Program PWSCF v.5.1.1 starts on 1Aug2015 at 1:44:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BeF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 87 34 9 5033 1258 187 Max 88 35 10 5040 1283 194 Sum 4195 1663 475 241653 60985 9203 bravais-lattice index = 14 lattice parameter (alat) = 9.2597 a.u. unit-cell volume = 754.9211 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 71.0000 Ry charge density cutoff = 711.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.259657 celldm(2)= 1.000000 celldm(3)= 1.097959 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 1.097959 ) 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 0.910781 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Be read from file: /home/autes/Pseudo/Be.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 3d54b317f5f631cde3ecbcbec2334fee Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Be 4.00 9.01220 Be( 1.00) 12 Sym. Ops. (no inversion) found ( 8 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3659864 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3659864 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3659864 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3659864 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) 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 ) ( 0.3659864 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) 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 ) ( -0.3659864 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3659864 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3659864 ) double point group D_6 (622) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' -C2 -3C2' -3C2' G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 -E -1 -2C6 -5 -6 -2C3 -7 -8 Cartesian axes number of k points= 305 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0032787 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0032787 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0032787 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0032787 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0032787 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0032787 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0032787 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0032787 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0032787 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0032787 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0032787 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0032787 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0032787 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0032787 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0032787 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0032787 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0032787 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0032787 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032787 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0032787 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0032787 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0032787 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0032787 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0032787 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0032787 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0032787 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0032787 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0032787 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0032787 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0032787 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0032787 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0032787 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0032787 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0032787 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0032787 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0032787 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0032787 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032787 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032787 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0032787 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0032787 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0032787 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0032787 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0032787 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0032787 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0032787 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0032787 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0032787 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0032787 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032787 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0032787 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0032787 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0032787 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0032787 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0032787 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0032787 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0032787 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0032787 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0032787 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0032787 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032787 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032787 k( 64) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0032787 k( 65) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0032787 k( 66) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0032787 k( 67) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0032787 k( 68) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0032787 k( 69) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0032787 k( 70) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0032787 k( 71) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0032787 k( 72) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0032787 k( 73) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0032787 k( 74) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0032787 k( 75) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0032787 k( 76) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0032787 k( 77) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0032787 k( 78) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0032787 k( 79) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0032787 k( 80) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0032787 k( 81) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0032787 k( 82) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0032787 k( 83) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0032787 k( 84) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0032787 k( 85) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0032787 k( 86) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0032787 k( 87) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0032787 k( 88) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0032787 k( 89) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0032787 k( 90) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0032787 k( 91) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0032787 k( 92) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0032787 k( 93) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0032787 k( 94) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0032787 k( 95) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0032787 k( 96) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0032787 k( 97) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0032787 k( 98) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0032787 k( 99) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0032787 k( 100) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0032787 k( 101) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0032787 k( 102) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0032787 k( 103) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0032787 k( 104) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0032787 k( 105) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0032787 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 108) = ( 0.0000000 0.0000000 0.0151797), wk = 0.0032787 k( 109) = ( 0.0000000 0.0000000 0.0303594), wk = 0.0032787 k( 110) = ( 0.0000000 0.0000000 0.0455390), wk = 0.0032787 k( 111) = ( 0.0000000 0.0000000 0.0607187), wk = 0.0032787 k( 112) = ( 0.0000000 0.0000000 0.0758984), wk = 0.0032787 k( 113) = ( 0.0000000 0.0000000 0.0910781), wk = 0.0032787 k( 114) = ( 0.0000000 0.0000000 0.1062577), wk = 0.0032787 k( 115) = ( 0.0000000 0.0000000 0.1214374), wk = 0.0032787 k( 116) = ( 0.0000000 0.0000000 0.1366171), wk = 0.0032787 k( 117) = ( 0.0000000 0.0000000 0.1517968), wk = 0.0032787 k( 118) = ( 0.0000000 0.0000000 0.1669765), wk = 0.0032787 k( 119) = ( 0.0000000 0.0000000 0.1821561), wk = 0.0032787 k( 120) = ( 0.0000000 0.0000000 0.1973358), wk = 0.0032787 k( 121) = ( 0.0000000 0.0000000 0.2125155), wk = 0.0032787 k( 122) = ( 0.0000000 0.0000000 0.2276952), wk = 0.0032787 k( 123) = ( 0.0000000 0.0000000 0.2428748), wk = 0.0032787 k( 124) = ( 0.0000000 0.0000000 0.2580545), wk = 0.0032787 k( 125) = ( 0.0000000 0.0000000 0.2732342), wk = 0.0032787 k( 126) = ( 0.0000000 0.0000000 0.2884139), wk = 0.0032787 k( 127) = ( 0.0000000 0.0000000 0.3035936), wk = 0.0032787 k( 128) = ( 0.0000000 0.0000000 0.3187732), wk = 0.0032787 k( 129) = ( 0.0000000 0.0000000 0.3339529), wk = 0.0032787 k( 130) = ( 0.0000000 0.0000000 0.3491326), wk = 0.0032787 k( 131) = ( 0.0000000 0.0000000 0.3643123), wk = 0.0032787 k( 132) = ( 0.0000000 0.0000000 0.3794919), wk = 0.0032787 k( 133) = ( 0.0000000 0.0000000 0.3946716), wk = 0.0032787 k( 134) = ( 0.0000000 0.0000000 0.4098513), wk = 0.0032787 k( 135) = ( 0.0000000 0.0000000 0.4250310), wk = 0.0032787 k( 136) = ( 0.0000000 0.0000000 0.4402107), wk = 0.0032787 k( 137) = ( 0.0000000 0.0000000 0.4553903), wk = 0.0032787 k( 138) = ( 0.0000000 0.0000000 0.4553903), wk = 0.0032787 k( 139) = ( 0.0131579 0.0075967 0.4553903), wk = 0.0032787 k( 140) = ( 0.0263158 0.0151934 0.4553903), wk = 0.0032787 k( 141) = ( 0.0394737 0.0227901 0.4553903), wk = 0.0032787 k( 142) = ( 0.0526316 0.0303869 0.4553903), wk = 0.0032787 k( 143) = ( 0.0657895 0.0379836 0.4553903), wk = 0.0032787 k( 144) = ( 0.0789474 0.0455803 0.4553903), wk = 0.0032787 k( 145) = ( 0.0921053 0.0531770 0.4553903), wk = 0.0032787 k( 146) = ( 0.1052632 0.0607737 0.4553903), wk = 0.0032787 k( 147) = ( 0.1184210 0.0683704 0.4553903), wk = 0.0032787 k( 148) = ( 0.1315790 0.0759671 0.4553903), wk = 0.0032787 k( 149) = ( 0.1447368 0.0835639 0.4553903), wk = 0.0032787 k( 150) = ( 0.1578947 0.0911606 0.4553903), wk = 0.0032787 k( 151) = ( 0.1710526 0.0987573 0.4553903), wk = 0.0032787 k( 152) = ( 0.1842105 0.1063540 0.4553903), wk = 0.0032787 k( 153) = ( 0.1973684 0.1139507 0.4553903), wk = 0.0032787 k( 154) = ( 0.2105263 0.1215474 0.4553903), wk = 0.0032787 k( 155) = ( 0.2236842 0.1291441 0.4553903), wk = 0.0032787 k( 156) = ( 0.2368421 0.1367409 0.4553903), wk = 0.0032787 k( 157) = ( 0.2500000 0.1443376 0.4553903), wk = 0.0032787 k( 158) = ( 0.2631579 0.1519343 0.4553903), wk = 0.0032787 k( 159) = ( 0.2763158 0.1595310 0.4553903), wk = 0.0032787 k( 160) = ( 0.2894737 0.1671277 0.4553903), wk = 0.0032787 k( 161) = ( 0.3026316 0.1747244 0.4553903), wk = 0.0032787 k( 162) = ( 0.3157895 0.1823211 0.4553903), wk = 0.0032787 k( 163) = ( 0.3289474 0.1899179 0.4553903), wk = 0.0032787 k( 164) = ( 0.3421053 0.1975146 0.4553903), wk = 0.0032787 k( 165) = ( 0.3552632 0.2051113 0.4553903), wk = 0.0032787 k( 166) = ( 0.3684211 0.2127080 0.4553903), wk = 0.0032787 k( 167) = ( 0.3815789 0.2203047 0.4553903), wk = 0.0032787 k( 168) = ( 0.3947368 0.2279014 0.4553903), wk = 0.0032787 k( 169) = ( 0.4078947 0.2354981 0.4553903), wk = 0.0032787 k( 170) = ( 0.4210526 0.2430948 0.4553903), wk = 0.0032787 k( 171) = ( 0.4342105 0.2506916 0.4553903), wk = 0.0032787 k( 172) = ( 0.4473684 0.2582883 0.4553903), wk = 0.0032787 k( 173) = ( 0.4605263 0.2658850 0.4553903), wk = 0.0032787 k( 174) = ( 0.4736842 0.2734817 0.4553903), wk = 0.0032787 k( 175) = ( 0.4868421 0.2810784 0.4553903), wk = 0.0032787 k( 176) = ( 0.5000000 0.2886751 0.4553903), wk = 0.0032787 k( 177) = ( 0.5000000 0.2886751 0.4553903), wk = 0.0032787 k( 178) = ( 0.4924242 0.3017967 0.4553903), wk = 0.0032787 k( 179) = ( 0.4848485 0.3149183 0.4553903), wk = 0.0032787 k( 180) = ( 0.4772727 0.3280399 0.4553903), wk = 0.0032787 k( 181) = ( 0.4696970 0.3411615 0.4553903), wk = 0.0032787 k( 182) = ( 0.4621212 0.3542831 0.4553903), wk = 0.0032787 k( 183) = ( 0.4545455 0.3674047 0.4553903), wk = 0.0032787 k( 184) = ( 0.4469697 0.3805263 0.4553903), wk = 0.0032787 k( 185) = ( 0.4393939 0.3936479 0.4553903), wk = 0.0032787 k( 186) = ( 0.4318182 0.4067695 0.4553903), wk = 0.0032787 k( 187) = ( 0.4242424 0.4198911 0.4553903), wk = 0.0032787 k( 188) = ( 0.4166667 0.4330127 0.4553903), wk = 0.0032787 k( 189) = ( 0.4090909 0.4461343 0.4553903), wk = 0.0032787 k( 190) = ( 0.4015151 0.4592559 0.4553903), wk = 0.0032787 k( 191) = ( 0.3939394 0.4723775 0.4553903), wk = 0.0032787 k( 192) = ( 0.3863636 0.4854991 0.4553903), wk = 0.0032787 k( 193) = ( 0.3787879 0.4986207 0.4553903), wk = 0.0032787 k( 194) = ( 0.3712121 0.5117423 0.4553903), wk = 0.0032787 k( 195) = ( 0.3636364 0.5248639 0.4553903), wk = 0.0032787 k( 196) = ( 0.3560606 0.5379855 0.4553903), wk = 0.0032787 k( 197) = ( 0.3484849 0.5511071 0.4553903), wk = 0.0032787 k( 198) = ( 0.3409091 0.5642287 0.4553903), wk = 0.0032787 k( 199) = ( 0.3333333 0.5773503 0.4553903), wk = 0.0032787 k( 200) = ( 0.3333333 0.5773503 0.4553903), wk = 0.0032787 k( 201) = ( 0.3255814 0.5639235 0.4553903), wk = 0.0032787 k( 202) = ( 0.3178295 0.5504968 0.4553903), wk = 0.0032787 k( 203) = ( 0.3100775 0.5370700 0.4553903), wk = 0.0032787 k( 204) = ( 0.3023256 0.5236433 0.4553903), wk = 0.0032787 k( 205) = ( 0.2945736 0.5102165 0.4553903), wk = 0.0032787 k( 206) = ( 0.2868217 0.4967898 0.4553903), wk = 0.0032787 k( 207) = ( 0.2790698 0.4833630 0.4553903), wk = 0.0032787 k( 208) = ( 0.2713178 0.4699363 0.4553903), wk = 0.0032787 k( 209) = ( 0.2635659 0.4565095 0.4553903), wk = 0.0032787 k( 210) = ( 0.2558140 0.4430828 0.4553903), wk = 0.0032787 k( 211) = ( 0.2480620 0.4296560 0.4553903), wk = 0.0032787 k( 212) = ( 0.2403101 0.4162293 0.4553903), wk = 0.0032787 k( 213) = ( 0.2325581 0.4028025 0.4553903), wk = 0.0032787 k( 214) = ( 0.2248062 0.3893758 0.4553903), wk = 0.0032787 k( 215) = ( 0.2170543 0.3759490 0.4553903), wk = 0.0032787 k( 216) = ( 0.2093023 0.3625223 0.4553903), wk = 0.0032787 k( 217) = ( 0.2015504 0.3490955 0.4553903), wk = 0.0032787 k( 218) = ( 0.1937985 0.3356688 0.4553903), wk = 0.0032787 k( 219) = ( 0.1860465 0.3222420 0.4553903), wk = 0.0032787 k( 220) = ( 0.1782946 0.3088153 0.4553903), wk = 0.0032787 k( 221) = ( 0.1705426 0.2953885 0.4553903), wk = 0.0032787 k( 222) = ( 0.1627907 0.2819618 0.4553903), wk = 0.0032787 k( 223) = ( 0.1550388 0.2685350 0.4553903), wk = 0.0032787 k( 224) = ( 0.1472868 0.2551083 0.4553903), wk = 0.0032787 k( 225) = ( 0.1395349 0.2416815 0.4553903), wk = 0.0032787 k( 226) = ( 0.1317830 0.2282548 0.4553903), wk = 0.0032787 k( 227) = ( 0.1240310 0.2148280 0.4553903), wk = 0.0032787 k( 228) = ( 0.1162791 0.2014013 0.4553903), wk = 0.0032787 k( 229) = ( 0.1085271 0.1879745 0.4553903), wk = 0.0032787 k( 230) = ( 0.1007752 0.1745477 0.4553903), wk = 0.0032787 k( 231) = ( 0.0930233 0.1611210 0.4553903), wk = 0.0032787 k( 232) = ( 0.0852713 0.1476943 0.4553903), wk = 0.0032787 k( 233) = ( 0.0775194 0.1342675 0.4553903), wk = 0.0032787 k( 234) = ( 0.0697674 0.1208408 0.4553903), wk = 0.0032787 k( 235) = ( 0.0620155 0.1074140 0.4553903), wk = 0.0032787 k( 236) = ( 0.0542636 0.0939873 0.4553903), wk = 0.0032787 k( 237) = ( 0.0465116 0.0805605 0.4553903), wk = 0.0032787 k( 238) = ( 0.0387597 0.0671338 0.4553903), wk = 0.0032787 k( 239) = ( 0.0310078 0.0537070 0.4553903), wk = 0.0032787 k( 240) = ( 0.0232558 0.0402802 0.4553903), wk = 0.0032787 k( 241) = ( 0.0155039 0.0268535 0.4553903), wk = 0.0032787 k( 242) = ( 0.0077519 0.0134268 0.4553903), wk = 0.0032787 k( 243) = ( 0.0000000 0.0000000 0.4553903), wk = 0.0032787 k( 244) = ( 0.5000000 0.2886751 0.4553903), wk = 0.0032787 k( 245) = ( 0.5000000 0.2886751 0.4402107), wk = 0.0032787 k( 246) = ( 0.5000000 0.2886751 0.4250310), wk = 0.0032787 k( 247) = ( 0.5000000 0.2886751 0.4098513), wk = 0.0032787 k( 248) = ( 0.5000000 0.2886751 0.3946716), wk = 0.0032787 k( 249) = ( 0.5000000 0.2886751 0.3794919), wk = 0.0032787 k( 250) = ( 0.5000000 0.2886751 0.3643123), wk = 0.0032787 k( 251) = ( 0.5000000 0.2886751 0.3491326), wk = 0.0032787 k( 252) = ( 0.5000000 0.2886751 0.3339529), wk = 0.0032787 k( 253) = ( 0.5000000 0.2886751 0.3187732), wk = 0.0032787 k( 254) = ( 0.5000000 0.2886751 0.3035936), wk = 0.0032787 k( 255) = ( 0.5000000 0.2886751 0.2884139), wk = 0.0032787 k( 256) = ( 0.5000000 0.2886751 0.2732342), wk = 0.0032787 k( 257) = ( 0.5000000 0.2886751 0.2580545), wk = 0.0032787 k( 258) = ( 0.5000000 0.2886751 0.2428748), wk = 0.0032787 k( 259) = ( 0.5000000 0.2886751 0.2276952), wk = 0.0032787 k( 260) = ( 0.5000000 0.2886751 0.2125155), wk = 0.0032787 k( 261) = ( 0.5000000 0.2886751 0.1973358), wk = 0.0032787 k( 262) = ( 0.5000000 0.2886751 0.1821561), wk = 0.0032787 k( 263) = ( 0.5000000 0.2886751 0.1669765), wk = 0.0032787 k( 264) = ( 0.5000000 0.2886751 0.1517968), wk = 0.0032787 k( 265) = ( 0.5000000 0.2886751 0.1366171), wk = 0.0032787 k( 266) = ( 0.5000000 0.2886751 0.1214374), wk = 0.0032787 k( 267) = ( 0.5000000 0.2886751 0.1062577), wk = 0.0032787 k( 268) = ( 0.5000000 0.2886751 0.0910781), wk = 0.0032787 k( 269) = ( 0.5000000 0.2886751 0.0758984), wk = 0.0032787 k( 270) = ( 0.5000000 0.2886751 0.0607187), wk = 0.0032787 k( 271) = ( 0.5000000 0.2886751 0.0455390), wk = 0.0032787 k( 272) = ( 0.5000000 0.2886751 0.0303594), wk = 0.0032787 k( 273) = ( 0.5000000 0.2886751 0.0151797), wk = 0.0032787 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032787 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032787 k( 276) = ( 0.3333333 0.5773503 0.0151797), wk = 0.0032787 k( 277) = ( 0.3333333 0.5773503 0.0303594), wk = 0.0032787 k( 278) = ( 0.3333333 0.5773503 0.0455390), wk = 0.0032787 k( 279) = ( 0.3333333 0.5773503 0.0607187), wk = 0.0032787 k( 280) = ( 0.3333333 0.5773503 0.0758984), wk = 0.0032787 k( 281) = ( 0.3333333 0.5773503 0.0910781), wk = 0.0032787 k( 282) = ( 0.3333333 0.5773503 0.1062577), wk = 0.0032787 k( 283) = ( 0.3333333 0.5773503 0.1214374), wk = 0.0032787 k( 284) = ( 0.3333333 0.5773503 0.1366171), wk = 0.0032787 k( 285) = ( 0.3333333 0.5773503 0.1517968), wk = 0.0032787 k( 286) = ( 0.3333333 0.5773503 0.1669765), wk = 0.0032787 k( 287) = ( 0.3333333 0.5773503 0.1821561), wk = 0.0032787 k( 288) = ( 0.3333333 0.5773503 0.1973358), wk = 0.0032787 k( 289) = ( 0.3333333 0.5773503 0.2125155), wk = 0.0032787 k( 290) = ( 0.3333333 0.5773503 0.2276952), wk = 0.0032787 k( 291) = ( 0.3333333 0.5773503 0.2428748), wk = 0.0032787 k( 292) = ( 0.3333333 0.5773503 0.2580545), wk = 0.0032787 k( 293) = ( 0.3333333 0.5773503 0.2732342), wk = 0.0032787 k( 294) = ( 0.3333333 0.5773503 0.2884139), wk = 0.0032787 k( 295) = ( 0.3333333 0.5773503 0.3035936), wk = 0.0032787 k( 296) = ( 0.3333333 0.5773503 0.3187732), wk = 0.0032787 k( 297) = ( 0.3333333 0.5773503 0.3339529), wk = 0.0032787 k( 298) = ( 0.3333333 0.5773503 0.3491326), wk = 0.0032787 k( 299) = ( 0.3333333 0.5773503 0.3643123), wk = 0.0032787 k( 300) = ( 0.3333333 0.5773503 0.3794919), wk = 0.0032787 k( 301) = ( 0.3333333 0.5773503 0.3946716), wk = 0.0032787 k( 302) = ( 0.3333333 0.5773503 0.4098513), wk = 0.0032787 k( 303) = ( 0.3333333 0.5773503 0.4250310), wk = 0.0032787 k( 304) = ( 0.3333333 0.5773503 0.4402107), wk = 