 7.3574 7.3574 7.5389 7.5389 k = 0.5000 0.2887-0.0000 ( 6708 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3399 -17.3399 -17.2903 -17.2903 -17.0124 -17.0124 -16.9559 -16.9559 -16.9223 -16.9223 -16.8975 -16.8975 -16.8783 -16.8783 -16.8431 -16.8431 -16.5325 -16.5325 -16.5215 -16.5215 -16.5118 -16.5118 -16.5048 -16.5048 -1.4865 -1.4865 -1.3245 -1.3245 2.9082 2.9082 4.1953 4.1953 4.6146 4.6146 4.7154 4.7154 4.7935 4.7935 5.2514 5.2514 5.7059 5.7059 7.2408 7.2408 7.2999 7.2999 7.3574 7.3574 7.5389 7.5389 k = 0.4917 0.3031-0.0000 ( 6708 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3399 -17.3399 -17.2903 -17.2903 -17.0125 -17.0124 -16.9561 -16.9560 -16.9227 -16.9217 -16.8981 -16.8968 -16.8784 -16.8782 -16.8433 -16.8431 -16.5326 -16.5324 -16.5215 -16.5214 -16.5118 -16.5118 -16.5049 -16.5048 -1.4862 -1.4862 -1.3245 -1.3244 2.9092 2.9093 4.1945 4.1948 4.6142 4.6147 4.7072 4.7082 4.7938 4.7950 5.2496 5.2508 5.7151 5.7154 7.2307 7.2367 7.2939 7.2960 7.3373 7.3458 7.5675 7.5721 k = 0.4833 0.3175-0.0000 ( 6696 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3399 -17.3399 -17.2903 -17.2903 -17.0124 -17.0122 -16.9566 -16.9565 -16.9230 -16.9210 -16.8984 -16.8960 -16.8784 -16.8781 -16.8435 -16.8430 -16.5326 -16.5323 -16.5216 -16.5214 -16.5118 -16.5117 -16.5049 -16.5047 -1.4851 -1.4851 -1.3245 -1.3244 2.9124 2.9125 4.1924 4.1931 4.6124 4.6138 4.6853 4.6874 4.7958 4.7983 5.2455 5.2478 5.7422 5.7428 7.1925 7.1994 7.2867 7.2925 7.3253 7.3318 7.6323 7.6377 k = 0.4750 0.3320-0.0000 ( 6686 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3399 -17.3399 -17.2903 -17.2903 -17.0123 -17.0120 -16.9574 -16.9572 -16.9232 -16.9203 -16.8985 -16.8950 -16.8784 -16.8779 -16.8437 -16.8431 -16.5325 -16.5321 -16.5218 -16.5215 -16.5117 -16.5115 -16.5050 -16.5047 -1.4834 -1.4834 -1.3245 -1.3244 2.9176 2.9178 4.1891 4.1902 4.6042 4.6068 4.6574 4.6611 4.7994 4.8032 5.2392 5.2427 5.7845 5.7854 7.1262 7.1298 7.2966 7.3013 7.3248 7.3290 7.7017 7.7035 k = 0.4667 0.3464-0.0000 ( 6690 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3400 -17.3399 -17.2903 -17.2903 -17.0122 -17.0118 -16.9585 -16.9582 -16.9232 -16.9196 -16.8984 -16.8940 -16.8784 -16.8777 -16.8441 -16.8432 -16.5325 -16.5319 -16.5220 -16.5216 -16.5117 -16.5114 -16.5051 -16.5047 -1.4810 -1.4809 -1.3245 -1.3244 2.9249 2.9250 4.1846 4.1860 4.5758 4.5781 4.6425 4.6460 4.8046 4.8097 5.2309 5.2356 5.8387 5.8397 7.0488 7.0503 7.3154 7.3184 7.3286 7.3321 7.6940 7.6940 k = 0.4583 0.3608-0.0000 ( 6690 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3400 -17.3399 -17.2902 -17.2902 -17.0120 -17.0115 -16.9597 -16.9594 -16.9232 -16.9189 -16.8981 -16.8928 -16.8784 -16.8775 -16.8445 -16.8433 -16.5324 -16.5317 -16.5222 -16.5217 -16.5116 -16.5113 -16.5052 -16.5047 -1.4779 -1.4778 -1.3246 -1.3245 2.9340 2.9342 4.1788 4.1804 4.5284 4.5295 4.6419 4.6445 4.8114 4.8177 5.2210 5.2268 5.9016 5.9027 6.9678 6.9681 7.3290 7.3304 7.3459 7.3493 7.6791 7.6792 k = 0.4500 0.3753-0.0000 ( 6686 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3400 -17.3399 -17.2902 -17.2902 -17.0117 -17.0112 -16.9612 -16.9608 -16.9230 -16.9183 -16.8975 -16.8917 -16.8783 -16.8772 -16.8450 -16.8435 -16.5322 -16.5315 -16.5225 -16.5219 -16.5115 -16.5111 -16.5053 -16.5048 -1.4742 -1.4741 -1.3248 -1.3246 2.9448 2.9451 4.1717 4.1735 4.4727 4.4732 4.6462 4.6483 4.8195 4.8270 5.2099 5.2168 5.9705 5.9717 6.8857 6.8862 7.3351 7.3363 7.3770 7.3798 7.6608 7.6608 k = 0.4417 0.3897-0.0000 ( 6686 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3401 -17.3399 -17.2902 -17.2902 -17.0114 -17.0108 -16.9627 -16.9623 -16.9229 -16.9179 -16.8968 -16.8906 -16.8781 -16.8769 -16.8455 -16.8438 -16.5321 -16.5312 -16.5228 -16.5221 -16.5113 -16.5110 -16.5055 -16.5048 -1.4698 -1.4697 -1.3251 -1.3249 2.9573 2.9575 4.1632 4.1653 4.4139 4.4140 4.6528 4.6546 4.8288 4.8374 5.1979 5.2059 6.0431 6.0445 6.8042 6.8052 7.3415 7.3423 7.4137 7.4159 7.6392 7.6392 k = 0.4333 0.4041-0.0000 ( 6692 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3401 -17.3400 -17.2902 -17.2902 -17.0111 -17.0104 -16.9643 -16.9639 -16.9227 -16.9175 -16.8959 -16.8895 -16.8779 -16.8766 -16.8461 -16.8441 -16.5319 -16.5309 -16.5231 -16.5223 -16.5112 -16.5108 -16.5056 -16.5049 -1.4648 -1.4647 -1.3256 -1.3254 2.9710 2.9713 4.1534 4.1556 4.3543 4.3545 4.6610 4.6626 4.8391 4.8487 5.1855 5.1945 6.1179 6.1193 6.7244 6.7257 7.3484 7.3490 7.4546 7.4564 7.6146 7.6146 k = 0.4250 0.4186-0.0000 ( 6680 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3402 -17.3400 -17.2901 -17.2901 -17.0108 -17.0100 -16.9659 -16.9654 -16.9225 -16.9172 -16.8949 -16.8884 -16.8776 -16.8762 -16.8467 -16.8443 -16.5317 -16.5306 -16.5234 -16.5225 -16.5110 -16.5106 -16.5058 -16.5049 -1.4593 -1.4591 -1.3264 -1.3262 2.9858 2.9861 4.1420 4.1444 4.2961 4.2964 4.6706 4.6722 4.8500 4.8606 5.1730 5.1830 6.1933 6.1947 6.6470 6.6485 7.3560 7.3564 7.4990 7.5004 7.5876 7.5877 k = 0.4167 0.4330-0.0000 ( 6698 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3402 -17.3400 -17.2901 -17.2901 -17.0104 -17.0096 -16.9676 -16.9671 -16.9223 -16.9171 -16.8939 -16.8876 -16.8773 -16.8758 -16.8474 -16.8447 -16.5314 -16.5303 -16.5238 -16.5229 -16.5109 -16.5105 -16.5060 -16.5050 -1.4532 -1.4530 -1.3275 -1.3272 3.0012 3.0016 4.1289 4.1314 4.2408 4.2413 4.6815 4.6831 4.8612 4.8727 5.1608 5.1716 6.2681 6.2695 6.5726 6.5743 7.3639 7.3642 7.5445 7.5451 7.5607 7.5613 k = 0.4083 0.4474-0.0000 ( 6688 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3402 -17.3400 -17.2901 -17.2901 -17.0100 -17.0092 -16.9692 -16.9687 -16.9221 -16.9169 -16.8928 -16.8868 -16.8769 -16.8753 -16.8481 -16.8449 -16.5312 -16.5299 -16.5242 -16.5231 -16.5107 -16.5103 -16.5061 -16.5050 -1.4467 -1.4464 -1.3289 -1.3287 3.0170 3.0173 4.1133 4.1158 4.1906 4.1912 4.6937 4.6953 4.8723 4.8845 5.1491 5.1606 6.3411 6.3424 6.5019 6.5037 7.3722 7.3723 7.5279 7.5280 7.5973 7.5982 k = 0.4000 0.4619-0.0000 ( 6702 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6387 -35.6387 -17.3403 -17.3401 -17.2901 -17.2901 -17.0096 -17.0087 -16.9707 -16.9702 -16.9220 -16.9169 -16.8917 -16.8862 -16.8764 -16.8748 -16.8488 -16.8452 -16.5309 -16.5296 -16.5246 -16.5235 -16.5106 -16.5102 -16.5062 -16.5051 -1.4396 -1.4394 -1.3309 -1.3306 3.0325 3.0329 4.0934 4.0959 4.1483 4.1489 4.7071 4.7087 4.8828 4.8954 5.1384 5.1502 6.4110 6.4120 6.4360 6.4375 7.3805 7.3805 7.4982 7.4982 7.6488 7.6494 k = 0.3917 0.4763-0.0000 ( 6696 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3403 -17.3401 -17.2901 -17.2900 -17.0092 -17.0083 -16.9720 -16.9716 -16.9218 -16.9169 -16.8907 -16.8857 -16.8758 -16.8743 -16.8495 -16.8455 -16.5306 -16.5292 -16.5249 -16.5238 -16.5104 -16.5101 -16.5064 -16.5051 -1.4322 -1.4319 -1.3334 -1.3331 3.0474 3.0478 4.0673 4.0694 4.1173 4.1174 4.7218 4.7235 4.8921 4.9048 5.1286 5.1405 6.3741 6.3760 6.4774 6.4787 7.3884 7.3885 7.4694 7.4694 7.7018 7.7021 k = 0.3833 0.4907-0.0000 ( 6704 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3403 -17.3402 -17.2900 -17.2900 -17.0088 -17.0080 -16.9733 -16.9730 -16.9217 -16.9169 -16.8898 -16.8854 -16.8753 -16.8738 -16.8502 -16.8457 -16.5303 -16.5289 -16.5253 -16.5241 -16.5103 -16.5100 -16.5065 -16.5051 -1.4244 -1.4241 -1.3365 -1.3361 3.0611 3.0614 4.0380 4.0396 4.0949 4.0953 4.7378 4.7395 4.8996 4.9119 5.1201 5.1316 6.3189 6.3206 6.5382 6.5393 7.3954 7.3957 7.4428 7.4429 7.7554 7.7555 k = 0.3750 0.5052-0.0000 ( 6703 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3404 -17.3402 -17.2900 -17.2900 -17.0085 -17.0076 -16.9744 -16.9741 -16.9216 -16.9169 -16.8889 -16.8853 -16.8747 -16.8733 -16.8508 -16.8459 -16.5300 -16.5287 -16.5256 -16.5245 -16.5101 -16.5099 -16.5066 -16.5052 -1.4162 -1.4159 -1.3402 -1.3399 3.0730 3.0733 4.0111 4.0125 4.0766 4.0772 4.7549 4.7567 4.9044 4.9160 5.1130 5.1234 6.2705 6.2720 6.5923 6.5934 7.4007 7.4011 7.4206 7.4206 7.8087 7.8090 k = 0.3667 0.5196-0.0000 ( 6713 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3404 -17.3402 -17.2900 -17.2900 -17.0081 -17.0074 -16.9753 -16.9751 -16.9216 -16.9169 -16.8882 -16.8853 -16.8741 -16.8729 -16.8513 -16.8461 -16.5297 -16.5285 -16.5259 -16.5248 -16.5100 -16.5099 -16.5067 -16.5052 -1.4078 -1.4075 -1.3448 -1.3445 3.0828 3.0831 3.9899 3.9912 4.0602 4.0608 4.7734 4.7753 4.9058 4.9160 5.1073 5.1161 6.2298 6.2310 6.6383 6.6392 7.3974 7.3978 7.4102 7.4103 7.8609 7.8614 k = 0.3583 0.5340-0.0000 ( 6713 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3404 -17.3403 -17.2900 -17.2900 -17.0078 -17.0072 -16.9760 -16.9759 -16.9215 -16.9170 -16.8876 -16.8853 -16.8736 -16.8726 -16.8518 -16.8462 -16.5294 -16.5283 -16.5261 -16.5251 -16.5100 -16.5098 -16.5068 -16.5052 -1.3992 -1.3989 -1.3503 -1.3499 3.0902 3.0904 3.9755 3.9769 4.0451 4.0456 4.7931 4.7950 4.9029 4.9112 5.1031 5.1099 6.1974 6.1984 6.6749 6.6756 7.3871 7.3874 7.4108 7.4110 7.9102 7.9109 k = 0.3500 0.5485-0.0000 ( 6725 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6388 -35.6388 -17.3404 -17.3403 -17.2900 -17.2900 -17.0076 -17.0071 -16.9766 -16.9765 -16.9215 -16.9170 -16.8870 -16.8855 -16.8732 -16.8724 -16.8521 -16.8463 -16.5291 -16.5283 -16.5261 -16.5254 -16.5099 -16.5098 -16.5068 -16.5052 -1.3904 -1.3900 -1.3566 -1.3563 3.0951 3.0952 3.9680 3.9697 4.0315 4.0319 4.8141 4.8160 4.8947 4.9010 5.1005 5.1049 6.1741 6.1748 6.7010 6.7014 7.3823 7.3828 7.4098 7.4101 7.9529 7.9536 k = 0.3417 0.5629-0.0000 ( 6727 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6388 -35.6388 -17.3404 -17.3404 -17.2900 -17.2900 -17.0074 -17.0071 -16.9769 -16.9769 -16.9215 -16.9171 -16.8865 -16.8858 -16.8729 -16.8724 -16.8523 -16.8463 -16.5289 -16.5285 -16.5260 -16.5257 -16.5099 -16.5098 -16.5068 -16.5052 -1.3815 -1.3811 -1.3640 -1.3637 3.0977 3.0977 3.9664 3.9683 4.0208 4.0209 4.8362 4.8380 4.8808 4.8852 5.0994 5.1014 6.1602 6.1605 6.7161 6.7163 7.3843 7.3849 7.4056 7.4058 7.9813 7.9817 k = 0.3333 0.5774-0.0000 ( 6735 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6388 -35.6388 -17.3404 -17.3404 -17.2900 -17.2900 -17.0072 -17.0072 -16.9770 -16.9770 -16.9215 -16.9170 -16.8861 -16.8861 -16.8726 -16.8726 -16.8524 -16.8463 -16.5286 -16.5286 -16.5259 -16.5259 -16.5099 -16.5099 -16.5069 -16.5052 -1.3734 -1.3727 -1.3716 -1.3716 3.0984 3.0984 3.9670 3.9692 4.0160 4.0160 4.8563 4.8563 4.8639 4.8684 5.0997 5.0997 6.1556 6.1556 6.7210 6.7210 7.3893 7.3901 7.4003 7.4003 7.9896 7.9896 k = 0.3333 0.5774-0.0000 ( 6735 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6388 -35.6388 -17.3404 -17.3404 -17.2900 -17.2900 -17.0072 -17.0072 -16.9770 -16.9770 -16.9215 -16.9170 -16.8861 -16.8861 -16.8726 -16.8726 -16.8524 -16.8463 -16.5286 -16.5286 -16.5259 -16.5259 -16.5099 -16.5099 -16.5069 -16.5052 -1.3734 -1.3727 -1.3716 -1.3716 3.0984 3.0984 3.9670 3.9692 4.0160 4.0160 4.8563 4.8563 4.8639 4.8684 5.0997 5.0997 6.1556 6.1556 6.7210 6.7210 7.3893 7.3901 7.4003 7.4003 7.9896 7.9896 k = 0.3248 0.5625-0.0000 ( 6731 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6388 -35.6388 -17.3404 -17.3404 -17.2900 -17.2900 -17.0074 -17.0071 -16.9769 -16.9769 -16.9215 -16.9171 -16.8865 -16.8858 -16.8729 -16.8724 -16.8523 -16.8463 -16.5288 -16.5285 -16.5260 -16.5257 -16.5099 -16.5098 -16.5068 -16.5052 -1.3824 -1.3819 -1.3632 -1.3629 3.0979 3.0979 3.9647 3.9665 4.0224 4.0227 4.8327 4.8330 4.8858 4.8887 5.0997 5.1012 6.1603 6.1606 6.7165 6.7167 7.3791 7.3796 7.4100 7.4102 7.9857 7.9859 k = 0.3162 0.5477-0.0000 ( 6729 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6388 -35.6388 -17.3404 -17.3403 -17.2900 -17.2900 -17.0077 -17.0070 -16.9766 -16.9765 -16.9215 -16.9170 -16.8870 -16.8855 -16.8735 -16.8722 -16.8521 -16.8463 -16.5290 -16.5283 -16.5261 -16.5255 -16.5099 -16.5098 -16.5068 -16.5052 -1.3934 -1.3930 -1.3541 -1.3537 3.0969 3.0970 3.9580 3.9595 4.0407 4.0414 4.7993 4.7996 4.9124 4.9152 5.1013 5.1039 6.1741 6.1746 6.7046 6.7050 7.3595 7.3599 7.4261 7.4263 7.9806 7.9808 k = 0.3077 0.5329-0.0000 ( 6713 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3404 -17.3403 -17.2900 -17.2900 -17.0079 -17.0069 -16.9761 -16.9760 -16.9215 -16.9170 -16.8876 -16.8852 -16.8741 -16.8720 -16.8519 -16.8463 -16.5292 -16.5283 -16.5261 -16.5253 -16.5099 -16.5098 -16.5068 -16.5052 -1.4057 -1.4053 -1.3450 -1.3446 3.0963 3.0964 3.9499 3.9510 4.0673 4.0684 4.7606 4.7614 4.9403 4.9433 5.1045 5.1077 6.1962 6.1969 6.6873 6.6878 7.3343 7.3346 7.4424 7.4426 7.9788 7.9790 k = 0.2991 0.5181-0.0000 ( 6713 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3404 -17.3402 -17.2900 -17.2900 -17.0083 -17.0068 -16.9754 -16.9752 -16.9215 -16.9169 -16.8882 -16.8850 -16.8749 -16.8719 -16.8517 -16.8464 -16.5294 -16.5283 -16.5260 -16.5251 -16.5099 -16.5098 -16.5068 -16.5053 -1.4192 -1.4189 -1.3361 -1.3357 3.0968 3.0969 3.9420 3.9430 4.0996 4.1010 4.7178 4.7188 4.9695 4.9725 5.1091 5.1126 6.2258 6.2266 6.6665 6.6672 7.3044 7.3047 7.4562 7.4562 7.9814 7.9816 k = 0.2906 0.5033-0.0000 ( 6697 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3404 -17.3401 -17.2901 -17.2900 -17.0086 -17.0067 -16.9746 -16.9744 -16.9215 -16.9168 -16.8889 -16.8848 -16.8757 -16.8719 -16.8515 -16.8465 -16.5295 -16.5283 -16.5259 -16.5249 -16.5100 -16.5098 -16.5068 -16.5053 -1.4341 -1.4337 -1.3274 -1.3270 3.0992 3.0994 3.9353 3.9361 4.1360 4.1376 4.6718 4.6728 4.9997 5.0028 5.1150 5.1185 6.2619 6.2627 6.6437 6.6446 7.2708 7.2710 7.4652 7.4654 7.9883 7.9886 k = 0.2821 0.4885-0.0000 ( 6687 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3403 -17.3400 -17.2901 -17.2900 -17.0088 -17.0065 -16.9736 -16.9733 -16.9215 -16.9167 -16.8896 -16.8847 -16.8765 -16.8718 -16.8513 -16.8467 -16.5295 -16.5283 -16.5258 -16.5248 -16.5100 -16.5098 -16.5068 -16.5054 -1.4502 -1.4498 -1.3190 -1.3185 3.1042 3.1043 3.9302 3.9307 4.1751 4.1769 4.6234 4.6244 5.0306 5.0338 5.1225 5.1258 6.3034 6.3043 6.6204 6.6214 7.2342 7.2344 7.4681 7.4685 7.9989 7.9993 k = 0.2735 0.4737-0.0000 ( 6701 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3403 -17.3399 -17.2901 -17.2901 -17.0091 -17.0063 -16.9726 -16.9723 -16.9215 -16.9166 -16.8903 -16.8847 -16.8774 -16.8718 -16.8512 -16.8471 -16.5296 -16.5283 -16.5258 -16.5247 -16.5100 -16.5098 -16.5069 -16.5055 -1.4675 -1.4671 -1.3109 -1.3104 3.1121 3.1122 3.9268 3.9272 4.2160 4.2178 4.5733 4.5742 5.0612 5.0645 5.1322 5.1352 6.3495 6.3503 6.5974 6.5986 7.1957 7.1959 7.4645 7.4651 8.0117 8.0129 k = 0.2650 0.4589-0.0000 ( 6693 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3403 -17.3398 -17.2902 -17.2901 -17.0093 -17.0060 -16.9715 -16.9711 -16.9215 -16.9165 -16.8911 -16.8848 -16.8782 -16.8717 -16.8512 -16.8475 -16.5295 -16.5283 -16.5257 -16.5247 -16.5100 -16.5097 -16.5069 -16.5056 -1.4860 -1.4857 -1.3031 -1.3026 3.1235 3.1235 3.9255 3.9257 4.2575 4.2595 4.5221 4.5229 5.0895 5.0928 5.1461 5.1489 6.3992 6.4000 6.5758 6.5771 7.1560 7.1561 7.4548 7.4555 7.9974 8.0034 k = 0.2564 0.4441-0.0000 ( 6691 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6387 -35.6387 -17.3402 -17.3397 -17.2903 -17.2902 -17.0094 -17.0056 -16.9704 -16.9698 -16.9215 -16.9164 -16.8919 -16.8849 -16.8789 -16.8717 -16.8513 -16.8481 -16.5294 -16.5282 -16.5256 -16.5247 -16.5100 -16.5097 -16.5070 -16.5057 -1.5056 -1.5053 -1.2957 -1.2951 3.1386 3.1386 3.9262 3.9263 4.2985 4.3005 4.4709 4.4717 5.1117 5.1149 5.1679 5.1706 6.4516 6.4524 6.5561 6.5576 7.1157 7.1158 7.4396 7.4404 7.9895 7.9904 k = 0.2479 0.4293-0.0000 ( 6687 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6386 -17.3401 -17.3395 -17.2903 -17.2902 -17.0094 -17.0052 -16.9691 -16.9685 -16.9215 -16.9162 -16.8926 -16.8852 -16.8796 -16.8717 -16.8516 -16.8487 -16.5293 -16.5281 -16.5256 -16.5248 -16.5101 -16.5096 -16.5071 -16.5058 -1.5263 -1.5260 -1.2887 -1.2881 3.1576 3.1576 3.9290 3.9291 4.3363 4.3383 4.4219 4.4227 5.1269 5.1298 5.1983 5.2010 6.5055 6.5063 6.5391 6.5410 7.0754 7.0755 7.4203 7.4211 7.9794 7.9802 k = 0.2393 0.4145-0.0000 ( 6679 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6386 -17.3400 -17.3394 -17.2904 -17.2903 -17.0093 -17.0046 -16.9679 -16.9672 -16.9214 -16.9161 -16.8934 -16.8856 -16.8800 -16.8717 -16.8519 -16.8495 -16.5291 -16.5280 -16.5256 -16.5248 -16.5101 -16.5096 -16.5071 -16.5060 -1.5479 -1.5476 -1.2821 -1.2815 3.1808 3.1808 3.9340 3.9343 4.3476 4.3486 4.3981 4.3999 5.1381 5.1406 5.2344 5.2371 6.5245 6.5261 6.5615 6.5619 7.0355 7.0356 7.3979 7.3987 7.9651 7.9652 k = 0.2308 0.3997-0.0000 ( 6697 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6386 -17.3399 -17.3392 -17.2905 -17.2904 -17.0091 -17.0040 -16.9667 -16.9659 -16.9213 -16.9159 -16.8942 -16.8861 -16.8804 -16.8717 -16.8524 -16.8505 -16.5289 -16.5278 -16.5257 -16.5250 -16.5101 -16.5096 -16.5072 -16.5061 -1.5703 -1.5700 -1.2760 -1.2754 3.2082 3.2083 3.9412 3.9417 4.3059 4.3067 4.4256 4.4276 5.1474 5.1496 5.2738 5.2765 6.5139 6.5159 6.6162 6.6168 6.9964 6.9964 7.3734 7.3742 7.9456 7.9462 k = 0.2222 0.3849-0.0000 ( 6689 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6386 -17.3398 -17.3390 -17.2906 -17.2905 -17.0088 -17.0032 -16.9654 -16.9645 -16.9212 -16.9157 -16.8949 -16.8867 -16.8806 -16.8717 -16.8530 -16.8515 -16.5285 -16.5276 -16.5258 -16.5252 -16.5102 -16.5097 -16.5072 -16.5062 -1.5935 -1.5932 -1.2703 -1.2697 3.2399 3.2401 3.9505 3.9514 4.2565 4.2574 4.4588 4.4608 5.1558 5.1578 5.3156 5.3181 6.5068 6.5091 6.6701 6.6707 6.9585 6.9585 7.3477 7.3485 7.9226 7.9234 k = 0.2137 0.3701-0.0000 ( 6697 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6386 -17.3397 -17.3389 -17.2907 -17.2906 -17.0084 -17.0024 -16.9642 -16.9632 -16.9211 -16.9156 -16.8956 -16.8874 -16.8807 -16.8717 -16.8538 -16.8527 -16.5282 -16.5273 -16.5260 -16.5254 -16.5103 -16.5098 -16.5072 -16.5063 -1.6173 -1.6170 -1.2651 -1.2646 3.2760 3.2762 3.9620 3.9633 4.2069 4.2081 4.4900 4.4919 5.1637 5.1654 5.3592 5.3616 6.5033 6.5058 6.7218 6.7224 6.9220 6.9221 7.3214 7.3222 7.8968 7.8978 k = 0.2051 0.3553-0.0000 ( 6699 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6386 -17.3395 -17.3386 -17.2909 -17.2907 -17.0079 -17.0014 -16.9630 -16.9618 -16.9209 -16.9154 -16.8962 -16.8881 -16.8807 -16.8717 -16.8548 -16.8541 -16.5278 -16.5270 -16.5261 -16.5257 -16.5105 -16.5099 -16.5072 -16.5063 -1.6415 -1.6412 -1.2604 -1.2599 3.3164 3.3167 3.9752 3.9772 4.1582 4.1601 4.5180 4.5198 5.1712 5.1727 5.4046 5.4067 6.5033 6.5061 6.7698 6.7706 6.8876 6.8879 7.2950 7.2957 7.8687 7.8699 k = 0.1966 0.3405-0.0000 ( 6695 PWs) bands (ev): -36.0626 -36.0626 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6386 -17.3394 -17.3384 -17.2910 -17.2908 -17.0073 -17.0004 -16.9617 -16.9605 -16.9207 -16.9152 -16.8969 -16.8887 -16.8806 -16.8717 -16.8559 -16.8555 -16.5274 -16.5268 -16.5262 -16.5259 -16.5107 -16.5102 -16.5071 -16.5063 -1.6661 -1.6658 -1.2562 -1.2557 3.3612 3.3615 3.9894 3.9929 4.1110 4.1142 4.5422 4.5439 5.1783 5.1797 5.4516 5.4534 6.5064 6.5096 6.8099 6.8113 6.8585 6.8595 7.2687 7.2694 7.8385 7.8397 k = 0.1880 0.3257-0.0000 ( 6701 PWs) bands (ev): -36.0627 -36.0627 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6386 -17.3392 -17.3382 -17.2911 -17.2909 -17.0065 -16.9992 -16.9606 -16.9592 -16.9204 -16.9150 -16.8974 -16.8894 -16.8805 -16.8717 -16.8571 -16.8571 -16.5269 -16.5268 -16.5263 -16.5261 -16.5110 -16.5105 -16.5069 -16.5062 -1.6908 -1.6906 -1.2525 -1.2519 3.4102 3.4106 4.0014 4.0087 4.0672 4.0740 4.5626 4.5641 5.1851 5.1863 5.5001 5.5017 6.5122 6.5156 6.8124 6.8135 6.8650 6.8657 7.2428 7.2436 7.8056 7.8069 k = 0.1795 0.3109-0.0000 ( 6703 PWs) bands (ev): -36.0627 -36.0627 -36.0484 -36.0484 -35.6388 -35.6388 -35.6386 -35.6385 -17.3390 -17.3380 -17.2912 -17.2911 -17.0057 -16.9980 -16.9594 -16.9579 -16.9201 -16.9148 -16.8980 -16.8900 -16.8803 -16.8717 -16.8588 -16.8585 -16.5270 -16.5266 -16.5263 -16.5257 -16.5113 -16.5108 -16.5067 -16.5061 -1.7156 -1.7154 -1.2492 -1.2486 3.4633 3.4639 3.9957 4.0065 4.0447 4.0550 4.5789 4.5803 5.1916 5.1926 5.5501 5.5514 6.5198 6.5236 6.7868 6.7874 6.8962 6.8964 7.2176 7.2183 7.7691 7.7703 k = 0.1709 0.2961-0.0000 ( 6695 PWs) bands (ev): -36.0627 -36.0627 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3388 -17.3378 -17.2913 -17.2912 -17.0047 -16.9967 -16.9583 -16.9567 -16.9198 -16.9146 -16.8984 -16.8906 -16.8801 -16.8717 -16.8606 -16.8600 -16.5273 -16.5270 -16.5258 -16.5252 -16.5116 -16.5111 -16.5065 -16.5059 -1.7403 -1.7401 -1.2464 -1.2458 3.5206 3.5212 3.9635 3.9696 4.0604 4.0660 4.5914 4.5926 5.1977 5.1986 5.6016 5.6027 6.5284 6.5325 6.7605 6.7609 6.9241 6.9242 7.1929 7.1936 7.7277 7.7287 k = 0.1624 0.2813-0.0000 ( 6691 PWs) bands (ev): -36.0627 -36.0627 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3386 -17.3376 -17.2915 -17.2913 -17.0037 -16.9954 -16.9572 -16.9554 -16.9194 -16.9144 -16.8988 -16.8912 -16.8798 -16.8718 -16.8625 -16.8616 -16.5276 -16.5273 -16.5252 -16.5247 -16.5120 -16.5115 -16.5062 -16.5057 -1.7648 -1.7646 -1.2440 -1.2434 3.5818 3.5825 3.9248 3.9289 4.0832 4.0868 4.6002 4.6013 5.2034 5.2042 5.6546 5.6554 6.5369 6.5413 6.7358 6.7362 6.9463 6.9463 7.1688 7.1696 7.6803 7.6809 k = 0.1538 0.2665-0.0000 ( 6691 PWs) bands (ev): -36.0628 -36.0628 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3384 -17.3374 -17.2916 -17.2914 -17.0025 -16.9940 -16.9561 -16.9543 -16.9190 -16.9141 -16.8992 -16.8917 -16.8796 -16.8719 -16.8644 -16.8634 -16.5279 -16.5277 -16.5246 -16.5242 -16.5124 -16.5120 -16.5060 -16.5055 -1.7889 -1.7887 -1.2419 -1.2414 3.6469 3.6477 3.8859 3.8892 4.1084 4.1110 4.6057 4.6066 5.2088 5.2095 5.7091 5.7097 6.5440 6.5487 6.7136 6.7138 6.9627 6.9627 7.1453 7.1461 7.6260 7.6260 k = 0.1453 0.2517-0.0000 ( 6707 PWs) bands (ev): -36.0628 -36.0628 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3382 -17.3372 -17.2918 -17.2916 -17.0013 -16.9926 -16.9551 -16.9531 -16.9185 -16.9139 -16.8995 -16.8922 -16.8793 -16.8722 -16.8663 -16.8654 -16.5283 -16.5281 -16.5241 -16.5238 -16.5129 -16.5124 -16.5057 -16.5053 -1.8125 -1.8124 -1.2403 -1.2398 3.7157 3.7166 3.8484 3.8511 4.1351 4.1372 4.6082 4.6090 5.2138 5.2144 5.7649 5.7654 6.5485 6.5536 6.6938 6.6940 6.9735 6.9736 7.1222 7.1231 7.5644 7.5651 k = 0.1368 0.2369-0.0000 ( 6711 PWs) bands (ev): -36.0629 -36.0629 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3380 -17.3370 -17.2919 -17.2917 -17.0001 -16.9913 -16.9541 -16.9520 -16.9180 -16.9136 -16.8998 -16.8927 -16.8789 -16.8727 -16.8680 -16.8674 -16.5287 -16.5285 -16.5235 -16.5232 -16.5133 -16.5129 -16.5055 -16.5051 -1.8355 -1.8354 -1.2390 -1.2385 3.7875 3.7885 3.8129 3.8154 4.1630 4.1647 4.6082 4.6089 5.2184 5.2190 5.8222 5.8225 6.5491 6.5545 6.6768 6.6770 6.9795 6.9795 7.0994 7.1003 7.4973 7.4988 k = 0.1282 0.2221-0.0000 ( 6707 PWs) bands (ev): -36.0629 -36.0629 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3378 -17.3368 -17.2920 -17.2918 -16.9987 -16.9899 -16.9531 -16.9509 -16.9175 -16.9134 -16.9000 -16.8932 -16.8785 -16.8738 -16.8695 -16.8692 -16.5291 -16.5289 -16.5229 -16.5227 -16.5138 -16.5133 -16.5052 -16.5048 -1.8578 -1.8576 -1.2380 -1.2375 3.7779 3.7799 3.8644 3.8654 4.1917 4.1932 4.6061 4.6067 5.2226 5.2231 5.8809 5.8811 6.5443 6.5500 6.6628 6.6629 6.9813 6.9814 7.0766 7.0776 7.4267 7.4290 k = 0.1197 0.2073-0.0000 ( 6711 PWs) bands (ev): -36.0629 -36.0629 -36.0484 -36.0484 -35.6387 -35.6387 -35.6385 -35.6385 -17.3376 -17.3366 -17.2922 -17.2920 -16.9973 -16.9885 -16.9520 -16.9499 -16.9169 -16.9131 -16.9002 -16.8936 -16.8781 -16.8755 -16.8717 -16.8699 -16.5294 -16.5293 -16.5223 -16.5222 -16.5142 -16.5138 -16.5049 -16.5045 -1.8791 -1.8790 -1.2373 -1.2368 3.7457 3.7476 3.9434 3.9444 4.2211 4.2224 4.6024 4.6029 5.2264 5.2269 5.9408 5.9411 6.5325 6.5384 6.6518 6.6519 6.9798 6.9798 7.0535 7.0546 7.3554 7.3585 k = 0.1111 0.1925-0.0000 ( 6703 PWs) bands (ev): -36.0629 -36.0629 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3374 -17.3364 -17.2923 -17.2921 -16.9959 -16.9872 -16.9509 -16.9488 -16.9163 -16.9128 -16.9003 -16.8940 -16.8776 -16.8776 -16.8740 -16.8702 -16.5298 -16.5297 -16.5218 -16.5217 -16.5146 -16.5142 -16.5046 -16.5042 -1.8995 -1.8994 -1.2368 -1.2364 3.7155 3.7172 4.0255 4.0266 4.2506 4.2518 4.5976 4.5981 5.2299 5.2303 6.0021 6.0025 6.5119 6.5179 6.6441 6.6441 6.9756 6.9756 7.0298 7.0309 7.2868 7.2907 k = 0.1026 0.1776-0.0000 ( 6701 PWs) bands (ev): -36.0630 -36.0630 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3371 -17.3362 -17.2924 -17.2922 -16.9945 -16.9860 -16.9497 -16.9477 -16.9157 -16.9125 -16.9003 -16.8944 -16.8799 -16.8772 -16.8763 -16.8704 -16.5301 -16.5301 -16.5213 -16.5213 -16.5150 -16.5146 -16.5043 -16.5040 -1.9188 -1.9187 -1.2366 -1.2361 3.6873 3.6889 4.1102 4.1114 4.2801 4.2811 4.5924 4.5928 5.2329 5.2333 6.0645 6.0652 6.4808 6.4867 6.6398 6.6398 6.9695 6.9695 7.0053 7.0064 7.2242 7.2286 k = 0.0940 0.1628-0.0000 ( 6725 PWs) bands (ev): -36.0630 -36.0630 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3370 -17.3361 -17.2925 -17.2923 -16.9931 -16.9849 -16.9486 -16.9467 -16.9151 -16.9122 -16.9004 -16.8948 -16.8823 -16.8789 -16.8767 -16.8705 -16.5305 -16.5305 -16.5208 -16.5208 -16.5154 -16.5151 -16.5040 -16.5037 -1.9369 -1.9368 -1.2365 -1.2361 3.6613 3.6627 4.1970 4.1983 4.3093 4.3102 4.5873 4.5878 5.2355 5.2359 6.1278 6.1290 6.4375 6.4429 6.6390 6.6391 6.9620 6.9621 6.9802 6.9811 7.1703 7.1751 k = 0.0855 0.1480-0.0000 ( 6721 PWs) bands (ev): -36.0630 -36.0630 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3367 -17.3359 -17.2926 -17.2924 -16.9916 -16.9838 -16.9474 -16.9456 -16.9145 -16.9118 -16.9004 -16.8952 -16.8848 -16.8814 -16.8762 -16.8706 -16.5309 -16.5308 -16.5204 -16.5203 -16.5158 -16.5155 -16.5037 -16.5035 -1.9537 -1.9536 -1.2365 -1.2361 3.6373 3.6386 4.2843 4.2856 4.3383 4.3392 4.5836 4.5841 5.2378 5.2382 6.1913 6.1939 6.3822 6.3860 6.6420 6.6421 6.9538 6.9538 6.9553 6.9560 7.1265 7.1312 k = 0.0769 0.1332-0.0000 ( 6719 PWs) bands (ev): -36.0630 -36.0630 -36.0484 -36.0484 -35.6386 -35.6386 -35.6385 -35.6385 -17.3366 -17.3358 -17.2927 -17.2925 -16.9903 -16.9829 -16.9461 -16.9446 -16.9138 -16.9115 -16.9004 -16.8956 -16.8872 -16.8839 -16.8757 -16.8707 -16.5312 -16.5312 -16.5200 -16.5199 -16.5161 -16.5158 -16.5035 -16.5032 -1.9692 -1.9691 -1.2367 -1.2363 3.6156 3.6168 4.3564 4.3572 4.3802 4.3815 4.5836 4.5843 5.2398 5.2402 6.2478 6.2578 6.3182 6.3221 6.6488 6.6490 6.9320 6.9323 6.9453 6.9453 7.0919 7.0964 k = 0.0684 0.1184-0.0000 ( 6713 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6386 -35.6386 -35.6384 -35.6384 -17.3364 -17.3357 -17.2928 -17.2926 -16.9889 -16.9822 -16.9447 -16.9435 -16.9131 -16.9111 -16.9003 -16.8959 -16.8896 -16.8864 -16.8752 -16.8707 -16.5315 -16.5315 -16.5197 -16.5195 -16.5163 -16.5161 -16.5032 -16.5030 -1.9832 -1.9831 -1.2369 -1.2366 3.5961 3.5972 4.3858 4.3864 4.4545 4.4555 4.5951 4.5963 5.2415 5.2419 6.2183 6.2305 6.3312 6.3376 6.6596 6.6598 6.9114 6.9114 6.9368 6.9368 7.0648 7.0689 k = 0.0598 0.1036-0.0000 ( 6715 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3362 -17.3356 -17.2928 -17.2927 -16.9876 -16.9816 -16.9434 -16.9424 -16.9124 -16.9106 -16.9002 -16.8963 -16.8919 -16.8889 -16.8748 -16.8708 -16.5318 -16.5317 -16.5194 -16.5192 -16.5165 -16.5164 -16.5030 -16.5028 -1.9958 -1.9957 -1.2371 -1.2369 3.5789 3.5798 4.4087 4.4092 4.5044 4.5047 4.6382 4.6402 5.2429 5.2433 6.1322 6.1407 6.3984 6.4014 6.6745 6.6747 6.8940 6.8940 6.9287 6.9287 7.0431 7.0469 k = 0.0513 0.0888-0.0000 ( 6731 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6385 -35.6385 -17.3361 -17.3355 -17.2929 -17.2928 -16.9865 -16.9811 -16.9421 -16.9414 -16.9118 -16.9102 -16.9001 -16.8967 -16.8942 -16.8914 -16.8743 -16.8710 -16.5320 -16.5320 -16.5193 -16.5190 -16.5167 -16.5166 -16.5028 -16.5027 -2.0067 -2.0067 -1.2374 -1.2372 3.5639 3.5647 4.4282 4.4286 4.5220 4.5220 4.7171 4.7195 5.2441 5.2445 6.0361 6.0430 6.4674 6.4693 6.6934 6.6936 6.8798 6.8800 6.9212 6.9212 7.0251 7.0287 k = 0.0427 0.0740-0.0000 ( 6733 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3359 -17.3354 -17.2930 -17.2929 -16.9853 -16.9808 -16.9409 -16.9404 -16.9110 -16.9097 -16.9000 -16.8970 -16.8963 -16.8938 -16.8739 -16.8711 -16.5322 -16.5322 -16.5191 -16.5189 -16.5168 -16.5167 -16.5027 -16.5025 -2.0161 -2.0161 -1.2377 -1.2375 3.5512 3.5519 4.4440 4.4444 4.5276 4.5276 4.8110 4.8137 5.2452 5.2457 5.9347 5.9406 6.5371 6.5383 6.7163 6.7166 6.8686 6.8688 6.9145 6.9145 7.0094 7.0129 k = 0.0342 0.0592-0.0000 ( 6737 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3358 -17.3354 -17.2930 -17.2930 -16.9844 -16.9807 -16.9398 -16.9395 -16.9102 -16.9092 -16.8999 -16.8981 -16.8974 -16.8961 -16.8735 -16.8712 -16.5324 -16.5324 -16.5190 -16.5188 -16.5168 -16.5168 -16.5025 -16.5024 -2.0239 -2.0238 -1.2380 -1.2378 3.5408 3.5413 4.4560 4.4563 4.5306 4.5307 4.9099 4.9128 5.2464 5.2470 5.8305 5.8356 6.6071 6.6078 6.7429 6.7432 6.8601 6.8603 6.9088 6.9088 6.9945 6.9980 k = 0.0256 0.0444-0.0000 ( 6729 