0.0032787 k( 305) = ( 0.3333333 0.5773503 0.4553903), wk = 0.0032787 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0131579 0.0000000 -0.0000000), wk = 0.0032787 k( 3) = ( 0.0263158 0.0000000 -0.0000000), wk = 0.0032787 k( 4) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0032787 k( 5) = ( 0.0526316 0.0000000 -0.0000000), wk = 0.0032787 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0032787 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0032787 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0032787 k( 9) = ( 0.1052632 0.0000000 -0.0000000), wk = 0.0032787 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0032787 k( 11) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0032787 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0032787 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0032787 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0032787 k( 15) = ( 0.1842105 -0.0000000 0.0000000), wk = 0.0032787 k( 16) = ( 0.1973684 -0.0000000 0.0000000), wk = 0.0032787 k( 17) = ( 0.2105263 0.0000000 -0.0000000), wk = 0.0032787 k( 18) = ( 0.2236842 -0.0000000 0.0000000), wk = 0.0032787 k( 19) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0032787 k( 20) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0032787 k( 21) = ( 0.2631579 0.0000000 -0.0000000), wk = 0.0032787 k( 22) = ( 0.2763158 0.0000000 0.0000000), wk = 0.0032787 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0032787 k( 24) = ( 0.3026316 0.0000000 -0.0000000), wk = 0.0032787 k( 25) = ( 0.3157895 -0.0000000 0.0000000), wk = 0.0032787 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0032787 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0032787 k( 28) = ( 0.3552632 -0.0000000 0.0000000), wk = 0.0032787 k( 29) = ( 0.3684211 -0.0000000 0.0000000), wk = 0.0032787 k( 30) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0032787 k( 31) = ( 0.3947368 -0.0000000 0.0000000), wk = 0.0032787 k( 32) = ( 0.4078947 -0.0000000 0.0000000), wk = 0.0032787 k( 33) = ( 0.4210526 -0.0000000 0.0000000), wk = 0.0032787 k( 34) = ( 0.4342105 0.0000000 -0.0000000), wk = 0.0032787 k( 35) = ( 0.4473684 -0.0000000 0.0000000), wk = 0.0032787 k( 36) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0032787 k( 37) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0032787 k( 38) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0032787 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032787 k( 40) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032787 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0032787 k( 42) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0032787 k( 43) = ( 0.4772727 0.0454546 0.0000000), wk = 0.0032787 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0032787 k( 45) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0032787 k( 46) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0032787 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0032787 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0032787 k( 49) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0032787 k( 50) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0032787 k( 51) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0032787 k( 52) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0032787 k( 53) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0032787 k( 54) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0032787 k( 55) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0032787 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0032787 k( 57) = ( 0.3712121 0.2575758 0.0000000), wk = 0.0032787 k( 58) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0032787 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0032787 k( 60) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0032787 k( 61) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0032787 k( 62) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032787 k( 63) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032787 k( 64) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0032787 k( 65) = ( 0.3178295 0.3178295 0.0000000), wk = 0.0032787 k( 66) = ( 0.3100775 0.3100775 0.0000000), wk = 0.0032787 k( 67) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0032787 k( 68) = ( 0.2945736 0.2945736 -0.0000000), wk = 0.0032787 k( 69) = ( 0.2868217 0.2868217 0.0000000), wk = 0.0032787 k( 70) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0032787 k( 71) = ( 0.2713178 0.2713178 -0.0000000), wk = 0.0032787 k( 72) = ( 0.2635659 0.2635659 -0.0000000), wk = 0.0032787 k( 73) = ( 0.2558140 0.2558139 0.0000000), wk = 0.0032787 k( 74) = ( 0.2480620 0.2480620 0.0000000), wk = 0.0032787 k( 75) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0032787 k( 76) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0032787 k( 77) = ( 0.2248062 0.2248062 0.0000000), wk = 0.0032787 k( 78) = ( 0.2170543 0.2170543 -0.0000000), wk = 0.0032787 k( 79) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0032787 k( 80) = ( 0.2015504 0.2015504 0.0000000), wk = 0.0032787 k( 81) = ( 0.1937985 0.1937984 0.0000000), wk = 0.0032787 k( 82) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0032787 k( 83) = ( 0.1782946 0.1782946 0.0000000), wk = 0.0032787 k( 84) = ( 0.1705426 0.1705426 -0.0000000), wk = 0.0032787 k( 85) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0032787 k( 86) = ( 0.1550388 0.1550388 0.0000000), wk = 0.0032787 k( 87) = ( 0.1472868 0.1472868 -0.0000000), wk = 0.0032787 k( 88) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0032787 k( 89) = ( 0.1317830 0.1317830 0.0000000), wk = 0.0032787 k( 90) = ( 0.1240310 0.1240310 0.0000000), wk = 0.0032787 k( 91) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0032787 k( 92) = ( 0.1085271 0.1085271 -0.0000000), wk = 0.0032787 k( 93) = ( 0.1007752 0.1007752 0.0000000), wk = 0.0032787 k( 94) = ( 0.0930233 0.0930233 0.0000000), wk = 0.0032787 k( 95) = ( 0.0852713 0.0852713 -0.0000000), wk = 0.0032787 k( 96) = ( 0.0775194 0.0775194 0.0000000), wk = 0.0032787 k( 97) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0032787 k( 98) = ( 0.0620155 0.0620155 -0.0000000), wk = 0.0032787 k( 99) = ( 0.0542636 0.0542636 0.0000000), wk = 0.0032787 k( 100) = ( 0.0465116 0.0465116 0.0000000), wk = 0.0032787 k( 101) = ( 0.0387597 0.0387597 0.0000000), wk = 0.0032787 k( 102) = ( 0.0310078 0.0310077 -0.0000000), wk = 0.0032787 k( 103) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0032787 k( 104) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0032787 k( 105) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0032787 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 108) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0032787 k( 109) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0032787 k( 110) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0032787 k( 111) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0032787 k( 112) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0032787 k( 113) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032787 k( 114) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0032787 k( 115) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0032787 k( 116) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0032787 k( 117) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0032787 k( 118) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0032787 k( 119) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032787 k( 120) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0032787 k( 121) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0032787 k( 122) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032787 k( 123) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0032787 k( 124) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0032787 k( 125) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032787 k( 126) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0032787 k( 127) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0032787 k( 128) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0032787 k( 129) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0032787 k( 130) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0032787 k( 131) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032787 k( 132) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0032787 k( 133) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0032787 k( 134) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0032787 k( 135) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0032787 k( 136) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0032787 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 139) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0032787 k( 140) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0032787 k( 141) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0032787 k( 142) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0032787 k( 143) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0032787 k( 144) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0032787 k( 145) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0032787 k( 146) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0032787 k( 147) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0032787 k( 148) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0032787 k( 149) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0032787 k( 150) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0032787 k( 151) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0032787 k( 152) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0032787 k( 153) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0032787 k( 154) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0032787 k( 155) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0032787 k( 156) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0032787 k( 157) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0032787 k( 158) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0032787 k( 159) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0032787 k( 160) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0032787 k( 161) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0032787 k( 162) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0032787 k( 163) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0032787 k( 164) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0032787 k( 165) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0032787 k( 166) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0032787 k( 167) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0032787 k( 168) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0032787 k( 169) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0032787 k( 170) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0032787 k( 171) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0032787 k( 172) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0032787 k( 173) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0032787 k( 174) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0032787 k( 175) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0032787 k( 176) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032787 k( 177) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032787 k( 178) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0032787 k( 179) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0032787 k( 180) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0032787 k( 181) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0032787 k( 182) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0032787 k( 183) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0032787 k( 184) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0032787 k( 185) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0032787 k( 186) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0032787 k( 187) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0032787 k( 188) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032787 k( 189) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0032787 k( 190) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0032787 k( 191) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0032787 k( 192) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0032787 k( 193) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0032787 k( 194) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0032787 k( 195) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0032787 k( 196) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0032787 k( 197) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0032787 k( 198) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0032787 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032787 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032787 k( 201) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0032787 k( 202) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0032787 k( 203) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0032787 k( 204) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0032787 k( 205) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0032787 k( 206) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0032787 k( 207) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0032787 k( 208) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0032787 k( 209) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0032787 k( 210) = ( 0.2558140 0.2558139 0.5000000), wk = 0.0032787 k( 211) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0032787 k( 212) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0032787 k( 213) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0032787 k( 214) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0032787 k( 215) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0032787 k( 216) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0032787 k( 217) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0032787 k( 218) = ( 0.1937985 0.1937984 0.5000000), wk = 0.0032787 k( 219) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0032787 k( 220) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0032787 k( 221) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0032787 k( 222) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0032787 k( 223) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0032787 k( 224) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0032787 k( 225) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0032787 k( 226) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0032787 k( 227) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0032787 k( 228) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0032787 k( 229) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0032787 k( 230) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0032787 k( 231) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0032787 k( 232) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0032787 k( 233) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0032787 k( 234) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0032787 k( 235) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0032787 k( 236) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0032787 k( 237) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0032787 k( 238) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0032787 k( 239) = ( 0.0310078 0.0310077 0.5000000), wk = 0.0032787 k( 240) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0032787 k( 241) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0032787 k( 242) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0032787 k( 243) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 244) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032787 k( 245) = ( 0.5000000 -0.0000000 0.4833333), wk = 0.0032787 k( 246) = ( 0.5000000 -0.0000000 0.4666667), wk = 0.0032787 k( 247) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0032787 k( 248) = ( 0.5000000 -0.0000000 0.4333333), wk = 0.0032787 k( 249) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0032787 k( 250) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0032787 k( 251) = ( 0.5000000 -0.0000000 0.3833333), wk = 0.0032787 k( 252) = ( 0.5000000 -0.0000000 0.3666667), wk = 0.0032787 k( 253) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0032787 k( 254) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0032787 k( 255) = ( 0.5000000 -0.0000000 0.3166667), wk = 0.0032787 k( 256) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0032787 k( 257) = ( 0.5000000 -0.0000000 0.2833333), wk = 0.0032787 k( 258) = ( 0.5000000 -0.0000000 0.2666667), wk = 0.0032787 k( 259) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0032787 k( 260) = ( 0.5000000 -0.0000000 0.2333333), wk = 0.0032787 k( 261) = ( 0.5000000 -0.0000000 0.2166667), wk = 0.0032787 k( 262) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0032787 k( 263) = ( 0.5000000 -0.0000000 0.1833333), wk = 0.0032787 k( 264) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0032787 k( 265) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0032787 k( 266) = ( 0.5000000 -0.0000000 0.1333333), wk = 0.0032787 k( 267) = ( 0.5000000 -0.0000000 0.1166667), wk = 0.0032787 k( 268) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0032787 k( 269) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0032787 k( 270) = ( 0.5000000 -0.0000000 0.0666667), wk = 0.0032787 k( 271) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0032787 k( 272) = ( 0.5000000 -0.0000000 0.0333333), wk = 0.0032787 k( 273) = ( 0.5000000 -0.0000000 0.0166667), wk = 0.0032787 k( 274) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032787 k( 275) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032787 k( 276) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0032787 k( 277) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0032787 k( 278) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0032787 k( 279) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0032787 k( 280) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0032787 k( 281) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0032787 k( 282) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0032787 k( 283) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0032787 k( 284) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0032787 k( 285) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0032787 k( 286) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0032787 k( 287) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0032787 k( 288) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0032787 k( 289) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0032787 k( 290) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0032787 k( 291) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0032787 k( 292) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0032787 k( 293) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0032787 k( 294) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0032787 k( 295) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032787 k( 296) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0032787 k( 297) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0032787 k( 298) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0032787 k( 299) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0032787 k( 300) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0032787 k( 301) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0032787 k( 302) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0032787 k( 303) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0032787 k( 304) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0032787 k( 305) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032787 Dense grid: 241653 G-vectors FFT dimensions: ( 80, 80, 90) Smooth grid: 60985 G-vectors FFT dimensions: ( 50, 50, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 324, 64) NL pseudopotentials 0.31 Mb ( 162, 126) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.04 Mb ( 5035) G-vector shells 0.02 Mb ( 2188) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.27 Mb ( 324, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.25 Mb ( 126, 2, 64) The potential is recalculated from file : ./BeF2.