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3357 -17.3354 -17.2930 -17.2930 -16.9835 -16.9807 -16.9388 -16.9387 -16.9093 -16.9086 -16.9005 -16.8990 -16.8984 -16.8975 -16.8731 -16.8714 -16.5325 -16.5325 -16.5190 -16.5188 -16.5168 -16.5168 -16.5024 -16.5023 -2.0299 -2.0299 -1.2382 -1.2381 3.5327 3.5331 4.4641 4.4643 4.5335 4.5335 5.0094 5.0125 5.2483 5.2490 5.7257 5.7302 6.6767 6.6768 6.7726 6.7729 6.8539 6.8540 6.9042 6.9043 6.9782 6.9817 k = 0.0171 0.0296-0.0000 ( 6709 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3356 -17.3354 -17.2930 -17.2930 -16.9827 -16.9808 -16.9381 -16.9381 -16.9083 -16.9080 -16.9017 -16.9002 -16.8990 -16.8979 -16.8727 -16.8716 -16.5326 -16.5326 -16.5189 -16.5188 -16.5168 -16.5168 -16.5023 -16.5022 -2.0343 -2.0342 -1.2383 -1.2382 3.5270 3.5272 4.4690 4.4691 4.5362 4.5362 5.1042 5.1075 5.2526 5.2536 5.6241 5.6278 6.7443 6.7447 6.8037 6.8040 6.8498 6.8499 6.9009 6.9010 6.9566 6.9601 k = 0.0085 0.0148-0.0000 ( 6677 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3354 -17.3353 -17.2930 -17.2930 -16.9820 -16.9810 -16.9376 -16.9376 -16.9074 -16.9073 -16.9025 -16.9017 -16.8987 -16.8982 -16.8723 -16.8718 -16.5326 -16.5326 -16.5189 -16.5188 -16.5167 -16.5167 -16.5022 -16.5021 -2.0369 -2.0369 -1.2384 -1.2384 3.5235 3.5237 4.4715 4.4715 4.5383 4.5383 5.1786 5.1811 5.2671 5.2678 5.5347 5.5372 6.8071 6.8081 6.8308 6.8311 6.8486 6.8487 6.8989 6.8990 6.9255 6.9285 k = 0.0000 0.0000 0.0000 ( 6653 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3354 -17.3354 -17.2929 -17.2929 -16.9814 -16.9814 -16.9374 -16.9374 -16.9070 -16.9070 -16.9026 -16.9026 -16.8984 -16.8984 -16.8720 -16.8720 -16.5326 -16.5326 -16.5188 -16.5188 -16.5166 -16.5166 -16.5021 -16.5021 -2.0377 -2.0377 -1.2384 -1.2384 3.5224 3.5224 4.4723 4.4723 4.5391 4.5391 5.2042 5.2042 5.2869 5.2869 5.4916 5.4916 6.8403 6.8403 6.8473 6.8473 6.8518 6.8518 6.8974 6.8974 6.8993 6.8993 k = 0.0000 0.0000 0.0000 ( 6653 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3354 -17.3354 -17.2929 -17.2929 -16.9814 -16.9814 -16.9374 -16.9374 -16.9070 -16.9070 -16.9026 -16.9026 -16.8984 -16.8984 -16.8720 -16.8720 -16.5326 -16.5326 -16.5188 -16.5188 -16.5166 -16.5166 -16.5021 -16.5021 -2.0377 -2.0377 -1.2384 -1.2384 3.5224 3.5224 4.4723 4.4723 4.5391 4.5391 5.2042 5.2042 5.2869 5.2869 5.4916 5.4916 6.8403 6.8403 6.8473 6.8473 6.8518 6.8518 6.8974 6.8974 6.8993 6.8993 k = 0.0000 0.0000 0.0175 ( 6677 PWs) bands (ev): -36.0631 -36.0631 -36.0484 -36.0484 -35.6385 -35.6385 -35.6384 -35.6384 -17.3353 -17.3353 -17.2930 -17.2930 -16.9813 -16.9813 -16.9374 -16.9374 -16.9071 -16.9071 -16.9026 -16.9026 -16.8985 -16.8985 -16.8721 -16.8721 -16.5326 -16.5326 -16.5188 -16.5188 -16.5167 -16.5167 -16.5022 -16.5022 -2.0368 -2.0368 -1.2395 -1.2395 3.5238 3.5238 4.4728 4.4728 4.5397 4.5397 5.2025 5.2025 5.2851 5.2851 5.4917 5.4917 6.7926 6.7926 6.8410 6.8410 6.8524 6.8524 6.8990 6.8990 6.9008 6.9008 k = 0.0000 0.0000 0.0349 ( 6677 PWs) bands (ev): -36.0631 -36.0631 -36.0485 -36.0485 -35.6385 -35.6385 -35.6384 -35.6384 -17.3350 -17.3350 -17.2931 -17.2931 -16.9811 -16.9811 -16.9373 -16.9373 -16.9072 -16.9072 -16.9025 -16.9025 -16.8988 -16.8988 -16.8724 -16.8724 -16.5325 -16.5325 -16.5188 -16.5188 -16.5167 -16.5167 -16.5022 -16.5022 -2.0340 -2.0340 -1.2428 -1.2428 3.5280 3.5280 4.4746 4.4746 4.5414 4.5414 5.1974 5.1974 5.2799 5.2799 5.4918 5.4918 6.6864 6.6864 6.8430 6.8430 6.8544 6.8544 6.9037 6.9037 6.9053 6.9053 k = 0.0000 0.0000 0.0524 ( 6689 PWs) bands (ev): -36.0630 -36.0630 -36.0486 -36.0486 -35.6385 -35.6385 -35.6384 -35.6384 -17.3346 -17.3346 -17.2933 -17.2933 -16.9807 -16.9807 -16.9371 -16.9371 -16.9074 -16.9074 -16.9024 -16.9024 -16.8992 -16.8992 -16.8729 -16.8729 -16.5325 -16.5325 -16.5187 -16.5187 -16.5169 -16.5169 -16.5024 -16.5024 -2.0293 -2.0293 -1.2483 -1.2483 3.5351 3.5351 4.4775 4.4775 4.5444 4.5444 5.1891 5.1891 5.2713 5.2713 5.4912 5.4912 6.5714 6.5714 6.8463 6.8463 6.8578 6.8578 6.9113 6.9113 6.9127 6.9127 k = 0.0000 0.0000 0.0698 ( 6683 PWs) bands (ev): -36.0629 -36.0629 -36.0487 -36.0487 -35.6385 -35.6385 -35.6384 -35.6384 -17.3340 -17.3340 -17.2935 -17.2935 -16.9800 -16.9800 -16.9369 -16.9369 -16.9077 -16.9077 -16.9022 -16.9022 -16.8998 -16.8998 -16.8735 -16.8735 -16.5323 -16.5323 -16.5185 -16.5185 -16.5170 -16.5170 -16.5025 -16.5025 -2.0229 -2.0229 -1.2559 -1.2559 3.5450 3.5450 4.4816 4.4816 4.5484 4.5484 5.1776 5.1776 5.2596 5.2596 5.4889 5.4889 6.4584 6.4584 6.8510 6.8510 6.8625 6.8625 6.9217 6.9217 6.9227 6.9227 k = 0.0000 0.0000 0.0873 ( 6719 PWs) bands (ev): -36.0627 -36.0627 -36.0489 -36.0489 -35.6385 -35.6385 -35.6384 -35.6384 -17.3333 -17.3333 -17.2938 -17.2938 -16.9794 -16.9794 -16.9367 -16.9367 -16.9081 -16.9081 -16.9021 -16.9021 -16.9006 -16.9006 -16.8743 -16.8743 -16.5322 -16.5322 -16.5184 -16.5184 -16.5172 -16.5172 -16.5027 -16.5027 -2.0145 -2.0145 -1.2657 -1.2657 3.5578 3.5578 4.4869 4.4869 4.5537 4.5537 5.1632 5.1632 5.2449 5.2449 5.4831 5.4831 6.3524 6.3524 6.8569 6.8569 6.8684 6.8684 6.9342 6.9342 6.9348 6.9348 k = 0.0000 0.0000 0.1047 ( 6743 PWs) bands (ev): -36.0625 -36.0625 -36.0491 -36.0491 -35.6385 -35.6385 -35.6385 -35.6385 -17.3325 -17.3325 -17.2941 -17.2941 -16.9785 -16.9785 -16.9363 -16.9363 -16.9086 -16.9086 -16.9018 -16.9018 -16.9015 -16.9015 -16.8752 -16.8752 -16.5320 -16.5320 -16.5182 -16.5182 -16.5175 -16.5175 -16.5030 -16.5030 -2.0045 -2.0045 -1.2774 -1.2774 3.5735 3.5735 4.4933 4.4933 4.5601 4.5601 5.1462 5.1462 5.2275 5.2275 5.4712 5.4712 6.2571 6.2571 6.8641 6.8641 6.8755 6.8755 6.9486 6.9486 6.9487 6.9487 k = 0.0000 0.0000 0.1222 ( 6725 PWs) bands (ev): -36.0622 -36.0622 -36.0493 -36.0493 -35.6385 -35.6385 -35.6384 -35.6384 -17.3315 -17.3315 -17.2944 -17.2944 -16.9774 -16.9774 -16.9357 -16.9357 -16.9091 -16.9091 -16.9026 -16.9026 -16.9014 -16.9014 -16.8762 -16.8762 -16.5317 -16.5317 -16.5179 -16.5179 -16.5177 -16.5177 -16.5033 -16.5033 -1.9926 -1.9926 -1.2912 -1.2912 3.5924 3.5924 4.5009 4.5009 4.5678 4.5678 5.1269 5.1269 5.2079 5.2079 5.4499 5.4499 6.1765 6.1765 6.8725 6.8725 6.8838 6.8838 6.9640 6.9640 6.9644 6.9644 k = 0.0000 0.0000 0.1396 ( 6737 PWs) bands (ev): -36.0620 -36.0620 -36.0496 -36.0496 -35.6385 -35.6385 -35.6385 -35.6385 -17.3303 -17.3303 -17.2949 -17.2949 -16.9761 -16.9761 -16.9352 -16.9352 -16.9097 -16.9097 -16.9040 -16.9040 -16.9011 -16.9011 -16.8773 -16.8773 -16.5314 -16.5314 -16.5180 -16.5180 -16.5177 -16.5177 -16.5036 -16.5036 -1.9791 -1.9791 -1.3068 -1.3068 3.6144 3.6144 4.5097 4.5097 4.5766 4.5766 5.1054 5.1054 5.1862 5.1862 5.4160 5.4160 6.1143 6.1143 6.8819 6.8819 6.8932 6.8932 6.9705 6.9705 6.9800 6.9801 k = 0.0000 0.0000 0.1571 ( 6749 PWs) bands (ev): -36.0617 -36.0617 -36.0499 -36.0499 -35.6385 -35.6385 -35.6385 -35.6385 -17.3291 -17.3291 -17.2953 -17.2953 -16.9747 -16.9747 -16.9346 -16.9346 -16.9103 -16.9103 -16.9056 -16.9056 -16.9006 -16.9006 -16.8785 -16.8785 -16.5311 -16.5311 -16.5183 -16.5183 -16.5174 -16.5174 -16.5040 -16.5040 -1.9640 -1.9640 -1.3242 -1.3242 3.6395 3.6395 4.5197 4.5197 4.5865 4.5865 5.0820 5.0820 5.1628 5.1628 5.3676 5.3676 6.0726 6.0726 6.8923 6.8923 6.9036 6.9036 6.9609 6.9609 6.9963 6.9963 k = 0.0000 0.0000 0.1745 ( 6725 PWs) bands (ev): -36.0614 -36.0614 -36.0502 -36.0502 -35.6385 -35.6385 -35.6384 -35.6384 -17.3276 -17.3276 -17.2959 -17.2959 -16.9730 -16.9730 -16.9340 -16.9340 -16.9110 -16.9110 -16.9074 -16.9074 -16.9001 -16.9001 -16.8796 -16.8796 -16.5307 -16.5307 -16.5187 -16.5187 -16.5169 -16.5169 -16.5044 -16.5044 -1.9472 -1.9472 -1.3432 -1.3432 3.6680 3.6680 4.5308 4.5308 4.5977 4.5977 5.0569 5.0569 5.1380 5.1380 5.3053 5.3053 6.0511 6.0511 6.9038 6.9038 6.9150 6.9150 6.9478 6.9478 7.0123 7.0123 k = 0.0000 0.0000 0.1920 ( 6725 PWs) bands (ev): -36.0610 -36.0610 -36.0506 -36.0506 -35.6385 -35.6385 -35.6384 -35.6384 -17.3262 -17.3262 -17.2965 -17.2965 -16.9712 -16.9712 -16.9333 -16.9333 -16.9117 -16.9117 -16.9095 -16.9095 -16.8996 -16.8996 -16.8808 -16.8808 -16.5303 -16.5303 -16.5190 -16.5190 -16.5166 -16.5166 -16.5048 -16.5048 -1.9290 -1.9290 -1.3639 -1.3639 3.6998 3.6998 4.5430 4.5430 4.6099 4.6099 5.0301 5.0301 5.1122 5.1122 5.2320 5.2320 6.0471 6.0471 6.9156 6.9156 6.9272 6.9272 6.9310 6.9310 7.0275 7.0275 k = 0.0000 0.0000 0.2094 ( 6719 PWs) bands (ev): -36.0606 -36.0606 -36.0510 -36.0510 -35.6385 -35.6385 -35.6384 -35.6384 -17.3246 -17.3246 -17.2972 -17.2972 -16.9693 -16.9693 -16.9325 -16.9325 -16.9125 -16.9125 -16.9117 -16.9117 -16.8990 -16.8990 -16.8819 -16.8819 -16.5298 -16.5298 -16.5194 -16.5194 -16.5162 -16.5162 -16.5053 -16.5053 -1.9093 -1.9093 -1.3860 -1.3860 3.7351 3.7351 4.5564 4.5564 4.6234 4.6234 5.0011 5.0011 5.0855 5.0855 5.1520 5.1520 6.0573 6.0573 6.9081 6.9081 6.9297 6.9297 6.9401 6.9401 7.0414 7.0415 k = 0.0000 0.0000 0.2269 ( 6719 PWs) bands (ev): -36.0602 -36.0602 -36.0514 -36.0514 -35.6385 -35.6385 -35.6384 -35.6384 -17.3231 -17.3231 -17.2980 -17.2980 -16.9672 -16.9672 -16.9316 -16.9316 -16.9141 -16.9141 -16.9134 -16.9134 -16.8984 -16.8984 -16.8831 -16.8831 -16.5294 -16.5294 -16.5199 -16.5199 -16.5157 -16.5157 -16.5058 -16.5058 -1.8883 -1.8883 -1.4094 -1.4094 3.7739 3.7739 4.5710 4.5710 4.6379 4.6379 4.9680 4.9680 5.0582 5.0582 5.0707 5.0707 6.0783 6.0783 6.8822 6.8822 6.9429 6.9429 6.9535 6.9535 7.0537 7.0537 k = 0.0000 0.0000 0.2443 ( 6713 PWs) bands (ev): -36.0598 -36.0598 -36.0518 -36.0518 -35.6385 -35.6385 -35.6384 -35.6384 -17.3214 -17.3214 -17.2988 -17.2988 -16.9649 -16.9649 -16.9308 -16.9308 -16.9168 -16.9168 -16.9143 -16.9143 -16.8978 -16.8978 -16.8841 -16.8841 -16.5289 -16.5289 -16.5203 -16.5203 -16.5152 -16.5152 -16.5063 -16.5063 -1.8660 -1.8660 -1.4339 -1.4339 3.8163 3.8163 4.5867 4.5867 4.6537 4.6537 4.9229 4.9229 4.9985 4.9985 5.0306 5.0306 6.1075 6.1075 6.8516 6.8516 6.9569 6.9569 6.9673 6.9673 7.0639 7.0639 k = 0.0000 0.0000 0.2618 ( 6713 PWs) bands (ev): -36.0593 -36.0593 -36.0523 -36.0523 -35.6385 -35.6385 -35.6384 -35.6384 -17.3198 -17.3198 -17.2997 -17.2997 -16.9625 -16.9625 -16.9298 -16.9298 -16.9196 -16.9196 -16.9153 -16.9153 -16.8971 -16.8971 -16.8852 -16.8852 -16.5284 -16.5284 -16.5208 -16.5208 -16.5147 -16.5147 -16.5068 -16.5068 -1.8425 -1.8425 -1.4595 -1.4595 3.8623 3.8623 4.6034 4.6034 4.6705 4.6705 4.8545 4.8545 4.9489 4.9489 5.0028 5.0028 6.1432 6.1432 6.8165 6.8165 6.9711 6.9711 6.9814 6.9814 7.0719 7.0719 k = 0.0000 0.0000 0.2793 ( 6713 PWs) bands (ev): -36.0589 -36.0589 -36.0527 -36.0527 -35.6385 -35.6385 -35.6384 -35.6384 -17.3181 -17.3181 -17.3008 -17.3008 -16.9599 -16.9599 -16.9289 -16.9289 -16.9226 -16.9226 -16.9163 -16.9163 -16.8964 -16.8964 -16.8862 -16.8862 -16.5279 -16.5279 -16.5213 -16.5213 -16.5142 -16.5142 -16.5074 -16.5074 -1.8180 -1.8180 -1.4860 -1.4860 3.9119 3.9119 4.6213 4.6213 4.6884 4.6884 4.7722 4.7722 4.9137 4.9137 4.9751 4.9751 6.1839 6.1839 6.7773 6.7773 6.9853 6.9854 6.9955 6.9955 7.0774 7.0775 k = 0.0000 0.0000 0.2967 ( 6708 PWs) bands (ev): -36.0584 -36.0584 -36.0532 -36.0532 -35.6385 -35.6385 -35.6384 -35.6384 -17.3164 -17.3164 -17.3018 -17.3018 -16.9572 -16.9572 -16.9279 -16.9279 -16.9257 -16.9257 -16.9173 -16.9173 -16.8957 -16.8957 -16.8872 -16.8872 -16.5273 -16.5273 -16.5218 -16.5218 -16.5137 -16.5137 -16.5079 -16.5079 -1.7925 -1.7925 -1.5132 -1.5132 3.9652 3.9652 4.6403 4.6403 4.6868 4.6868 4.7074 4.7074 4.8833 4.8833 4.9476 4.9476 6.2285 6.2285 6.7344 6.7344 6.9995 6.9995 7.0094 7.0094 7.0805 7.0805 k = 0.0000 0.0000 0.3142 ( 6702 PWs) bands (ev): -36.0579 -36.0579 -36.0537 -36.0537 -35.6385 -35.6385 -35.6384 -35.6384 -17.3147 -17.3147 -17.3030 -17.3030 -16.9543 -16.9543 -16.9288 -16.9288 -16.9269 -16.9269 -16.9183 -16.9183 -16.8950 -16.8950 -16.8882 -16.8882 -16.5268 -16.5268 -16.5223 -16.5223 -16.5131 -16.5131 -16.5085 -16.5085 -1.7661 -1.7661 -1.5410 -1.5410 4.0221 4.0221 4.6019 4.6019 4.6603 4.6603 4.7274 4.7274 4.8547 4.8547 4.9204 4.9204 6.2762 6.2762 6.6883 6.6883 7.0133 7.0133 7.0230 7.0230 7.0810 7.0810 k = 0.0000 0.0000 0.3316 ( 6702 PWs) bands (ev): -36.0574 -36.0574 -36.0542 -36.0542 -35.6385 -35.6385 -35.6385 -35.6385 -17.3131 -17.3131 -17.3043 -17.3043 -16.9513 -16.9513 -16.9321 -16.9321 -16.9258 -16.9258 -16.9194 -16.9194 -16.8942 -16.8942 -16.8891 -16.8891 -16.5262 -16.5262 -16.5228 -16.5228 -16.5126 -16.5126 -16.5090 -16.5090 -1.7391 -1.7391 -1.5693 -1.5693 4.0827 4.0827 4.5188 4.5188 4.6814 4.6814 4.7485 4.7485 4.8273 4.8273 4.8937 4.8937 6.3262 6.3262 6.6396 6.6396 7.0265 7.0265 7.0359 7.0359 7.0790 7.0790 k = 0.0000 0.0000 0.3491 ( 6720 PWs) bands (ev): -36.0569 -36.0569 -36.0548 -36.0548 -35.6385 -35.6385 -35.6385 -35.6385 -17.3115 -17.3115 -17.3056 -17.3056 -16.9483 -16.9483 -16.9354 -16.9354 -16.9248 -16.9248 -16.9205 -16.9205 -16.8934 -16.8934 -16.8901 -16.8901 -16.5257 -16.5257 -16.5234 -16.5234 -16.5120 -16.5120 -16.5097 -16.5097 -1.7115 -1.7115 -1.5978 -1.5978 4.1470 4.1470 4.4382 4.4382 4.7034 4.7034 4.7706 4.7706 4.8008 4.8008 4.8676 4.8676 6.3779 6.3779 6.5888 6.5888 7.0389 7.0389 7.0480 7.0480 7.0747 7.0747 k = 0.0000 0.0000 0.3665 ( 6708 PWs) bands (ev): -36.0563 -36.0563 -36.0553 -36.0553 -35.6385 -35.6385 -35.6385 -35.6385 -17.3099 -17.3099 -17.3070 -17.3070 -16.9451 -16.9451 -16.9386 -16.9386 -16.9237 -16.9237 -16.9215 -16.9215 -16.8926 -16.8926 -16.8909 -16.8909 -16.5251 -16.5251 -16.5239 -16.5239 -16.5114 -16.5114 -16.5102 -16.5102 -1.6834 -1.6834 -1.6264 -1.6264 4.2147 4.2147 4.3605 4.3605 4.7264 4.7264 4.7751 4.7751 4.7935 4.7935 4.8421 4.8421 6.4306 6.4306 6.5367 6.5367 7.0502 7.0502 7.0589 7.0600 7.0684 7.0684 k = 0.0000 0.0000 0.3840 ( 6702 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3084 -17.3084 -17.3084 -17.3084 -16.9419 -16.9419 -16.9419 -16.9419 -16.9226 -16.9226 -16.9226 -16.9226 -16.8918 -16.8918 -16.8918 -16.8918 -16.5245 -16.5245 -16.5245 -16.5245 -16.5108 -16.5108 -16.5108 -16.5108 -1.6550 -1.6550 -1.6550 -1.6550 4.2860 4.2860 4.2860 4.2860 4.7503 4.7503 4.7503 4.7503 4.8174 4.8174 4.8174 4.8174 6.4837 6.4837 6.4837 6.4837 7.0601 7.0601 7.0603 7.0604 7.0684 7.0684 k = 0.0000 0.0000 0.3840 ( 6702 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3084 -17.3084 -17.3084 -17.3084 -16.9419 -16.9419 -16.9419 -16.9419 -16.9226 -16.9226 -16.9226 -16.9226 -16.8918 -16.8918 -16.8918 -16.8918 -16.5245 -16.5245 -16.5245 -16.5245 -16.5108 -16.5108 -16.5108 -16.5108 -1.6550 -1.6550 -1.6550 -1.6550 4.2860 4.2860 4.2860 4.2860 4.7503 4.7503 4.7503 4.7503 4.8174 4.8174 4.8174 4.8174 6.4837 6.4837 6.4837 6.4837 7.0601 7.0601 7.0602 7.0603 7.0684 7.0684 k = 0.0152 0.0087 0.3840 ( 6706 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3084 -17.3084 -17.3084 -17.3084 -16.9424 -16.9424 -16.9415 -16.9415 -16.9227 -16.9227 -16.9227 -16.9227 -16.8921 -16.8921 -16.8912 -16.8912 -16.5245 -16.5245 -16.5245 -16.5245 -16.5108 -16.5108 -16.5108 -16.5108 -1.6544 -1.6544 -1.6544 -1.6544 4.2775 4.2775 4.2780 4.2780 4.7531 4.7531 4.7538 4.7538 4.8207 4.8207 4.8207 4.8207 6.4872 6.4872 6.4874 6.4874 7.0602 7.0602 7.0604 7.0604 7.0686 7.0686 k = 0.0303 0.0175 0.3840 ( 6710 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3085 -17.3085 -17.3084 -17.3084 -16.9430 -16.9430 -16.9412 -16.9412 -16.9230 -16.9230 -16.9230 -16.9230 -16.8921 -16.8921 -16.8903 -16.8903 -16.5246 -16.5246 -16.5246 -16.5246 -16.5108 -16.5108 -16.5107 -16.5107 -1.6526 -1.6526 -1.6526 -1.6526 4.2540 4.2540 4.2550 4.2550 4.7603 4.7603 4.7613 4.7613 4.8312 4.8312 4.8314 4.8314 6.4978 6.4978 6.4982 6.4982 7.0600 7.0600 7.0600 7.0602 7.0695 7.0695 k = 0.0455 0.0262 0.3840 ( 6702 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3085 -17.3085 -17.3083 -17.3083 -16.9438 -16.9438 -16.9411 -16.9411 -16.9236 -16.9236 -16.9234 -16.9234 -16.8918 -16.8918 -16.8892 -16.8892 -16.5247 -16.5247 -16.5246 -16.5246 -16.5108 -16.5108 -16.5106 -16.5106 -1.6496 -1.6496 -1.6496 -1.6496 4.2185 4.2185 4.2198 4.2198 4.7681 4.7682 4.7693 4.7693 4.8495 4.8495 4.8501 4.8501 6.5153 6.5153 6.5160 6.5160 7.0588 7.0588 7.0589 7.0589 7.0722 7.0722 k = 0.0606 0.0350 0.3840 ( 6688 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3085 -17.3085 -17.3083 -17.3083 -16.9446 -16.9446 -16.9410 -16.9410 -16.9242 -16.9242 -16.9239 -16.9239 -16.8911 -16.8911 -16.8880 -16.8880 -16.5247 -16.5247 -16.5247 -16.5247 -16.5106 -16.5106 -16.5104 -16.5104 -1.6455 -1.6455 -1.6454 -1.6454 4.1745 4.1745 4.1759 4.1759 4.7748 4.7748 4.7758 4.7758 4.8742 4.8742 4.8752 4.8752 6.5394 6.5394 6.5403 6.5403 7.0566 7.0566 7.0567 7.0567 7.0768 7.0768 k = 0.0758 0.0437 0.3840 ( 6692 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3086 -17.3086 -17.3083 -17.3083 -16.9455 -16.9455 -16.9411 -16.9411 -16.9251 -16.9251 -16.9245 -16.9245 -16.8903 -16.8903 -16.8866 -16.8866 -16.5249 -16.5249 -16.5249 -16.5249 -16.5105 -16.5105 -16.5103 -16.5103 -1.6402 -1.6402 -1.6402 -1.6402 4.1246 4.1246 4.1261 4.1261 4.7803 4.7803 4.7811 4.7811 4.9026 4.9026 4.9039 4.9039 6.5694 6.5694 6.5705 6.5705 7.0541 7.0541 7.0541 7.0541 7.0830 7.0830 k = 0.0909 0.0525 0.3840 ( 6694 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3086 -17.3086 -17.3083 -17.3083 -16.9466 -16.9466 -16.9414 -16.9414 -16.9260 -16.9260 -16.9251 -16.9251 -16.8893 -16.8893 -16.8850 -16.8850 -16.5250 -16.5250 -16.5250 -16.5250 -16.5104 -16.5104 -16.5101 -16.5101 -1.6339 -1.6339 -1.6338 -1.6338 4.0709 4.0709 4.0725 4.0725 4.7851 4.7851 4.7859 4.7859 4.9321 4.9321 4.9336 4.9336 6.6045 6.6045 6.6058 6.6058 7.0519 7.0519 7.0520 7.0520 7.0908 7.0908 k = 0.1061 0.0612 0.3840 ( 6690 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3087 -17.3087 -17.3083 -17.3083 -16.9477 -16.9477 -16.9418 -16.9418 -16.9269 -16.9269 -16.9257 -16.9257 -16.8880 -16.8880 -16.8835 -16.8835 -16.5252 -16.5252 -16.5252 -16.5252 -16.5102 -16.5102 -16.5099 -16.5099 -1.6265 -1.6265 -1.6264 -1.6264 4.0148 4.0148 4.0164 4.0164 4.7898 4.7898 4.7904 4.7904 4.9609 4.9609 4.9627 4.9627 6.6432 6.6432 6.6447 6.6447 7.0514 7.0514 7.0514 7.0515 7.1001 7.1001 k = 0.1212 0.0700 0.3840 ( 6690 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3087 -17.3087 -17.3083 -17.3083 -16.9489 -16.9489 -16.9425 -16.9425 -16.9278 -16.9278 -16.9263 -16.9263 -16.8867 -16.8867 -16.8818 -16.8818 -16.5254 -16.5254 -16.5253 -16.5253 -16.5100 -16.5100 -16.5097 -16.5097 -1.6181 -1.6181 -1.6180 -1.6180 3.9575 3.9575 3.9590 3.9590 4.7946 4.7946 4.7951 4.7951 4.9880 4.9880 4.9898 4.9898 6.6834 6.6834 6.6850 6.6850 7.0544 7.0544 7.0544 7.0544 7.1109 7.1109 k = 0.1364 0.0787 0.3840 ( 6686 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3088 -17.3088 -17.3083 -17.3083 -16.9502 -16.9502 -16.9432 -16.9432 -16.9287 -16.9287 -16.9269 -16.9269 -16.8853 -16.8853 -16.8802 -16.8802 -16.5255 -16.5255 -16.5255 -16.5255 -16.5098 -16.5098 -16.5095 -16.5095 -1.6088 -1.6088 -1.6087 -1.6087 3.8997 3.8997 3.9012 3.9012 4.7995 4.7995 4.8000 4.8000 5.0127 5.0127 5.0145 5.0145 6.7220 6.7220 6.7237 6.7237 7.0635 7.0635 7.0635 7.0635 7.1230 7.1230 k = 0.1515 0.0875 0.3840 ( 6674 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3088 -17.3088 -17.3083 -17.3083 -16.9515 -16.9515 -16.9442 -16.9442 -16.9294 -16.9294 -16.9274 -16.9274 -16.8837 -16.8837 -16.8785 -16.8785 -16.5257 -16.5257 -16.5257 -16.5257 -16.5096 -16.5096 -16.5093 -16.5093 -1.5987 -1.5987 -1.5986 -1.5986 3.8420 3.8420 3.8434 3.8434 4.8046 4.8046 4.8050 4.8050 5.0346 5.0346 5.0364 5.0364 6.7550 6.7550 6.7568 6.7568 7.0825 7.0825 7.0825 7.0825 7.1366 7.1366 k = 0.1667 0.0962 0.3840 ( 6682 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3089 -17.3089 -17.3083 -17.3083 -16.9529 -16.9529 -16.9454 -16.9454 -16.9300 -16.9300 -16.9279 -16.9279 -16.8822 -16.8822 -16.8768 -16.8768 -16.5259 -16.5259 -16.5258 -16.5258 -16.5095 -16.5095 -16.5091 -16.5091 -1.5877 -1.5877 -1.5876 -1.5876 3.7848 3.7848 3.7862 3.7862 4.8100 4.8100 4.8104 4.8104 5.0534 5.0534 5.0552 5.0552 6.7786 6.7786 6.7804 6.7804 7.1144 7.1144 7.1146 7.1146 7.1515 7.1516 k = 0.1818 0.1050 0.3840 ( 6690 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3089 -17.3089 -17.3083 -17.3083 -16.9543 -16.9543 -16.9467 -16.9467 -16.9306 -16.9306 -16.9284 -16.9284 -16.8806 -16.8806 -16.8752 -16.8752 -16.5261 -16.5261 -16.5260 -16.5260 -16.5093 -16.5093 -16.5089 -16.5089 -1.5761 -1.5761 -1.5760 -1.5760 3.7286 3.7286 3.7299 3.7299 4.8155 4.8155 4.8159 4.8159 5.0692 5.0692 5.0709 5.0709 6.7916 6.7916 6.7932 6.7932 7.1600 7.1600 7.1603 7.1603 7.1682 7.1682 k = 0.1970 0.1137 0.3840 ( 6686 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3090 -17.3090 -17.3084 -17.3084 -16.9556 -16.9556 -16.9481 -16.9481 -16.9310 -16.9310 -16.9289 -16.9289 -16.8790 -16.8790 -16.8736 -16.8736 -16.5263 -16.5263 -16.5262 -16.5262 -16.5091 -16.5091 -16.5087 -16.5087 -1.5638 -1.5638 -1.5637 -1.5637 3.6737 3.6737 3.6749 3.6749 4.8213 4.8213 4.8216 4.8216 5.0819 5.0819 5.0836 5.0836 6.7950 6.7950 6.7966 6.7966 7.1849 7.1849 7.1850 7.1850 7.2190 7.2190 k = 0.2121 0.1225 0.3840 ( 6674 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6386 -35.6386 -35.6386 -35.6386 -17.3090 -17.3090 -17.3084 -17.3084 -16.9570 -16.9570 -16.9495 -16.9495 -16.9314 -16.9314 -16.9293 -16.9293 -16.8773 -16.8773 -16.8721 -16.8721 -16.5264 -16.5264 -16.5263 -16.5263 -16.5089 -16.5089 -16.5085 -16.5085 -1.5511 -1.5511 -1.5510 -1.5510 3.6203 3.6203 3.6214 3.6214 4.8272 4.8272 4.8275 4.8275 5.0917 5.0917 5.0932 5.0932 6.7916 6.7916 6.7931 6.7931 7.2037 7.2037 7.2038 7.2038 7.2865 7.2868 k = 0.2273 0.1312 0.3840 ( 6672 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3090 -17.3090 -17.3084 -17.3084 -16.9584 -16.9584 -16.9511 -16.9511 -16.9317 -16.9317 -16.9297 -16.9297 -16.8757 -16.8757 -16.8705 -16.8705 -16.5266 -16.5266 -16.5264 -16.5264 -16.5087 -16.5087 -16.5083 -16.5083 -1.5380 -1.5380 -1.5379 -1.5379 3.5686 3.5686 3.5697 3.5697 4.8332 4.8332 4.8335 4.8335 5.0987 5.0987 5.1001 5.1001 6.7838 6.7838 6.7851 6.7851 7.2236 7.2236 7.2237 7.2237 7.3605 7.3606 k = 0.2424 0.1400 0.3840 ( 6680 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3091 -17.3091 -17.3085 -17.3085 -16.9597 -16.9597 -16.9526 -16.9526 -16.9320 -16.9320 -16.9301 -16.9301 -16.8742 -16.8742 -16.8691 -16.8691 -16.5267 -16.5267 -16.5266 -16.5266 -16.5086 -16.5086 -16.5082 -16.5082 -1.5246 -1.5246 -1.5244 -1.5244 3.5189 3.5189 3.5199 3.5199 4.8392 4.8392 4.8395 4.8395 5.1030 5.1030 5.1043 5.1043 6.7732 6.7732 6.7744 6.7744 7.2446 7.2446 7.2447 7.2447 7.4383 7.4385 k = 0.2576 0.1487 0.3840 ( 6696 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3091 -17.3091 -17.3085 -17.3085 -16.9611 -16.9611 -16.9543 -16.9543 -16.9322 -16.9322 -16.9304 -16.9304 -16.8727 -16.8727 -16.8677 -16.8677 -16.5268 -16.5268 -16.5267 -16.5267 -16.5085 -16.5085 -16.5081 -16.5081 -1.5110 -1.5110 -1.5109 -1.5109 3.4712 3.4712 3.4722 3.4722 4.8453 4.8453 4.8455 4.8455 5.1048 5.1048 5.1060 5.1060 6.7612 6.7612 6.7624 6.7624 7.2666 7.2666 7.2666 7.2666 7.5180 7.5188 k = 0.2727 0.1575 0.3840 ( 6692 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3092 -17.3092 -17.3086 -17.3086 -16.9623 -16.9623 -16.9558 -16.9558 -16.9324 -16.9324 -16.9307 -16.9307 -16.8712 -16.8712 -16.8664 -16.8664 -16.5269 -16.5269 -16.5268 -16.5268 -16.5083 -16.5083 -16.5080 -16.5080 -1.4974 -1.4974 -1.4972 -1.4972 3.4258 3.4258 3.4267 3.4267 4.8513 4.8513 4.8515 4.8515 5.1045 5.1045 5.1055 5.1055 6.7488 6.7488 6.7499 6.7499 7.2894 7.2894 7.2895 7.2895 7.5977 7.5983 k = 0.2879 0.1662 0.3840 ( 6698 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3092 -17.3092 -17.3086 -17.3086 -16.9635 -16.9635 -16.9574 -16.9574 -16.9326 -16.9326 -16.9310 -16.9310 -16.8698 -16.8697 -16.8652 -16.8652 -16.5270 -16.5270 -16.5269 -16.5269 -16.5082 -16.5082 -16.5079 -16.5079 -1.4838 -1.4838 -1.4837 -1.4837 3.3828 3.3828 3.3836 3.3836 4.8572 4.8572 4.8574 4.8574 5.1021 5.1021 5.1031 5.1031 6.7366 6.7366 6.7375 6.7375 7.3131 7.3131 7.3132 7.3132 7.6750 7.6752 k = 0.3030 0.1750 0.3840 ( 6702 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3093 -17.3093 -17.3087 -17.3087 -16.9647 -16.9647 -16.9589 -16.9589 -16.9327 -16.9327 -16.9313 -16.9313 -16.8684 -16.8684 -16.8640 -16.8640 -16.5271 -16.5271 -16.5270 -16.5270 -16.5082 -16.5082 -16.5078 -16.5078 -1.4705 -1.4705 -1.4704 -1.4704 3.3423 3.3423 3.3430 3.3430 4.8629 4.8629 4.8631 4.8631 5.0981 5.0981 5.0989 5.0989 6.7249 6.7249 6.7258 6.7258 7.3374 7.3374 7.3374 7.3374 7.7458 7.7463 k = 0.3182 0.1837 0.3840 ( 6698 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3087 -17.3087 -16.9657 -16.9657 -16.9603 -16.9603 -16.9329 -16.9329 -16.9316 -16.9316 -16.8670 -16.8670 -16.8630 -16.8630 -16.5271 -16.5271 -16.5270 -16.5270 -16.5081 -16.5081 -16.5077 -16.5077 -1.4575 -1.4575 -1.4573 -1.4573 3.3043 3.3043 3.3050 3.3050 4.8685 4.8685 4.8686 4.8686 5.0926 5.0926 5.0933 5.0933 6.7142 6.7142 6.7150 6.7150 7.3621 7.3621 7.3621 7.3621 7.8023 7.8025 k = 0.3333 0.1925 0.3840 ( 6700 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3088 -17.3088 -16.9667 -16.9667 -16.9617 -16.9617 -16.9330 -16.9330 -16.9318 -16.9318 -16.8658 -16.8658 -16.8620 -16.8620 -16.5272 -16.5272 -16.5270 -16.5270 -16.5080 -16.5080 -16.5077 -16.5077 -1.4449 -1.4449 -1.4448 -1.4448 3.2691 3.2691 3.2697 3.2697 4.8737 4.8737 4.8739 4.8739 5.0861 5.0861 5.0867 5.0867 6.7046 6.7046 6.7054 6.7054 7.3870 7.3870 7.3871 7.3871 7.8308 7.8313 k = 0.3485 0.2012 0.3840 ( 6704 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3088 -17.3088 -16.9676 -16.9676 -16.9630 -16.9630 -16.9331 -16.9331 -16.9320 -16.9320 -16.8646 -16.8646 -16.8611 -16.8611 -16.5272 -16.5272 -16.5271 -16.5271 -16.5079 -16.5079 -16.5076 -16.5076 -1.4330 -1.4330 -1.4328 -1.4328 3.2366 3.2366 3.2372 3.2372 4.8786 4.8786 4.8788 4.8788 5.0787 5.0787 5.0793 5.0793 6.6963 6.6963 6.6970 6.6970 7.4120 7.4120 7.4121 7.4121 7.8278 7.8279 k = 0.3636 0.2099 0.3840 ( 6706 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3089 -17.3089 -16.9684 -16.9684 -16.9643 -16.9643 -16.9332 -16.9332 -16.9323 -16.9323 -16.8635 -16.8635 -16.8603 -16.8603 -16.5272 -16.5272 -16.5271 -16.5271 -16.5079 -16.5079 -16.5076 -16.5076 -1.4217 -1.4217 -1.4216 -1.4216 3.2070 3.2070 3.2075 3.2075 4.8831 4.8831 4.8833 4.8833 5.0709 5.0709 5.0714 5.0714 6.6892 6.6892 6.6898 6.6898 7.4366 7.4366 7.4367 7.4367 7.8080 7.8081 k = 0.3788 0.2187 0.3840 ( 6702 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3089 -17.3089 -16.9691 -16.9691 -16.9654 -16.9654 -16.9332 -16.9332 -16.9324 -16.9324 -16.8625 -16.8625 -16.8596 -16.8596 -16.5272 -16.5272 -16.5271 -16.5271 -16.5079 -16.5079 -16.5076 -16.5076 -1.4113 -1.4113 -1.4112 -1.4112 3.1803 3.1803 3.1808 3.1808 4.8873 4.8873 4.8874 4.8874 5.0630 5.0630 5.0634 5.0634 6.6834 6.6834 6.6840 6.6840 7.4607 7.4607 7.4607 7.4607 7.7828 7.7832 k = 0.3939 0.2274 0.3840 ( 6698 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3090 -17.3090 -16.9697 -16.9697 -16.9664 -16.9664 -16.9333 -16.9333 -16.9326 -16.9326 -16.8616 -16.8616 -16.8590 -16.8590 -16.5272 -16.5272 -16.5271 -16.5271 -16.5078 -16.5078 -16.5076 -16.5076 -1.4018 -1.4018 -1.4017 -1.4017 3.1566 3.1566 3.1570 3.1570 4.8909 4.8909 4.8910 4.8910 5.0553 5.0553 5.0556 5.0556 6.6788 6.6788 6.6793 6.6793 7.4836 7.4836 7.4837 7.4837 7.7572 7.7576 k = 0.4091 0.2362 0.3840 ( 6700 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3090 -17.3090 -16.9702 -16.9702 -16.9674 -16.9674 -16.9333 -16.9333 -16.9327 -16.9327 -16.8607 -16.8607 -16.8585 -16.8585 -16.5272 -16.5272 -16.5271 -16.5271 -16.5078 -16.5078 -16.5076 -16.5076 -1.3933 -1.3933 -1.3932 -1.3932 3.1360 3.1360 3.1363 3.1363 4.8941 4.8941 4.8942 4.8942 5.0480 5.0480 5.0482 5.0482 6.6752 6.6752 6.6756 6.6756 7.5051 7.5051 7.5051 7.5052 7.7333 7.7337 k = 0.4242 0.2449 0.3840 ( 6702 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3090 -17.3090 -16.9706 -16.9706 -16.9682 -16.9682 -16.9334 -16.9334 -16.9329 -16.9329 -16.8600 -16.8600 -16.8581 -16.8581 -16.5272 -16.5272 -16.5271 -16.5271 -16.5078 -16.5078 -16.5076 -16.5076 -1.3860 -1.3860 -1.3859 -1.3859 3.1184 3.1184 3.1187 3.1187 4.8968 4.8968 4.8968 4.8968 5.0414 5.0414 5.0416 5.0416 6.6725 6.6725 6.6728 6.6728 7.5246 7.5246 7.5247 7.5247 7.7120 7.7125 k = 0.4394 0.2537 0.3840 ( 6694 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3091 -17.3091 -16.9709 -16.9709 -16.9690 -16.9690 -16.9334 -16.9334 -16.9330 -16.9330 -16.8593 -16.8593 -16.8578 -16.8578 -16.5272 -16.5272 -16.5271 -16.5271 -16.5078 -16.5078 -16.5076 -16.5076 -1.3799 -1.3799 -1.3798 -1.3798 3.1040 3.1040 3.1042 3.1042 4.8989 4.8989 4.8990 4.8990 5.0358 5.0358 5.0359 5.0359 6.6706 6.6706 6.6708 6.6708 7.5416 7.5416 7.5417 7.5417 7.6942 7.6944 k = 0.4545 0.2624 0.3840 ( 6684 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3091 -17.3091 -16.9710 -16.9710 -16.9696 -16.9696 -16.9334 -16.9334 -16.9331 -16.9331 -16.8588 -16.8588 -16.8576 -16.8576 -16.5271 -16.5271 -16.5271 -16.5271 -16.5077 -16.5077 -16.5076 -16.5076 -1.3750 -1.3750 -1.3750 -1.3750 3.0928 3.0928 3.0929 3.0929 4.9006 4.9006 4.9006 4.9006 5.0312 5.0312 5.0313 5.0313 6.6693 6.6693 6.6695 6.6695 7.5556 7.5556 7.5556 7.5556 7.6800 7.6802 k = 0.4697 0.2712 0.3840 ( 6696 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3092 -17.3092 -16.9711 -16.9711 -16.9702 -16.9702 -16.9334 -16.9334 -16.9332 -16.9332 -16.8583 -16.8583 -16.8576 -16.8576 -16.5271 -16.5271 -16.5271 -16.5271 -16.5077 -16.5077 -16.5077 -16.5077 -1.3715 -1.3715 -1.3715 -1.3715 3.0847 3.0847 3.0848 3.0848 4.9017 4.9017 4.9018 4.9018 5.0278 5.0278 5.0279 5.0279 6.6685 6.6685 6.6686 6.6686 7.5660 7.5660 7.5660 7.5660 7.6697 7.6699 k = 0.4848 0.2799 0.3840 ( 6696 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3093 -17.3093 -17.3092 -17.3092 -16.9710 -16.9710 -16.9706 -16.9706 -16.9333 -16.9333 -16.9332 -16.9332 -16.8580 -16.8580 -16.8576 -16.8576 -16.5271 -16.5271 -16.5271 -16.5271 -16.5077 -16.5077 -16.5077 -16.5077 -1.3694 -1.3694 -1.3694 -1.3694 3.0799 3.0799 3.0800 3.0800 4.9024 4.9024 4.9025 4.9025 5.0258 5.0258 5.0259 5.0259 6.6680 6.6680 6.6681 6.6681 7.5724 7.5724 7.5724 7.5726 7.6635 7.6636 k = 0.5000 0.2887 0.3840 ( 6692 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3092 -17.3092 -17.3092 -17.3092 -16.9709 -16.9709 -16.9709 -16.9709 -16.9333 -16.9333 -16.9333 -16.9333 -16.8577 -16.8577 -16.8577 -16.8577 -16.5271 -16.5271 -16.5271 -16.5271 -16.5077 -16.5077 -16.5077 -16.5077 -1.3687 -1.3687 -1.3687 -1.3687 3.0783 3.0783 3.0783 3.0783 4.9027 4.9027 4.9027 4.9027 5.0251 5.0251 5.0251 5.0251 6.6679 6.6679 6.6679 6.6679 7.5746 7.5746 7.5746 7.5746 7.6614 7.6614 k = 0.5000 0.2887 0.3840 ( 6692 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3092 -17.3092 -17.3092 -17.3092 -16.9709 -16.9709 -16.9709 -16.9709 -16.9333 -16.9333 -16.9333 -16.9333 -16.8577 -16.8577 -16.8577 -16.8577 -16.5271 -16.5271 -16.5271 -16.5271 -16.5077 -16.5077 -16.5077 -16.5077 -1.3687 -1.3687 -1.3687 -1.3687 3.0783 3.0783 3.0783 3.0783 4.9027 4.9027 4.9027 4.9027 5.0251 5.0251 5.0251 5.0251 6.6679 6.6679 6.6679 6.6679 7.5746 7.5746 7.5746 7.5746 7.6614 7.6614 k = 0.4917 0.3031 0.3840 ( 6692 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3094 -17.3094 -17.3090 -17.3090 -16.9710 -16.9710 -16.9708 -16.9708 -16.9342 -16.9342 -16.9323 -16.9323 -16.8584 -16.8584 -16.8571 -16.8571 -16.5272 -16.5272 -16.5270 -16.5270 -16.5079 -16.5079 -16.5075 -16.5075 -1.3686 -1.3686 -1.3685 -1.3685 3.0795 3.0795 3.0798 3.0798 4.8713 4.8713 4.8858 4.8858 5.0370 5.0370 5.0538 5.0538 6.6707 6.6707 6.6736 6.6736 7.5731 7.5731 7.5735 7.5735 7.6618 7.6620 k = 0.4833 0.3175 0.3840 ( 6692 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3096 -17.3096 -17.3088 -17.3088 -16.9711 -16.9711 -16.9708 -16.9708 -16.9351 -16.9351 -16.9313 -16.9313 -16.8590 -16.8590 -16.8565 -16.8565 -16.5272 -16.5272 -16.5269 -16.5269 -16.5081 -16.5081 -16.5073 -16.5073 -1.3681 -1.3681 -1.3679 -1.3679 3.0833 3.0833 3.0840 3.0840 4.8182 4.8182 4.8360 4.8360 5.0739 5.0739 5.0963 5.0963 6.6820 6.6820 6.6876 6.6876 7.5694 7.5694 7.5701 7.5701 7.6628 7.6633 k = 0.4750 0.3320 0.3840 ( 6692 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3098 -17.3098 -17.3086 -17.3086 -16.9713 -16.9713 -16.9709 -16.9709 -16.9359 -16.9359 -16.9302 -16.9302 -16.8596 -16.8596 -16.8559 -16.8559 -16.5273 -16.5273 -16.5268 -16.5268 -16.5083 -16.5083 -16.5071 -16.5071 -1.3673 -1.3673 -1.3669 -1.3669 3.0897 3.0897 3.0909 3.0909 4.7571 4.7571 4.7752 4.7752 5.1147 5.1147 5.1394 5.1394 6.7013 6.7013 6.7095 6.7095 7.5637 7.5638 7.5647 7.5647 7.6644 7.6651 k = 0.4667 0.3464 0.3840 ( 6694 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3100 -17.3100 -17.3084 -17.3084 -16.9716 -16.9716 -16.9711 -16.9711 -16.9366 -16.9366 -16.9291 -16.9291 -16.8602 -16.8602 -16.8553 -16.8553 -16.5274 -16.5274 -16.5267 -16.5267 -16.5085 -16.5085 -16.5070 -16.5070 -1.3661 -1.3661 -1.3657 -1.3657 3.0988 3.0988 3.1004 3.1004 4.6917 4.6917 4.7092 4.7092 5.1538 5.1538 5.1798 5.1798 6.7279 6.7279 6.7385 6.7385 7.5567 7.5567 7.5579 7.5579 7.6664 7.6676 k = 0.4583 0.3608 0.3840 ( 6692 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3102 -17.3102 -17.3082 -17.3082 -16.9719 -16.9719 -16.9713 -16.9713 -16.9372 -16.9372 -16.9280 -16.9280 -16.8608 -16.8608 -16.8547 -16.8547 -16.5274 -16.5274 -16.5266 -16.5266 -16.5087 -16.5087 -16.5068 -16.5068 -1.3647 -1.3647 -1.3641 -1.3641 3.1104 3.1104 3.1125 3.1125 4.6235 4.6235 4.6404 4.6404 5.1896 5.1896 5.2166 5.2166 6.7609 6.7609 6.7736 6.7736 7.5489 7.5489 7.5501 7.5501 7.6689 7.6704 k = 0.4500 0.3753 0.3840 ( 6698 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3104 -17.3104 -17.3081 -17.3081 -16.9722 -16.9722 -16.9716 -16.9716 -16.9378 -16.9378 -16.9269 -16.9269 -16.8614 -16.8614 -16.8542 -16.8542 -16.5274 -16.5274 -16.5266 -16.5266 -16.5089 -16.5089 -16.5067 -16.5067 -1.3629 -1.3629 -1.3622 -1.3622 3.1246 3.1246 3.1272 3.1272 4.5535 4.5535 4.5698 4.5698 5.2220 5.2220 5.2496 5.2496 6.7992 6.7992 6.8136 6.8136 7.5408 7.5408 7.5419 7.5419 7.6713 7.6732 k = 0.4417 0.3897 0.3840 ( 6702 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3106 -17.3106 -17.3079 -17.3079 -16.9726 -16.9726 -16.9719 -16.9719 -16.9383 -16.9383 -16.9259 -16.9259 -16.8619 -16.8619 -16.8537 -16.8537 -16.5275 -16.5275 -16.5265 -16.5265 -16.5091 -16.5091 -16.5066 -16.5066 -1.3609 -1.3609 -1.3601 -1.3601 3.1413 3.1413 3.1444 3.1444 4.4824 4.4824 4.4981 4.4981 5.2508 5.2508 5.2789 5.2789 6.8413 6.8413 6.8573 6.8573 7.5330 7.5330 7.5341 7.5341 7.6742 7.6744 k = 0.4333 0.4041 0.3840 ( 6690 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3108 -17.3108 -17.3077 -17.3077 -16.9730 -16.9730 -16.9722 -16.9722 -16.9386 -16.9386 -16.9249 -16.9249 -16.8624 -16.8624 -16.8532 -16.8532 -16.5275 -16.5275 -16.5264 -16.5264 -16.5093 -16.5093 -16.5064 -16.5064 -1.3587 -1.3587 -1.3578 -1.3578 3.1604 3.1604 3.1640 3.1640 4.4109 4.4109 4.4262 4.4262 5.2764 5.2764 5.3047 5.3047 6.8858 6.8858 6.9029 6.9029 7.5262 7.5262 7.5271 7.5271 7.6773 7.6775 k = 0.4250 0.4186 0.3840 ( 6684 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3109 -17.3109 -17.3076 -17.3076 -16.9734 -16.9734 -16.9725 -16.9725 -16.9389 -16.9389 -16.9239 -16.9239 -16.8628 -16.8628 -16.8527 -16.8527 -16.5275 -16.5275 -16.5263 -16.5263 -16.5094 -16.5094 -16.5063 -16.5063 -1.3563 -1.3563 -1.3554 -1.3554 3.1818 3.1818 3.1861 3.1861 4.3394 4.3394 4.3545 4.3545 5.2988 5.2988 5.3273 5.3273 6.9310 6.9310 6.9490 6.9490 7.5209 7.5209 7.5217 7.5217 7.6814 7.6814 k = 0.4167 0.4330 0.3840 ( 6708 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3111 -17.3111 -17.3075 -17.3075 -16.9739 -16.9739 -16.9729 -16.9729 -16.9392 -16.9392 -16.9230 -16.9230 -16.8633 -16.8633 -16.8523 -16.8523 -16.5275 -16.5275 -16.5262 -16.5262 -16.5096 -16.5096 -16.5063 -16.5063 -1.3538 -1.3538 -1.3528 -1.3528 3.2054 3.2054 3.2104 3.2104 4.2687 4.2687 4.2837 4.2837 5.3185 5.3185 5.3470 5.3470 6.9751 6.9751 6.9937 6.9937 7.5175 7.5175 7.5182 7.5182 7.6868 7.6868 k = 0.4083 0.4474 0.3840 ( 6702 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3113 -17.3113 -17.3073 -17.3073 -16.9743 -16.9743 -16.9732 -16.9732 -16.9394 -16.9394 -16.9222 -16.9222 -16.8636 -16.8636 -16.8519 -16.8519 -16.5275 -16.5275 -16.5261 -16.5261 -16.5098 -16.5098 -16.5062 -16.5062 -1.3513 -1.3513 -1.3501 -1.3501 3.2310 3.2310 3.2368 3.2368 4.1991 4.1991 4.2143 4.2143 5.3356 5.3356 5.3640 5.3640 7.0165 7.0165 7.0353 7.0353 7.5167 7.5167 7.5172 7.5172 7.6941 7.6941 k = 0.4000 0.4619 0.3840 ( 6702 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3114 -17.3114 -17.3072 -17.3072 -16.9748 -16.9748 -16.9735 -16.9735 -16.9396 -16.9396 -16.9214 -16.9214 -16.8640 -16.8640 -16.8515 -16.8515 -16.5274 -16.5274 -16.5260 -16.5260 -16.5099 -16.5099 -16.5062 -16.5062 -1.3487 -1.3487 -1.3475 -1.3475 3.2584 3.2584 3.2652 3.2652 4.1312 4.1312 4.1468 4.1468 5.3504 5.3504 5.3787 5.3787 7.0535 7.0535 7.0721 7.0721 7.5184 7.5184 7.5188 7.5188 7.7040 7.7042 k = 0.3917 0.4763 0.3840 ( 6702 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3115 -17.3115 -17.3071 -17.3071 -16.9752 -16.9752 -16.9738 -16.9738 -16.9397 -16.9397 -16.9208 -16.9208 -16.8642 -16.8642 -16.8512 -16.8512 -16.5274 -16.5274 -16.5260 -16.5260 -16.5100 -16.5100 -16.5061 -16.5061 -1.3462 -1.3462 -1.3449 -1.3449 3.2872 3.2872 3.2953 3.2953 4.0656 4.0656 4.0819 4.0819 5.3630 5.3630 5.3913 5.3913 7.0850 7.0850 7.1032 7.1032 7.5223 7.5223 7.5228 7.5228 7.7174 7.7174 k = 0.3833 0.4907 0.3840 ( 6708 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3116 -17.3116 -17.3071 -17.3071 -16.9756 -16.9756 -16.9741 -16.9741 -16.9398 -16.9398 -16.9202 -16.9202 -16.8645 -16.8645 -16.8509 -16.8509 -16.5274 -16.5274 -16.5259 -16.5259 -16.5101 -16.5101 -16.5061 -16.5061 -1.3438 -1.3438 -1.3424 -1.3424 3.3171 3.3171 3.3267 3.3267 4.0029 4.0029 4.0203 4.0203 5.3737 5.3737 5.4019 5.4019 7.1103 7.1103 7.1278 7.1278 7.5278 7.5278 7.5283 7.5283 7.7350 7.7350 k = 0.3750 0.5052 0.3840 ( 6704 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3117 -17.3117 -17.3070 -17.3070 -16.9759 -16.9759 -16.9744 -16.9744 -16.9398 -16.9398 -16.9197 -16.9197 -16.8646 -16.8646 -16.8506 -16.8506 -16.5274 -16.5274 -16.5259 -16.5259 -16.5102 -16.5102 -16.5060 -16.5060 -1.3416 -1.3416 -1.3402 -1.3402 3.3474 3.3474 3.3588 3.3588 3.9438 3.9438 3.9627 3.9627 5.3825 5.3825 5.4106 5.4106 7.1295 7.1295 7.1462 7.1462 7.5338 7.5338 7.5343 7.5343 7.7570 7.7570 k = 0.3667 0.5196 0.3840 ( 6688 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3118 -17.3118 -17.3069 -17.3069 -16.9762 -16.9762 -16.9746 -16.9746 -16.9398 -16.9398 -16.9193 -16.9193 -16.8647 -16.8647 -16.8504 -16.8504 -16.5274 -16.5274 -16.5258 -16.5258 -16.5102 -16.5102 -16.5060 -16.5060 -1.3396 -1.3396 -1.3381 -1.3381 3.3771 3.3771 3.3908 3.3908 3.8895 3.8895 3.9105 3.9105 5.3896 5.3896 5.4176 5.4176 7.1432 7.1432 7.1592 7.1592 7.5393 7.5393 7.5400 7.5400 7.7830 7.7831 k = 0.3583 0.5340 0.3840 ( 6680 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3118 -17.3118 -17.3068 -17.3068 -16.9764 -16.9764 -16.9747 -16.9747 -16.9399 -16.9399 -16.9190 -16.9190 -16.8648 -16.8648 -16.8502 -16.8502 -16.5273 -16.5273 -16.5258 -16.5258 -16.5103 -16.5103 -16.5060 -16.5060 -1.3379 -1.3379 -1.3365 -1.3365 3.4046 3.4046 3.4213 3.4213 3.8416 3.8416 3.8652 3.8652 5.3950 5.3950 5.4229 5.4229 7.1523 7.1523 7.1677 7.1677 7.5438 7.5438 7.5446 7.5446 7.8117 7.8223 k = 0.3500 0.5485 0.3840 ( 6676 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3119 -17.3119 -17.3068 -17.3068 -16.9766 -16.9766 -16.9748 -16.9748 -16.9399 -16.9399 -16.9188 -16.9188 -16.8648 -16.8648 -16.8501 -16.8501 -16.5273 -16.5273 -16.5258 -16.5258 -16.5103 -16.5103 -16.5060 -16.5060 -1.3367 -1.3367 -1.3352 -1.3352 3.4278 3.4278 3.4476 3.4476 3.8026 3.8026 3.8292 3.8292 5.3988 5.3988 5.4267 5.4267 7.1579 7.1579 7.1728 7.1728 7.5470 7.5470 7.5479 7.5479 7.8405 7.8407 k = 0.3417 0.5629 0.3840 ( 6670 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3119 -17.3119 -17.3068 -17.3068 -16.9767 -16.9767 -16.9749 -16.9749 -16.9399 -16.9399 -16.9187 -16.9187 -16.8649 -16.8649 -16.8500 -16.8500 -16.5273 -16.5273 -16.5257 -16.5257 -16.5103 -16.5103 -16.5060 -16.5060 -1.3358 -1.3358 -1.3343 -1.3343 3.4436 3.4436 3.4663 3.4663 3.7764 3.7764 3.8057 3.8057 5.4011 5.4011 5.4289 5.4289 7.1608 7.1608 7.1753 7.1753 7.5490 7.5490 7.5499 7.5499 7.8645 7.8650 k = 0.3333 0.5774 0.3840 ( 6666 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3119 -17.3119 -17.3068 -17.3068 -16.9768 -16.9768 -16.9749 -16.9749 -16.9399 -16.9399 -16.9186 -16.9186 -16.8649 -16.8649 -16.8499 -16.8499 -16.5273 -16.5273 -16.5257 -16.5257 -16.5103 -16.5103 -16.5060 -16.5060 -1.3356 -1.3356 -1.3341 -1.3341 3.4492 3.4492 3.4731 3.4731 3.7670 3.7670 3.7975 3.7975 5.4018 5.4018 5.4296 5.4296 7.1616 7.1616 7.1761 7.1761 7.5496 7.5496 7.5505 7.5505 7.8748 7.8749 k = 0.3333 0.5774 0.3840 ( 6666 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3119 -17.3119 -17.3068 -17.3068 -16.9768 -16.9768 -16.9749 -16.9749 -16.9399 -16.9399 -16.9186 -16.9186 -16.8649 -16.8649 -16.8499 -16.8499 -16.5273 -16.5273 -16.5257 -16.5257 -16.5103 -16.5103 -16.5060 -16.5060 -1.3356 -1.3356 -1.3341 -1.3341 3.4492 3.4492 3.4731 3.4731 3.7670 3.7670 3.7975 3.7975 5.4018 5.4018 5.4296 5.4296 7.1616 7.1616 7.1761 7.1761 7.5496 7.5496 7.5505 7.5505 7.8747 7.8748 k = 0.3248 0.5625 0.3840 ( 6670 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3119 -17.3119 -17.3068 -17.3068 -16.9767 -16.9767 -16.9749 -16.9749 -16.9399 -16.9399 -16.9187 -16.9187 -16.8649 -16.8649 -16.8500 -16.8500 -16.5273 -16.5273 -16.5257 -16.5257 -16.5103 -16.5103 -16.5060 -16.5060 -1.3359 -1.3359 -1.3344 -1.3344 3.4436 3.4436 3.4663 3.4663 3.7765 3.7765 3.8059 3.8059 5.4010 5.4010 5.4289 5.4289 7.1608 7.1608 7.1754 7.1754 7.5489 7.5489 7.5498 7.5498 7.8648 7.8654 k = 0.3162 0.5477 0.3840 ( 6666 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3118 -17.3118 -17.3068 -17.3068 -16.9766 -16.9766 -16.9748 -16.9748 -16.9399 -16.9399 -16.9188 -16.9188 -16.8648 -16.8648 -16.8500 -16.8500 -16.5273 -16.5273 -16.5257 -16.5257 -16.5103 -16.5103 -16.5060 -16.5060 -1.3369 -1.3369 -1.3354 -1.3354 3.4288 3.4288 3.4487 3.4487 3.8022 3.8022 3.8289 3.8289 5.3988 5.3988 5.4266 5.4266 7.1587 7.1587 7.1736 7.1736 7.5465 7.5465 7.5473 7.5473 7.8423 7.8440 k = 0.3077 0.5329 0.3840 ( 6682 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3118 -17.3118 -17.3068 -17.3068 -16.9764 -16.9764 -16.9747 -16.9747 -16.9399 -16.9399 -16.9189 -16.9189 -16.8649 -16.8649 -16.8502 -16.8502 -16.5273 -16.5273 -16.5258 -16.5258 -16.5103 -16.5103 -16.5060 -16.5060 -1.3386 -1.3386 -1.3372 -1.3372 3.4085 3.4085 3.4254 3.4254 3.8389 3.8389 3.8627 3.8627 5.3950 5.3950 5.4229 5.4229 7.1554 7.1554 7.1707 7.1707 7.5417 7.5417 7.5426 7.5426 7.8172 7.8194 k = 0.2991 0.5181 0.3840 ( 6678 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3118 -17.3118 -17.3069 -17.3069 -16.9761 -16.9761 -16.9744 -16.9744 -16.9399 -16.9399 -16.9191 -16.9191 -16.8649 -16.8649 -16.8505 -16.8505 -16.5274 -16.5274 -16.5258 -16.5258 -16.5102 -16.5102 -16.5060 -16.5060 -1.3411 -1.3411 -1.3397 -1.3397 3.3861 3.3861 3.4003 3.4003 3.8827 3.8827 3.9040 3.9040 5.3899 5.3899 5.4179 5.4179 7.1509 7.1509 7.1668 7.1668 7.5339 7.5339 7.5348 7.5348 7.7945 