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.6 secs Computing kpt #: 2 total cpu time spent up to now is 44.3 secs Computing kpt #: 3 total cpu time spent up to now is 48.0 secs Computing kpt #: 4 total cpu time spent up to now is 51.7 secs Computing kpt #: 5 total cpu time spent up to now is 55.5 secs Computing kpt #: 6 total cpu time spent up to now is 59.1 secs Computing kpt #: 7 total cpu time spent up to now is 62.9 secs Computing kpt #: 8 total cpu time spent up to now is 66.8 secs Computing kpt #: 9 total cpu time spent up to now is 70.7 secs Computing kpt #: 10 total cpu time spent up to now is 74.7 secs Computing kpt #: 11 total cpu time spent up to now is 78.5 secs Computing kpt #: 12 total cpu time spent up to now is 82.8 secs Computing kpt #: 13 total cpu time spent up to now is 86.9 secs Computing kpt #: 14 total cpu time spent up to now is 91.1 secs Computing kpt #: 15 total cpu time spent up to now is 95.6 secs Computing kpt #: 16 total cpu time spent up to now is 99.9 secs Computing kpt #: 17 total cpu time spent up to now is 104.2 secs Computing kpt #: 18 total cpu time spent up to now is 108.4 secs Computing kpt #: 19 total cpu time spent up to now is 113.1 secs Computing kpt #: 20 total cpu time spent up to now is 117.9 secs Computing kpt #: 21 total cpu time spent up to now is 122.3 secs Computing kpt #: 22 total cpu time spent up to now is 126.8 secs Computing kpt #: 23 total cpu time spent up to now is 131.8 secs Computing kpt #: 24 total cpu time spent up to now is 136.6 secs Computing kpt #: 25 total cpu time spent up to now is 141.9 secs Computing kpt #: 26 total cpu time spent up to now is 147.0 secs Computing kpt #: 27 total cpu time spent up to now is 151.9 secs Computing kpt #: 28 total cpu time spent up to now is 156.9 secs Computing kpt #: 29 total cpu time spent up to now is 161.9 secs Computing kpt #: 30 total cpu time spent up to now is 166.4 secs Computing kpt #: 31 total cpu time spent up to now is 170.7 secs Computing kpt #: 32 total cpu time spent up to now is 175.1 secs Computing kpt #: 33 total cpu time spent up to now is 179.3 secs Computing kpt #: 34 total cpu time spent up to now is 183.1 secs Computing kpt #: 35 total cpu time spent up to now is 186.9 secs Computing kpt #: 36 total cpu time spent up to now is 191.1 secs Computing kpt #: 37 total cpu time spent up to now is 195.3 secs Computing kpt #: 38 total cpu time spent up to now is 199.2 secs Computing kpt #: 39 total cpu time spent up to now is 203.0 secs Computing kpt #: 40 total cpu time spent up to now is 206.6 secs Computing kpt #: 41 total cpu time spent up to now is 210.5 secs Computing kpt #: 42 total cpu time spent up to now is 214.2 secs Computing kpt #: 43 total cpu time spent up to now is 218.0 secs Computing kpt #: 44 total cpu time spent up to now is 221.9 secs Computing kpt #: 45 total cpu time spent up to now is 226.0 secs Computing kpt #: 46 total cpu time spent up to now is 230.9 secs Computing kpt #: 47 total cpu time spent up to now is 235.8 secs Computing kpt #: 48 total cpu time spent up to now is 240.8 secs Computing kpt #: 49 total cpu time spent up to now is 246.8 secs Computing kpt #: 50 total cpu time spent up to now is 252.6 secs Computing kpt #: 51 total cpu time spent up to now is 260.4 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.7 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.6 secs Computing kpt #: 54 total cpu time spent up to now is 282.1 secs Computing kpt #: 55 total cpu time spent up to now is 287.1 secs Computing kpt #: 56 total cpu time spent up to now is 292.5 secs Computing kpt #: 57 total cpu time spent up to now is 297.5 secs Computing kpt #: 58 total cpu time spent up to now is 302.5 secs Computing kpt #: 59 total cpu time spent up to now is 308.0 secs Computing kpt #: 60 total cpu time spent up to now is 314.3 secs Computing kpt #: 61 total cpu time spent up to now is 321.0 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.9 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.9 secs Computing kpt #: 64 total cpu time spent up to now is 344.4 secs Computing kpt #: 65 total cpu time spent up to now is 349.6 secs Computing kpt #: 66 total cpu time spent up to now is 354.4 secs Computing kpt #: 67 total cpu time spent up to now is 359.0 secs Computing kpt #: 68 total cpu time spent up to now is 363.2 secs Computing kpt #: 69 total cpu time spent up to now is 367.4 secs Computing kpt #: 70 total cpu time spent up to now is 371.5 secs Computing kpt #: 71 total cpu time spent up to now is 375.7 secs Computing kpt #: 72 total cpu time spent up to now is 379.6 secs Computing kpt #: 73 total cpu time spent up to now is 383.7 secs Computing kpt #: 74 total cpu time spent up to now is 387.7 secs Computing kpt #: 75 total cpu time spent up to now is 391.6 secs Computing kpt #: 76 total cpu time spent up to now is 395.8 secs Computing kpt #: 77 total cpu time spent up to now is 400.0 secs Computing kpt #: 78 total cpu time spent up to now is 403.8 secs Computing kpt #: 79 total cpu time spent up to now is 407.5 secs Computing kpt #: 80 total cpu time spent up to now is 411.1 secs Computing kpt #: 81 total cpu time spent up to now is 414.9 secs Computing kpt #: 82 total cpu time spent up to now is 418.5 secs Computing kpt #: 83 total cpu time spent up to now is 422.4 secs Computing kpt #: 84 total cpu time spent up to now is 426.3 secs Computing kpt #: 85 total cpu time spent up to now is 430.2 secs Computing kpt #: 86 total cpu time spent up to now is 433.9 secs Computing kpt #: 87 total cpu time spent up to now is 438.1 secs Computing kpt #: 88 total cpu time spent up to now is 442.4 secs Computing kpt #: 89 total cpu time spent up to now is 446.3 secs Computing kpt #: 90 total cpu time spent up to now is 450.0 secs Computing kpt #: 91 total cpu time spent up to now is 453.9 secs Computing kpt #: 92 total cpu time spent up to now is 458.0 secs Computing kpt #: 93 total cpu time spent up to now is 461.8 secs Computing kpt #: 94 total cpu time spent up to now is 465.5 secs Computing kpt #: 95 total cpu time spent up to now is 469.5 secs Computing kpt #: 96 total cpu time spent up to now is 473.5 secs Computing kpt #: 97 total cpu time spent up to now is 477.4 secs Computing kpt #: 98 total cpu time spent up to now is 481.3 secs Computing kpt #: 99 total cpu time spent up to now is 485.2 secs Computing kpt #: 100 total cpu time spent up to now is 489.3 secs Computing kpt #: 101 total cpu time spent up to now is 493.0 secs Computing kpt #: 102 total cpu time spent up to now is 496.9 secs Computing kpt #: 103 total cpu time spent up to now is 500.4 secs Computing kpt #: 104 total cpu time spent up to now is 504.0 secs Computing kpt #: 105 total cpu time spent up to now is 507.6 secs Computing kpt #: 106 total cpu time spent up to now is 511.0 secs Computing kpt #: 107 total cpu time spent up to now is 514.4 secs Computing kpt #: 108 total cpu time spent up to now is 517.9 secs Computing kpt #: 109 total cpu time spent up to now is 521.4 secs Computing kpt #: 110 total cpu time spent up to now is 524.9 secs Computing kpt #: 111 total cpu time spent up to now is 528.6 secs Computing kpt #: 112 total cpu time spent up to now is 532.2 secs Computing kpt #: 113 total cpu time spent up to now is 535.7 secs Computing kpt #: 114 total cpu time spent up to now is 539.4 secs Computing kpt #: 115 total cpu time spent up to now is 542.9 secs Computing kpt #: 116 total cpu time spent up to now is 546.6 secs Computing kpt #: 117 total cpu time spent up to now is 550.5 secs Computing kpt #: 118 total cpu time spent up to now is 554.3 secs Computing kpt #: 119 total cpu time spent up to now is 558.0 secs Computing kpt #: 120 total cpu time spent up to now is 562.0 secs Computing kpt #: 121 total cpu time spent up to now is 565.9 secs Computing kpt #: 122 total cpu time spent up to now is 569.8 secs Computing kpt #: 123 total cpu time spent up to now is 573.8 secs Computing kpt #: 124 total cpu time spent up to now is 577.7 secs Computing kpt #: 125 total cpu time spent up to now is 581.7 secs Computing kpt #: 126 total cpu time spent up to now is 585.7 secs Computing kpt #: 127 total cpu time spent up to now is 590.0 secs Computing kpt #: 128 total cpu time spent up to now is 594.4 secs Computing kpt #: 129 total cpu time spent up to now is 598.8 secs Computing kpt #: 130 total cpu time spent up to now is 603.3 secs Computing kpt #: 131 total cpu time spent up to now is 607.8 secs Computing kpt #: 132 total cpu time spent up to now is 612.6 secs Computing kpt #: 133 total cpu time spent up to now is 617.6 secs Computing kpt #: 134 total cpu time spent up to now is 622.4 secs Computing kpt #: 135 total cpu time spent up to now is 628.8 secs Computing kpt #: 136 total cpu time spent up to now is 634.4 secs Computing kpt #: 137 total cpu time spent up to now is 642.1 secs Computing kpt #: 138 total cpu time spent up to now is 649.7 secs Computing kpt #: 139 total cpu time spent up to now is 654.9 secs Computing kpt #: 140 total cpu time spent up to now is 660.8 secs Computing kpt #: 141 total cpu time spent up to now is 666.7 secs Computing kpt #: 142 total cpu time spent up to now is 672.3 secs Computing kpt #: 143 total cpu time spent up to now is 677.8 secs Computing kpt #: 144 total cpu time spent up to now is 682.8 secs Computing kpt #: 145 total cpu time spent up to now is 687.7 secs Computing kpt #: 146 total cpu time spent up to now is 692.5 secs Computing kpt #: 147 total cpu time spent up to now is 697.1 secs Computing kpt #: 148 total cpu time spent up to now is 701.7 secs Computing kpt #: 149 total cpu time spent up to now is 706.1 secs Computing kpt #: 150 total cpu time spent up to now is 710.4 secs Computing kpt #: 151 total cpu time spent up to now is 714.5 secs Computing kpt #: 152 total cpu time spent up to now is 718.9 secs Computing kpt #: 153 total cpu time spent up to now is 722.7 secs Computing kpt #: 154 total cpu time spent up to now is 726.5 secs Computing kpt #: 155 total cpu time spent up to now is 730.9 secs Computing kpt #: 156 total cpu time spent up to now is 735.4 secs Computing kpt #: 157 total cpu time spent up to now is 740.0 secs Computing kpt #: 158 total cpu time spent up to now is 744.6 secs Computing kpt #: 159 total cpu time spent up to now is 749.2 secs Computing kpt #: 160 total cpu time spent up to now is 753.9 secs Computing kpt #: 161 total cpu time spent up to now is 758.6 secs Computing kpt #: 162 total cpu time spent up to now is 763.9 secs Computing kpt #: 163 total cpu time spent up to now is 768.5 secs Computing kpt #: 164 total cpu time spent up to now is 773.3 secs Computing kpt #: 165 total cpu time spent up to now is 778.2 secs Computing kpt #: 166 total cpu time spent up to now is 782.7 secs Computing kpt #: 167 total cpu time spent up to now is 787.0 secs Computing kpt #: 168 total cpu time spent up to now is 791.8 secs Computing kpt #: 169 total cpu time spent up to now is 796.3 secs Computing kpt #: 170 total cpu time spent up to now is 801.2 secs Computing kpt #: 171 total cpu time spent up to now is 806.4 secs Computing kpt #: 172 total cpu time spent up to now is 811.7 secs Computing kpt #: 173 total cpu time spent up to now is 817.1 secs Computing kpt #: 174 total cpu time spent up to now is 822.6 secs Computing kpt #: 175 total cpu time spent up to now is 828.1 secs Computing kpt #: 176 total cpu time spent up to now is 833.6 secs Computing kpt #: 177 total cpu time spent up to now is 839.8 secs Computing kpt #: 178 total cpu time spent up to now is 845.5 secs Computing kpt #: 179 total cpu time spent up to now is 852.9 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 860.8 secs Computing kpt #: 181 total cpu time spent up to now is 868.3 secs Computing kpt #: 182 total cpu time spent up to now is 873.9 secs Computing kpt #: 183 total cpu time spent up to now is 879.6 secs Computing kpt #: 184 total cpu time spent up to now is 885.3 secs Computing kpt #: 185 total cpu time spent up to now is 890.7 secs Computing kpt #: 186 total cpu time spent up to now is 895.7 secs Computing kpt #: 187 total cpu time spent up to now is 901.3 secs Computing kpt #: 188 total cpu time spent up to now is 906.8 secs Computing kpt #: 189 total cpu time spent up to now is 912.3 secs Computing kpt #: 190 total cpu time spent up to now is 917.6 secs Computing kpt #: 191 total cpu time spent up to now is 922.4 secs Computing kpt #: 192 total cpu time spent up to now is 927.3 secs Computing kpt #: 193 total cpu time spent up to now is 931.9 secs Computing kpt #: 194 total cpu time spent up to now is 936.6 secs Computing kpt #: 195 total cpu time spent up to now is 940.8 secs Computing kpt #: 196 total cpu time spent up to now is 945.3 secs Computing kpt #: 197 total cpu time spent up to now is 949.4 secs Computing kpt #: 198 total cpu time spent up to now is 953.6 secs Computing kpt #: 199 total cpu time spent up to now is 957.3 secs Computing kpt #: 200 total cpu time spent up to now is 961.4 secs Computing kpt #: 201 total cpu time spent up to now is 965.5 secs Computing kpt #: 202 total cpu time spent up to now is 969.8 secs Computing kpt #: 203 total cpu time spent up to now is 973.9 secs Computing kpt #: 204 total cpu time spent up to now is 978.0 secs Computing kpt #: 205 total cpu time spent up to now is 982.2 secs Computing kpt #: 206 total cpu time spent up to now is 986.2 secs Computing kpt #: 207 total cpu time spent up to now is 990.0 secs Computing kpt #: 208 total cpu time spent up to now is 993.8 secs Computing kpt #: 209 total cpu time spent up to now is 997.8 secs Computing kpt #: 210 total cpu time spent up to now is 1001.6 secs Computing kpt #: 211 total cpu time spent up to now is 1006.0 secs Computing kpt #: 212 total cpu time spent up to now is 1009.9 secs Computing kpt #: 213 total cpu time spent up to now is 1013.9 secs Computing kpt #: 214 total cpu time spent up to now is 1018.5 secs Computing kpt #: 215 total cpu time spent up to now is 1022.4 secs Computing kpt #: 216 total cpu time spent up to now is 1026.3 secs Computing kpt #: 217 total cpu time spent up to now is 1030.4 secs Computing kpt #: 218 total cpu time spent up to now is 1034.4 secs Computing kpt #: 219 total cpu time spent up to now is 1038.3 secs Computing kpt #: 220 total cpu time spent up to now is 1042.3 secs Computing kpt #: 221 total cpu time spent up to now is 1046.4 secs Computing kpt #: 222 total cpu time spent up to now is 1050.2 secs Computing kpt #: 223 total cpu time spent up to now is 1054.1 secs Computing kpt #: 224 total cpu time spent up to now is 1058.4 secs Computing kpt #: 225 total cpu time spent up to now is 1062.6 secs Computing kpt #: 226 total cpu time spent up to now is 1067.0 secs Computing kpt #: 227 total cpu time spent up to now is 1070.9 secs Computing kpt #: 228 total cpu time spent up to now is 1075.2 secs Computing kpt #: 229 total cpu time spent up to now is 1079.2 secs Computing kpt #: 230 total cpu time spent up to now is 1083.5 secs Computing kpt #: 231 total cpu time spent up to now is 1087.7 secs Computing kpt #: 232 total cpu time spent up to now is 1091.9 secs Computing kpt #: 233 total cpu time spent up to now is 1096.5 secs Computing kpt #: 234 total cpu time spent up to now is 1101.0 secs Computing kpt #: 235 total cpu time spent up to now is 1105.6 secs Computing kpt #: 236 total cpu time spent up to now is 1110.4 secs Computing kpt #: 237 total cpu time spent up to now is 1115.8 secs Computing kpt #: 238 total cpu time spent up to now is 1121.5 secs Computing kpt #: 239 total cpu time spent up to now is 1127.3 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.3 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1143.6 secs Computing kpt #: 242 total cpu time spent up to now is 1150.0 secs Computing kpt #: 243 total cpu time spent up to now is 1155.3 secs Computing kpt #: 244 total cpu time spent up to now is 1161.0 secs Computing kpt #: 245 total cpu time spent up to now is 1166.7 secs Computing kpt #: 246 total cpu time spent up to now is 1172.4 secs Computing kpt #: 247 total cpu time spent up to now is 1179.9 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1187.5 secs Computing kpt #: 249 total cpu time spent up to now is 1193.3 secs Computing kpt #: 250 total cpu time spent up to now is 1199.2 secs Computing kpt #: 251 total cpu time spent up to now is 1203.1 secs Computing kpt #: 252 total cpu time spent up to now is 1208.6 secs Computing kpt #: 253 total cpu time spent up to now is 1212.7 secs Computing kpt #: 254 total cpu time spent up to now is 1216.6 secs Computing kpt #: 255 total cpu time spent up to now is 1220.8 secs Computing kpt #: 256 total cpu time spent up to now is 1224.6 secs Computing kpt #: 257 total cpu time spent up to now is 1229.3 secs Computing kpt #: 258 total cpu time spent up to now is 1233.3 secs Computing kpt #: 259 total cpu time spent up to now is 1237.0 secs Computing kpt #: 260 total cpu time spent up to now is 1240.9 secs Computing kpt #: 261 total cpu time spent up to now is 1244.9 secs Computing kpt #: 262 total cpu time spent up to now is 1249.2 secs Computing kpt #: 263 total cpu time spent up to now is 1254.0 secs Computing kpt #: 264 total cpu time spent up to now is 1259.0 secs Computing kpt #: 265 total cpu time spent up to now is 1263.8 secs Computing kpt #: 266 total cpu time spent up to now is 1268.6 secs Computing kpt #: 267 total cpu time spent up to now is 1273.5 secs Computing kpt #: 268 total cpu time spent up to now is 1278.2 secs Computing kpt #: 269 total cpu time spent up to now is 1282.7 secs Computing kpt #: 270 total cpu time spent up to now is 1287.1 secs Computing kpt #: 271 total cpu time spent up to now is 1291.3 secs Computing kpt #: 272 total cpu time spent up to now is 1295.4 secs Computing kpt #: 273 total cpu time spent up to now is 1299.0 secs Computing kpt #: 274 total cpu time spent up to now is 1303.0 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1310.8 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1318.6 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1326.5 secs Computing kpt #: 278 total cpu time spent up to now is 1333.7 secs Computing kpt #: 279 total cpu time spent up to now is 1340.8 secs Computing kpt #: 280 total cpu time spent up to now is 1346.6 secs Computing kpt #: 281 total cpu time spent up to now is 1352.2 secs Computing kpt #: 282 total cpu time spent up to now is 1357.7 secs Computing kpt #: 283 total cpu time spent up to now is 1363.1 secs Computing kpt #: 284 total cpu time spent up to now is 1368.1 secs Computing kpt #: 285 total cpu time spent up to now is 1373.1 secs Computing kpt #: 286 total cpu time spent up to now is 1378.6 secs Computing kpt #: 287 total cpu time spent up to now is 1383.4 secs Computing kpt #: 288 total cpu time spent up to now is 1388.4 secs Computing kpt #: 289 total cpu time spent up to now is 1393.2 secs Computing kpt #: 290 total cpu time spent up to now is 1397.6 secs Computing kpt #: 291 total cpu time spent up to now is 1402.4 secs Computing kpt #: 292 total cpu time spent up to now is 1406.7 secs Computing kpt #: 293 total cpu time spent up to now is 1411.2 secs Computing kpt #: 294 total cpu time spent up to now is 1415.4 secs Computing kpt #: 295 total cpu time spent up to now is 1420.3 secs Computing kpt #: 296 total cpu time spent up to now is 1424.4 secs Computing kpt #: 297 total cpu time spent up to now is 1428.4 secs Computing kpt #: 298 total cpu time spent up to now is 1432.4 secs Computing kpt #: 299 total cpu time spent up to now is 1436.6 secs Computing kpt #: 300 total cpu time spent up to now is 1440.6 secs Computing kpt #: 301 total cpu time spent up to now is 1444.7 secs Computing kpt #: 302 total cpu time spent up to now is 1448.7 secs Computing kpt #: 303 total cpu time spent up to now is 1452.6 secs Computing kpt #: 304 total cpu time spent up to now is 1456.7 secs Computing kpt #: 305 total cpu time spent up to now is 1460.7 secs ethr = 1.85E-11, avg # of iterations = 46.8 total cpu time spent up to now is 1461.