7.7962 k = 0.2906 0.5033 0.3840 ( 6690 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3117 -17.3117 -17.3069 -17.3069 -16.9758 -16.9758 -16.9740 -16.9740 -16.9399 -16.9399 -16.9194 -16.9194 -16.8650 -16.8650 -16.8507 -16.8507 -16.5274 -16.5274 -16.5258 -16.5258 -16.5102 -16.5102 -16.5060 -16.5060 -1.3445 -1.3445 -1.3431 -1.3431 3.3639 3.3639 3.3760 3.3760 3.9309 3.9309 3.9504 3.9504 5.3834 5.3834 5.4115 5.4115 7.1451 7.1451 7.1616 7.1616 7.5220 7.5220 7.5231 7.5231 7.7767 7.7769 k = 0.2821 0.4885 0.3840 ( 6694 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3116 -17.3116 -17.3070 -17.3070 -16.9754 -16.9754 -16.9736 -16.9736 -16.9399 -16.9399 -16.9197 -16.9197 -16.8651 -16.8651 -16.8511 -16.8511 -16.5274 -16.5274 -16.5259 -16.5259 -16.5101 -16.5101 -16.5060 -16.5060 -1.3487 -1.3487 -1.3474 -1.3474 3.3434 3.3434 3.3538 3.3538 3.9821 3.9821 4.0002 4.0002 5.3757 5.3757 5.4038 5.4038 7.1378 7.1378 7.1551 7.1551 7.5056 7.5056 7.5068 7.5068 7.7657 7.7658 k = 0.2735 0.4737 0.3840 ( 6690 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3115 -17.3115 -17.3071 -17.3071 -16.9749 -16.9749 -16.9730 -16.9730 -16.9398 -16.9398 -16.9200 -16.9200 -16.8652 -16.8652 -16.8515 -16.8515 -16.5275 -16.5275 -16.5259 -16.5259 -16.5101 -16.5101 -16.5060 -16.5060 -1.3538 -1.3538 -1.3525 -1.3525 3.3255 3.3255 3.3345 3.3345 4.0353 4.0353 4.0523 4.0523 5.3667 5.3667 5.3950 5.3950 7.1289 7.1289 7.1470 7.1470 7.4848 7.4848 7.4861 7.4861 7.7623 7.7626 k = 0.2650 0.4589 0.3840 ( 6700 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3114 -17.3114 -17.3072 -17.3072 -16.9744 -16.9744 -16.9723 -16.9723 -16.9399 -16.9399 -16.9204 -16.9204 -16.8654 -16.8654 -16.8520 -16.8520 -16.5275 -16.5275 -16.5260 -16.5260 -16.5100 -16.5100 -16.5060 -16.5060 -1.3598 -1.3598 -1.3586 -1.3586 3.3108 3.3108 3.3186 3.3186 4.0896 4.0896 4.1059 4.1059 5.3567 5.3567 5.3850 5.3850 7.1181 7.1181 7.1370 7.1370 7.4608 7.4608 7.4619 7.4619 7.7661 7.7727 k = 0.2564 0.4441 0.3840 ( 6698 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3113 -17.3113 -17.3072 -17.3072 -16.9738 -16.9738 -16.9715 -16.9715 -16.9398 -16.9398 -16.9207 -16.9207 -16.8657 -16.8657 -16.8526 -16.8526 -16.5276 -16.5276 -16.5260 -16.5260 -16.5100 -16.5100 -16.5060 -16.5060 -1.3667 -1.3667 -1.3655 -1.3655 3.2997 3.2997 3.3066 3.3066 4.1446 4.1446 4.1604 4.1604 5.3456 5.3456 5.3741 5.3741 7.1055 7.1055 7.1251 7.1251 7.4349 7.4349 7.4357 7.4357 7.7767 7.7822 k = 0.2479 0.4293 0.3840 ( 6706 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3112 -17.3112 -17.3073 -17.3073 -16.9732 -16.9732 -16.9705 -16.9705 -16.9398 -16.9398 -16.9211 -16.9211 -16.8660 -16.8660 -16.8532 -16.8532 -16.5276 -16.5276 -16.5260 -16.5260 -16.5099 -16.5099 -16.5061 -16.5061 -1.3744 -1.3744 -1.3733 -1.3733 3.2924 3.2924 3.2985 3.2985 4.1997 4.1997 4.2152 4.2152 5.3336 5.3336 5.3622 5.3622 7.0909 7.0909 7.1111 7.1111 7.4084 7.4084 7.4087 7.4087 7.7921 7.7973 k = 0.2393 0.4145 0.3840 ( 6706 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3111 -17.3111 -17.3074 -17.3074 -16.9726 -16.9726 -16.9695 -16.9695 -16.9397 -16.9397 -16.9214 -16.9214 -16.8664 -16.8664 -16.8539 -16.8539 -16.5277 -16.5277 -16.5261 -16.5261 -16.5098 -16.5098 -16.5061 -16.5061 -1.3830 -1.3830 -1.3820 -1.3820 3.2892 3.2892 3.2946 3.2946 4.2544 4.2544 4.2698 4.2698 5.3209 5.3209 5.3495 5.3495 7.0745 7.0745 7.0950 7.0950 7.3820 7.3820 7.3824 7.3824 7.8157 7.8165 k = 0.2308 0.3997 0.3840 ( 6718 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3109 -17.3109 -17.3075 -17.3075 -16.9718 -16.9718 -16.9683 -16.9683 -16.9397 -16.9397 -16.9218 -16.9218 -16.8669 -16.8669 -16.8547 -16.8547 -16.5278 -16.5278 -16.5261 -16.5261 -16.5098 -16.5098 -16.5061 -16.5061 -1.3924 -1.3924 -1.3915 -1.3915 3.2900 3.2900 3.2948 3.2948 4.3083 4.3083 4.3238 4.3238 5.3074 5.3074 5.3361 5.3361 7.0565 7.0565 7.0772 7.0772 7.3565 7.3565 7.3574 7.3574 7.8384 7.8406 k = 0.2222 0.3849 0.3840 ( 6722 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3108 -17.3108 -17.3076 -17.3076 -16.9710 -16.9710 -16.9671 -16.9671 -16.9396 -16.9396 -16.9222 -16.9222 -16.8674 -16.8674 -16.8556 -16.8556 -16.5278 -16.5278 -16.5262 -16.5262 -16.5097 -16.5097 -16.5062 -16.5062 -1.4026 -1.4026 -1.4017 -1.4017 3.2949 3.2949 3.2992 3.2992 4.3610 4.3610 4.3766 4.3766 5.2934 5.2934 5.3221 5.3221 7.0375 7.0375 7.0581 7.0581 7.3325 7.3325 7.3337 7.3337 7.8636 7.8648 k = 0.2137 0.3701 0.3840 ( 6714 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3107 -17.3107 -17.3077 -17.3077 -16.9702 -16.9702 -16.9657 -16.9657 -16.9394 -16.9394 -16.9225 -16.9225 -16.8680 -16.8680 -16.8566 -16.8566 -16.5278 -16.5278 -16.5262 -16.5262 -16.5096 -16.5096 -16.5063 -16.5063 -1.4135 -1.4135 -1.4127 -1.4127 3.3040 3.3040 3.3078 3.3078 4.4120 4.4120 4.4278 4.4278 5.2789 5.2789 5.3076 5.3076 7.0179 7.0179 7.0381 7.0381 7.3099 7.3099 7.3114 7.3114 7.8902 7.8953 k = 0.2051 0.3553 0.3840 ( 6710 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3105 -17.3105 -17.3077 -17.3077 -16.9692 -16.9692 -16.9643 -16.9643 -16.9393 -16.9393 -16.9228 -16.9228 -16.8686 -16.8686 -16.8576 -16.8576 -16.5278 -16.5278 -16.5262 -16.5262 -16.5095 -16.5095 -16.5063 -16.5063 -1.4250 -1.4250 -1.4243 -1.4243 3.3171 3.3171 3.3206 3.3206 4.4609 4.4609 4.4769 4.4769 5.2641 5.2641 5.2927 5.2927 6.9983 6.9983 7.0180 7.0180 7.2888 7.2888 7.2904 7.2904 7.8991 7.9093 k = 0.1966 0.3405 0.3840 ( 6704 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3103 -17.3103 -17.3078 -17.3078 -16.9682 -16.9682 -16.9628 -16.9628 -16.9391 -16.9391 -16.9232 -16.9232 -16.8694 -16.8694 -16.8587 -16.8587 -16.5278 -16.5278 -16.5262 -16.5262 -16.5095 -16.5095 -16.5064 -16.5064 -1.4371 -1.4371 -1.4364 -1.4364 3.3343 3.3343 3.3374 3.3374 4.5072 4.5072 4.5235 4.5235 5.2491 5.2491 5.2775 5.2775 6.9794 6.9794 6.9983 6.9983 7.2688 7.2688 7.2706 7.2706 7.8670 7.8679 k = 0.1880 0.3257 0.3840 ( 6704 PWs) bands (ev): -36.0555 -36.0555 -36.0555 -36.0555 -35.6387 -35.6387 -35.6387 -35.6387 -17.3102 -17.3102 -17.3079 -17.3079 -16.9672 -16.9672 -16.9613 -16.9613 -16.9389 -16.9389 -16.9235 -16.9235 -16.8702 -16.8702 -16.8599 -16.8599 -16.5278 -16.5278 -16.5262 -16.5262 -16.5094 -16.5094 -16.5065 -16.5065 -1.4496 -1.4496 -1.4490 -1.4490 3.3554 3.3554 3.3582 3.3582 4.5505 4.5505 4.5672 4.5672 5.2340 5.2340 5.2621 5.2621 6.9615 6.9615 6.9796 6.9796 7.2498 7.2498 7.2517 7.2517 7.8074 7.8116 k = 0.1795 0.3109 0.3840 ( 6692 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3100 -17.3100 -17.3079 -17.3079 -16.9660 -16.9660 -16.9596 -16.9596 -16.9387 -16.9387 -16.9237 -16.9237 -16.8711 -16.8711 -16.8612 -16.8612 -16.5277 -16.5277 -16.5262 -16.5262 -16.5094 -16.5094 -16.5067 -16.5067 -1.4625 -1.4625 -1.4620 -1.4620 3.3803 3.3803 3.3829 3.3829 4.5906 4.5906 4.6075 4.6075 5.2188 5.2188 5.2465 5.2465 6.9452 6.9452 6.9624 6.9624 7.2314 7.2314 7.2334 7.2334 7.7467 7.7497 k = 0.1709 0.2961 0.3840 ( 6690 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3099 -17.3099 -17.3080 -17.3080 -16.9648 -16.9648 -16.9580 -16.9580 -16.9384 -16.9384 -16.9240 -16.9240 -16.8720 -16.8720 -16.8625 -16.8625 -16.5276 -16.5276 -16.5262 -16.5262 -16.5093 -16.5093 -16.5068 -16.5068 -1.4757 -1.4757 -1.4753 -1.4753 3.4089 3.4089 3.4113 3.4113 4.6270 4.6270 4.6441 4.6441 5.2036 5.2036 5.2309 5.2309 6.9307 6.9307 6.9470 6.9470 7.2134 7.2134 7.2156 7.2156 7.6808 7.6825 k = 0.1624 0.2813 0.3840 ( 6692 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3097 -17.3097 -17.3080 -17.3080 -16.9636 -16.9636 -16.9563 -16.9563 -16.9380 -16.9380 -16.9243 -16.9243 -16.8731 -16.8731 -16.8639 -16.8639 -16.5275 -16.5275 -16.5262 -16.5262 -16.5093 -16.5093 -16.5070 -16.5070 -1.4891 -1.4891 -1.4887 -1.4887 3.4412 3.4412 3.4433 3.4433 4.6595 4.6595 4.6767 4.6767 5.1885 5.1885 5.2151 5.2151 6.9180 6.9180 6.9334 6.9334 7.1957 7.1957 7.1981 7.1981 7.6115 7.6125 k = 0.1538 0.2665 0.3840 ( 6692 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3096 -17.3096 -17.3081 -17.3081 -16.9623 -16.9623 -16.9546 -16.9546 -16.9377 -16.9377 -16.9245 -16.9245 -16.8742 -16.8742 -16.8654 -16.8654 -16.5274 -16.5274 -16.5261 -16.5261 -16.5093 -16.5093 -16.5072 -16.5072 -1.5026 -1.5026 -1.5022 -1.5022 3.4768 3.4768 3.4788 3.4788 4.6880 4.6880 4.7051 4.7051 5.1735 5.1735 5.1991 5.1991 6.9071 6.9071 6.9216 6.9216 7.1781 7.1781 7.1808 7.1808 7.5422 7.5438 k = 0.1453 0.2517 0.3840 ( 6688 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3095 -17.3095 -17.3081 -17.3081 -16.9610 -16.9610 -16.9530 -16.9530 -16.9372 -16.9372 -16.9247 -16.9247 -16.8753 -16.8753 -16.8669 -16.8669 -16.5273 -16.5273 -16.5261 -16.5261 -16.5093 -16.5093 -16.5074 -16.5074 -1.5160 -1.5160 -1.5157 -1.5157 3.5156 3.5156 3.5175 3.5175 4.7124 4.7124 4.7292 4.7292 5.1584 5.1584 5.1829 5.1829 6.8974 6.8974 6.9112 6.9112 7.1602 7.1602 7.1634 7.1634 7.4739 7.4745 k = 0.1368 0.2369 0.3840 ( 6676 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3094 -17.3094 -17.3082 -17.3082 -16.9597 -16.9597 -16.9513 -16.9513 -16.9367 -16.9367 -16.9249 -16.9249 -16.8765 -16.8765 -16.8685 -16.8685 -16.5271 -16.5271 -16.5260 -16.5260 -16.5093 -16.5093 -16.5076 -16.5076 -1.5294 -1.5293 -1.5291 -1.5291 3.5574 3.5574 3.5592 3.5592 4.7327 4.7327 4.7491 4.7491 5.1432 5.1432 5.1663 5.1663 6.8884 6.8884 6.9014 6.9014 7.1420 7.1420 7.1458 7.1458 7.4068 7.4076 k = 0.1282 0.2221 0.3840 ( 6688 PWs) bands (ev): -36.0556 -36.0556 -36.0556 -36.0556 -35.6386 -35.6386 -35.6386 -35.6386 -17.3093 -17.3093 -17.3082 -17.3082 -16.9583 -16.9583 -16.9498 -16.9498 -16.9361 -16.9361 -16.9251 -16.9251 -16.8777 -16.8777 -16.8701 -16.8701 -16.5270 -16.5270 -16.5259 -16.5259 -16.5094 -16.5094 -16.5078 -16.5078 -1.5424 -1.5424 -1.5422 -1.5422 3.6021 3.6021 3.6038 3.6038 4.7492 4.7492 4.7649 4.7649 5.1275 5.1275 5.1490 5.1490 6.8788 6.8788 6.8911 6.8911 7.1233 7.1233 7.1277 7.1277 7.3441 7.3447 k = 0.1197 0.2073 0.3840 ( 6688 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6386 -35.6386 -35.6386 -35.6386 -17.3092 -17.3092 -17.3082 -17.3082 -16.9569 -16.9569 -16.9483 -16.9483 -16.9353 -16.9353 -16.9253 -16.9253 -16.8790 -16.8790 -16.8718 -16.8718 -16.5268 -16.5268 -16.5259 -16.5259 -16.5095 -16.5095 -16.5081 -16.5081 -1.5552 -1.5552 -1.5550 -1.5550 3.6493 3.6493 3.6510 3.6510 4.7620 4.7620 4.7769 4.7769 5.1112 5.1112 5.1310 5.1310 6.8671 6.8671 6.8786 6.8786 7.1042 7.1042 7.1094 7.1094 7.2870 7.2881 k = 0.1111 0.1925 0.3840 ( 6688 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3091 -17.3091 -17.3082 -17.3082 -16.9555 -16.9555 -16.9469 -16.9469 -16.9345 -16.9345 -16.9254 -16.9254 -16.8804 -16.8804 -16.8735 -16.8735 -16.5266 -16.5266 -16.5258 -16.5258 -16.5095 -16.5095 -16.5084 -16.5084 -1.5675 -1.5675 -1.5673 -1.5673 3.6988 3.6988 3.7005 3.7005 4.7716 4.7716 4.7854 4.7854 5.0939 5.0939 5.1119 5.1119 6.8510 6.8510 6.8614 6.8614 7.0855 7.0855 7.0912 7.0912 7.2383 7.2385 k = 0.1026 0.1776 0.3840 ( 6700 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3090 -17.3090 -17.3083 -17.3083 -16.9541 -16.9541 -16.9456 -16.9456 -16.9336 -16.9336 -16.9254 -16.9254 -16.8817 -16.8817 -16.8752 -16.8752 -16.5264 -16.5264 -16.5257 -16.5257 -16.5097 -16.5097 -16.5086 -16.5086 -1.5793 -1.5793 -1.5792 -1.5792 3.7504 3.7504 3.7520 3.7520 4.7783 4.7783 4.7909 4.7909 5.0753 5.0753 5.0914 5.0914 6.8284 6.8284 6.8374 6.8374 7.0689 7.0689 7.0747 7.0747 7.1990 7.2011 k = 0.0940 0.1628 0.3840 ( 6684 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3089 -17.3089 -17.3083 -17.3083 -16.9527 -16.9527 -16.9445 -16.9445 -16.9325 -16.9325 -16.9254 -16.9254 -16.8831 -16.8831 -16.8769 -16.8769 -16.5261 -16.5261 -16.5255 -16.5255 -16.5098 -16.5098 -16.5089 -16.5089 -1.5905 -1.5905 -1.5904 -1.5904 3.8036 3.8036 3.8052 3.8052 4.7826 4.7826 4.7940 4.7940 5.0552 5.0552 5.0693 5.0693 6.7984 6.7984 6.8057 6.8057 7.0563 7.0563 7.0616 7.0616 7.1684 7.1685 k = 0.0855 0.1480 0.3840 ( 6682 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3088 -17.3088 -17.3083 -17.3083 -16.9513 -16.9513 -16.9435 -16.9435 -16.9313 -16.9313 -16.9253 -16.9253 -16.8845 -16.8845 -16.8786 -16.8786 -16.5259 -16.5259 -16.5254 -16.5254 -16.5099 -16.5099 -16.5092 -16.5092 -1.6011 -1.6011 -1.6009 -1.6009 3.8581 3.8581 3.8597 3.8597 4.7848 4.7848 4.7950 4.7950 5.0332 5.0332 5.0454 5.0454 6.7618 6.7618 6.7674 6.7674 7.0487 7.0487 7.0530 7.0531 7.1451 7.1465 k = 0.0769 0.1332 0.3840 ( 6688 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3088 -17.3088 -17.3083 -17.3083 -16.9500 -16.9500 -16.9428 -16.9428 -16.9301 -16.9301 -16.9252 -16.9252 -16.8858 -16.8858 -16.8803 -16.8803 -16.5257 -16.5257 -16.5253 -16.5253 -16.5100 -16.5100 -16.5094 -16.5094 -1.6108 -1.6108 -1.6107 -1.6107 3.9135 3.9135 3.9151 3.9151 4.7855 4.7855 4.7943 4.7943 5.0092 5.0092 5.0196 5.0196 6.7210 6.7210 6.7252 6.7252 7.0454 7.0454 7.0488 7.0489 7.1269 7.1284 k = 0.0684 0.1184 0.3840 ( 6692 PWs) bands (ev): -36.0557 -36.0557 -36.0557 -36.0557 -35.6385 -35.6385 -35.6385 -35.6385 -17.3087 -17.3087 -17.3083 -17.3083 -16.9488 -16.9488 -16.9421 -16.9421 -16.9289 -16.9289 -16.9250 -16.9250 -16.8871 -16.8871 -16.8820 -16.8820 -16.5255 -16.5255 -16.5252 -16.5252 -16.5101 -16.5101 -16.5097 -16.5097 -1.6197 -1.6197 -1.6197 -1.6197 3.9692 3.9692 3.9708 3.9708 4.7848 4.7848 4.7924 4.7924 4.9833 4.9833 4.9921 4.9921 6.6790 6.6790 6.6820 6.6820 7.0452 7.0452 7.0479 7.0479 7.1118 7.1126 k = 0.0598 0.1036 0.3840 ( 6696 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3087 -17.3087 -17.3083 -17.3083 -16.9476 -16.9476 -16.9417 -16.9417 -16.9276 -16.9276 -16.9248 -16.9248 -16.8884 -16.8884 -16.8837 -16.8837 -16.5252 -16.5252 -16.5251 -16.5251 -16.5103 -16.5103 -16.5099 -16.5099 -1.6278 -1.6278 -1.6277 -1.6277 4.0246 4.0246 4.0262 4.0262 4.7832 4.7832 4.7895 4.7895 4.9558 4.9558 4.9629 4.9629 6.6379 6.6379 6.6401 6.6401 7.0471 7.0471 7.0492 7.0492 7.0999 7.1007 k = 0.0513 0.0888 0.3840 ( 6692 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3086 -17.3086 -17.3083 -17.3083 -16.9465 -16.9465 -16.9413 -16.9413 -16.9264 -16.9264 -16.9245 -16.9245 -16.8895 -16.8895 -16.8852 -16.8852 -16.5251 -16.5251 -16.5249 -16.5249 -16.5104 -16.5104 -16.5101 -16.5101 -1.6348 -1.6348 -1.6348 -1.6348 4.0787 4.0787 4.0803 4.0803 4.7807 4.7807 4.7859 4.7859 4.9271 4.9271 4.9328 4.9328 6.5998 6.5998 6.6014 6.6014 7.0500 7.0500 7.0516 7.0516 7.0900 7.0909 k = 0.0427 0.0740 0.3840 ( 6700 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3086 -17.3086 -17.3083 -17.3083 -16.9455 -16.9455 -16.9411 -16.9411 -16.9253 -16.9253 -16.9241 -16.9241 -16.8905 -16.8905 -16.8867 -16.8867 -16.5249 -16.5249 -16.5248 -16.5248 -16.5106 -16.5106 -16.5103 -16.5103 -1.6409 -1.6409 -1.6408 -1.6408 4.1307 4.1307 4.1322 4.1322 4.7774 4.7774 4.7814 4.7814 4.8983 4.8983 4.9025 4.9025 6.5658 6.5658 6.5670 6.5670 7.0532 7.0532 7.0544 7.0545 7.0822 7.0831 k = 0.0342 0.0592 0.3840 ( 6696 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3085 -17.3085 -17.3083 -17.3083 -16.9445 -16.9445 -16.9410 -16.9410 -16.9243 -16.9243 -16.9237 -16.9237 -16.8912 -16.8912 -16.8881 -16.8881 -16.5247 -16.5247 -16.5247 -16.5247 -16.5107 -16.5107 -16.5105 -16.5105 -1.6459 -1.6459 -1.6459 -1.6459 4.1788 4.1788 4.1803 4.1803 4.7731 4.7731 4.7759 4.7759 4.8710 4.8710 4.8739 4.8739 6.5369 6.5369 6.5378 6.5378 7.0562 7.0563 7.0571 7.0572 7.0765 7.0768 k = 0.0256 0.0444 0.3840 ( 6710 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3085 -17.3085 -17.3083 -17.3083 -16.9437 -16.9437 -16.9411 -16.9411 -16.9236 -16.9236 -16.9233 -16.9233 -16.8918 -16.8918 -16.8893 -16.8893 -16.5247 -16.5247 -16.5246 -16.5246 -16.5108 -16.5108 -16.5106 -16.5106 -1.6499 -1.6499 -1.6498 -1.6498 4.2213 4.2213 4.2226 4.2226 4.7672 4.7672 4.7691 4.7691 4.8475 4.8475 4.8491 4.8491 6.5139 6.5139 6.5146 6.5146 7.0586 7.0586 7.0591 7.0593 7.0718 7.0722 k = 0.0171 0.0296 0.3840 ( 6710 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3085 -17.3085 -17.3084 -17.3084 -16.9430 -16.9430 -16.9412 -16.9412 -16.9231 -16.9231 -16.9230 -16.9230 -16.8921 -16.8921 -16.8904 -16.8904 -16.5246 -16.5246 -16.5246 -16.5246 -16.5108 -16.5108 -16.5107 -16.5107 -1.6527 -1.6527 -1.6527 -1.6527 4.2553 4.2553 4.2563 4.2563 4.7598 4.7598 4.7610 4.7610 4.8304 4.8304 4.8309 4.8309 6.4971 6.4971 6.4976 6.4976 7.0599 7.0599 7.0602 7.0603 7.0694 7.0695 k = 0.0085 0.0148 0.3840 ( 6710 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3084 -17.3084 -17.3084 -17.3084 -16.9424 -16.9424 -16.9415 -16.9415 -16.9227 -16.9227 -16.9227 -16.9227 -16.8921 -16.8921 -16.8912 -16.8912 -16.5245 -16.5245 -16.5245 -16.5245 -16.5108 -16.5108 -16.5108 -16.5108 -1.6544 -1.6544 -1.6544 -1.6544 4.2779 4.2779 4.2784 4.2784 4.7530 4.7530 4.7536 4.7536 4.8205 4.8205 4.8206 4.8206 6.4870 6.4870 6.4873 6.4873 7.0602 7.0602 7.0603 7.0604 7.0685 7.0686 k = 0.0000 0.0000 0.3840 ( 6702 PWs) bands (ev): -36.0558 -36.0558 -36.0558 -36.0558 -35.6385 -35.6385 -35.6385 -35.6385 -17.3084 -17.3084 -17.3084 -17.3084 -16.9419 -16.9419 -16.9419 -16.9419 -16.9226 -16.9226 -16.9226 -16.9226 -16.8918 -16.8918 -16.8918 -16.8918 -16.5245 -16.5245 -16.5245 -16.5245 -16.5108 -16.5108 -16.5108 -16.5108 -1.6550 -1.6550 -1.6550 -1.6550 4.2860 4.2860 4.2860 4.2860 4.7503 4.7503 4.7503 4.7503 4.8174 4.8174 4.8174 4.8174 6.4837 6.4837 6.4837 6.4837 7.0601 7.0601 7.0602 7.0603 7.0684 7.0684 k = 0.5000 0.2887 0.3840 ( 6692 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6387 -35.6387 -35.6387 -35.6387 -17.3092 -17.3092 -17.3092 -17.3092 -16.9709 -16.9709 -16.9709 -16.9709 -16.9333 -16.9333 -16.9333 -16.9333 -16.8577 -16.8577 -16.8577 -16.8577 -16.5271 -16.5271 -16.5271 -16.5271 -16.5077 -16.5077 -16.5077 -16.5077 -1.3687 -1.3687 -1.3687 -1.3687 3.0783 3.0783 3.0783 3.0783 4.9027 4.9027 4.9027 4.9027 5.0251 5.0251 5.0251 5.0251 6.6679 6.6679 6.6679 6.6679 7.5746 7.5746 7.5746 7.5748 7.6614 7.6614 k = 0.5000 0.2887 0.3665 ( 6704 PWs) bands (ev): -36.0560 -36.0560 -36.0549 -36.0549 -35.6388 -35.6388 -35.6387 -35.6387 -17.3110 -17.3110 -17.3075 -17.3075 -16.9741 -16.9741 -16.9677 -16.9677 -16.9353 -16.9353 -16.9312 -16.9312 -16.8590 -16.8590 -16.8565 -16.8565 -16.5275 -16.5275 -16.5267 -16.5267 -16.5080 -16.5080 -16.5075 -16.5075 -1.3749 -1.3749 -1.3629 -1.3629 3.0508 3.0508 3.1089 3.1089 4.8833 4.8833 4.9213 4.9213 4.9838 4.9838 5.0683 5.0683 6.6310 6.6310 6.6971 6.6971 7.5448 7.5448 7.6052 7.6052 7.6402 7.6402 k = 0.5000 0.2887 0.3491 ( 6704 PWs) bands (ev): -36.0565 -36.0565 -36.0544 -36.0544 -35.6388 -35.6388 -35.6387 -35.6387 -17.3128 -17.3128 -17.3059 -17.3059 -16.9772 -16.9772 -16.9644 -16.9644 -16.9373 -16.9373 -16.9290 -16.9290 -16.8603 -16.8603 -16.8554 -16.8554 -16.5278 -16.5278 -16.5264 -16.5264 -16.5082 -16.5082 -16.5073 -16.5073 -1.3814 -1.3814 -1.3575 -1.3575 3.0264 3.0264 3.1428 3.1428 4.8634 4.8634 4.9317 4.9317 4.9533 4.9533 5.1118 5.1118 6.5878 6.5878 6.7176 6.7176 7.5161 7.5161 7.6242 7.6242 7.6366 7.6366 k = 0.5000 0.2887 0.3316 ( 6696 PWs) bands (ev): -36.0569 -36.0569 -36.0539 -36.0539 -35.6388 -35.6388 -35.6387 -35.6387 -17.3147 -17.3147 -17.3043 -17.3043 -16.9803 -16.9803 -16.9612 -16.9612 -16.9391 -16.9391 -16.9267 -16.9267 -16.8616 -16.8616 -16.8542 -16.8542 -16.5282 -16.5282 -16.5260 -16.5260 -16.5085 -16.5085 -16.5070 -16.5070 -1.3883 -1.3883 -1.3525 -1.3525 3.0049 3.0049 3.1799 3.1799 4.8419 4.8419 4.9039 4.9039 4.9649 4.9649 5.1546 5.1546 6.5396 6.5396 6.7289 6.7289 7.4885 7.4885 7.6156 7.6156 7.6687 7.6692 k = 0.5000 0.2887 0.3142 ( 6690 PWs) bands (ev): -36.0574 -36.0574 -36.0535 -36.0535 -35.6388 -35.6388 -35.6387 -35.6387 -17.3166 -17.3166 -17.3028 -17.3028 -16.9834 -16.9834 -16.9581 -16.9581 -16.9408 -16.9408 -16.9243 -16.9243 -16.8629 -16.8629 -16.8531 -16.8531 -16.5286 -16.5286 -16.5256 -16.5256 -16.5087 -16.5087 -16.5068 -16.5068 -1.3953 -1.3953 -1.3480 -1.3480 2.9863 2.9863 3.2202 3.2202 4.8180 4.8180 4.8741 4.8741 4.9841 4.9841 5.1952 5.1952 6.4876 6.4876 6.7312 6.7312 7.4622 7.4622 7.6155 7.6155 7.7013 7.7069 k = 0.5000 0.2887 0.2967 ( 6696 PWs) bands (ev): -36.0579 -36.0579 -36.0530 -36.0530 -35.6388 -35.6388 -35.6387 -35.6387 -17.3185 -17.3185 -17.3014 -17.3014 -16.9863 -16.9863 -16.9550 -16.9550 -16.9424 -16.9424 -16.9219 -16.9219 -16.8643 -16.8643 -16.8521 -16.8521 -16.5289 -16.5289 -16.5252 -16.5252 -16.5089 -16.5089 -16.5066 -16.5066 -1.4025 -1.4025 -1.3440 -1.3440 2.9702 2.9702 3.2638 3.2638 4.7914 4.7914 4.8497 4.8497 5.0041 5.0041 5.2324 5.2324 6.4327 6.4327 6.7262 6.7262 7.4371 7.4371 7.6240 7.6240 7.7347 7.7634 k = 0.5000 0.2887 0.2793 ( 6684 PWs) bands (ev): -36.0584 -36.0584 -36.0525 -36.0525 -35.6388 -35.6388 -35.6386 -35.6386 -17.3204 -17.3204 -17.3001 -17.3001 -16.9891 -16.9891 -16.9520 -16.9520 -16.9439 -16.9439 -16.9194 -16.9194 -16.8656 -16.8656 -16.8511 -16.8511 -16.5293 -16.5293 -16.5249 -16.5249 -16.5092 -16.5092 -16.5064 -16.5064 -1.4099 -1.4099 -1.3404 -1.3404 2.9566 2.9566 3.3106 3.3106 4.7635 4.7635 4.8301 4.8301 5.0243 5.0243 5.2646 5.2646 6.3757 6.3757 6.7165 6.7165 7.4135 7.4135 7.6401 7.6401 7.7773 7.7776 k = 0.5000 0.2887 0.2618 ( 6698 PWs) bands (ev): -36.0588 -36.0588 -36.0521 -36.0521 -35.6388 -35.6388 -35.6386 -35.6386 -17.3223 -17.3223 -17.2988 -17.2988 -16.9919 -16.9919 -16.9492 -16.9492 -16.9454 -16.9454 -16.9170 -16.9170 -16.8670 -16.8670 -16.8502 -16.8502 -16.5296 -16.5296 -16.5246 -16.5246 -16.5094 -16.5094 -16.5062 -16.5062 -1.4172 -1.4172 -1.3373 -1.3373 2.9453 2.9453 3.3605 3.3605 4.7362 4.7362 4.8136 4.8136 5.0446 5.0446 5.2900 5.2900 6.3175 6.3175 6.7055 6.7055 7.3913 7.3913 7.6623 7.6623 7.7841 7.7842 k = 0.5000 0.2887 0.2443 ( 6698 PWs) bands (ev): -36.0593 -36.0593 -36.0516 -36.0516 -35.6388 -35.6388 -35.6386 -35.6386 -17.3242 -17.3242 -17.2977 -17.2977 -16.9944 -16.9944 -16.9472 -16.9472 -16.9458 -16.9458 -16.9145 -16.9145 -16.8684 -16.8684 -16.8493 -16.8493 -16.5299 -16.5299 -16.5242 -16.5242 -16.5097 -16.5097 -16.5060 -16.5060 -1.4246 -1.4246 -1.3346 -1.3346 2.9360 2.9360 3.4134 3.4134 4.7109 4.7109 4.7993 4.7993 5.0647 5.0647 5.3069 5.3069 6.2587 6.2587 6.6968 6.6968 7.3709 7.3709 7.6883 7.6883 7.7866 7.7866 k = 0.5000 0.2887 0.2269 ( 6704 PWs) bands (ev): -36.0597 -36.0597 -36.0512 -36.0512 -35.6388 -35.6388 -35.6386 -35.6386 -17.3261 -17.3261 -17.2966 -17.2966 -16.9969 -16.9969 -16.9482 -16.9482 -16.9434 -16.9434 -16.9121 -16.9121 -16.8697 -16.8697 -16.8485 -16.8485 -16.5303 -16.5303 -16.5239 -16.5239 -16.5099 -16.5099 -16.5059 -16.5059 -1.4318 -1.4318 -1.3323 -1.3323 2.9285 2.9285 3.4692 3.4692 4.6883 4.6883 4.7865 4.7865 5.0845 5.0845 5.3139 5.3139 6.1998 6.1998 6.6935 6.6935 7.3521 7.3521 7.7158 7.7158 7.7858 7.7858 k = 0.5000 0.2887 0.2094 ( 6688 PWs) bands (ev): -36.0601 -36.0601 -36.0508 -36.0508 -35.6389 -35.6389 -35.6386 -35.6386 -17.3279 -17.3279 -17.2956 -17.2956 -16.9991 -16.9991 -16.9492 -16.9492 -16.9408 -16.9408 -16.9097 -16.9097 -16.8710 -16.8710 -16.8477 -16.8477 -16.5306 -16.5306 -16.5236 -16.5236 -16.5101 -16.5101 -16.5057 -16.5057 -1.4388 -1.4388 -1.3304 -1.3304 2.9226 2.9226 3.5277 3.5277 4.6686 4.6686 4.7750 4.7750 5.1037 5.1037 5.3098 5.3098 6.1415 6.1415 6.6983 6.6983 7.3352 7.3352 7.7408 7.7408 7.7807 7.7824 k = 0.5000 0.2887 0.1920 ( 6688 PWs) bands (ev): -36.0604 -36.0604 -36.0504 -36.0504 -35.6389 -35.6389 -35.6386 -35.6386 -17.3296 -17.3296 -17.2948 -17.2948 -17.0012 -17.0012 -16.9503 -16.9503 -16.9383 -16.9383 -16.9075 -16.9075 -16.8722 -16.8722 -16.8469 -16.8469 -16.5308 -16.5308 -16.5233 -16.5233 -16.5104 -16.5104 -16.5056 -16.5056 -1.4456 -1.4456 -1.3289 -1.3289 2.9181 2.9181 3.5886 3.5886 4.6521 4.6521 4.7647 4.7647 5.1219 5.1219 5.2944 5.2944 6.0843 6.0843 6.7129 6.7129 7.3203 7.3203 7.7198 7.7198 7.7693 7.7694 k = 0.5000 0.2887 0.1745 ( 6686 PWs) bands (ev): -36.0608 -36.0608 -36.0501 -36.0501 -35.6389 -35.6389 -35.6386 -35.6386 -17.3312 -17.3312 -17.2940 -17.2940 -17.0031 -17.0031 -16.9513 -16.9513 -16.9360 -16.9360 -16.9055 -16.9055 -16.8734 -16.8734 -16.8463 -16.8463 -16.5311 -16.5311 -16.5230 -16.5230 -16.5106 -16.5106 -16.5054 -16.5054 -1.4521 -1.4521 -1.3276 -1.3276 2.9147 2.9147 3.6518 3.6518 4.6387 4.6387 4.7555 4.7555 5.1384 5.1384 5.2686 5.2686 6.0288 6.0288 6.7379 6.7379 7.3075 7.3075 7.6711 7.6711 7.7698 7.7707 k = 0.5000 0.2887 0.1571 ( 6686 PWs) bands (ev): -36.0611 -36.0611 -36.0498 -36.0498 -35.6389 -35.6389 -35.6386 -35.6386 -17.3327 -17.3327 -17.2932 -17.2932 -17.0049 -17.0049 -16.9521 -16.9521 -16.9337 -16.9337 -16.9036 -16.9036 -16.8745 -16.8745 -16.8457 -16.8457 -16.5313 -16.5313 -16.5227 -16.5227 -16.5108 -16.5108 -16.5053 -16.5053 -1.4582 -1.4582 -1.3267 -1.3267 2.9123 2.9123 3.7168 3.7168 4.6282 4.6282 4.7472 4.7472 5.1507 5.1507 5.2357 5.2357 5.9755 5.9755 6.7730 6.7730 7.2968 7.2968 7.6239 7.6239 7.7630 7.7645 k = 0.5000 0.2887 0.1396 ( 6690 PWs) bands (ev): -36.0614 -36.0614 -36.0495 -36.0495 -35.6389 -35.6389 -35.6386 -35.6386 -17.3342 -17.3342 -17.2926 -17.2926 -17.0065 -17.0065 -16.9529 -16.9529 -16.9316 -16.9316 -16.9020 -16.9020 -16.8755 -16.8755 -16.8452 -16.8452 -16.5316 -16.5316 -16.5225 -16.5225 -16.5110 -16.5110 -16.5052 -16.5052 -1.4638 -1.4638 -1.3259 -1.3259 2.9106 2.9106 3.7832 3.7832 4.6206 4.6206 4.7400 4.7400 5.1476 5.1476 5.2084 5.2084 5.9251 5.9251 6.8172 6.8172 7.2885 7.2885 7.5792 7.5792 7.7556 7.7556 k = 0.5000 0.2887 0.1222 ( 6686 PWs) bands (ev): -36.0616 -36.0616 -36.0492 -36.0492 -35.6389 -35.6389 -35.6386 -35.6386 -17.3354 -17.3354 -17.2920 -17.2920 -17.0078 -17.0078 -16.9536 -16.9536 -16.9296 -16.9296 -16.9006 -16.9006 -16.8763 -16.8763 -16.8447 -16.8447 -16.5318 -16.5318 -16.5223 -16.5223 -16.5111 -16.5111 -16.5051 -16.5051 -1.4689 -1.4689 -1.3254 -1.3254 2.9095 2.9095 3.8504 3.8504 4.6155 4.6155 4.7338 4.7338 5.1114 5.1114 5.2061 5.2061 5.8783 5.8783 6.8692 6.8692 7.2826 7.2826 7.5374 7.5374 7.7482 7.7482 k = 0.5000 0.2887 0.1047 ( 6694 PWs) bands (ev): -36.0619 -36.0619 -36.0490 -36.0490 -35.6389 -35.6389 -35.6386 -35.6386 -17.3366 -17.3366 -17.2916 -17.2916 -17.0091 -17.0091 -16.9542 -16.9542 -16.9279 -16.9279 -16.8995 -16.8995 -16.8770 -16.8770 -16.8443 -16.8443 -16.5320 -16.5320 -16.5221 -16.5221 -16.5113 -16.5113 -16.5050 -16.5050 -1.4734 -1.4734 -1.3250 -1.3250 2.9088 2.9088 3.9175 3.9175 4.6126 4.6126 4.7285 4.7285 5.0580 5.0580 5.2148 5.2148 5.8357 5.8357 6.9273 6.9273 7.2791 7.2791 7.4987 7.4987 7.7409 7.7409 k = 0.5000 0.2887 0.0873 ( 6686 PWs) bands (ev): -36.0621 -36.0621 -36.0488 -36.0488 -35.6389 -35.6389 -35.6386 -35.6386 -17.3376 -17.3376 -17.2912 -17.2912 -17.0101 -17.0101 -16.9547 -16.9547 -16.9263 -16.9263 -16.8987 -16.8987 -16.8775 -16.8775 -16.8439 -16.8439 -16.5321 -16.5321 -16.5219 -16.5219 -16.5114 -16.5114 -16.5049 -16.5049 -1.4773 -1.4773 -1.3248 -1.3248 2.9084 2.9084 3.9835 3.9835 4.6113 4.6113 4.7242 4.7242 4.9994 4.9994 5.2249 5.2249 5.7980 5.7980 6.9897 6.9897 7.2783 7.2783 7.4633 7.4633 7.7282 7.7283 k = 0.5000 0.2887 0.0698 ( 6686 PWs) bands (ev): -36.0622 -36.0622 -36.0487 -36.0487 -35.6389 -35.6389 -35.6386 -35.6386 -17.3384 -17.3384 -17.2908 -17.2908 -17.0109 -17.0109 -16.9551 -16.9551 -16.9249 -16.9249 -16.8981 -16.8981 -16.8779 -16.8779 -16.8436 -16.8436 -16.5322 -16.5322 -16.5217 -16.5217 -16.5115 -16.5115 -16.5049 -16.5049 -1.4806 -1.4806 -1.3246 -1.3246 2.9082 2.9082 4.0464 4.0464 4.6112 4.6112 4.7207 4.7207 4.9404 4.9404 5.2340 5.2340 5.7660 5.7660 7.0542 7.0542 7.2801 7.2801 7.4315 7.4315 7.6887 7.6887 k = 0.5000 0.2887 0.0524 ( 6698 PWs) bands (ev): -36.0623 -36.0623 -36.0485 -36.0485 -35.6389 -35.6389 -35.6386 -35.6386 -17.3391 -17.3391 -17.2906 -17.2906 -17.0116 -17.0116 -16.9555 -16.9555 -16.9238 -16.9238 -16.8978 -16.8978 -16.8781 -16.8781 -16.8434 -16.8434 -16.5324 -16.5324 -16.5216 -16.5216 -16.5117 -16.5117 -16.5048 -16.5048 -1.4832 -1.4832 -1.3245 -1.3245 2.9082 2.9082 4.1037 4.1037 4.6120 4.6120 4.7182 4.7182 4.8850 4.8850 5.2414 5.2414 5.7402 5.7402 7.1181 7.1181 7.2842 7.2843 7.4037 7.4037 7.6415 7.6415 k = 0.5000 0.2887 0.0349 ( 6692 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3395 -17.3395 -17.2904 -17.2904 -17.0120 -17.0120 -16.9557 -16.9557 -16.9230 -16.9230 -16.8976 -16.8976 -16.8782 -16.8782 -16.8432 -16.8432 -16.5324 -16.5324 -16.5215 -16.5215 -16.5117 -16.5117 -16.5048 -16.5048 -1.4850 -1.4850 -1.3245 -1.3245 2.9082 2.9082 4.1512 4.1512 4.6131 4.6131 4.7165 4.7165 4.8380 4.8380 5.2469 5.2469 5.7213 5.7213 7.1770 7.1770 7.2904 7.2904 7.3806 7.3806 7.5940 7.5940 k = 0.5000 0.2887 0.0175 ( 6696 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3398 -17.3398 -17.2903 -17.2903 -17.0123 -17.0123 -16.9558 -16.9558 -16.9225 -16.9225 -16.8975 -16.8975 -16.8783 -16.8783 -16.8431 -16.8431 -16.5325 -16.5325 -16.5215 -16.5215 -16.5118 -16.5118 -16.5048 -16.5048 -1.4862 -1.4862 -1.3245 -1.3245 2.9082 2.9082 4.1836 4.1836 4.6141 4.6141 4.7157 4.7157 4.8054 4.8054 5.2503 5.2503 5.7098 5.7098 7.2226 7.2226 7.2968 7.2968 7.3640 7.3640 7.5550 7.5550 k = 0.5000 0.2887-0.0000 ( 6708 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6389 -35.6389 -35.6386 -35.6386 -17.3399 -17.3399 -17.2903 -17.2903 -17.0124 -17.0124 -16.9559 -16.9559 -16.9223 -16.9223 -16.8975 -16.8975 -16.8783 -16.8783 -16.8431 -16.8431 -16.5325 -16.5325 -16.5215 -16.5215 -16.5118 -16.5118 -16.5048 -16.5048 -1.4865 -1.4865 -1.3245 -1.3245 2.9082 2.9082 4.1953 4.1953 4.6146 4.6146 4.7154 4.7154 4.7935 4.7935 5.2514 5.2514 5.7059 5.7059 7.2408 7.2408 7.2999 7.2999 7.3574 7.3574 7.5389 7.5389 k = 0.3333 0.5774-0.0000 ( 6735 PWs) bands (ev): -36.0625 -36.0625 -36.0484 -36.0484 -35.6388 -35.6388 -35.6388 -35.6388 -17.3404 -17.3404 -17.2900 -17.2900 -17.0072 -17.0072 -16.9770 -16.9770 -16.9215 -16.9170 -16.8861 -16.8861 -16.8726 -16.8726 -16.8524 -16.8463 -16.5286 -16.5286 -16.5259 -16.5259 -16.5099 -16.5099 -16.5069 -16.5052 -1.3734 -1.3727 -1.3716 -1.3716 3.0984 3.0984 3.9670 3.9692 4.0160 4.0160 4.8563 4.8563 4.8639 4.8684 5.0997 5.0997 6.1556 6.1556 6.7210 6.7210 7.3893 7.3901 7.4003 7.4003 7.9896 7.9896 k = 0.3333 0.5774 0.0175 ( 6729 PWs) bands (ev): -36.0624 -36.0624 -36.0484 -36.0484 -35.6388 -35.6388 -35.6388 -35.6388 -17.3403 -17.3403 -17.2900 -17.2900 -17.0071 -17.0071 -16.9770 -16.9770 -16.9215 -16.9171 -16.8864 -16.8864 -16.8724 -16.8724 -16.8523 -16.8463 -16.5286 -16.5286 -16.5259 -16.5259 -16.5098 -16.5098 -16.5068 -16.5052 -1.3732 -1.3725 -1.3714 -1.3714 3.0999 3.0999 3.9628 3.9649 4.0114 4.0114 4.8610 4.8610 4.8683 4.8728 5.0917 5.0917 6.1645 6.1645 6.7221 6.7221 7.3898 7.3906 7.4007 7.4007 7.9879 7.9879 k = 0.3333 0.5774 0.0349 ( 6738 PWs) bands (ev): -36.0624 -36.0624 -36.0485 -36.0485 -35.6388 -35.6388 -35.6388 -35.6388 -17.3400 -17.3400 -17.2902 -17.2902 -17.0069 -17.0069 -16.9770 -16.9770 -16.9214 -16.9171 -16.8873 -16.8873 -16.8721 -16.8721 -16.8523 -16.8464 -16.5286 -16.5286 -16.5259 -16.5259 -16.5099 -16.5099 -16.5069 -16.5052 -1.3727 -1.3719 -1.3708 -1.3708 3.1045 3.1045 3.9505 3.9525 3.9979 3.9979 4.8744 4.8744 4.8811 4.8855 5.0689 5.0689 6.1901 6.1901 6.7256 6.7256 7.3911 7.3919 7.4020 7.4020 7.9828 7.9828 k = 0.3333 0.5774 0.0524 ( 6720 PWs) bands (ev): -36.0623 -36.0623 -36.0485 -36.0485 -35.6388 -35.6388 -35.6388 -35.6388 -17.3396 -17.3396 -17.2903 -17.2903 -17.0064 -17.0064 -16.9770 -16.9769 -16.9214 -16.9171 -16.8886 -16.8886 -16.8715 -16.8715 -16.8523 -16.8464 -16.5286 -16.5286 -16.5259 -16.5259 -16.5099 -16.5099 -16.5068 -16.5052 -1.3717 -1.3710 -1.3699 -1.3699 3.1120 3.1120 3.9310 3.9328 3.9767 3.9767 4.8949 4.8949 4.9016 4.9058 5.0337 5.0337 6.2305 6.2305 6.7314 6.7314 7.3934 7.3942 7.4042 7.4042 7.9745 7.9745 k = 0.3333 0.5774 0.0698 ( 6717 PWs) bands (ev): -36.0622 -36.0622 -36.0487 -36.0487 -35.6388 -35.6388 -35.6388 -35.6388 -17.3389 -17.3389 -17.2906 -17.2906 -17.0057 -17.0057 -16.9770 -16.9769 -16.9213 -16.9171 -16.8904 -16.8904 -16.8708 -16.8708 -16.8523 -16.8465 -16.5285 -16.5285 -16.5259 -16.5259 -16.5099 -16.5099 -16.5068 -16.5052 -1.3705 -1.3697 -1.3686 -1.3686 3.1225 3.1225 3.9055 3.9071 3.9491 3.9491 4.9174 4.9174 4.9283 4.9323 4.9925 4.9925 6.2829 6.2829 6.7395 6.7395 7.3965 7.3973 7.4071 7.4071 7.9630 7.9630 k = 0.3333 0.5774 0.0873 ( 6711 PWs) bands (ev): -36.0620 -36.0620 -36.0488 -36.0488 -35.6388 -35.6388 -35.6388 -35.6388 -17.3380 -17.3380 -17.2909 -17.2909 -17.0049 -17.0049 -16.9770 -16.9769 -16.9212 -16.9171 -16.8925 -16.8925 -16.8702 -16.8702 -16.8522 -16.8465 -16.5285 -16.5285 -16.5258 -16.5258 -16.5099 -16.5099 -16.5068 -16.5052 -1.3689 -1.3682 -1.3671 -1.3671 3.1360 3.1360 3.8754 3.8768 3.9168 3.9168 4.9104 4.9104 4.9599 4.9636 4.9778 4.9778 6.3445 6.3445 6.7498 6.7498 7.4007 7.4014 7.4110 7.4110 7.9485 7.9485 k = 0.3333 0.5774 0.1047 ( 6708 PWs) bands (ev): -36.0618 -36.0618 -36.0490 -36.0490 -35.6388 -35.6388 -35.6388 -35.6388 -17.3371 -17.3371 -17.2913 -17.2913 -17.0039 -17.0039 -16.9769 -16.9769 -16.9211 -16.9171 -16.8949 -16.8949 -16.8695 -16.8695 -16.8522 -16.8466 -16.5284 -16.5284 -16.5258 -16.5258 -16.5099 -16.5099 -16.5068 -16.5052 -1.3670 -1.3663 -1.3652 -1.3652 3.1524 3.1524 3.8419 3.8431 3.8812 3.8812 4.8578 4.8578 4.9949 4.9984 5.0063 5.0063 6.4131 6.4131 6.7623 6.7623 7.4057 7.4065 7.4158 7.4158 7.9313 7.9313 k = 0.3333 0.5774 0.1222 ( 6699 PWs) bands (ev): -36.0616 -36.0616 -36.0492 -36.0492 -35.6388 -35.6388 -35.6388 -35.6388 -17.3359 -17.3359 -17.2918 -17.2918 -17.0026 -17.0026 -16.9769 -16.9769 -16.9210 -16.9171 -16.8975 -16.8975 -16.8688 -16.8688 -16.8521 -16.8468 -16.5283 -16.5283 -16.5258 -16.5258 -16.5099 -16.5099 -16.5067 -16.5053 -1.3649 -1.3642 -1.3631 -1.3631 3.1718 3.1718 3.8063 3.8073 3.8435 3.8435 4.7944 4.7944 5.0322 5.0354 5.0438 5.0438 6.4865 6.4865 6.7771 6.7771 7.4118 7.4125 7.4215 7.4215 7.9116 7.9116 k = 0.3333 0.5774 0.1396 ( 6705 PWs) bands (ev): -36.0613 -36.0613 -36.0495 -36.0495 -35.6388 -35.6388 -35.6388 -35.6388 -17.3347 -17.3347 -17.2923 -17.2923 -17.0013 -17.0013 -16.9769 -16.9769 -16.9209 -16.9172 -16.9003 -16.9003 -16.8683 -16.8683 -16.8520 -16.8469 -16.5282 -16.5282 -16.5258 -16.5258 -16.5100 -16.5100 -16.5067 -16.5053 -1.3626 -1.3619 -1.3608 -1.3608 3.1940 3.1940 3.7695 3.7704 3.8049 3.8049 4.7268 4.7268 5.0707 5.0736 5.0836 5.0836 6.5633 6.5633 6.7939 6.7939 7.4188 7.4195 7.4281 7.4281 7.8897 7.8897 k = 0.3333 0.5774 0.1571 ( 6711 PWs) bands (ev): -36.0610 -36.0610 -36.0498 -36.0498 -35.6388 -35.6388 -35.6388 -35.6388 -17.3333 -17.3333 -17.2930 -17.2930 -16.9997 -16.9997 -16.9769 -16.9769 -16.9208 -16.9172 -16.9034 -16.9034 -16.8678 -16.8678 -16.8520 -16.8471 -16.5282 -16.5282 -16.5258 -16.5258 -16.5100 -16.5100 -16.5067 -16.5053 -1.3601 -1.3594 -1.3583 -1.3583 3.2191 3.2191 3.7326 3.7333 3.7663 3.7663 4.6570 4.6570 5.1093 5.1120 5.1239 5.1239 6.6421 6.6421 6.8128 6.8128 7.4268 7.4275 7.4356 7.4356 7.8661 7.8661 k = 0.3333 0.5774 0.1745 ( 6723 PWs) bands (ev): -36.0607 -36.0607 -36.0501 -36.0501 -35.6388 -35.6388 -35.6388 -35.6388 -17.3317 -17.3317 -17.2937 -17.2937 -16.9980 -16.9980 -16.9769 -16.9769 -16.9207 -16.9173 -16.9065 -16.9065 -16.8673 -16.8673 -16.8519 -16.8473 -16.5281 -16.5281 -16.5258 -16.5258 -16.5101 -16.5101 -16.5067 -16.5054 -1.3574 -1.3569 -1.3557 -1.3557 3.2470 3.2470 3.6961 3.6967 3.7283 3.7283 4.5860 4.5860 5.1474 5.1498 5.1637 5.1637 6.7215 6.7215 6.8338 6.8338 7.4358 7.4365 7.4441 7.4441 7.8414 7.8414 k = 0.3333 0.5774 0.1920 ( 6723 PWs) bands (ev): -36.0604 -36.0604 -36.0504 -36.0504 -35.6388 -35.6388 -35.6388 -35.6388 -17.3301 -17.3301 -17.2945 -17.2945 -16.9961 -16.9961 -16.9769 -16.9769 -16.9206 -16.9174 -16.9099 -16.9099 -16.8669 -16.8669 -16.8518 -16.8475 -16.5280 -16.5280 -16.5258 -16.5258 -16.5101 -16.5101 -16.5066 -16.5054 -1.3548 -1.3542 -1.3530 -1.3530 3.2776 3.2776 3.6608 3.6613 3.6917 3.6917 4.5145 4.5145 5.1842 5.1863 5.2023 5.2023 6.8002 6.8002 6.8568 6.8568 7.4457 7.4464 7.4534 7.4534 7.8161 7.8161 k = 0.3333 0.5774 0.2094 ( 6723 PWs) bands (ev): -36.0600 -36.0600 -36.0508 -36.0508 -35.6388 -35.6388 -35.6388 -35.6388 -17.3284 -17.3284 -17.2954 -17.2954 -16.9941 -16.9941 -16.9769 -16.9769 -16.9204 -16.9175 -16.9133 -16.9133 -16.8665 -16.8665 -16.8517 -16.8477 -16.5279 -16.5279 -16.5258 -16.5258 -16.5101 -16.5101 -16.5066 -16.5055 -1.3521 -1.3516 -1.3503 -1.3503 3.3110 3.3110 3.6271 3.6275 3.6568 3.6568 4.4430 4.4430 5.2192 5.2211 5.2389 5.2389 6.8730 6.8730 6.8860 6.8860 7.4565 7.4571 7.4635 7.4635 7.7913 7.7913 k = 0.3333 0.5774 0.2269 ( 6693 PWs) bands (ev): -36.0596 -36.0596 -36.0512 -36.0512 -35.6388 -35.6388 -35.6388 -35.6388 -17.3266 -17.3266 -17.2964 -17.2964 -16.9919 -16.9919 -16.9768 -16.9768 -16.9202 -16.9175 -16.9167 -16.9167 -16.8661 -16.8661 -16.8516 -16.8479 -16.5278 -16.5278 -16.5258 -16.5258 -16.5101 -16.5101 -16.5065 -16.5055 -1.3494 -1.3490 -1.3477 -1.3477 3.3470 3.3470 3.5955 3.5958 3.6242 3.6242 4.3718 4.3718 5.2520 5.2537 5.2732 5.2732 6.9058 6.9058 6.9535 6.9535 7.4680 7.4686 7.4743 7.4743 7.7680 7.7680 k = 0.3333 0.5774 0.2443 ( 6681 PWs) bands (ev): -36.0592 -36.0592 -36.0516 -36.0516 -35.6388 -35.6388 -35.6388 -35.6388 -17.3247 -17.3247 -17.2974 -17.2974 -16.9896 -16.9896 -16.9768 -16.9768 -16.9202 -16.9202 -16.9200 -16.9176 -16.8658 -16.8658 -16.8514 -16.8481 -16.5277 -16.5277 -16.5258 -16.5258 -16.5101 -16.5101 -16.5064 -16.5055 -1.3469 -1.3465 -1.3452 -1.3452 3.3856 3.3856 3.5663 3.5665 3.5942 3.5942 4.3012 4.3012 5.2821 5.2836 5.3048 5.3048 6.9338 6.9338 7.0223 7.0223 7.4800 7.4805 7.4856 7.4856 7.7476 7.7476 k = 0.3333 0.5774 0.2618 ( 6687 PWs) bands (ev): -36.0588 -36.0588 -36.0520 -36.0520 -35.6388 -35.6388 -35.6388 -35.6388 -17.3228 -17.3228 -17.2985 -17.2985 -16.9872 -16.9872 -16.9768 -16.9768 -16.9237 -16.9237 -16.9199 -16.9177 -16.8656 -16.8656 -16.8513 -16.8483 -16.5276 -16.5276 -16.5258 -16.5258 -16.5102 -16.5102 -16.5064 -16.5056 -1.3445 -1.3441 -1.3428 -1.3428 3.4265 3.4265 3.5398 3.5400 3.5672 3.5672 4.2316 4.2316 5.3093 5.3106 5.3332 5.3332 6.9627 6.9627 7.0841 7.0841 7.4923 7.4928 7.4971 7.4971 7.7324 7.7324 k = 0.3333 0.5774 0.2793 ( 6693 PWs) bands (ev): -36.0583 -36.0583 -36.0525 -36.0525 -35.6388 -35.6388 -35.6388 -35.6388 -17.3210 -17.3210 -17.2998 -17.2998 -16.9849 -16.9849 -16.9768 -16.9768 -16.9271 -16.9271 -16.9197 -16.9178 -16.8654 -16.8654 -16.8511 -16.8486 -16.5275 -16.5275 -16.5258 -16.5258 -16.5102 -16.5102 -16.5063 -16.5057 -1.3423 -1.3420 -1.3406 -1.3406 3.4696 3.4696 3.5164 3.5166 3.5438 3.5438 4.1630 4.1630 5.3333 5.3344 5.3583 5.3583 6.9926 6.9926 7.1358 7.1358 7.5046 7.5050 7.5086 7.5086 7.7248 7.7248 k = 0.3333 0.5774 0.2967 ( 6687 PWs) bands (ev): -36.0579 -36.0579 -36.0529 -36.0529 -35.6388 -35.6388 -35.6388 -35.6388 -17.3191 -17.3191 -17.3011 -17.3011 -16.9825 -16.9825 -16.9768 -16.9768 -16.9303 -16.9303 -16.9195 -16.9179 -16.8652 -16.8652 -16.8509 -16.8488 -16.5275 -16.5275 -16.5257 -16.5257 -16.5103 -16.5103 -16.5063 -16.5057 -1.3404 -1.3401 -1.3387 -1.3387 3.4962 3.4964 3.5093 3.5093 3.5294 3.5294 4.0957 4.0957 5.3539 5.3548 5.3798 5.3798 7.0231 7.0231 7.1747 7.1747 7.5163 7.5167 7.5196 7.5196 7.7274 7.7274 k = 0.3333 0.5774 0.3142 ( 6696 PWs) bands (ev): -36.0574 -36.0574 -36.0534 -36.0534 -35.6388 -35.6388 -35.6388 -35.6388 -17.3172 -17.3172 -17.3024 -17.3024 -16.9802 -16.9802 -16.9768 -16.9768 -16.9334 -16.9334 -16.9193 -16.9181 -16.8651 -16.8651 -16.8508 -16.8491 -16.5274 -16.5274 -16.5257 -16.5257 -16.5103 -16.5103 -16.5062 -16.5058 -1.3387 -1.3385 -1.3371 -1.3371 3.4795 3.4796 3.5030 3.5030 3.5669 3.5669 4.0299 4.0299 5.3709 5.3716 5.3976 5.3976 7.0540 7.0540 7.1987 7.1987 7.5271 7.5274 7.5296 7.5296 7.7420 7.7420 k = 0.3333 0.5774 0.3316 ( 6687 PWs) bands (ev): -36.0569 -36.0569 -36.0539 -36.0539 -35.6388 -35.6388 -35.6388 -35.6388 -17.3155 -17.3155 -17.3038 -17.3038 -16.9782 -16.9782 -16.9768 -16.9768 -16.9360 -16.9360 -16.9191 -16.9182 -16.8650 -16.8650 -16.8506 -16.8493 -16.5274 -16.5274 -16.5257 -16.5257 -16.5103 -16.5103 -16.5062 -16.5058 -1.3374 -1.3372 -1.3358 -1.3358 3.4663 3.4664 3.4903 3.4903 3.6168 3.6168 3.9657 3.9657 5.3843 5.3848 5.4115 5.4115 7.0847 7.0847 7.2078 7.2078 7.5364 7.5366 7.5383 7.5383 7.7682 7.7682 k = 0.3333 0.5774 0.3491 ( 6681 PWs) bands (ev): -36.0564 -36.0564 -36.0544 -36.0544 -35.6388 -35.6388 -35.6388 -35.6388 -17.3138 -17.3138 -17.3051 -17.3051 -16.9768 -16.9768 -16.9765 -16.9765 -16.9380 -16.9380 -16.9190 -16.9183 -16.8649 -16.8649 -16.8504 -16.8495 -16.5273 -16.5273 -16.5257 -16.5257 -16.5103 -16.5103 -16.5061 -16.5059 -1.3364 -1.3363 -1.3348 -1.3348 3.4568 3.4569 3.4808 3.4808 3.6692 3.6692 3.9033 3.9033 5.3939 5.3943 5.4216 5.4216 7.1145 7.1145 7.2040 7.2040 7.5435 7.5436 7.5449 7.5449 7.8037 7.8037 k = 0.3333 0.5774 0.3665 ( 6672 PWs) bands (ev): -36.0559 -36.0559 -36.0549 -36.0549 -35.6388 -35.6388 -35.6388 -35.6388 -17.3125 -17.3125 -17.3062 -17.3062 -16.9768 -16.9768 -16.9753 -16.9753 -16.9394 -16.9394 -16.9188 -16.9185 -16.8649 -16.8649 -16.8501 -16.8497 -16.5273 -16.5273 -16.5257 -16.5257 -16.5103 -16.5103 -16.5060 -16.5059 -1.3358 -1.3357 -1.3343 -1.3343 3.4511 3.4511 3.4750 3.4750 3.7232 3.7232 3.8433 3.8433 5.3998 5.4000 5.4276 5.4276 7.1423 7.1423 7.1907 7.1907 7.5481 7.5481 7.5491 7.5491 7.8444 7.8444 k = 0.3333 0.5774 0.3840 ( 6666 PWs) bands (ev): -36.0554 -36.0554 -36.0554 -36.0554 -35.6388 -35.6388 -35.6388 -35.6388 -17.3119 -17.3119 -17.3068 -17.3068 -16.9768 -16.9768 -16.9749 -16.9749 -16.9399 -16.9399 -16.9186 -16.9186 -16.8649 -16.8649 -16.8499 -16.8499 -16.5273 -16.5273 -16.5257 -16.5257 -16.5103 -16.5103 -16.5060 -16.5060 -1.3356 -1.3356 -1.3341 -1.3341 3.4492 3.4492 3.4731 3.4731 3.7670 3.7670 3.7975 3.7975 5.4018 5.4018 5.4296 5.4296 7.1616 7.1616 7.1761 7.1761 7.5496 7.5496 7.5505 7.5505 7.8747 7.8751 Writing output data file Ca2Ge.save init_run : 0.91s CPU 0.57s WALL ( 1 calls) electrons : 587.40s CPU 473.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.13s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 587.39s CPU 473.94s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.27s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.59s CPU 0.60s WALL ( 259 calls) cegterg : 544.66s CPU 448.86s WALL ( 1047 calls) Called by sum_band: Called by *egterg: h_psi : 303.27s CPU 207.55s WALL ( 20354 calls) s_psi : 17.18s CPU 13.92s WALL ( 20354 calls) g_psi : 0.74s CPU 0.68s WALL ( 19048 calls) cdiaghg : 190.51s CPU 183.34s WALL ( 19307 calls) cegterg:over : 22.57s CPU 20.37s WALL ( 19048 calls) cegterg:upda : 25.78s CPU 24.32s WALL ( 19048 calls) cegterg:last : 8.14s CPU 7.71s WALL ( 2093 calls) cdiaghg:chol : 10.37s CPU 10.43s WALL ( 19307 calls) cdiaghg:inve : 6.91s CPU 6.94s WALL ( 19307 calls) cdiaghg:para : 11.17s CPU 11.03s WALL ( 38614 calls) Called by h_psi: h_psi:vloc : 261.48s CPU 172.70s WALL ( 20354 calls) h_psi:vnl : 40.88s CPU 34.02s WALL ( 20354 calls) add_vuspsi : 21.64s CPU 17.65s WALL ( 20354 calls) General routines calbec : 19.16s CPU 16.31s WALL ( 20354 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 247.81s CPU 160.89s WALL ( 1433348 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 1.20s WALL ( 518 calls) Parallel routines fft_scatter : 79.28s CPU 65.05s WALL ( 1433371 calls) PWSCF : 10m 7.46s CPU 8m25.31s WALL This run was terminated on: 2:44: 4 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=