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7695 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1978 -23.1978 -22.5635 -22.5635 -22.5635 -22.5635 -22.3673 -22.3673 -22.3333 -22.3333 -22.3333 -22.3333 -6.8652 -6.8652 -6.8648 -6.8648 -5.7813 -5.7813 -5.7774 -5.7774 -5.6681 -5.6681 -5.6526 -5.6526 -3.9718 -3.9718 -3.9716 -3.9716 -3.9617 -3.9617 -3.9090 -3.9090 -2.9694 -2.9694 -2.9103 -2.9103 -2.8994 -2.8994 -2.7713 -2.7713 -2.7632 -2.7632 -2.4119 -2.4119 -2.3892 -2.3892 -2.2534 -2.2534 5.9470 5.9470 10.1880 10.1880 10.1896 10.1896 10.9801 10.9801 10.9832 10.9832 k = 0.0132 0.0076-0.0000 ( 7697 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1975 -23.1975 -22.5638 -22.5638 -22.5635 -22.5635 -22.3673 -22.3673 -22.3333 -22.3333 -22.3333 -22.3333 -6.8655 -6.8653 -6.8645 -6.8645 -5.7838 -5.7807 -5.7777 -5.7769 -5.6674 -5.6672 -5.6534 -5.6500 -3.9830 -3.9717 -3.9714 -3.9676 -3.9657 -3.9625 -3.9084 -3.8966 -2.9702 -2.9697 -2.9111 -2.9107 -2.9002 -2.9002 -2.7715 -2.7715 -2.7636 -2.7633 -2.4116 -2.4116 -2.3891 -2.3886 -2.2541 -2.2539 5.9492 5.9492 10.1892 10.1893 10.1908 10.1908 10.9791 10.9792 10.9828 10.9830 k = 0.0263 0.0152-0.0000 ( 7689 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1968 -23.1968 -22.5645 -22.5645 -22.5634 -22.5634 -22.3673 -22.3673 -22.3335 -22.3335 -22.3334 -22.3334 -6.8666 -6.8662 -6.8631 -6.8629 -5.7879 -5.7821 -5.7780 -5.7763 -5.6658 -5.6649 -5.6521 -5.6452 -3.9995 -3.9800 -3.9714 -3.9710 -3.9646 -3.9625 -3.8953 -3.8786 -2.9721 -2.9712 -2.9132 -2.9124 -2.9023 -2.9021 -2.7724 -2.7723 -2.7642 -2.7639 -2.4106 -2.4104 -2.3881 -2.3873 -2.2562 -2.2558 5.9555 5.9556 10.1928 10.1929 10.1948 10.1948 10.9744 10.9745 10.9837 10.9839 k = 0.0395 0.0228-0.0000 ( 7689 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1956 -23.1956 -22.5656 -22.5656 -22.5633 -22.5633 -22.3672 -22.3672 -22.3337 -22.3337 -22.3336 -22.3336 -6.8683 -6.8677 -6.8608 -6.8604 -5.7931 -5.7852 -5.7781 -5.7756 -5.6644 -5.6628 -5.6474 -5.6375 -4.0178 -3.9973 -3.9711 -3.9704 -3.9622 -3.9615 -3.8771 -3.8586 -2.9754 -2.9739 -2.9168 -2.9159 -2.9055 -2.9047 -2.7738 -2.7734 -2.7652 -2.7649 -2.4090 -2.4086 -2.3863 -2.3854 -2.2596 -2.2591 5.9662 5.9662 10.1985 10.1986 10.2016 10.2018 10.9658 10.9660 10.9860 10.9862 k = 0.0526 0.0304-0.0000 ( 7693 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1940 -23.1940 -22.5673 -22.5673 -22.5631 -22.5631 -22.3672 -22.3672 -22.3340 -22.3340 -22.3338 -22.3338 -6.8706 -6.8699 -6.8574 -6.8570 -5.7991 -5.7895 -5.7782 -5.7749 -5.6635 -5.6620 -5.6387 -5.6272 -4.0366 -4.0157 -3.9705 -3.9696 -3.9596 -3.9593 -3.8572 -3.8378 -2.9801 -2.9780 -2.9222 -2.9216 -2.9092 -2.9074 -2.7757 -2.7750 -2.7665 -2.7664 -2.4071 -2.4061 -2.3836 -2.3829 -2.2642 -2.2636 5.9811 5.9811 10.2062 10.2063 10.2113 10.2115 10.9537 10.9539 10.9893 10.9895 k = 0.0658 0.0380-0.0000 ( 7675 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1919 -23.1919 -22.5694 -22.5694 -22.5629 -22.5629 -22.3671 -22.3671 -22.3344 -22.3344 -22.3341 -22.3341 -6.8736 -6.8727 -6.8531 -6.8526 -5.8054 -5.7946 -5.7782 -5.7741 -5.6629 -5.6620 -5.6271 -5.6147 -4.0552 -4.0343 -3.9699 -3.9687 -3.9569 -3.9559 -3.8364 -3.8167 -2.9864 -2.9836 -2.9293 -2.9292 -2.9134 -2.9101 -2.7781 -2.7769 -2.7683 -2.7679 -2.4050 -2.4032 -2.3800 -2.3798 -2.2700 -2.2693 6.0001 6.0001 10.2158 10.2159 10.2237 10.2240 10.9380 10.9383 10.9936 10.9939 k = 0.0789 0.0456-0.0000 ( 7669 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1893 -23.1893 -22.5719 -22.5719 -22.5626 -22.5626 -22.3670 -22.3670 -22.3349 -22.3349 -22.3344 -22.3344 -6.8771 -6.8761 -6.8479 -6.8472 -5.8118 -5.8002 -5.7781 -5.7732 -5.6626 -5.6622 -5.6133 -5.6004 -4.0736 -4.0526 -3.9691 -3.9676 -3.9535 -3.9518 -3.8155 -3.7955 -2.9945 -2.9913 -2.9385 -2.9374 -2.9181 -2.9129 -2.7806 -2.7791 -2.7705 -2.7696 -2.4028 -2.3999 -2.3762 -2.3756 -2.2768 -2.2761 6.0233 6.0233 10.2273 10.2274 10.2387 10.2392 10.9189 10.9193 10.9989 10.9993 k = 0.0921 0.0532-0.0000 ( 7675 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1862 -23.1862 -22.5750 -22.5750 -22.5623 -22.5623 -22.3670 -22.3670 -22.3354 -22.3354 -22.3348 -22.3348 -6.8811 -6.8800 -6.8418 -6.8411 -5.8182 -5.8059 -5.7780 -5.7723 -5.6626 -5.6624 -5.5978 -5.5846 -4.0915 -4.0705 -3.9682 -3.9665 -3.9493 -3.9471 -3.7944 -3.7743 -3.0048 -3.0012 -2.9488 -2.9464 -2.9232 -2.9159 -2.7833 -2.7814 -2.7729 -2.7715 -2.4006 -2.3966 -2.3722 -2.3706 -2.2844 -2.2840 6.0505 6.0506 10.2404 10.2405 10.2564 10.2569 10.8965 10.8968 11.0053 11.0058 k = 0.1053 0.0608-0.0000 ( 7669 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1827 -23.1827 -22.5785 -22.5784 -22.5619 -22.5619 -22.3669 -22.3669 -22.3361 -22.3361 -22.3353 -22.3353 -6.8856 -6.8844 -6.8349 -6.8340 -5.8244 -5.8115 -5.7778 -5.7714 -5.6630 -5.6624 -5.5809 -5.5676 -4.1088 -4.0878 -3.9672 -3.9652 -3.9445 -3.9416 -3.7735 -3.7534 -3.0174 -3.0137 -2.9598 -2.9556 -2.9289 -2.9192 -2.7860 -2.7840 -2.7755 -2.7735 -2.3984 -2.3934 -2.3682 -2.3653 -2.2925 -2.2925 6.0818 6.0818 10.2548 10.2549 10.2764 10.2771 10.8709 10.8712 11.0128 11.0133 k = 0.1184 0.0684-0.0000 ( 7669 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1788 -23.1788 -22.5824 -22.5824 -22.5615 -22.5615 -22.3668 -22.3667 -22.3367 -22.3367 -22.3358 -22.3358 -6.8905 -6.8892 -6.8272 -6.8262 -5.8304 -5.8171 -5.7777 -5.7706 -5.6633 -5.6623 -5.5627 -5.5494 -4.1254 -4.1045 -3.9662 -3.9639 -3.9390 -3.9355 -3.7528 -3.7327 -3.0325 -3.0289 -2.9712 -2.9650 -2.9350 -2.9228 -2.7885 -2.7865 -2.7781 -2.7757 -2.3962 -2.3904 -2.3646 -2.3604 -2.3012 -2.3004 6.1170 6.1170 10.2699 10.2700 10.2988 10.2996 10.8425 10.8428 11.0214 11.0220 k = 0.1316 0.0760-0.0000 ( 7673 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1744 -23.1744 -22.5868 -22.5868 -22.5610 -22.5610 -22.3666 -22.3666 -22.3374 -22.3374 -22.3363 -22.3363 -6.8958 -6.8944 -6.8188 -6.8177 -5.8360 -5.8225 -5.7776 -5.7698 -5.6637 -5.6622 -5.5435 -5.5301 -4.1413 -4.1205 -3.9652 -3.9626 -3.9327 -3.9288 -3.7324 -3.7124 -3.0499 -3.0467 -2.9830 -2.9746 -2.9414 -2.9266 -2.7909 -2.7891 -2.7808 -2.7779 -2.3940 -2.3880 -2.3625 -2.3572 -2.3088 -2.3070 6.1560 6.1561 10.2852 10.2853 10.3234 10.3243 10.8119 10.8121 11.0312 11.0320 k = 0.1447 0.0836-0.0000 ( 7665 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1696 -23.1696 -22.5917 -22.5916 -22.5605 -22.5605 -22.3665 -22.3665 -22.3382 -22.3382 -22.3369 -22.3369 -6.9015 -6.8999 -6.8096 -6.8085 -5.8414 -5.8276 -5.7775 -5.7691 -5.6639 -5.6621 -5.5233 -5.5100 -4.1564 -4.1356 -3.9642 -3.9613 -3.9258 -3.9213 -3.7124 -3.6925 -3.0696 -3.0667 -2.9951 -2.9847 -2.9481 -2.9307 -2.7931 -2.7916 -2.7833 -2.7801 -2.3919 -2.3866 -2.3629 -2.3578 -2.3132 -2.3108 6.1988 6.1988 10.2994 10.2995 10.3498 10.3509 10.7801 10.7802 11.0423 11.0432 k = 0.1579 0.0912-0.0000 ( 7653 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1644 -23.1644 -22.5969 -22.5969 -22.5599 -22.5599 -22.3664 -22.3664 -22.3390 -22.3390 -22.3375 -22.3375 -6.9073 -6.9058 -6.7999 -6.7986 -5.8464 -5.8324 -5.7775 -5.7685 -5.6640 -5.6619 -5.5023 -5.4890 -4.1706 -4.1499 -3.9634 -3.9601 -3.9181 -3.9130 -3.6928 -3.6731 -3.0913 -3.0886 -3.0076 -2.9954 -2.9548 -2.9352 -2.7950 -2.7938 -2.7857 -2.7823 -2.3899 -2.3876 -2.3657 -2.3641 -2.3127 -2.3106 6.2453 6.2453 10.3109 10.3109 10.3781 10.3792 10.7486 10.7487 11.0548 11.0558 k = 0.1711 0.0988-0.0000 ( 7649 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1588 -23.1588 -22.6026 -22.6026 -22.5594 -22.5594 -22.3662 -22.3662 -22.3398 -22.3398 -22.3382 -22.3382 -6.9135 -6.9118 -6.7896 -6.7883 -5.8511 -5.8370 -5.7776 -5.7680 -5.6639 -5.6615 -5.4805 -5.4674 -4.1840 -4.1634 -3.9627 -3.9590 -3.9097 -3.9041 -3.6738 -3.6544 -3.1147 -3.1123 -3.0206 -3.0069 -2.9615 -2.9399 -2.7967 -2.7959 -2.7880 -2.7843 -2.3932 -2.3880 -2.3749 -2.3681 -2.3084 -2.3071 6.2953 6.2953 10.3170 10.3171 10.4078 10.4091 10.7200 10.7203 11.0689 11.0700 k = 0.1842 0.1064-0.0000 ( 7647 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1528 -23.1527 -22.6088 -22.6088 -22.5588 -22.5588 -22.3661 -22.3661 -22.3406 -22.3406 -22.3389 -22.3389 -6.9197 -6.9180 -6.7789 -6.7774 -5.8554 -5.8412 -5.7778 -5.7677 -5.6637 -5.6610 -5.4581 -5.4451 -4.1964 -4.1759 -3.9622 -3.9581 -3.9006 -3.8945 -3.6554 -3.6363 -3.1395 -3.1373 -3.0341 -3.0192 -2.9683 -2.9449 -2.7981 -2.7978 -2.7900 -2.7861 -2.4037 -2.3886 -2.3862 -2.3686 -2.3019 -2.3015 6.3487 6.3487 10.3143 10.3146 10.4387 10.4401 10.6978 10.6983 11.0847 11.0860 k = 0.1974 0.1140-0.0000 ( 7643 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1464 -23.1463 -22.6153 -22.6153 -22.5581 -22.5581 -22.3659 -22.3659 -22.3414 -22.3414 -22.3397 -22.3397 -6.9261 -6.9244 -6.7677 -6.7662 -5.8594 -5.8451 -5.7781 -5.7676 -5.6633 -5.6604 -5.4352 -5.4223 -4.2079 -4.1874 -3.9619 -3.9575 -3.8908 -3.8842 -3.6377 -3.6189 -3.1656 -3.1636 -3.0482 -3.0324 -2.9750 -2.9502 -2.7993 -2.7993 -2.7917 -2.7876 -2.4175 -2.4038 -2.3847 -2.3679 -2.2948 -2.2944 6.4055 6.4055 10.2995 10.2999 10.4704 10.4720 10.6854 10.6862 11.1024 11.1038 k = 0.2105 0.1215-0.0000 ( 7643 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1396 -23.1396 -22.6223 -22.6222 -22.5575 -22.5575 -22.3657 -22.3657 -22.3423 -22.3423 -22.3404 -22.3404 -6.9326 -6.9308 -6.7563 -6.7547 -5.8630 -5.8487 -5.7786 -5.7676 -5.6626 -5.6594 -5.4118 -5.3991 -4.2184 -4.1980 -3.9620 -3.9571 -3.8803 -3.8731 -3.6207 -3.6023 -3.1927 -3.1907 -3.0628 -3.0463 -2.9817 -2.9558 -2.8006 -2.8003 -2.7932 -2.7889 -2.4331 -2.4202 -2.3833 -2.3669 -2.2873 -2.2865 6.4655 6.4655 10.2705 10.2709 10.5026 10.5043 10.6849 10.6859 11.1223 11.1239 k = 0.2237 0.1291-0.0000 ( 7633 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1325 -23.1325 -22.6296 -22.6295 -22.5568 -22.5568 -22.3656 -22.3656 -22.3431 -22.3431 -22.3412 -22.3412 -6.9391 -6.9373 -6.7446 -6.7429 -5.8663 -5.8520 -5.7792 -5.7678 -5.6616 -5.6583 -5.3880 -5.3755 -4.2278 -4.2075 -3.9626 -3.9572 -3.8691 -3.8614 -3.6044 -3.5866 -3.2205 -3.2186 -3.0780 -3.0610 -2.9885 -2.9617 -2.8015 -2.8011 -2.7944 -2.7897 -2.4498 -2.4374 -2.3820 -2.3659 -2.2796 -2.2784 6.5285 6.5286 10.2279 10.2284 10.5348 10.5367 10.6959 10.6972 11.1446 11.1463 k = 0.2368 0.1367-0.0000 ( 7631 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1250 -23.1250 -22.6372 -22.6372 -22.5561 -22.5561 -22.3654 -22.3654 -22.3439 -22.3439 -22.3420 -22.3420 -6.9455 -6.9438 -6.7328 -6.7311 -5.8693 -5.8550 -5.7800 -5.7682 -5.6603 -5.6569 -5.3640 -5.3518 -4.2362 -4.2160 -3.9636 -3.9577 -3.8571 -3.8489 -3.5889 -3.5718 -3.2488 -3.2468 -3.0938 -3.0763 -2.9954 -2.9679 -2.8021 -2.8017 -2.7952 -2.7902 -2.4673 -2.4550 -2.3810 -2.3650 -2.2717 -2.2703 6.5946 6.5946 10.1739 10.1743 10.5666 10.5686 10.7163 10.7178 11.1696 11.1714 k = 0.2500 0.1443-0.0000 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0641 -98.0641 -98.0641 -98.0641 -23.1173 -23.1173 -22.6452 -22.6452 -22.5555 -22.5555 -22.3652 -22.3652 -22.3447 -22.3447 -22.3429 -22.3429 -6.9519 -6.9501 -6.7209 -6.7192 -5.8719 -5.8577 -5.7809 -5.7688 -5.6587 -5.6552 -5.3399 -5.3279 -4.2435 -4.2235 -3.9651 -3.9587 -3.8445 -3.8357 -3.5744 -3.5580 -3.2773 -3.2753 -3.1101 -3.0922 -3.0024 -2.9744 -2.8024 -2.8021 -2.7957 -2.7903 -2.4852 -2.4731 -2.3802 -2.3644 -2.2638 -2.2623 6.6634 6.6635 10.1108 10.1112 10.5975 10.5997 10.7438 10.7454 11.1975 11.1995 k = 0.2632 0.1519-0.0000 ( 7650 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.1093 -23.1092 -22.6535 -22.6535 -22.5548 -22.5548 -22.3651 -22.3650 -22.3455 -22.3455 -22.3437 -22.3437 -6.9581 -6.9564 -6.7091 -6.7073 -5.8743 -5.8601 -5.7819 -5.7697 -5.6568 -5.6532 -5.3158 -5.3041 -4.2497 -4.2298 -3.9673 -3.9603 -3.8311 -3.8219 -3.5607 -3.5453 -3.3058 -3.3036 -3.1268 -3.1087 -3.0095 -2.9812 -2.8025 -2.8023 -2.7958 -2.7901 -2.5034 -2.4913 -2.3797 -2.3640 -2.2561 -2.2544 6.7350 6.7351 10.0408 10.0411 10.6272 10.6295 10.7764 10.7782 11.2285 11.2306 k = 0.2763 0.1595-0.0000 ( 7644 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.1010 -23.1010 -22.6621 -22.6620 -22.5541 -22.5541 -22.3649 -22.3649 -22.3463 -22.3463 -22.3445 -22.3445 -6.9642 -6.9626 -6.6974 -6.6956 -5.8763 -5.8623 -5.7831 -5.7707 -5.6546 -5.6509 -5.2918 -5.2804 -4.2548 -4.2350 -3.9702 -3.9627 -3.8171 -3.8073 -3.5481 -3.5339 -3.3339 -3.3313 -3.1440 -3.1257 -3.0167 -2.9884 -2.8024 -2.8024 -2.7955 -2.7894 -2.5215 -2.5095 -2.3793 -2.3638 -2.2485 -2.2468 6.8092 6.8092 9.9653 9.9655 10.6553 10.6577 10.8126 10.8146 11.2628 11.2650 k = 0.2895 0.1671-0.0000 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0925 -23.0924 -22.6709 -22.6708 -22.5534 -22.5534 -22.3647 -22.3647 -22.3470 -22.3470 -22.3453 -22.3453 -6.9702 -6.9685 -6.6859 -6.6840 -5.8779 -5.8641 -5.7844 -5.7719 -5.6520 -5.6483 -5.2681 -5.2570 -4.2587 -4.2390 -3.9739 -3.9658 -3.8024 -3.7921 -3.5367 -3.5239 -3.3612 -3.3580 -3.1617 -3.1432 -3.0240 -2.9959 -2.8023 -2.8022 -2.7947 -2.7883 -2.5395 -2.5276 -2.3791 -2.3639 -2.2411 -2.2394 6.8858 6.8859 9.8854 9.8855 10.6815 10.6839 10.8514 10.8536 11.3004 11.3027 k = 0.3026 0.1747-0.0000 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0837 -23.0837 -22.6799 -22.6799 -22.5527 -22.5527 -22.3645 -22.3645 -22.3477 -22.3477 -22.3461 -22.3461 -6.9759 -6.9743 -6.6746 -6.6728 -5.8793 -5.8657 -5.7859 -5.7733 -5.6492 -5.6454 -5.2447 -5.2340 -4.2614 -4.2419 -3.9786 -3.9698 -3.7870 -3.7762 -3.5268 -3.5159 -3.3873 -3.3830 -3.1798 -3.1611 -3.0314 -3.0036 -2.8021 -2.8018 -2.7934 -2.7869 -2.5572 -2.5454 -2.3790 -2.3643 -2.2340 -2.2324 6.9647 6.9648 9.8018 9.8019 10.7056 10.7080 10.8919 10.8943 11.3413 11.3436 k = 0.3158 0.1823-0.0000 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0749 -23.0749 -22.6891 -22.6890 -22.5520 -22.5520 -22.3644 -22.3644 -22.3484 -22.3483 -22.3469 -22.3469 -6.9813 -6.9798 -6.6638 -6.6620 -5.8804 -5.8671 -5.7874 -5.7748 -5.6460 -5.6423 -5.2218 -5.2115 -4.2629 -4.2436 -3.9841 -3.9747 -3.7711 -3.7597 -3.5191 -3.5108 -3.4111 -3.4052 -3.1982 -3.1795 -3.0389 -3.0116 -2.8018 -2.8014 -2.7918 -2.7852 -2.5745 -2.5628 -2.3792 -2.3649 -2.2273 -2.2257 7.0458 7.0459 9.7153 9.7154 10.7274 10.7298 10.9333 10.9359 11.3852 11.3875 k = 0.3289 0.1899-0.0000 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0659 -23.0659 -22.6984 -22.6983 -22.5513 -22.5513 -22.3642 -22.3642 -22.3490 -22.3490 -22.3477 -22.3477 -6.9865 -6.9851 -6.6534 -6.6517 -5.8812 -5.8682 -5.7889 -5.7765 -5.6426 -5.6389 -5.1996 -5.1898 -4.2633 -4.2441 -3.9907 -3.9807 -3.7545 -3.7425 -3.5148 -3.5101 -3.4312 -3.4227 -3.2170 -3.1982 -3.0465 -3.0199 -2.8013 -2.8008 -2.7898 -2.7833 -2.5911 -2.5797 -2.3794 -2.3656 -2.2209 -2.2193 7.1290 7.1291 9.6263 9.6263 10.7471 10.7494 10.9749 10.9778 11.4317 11.4340 k = 0.3421 0.1975-0.0000 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0568 -23.0568 -22.7077 -22.7077 -22.5507 -22.5507 -22.3641 -22.3640 -22.3496 -22.3496 -22.3484 -22.3484 -6.9914 -6.9900 -6.6435 -6.6418 -5.8818 -5.8691 -5.7905 -5.7784 -5.6390 -5.6354 -5.1782 -5.1688 -4.2624 -4.2434 -3.9984 -3.9877 -3.7373 -3.7248 -3.5162 -3.5154 -3.4450 -3.4336 -3.2362 -3.2173 -3.0540 -3.0284 -2.8006 -2.8001 -2.7875 -2.7812 -2.6070 -2.5959 -2.3798 -2.3666 -2.2149 -2.2134 7.2141 7.2142 9.5351 9.5351 10.7645 10.7668 11.0160 11.0191 11.4804 11.4827 k = 0.3553 0.2051-0.0000 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0478 -23.0478 -22.7171 -22.7171 -22.5501 -22.5501 -22.3639 -22.3639 -22.3501 -22.3501 -22.3491 -22.3491 -6.9960 -6.9947 -6.6342 -6.6326 -5.8821 -5.8699 -5.7921 -5.7803 -5.6352 -5.6317 -5.1577 -5.1489 -4.2603 -4.2415 -4.0073 -3.9960 -3.7196 -3.7066 -3.5265 -3.5248 -3.4509 -3.4379 -3.2556 -3.2367 -3.0614 -3.0369 -2.7998 -2.7992 -2.7850 -2.7789 -2.6221 -2.6114 -2.3802 -2.3677 -2.2093 -2.2079 7.3009 7.3010 9.4422 9.4422 10.7799 10.7821 11.0558 11.0592 11.5307 11.5330 k = 0.3684 0.2127-0.0000 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0388 -23.0388 -22.7264 -22.7264 -22.5496 -22.5496 -22.3638 -22.3637 -22.3506 -22.3506 -22.3497 -22.3497 -7.0002 -6.9990 -6.6256 -6.6241 -5.8822 -5.8706 -5.7937 -5.7824 -5.6313 -5.6280 -5.1383 -5.1301 -4.2569 -4.2383 -4.0173 -4.0053 -3.7013 -3.6878 -3.5411 -3.5385 -3.4508 -3.4378 -3.2754 -3.2565 -3.0686 -3.0455 -2.7989 -2.7982 -2.7825 -2.7766 -2.6362 -2.6260 -2.3806 -2.3690 -2.2041 -2.2028 7.3894 7.3895 9.3478 9.3479 10.7934 10.7954 11.0936 11.0972 11.5694 11.5753 k = 0.3816 0.2203-0.0000 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0299 -23.0299 -22.7355 -22.7355 -22.5490 -22.5490 -22.3636 -22.3636 -22.3511 -22.3511 -22.3503 -22.3503 -7.0041 -7.0030 -6.6176 -6.6162 -5.8821 -5.8711 -5.7952 -5.7844 -5.6274 -5.6243 -5.1201 -5.1126 -4.2523 -4.2340 -4.0284 -4.0159 -3.6827 -3.6686 -3.5566 -3.5540 -3.4476 -3.4356 -3.2954 -3.2766 -3.0755 -3.0540 -2.7978 -2.7970 -2.7798 -2.7743 -2.6492 -2.6396 -2.3811 -2.3703 -2.1993 -2.1981 7.4794 7.4795 9.2523 9.2524 10.8051 10.8069 11.1284 11.1322 11.5679 11.5737 k = 0.3947 0.2279-0.0000 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0213 -23.0213 -22.7444 -22.7444 -22.5486 -22.5486 -22.3635 -22.3635 -22.3515 -22.3515 -22.3509 -22.3509 -7.0076 -7.0066 -6.6104 -6.6091 -5.8817 -5.8715 -5.7966 -5.7865 -5.6235 -5.6207 -5.1033 -5.0965 -4.2464 -4.2284 -4.0405 -4.0275 -3.6637 -3.6489 -3.5715 -3.5694 -3.4434 -3.4326 -3.3156 -3.2969 -3.0820 -3.0623 -2.7966 -2.7958 -2.7772 -2.7721 -2.6612 -2.6522 -2.3816 -2.3717 -2.1950 -2.1939 7.5706 7.5707 9.1559 9.1560 10.8151 10.8168 11.1595 11.1634 11.5698 11.5755 k = 0.4079 0.2355-0.0000 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0131 -23.0131 -22.7529 -22.7529 -22.5481 -22.5481 -22.3634 -22.3634 -22.3519 -22.3518 -22.3514 -22.3514 -7.0107 -7.0098 -6.6039 -6.6027 -5.8813 -5.8719 -5.7979 -5.7886 -5.6199 -5.6173 -5.0881 -5.0820 -4.2394 -4.2215 -4.0536 -4.0401 -3.6447 -3.6289 -3.5848 -3.5836 -3.4389 -3.4294 -3.3360 -3.3175 -3.0879 -3.0702 -2.7953 -2.7944 -2.7747 -2.7700 -2.6719 -2.6637 -2.3820 -2.3731 -2.1912 -2.1902 7.6629 7.6630 9.0588 9.0590 10.8237 10.8252 11.1864 11.1901 11.5752 11.5807 k = 0.4211 0.2431-0.0000 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0054 -23.0054 -22.7608 -22.7608 -22.5477 -22.5477 -22.3633 -22.3633 -22.3522 -22.3522 -22.3519 -22.3519 -7.0134 -7.0127 -6.5983 -6.5972 -5.8807 -5.8723 -5.7990 -5.7906 -5.6164 -5.6142 -5.0745 -5.0692 -4.2311 -4.2136 -4.0675 -4.0536 -3.6266 -3.6087 -3.5963 -3.5953 -3.4347 -3.4265 -3.3565 -3.3383 -3.0932 -3.0777 -2.7939 -2.7930 -2.7723 -2.7682 -2.6814 -2.6741 -2.3823 -2.3746 -2.1878 -2.1870 7.7561 7.7562 8.9615 8.9616 10.8309 10.8322 11.2087 11.2122 11.5837 11.5888 k = 0.4342 0.2507-0.0000 ( 7606 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9983 -22.9983 -22.7681 -22.7681 -22.5474 -22.5474 -22.3632 -22.3632 -22.3524 -22.3524 -22.3523 -22.3523 -7.0157 -7.0151 -6.5934 -6.5925 -5.8799 -5.8727 -5.7998 -5.7926 -5.6133 -5.6114 -5.0627 -5.0582 -4.2217 -4.2044 -4.0820 -4.0677 -3.6164 -3.6073 -3.5959 -3.5883 -3.4308 -3.4240 -3.3769 -3.3591 -3.0977 -3.0845 -2.7925 -2.7916 -2.7701 -2.7665 -2.6895 -2.6832 -2.3825 -2.3759 -2.1850 -2.1843 7.8498 7.8500 8.8641 8.8643 10.8368 10.8379 11.2264 11.2294 11.5945 11.5990 k = 0.4474 0.2583-0.0000 ( 7598 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9921 -22.9921 -22.7745 -22.7744 -22.5471 -22.5471 -22.3631 -22.3631 -22.3527 -22.3527 -22.3526 -22.3526 -7.0176 -7.0171 -6.5894 -6.5887 -5.8791 -5.8732 -5.8003 -5.7944 -5.6106 -5.6090 -5.0528 -5.0491 -4.2112 -4.1943 -4.0969 -4.0823 -3.6203 -3.6162 -3.5803 -3.5681 -3.4274 -3.4219 -3.3971 -3.3799 -3.1013 -3.0906 -2.7912 -2.7903 -2.7681 -2.7652 -2.6962 -2.6910 -2.3825 -2.3772 -2.1826 -2.1821 7.9435 7.9437 8.7674 8.7676 10.8415 10.8424 11.2398 11.2424 11.6063 11.6100 k = 0.4605 0.2659-0.0000 ( 7598 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9869 -22.9869 -22.7797 -22.7797 -22.5469 -22.5469 -22.3631 -22.3631 -22.3528 -22.3528 -22.3528 -22.3528 -7.0190 -7.0187 -6.5862 -6.5857 -5.8783 -5.8737 -5.8006 -5.7960 -5.6083 -5.6071 -5.0448 -5.0421 -4.1998 -4.1833 -4.1118 -4.0970 -3.6258 -3.6233 -3.5615 -3.5484 -3.4245 -3.4204 -3.4166 -3.4004 -3.1039 -3.0957 -2.7899 -2.7891 -2.7664 -2.7642 -2.7014 -2.6974 -2.3825 -2.3784 -2.1808 -2.1803 8.0363 8.0364 8.6724 8.6725 10.8452 10.8458 11.2495 11.2515 11.6175 11.6204 k = 0.4737 0.2735-0.0000 ( 7606 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9831 -22.9831 -22.7837 -22.7837 -22.5467 -22.5467 -22.3630 -22.3630 -22.3530 -22.3530 -22.3530 -22.3530 -7.0201 -7.0198 -6.5840 -6.5836 -5.8774 -5.8743 -5.8006 -5.7975 -5.6066 -5.6058 -5.0390 -5.0371 -4.1875 -4.1718 -4.1263 -4.1117 -3.6300 -3.6284 -3.5428 -3.5305 -3.4343 -3.4223 -3.4201 -3.4195 -3.1054 -3.0999 -2.7888 -2.7882 -2.7651 -2.7636 -2.7051 -2.7023 -2.3822 -2.3795 -2.1794 -2.1791 8.1256 8.1258 8.5813 8.5815 10.8478 10.8482 11.2561 11.2574 11.6269 11.6288 k = 0.4868 0.2811-0.0000 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9807 -22.9807 -22.7861 -22.7861 -22.5467 -22.5467 -22.3630 -22.3630 -22.3531 -22.3531 -22.3530 -22.3530 -7.0207 -7.0205 -6.5825 -6.5824 -5.8766 -5.8750 -5.8003 -5.7987 -5.6055 -5.6051 -5.0353 -5.0343 -4.1748 -4.1618 -4.1382 -4.1258 -3.6324 -3.6316 -3.5261 -3.5174 -3.4471 -3.4374 -3.4207 -3.4193 -3.1058 -3.1030 -2.7881 -2.7878 -2.7641 -2.7634 -2.7070 -2.7056 -2.3818 -2.3805 -2.1786 -2.1784 8.2037 8.2038 8.5023 8.5024 10.8493 10.8496 11.2599 11.2606 11.6332 11.6342 k = 0.5000 0.2887-0.0000 ( 7610 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9798 -22.9798 -22.7870 -22.7870 -22.5466 -22.5466 -22.3630 -22.3630 -22.3532 -22.3532 -22.3531 -22.3531 -7.0208 -7.0208 -6.5820 -6.5820 -5.8757 -5.8757 -5.7996 -5.7996 -5.6050 -5.6050 -5.0337 -5.0337 -4.1633 -4.1633 -4.1376 -4.1376 -3.6329 -3.6329 -3.5155 -3.5155 -3.4485 -3.4485 -3.4197 -3.4197 -3.1050 -3.1050 -2.7877 -2.7877 -2.7635 -2.7635 -2.7072 -2.7072 -2.3812 -2.3812 -2.1783 -2.1783 8.2416 8.2416 8.4642 8.4642 10.8499 10.8499 11.2614 11.2614 11.6357 11.6357 k = 0.5000 0.2887-0.0000 ( 7610 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9798 -22.9798 -22.7870 -22.7870 -22.5466 -22.5466 -22.3630 -22.3630 -22.3532 -22.3532 -22.3531 -22.3531 -7.0208 -7.0208 -6.5820 -6.5820 -5.8757 -5.8757 -5.7996 -5.7996 -5.6050 -5.6050 -5.0337 -5.0337 -4.1633 -4.1633 -4.1376 -4.1376 -3.6329 -3.6329 -3.5155 -3.5155 -3.4485 -3.4485 -3.4197 -3.4197 -3.1050 -3.1050 -2.7877 -2.7877 -2.7635 -2.7635 -2.7072 -2.7072 -2.3812 -2.3812 -2.1783 -2.1783 8.2416 8.2416 8.4642 8.4642 10.8499 10.8499 11.2614 11.2614 11.6357 11.6357 k = 0.4924 0.3018-0.0000 ( 7612 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9796 -22.9796 -22.7871 -22.7871 -22.5467 -22.5467 -22.3630 -22.3630 -22.3532 -22.3532 -22.3531 -22.3531 -7.0213 -7.0212 -6.5809 -6.5807 -5.8773 -5.8768 -5.7996 -5.7992 -5.6053 -5.6042 -5.0340 -5.0329 -4.1637 -4.1623 -4.1376 -4.1368 -3.6351 -3.6330 -3.5159 -3.5130 -3.4509 -3.4497 -3.4185 -3.4176 -3.1054 -3.1037 -2.7994 -2.7958 -2.7558 -2.7520 -2.7081 -2.7075 -2.3818 -2.3806 -2.1790 -2.1780 8.2431 8.2431 8.4654 8.4654 10.8321 10.8325 11.2782 11.2785 11.6368 11.6369 k = 0.4848 0.3149-0.0000 ( 7604 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9789 -22.9789 -22.7876 -22.7876 -22.5470 -22.5470 -22.3630 -22.3630 -22.3532 -22.3532 -22.3530 -22.3530 -7.0227 -7.0225 -6.5774 -6.5770 -5.8814 -5.8805 -5.7992 -5.7984 -5.6051 -5.6029 -5.0337 -5.0315 -4.1636 -4.1609 -4.1370 -4.1354 -3.6394 -3.6354 -3.5141 -3.5087 -3.4557 -3.4538 -3.4148 -3.4135 -3.1051 -3.1016 -2.8166 -2.8127 -2.7399 -2.7355 -2.7103 -2.7091 -2.3824 -2.3799 -2.1802 -2.1781 8.2476 8.2477 8.4690 8.4690 10.7857 10.7862 11.3225 11.3230 11.6399 11.6401 k = 0.4773 0.3280-0.0000 ( 7604 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9778 -22.9778 -22.7885 -22.7884 -22.5475 -22.5475 -22.3630 -22.3630 -22.3531 -22.3531 -22.3529 -22.3529 -7.0250 -7.0247 -6.5716 -6.5711 -5.8879 -5.8867 -5.7983 -5.7971 -5.6045 -5.6014 -5.0329 -5.0297 -4.1631 -4.1590 -4.1356 -4.1332 -3.6453 -3.6398 -3.5104 -3.5029 -3.4619 -3.4595 -3.4099 -3.4084 -3.1040 -3.0988 -2.8348 -2.8310 -2.7234 -2.7194 -2.7128 -2.7116 -2.3829 -2.3793 -2.1818 -2.1788 8.2551 8.2552 8.4750 8.4750 10.7219 10.7226 11.3828 11.3834 11.6451 11.6454 k = 0.4697 0.3412-0.0000 ( 7612 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9762 -22.9762 -22.7896 -22.7896 -22.5482 -22.5482 -22.3629 -22.3629 -22.3531 -22.3531 -22.3528 -22.3528 -7.0279 -7.0275 -6.5635 -6.5629 -5.8967 -5.8951 -5.7968 -5.7954 -5.6036 -5.5998 -5.0314 -5.0274 -4.1620 -4.1566 -4.1336 -4.1304 -3.6524 -3.6460 -3.5053 -3.4962 -3.4684 -3.4657 -3.4044 -3.4029 -3.1022 -3.0953 -2.8535 -2.8499 -2.7193 -2.7169 -2.7053 -2.7007 -2.3835 -2.3787 -2.1838 -2.1798 8.2656 8.2658 8.4834 8.4835 10.6483 10.6490 11.4517 11.4523 11.6524 11.6528 k = 0.4621 0.3543-0.0000 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9742 -22.9742 -22.7911 -22.7911 -22.5491 -22.5491 -22.3629 -22.3629 -22.3531 -22.3531 -22.3526 -22.3526 -7.0315 -7.0311 -6.5535 -6.5527 -5.9075 -5.9057 -5.7949 -5.7932 -5.6027 -5.5984 -5.0294 -5.0245 -4.1606 -4.1539 -4.1310 -4.1269 -3.6603 -3.6533 -3.4995 -3.4897 -3.4743 -3.4718 -3.3989 -3.3974 -3.0997 -3.0911 -2.8723 -2.8689 -2.7251 -2.7219 -2.6889 -2.6841 -2.3841 -2.3783 -2.1861 -2.1813 8.2791 8.2794 8.4941 8.4943 10.5689 10.5697 11.5251 11.5257 11.6616 11.6622 k = 0.4545 0.3674-0.0000 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9717 -22.9717 -22.7930 -22.7930 -22.5501 -22.5501 -22.3629 -22.3629 -22.3531 -22.3531 -22.3524 -22.3524 -7.0356 -7.0351 -6.5415 -6.5406 -5.9200 -5.9180 -5.7925 -5.7905 -5.6021 -5.5973 -5.0268 -5.0213 -4.1586 -4.1509 -4.1278 -4.1229 -3.6688 -3.6616 -3.4950 -3.4885 -3.4759 -3.4746 -3.3934 -3.3920 -3.0966 -3.0865 -2.8911 -2.8881 -2.7322 -2.7284 -2.6725 -2.6676 -2.3848 -2.3781 -2.1887 -2.1830 8.2955 8.2958 8.5072 8.5074 10.4857 10.4865 11.6009 11.6016 11.6728 11.6735 k = 0.4470 0.3805-0.0000 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9687 -22.9687 -22.7952 -22.7952 -22.5512 -22.5512 -22.3628 -22.3628 -22.3531 -22.3531 -22.3522 -22.3522 -7.0400 -7.0395 -6.5278 -6.5268 -5.9341 -5.9320 -5.7895 -5.7873 -5.6017 -5.5968 -5.0237 -5.0176 -4.1564 -4.1475 -4.1242 -4.1185 -3.6776 -3.6703 -3.4958 -3.4942 -3.4742 -3.4674 -3.3880 -3.3867 -3.0932 -3.0815 -2.9098 -2.9071 -2.7404 -2.7360 -2.6564 -2.6515 -2.3856 -2.3781 -2.1914 -2.1850 8.3148 8.3152 8.5227 8.5228 10.3998 10.4005 11.6774 11.6787 11.6859 11.6872 k = 0.4394 0.3936-0.0000 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9654 -22.9654 -22.7978 -22.7978 -22.5525 -22.5525 -22.3628 -22.3628 -22.3530 -22.3530 -22.3520 -22.3520 -7.0447 -7.0441 -6.5125 -6.5115 -5.9495 -5.9474 -5.7860 -5.7836 -5.6020 -5.5970 -5.0199 -5.0134 -4.1538 -4.1439 -4.1202 -4.1138 -3.6865 -3.6794 -3.5015 -3.5012 -3.4672 -3.4584 -3.3828 -3.3815 -3.0896 -3.0765 -2.9281 -2.9259 -2.7496 -2.7446 -2.6406 -2.6357 -2.3867 -2.3786 -2.1941 -2.1872 8.3370 8.3374 8.5404 8.5406 10.3117 10.3125 11.7004 11.7010 11.7563 11.7568 k = 0.4318 0.4068-0.0000 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9616 -22.9616 -22.8008 -22.8008 -22.5537 -22.5537 -22.3627 -22.3627 -22.3530 -22.3530 -22.3518 -22.3518 -7.0494 -7.0488 -6.4959 -6.4948 -5.9659 -5.9638 -5.7819 -5.7793 -5.6029 -5.5980 -5.0157 -5.0090 -4.1509 -4.1400 -4.1160 -4.1088 -3.6955 -3.6886 -3.5090 -3.5081 -3.4581 -3.4486 -3.3777 -3.3766 -3.0861 -3.0717 -2.9457 -2.9439 -2.7598 -2.7542 -2.6251 -2.6203 -2.3882 -2.3795 -2.1969 -2.1896 8.3620 8.3624 8.5603 8.5606 10.2219 10.2226 11.7166 11.7173 11.8346 11.8350 k = 0.4242 0.4199-0.0000 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9574 -22.9574 -22.8042 -22.8042 -22.5550 -22.5550 -22.3627 -22.3627 -22.3529 -22.3529 -22.3516 -22.3516 -7.0542 -7.0536 -6.4782 -6.4770 -5.9833 -5.9813 -5.7774 -5.7746 -5.6046 -5.6000 -5.0111 -5.0043 -4.1478 -4.1361 -4.1115 -4.1037 -3.7042 -3.6977 -3.5166 -3.5154 -3.4481 -3.4384 -3.3729 -3.3718 -3.0835 -3.0680 -2.9620 -2.9605 -2.7708 -2.7646 -2.6100 -2.6052 -2.3899 -2.3810 -2.1995 -2.1920 8.3897 8.3902 8.5825 8.5828 10.1307 10.1313 11.7341 11.7349 11.9129 11.9133 k = 0.4167 0.4330-0.0000 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9528 -22.9528 -22.8080 -22.8080 -22.5563 -22.5563 -22.3626 -22.3626 -22.3529 -22.3529 -22.3514 -22.3514 -7.0588 -7.0582 -6.4594 -6.4582 -6.0015 -5.9996 -5.7722 -5.7693 -5.6071 -5.6029 -5.0061 -4.9993 -4.1446 -4.1320 -4.1071 -4.0986 -3.7127 -3.7066 -3.5240 -3.5227 -3.4373 -3.4277 -3.3682 -3.3672 -3.0827 -3.0666 -2.9762 -2.9745 -2.7825 -2.7757 -2.5953 -2.5906 -2.3922 -2.3831 -2.2020 -2.1943 8.4201 8.4206 8.6068 8.6071 10.0381 10.0387 11.7528 11.7535 11.9909 11.9912 k = 0.4091 0.4461-0.0000 ( 7636 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9477 -22.9477 -22.8123 -22.8123 -22.5576 -22.5576 -22.3626 -22.3626 -22.3528 -22.3528 -22.3513 -22.3513 -7.0633 -7.0627 -6.4397 -6.4385 -6.0202 -6.0185 -5.7666 -5.7634 -5.6105 -5.6068 -5.0008 -4.9942 -4.1412 -4.1278 -4.1027 -4.0937 -3.7208 -3.7152 -3.5312 -3.5299 -3.4261 -3.4166 -3.3637 -3.3627 -3.0848 -3.0691 -2.9868 -2.9841 -2.7949 -2.7875 -2.5809 -2.5764 -2.3950 -2.3859 -2.2041 -2.1966 8.4530 8.4536 8.6332 8.6336 9.9443 9.9449 11.7722 11.7730 12.0683 12.0686 k = 0.4015 0.4593-0.0000 ( 7628 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9423 -22.9423 -22.8169 -22.8169 -22.5588 -22.5588 -22.3625 -22.3625 -22.3528 -22.3527 -22.3511 -22.3511 -7.0675 -7.0669 -6.4194 -6.4182 -6.0395 -6.0380 -5.7604 -5.7571 -5.6147 -5.6116 -4.9954 -4.9892 -4.1378 -4.1236 -4.0985 -4.0891 -3.7284 -3.7233 -3.5380 -3.5368 -3.4143 -3.4052 -3.3593 -3.3583 -3.0911 -3.0769 -2.9929 -2.9881 -2.8078 -2.7997 -2.5670 -2.5626 -2.3983 -2.3895 -2.2060 -2.1987 8.4886 8.4892 8.6617 8.6621 9.8495 9.8501 11.7923 11.7931 12.1445 12.1448 k = 0.3939 0.4724-0.0000 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9365 -22.9365 -22.8220 -22.8220 -22.5599 -22.5599 -22.3625 -22.3625 -22.3527 -22.3527 -22.3511 -22.3510 -7.0713 -7.0708 -6.3985 -6.3973 -6.0592 -6.0579 -5.7537 -5.7502 -5.6198 -5.6173 -4.9900 -4.9842 -4.1343 -4.1193 -4.0947 -4.0850 -3.7355 -3.7310 -3.5444 -3.5433 -3.4021 -3.3934 -3.3551 -3.3541 -3.1017 -3.0896 -2.9942 -2.9869 -2.8211 -2.8124 -2.5535 -2.5493 -2.4022 -2.3938 -2.2075 -2.2007 8.5266 8.5273 8.6920 8.6925 9.7538 9.7543 11.8125 11.8133 12.1989 12.1991 k = 0.3864 0.4855-0.0000 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9304 -22.9304 -22.8276 -22.8276 -22.5609 -22.5609 -22.3624 -22.3624 -22.3526 -22.3526 -22.3510 -22.3510 -7.0748 -7.0744 -6.3771 -6.3760 -6.0793 -6.0781 -5.7466 -5.7429 -5.6256 -5.6238 -4.9846 -4.9794 -4.1308 -4.1151 -4.0914 -4.0815 -3.7420 -3.7380 -3.5503 -3.5493 -3.3896 -3.3813 -3.3509 -3.3499 -3.1157 -3.1055 -2.9917 -2.9820 -2.8346 -2.8253 -2.5404 -2.5364 -2.4068 -2.3990 -2.2086 -2.2024 8.5669 8.5677 8.7243 8.7248 9.6573 9.6578 11.8325 11.8333 12.2373 12.2375 k = 0.3788 0.4986-0.0000 ( 7634 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9238 -22.9238 -22.8336 -22.8336 -22.5618 -22.5618 -22.3624 -22.3624 -22.3525 -22.3525 -22.3510 -22.3510 -7.0780 -7.0775 -6.3555 -6.3545 -6.0996 -6.0987 -5.7389 -5.7351 -5.6320 -5.6310 -4.9795 -4.9749 -4.1273 -4.1109 -4.0887 -4.0788 -3.7478 -3.7444 -3.5556 -3.5548 -3.3768 -3.3690 -3.3468 -3.3457 -3.1319 -3.1232 -2.9864 -2.9749 -2.8483 -2.8384 -2.5277 -2.5239 -2.4121 -2.4049 -2.2094 -2.2039 8.6096 8.6105 8.7582 8.7587 9.5601 9.5606 11.8519 11.8526 12.2775 12.2776 k = 0.3712 0.5117-0.0000 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9170 -22.9170 -22.8400 -22.8400 -22.5626 -22.5626 -22.3623 -22.3623 -22.3524 -22.3524 -22.3510 -22.3510 -7.0806 -7.0803 -6.3337 -6.3327 -6.1202 -6.1195 -5.7309 -5.7269 -5.6392 -5.6389 -4.9748 -4.9708 -4.1238 -4.1067 -4.0867 -4.0769 -3.7528 -3.7500 -3.5602 -3.5596 -3.3640 -3.3569 -3.3427 -3.3414 -3.1490 -3.1416 -2.9793 -2.9663 -2.8619 -2.8515 -2.5156 -2.5120 -2.4180 -2.4115 -2.2098 -2.2052 8.6546 8.6554 8.7936 8.7943 9.4625 9.4629 11.8700 11.8706 12.3194 12.3195 k = 0.3636 0.5249-0.0000 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9098 -22.9097 -22.8468 -22.8468 -22.5632 -22.5632 -22.3623 -22.3623 -22.3522 -22.3522 -22.3510 -22.3510 -7.0828 -7.0825 -6.3118 -6.3110 -6.1409 -6.1404 -5.7224 -5.7183 -5.6473 -5.6468 -4.9706 -4.9673 -4.1205 -4.1024 -4.0855 -4.0761 -3.7570 -3.7548 -3.5640 -3.5637 -3.3518 -3.3456 -3.3384 -3.3366 -3.1662 -3.1598 -2.9712 -2.9568 -2.8754 -2.8644 -2.5038 -2.5006 -2.4244 -2.4187 -2.2100 -2.2062 8.7016 8.7026 8.8303 8.8310 9.3649 9.3652 11.8863 11.8869 12.3628 12.3629 k = 0.3561 0.5380-0.0000 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9022 -22.9022 -22.8540 -22.8540 -22.5637 -22.5637 -22.3623 -22.3623 -22.3521 -22.3521 -22.3511 -22.3511 -7.0846 -7.0843 -6.2900 -6.2893 -6.1617 -6.1614 -5.7137 -5.7093 -5.6561 -5.6549 -4.9670 -4.9645 -4.1173 -4.0982 -4.0852 -4.0763 -3.7603 -3.7587 -3.5671 -3.5669 -3.3412 -3.3370 -3.3332 -3.3300 -3.1825 -3.1772 -2.9623 -2.9466 -2.8884 -2.8771 -2.4927 -2.4898 -2.4315 -2.4264 -2.2099 -2.2071 8.7507 8.7517 8.8674 8.8682 9.2679 9.2682 11.9002 11.9007 12.4074 12.4074 k = 0.3485 0.5511-0.0000 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.8944 -22.8944 -22.8616 -22.8616 -22.5641 -22.5641 -22.3623 -22.3623 -22.3520 -22.3519 -22.3513 -22.3513 -7.0858 -7.0856 -6.2683 -6.2677 -6.1825 -6.1824 -5.7048 -5.7001 -5.6652 -5.6634 -4.9642 -4.9625 -4.1144 -4.0939 -4.0855 -4.0777 -3.7626 -3.7616 -3.5693 -3.5692 -3.3342 -3.3315 -3.3263 -3.3225 -3.1963 -3.1924 -2.9532 -2.9360 -2.9007 -2.8893 -2.4823 -2.4800 -2.4388 -2.4343 -2.2096 -2.2078 8.8018 8.8029 8.9030 8.9039 9.1736 9.1738 11.9110 11.9113 12.4524 12.4524 k = 0.3409 0.5642-0.0000 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.8863 -22.8863 -22.8696 -22.8696 -22.5643 -22.5643 -22.3622 -22.3622 -22.3518 -22.3518 -22.3514 -22.3514 -7.0865 -7.0864 -6.2470 -6.2466 -6.2033 -6.2031 -5.6960 -5.6908 -5.6742 -5.6722 -4.9623 -4.9614 -4.1122 -4.0897 -4.0862 -4.0801 -3.7640 -3.7635 -3.5706 -3.5706 -3.3299 -3.3271 -3.3205 -3.3181 -3.2057 -3.2035 -2.9447 -2.9251 -2.9112 -2.9010 -2.4732 -2.4719 -2.4458 -2.4415 -2.2092 -2.2083 8.8548 8.8559 8.9288 8.9300 9.0902 9.0903 11.9180 11.9182 12.4972 12.4972 k = 0.3333 0.5774-0.0000 ( 7608 PWs) bands (ev): -98.0642 -98.0642 -98.0642 -98.0642 -98.0641 -98.0641 -22.8780 -22.8779 -22.8779 -22.8779 -22.5643 -22.5643 -22.3622 -22.3622 -22.3516 -22.3516 -22.3516 -22.3516 -7.0867 -7.0867 -6.2302 -6.2302 -6.2199 -6.2193 -5.6903 -5.6821 -5.6803 -5.6803 -4.9613 -4.9613 -4.1113 -4.0868 -4.0868 -4.0823 -3.7643 -3.7643 -3.5711 -3.5711 -3.3277 -3.3242 -3.3183 -3.3183 -3.2083 -3.2083 -2.9404 -2.9167 -2.9167 -2.9093 -2.4684 -2.4684 -2.4496 -2.4450 -2.2088 -2.2088 8.9079 8.9102 8.9114 8.9114 9.0532 9.0532 11.9205 11.9205 12.5371 12.5377 k = 0.3333 0.5774-0.0000 ( 7608 PWs) bands (ev): -98.0642 -98.0642 -98.0642 -98.0642 -98.0641 -98.0641 -22.8780 -22.8779 -22.8779 -22.8779 -22.5643 -22.5643 -22.3622 -22.3622 -22.3516 -22.3516 -22.3516 -22.3516 -7.0867 -7.0867 -6.2302 -6.2302 -6.2199 -6.2193 -5.6903 -5.6821 -5.6803 -5.6803 -4.9613 -4.9613 -4.1113 -4.0868 -4.0868 -4.0823 -3.7643 -3.7643 -3.5711 -3.5711 -3.3277 -3.3242 -3.3183 -3.3183 -3.2083 -3.2083 -2.9404 -2.9167 -2.9167 -2.9093 -2.4684 -2.4684 -2.4496 -2.4450 -2.2088 -2.2088 8.9079 8.9102 8.9114 8.9114 9.0532 9.0532 11.9205 11.9205 12.5370 12.5373 k = 0.3256 0.5639-0.0000 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.8868 -22.8868 -22.8691 -22.8691 -22.5643 -22.5643 -22.3622 -22.3622 -22.3518 -22.3518 -22.3514 -22.3514 -7.0865 -7.0864 -6.2474 -6.2469 -6.2030 -6.2028 -5.6966 -5.6907 -5.6746 -5.6714 -4.9623 -4.9615 -4.1125 -4.0902 -4.0863 -4.0793 -3.7639 -3.7635 -3.5707 -3.5705 -3.3321 -3.3306 -3.3167 -3.3161 -3.2056 -3.2035 -2.9450 -2.9244 -2.9122 -2.9004 -2.4730 -2.4725 -2.4455 -2.4415 -2.2092 -2.2083 8.8311 8.8319 8.9675 8.9687 9.0754 9.0758 11.9177 11.9179 12.4867 12.4868 k = 0.3178 0.5505-0.0000 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.8960 -22.8960 -22.8601 -22.8601 -22.5641 -22.5641 -22.3623 -22.3623 -22.3520 -22.3520 -22.3512 -22.3512 -7.0857 -7.0856 -6.2687 -6.2680 -6.1822 -6.1822 -5.7062 -5.7001 -5.6655 -5.6618 -4.9646 -4.9629 -4.1162 -4.0964 -4.0842 -4.0745 -3.7622 -3.7614 -3.5694 -3.5690 -3.3447 -3.3444 -3.3131 -3.3115 -3.1964 -3.1929 -2.9537 -2.9343 -2.9023 -2.8883 -2.4821 -2.4813 -2.4376 -2.4343 -2.2097 -2.2079 8.7351 8.7357 9.0270 9.0282 9.1163 9.1169 11.9091 11.9094 12.4184 12.4185 k = 0.3101 0.5371-0.0000 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9054 -22.9054 -22.8508 -22.8508 -22.5638 -22.5638 -22.3623 -22.3623 -22.3523 -22.3522 -22.3509 -22.3509 -7.0845 -7.0842 -6.2902 -6.2893 -6.1618 -6.1616 -5.7162 -5.7096 -5.6564 -5.6523 -4.9681 -4.9656 -4.1221 -4.1037 -4.0810 -4.0694 -3.7592 -3.7580 -3.5675 -3.5667 -3.3623 -3.3611 -3.3086 -3.3063 -3.1831 -3.1786 -2.9628 -2.9436 -2.8909 -2.8756 -2.4928 -2.4916 -2.4292 -2.4265 -2.2102 -2.2076 8.6350 8.6355 9.0881 9.0894 9.1627 9.1635 11.8943 11.8949 12.3427 12.3429 k = 0.3023 0.5236-0.0000 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9151 -22.9151 -22.8413 -22.8413 -22.5634 -22.5634 -22.3623 -22.3623 -22.3525 -22.3525 -22.3507 -22.3507 -7.0826 -7.0823 -6.3116 -6.3106 -6.1419 -6.1414 -5.7262 -5.7190 -5.6473 -5.6432 -4.9731 -4.9697 -4.1296 -4.1121 -4.0769 -4.0641 -3.7546 -3.7531 -3.5649 -3.5635 -3.3820 -3.3803 -3.3036 -3.3007 -3.1673 -3.1622 -2.9715 -2.9520 -2.8786 -2.8625 -2.5043 -2.5026 -2.4209 -2.4186 -2.2108 -2.2075 8.5335 8.5339 9.1506 9.1520 9.2119 9.2127 11.8734 11.8741 12.2633 12.2636 k = 0.2946 0.5102-0.0000 ( 7628 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9250 -22.9250 -22.8317 -22.8317 -22.5630 -22.5630 -22.3624 -22.3624 -22.3527 -22.3527 -22.3504 -22.3504 -7.0803 -7.0799 -6.3330 -6.3318 -6.1223 -6.1217 -5.7361 -5.7283 -5.6387 -5.6345 -4.9794 -4.9753 -4.1383 -4.1212 -4.0722 -4.0586 -3.7485 -3.7468 -3.5618 -3.5597 -3.4027 -3.4008 -3.2983 -3.2947 -3.1501 -3.1444 -2.9794 -2.9596 -2.8657 -2.8490 -2.5163 -2.5142 -2.4129 -2.4110 -2.2116 -2.2075 8.4315 8.4319 9.2145 9.2160 9.2628 9.2638 11.8465 11.8473 12.1822 12.1825 k = 0.2868 0.4968-0.0000 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9351 -22.9351 -22.8219 -22.8218 -22.5624 -22.5624 -22.3624 -22.3624 -22.3529 -22.3529 -22.3501 -22.3501 -7.0775 -7.0770 -6.3542 -6.3529 -6.1033 -6.1024 -5.7459 -5.7375 -5.6306 -5.6263 -4.9872 -4.9824 -4.1479 -4.1310 -4.0672 -4.0530 -3.7408 -3.7388 -3.5583 -3.5553 -3.4240 -3.4220 -3.2926 -3.2882 -3.1321 -3.1259 -2.9865 -2.9663 -2.8522 -2.8350 -2.5287 -2.5262 -2.4053 -2.4038 -2.2125 -2.2078 8.3296 8.3299 9.2796 9.2812 9.3152 9.3162 11.8139 11.8148 12.1004 12.1008 k = 0.2791 0.4834-0.0000 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9453 -22.9453 -22.8119 -22.8119 -22.5619 -22.5619 -22.3625 -22.3625 -22.3530 -22.3530 -22.3498 -22.3498 -7.0742 -7.0736 -6.3754 -6.3738 -6.0848 -6.0836 -5.7554 -5.7464 -5.6231 -5.6187 -4.9965 -4.9910 -4.1580 -4.1411 -4.0620 -4.0473 -3.7315 -3.7292 -3.5546 -3.5506 -3.4456 -3.4435 -3.2865 -3.2813 -3.1137 -3.1070 -2.9926 -2.9721 -2.8382 -2.8206 -2.5413 -2.5385 -2.3981 -2.3970 -2.2136 -2.2083 8.2279 8.2282 9.3459 9.3475 9.3686 9.3697 11.7761 11.7772 12.0185 12.0189 k = 0.2713 0.4699-0.0000 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9557 -22.9557 -22.8019 -22.8019 -22.5613 -22.5613 -22.3626 -22.3626 -22.3532 -22.3532 -22.3494 -22.3494 -7.0705 -7.0697 -6.3963 -6.3947 -6.0667 -6.0654 -5.7646 -5.7550 -5.6163 -5.6119 -5.0074 -5.0011 -4.1683 -4.1514 -4.0567 -4.0417 -3.7204 -3.7178 -3.5509 -3.5457 -3.4672 -3.4650 -3.2799 -3.2738 -3.0953 -3.0881 -2.9978 -2.9769 -2.8236 -2.8055 -2.5542 -2.5510 -2.3914 -2.3906 -2.2150 -2.2092 8.1268 8.1270 9.4130 9.4147 9.4231 9.4242 11.7339 11.7351 11.9369 11.9374 k = 0.2636 0.4565-0.0000 ( 7636 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9661 -22.9661 -22.7918 -22.7917 -22.5607 -22.5607 -22.3627 -22.3627 -22.3532 -22.3532 -22.3491 -22.3491 -7.0662 -7.0654 -6.4172 -6.4154 -6.0491 -6.0476 -5.7735 -5.7634 -5.6103 -5.6059 -5.0197 -5.0128 -4.1788 -4.1616 -4.0514 -4.0361 -3.7077 -3.7047 -3.5473 -3.5408 -3.4887 -3.4863 -3.2728 -3.2658 -3.0770 -3.0693 -3.0022 -2.9809 -2.8083 -2.7899 -2.5672 -2.5638 -2.3851 -2.3847 -2.2166 -2.2104 8.0262 8.0265 9.4778 9.4794 9.4814 9.4829 11.6879 11.6891 11.8560 11.8565 k = 0.2558 0.4431-0.0000 ( 7640 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9767 -22.9766 -22.7816 -22.7815 -22.5601 -22.5601 -22.3628 -22.3628 -22.3533 -22.3533 -22.3487 -22.3487 -7.0616 -7.0607 -6.4378 -6.4360 -6.0321 -6.0303 -5.7820 -5.7714 -5.6052 -5.6007 -5.0335 -5.0260 -4.1890 -4.1717 -4.0462 -4.0307 -3.6936 -3.6901 -3.5441 -3.5361 -3.5095 -3.5070 -3.2652 -3.2572 -3.0590 -3.0509 -3.0056 -2.9841 -2.7923 -2.7737 -2.5803 -2.5767 -2.3793 -2.3791 -2.2186 -2.2119 7.9266 7.9268 9.5339 9.5354 9.5498 9.5515 11.6389 11.6402 11.7759 11.7764 k = 0.2481 0.4297-0.0000 ( 7636 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9872 -22.9872 -22.7713 -22.7713 -22.5595 -22.5595 -22.3629 -22.3629 -22.3532 -22.3532 -22.3483 -22.3483 -7.0565 -7.0555 -6.4583 -6.4564 -6.0155 -6.0135 -5.7901 -5.7790 -5.6009 -5.5965 -5.0487 -5.0407 -4.1989 -4.1813 -4.0410 -4.0255 -3.6785 -3.6741 -3.5425 -3.5320 -3.5284 -3.5263 -3.2571 -3.2481 -3.0415 -3.0330 -3.0082 -2.9864 -2.7756 -2.7567 -2.5933 -2.5896 -2.3740 -2.3739 -2.2209 -2.2138 7.8278 7.8280 9.5902 9.5918 9.6189 9.6207 11.5876 11.5890 11.6969 11.6974 k = 0.2403 0.4162-0.0000 ( 7628 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9977 -22.9977 -22.7611 -22.7611 -22.5590 -22.5590 -22.3631 -22.3631 -22.3531 -22.3531 -22.3479 -22.3479 -7.0510 -7.0499 -6.4786 -6.4766 -5.9993 -5.9971 -5.7978 -5.7862 -5.5975 -5.5932 -5.0654 -5.0569 -4.2083 -4.1904 -4.0360 -4.0206 -3.6633 -3.6576 -3.5515 -3.5445 -3.5356 -3.5276 -3.2483 -3.2383 -3.0246 -3.0161 -3.0096 -2.9879 -2.7582 -2.7391 -2.6064 -2.6026 -2.3694 -2.3689 -2.2235 -2.2161 7.7302 7.7303 9.6470 9.6486 9.6881 9.6900 11.5347 11.5361 11.6190 11.6196 k = 0.2326 0.4028-0.0000 ( 7634 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0082 -23.0082 -22.7509 -22.7509 -22.5585 -22.5585 -22.3632 -22.3632 -22.3530 -22.3530 -22.3475 -22.3475 -7.0452 -7.0440 -6.4986 -6.4966 -5.9837 -5.9812 -5.8050 -5.7930 -5.5951 -5.5908 -5.0833 -5.0743 -4.2169 -4.1987 -4.0313 -4.0159 -3.6505 -3.6431 -3.5653 -3.5576 -3.5347 -3.5244 -3.2389 -3.2280 -3.0114 -3.0084 -2.9988 -2.9887 -2.7400 -2.7208 -2.6192 -2.6155 -2.3652 -2.3645 -2.2264 -2.2188 7.6337 7.6339 9.7039 9.7056 9.7573 9.7592 11.4810 11.4824 11.5425 11.5431 k = 0.2248 0.3894-0.0000 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0186 -23.0186 -22.7407 -22.7407 -22.5581 -22.5581 -22.3634 -22.3634 -22.3527 -22.3527 -22.3470 -22.3470 -7.0389 -7.0377 -6.5184 -6.5163 -5.9685 -5.9658 -5.8118 -5.7993 -5.5937 -5.5894 -5.1025 -5.0931 -4.2247 -4.2062 -4.0267 -4.0115 -3.6449 -3.6363 -3.5701 -3.5616 -3.5335 -3.5219 -3.2289 -3.2170 -3.0116 -2.9930 -2.9887 -2.9831 -2.7212 -2.7018 -2.6319 -2.6283 -2.3614 -2.3605 -2.2298 -2.2219 7.5386 7.5388 9.7610 9.7628 9.8261 9.8281 11.4270 11.4285 11.4675 11.4682 k = 0.2171 0.3759-0.0000 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0290 -23.0290 -22.7306 -22.7306 -22.5577 -22.5577 -22.3635 -22.3635 -22.3524 -22.3524 -22.3465 -22.3465 -7.0324 -7.0311 -6.5380 -6.5359 -5.9537 -5.9509 -5.8180 -5.8052 -5.5931 -5.5889 -5.1228 -5.1129 -4.2314 -4.2127 -4.0225 -4.0075 -3.6501 -3.6427 -3.5605 -3.5530 -3.5326 -3.5202 -3.2183 -3.2055 -3.0113 -2.9883 -2.9781 -2.9681 -2.7020 -2.6823 -2.6441 -2.6408 -2.3581 -2.3569 -2.2335 -2.2254 7.4451 7.4452 9.8180 9.8199 9.8942 9.8962 11.3735 11.3749 11.3941 11.3948 k = 0.2093 0.3625-0.0000 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0392 -23.0392 -22.7206 -22.7206 -22.5574 -22.5574 -22.3637 -22.3637 -22.3520 -22.3520 -22.3460 -22.3460 -7.0256 -7.0242 -6.5573 -6.5551 -5.9395 -5.9365 -5.8237 -5.8106 -5.5934 -5.5893 -5.1441 -5.1339 -4.2371 -4.2181 -4.0184 -4.0037 -3.6629 -3.6573 -3.5445 -3.5359 -3.5291 -3.5186 -3.2070 -3.1935 -3.0104 -2.9872 -2.9642 -2.9539 -2.6829 -2.6623 -2.6552 -2.6530 -2.3552 -2.3538 -2.2376 -2.2294 7.3531 7.3532 9.8748 9.8768 9.9610 9.9631 11.3208 11.3223 11.3226 11.3232 k = 0.2016 0.3491-0.0000 ( 7639 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0493 -23.0493 -22.7107 -22.7107 -22.5571 -22.5571 -22.3639 -22.3638 -22.3515 -22.3515 -22.3455 -22.3455 -7.0185 -7.0171 -6.5763 -6.5741 -5.9257 -5.9225 -5.8289 -5.8154 -5.5946 -5.5906 -5.1663 -5.1557 -4.2417 -4.2224 -4.0146 -4.0003 -3.6793 -3.6748 -3.5397 -3.5244 -3.5106 -3.5072 -3.1953 -3.1811 -3.0090 -2.9855 -2.9509 -2.9404 -2.6733 -2.6651 -2.6560 -2.6416 -2.3527 -2.3512 -2.2421 -2.2338 7.2629 7.2630 9.9312 9.9334 10.0261 10.0283 11.2527 11.2535 11.2701 11.2715 k = 0.1938 0.3357-0.0000 ( 7631 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0592 -23.0592 -22.7010 -22.7010 -22.5570 -22.5570 -22.3640 -22.3640 -22.3510 -22.3509 -22.3450 -22.3450 -7.0112 -7.0097 -6.5949 -6.5928 -5.9124 -5.9090 -5.8336 -5.8197 -5.5965 -5.5926 -5.1892 -5.1784 -4.2450 -4.2254 -4.0110 -3.9971 -3.6970 -3.6932 -3.5417 -3.5249 -3.4841 -3.4822 -3.1830 -3.1682 -3.0070 -2.9834 -2.9384 -2.9277 -2.6819 -2.6766 -2.6378 -2.6207 -2.3506 -2.3490 -2.2470 -2.2386 7.1745 7.1746 9.9871 9.9894 10.0888 10.0910 11.1851 11.1860 11.2215 11.2229 k = 0.1860 0.3222-0.0000 ( 7641 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0689 -23.0689 -22.6914 -22.6914 -22.5569 -22.5569 -22.3642 -22.3642 -22.3503 -22.3503 -22.3445 -22.3445 -7.0036 -7.0021 -6.6132 -6.6111 -5.8996 -5.8961 -5.8377 -5.8235 -5.5991 -5.5954 -5.2128 -5.2017 -4.2470 -4.2272 -4.0076 -3.9941 -3.7151 -3.7118 -3.5455 -3.5280 -3.4552 -3.4540 -3.1703 -3.1550 -3.0046 -2.9809 -2.9265 -2.9157 -2.6924 -2.6876 -2.6170 -2.5997 -2.3489 -2.3473 -2.2522 -2.2438 7.0882 7.0883 10.0422 10.0445 10.1482 10.1505 11.1198 11.1207 11.1760 11.1773 k = 0.1783 0.3088-0.0000 ( 7643 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0784 -23.0784 -22.6820 -22.6820 -22.5569 -22.5569 -22.3644 -22.3644 -22.3496 -22.3496 -22.3439 -22.3439 -6.9959 -6.9943 -6.6312 -6.6291 -5.8873 -5.8837 -5.8412 -5.8266 -5.6023 -5.5988 -5.2369 -5.2255 -4.2478 -4.2278 -4.0045 -3.9914 -3.7332 -3.7303 -3.5508 -3.5326 -3.4250 -3.4243 -3.1572 -3.1415 -3.0018 -2.9780 -2.9151 -2.9043 -2.7025 -2.6981 -2.5959 -2.5785 -2.3476 -2.3460 -2.2579 -2.2495 7.0040 7.0041 10.0961 10.0986 10.2035 10.2057 11.0570 11.0580 11.1344 11.1356 k = 0.1705 0.2954-0.0000 ( 7635 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0877 -23.0877 -22.6728 -22.6728 -22.5569 -22.5569 -22.3646 -22.3646 -22.3489 -22.3488 -22.3434 -22.3434 -6.9881 -6.9864 -6.6487 -6.6467 -5.8755 -5.8720 -5.8441 -5.8291 -5.6060 -5.6028 -5.2614 -5.2497 -4.2472 -4.2270 -4.0015 -3.9889 -3.7511 -3.7484 -3.5575 -3.5387 -3.3940 -3.3937 -3.1437 -3.1277 -2.9986 -2.9747 -2.9043 -2.8934 -2.7122 -2.7080 -2.5747 -2.5573 -2.3465 -2.3451 -2.2639 -2.2555 6.9221 6.9222 10.1487 10.1513 10.2533 10.2556 10.9971 10.9982 11.0974 11.0985 k = 0.1628 0.2820-0.0000 ( 7625 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.0967 -23.0967 -22.6639 -22.6639 -22.5570 -22.5570 -22.3648 -22.3648 -22.3480 -22.3480 -22.3428 -22.3428 -6.9801 -6.9784 -6.6658 -6.6638 -5.8644 -5.8610 -5.8463 -5.8308 -5.6102 -5.6072 -5.2860 -5.2741 -4.2453 -4.2250 -3.9986 -3.9866 -3.7686 -3.7661 -3.5654 -3.5462 -3.3625 -3.3625 -3.1301 -3.1139 -2.9951 -2.9712 -2.8940 -2.8830 -2.7213 -2.7172 -2.5536 -2.5363 -2.3458 -2.3446 -2.2702 -2.2620 6.8426 6.8427 10.1993 10.2021 10.2966 10.2988 10.9404 10.9417 11.0661 11.0670 k = 0.1550 0.2685-0.0000 ( 7623 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -23.1054 -23.1054 -22.6553 -22.6552 -22.5572 -22.5572 -22.3650 -22.3649 -22.3472 -22.3472 -22.3422 -22.3422 -6.9721 -6.9704 -6.6825 -6.6805 -5.8544 -5.8512 -5.8474 -5.8313 -5.6147 -5.6120 -5.3108 -5.2987 -4.2421 -4.2216 -3.9960 -3.9845 -3.7857 -3.7833 -3.5747 -3.5551 -3.3310 -3.3307 -3.1163 -3.1000 -2.9913 -2.9675 -2.8841 -2.8731 -2.7297 -2.7258 -2.5329 -2.5157 -2.3453 -2.3445 -2.2768 -2.2688 6.7657 6.7657 10.2473 10.2503 10.3319 10.3340 10.8876 10.8890 11.0411 11.0419 k = 0.1473 0.2551-0.0000 ( 7623 PWs) bands (ev): -98.0643 -98.0643 -98.0641 -98.0641 -98.0641 -98.0641 -23.1139 -23.1139 -22.6469 -22.6469 -22.5575 -22.5575 -22.3651 -22.3651 -22.3462 -22.3462 -22.3416 -22.3416 -6.9641 -6.9623 -6.6986 -6.6967 -5.8506 -5.8437 -5.8423 -5.8296 -5.6195 -5.6171 -5.3356 -5.3233 -4.2376 -4.2170 -3.9935 -3.9826 -3.8022 -3.7999 -3.5852 -3.5654 -3.2996 -3.2990 -3.1024 -3.0861 -2.9872 -2.9635 -2.8746 -2.8636 -2.7374 -2.7336 -2.5127 -2.4955 -2.3450 -2.3447 -2.2837 -2.2759 6.6914 6.6915 10.2919 10.2950 10.3583 10.3603 10.8396 10.8411 11.0231 11.0236 k = 0.1395 0.2417-0.0000 ( 7625 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1220 -23.1220 -22.6388 -22.6388 -22.5578 -22.5578 -22.3653 -22.3653 -22.3453 -22.3453 -22.3410 -22.3410 -6.9561 -6.9543 -6.7142 -6.7124 -5.8507 -5.8399 -5.8334 -5.8242 -5.6244 -5.6223 -5.3603 -5.3478 -4.2318 -4.2111 -3.9912 -3.9808 -3.8181 -3.8159 -3.5970 -3.5769 -3.2683 -3.2675 -3.0885 -3.0723 -2.9828 -2.9595 -2.8655 -2.8545 -2.7444 -2.7406 -2.4932 -2.4759 -2.3451 -2.3447 -2.2908 -2.2833 6.6199 6.6200 10.3316 10.3349 10.3753 10.3770 10.7975 10.7992 11.0118 11.0121 k = 0.1318 0.2283-0.0000 ( 7631 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1298 -23.1298 -22.6311 -22.6311 -22.5581 -22.5581 -22.3655 -22.3655 -22.3443 -22.3443 -22.3404 -22.3404 -6.9481 -6.9464 -6.7293 -6.7275 -5.8506 -5.8382 -5.8247 -5.8168 -5.6293 -5.6276 -5.3847 -5.3720 -4.2248 -4.2039 -3.9890 -3.9792 -3.8333 -3.8313 -3.6101 -3.5898 -3.2376 -3.2365 -3.0748 -3.0588 -2.9783 -2.9553 -2.8566 -2.8458 -2.7507 -2.7469 -2.4747 -2.4572 -2.3456 -2.3442 -2.2980 -2.2910 6.5514 6.5514 10.3644 10.3678 10.3832 10.3846 10.7635 10.7653 11.0066 11.0066 k = 0.1240 0.2148-0.0000 ( 7629 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1372 -23.1372 -22.6237 -22.6237 -22.5585 -22.5585 -22.3657 -22.3657 -22.3434 -22.3434 -22.3397 -22.3397 -6.9403 -6.9385 -6.7437 -6.7420 -5.8499 -5.8369 -5.8167 -5.8093 -5.6342 -5.6328 -5.4088 -5.3960 -4.2165 -4.1956 -3.9869 -3.9777 -3.8479 -3.8460 -3.6243 -3.6038 -3.2075 -3.2062 -3.0611 -3.0455 -2.9735 -2.9511 -2.8481 -2.8374 -2.7562 -2.7524 -2.4575 -2.4396 -2.3461 -2.3435 -2.3054 -2.2990 6.4859 6.4860 10.3822 10.3836 10.3883 10.3915 10.7400 10.7418 11.0055 11.0058 k = 0.1163 0.2014-0.0000 ( 7645 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1442 -23.1442 -22.6167 -22.6166 -22.5589 -22.5589 -22.3659 -22.3658 -22.3424 -22.3424 -22.3391 -22.3391 -6.9326 -6.9309 -6.7575 -6.7559 -5.8487 -5.8353 -5.8094 -5.8021 -5.6388 -5.6378 -5.4325 -5.4195 -4.2071 -4.1861 -3.9850 -3.9764 -3.8618 -3.8599 -3.6396 -3.6190 -3.1784 -3.1768 -3.0477 -3.0327 -2.9685 -2.9468 -2.8400 -2.8293 -2.7609 -2.7570 -2.4419 -2.4235 -2.3463 -2.3420 -2.3126 -2.3071 6.4237 6.4237 10.3754 10.3765 10.3994 10.4026 10.7296 10.7312 11.0072 11.0077 k = 0.1085 0.1880-0.0000 ( 7641 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1509 -23.1509 -22.6100 -22.6100 -22.5593 -22.5593 -22.3660 -22.3660 -22.3414 -22.3414 -22.3385 -22.3385 -6.9251 -6.9234 -6.7707 -6.7692 -5.8469 -5.8333 -5.8029 -5.7957 -5.6432 -5.6425 -5.4556 -5.4425 -4.1964 -4.1754 -3.9832 -3.9752 -3.8748 -3.8731 -3.6559 -3.6353 -3.1504 -3.1486 -3.0346 -3.0203 -2.9632 -2.9426 -2.8321 -2.8216 -2.7649 -2.7609 -2.4285 -2.4097 -2.3459 -2.3395 -2.3195 -2.3153 6.3647 6.3647 10.3634 10.3642 10.3983 10.4011 10.7327 10.7339 11.0099 11.0105 k = 0.1008 0.1745-0.0000 ( 7633 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1572 -23.1572 -22.6038 -22.6038 -22.5598 -22.5598 -22.3662 -22.3662 -22.3404 -22.3404 -22.3379 -22.3379 -6.9179 -6.9162 -6.7831 -6.7817 -5.8444 -5.8308 -5.7972 -5.7900 -5.6472 -5.6468 -5.4782 -5.4650 -4.1847 -4.1636 -3.9815 -3.9742 -3.8871 -3.8855 -3.6732 -3.6526 -3.1237 -3.1217 -3.0218 -3.0084 -2.9578 -2.9384 -2.8245 -2.8143 -2.7682 -2.7641 -2.4176 -2.3989 -2.3449 -2.3354 -2.3250 -2.3235 6.3092 6.3092 10.3480 10.3487 10.3867 10.3891 10.7470 10.7478 11.0123 11.0130 k = 0.0930 0.1611-0.0000 ( 7647 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1630 -23.1630 -22.5980 -22.5979 -22.5602 -22.5602 -22.3663 -22.3663 -22.3395 -22.3395 -22.3373 -22.3373 -6.9109 -6.9093 -6.7947 -6.7934 -5.8414 -5.8278 -5.7924 -5.7853 -5.6507 -5.6506 -5.5001 -5.4868 -4.1719 -4.1507 -3.9800 -3.9733 -3.8986 -3.8971 -3.6914 -3.6707 -3.0987 -3.0964 -3.0092 -2.9972 -2.9522 -2.9343 -2.8173 -2.8075 -2.7707 -2.7665 -2.4097 -2.3920 -2.3452 -2.3318 -2.3295 -2.3265 6.2572 6.2573 10.3306 10.3311 10.3683 10.3702 10.7686 10.7691 11.0136 11.0143 k = 0.0853 0.1477-0.0000 ( 7643 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1685 -23.1685 -22.5925 -22.5925 -22.5607 -22.5607 -22.3665 -22.3665 -22.3386 -22.3386 -22.3368 -22.3368 -6.9043 -6.9027 -6.8056 -6.8044 -5.8378 -5.8243 -5.7884 -5.7814 -5.6539 -5.6538 -5.5212 -5.5078 -4.1580 -4.1368 -3.9786 -3.9725 -3.9092 -3.9079 -3.7103 -3.6897 -3.0756 -3.0729 -2.9970 -2.9866 -2.9464 -2.9303 -2.8104 -2.8010 -2.7725 -2.7682 -2.4046 -2.3888 -2.3489 -2.3399 -2.3220 -2.3218 6.2090 6.2090 10.3122 10.3126 10.3463 10.3479 10.7942 10.7943 11.0135 11.0142 k = 0.0775 0.1343-0.0000 ( 7655 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1735 -23.1735 -22.5876 -22.5876 -22.5611 -22.5611 -22.3666 -22.3666 -22.3378 -22.3378 -22.3362 -22.3362 -6.8980 -6.8966 -6.8157 -6.8146 -5.8336 -5.8203 -5.7852 -5.7784 -5.6565 -5.6563 -5.5415 -5.5281 -4.1432 -4.1220 -3.9773 -3.9718 -3.9190 -3.9178 -3.7300 -3.7094 -3.0546 -3.0515 -2.9851 -2.9765 -2.9405 -2.9265 -2.8040 -2.7951 -2.7736 -2.7693 -2.4018 -2.3884 -2.3545 -2.3478 -2.3135 -2.3132 6.1645 6.1645 10.2937 10.2940 10.3231 10.3244 10.8212 10.8212 11.0119 11.0126 k = 0.0698 0.1208-0.0000 ( 7663 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1780 -23.1780 -22.5831 -22.5830 -22.5615 -22.5615 -22.3667 -22.3667 -22.3370 -22.3370 -22.3357 -22.3357 -6.8922 -6.8908 -6.8249 -6.8239 -5.8289 -5.8158 -5.7827 -5.7763 -5.6584 -5.6583 -5.5608 -5.5474 -4.1275 -4.1062 -3.9761 -3.9713 -3.9279 -3.9268 -3.7502 -3.7297 -3.0359 -3.0326 -2.9733 -2.9668 -2.9346 -2.9228 -2.7980 -2.7898 -2.7740 -2.7697 -2.4008 -2.3899 -2.3604 -2.3553 -2.3039 -2.3039 6.1239 6.1239 10.2757 10.2760 10.3001 10.3011 10.8479 10.8481 11.0091 11.0097 k = 0.0620 0.1074-0.0000 ( 7673 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1821 -23.1821 -22.5790 -22.5790 -22.5619 -22.5619 -22.3668 -22.3668 -22.3362 -22.3362 -22.3353 -22.3353 -6.8868 -6.8856 -6.8332 -6.8323 -5.8237 -5.8109 -5.7810 -5.7750 -5.6598 -5.6598 -5.5791 -5.5658 -4.1109 -4.0897 -3.9750 -3.9709 -3.9358 -3.9350 -3.7709 -3.7504 -3.0199 -3.0164 -2.9618 -2.9572 -2.9289 -2.9194 -2.7925 -2.7853 -2.7736 -2.7697 -2.4009 -2.3925 -2.3659 -2.3624 -2.2947 -2.2943 6.0873 6.0873 10.2588 10.2590 10.2783 10.2791 10.8736 10.8738 11.0055 11.0060 k = 0.0543 0.0940-0.0000 ( 7675 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1858 -23.1858 -22.5754 -22.5754 -22.5623 -22.5623 -22.3670 -22.3669 -22.3356 -22.3356 -22.3348 -22.3348 -6.8820 -6.8809 -6.8406 -6.8398 -5.8180 -5.8057 -5.7798 -5.7744 -5.6609 -5.6607 -5.5962 -5.5830 -4.0936 -4.0723 -3.9741 -3.9706 -3.9429 -3.9422 -3.7919 -3.7716 -3.0066 -3.0030 -2.9505 -2.9478 -2.9234 -2.9162 -2.7875 -2.7816 -2.7724 -2.7692 -2.4019 -2.3957 -2.3710 -2.3689 -2.2859 -2.2853 6.0548 6.0548 10.2432 10.2433 10.2582 10.2589 10.8974 10.8977 11.0013 11.0018 k = 0.0465 0.0806-0.0000 ( 7687 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1889 -23.1889 -22.5723 -22.5723 -22.5626 -22.5626 -22.3670 -22.3670 -22.3350 -22.3350 -22.3344 -22.3344 -6.8777 -6.8767 -6.8471 -6.8464 -5.8120 -5.8003 -5.7790 -5.7743 -5.6618 -5.6612 -5.6120 -5.5991 -4.0755 -4.0544 -3.9733 -3.9704 -3.9489 -3.9485 -3.8132 -3.7930 -2.9957 -2.9924 -2.9399 -2.9386 -2.9184 -2.9132 -2.7832 -2.7788 -2.7707 -2.7684 -2.4034 -2.3992 -2.3755 -2.3746 -2.2778 -2.2771 6.0264 6.0264 10.2292 10.2293 10.2403 10.2409 10.9188 10.9191 10.9970 10.9974 k = 0.0388 0.0671-0.0000 ( 7687 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1916 -23.1916 -22.5696 -22.5696 -22.5629 -22.5629 -22.3671 -22.3671 -22.3345 -22.3345 -22.3341 -22.3341 -6.8740 -6.8731 -6.8525 -6.8520 -5.8057 -5.7949 -5.7786 -5.7745 -5.6625 -5.6615 -5.6260 -5.6136 -4.0570 -4.0359 -3.9726 -3.9703 -3.9539 -3.9538 -3.8345 -3.8146 -2.9871 -2.9844 -2.9303 -2.9300 -2.9137 -2.9103 -2.7794 -2.7766 -2.7686 -2.7674 -2.4052 -2.4026 -2.3795 -2.3794 -2.2707 -2.2699 6.0023 6.0023 10.2171 10.2172 10.2249 10.2253 10.9374 10.9377 10.9928 10.9931 k = 0.0310 0.0537-0.0000 ( 7689 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1938 -23.1938 -22.5674 -22.5674 -22.5631 -22.5631 -22.3672 -22.3672 -22.3341 -22.3341 -22.3338 -22.3338 -6.8709 -6.8702 -6.8571 -6.8566 -5.7994 -5.7898 -5.7783 -5.7750 -5.6633 -5.6618 -5.6380 -5.6264 -4.0380 -4.0170 -3.9721 -3.9704 -3.9582 -3.9579 -3.8556 -3.8361 -2.9805 -2.9784 -2.9227 -2.9222 -2.9095 -2.9076 -2.7764 -2.7748 -2.7666 -2.7663 -2.4071 -2.4057 -2.3833 -2.3826 -2.2647 -2.2640 5.9825 5.9825 10.2070 10.2071 10.2121 10.2124 10.9530 10.9533 10.9891 10.9893 k = 0.0233 0.0403-0.0000 ( 7691 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1956 -23.1956 -22.5657 -22.5657 -22.5633 -22.5633 -22.3672 -22.3672 -22.3337 -22.3337 -22.3336 -22.3336 -6.8684 -6.8679 -6.8606 -6.8602 -5.7934 -5.7854 -5.7782 -5.7756 -5.6643 -5.6627 -5.6470 -5.6370 -4.0189 -3.9983 -3.9718 -3.9707 -3.9617 -3.9608 -3.8760 -3.8573 -2.9757 -2.9741 -2.9171 -2.9162 -2.9057 -2.9049 -2.7741 -2.7734 -2.7652 -2.7650 -2.4090 -2.4084 -2.3862 -2.3853 -2.2599 -2.2593 5.9670 5.9670 10.1989 10.1990 10.2021 10.2023 10.9653 10.9655 10.9860 10.9862 k = 0.0155 0.0269-0.0000 ( 7695 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1968 -23.1968 -22.5645 -22.5645 -22.5634 -22.5634 -22.3673 -22.3673 -22.3335 -22.3335 -22.3334 -22.3334 -6.8666 -6.8662 -6.8631 -6.8629 -5.7880 -5.7822 -5.7780 -5.7763 -5.6657 -5.6647 -5.6520 -5.6449 -4.0002 -3.9805 -3.9717 -3.9710 -3.9644 -3.9624 -3.8946 -3.8778 -2.9723 -2.9713 -2.9133 -2.9125 -2.9024 -2.9022 -2.7725 -2.7723 -2.7643 -2.7639 -2.4105 -2.4103 -2.3881 -2.3873 -2.2563 -2.2560 5.9559 5.9559 10.1930 10.1931 10.1950 10.1951 10.9742 10.9743 10.9838 10.9839 k = 0.0078 0.0134-0.0000 ( 7691 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1975 -23.1975 -22.5638 -22.5638 -22.5635 -22.5635 -22.3673 -22.3673 -22.3334 -22.3334 -22.3333 -22.3333 -6.8655 -6.8653 -6.8645 -6.8644 -5.7838 -5.7807 -5.7777 -5.7769 -5.6673 -5.6672 -5.6534 -5.6499 -3.9833 -3.9717 -3.9714 -3.9676 -3.9658 -3.9625 -3.9082 -3.8963 -2.9702 -2.9697 -2.9111 -2.9107 -2.9002 -2.9002 -2.7716 -2.7715 -2.7636 -2.7633 -2.4116 -2.4115 -2.3891 -2.3886 -2.2542 -2.2540 5.9492 5.9492 10.1893 10.1894 10.1909 10.1909 10.9791 10.9791 10.9828 10.9830 k = 0.0000 0.0000 0.0000 ( 7695 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1978 -23.1978 -22.5635 -22.5635 -22.5635 -22.5635 -22.3673 -22.3673 -22.3333 -22.3333 -22.3333 -22.3333 -6.8652 -6.8652 -6.8648 -6.8648 -5.7813 -5.7813 -5.7774 -5.7774 -5.6681 -5.6681 -5.6526 -5.6526 -3.9718 -3.9718 -3.9716 -3.9716 -3.9617 -3.9617 -3.9090 -3.9090 -2.9694 -2.9694 -2.9103 -2.9103 -2.8994 -2.8994 -2.7713 -2.7713 -2.7632 -2.7632 -2.4119 -2.4119 -2.3892 -2.3892 -2.2534 -2.2534 5.9470 5.9470 10.1880 10.1880 10.1896 10.1896 10.9801 10.9801 10.9832 10.9832 k = 0.0000 0.0000 0.0000 ( 7695 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1978 -23.1978 -22.5635 -22.5635 -22.5635 -22.5635 -22.3673 -22.3673 -22.3333 -22.3333 -22.3333 -22.3333 -6.8652 -6.8652 -6.8648 -6.8648 -5.7813 -5.7813 -5.7774 -5.7774 -5.6681 -5.6681 -5.6526 -5.6526 -3.9718 -3.9718 -3.9716 -3.9716 -3.9617 -3.9617 -3.9090 -3.9090 -2.9694 -2.9694 -2.9103 -2.9103 -2.8994 -2.8994 -2.7713 -2.7713 -2.7632 -2.7632 -2.4119 -2.4119 -2.3892 -2.3892 -2.2534 -2.2534 5.9470 5.9470 10.1880 10.1880 10.1896 10.1896 10.9801 10.9801 10.9832 10.9832 k = 0.0000 0.0000 0.0152 ( 7689 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1975 -23.1975 -22.5769 -22.5769 -22.5504 -22.5504 -22.3673 -22.3673 -22.3337 -22.3337 -22.3329 -22.3329 -6.8950 -6.8946 -6.8351 -6.8346 -5.7819 -5.7813 -5.7785 -5.7775 -5.6932 -5.6773 -5.6425 -5.6272 -3.9781 -3.9713 -3.9711 -3.9680 -3.9648 -3.9548 -3.9089 -3.9070 -2.9704 -2.9697 -2.9113 -2.9107 -2.9005 -2.8992 -2.7935 -2.7853 -2.7495 -2.7415 -2.4290 -2.4062 -2.3952 -2.3726 -2.2536 -2.2529 5.9492 5.9492 10.1247 10.1262 10.2491 10.2507 10.9756 10.9786 10.9878 10.9909 k = 0.0000 0.0000 0.0304 ( 7701 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1968 -23.1968 -22.5904 -22.5904 -22.5376 -22.5376 -22.3672 -22.3672 -22.3342 -22.3342 -22.3325 -22.3325 -6.9243 -6.9239 -6.8046 -6.8041 -5.7831 -5.7819 -5.7809 -5.7789 -5.7176 -5.7012 -5.6164 -5.6014 -3.9836 -3.9736 -3.9701 -3.9698 -3.9572 -3.9472 -3.9066 -3.9028 -2.9727 -2.9714 -2.9137 -2.9125 -2.9024 -2.8999 -2.8162 -2.8079 -2.7281 -2.7203 -2.4463 -2.4233 -2.3788 -2.3563 -2.2537 -2.2523 5.9557 5.9557 10.0591 10.0604 10.3078 10.3094 10.9742 10.9772 10.9986 11.0016 k = 0.0000 0.0000 0.0455 ( 7689 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1955 -23.1955 -22.6042 -22.6042 -22.5251 -22.5251 -22.3671 -22.3671 -22.3347 -22.3347 -22.3321 -22.3321 -6.9531 -6.9527 -6.7738 -6.7732 -5.7851 -5.7844 -5.7831 -5.7815 -5.7413 -5.7243 -5.5898 -5.5750 -3.9883 -3.9784 -3.9681 -3.9677 -3.9488 -3.9392 -3.9021 -3.8965 -2.9765 -2.9746 -2.9175 -2.9156 -2.9051 -2.9015 -2.8393 -2.8308 -2.7073 -2.6996 -2.4637 -2.4406 -2.3629 -2.3406 -2.2535 -2.2515 5.9664 5.9664 9.9912 9.9924 10.3642 10.3659 10.9760 10.9790 11.0125 11.0155 k = 0.0000 0.0000 0.0607 ( 7695 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1938 -23.1938 -22.6182 -22.6182 -22.5128 -22.5128 -22.3670 -22.3670 -22.3352 -22.3352 -22.3317 -22.3317 -6.9812 -6.9809 -6.7427 -6.7422 -5.7892 -5.7883 -5.7854 -5.7848 -5.7644 -5.7461 -5.5628 -5.5482 -3.9922 -3.9824 -3.9654 -3.9647 -3.9400 -3.9307 -3.8955 -3.8882 -2.9816 -2.9793 -2.9226 -2.9200 -2.9086 -2.9041 -2.8627 -2.8541 -2.6870 -2.6795 -2.4810 -2.4579 -2.3476 -2.3254 -2.2532 -2.2505 5.9815 5.9815 9.9210 9.9222 10.4184 10.4202 10.9811 10.9840 11.0293 11.0324 k = 0.0000 0.0000 0.0759 ( 7689 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1916 -23.1916 -22.6324 -22.6323 -22.5009 -22.5009 -22.3668 -22.3668 -22.3357 -22.3357 -22.3314 -22.3314 -7.0088 -7.0085 -6.7116 -6.7109 -5.7951 -5.7935 -5.7903 -5.7871 -5.7866 -5.7656 -5.5355 -5.5211 -3.9952 -3.9855 -3.9618 -3.9610 -3.9306 -3.9218 -3.8867 -3.8780 -2.9881 -2.9857 -2.9288 -2.9255 -2.9129 -2.9077 -2.8864 -2.8777 -2.6672 -2.6599 -2.4982 -2.4751 -2.3328 -2.3108 -2.2526 -2.2493 6.0008 6.0008 9.8485 9.8497 10.4703 10.4721 10.9893 10.9922 11.0492 11.0522 k = 0.0000 0.0000 0.0911 ( 7671 PWs) bands (ev): -98.0644 -98.0644 -98.0641 -98.0641 -98.0641 -98.0641 -23.1888 -23.1888 -22.6467 -22.6466 -22.4893 -22.4893 -22.3666 -22.3666 -22.3362 -22.3362 -22.3310 -22.3310 -7.0357 -7.0354 -6.6802 -6.6796 -5.8081 -5.8034 -5.8020 -5.7964 -5.7900 -5.7802 -5.5079 -5.4938 -3.9972 -3.9877 -3.9574 -3.9565 -3.9208 -3.9126 -3.8759 -3.8657 -2.9961 -2.9937 -2.9360 -2.9321 -2.9179 -2.9124 -2.9103 -2.9016 -2.6481 -2.6410 -2.5151 -2.4920 -2.3188 -2.2969 -2.2519 -2.2479 6.0243 6.0243 9.7739 9.7750 10.5200 10.5219 11.0008 11.0037 11.0720 11.0750 k = 0.0000 0.0000 0.1063 ( 7653 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0641 -98.0641 -23.1856 -23.1856 -22.6611 -22.6611 -22.4780 -22.4780 -22.3663 -22.3663 -22.3367 -22.3367 -22.3307 -22.3307 -7.0618 -7.0616 -6.6489 -6.6482 -5.8287 -5.8190 -5.8099 -5.8034 -5.7934 -5.7887 -5.4801 -5.4662 -3.9983 -3.9889 -3.9522 -3.9512 -3.9108 -3.9031 -3.8632 -3.8516 -3.0058 -3.0034 -2.9442 -2.9397 -2.9346 -2.9258 -2.9237 -2.9182 -2.6295 -2.6226 -2.5315 -2.5086 -2.3055 -2.2836 -2.2510 -2.2463 6.0519 6.0519 9.6971 9.6981 10.5676 10.5695 11.0155 11.0184 11.0977 11.1006 k = 0.0000 0.0000 0.1214 ( 7653 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0641 -98.0641 -23.1819 -23.1819 -22.6757 -22.6757 -22.4671 -22.4671 -22.3661 -22.3661 -22.3373 -22.3373 -22.3304 -22.3304 -7.0872 -7.0869 -6.6176 -6.6168 -5.8485 -5.8368 -5.8186 -5.8113 -5.7974 -5.7948 -5.4523 -5.4386 -3.9984 -3.9891 -3.9463 -3.9452 -3.9006 -3.8934 -3.8486 -3.8357 -3.0171 -3.0150 -2.9590 -2.9530 -2.9501 -2.9481 -2.9303 -2.9251 -2.6116 -2.6050 -2.5474 -2.5248 -2.2929 -2.2712 -2.2499 -2.2446 6.0836 6.0836 9.6183 9.6192 10.6129 10.6149 11.0335 11.0363 11.1262 11.1291 k = 0.0000 0.0000 0.1366 ( 7653 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0641 -98.0641 -23.1777 -23.1777 -22.6904 -22.6903 -22.4566 -22.4566 -22.3657 -22.3657 -22.3379 -22.3379 -22.3301 -22.3301 -7.1117 -7.1115 -6.5864 -6.5856 -5.8673 -5.8548 -5.8281 -5.8201 -5.8020 -5.8003 -5.4244 -5.4110 -3.9975 -3.9883 -3.9397 -3.9384 -3.8903 -3.8836 -3.8323 -3.8181 -3.0301 -3.0283 -2.9835 -2.9746 -2.9626 -2.9573 -2.9377 -2.9332 -2.5944 -2.5879 -2.5625 -2.5403 -2.2811 -2.2595 -2.2486 -2.2427 6.1193 6.1193 9.5374 9.5382 10.6562 10.6582 11.0547 11.0574 11.1574 11.1603 k = 0.0000 0.0000 0.1518 ( 7677 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0641 -98.0641 -23.1731 -23.1731 -22.7051 -22.7051 -22.4464 -22.4464 -22.3654 -22.3654 -22.3385 -22.3385 -22.3299 -22.3299 -7.1355 -7.1353 -6.5553 -6.5544 -5.8853 -5.8722 -5.8382 -5.8295 -5.8071 -5.8061 -5.3966 -5.3835 -3.9955 -3.9863 -3.9323 -3.9310 -3.8800 -3.8738 -3.8144 -3.7989 -3.0449 -3.0433 -3.0082 -2.9991 -2.9727 -2.9674 -2.9459 -2.9424 -2.5778 -2.5768 -2.5716 -2.5552 -2.2702 -2.2486 -2.2472 -2.2406 6.1589 6.1589 9.4546 9.4554 10.6974 10.6994 11.0791 11.0818 11.1913 11.1942 k = 0.0000 0.0000 0.1670 ( 7677 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0641 -98.0641 -23.1679 -23.1679 -22.7200 -22.7200 -22.4367 -22.4367 -22.3650 -22.3650 -22.3391 -22.3391 -22.3296 -22.3296 -7.1583 -7.1581 -6.5245 -6.5235 -5.9023 -5.8888 -5.8489 -5.8395 -5.8128 -5.8122 -5.3689 -5.3562 -3.9924 -3.9833 -3.9243 -3.9229 -3.8698 -3.8639 -3.7951 -3.7783 -3.0611 -3.0599 -3.0329 -3.0238 -2.9834 -2.9781 -2.9549 -2.9528 -2.5902 -2.5693 -2.5620 -2.5560 -2.2600 -2.2456 -2.2385 -2.2384 6.2023 6.2023 9.3700 9.3707 10.7365 10.7385 11.1067 11.1093 11.2279 11.2307 k = 0.0000 0.0000 0.1822 ( 7677 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0641 -98.0641 -23.1623 -23.1623 -22.7349 -22.7348 -22.4274 -22.4274 -22.3646 -22.3646 -22.3397 -22.3397 -22.3294 -22.3294 -7.1801 -7.1799 -6.4939 -6.4929 -5.9183 -5.9046 -5.8600 -5.8500 -5.8190 -5.8188 -5.3415 -5.3291 -3.9881 -3.9791 -3.9156 -3.9142 -3.8596 -3.8541 -3.7744 -3.7563 -3.0789 -3.0779 -3.0576 -3.0484 -2.9946 -2.9896 -2.9646 -2.9642 -2.6026 -2.5826 -2.5468 -2.5411 -2.2507 -2.2439 -2.2360 -2.2293 6.2494 6.2494 9.2837 9.2844 10.7736 10.7756 11.1375 11.1400 11.2669 11.2697 k = 0.0000 0.0000 0.1973 ( 7665 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0641 -98.0641 -23.1562 -23.1562 -22.7498 -22.7498 -22.4185 -22.4185 -22.3641 -22.3641 -22.3404 -22.3404 -22.3292 -22.3291 -7.2010 -7.2008 -6.4636 -6.4626 -5.9332 -5.9194 -5.8714 -5.8608 -5.8259 -5.8258 -5.3145 -5.3024 -3.9828 -3.9738 -3.9064 -3.9049 -3.8495 -3.8445 -3.7526 -3.7332 -3.0980 -3.0972 -3.0822 -3.0730 -3.0064 -3.0018 -2.9766 -2.9752 -2.6140 -2.5950 -2.5324 -2.5269 -2.2422 -2.2420 -2.2335 -2.2208 6.3001 6.3002 9.1958 9.1964 10.8087 10.8106 11.1714 11.1738 11.3084 11.3111 k = 0.0000 0.0000 0.2125 ( 7665 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0641 -98.0641 -23.1497 -23.1497 -22.7647 -22.7647 -22.4100 -22.4100 -22.3636 -22.3636 -22.3410 -22.3410 -22.3289 -22.3289 -7.2209 -7.2207 -6.4338 -6.4326 -5.9472 -5.9333 -5.8830 -5.8719 -5.8335 -5.8333 -5.2880 -5.2763 -3.9762 -3.9674 -3.8965 -3.8951 -3.8397 -3.8350 -3.7297 -3.7091 -3.1182 -3.1177 -3.1068 -3.0975 -3.0188 -3.0145 -2.9899 -2.9865 -2.6244 -2.6064 -2.5187 -2.5135 -2.2399 -2.2345 -2.2308 -2.2132 6.3544 6.3544 9.1064 9.1069 10.8418 10.8437 11.2084 11.2107 11.3521 11.3548 k = 0.0000 0.0000 0.2277 ( 7653 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0640 -98.0640 -23.1428 -23.1427 -22.7796 -22.7796 -22.4020 -22.4020 -22.3631 -22.3631 -22.3417 -22.3417 -22.3287 -22.3287 -7.2397 -7.2396 -6.4043 -6.4031 -5.9601 -5.9461 -5.8947 -5.8832 -5.8416 -5.8412 -5.2620 -5.2508 -3.9686 -3.9598 -3.8862 -3.8848 -3.8302 -3.8257 -3.7059 -3.6841 -3.1394 -3.1391 -3.1312 -3.1218 -3.0318 -3.0276 -3.0039 -2.9987 -2.6338 -2.6170 -2.5058 -2.5009 -2.2378 -2.2280 -2.2276 -2.2064 6.4120 6.4120 9.0156 9.0161 10.8729 10.8748 11.2484 11.2507 11.3981 11.4007 k = 0.0000 0.0000 0.2429 ( 7665 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0640 -98.0640 -23.1354 -23.1353 -22.7945 -22.7945 -22.3945 -22.3945 -22.3626 -22.3626 -22.3424 -22.3424 -22.3286 -22.3286 -7.2575 -7.2573 -6.3754 -6.3741 -5.9720 -5.9580 -5.9065 -5.8945 -5.8503 -5.8498 -5.2368 -5.2260 -3.9599 -3.9512 -3.8755 -3.8741 -3.8210 -3.8168 -3.6813 -3.6583 -3.1614 -3.1612 -3.1553 -3.1459 -3.0456 -3.0411 -3.0185 -3.0118 -2.6421 -2.6266 -2.4937 -2.4891 -2.2355 -2.2252 -2.2215 -2.2004 6.4729 6.4729 8.9236 8.9241 10.9021 10.9040 11.2914 11.2935 11.4460 11.4486 k = 0.0000 0.0000 0.2581 ( 7641 PWs) bands (ev): -98.0644 -98.0644 -98.0642 -98.0642 -98.0640 -98.0640 -23.1275 -23.1275 -22.8094 -22.8094 -22.3874 -22.3874 -22.3620 -22.3620 -22.3431 -22.3431 -22.3284 -22.3284 -7.2741 -7.2740 -6.3470 -6.3456 -5.9828 -5.9687 -5.9181 -5.9057 -5.8596 -5.8590 -5.2124 -5.2021 -3.9500 -3.9414 -3.8644 -3.8631 -3.8121 -3.8082 -3.6560 -3.6318 -3.1840 -3.1839 -3.1791 -3.1697 -3.0599 -3.0548 -3.0334 -3.0257 -2.6496 -2.6353 -2.4823 -2.4780 -2.2331 -2.2222 -2.2162 -2.1952 6.5369 6.5369 8.8306 8.8310 10.9294 10.9312 11.3373 11.3392 11.4958 11.4983 k = 0.0000 0.0000 0.2732 ( 7629 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0640 -98.0640 -23.1193 -23.1192 -22.8242 -22.8241 -22.3808 -22.3808 -22.3614 -22.3614 -22.3438 -22.3438 -22.3282 -22.3282 -7.2896 -7.2895 -6.3192 -6.3177 -5.9926 -5.9785 -5.9296 -5.9168 -5.8695 -5.8688 -5.1890 -5.1793 -3.9392 -3.9306 -3.8532 -3.8520 -3.8036 -3.8001 -3.6302 -3.6049 -3.2070 -3.2069 -3.2025 -3.1930 -3.0750 -3.0684 -3.0484 -3.0404 -2.6561 -2.6431 -2.4717 -2.4677 -2.2307 -2.2191 -2.2116 -2.1907 6.6039 6.6040 8.7366 8.7369 10.9547 10.9564 11.3859 11.3877 11.5472 11.5497 k = 0.0000 0.0000 0.2884 ( 7623 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0640 -98.0640 -23.1106 -23.1106 -22.8389 -22.8389 -22.3747 -22.3747 -22.3608 -22.3608 -22.3445 -22.3445 -22.3281 -22.3281 -7.3040 -7.3039 -6.2920 -6.2905 -6.0012 -5.9871 -5.9408 -5.9277 -5.8800 -5.8792 -5.1667 -5.1576 -3.9274 -3.9189 -3.8418 -3.8408 -3.7957 -3.7924 -3.6040 -3.5777 -3.2302 -3.2299 -3.2255 -3.2159 -3.0909 -3.0819 -3.0633 -3.0560 -2.6619 -2.6501 -2.4620 -2.4583 -2.2281 -2.2160 -2.2077 -2.1870 6.6738 6.6739 8.6418 8.6421 10.9780 10.9797 11.4372 11.4389 11.6000 11.6023 k = 0.0000 0.0000 0.3036 ( 7635 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0640 -98.0640 -23.1015 -23.1015 -22.8535 -22.8535 -22.3692 -22.3691 -22.3602 -22.3602 -22.3453 -22.3453 -22.3280 -22.3280 -7.3172 -7.3171 -6.2656 -6.2639 -6.0088 -5.9948 -5.9516 -5.9382 -5.8911 -5.8903 -5.1457 -5.1372 -3.9147 -3.9063 -3.8305 -3.8298 -3.7882 -3.7852 -3.5775 -3.5501 -3.2533 -3.2527 -3.2478 -3.2381 -3.1075 -3.0949 -3.0779 -3.0724 -2.6669 -2.6564 -2.4531 -2.4497 -2.2256 -2.2129 -2.2045 -2.1840 6.7465 6.7465 8.5463 8.5467 10.9995 11.0010 11.4909 11.4925 11.6537 11.6560 k = 0.0000 0.0000 0.3188 ( 7641 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0640 -98.0640 -23.0920 -23.0920 -22.8680 -22.8680 -22.3641 -22.3641 -22.3595 -22.3595 -22.3460 -22.3460 -22.3279 -22.3279 -7.3292 -7.3291 -6.2398 -6.2380 -6.0153 -6.0013 -5.9621 -5.9483 -5.9028 -5.9020 -5.1261 -5.1183 -3.9013 -3.8930 -3.8194 -3.8190 -3.7813 -3.7786 -3.5509 -3.5225 -3.2759 -3.2750 -3.2693 -3.2596 -3.1249 -3.1074 -3.0920 -3.0897 -2.6712 -2.6619 -2.4449 -2.4419 -2.2230 -2.2097 -2.2020 -2.1816 6.8217 6.8218 8.4504 8.4507 11.0189 11.0203 11.5471 11.5484 11.7081 11.7103 k = 0.0000 0.0000 0.3340 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0640 -98.0640 -23.0822 -23.0822 -22.8824 -22.8824 -22.3595 -22.3595 -22.3588 -22.3588 -22.3468 -22.3468 -22.3278 -22.3278 -7.3400 -7.3399 -6.2147 -6.2128 -6.0207 -6.0068 -5.9720 -5.9579 -5.9151 -5.9144 -5.1079 -5.1009 -3.8873 -3.8791 -3.8088 -3.8088 -3.7750 -3.7726 -3.5242 -3.4947 -3.2977 -3.2965 -3.2900 -3.2801 -3.1430 -3.1191 -3.1078 -3.1053 -2.6749 -2.6667 -2.4376 -2.4349 -2.2203 -2.2065 -2.2001 -2.1799 6.8994 6.8995 8.3542 8.3545 11.0364 11.0377 11.6054 11.6065 11.7625 11.7645 k = 0.0000 0.0000 0.3491 ( 7612 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -23.0719 -23.0719 -22.8967 -22.8966 -22.3581 -22.3581 -22.3555 -22.3555 -22.3475 -22.3475 -22.3277 -22.3277 -7.3495 -7.3495 -6.1904 -6.1883 -6.0250 -6.0113 -5.9813 -5.9670 -5.9280 -5.9275 -5.0915 -5.0852 -3.8729 -3.8648 -3.7994 -3.7989 -3.7693 -3.7672 -3.4976 -3.4671 -3.3183 -3.3168 -3.3096 -3.2995 -3.1619 -3.1299 -3.1268 -3.1177 -2.6779 -2.6709 -2.4311 -2.4288 -2.2177 -2.2033 -2.1987 -2.1787 6.9794 6.9795 8.2578 8.2580 11.0519 11.0530 11.6656 11.6666 11.8162 11.8181 k = 0.0000 0.0000 0.3643 ( 7606 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -23.0613 -23.0613 -22.9107 -22.9107 -22.3574 -22.3574 -22.3519 -22.3519 -22.3483 -22.3483 -22.3276 -22.3276 -7.3578 -7.3578 -6.1668 -6.1647 -6.0283 -6.0148 -5.9900 -5.9754 -5.9416 -5.9412 -5.0769 -5.0714 -3.8583 -3.8504 -3.7912 -3.7901 -3.7643 -3.7625 -3.4713 -3.4396 -3.3374 -3.3354 -3.3279 -3.3176 -3.1816 -3.1466 -3.1395 -3.1290 -2.6805 -2.6746 -2.4255 -2.4235 -2.2151 -2.2002 -2.1979 -2.1781 7.0616 7.0616 8.1614 8.1616 11.0653 11.0663 11.7275 11.7282 11.8683 11.8700 k = 0.0000 0.0000 0.3795 ( 7606 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -23.0504 -23.0504 -22.9246 -22.9246 -22.3567 -22.3567 -22.3491 -22.3491 -22.3490 -22.3490 -22.3275 -22.3275 -7.3649 -7.3649 -6.1441 -6.1418 -6.0305 -6.0173 -5.9980 -5.9832 -5.9558 -5.9557 -5.0642 -5.0596 -3.8438 -3.8361 -3.7845 -3.7828 -3.7600 -3.7584 -3.4453 -3.4123 -3.3544 -3.3518 -3.3447 -3.3339 -3.2020 -3.1673 -3.1478 -3.1390 -2.6825 -2.6776 -2.4207 -2.4190 -2.2126 -2.1976 -2.1972 -2.1781 7.1458 7.1458 8.0651 8.0653 11.0768 11.0776 11.7908 11.7912 11.9175 11.9191 k = 0.0000 0.0000 0.3947 ( 7594 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -23.0391 -23.0391 -22.9383 -22.9383 -22.3560 -22.3560 -22.3498 -22.3498 -22.3465 -22.3465 -22.3275 -22.3275 -7.3707 -7.3706 -6.1221 -6.1196 -6.0316 -6.0190 -6.0053 -5.9901 -5.9709 -5.9704 -5.0536 -5.0498 -3.8297 -3.8223 -3.7798 -3.7773 -3.7564 -3.7551 -3.4202 -3.3853 -3.3688 -3.3657 -3.3595 -3.3477 -3.2230 -3.1887 -3.1546 -3.1476 -2.6840 -2.6802 -2.4167 -2.4153 -2.2102 -2.1977 -2.1942 -2.1785 7.2318 7.2319 7.9692 7.9694 11.0862 11.0869 11.8549 11.8551 11.9624 11.9637 k = 0.0000 0.0000 0.4099 ( 7594 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -23.0275 -23.0275 -22.9518 -22.9518 -22.3552 -22.3552 -22.3506 -22.3506 -22.3446 -22.3446 -22.3274 -22.3274 -7.3752 -7.3752 -6.1011 -6.0983 -6.0317 -6.0203 -6.0117 -5.9962 -5.9868 -5.9852 -5.0451 -5.0423 -3.8164 -3.8094 -3.7773 -3.7741 -3.7535 -3.7526 -3.3976 -3.3801 -3.3765 -3.3721 -3.3588 -3.3573 -3.2448 -3.2110 -3.1598 -3.1546 -2.6851 -2.6822 -2.4136 -2.4126 -2.2079 -2.1982 -2.1914 -2.1794 7.3196 7.3197 7.8737 7.8739 11.0936 11.0941 11.9195 11.9196 12.0009 12.0020 k = 0.0000 0.0000 0.4250 ( 7570 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -23.0156 -23.0156 -22.9651 -22.9651 -22.3545 -22.3545 -22.3514 -22.3514 -22.3432 -22.3432 -22.3274 -22.3274 -7.3784 -7.3784 -6.0809 -6.0777 -6.0308 -6.0224 -6.0173 -6.0034 -6.0014 -5.9988 -5.0388 -5.0369 -3.8044 -3.7977 -3.7775 -3.7734 -3.7514 -3.7508 -3.3880 -3.3851 -3.3839 -3.3821 -3.3545 -3.3326 -3.2672 -3.2339 -3.1634 -3.1599 -2.6857 -2.6838 -2.4113 -2.4106 -2.2056 -2.1991 -2.1888 -2.1806 7.4089 7.4090 7.7789 7.7790 11.0988 11.0992 11.9837 11.9842 12.0309 12.0316 k = 0.0000 0.0000 0.4402 ( 7558 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -23.0034 -23.0034 -22.9781 -22.9781 -22.3537 -22.3537 -22.3522 -22.3522 -22.3424 -22.3424 -22.3274 -22.3274 -7.3803 -7.3803 -6.0618 -6.0580 -6.0297 -6.0288 -6.0221 -6.0208 -6.0070 -6.0054 -5.0349 -5.0339 -3.7941 -3.7880 -3.7804 -3.7755 -3.7501 -3.7498 -3.3921 -3.3890 -3.3878 -3.3860 -3.3359 -3.3070 -3.2900 -3.2576 -3.1652 -3.1635 -2.6859 -2.6849 -2.4098 -2.4095 -2.2036 -2.2004 -2.1863 -2.1822 7.4997 7.4998 7.6848 7.6850 11.1021 11.1022 12.0473 12.0481 12.0501 12.0505 k = 0.0000 0.0000 0.4554 ( 7576 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9909 -22.9909 -22.9909 -22.9909 -22.3529 -22.3529 -22.3529 -22.3529 -22.3422 -22.3422 -22.3274 -22.3274 -7.3810 -7.3810 -6.0442 -6.0442 -6.0390 -6.0390 -6.0259 -6.0259 -6.0079 -6.0079 -5.0332 -5.0332 -3.7860 -3.7860 -3.7805 -3.7805 -3.7495 -3.7495 -3.3924 -3.3924 -3.3882 -3.3882 -3.3132 -3.3132 -3.2820 -3.2820 -3.1652 -3.1652 -2.6856 -2.6856 -2.4093 -2.4093 -2.2019 -2.2019 -2.1841 -2.1841 7.5917 7.5917 7.5918 7.5918 11.1032 11.1032 12.0568 12.0568 12.1092 12.1092 k = 0.0000 0.0000 0.4554 ( 7576 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9909 -22.9909 -22.9909 -22.9909 -22.3529 -22.3529 -22.3529 -22.3529 -22.3422 -22.3422 -22.3274 -22.3274 -7.3810 -7.3810 -6.0442 -6.0442 -6.0390 -6.0390 -6.0259 -6.0259 -6.0079 -6.0079 -5.0332 -5.0332 -3.7860 -3.7860 -3.7805 -3.7805 -3.7495 -3.7495 -3.3924 -3.3924 -3.3882 -3.3882 -3.3132 -3.3132 -3.2820 -3.2820 -3.1652 -3.1652 -2.6856 -2.6856 -2.4093 -2.4093 -2.2019 -2.2019 -2.1841 -2.1841 7.5917 7.5917 7.5918 7.5918 11.1032 11.1032 12.0568 12.0568 12.1092 12.1092 k = 0.0132 0.0076 0.4554 ( 7572 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9908 -22.9908 -22.9907 -22.9907 -22.3532 -22.3532 -22.3530 -22.3530 -22.3422 -22.3422 -22.3274 -22.3274 -7.3804 -7.3804 -6.0525 -6.0523 -6.0439 -6.0432 -6.0188 -6.0186 -6.0018 -6.0017 -5.0343 -5.0331 -3.7869 -3.7869 -3.7814 -3.7813 -3.7493 -3.7493 -3.3981 -3.3964 -3.3891 -3.3879 -3.3108 -3.3106 -3.2793 -3.2789 -3.1657 -3.1626 -2.6861 -2.6853 -2.4105 -2.4085 -2.2031 -2.2013 -2.1845 -2.1845 7.5933 7.5933 7.5935 7.5935 11.1048 11.1048 12.0558 12.0559 12.1077 12.1078 k = 0.0263 0.0152 0.4554 ( 7578 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9907 -22.9907 -22.9900 -22.9900 -22.3540 -22.3540 -22.3530 -22.3530 -22.3422 -22.3422 -22.3275 -22.3275 -7.3785 -7.3785 -6.0656 -6.0646 -6.0556 -6.0538 -6.0060 -6.0052 -5.9898 -5.9893 -5.0362 -5.0338 -3.7898 -3.7897 -3.7842 -3.7841 -3.7486 -3.7486 -3.4077 -3.4059 -3.3943 -3.3910 -3.3045 -3.3030 -3.2720 -3.2705 -3.1639 -3.1576 -2.6867 -2.6850 -2.4122 -2.4082 -2.2051 -2.2015 -2.1855 -2.1855 7.5982 7.5982 7.5985 7.5986 11.1096 11.1097 12.0518 12.0521 12.1028 12.1032 k = 0.0395 0.0228 0.4554 ( 7582 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9904 -22.9904 -22.9888 -22.9888 -22.3553 -22.3553 -22.3531 -22.3531 -22.3422 -22.3422 -22.3277 -22.3277 -7.3755 -7.3755 -6.0793 -6.0770 -6.0689 -6.0655 -5.9924 -5.9904 -5.9762 -5.9748 -5.0391 -5.0354 -3.7946 -3.7943 -3.7888 -3.7887 -3.7474 -3.7473 -3.4188 -3.4175 -3.4028 -3.3975 -3.2963 -3.2917 -3.2623 -3.2586 -3.1595 -3.1505 -2.6875 -2.6849 -2.4144 -2.4085 -2.2077 -2.2023 -2.1872 -2.1871 7.6061 7.6062 7.6070 7.6070 11.1176 11.1177 12.0426 12.0430 12.0942 12.0949 k = 0.0526 0.0304 0.4554 ( 7586 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9901 -22.9900 -22.9872 -22.9872 -22.3572 -22.3572 -22.3533 -22.3533 -22.3422 -22.3422 -22.3280 -22.3280 -7.3712 -7.3712 -6.0933 -6.0892 -6.0825 -6.0772 -5.9786 -5.9750 -5.9621 -5.9594 -5.0427 -5.0379 -3.8014 -3.8008 -3.7952 -3.7952 -3.7457 -3.7454 -3.4303 -3.4297 -3.4127 -3.4056 -3.2878 -3.2785 -3.2519 -3.2444 -3.1525 -3.1412 -2.6883 -2.6849 -2.4170 -2.4092 -2.2111 -2.2037 -2.1896 -2.1893 7.6173 7.6173 7.6188 7.6189 11.1288 11.1289 12.0260 12.0264 12.0821 12.0831 k = 0.0658 0.0380 0.4554 ( 7590 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9896 -22.9896 -22.9851 -22.9851 -22.3596 -22.3596 -22.3535 -22.3535 -22.3422 -22.3422 -22.3283 -22.3283 -7.3658 -7.3658 -6.1073 -6.1016 -6.0957 -6.0885 -5.9649 -5.9593 -5.9475 -5.9433 -5.0473 -5.0413 -3.8103 -3.8093 -3.8036 -3.8034 -3.7435 -3.7429 -3.4416 -3.4416 -3.4226 -3.4143 -3.2800 -3.2653 -3.2409 -3.2286 -3.1428 -3.1299 -2.6893 -2.6851 -2.4201 -2.4104 -2.2152 -2.2059 -2.1927 -2.1920 7.6316 7.6317 7.6339 7.6340 11.1430 11.1432 12.0020 12.0024 12.0664 12.0675 k = 0.0789 0.0456 0.4554 ( 7602 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9890 -22.9890 -22.9826 -22.9826 -22.3625 -22.3625 -22.3537 -22.3537 -22.3423 -22.3423 -22.3287 -22.3287 -7.3592 -7.3592 -6.1214 -6.1146 -6.1077 -6.0993 -5.9512 -5.9435 -5.9325 -5.9266 -5.0527 -5.0455 -3.8211 -3.8196 -3.8140 -3.8135 -3.7406 -3.7398 -3.4527 -3.4524 -3.4319 -3.4228 -3.2733 -3.2540 -3.2284 -3.2118 -3.1308 -3.1168 -2.6905 -2.6855 -2.4235 -2.4121 -2.2199 -2.2086 -2.1964 -2.1953 7.6491 7.6492 7.6524 7.6525 11.1602 11.1604 11.9713 11.9718 12.0468 12.0482 k = 0.0921 0.0532 0.4554 ( 7606 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9884 -22.9884 -22.9797 -22.9797 -22.3659 -22.3659 -22.3540 -22.3540 -22.3423 -22.3423 -22.3292 -22.3292 -7.3514 -7.3514 -6.1355 -6.1284 -6.1183 -6.1094 -5.9377 -5.9281 -5.9168 -5.9094 -5.0588 -5.0506 -3.8336 -3.8317 -3.8262 -3.8254 -3.7372 -3.7361 -3.4625 -3.4622 -3.4403 -3.4307 -3.2677 -3.2456 -3.2136 -3.1943 -3.1170 -3.1025 -2.6918 -2.6860 -2.4273 -2.4143 -2.2254 -2.2120 -2.2008 -2.1991 7.6697 7.6698 7.6741 7.6743 11.1803 11.1806 11.9348 11.9352 12.0233 12.0249 k = 0.1053 0.0608 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9876 -22.9876 -22.9762 -22.9762 -22.3698 -22.3698 -22.3543 -22.3543 -22.3424 -22.3424 -22.3297 -22.3297 -7.3425 -7.3425 -6.1497 -6.1425 -6.1279 -6.1189 -5.9243 -5.9132 -5.9004 -5.8919 -5.0658 -5.0565 -3.8476 -3.8455 -3.8402 -3.8392 -3.7333 -3.7318 -3.4710 -3.4708 -3.4476 -3.4379 -3.2629 -3.2396 -3.1971 -3.1764 -3.1019 -3.0871 -2.6934 -2.6868 -2.4314 -2.4169 -2.2316 -2.2160 -2.2057 -2.2034 7.6934 7.6935 7.6991 7.6993 11.2032 11.2034 11.8930 11.8934 11.9955 11.9973 k = 0.1184 0.0684 0.4554 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9868 -22.9868 -22.9724 -22.9724 -22.3742 -22.3742 -22.3546 -22.3546 -22.3424 -22.3424 -22.3303 -22.3303 -7.3325 -7.3325 -6.1638 -6.1569 -6.1367 -6.1277 -5.9111 -5.8988 -5.8832 -5.8740 -5.0735 -5.0632 -3.8629 -3.8608 -3.8559 -3.8548 -3.7287 -3.7269 -3.4782 -3.4780 -3.4539 -3.4443 -3.2588 -3.2350 -3.1796 -3.1583 -3.0861 -3.0712 -2.6951 -2.6878 -2.4359 -2.4198 -2.2385 -2.2208 -2.2111 -2.2080 7.7201 7.7202 7.7273 7.7276 11.2285 11.2288 11.8464 11.8468 11.9632 11.9652 k = 0.1316 0.0760 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9859 -22.9859 -22.9681 -22.9681 -22.3791 -22.3791 -22.3550 -22.3550 -22.3425 -22.3425 -22.3310 -22.3310 -7.3214 -7.3214 -6.1780 -6.1712 -6.1448 -6.1359 -5.8981 -5.8849 -5.8655 -5.8558 -5.0820 -5.0706 -3.8794 -3.8775 -3.8729 -3.8720 -3.7237 -3.7215 -3.4843 -3.4836 -3.4592 -3.4498 -3.2551 -3.2311 -3.1618 -3.1402 -3.0699 -3.0549 -2.6970 -2.6890 -2.4405 -2.4232 -2.2460 -2.2265 -2.2167 -2.2130 7.7498 7.7499 7.7587 7.7590 11.2560 11.2563 11.7955 11.7959 11.9262 11.9284 k = 0.1447 0.0836 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9849 -22.9849 -22.9635 -22.9635 -22.3845 -22.3845 -22.3554 -22.3554 -22.3426 -22.3426 -22.3316 -22.3316 -7.3093 -7.3093 -6.1922 -6.1856 -6.1521 -6.1434 -5.8853 -5.8714 -5.8473 -5.8375 -5.0911 -5.0788 -3.8967 -3.8958 -3.8908 -3.8907 -3.7181 -3.7155 -3.4893 -3.4879 -3.4637 -3.4546 -3.2516 -3.2276 -3.1440 -3.1224 -3.0537 -3.0387 -2.6992 -2.6905 -2.4454 -2.4269 -2.2541 -2.2331 -2.2224 -2.2183 7.7825 7.7827 7.7932 7.7935 11.2851 11.2855 11.7406 11.7410 11.8845 11.8868 k = 0.1579 0.0912 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9839 -22.9839 -22.9584 -22.9584 -22.3903 -22.3903 -22.3558 -22.3558 -22.3427 -22.3427 -22.3324 -22.3324 -7.2962 -7.2961 -6.2063 -6.2001 -6.1588 -6.1502 -5.8727 -5.8582 -5.8289 -5.8190 -5.1009 -5.0877 -3.9155 -3.9147 -3.9105 -3.9092 -3.7120 -3.7091 -3.4931 -3.4911 -3.4674 -3.4586 -3.2480 -3.2240 -3.1263 -3.1048 -3.0377 -3.0226 -2.7015 -2.6923 -2.4505 -2.4310 -2.2629 -2.2407 -2.2281 -2.2238 7.8182 7.8183 7.8308 7.8311 11.3151 11.3156 11.6820 11.6825 11.8385 11.8410 k = 0.1711 0.0988 0.4554 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9827 -22.9827 -22.9529 -22.9529 -22.3965 -22.3965 -22.3563 -22.3563 -22.3428 -22.3428 -22.3331 -22.3331 -7.2821 -7.2820 -6.2205 -6.2145 -6.1648 -6.1564 -5.8604 -5.8454 -5.8103 -5.8004 -5.1113 -5.0973 -3.9364 -3.9332 -3.9313 -3.9279 -3.7054 -3.7021 -3.4961 -3.4935 -3.4704 -3.4619 -3.2442 -3.2203 -3.1090 -3.0877 -3.0221 -3.0069 -2.7041 -2.6942 -2.4557 -2.4353 -2.2724 -2.2492 -2.2338 -2.2296 7.8567 7.8568 7.8713 7.8717 11.3446 11.3451 11.6202 11.6206 11.7895 11.7920 k = 0.1842 0.1064 0.4554 ( 7612 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9816 -22.9816 -22.9470 -22.9470 -22.4032 -22.4032 -22.3568 -22.3568 -22.3429 -22.3429 -22.3339 -22.3339 -7.2671 -7.2670 -6.2346 -6.2289 -6.1701 -6.1620 -5.8483 -5.8328 -5.7917 -5.7818 -5.1223 -5.1075 -3.9582 -3.9530 -3.9519 -3.9469 -3.6983 -3.6947 -3.4985 -3.4952 -3.4728 -3.4646 -3.2400 -3.2161 -3.0923 -3.0713 -3.0070 -2.9917 -2.7067 -2.6963 -2.4609 -2.4398 -2.2824 -2.2586 -2.2395 -2.2354 7.8980 7.8981 7.9148 7.9152 11.3709 11.3716 11.5553 11.5557 11.7402 11.7426 k = 0.1974 0.1140 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9804 -22.9804 -22.9408 -22.9408 -22.4102 -22.4102 -22.3573 -22.3572 -22.3430 -22.3430 -22.3348 -22.3348 -7.2512 -7.2512 -6.2488 -6.2433 -6.1749 -6.1670 -5.8364 -5.8205 -5.7730 -5.7633 -5.1338 -5.1183 -3.9804 -3.9749 -3.9709 -3.9660 -3.6909 -3.6869 -3.5003 -3.4964 -3.4748 -3.4667 -3.2352 -3.2113 -3.0764 -3.0557 -2.9926 -2.9770 -2.7094 -2.6986 -2.4663 -2.4446 -2.2929 -2.2687 -2.2452 -2.2414 7.9420 7.9422 7.9612 7.9616 11.3889 11.3899 11.4877 11.4881 11.6958 11.6980 k = 0.2105 0.1215 0.4554 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9791 -22.9791 -22.9342 -22.9342 -22.4177 -22.4177 -22.3578 -22.3578 -22.3432 -22.3432 -22.3356 -22.3356 -7.2345 -7.2345 -6.2629 -6.2577 -6.1790 -6.1713 -5.8248 -5.8085 -5.7545 -5.7449 -5.1458 -5.1296 -4.0029 -3.9972 -3.9899 -3.9851 -3.6830 -3.6786 -3.5019 -3.4975 -3.4764 -3.4683 -3.2298 -3.2059 -3.0613 -3.0410 -2.9789 -2.9630 -2.7120 -2.7009 -2.4716 -2.4495 -2.3040 -2.2795 -2.2509 -2.2474 7.9888 7.9890 8.0103 8.0108 11.3897 11.3910 11.4175 11.4180 11.6656 11.6676 k = 0.2237 0.1291 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9778 -22.9778 -22.9272 -22.9272 -22.4255 -22.4255 -22.3583 -22.3583 -22.3434 -22.3433 -22.3364 -22.3364 -7.2171 -7.2171 -6.2770 -6.2720 -6.1825 -6.1751 -5.8135 -5.7968 -5.7361 -5.7267 -5.1582 -5.1415 -4.0254 -4.0194 -4.0088 -4.0041 -3.6748 -3.6700 -3.5032 -3.4984 -3.4776 -3.4694 -3.2236 -3.1997 -3.0473 -3.0276 -2.9660 -2.9498 -2.7145 -2.7031 -2.4770 -2.4545 -2.3155 -2.2909 -2.2567 -2.2534 8.0381 8.0384 8.0622 8.0627 11.3451 11.3456 11.3649 11.3665 11.6584 11.6600 k = 0.2368 0.1367 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9765 -22.9765 -22.9200 -22.9200 -22.4336 -22.4336 -22.3588 -22.3588 -22.3435 -22.3435 -22.3373 -22.3373 -7.1990 -7.1990 -6.2912 -6.2864 -6.1855 -6.1783 -5.8024 -5.7854 -5.7180 -5.7088 -5.1710 -5.1538 -4.0477 -4.0416 -4.0273 -4.0228 -3.6663 -3.6611 -3.5046 -3.4996 -3.4784 -3.4700 -3.2166 -3.1927 -3.0346 -3.0155 -2.9539 -2.9373 -2.7166 -2.7051 -2.4822 -2.4596 -2.3275 -2.3028 -2.2624 -2.2593 8.0901 8.0903 8.1167 8.1172 11.2706 11.2711 11.3161 11.3179 11.6726 11.6740 k = 0.2500 0.1443 0.4554 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0641 -22.9752 -22.9752 -22.9124 -22.9124 -22.4420 -22.4420 -22.3594 -22.3594 -22.3437 -22.3437 -22.3381 -22.3381 -7.1803 -7.1802 -6.3053 -6.3008 -6.1879 -6.1810 -5.7915 -5.7743 -5.7002 -5.6913 -5.1842 -5.1666 -4.0697 -4.0633 -4.0455 -4.0412 -3.6575 -3.6519 -3.5062 -3.5010 -3.4789 -3.4700 -3.2086 -3.1847 -3.0233 -3.0051 -2.9428 -2.9257 -2.7182 -2.7068 -2.4874 -2.4647 -2.3398 -2.3152 -2.2680 -2.2653 8.1445 8.1447 8.1737 8.1743 11.1943 11.1948 11.2518 11.2538 11.6996 11.7009 k = 0.2632 0.1519 0.4554 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0641 -22.9738 -22.9738 -22.9046 -22.9046 -22.4508 -22.4508 -22.3600 -22.3599 -22.3439 -22.3439 -22.3389 -22.3389 -7.1610 -7.1610 -6.3195 -6.3152 -6.1898 -6.1833 -5.7810 -5.7635 -5.6829 -5.6742 -5.1977 -5.1797 -4.0911 -4.0846 -4.0632 -4.0592 -3.6486 -3.6426 -3.5080 -3.5027 -3.4789 -3.4696 -3.1998 -3.1758 -3.0138 -2.9964 -2.9325 -2.9150 -2.7192 -2.7080 -2.4924 -2.4698 -2.3525 -2.3281 -2.2736 -2.2711 8.2013 8.2016 8.2331 8.2338 11.1163 11.1168 11.1788 11.1807 11.7322 11.7335 k = 0.2763 0.1595 0.4554 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0641 -22.9725 -22.9725 -22.8965 -22.8965 -22.4597 -22.4597 -22.3605 -22.3605 -22.3441 -22.3441 -22.3397 -22.3397 -7.1413 -7.1413 -6.3336 -6.3296 -6.1913 -6.1850 -5.7706 -5.7530 -5.6660 -5.6577 -5.2114 -5.1931 -4.1119 -4.1053 -4.0804 -4.0765 -3.6395 -3.6332 -3.5102 -3.5049 -3.4784 -3.4687 -3.1900 -3.1660 -3.0061 -2.9898 -2.9232 -2.9051 -2.7192 -2.7085 -2.4972 -2.4748 -2.3654 -2.3412 -2.2791 -2.2768 8.2604 8.2607 8.2950 8.2956 11.0368 11.0374 11.1006 11.1026 11.7661 11.7674 k = 0.2895 0.1671 0.4554 ( 7634 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0641 -22.9712 -22.9712 -22.8882 -22.8882 -22.4689 -22.4689 -22.3611 -22.3611 -22.3444 -22.3444 -22.3404 -22.3404 -7.1212 -7.1212 -6.3478 -6.3440 -6.1923 -6.1864 -5.7605 -5.7429 -5.6497 -5.6417 -5.2252 -5.2068 -4.1318 -4.1252 -4.0968 -4.0932 -3.6305 -3.6239 -3.5129 -3.5076 -3.4773 -3.4672 -3.1793 -3.1553 -3.0004 -2.9853 -2.9148 -2.8963 -2.7183 -2.7081 -2.5019 -2.4798 -2.3784 -2.3546 -2.2845 -2.2823 8.3217 8.3220 8.3590 8.3597 10.9560 10.9566 11.0192 11.0212 11.7982 11.7996 k = 0.3026 0.1747 0.4554 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9699 -22.9699 -22.8796 -22.8796 -22.4783 -22.4783 -22.3617 -22.3617 -22.3447 -22.3447 -22.3411 -22.3411 -7.1009 -7.1008 -6.3619 -6.3583 -6.1930 -6.1873 -5.7507 -5.7330 -5.6340 -5.6264 -5.2391 -5.2206 -4.1508 -4.1442 -4.1125 -4.1092 -3.6215 -3.6147 -3.5160 -3.5106 -3.4755 -3.4651 -3.1678 -3.1438 -2.9968 -2.9831 -2.9074 -2.8884 -2.7163 -2.7069 -2.5063 -2.4846 -2.3915 -2.3682 -2.2897 -2.2877 8.3851 8.3855 8.4252 8.4260 10.8740 10.8746 10.9358 10.9377 11.8263 11.8278 k = 0.3158 0.1823 0.4554 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9687 -22.9687 -22.8710 -22.8710 -22.4877 -22.4877 -22.3622 -22.3622 -22.3450 -22.3450 -22.3417 -22.3417 -7.0804 -7.0803 -6.3760 -6.3727 -6.1933 -6.1879 -5.7411 -5.7234 -5.6191 -5.6119 -5.2530 -5.2345 -4.1688 -4.1622 -4.1274 -4.1243 -3.6128 -3.6057 -3.5195 -3.5142 -3.4730 -3.4624 -3.1555 -3.1315 -2.9954 -2.9830 -2.9011 -2.8815 -2.7132 -2.7047 -2.5105 -2.4893 -2.4046 -2.3818 -2.2947 -2.2930 8.4506 8.4510 8.4935 8.4943 10.7910 10.7916 10.8510 10.8528 11.8491 11.8505 k = 0.3289 0.1899 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9674 -22.9674 -22.8622 -22.8622 -22.4973 -22.4973 -22.3628 -22.3628 -22.3454 -22.3454 -22.3423 -22.3423 -7.0598 -7.0597 -6.3901 -6.3870 -6.1932 -6.1882 -5.7317 -5.7142 -5.6049 -5.5982 -5.2667 -5.2484 -4.1856 -4.1791 -4.1414 -4.1386 -3.6043 -3.5973 -3.5233 -3.5180 -3.4697 -3.4591 -3.1426 -3.1185 -2.9960 -2.9849 -2.8957 -2.8757 -2.7090 -2.7015 -2.5144 -2.4938 -2.4175 -2.3954 -2.2996 -2.2980 8.5180 8.5184 8.5637 8.5645 10.7071 10.7077 10.7652 10.7670 11.8659 11.8673 k = 0.3421 0.1975 0.4554 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9663 -22.9663 -22.8533 -22.8533 -22.5069 -22.5069 -22.3633 -22.3633 -22.3457 -22.3457 -22.3427 -22.3427 -7.0393 -7.0392 -6.4041 -6.4012 -6.1930 -6.1883 -5.7226 -5.7054 -5.5916 -5.5853 -5.2803 -5.2622 -4.2013 -4.1949 -4.1545 -4.1520 -3.5963 -3.5894 -3.5274 -3.5222 -3.4656 -3.4551 -3.1291 -3.1049 -2.9984 -2.9887 -2.8915 -2.8711 -2.7041 -2.6976 -2.5181 -2.4981 -2.4302 -2.4088 -2.3044 -2.3029 8.5872 8.5877 8.6357 8.6365 10.6226 10.6232 10.6787 10.6805 11.8773 11.8786 k = 0.3553 0.2051 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9652 -22.9652 -22.8445 -22.8445 -22.5165 -22.5165 -22.3638 -22.3638 -22.3462 -22.3462 -22.3431 -22.3431 -7.0190 -7.0189 -6.4180 -6.4154 -6.1925 -6.1881 -5.7138 -5.6969 -5.5792 -5.5734 -5.2935 -5.2758 -4.2157 -4.2096 -4.1666 -4.1644 -3.5889 -3.5822 -3.5315 -3.5266 -3.4606 -3.4505 -3.1152 -3.0909 -3.0026 -2.9940 -2.8883 -2.8675 -2.6985 -2.6929 -2.5215 -2.5022 -2.4425 -2.4219 -2.3089 -2.3075 8.6581 8.6586 8.7093 8.7102 10.5374 10.5380 10.5918 10.5935 11.8844 11.8857 k = 0.3684 0.2127 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9641 -22.9641 -22.8357 -22.8357 -22.5260 -22.5260 -22.3643 -22.3643 -22.3466 -22.3466 -22.3434 -22.3434 -6.9990 -6.9989 -6.4317 -6.4293 -6.1918 -6.1878 -5.7052 -5.6888 -5.5677 -5.5624 -5.3064 -5.2892 -4.2289 -4.2230 -4.1778 -4.1758 -3.5821 -3.5759 -3.5358 -3.5311 -3.4548 -3.4453 -3.1010 -3.0766 -3.0080 -3.0005 -2.8863 -2.8651 -2.6924 -2.6878 -2.5246 -2.5061 -2.4543 -2.4346 -2.3131 -2.3119 8.7306 8.7310 8.7846 8.7855 10.4519 10.4525 10.5046 10.5063 11.8886 11.8898 k = 0.3816 0.2203 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9632 -22.9632 -22.8270 -22.8270 -22.5353 -22.5353 -22.3648 -22.3648 -22.3470 -22.3470 -22.3436 -22.3436 -6.9797 -6.9796 -6.4451 -6.4429 -6.1910 -6.1874 -5.6970 -5.6812 -5.5572 -5.5525 -5.3186 -5.3021 -4.2407 -4.2351 -4.1879 -4.1861 -3.5759 -3.5705 -3.5398 -3.5356 -3.4484 -3.4395 -3.0867 -3.0621 -3.0145 -3.0079 -2.8854 -2.8639 -2.6862 -2.6824 -2.5274 -2.5097 -2.4654 -2.4467 -2.3172 -2.3160 8.8044 8.8048 8.8612 8.8622 10.3663 10.3669 10.4172 10.4189 11.8912 11.8924 k = 0.3947 0.2279 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9623 -22.9623 -22.8185 -22.8185 -22.5443 -22.5443 -22.3652 -22.3652 -22.3474 -22.3474 -22.3439 -22.3439 -6.9611 -6.9609 -6.4581 -6.4561 -6.1901 -6.1869 -5.6891 -5.6742 -5.5478 -5.5436 -5.3301 -5.3145 -4.2512 -4.2460 -4.1970 -4.1955 -3.5706 -3.5660 -3.5436 -3.5401 -3.4414 -3.4334 -3.0725 -3.0478 -3.0215 -3.0156 -2.8856 -2.8639 -2.6800 -2.6769 -2.5299 -2.5132 -2.4757 -2.4581 -2.3209 -2.3199 8.8793 8.8798 8.9391 8.9401 10.2806 10.2812 10.3299 10.3315 11.8932 11.8943 k = 0.4079 0.2355 0.4554 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9615 -22.9615 -22.8105 -22.8105 -22.5528 -22.5528 -22.3656 -22.3656 -22.3478 -22.3478 -22.3440 -22.3440 -6.9434 -6.9433 -6.4706 -6.4688 -6.1892 -6.1863 -5.6816 -5.6677 -5.5394 -5.5357 -5.3406 -5.3262 -4.2603 -4.2556 -4.2050 -4.2037 -3.5659 -3.5626 -3.5469 -3.5443 -3.4341 -3.4270 -3.0591 -3.0357 -3.0269 -3.0229 -2.8868 -2.8651 -2.6740 -2.6715 -2.5321 -2.5165 -2.4849 -2.4686 -2.3243 -2.3234 8.9552 8.9557 9.0181 9.0191 10.1953 10.1959 10.2427 10.2443 11.8952 11.8962 k = 0.4211 0.2431 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9608 -22.9608 -22.8029 -22.8029 -22.5609 -22.5609 -22.3660 -22.3660 -22.3481 -22.3481 -22.3442 -22.3442 -6.9271 -6.9270 -6.4822 -6.4807 -6.1883 -6.1858 -5.6746 -5.6620 -5.5321 -5.5289 -5.3502 -5.3370 -4.2681 -4.2640 -4.2120 -4.2109 -3.5620 -3.5605 -3.5493 -3.5482 -3.4267 -3.4206 -3.0486 -3.0385 -3.0273 -3.0179 -2.8890 -2.8675 -2.6684 -2.6664 -2.5339 -2.5197 -2.4929 -2.4781 -2.3274 -2.3266 9.0316 9.0321 9.0979 9.0989 10.1107 10.1113 10.1559 10.1574 11.8979 11.8988 k = 0.4342 0.2507 0.4554 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9601 -22.9601 -22.7959 -22.7959 -22.5682 -22.5682 -22.3663 -22.3663 -22.3484 -22.3484 -22.3443 -22.3443 -6.9124 -6.9122 -6.4929 -6.4916 -6.1874 -6.1853 -5.6681 -5.6571 -5.5258 -5.5232 -5.3584 -5.3469 -4.2746 -4.2711 -4.2179 -4.2170 -3.5599 -3.5590 -3.5516 -3.5505 -3.4197 -3.4146 -3.0473 -3.0454 -3.0226 -3.0052 -2.8919 -2.8710 -2.6634 -2.6619 -2.5354 -2.5229 -2.4994 -2.4864 -2.3300 -2.3294 9.1080 9.1085 9.1782 9.1793 10.0273 10.0279 10.0697 10.0712 11.9014 11.9023 k = 0.4474 0.2583 0.4554 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9596 -22.9596 -22.7898 -22.7898 -22.5746 -22.5746 -22.3666 -22.3666 -22.3486 -22.3486 -22.3444 -22.3444 -6.8995 -6.8994 -6.5022 -6.5012 -6.1866 -6.1849 -5.6623 -5.6531 -5.5206 -5.5186 -5.3652 -5.3555 -4.2798 -4.2769 -4.2227 -4.2220 -3.5606 -3.5573 -3.5537 -3.5504 -3.4132 -3.4091 -3.0520 -3.0519 -3.0117 -2.9935 -2.8952 -2.8756 -2.6591 -2.6579 -2.5366 -2.5261 -2.5044 -2.4935 -2.3323 -2.3317 9.1834 9.1839 9.2584 9.2595 9.9462 9.9467 9.9848 9.9862 11.9060 11.9069 k = 0.4605 0.2659 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9592 -22.9592 -22.7848 -22.7848 -22.5799 -22.5799 -22.3668 -22.3668 -22.3488 -22.3488 -22.3445 -22.3445 -6.8890 -6.8889 -6.5100 -6.5092 -6.1859 -6.1846 -5.6574 -5.6501 -5.5166 -5.5150 -5.3704 -5.3628 -4.2838 -4.2815 -4.2264 -4.2259 -3.5616 -3.5586 -3.5530 -3.5500 -3.4076 -3.4046 -3.0574 -3.0571 -3.0003 -2.9837 -2.8983 -2.8810 -2.6556 -2.6548 -2.5373 -2.5293 -2.5077 -2.4994 -2.3341 -2.3336 9.2562 9.2567 9.3376 9.3387 9.8690 9.8695 9.9020 9.9033 11.9118 11.9126 k = 0.4737 0.2735 0.4554 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9590 -22.9590 -22.7810 -22.7810 -22.5839 -22.5839 -22.3669 -22.3669 -22.3490 -22.3490 -22.3445 -22.3445 -6.8812 -6.8811 -6.5157 -6.5152 -6.1853 -6.1845 -5.6533 -5.6483 -5.5136 -5.5126 -5.3738 -5.3686 -4.2865 -4.2850 -4.2291 -4.2287 -3.5625 -3.5604 -3.5516 -3.5496 -3.4033 -3.4013 -3.0616 -3.0613 -2.9899 -2.9769 -2.9003 -2.8869 -2.6530 -2.6525 -2.5375 -2.5321 -2.5095 -2.5039 -2.3353 -2.3350 9.3226 9.3230 9.4133 9.4144 9.7994 9.7999 9.8238 9.8250 11.9186 11.9194 k = 0.4868 0.2811 0.4554 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9588 -22.9588 -22.7786 -22.7786 -22.5864 -22.5864 -22.3670 -22.3670 -22.3490 -22.3490 -22.3446 -22.3446 -6.8763 -6.8763 -6.5193 -6.5190 -6.1848 -6.1844 -5.6503 -5.6478 -5.5117 -5.5112 -5.3753 -5.3727 -4.2879 -4.2871 -4.2306 -4.2304 -3.5629 -3.5618 -3.5506 -3.5496 -3.4004 -3.3994 -3.0642 -3.0640 -2.9814 -2.9741 -2.9001 -2.8926 -2.6513 -2.6511 -2.5372 -2.5345 -2.5099 -2.5072 -2.3361 -2.3359 9.3742 9.3745 9.4780 9.4788 9.7460 9.7463 9.7579 9.7587 11.9258 11.9264 k = 0.5000 0.2887 0.4554 ( 7628 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9587 -22.9587 -22.7778 -22.7778 -22.5872 -22.5872 -22.3671 -22.3671 -22.3491 -22.3491 -22.3446 -22.3446 -6.8746 -6.8746 -6.5204 -6.5204 -6.1846 -6.1846 -5.6484 -5.6484 -5.5109 -5.5109 -5.3749 -5.3749 -4.2881 -4.2881 -4.2311 -4.2311 -3.5627 -3.5627 -3.5499 -3.5499 -3.3990 -3.3990 -3.0650 -3.0650 -2.9757 -2.9757 -2.8974 -2.8974 -2.6507 -2.6507 -2.5362 -2.5362 -2.5092 -2.5092 -2.3363 -2.3363 9.3953 9.3953 9.5084 9.5084 9.7244 9.7244 9.7281 9.7281 11.9299 11.9299 k = 0.5000 0.2887 0.4554 ( 7628 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9587 -22.9587 -22.7778 -22.7778 -22.5872 -22.5872 -22.3671 -22.3671 -22.3491 -22.3491 -22.3446 -22.3446 -6.8746 -6.8746 -6.5204 -6.5204 -6.1846 -6.1846 -5.6484 -5.6484 -5.5109 -5.5109 -5.3749 -5.3749 -4.2881 -4.2881 -4.2311 -4.2311 -3.5627 -3.5627 -3.5499 -3.5499 -3.3990 -3.3990 -3.0650 -3.0650 -2.9757 -2.9757 -2.8974 -2.8974 -2.6507 -2.6507 -2.5362 -2.5362 -2.5092 -2.5092 -2.3363 -2.3363 9.3953 9.3953 9.5084 9.5084 9.7244 9.7244 9.7281 9.7281 11.9299 11.9299 k = 0.4924 0.3018 0.4554 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9587 -22.9587 -22.7776 -22.7776 -22.5874 -22.5874 -22.3671 -22.3671 -22.3491 -22.3491 -22.3446 -22.3446 -6.8741 -6.8739 -6.5205 -6.5202 -6.1855 -6.1852 -5.6482 -5.6479 -5.5115 -5.5106 -5.3755 -5.3749 -4.2899 -4.2870 -4.2316 -4.2284 -3.5734 -3.5675 -3.5454 -3.5395 -3.3992 -3.3992 -3.0699 -3.0670 -2.9739 -2.9707 -2.8969 -2.8963 -2.6508 -2.6503 -2.5369 -2.5359 -2.5098 -2.5094 -2.3378 -2.3358 9.3961 9.3962 9.5092 9.5093 9.7243 9.7258 9.7292 9.7307 11.9264 11.9266 k = 0.4848 0.3149 0.4554 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9586 -22.9586 -22.7770 -22.7770 -22.5880 -22.5880 -22.3671 -22.3671 -22.3491 -22.3491 -22.3447 -22.3447 -6.8722 -6.8719 -6.5206 -6.5198 -6.1879 -6.1873 -5.6473 -5.6468 -5.5125 -5.5107 -5.3766 -5.3754 -4.2920 -4.2868 -4.2297 -4.2239 -3.5863 -3.5801 -3.5339 -3.5276 -3.3997 -3.3997 -3.0798 -3.0750 -2.9658 -2.9603 -2.8950 -2.8938 -2.6505 -2.6495 -2.5382 -2.5361 -2.5113 -2.5106 -2.3403 -2.3365 9.3988 9.3990 9.5117 9.5119 9.7263 9.7282 9.7343 9.7362 11.9161 11.9164 k = 0.4773 0.3280 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9584 -22.9584 -22.7760 -22.7760 -22.5890 -22.5890 -22.3672 -22.3672 -22.3492 -22.3492 -22.3448 -22.3448 -6.8690 -6.8685 -6.5205 -6.5193 -6.1918 -6.1910 -5.6458 -5.6450 -5.5138 -5.5112 -5.3783 -5.3765 -4.2943 -4.2874 -4.2254 -4.2177 -3.5998 -3.5937 -3.5222 -3.5158 -3.4005 -3.4004 -3.0927 -3.0868 -2.9539 -2.9469 -2.8916 -2.8899 -2.6499 -2.6484 -2.5402 -2.5367 -2.5134 -2.5126 -2.3438 -2.3382 9.4033 9.4036 9.5159 9.5162 9.7307 9.7326 9.7425 9.7444 11.8965 11.8967 k = 0.4697 0.3412 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9582 -22.9582 -22.7746 -22.7746 -22.5904 -22.5904 -22.3672 -22.3672 -22.3494 -22.3494 -22.3449 -22.3449 -6.8646 -6.8639 -6.5203 -6.5188 -6.1971 -6.1960 -5.6436 -5.6425 -5.5155 -5.5119 -5.3804 -5.3780 -4.2964 -4.2886 -4.2191 -4.2102 -3.6138 -3.6078 -3.5106 -3.5043 -3.4016 -3.4014 -3.1072 -3.1006 -2.9399 -2.9319 -2.8867 -2.8847 -2.6489 -2.6469 -2.5429 -2.5378 -2.5160 -2.5156 -2.3484 -2.3410 9.4096 9.4100 9.5218 9.5222 9.7374 9.7393 9.7533 9.7551 11.8543 11.8545 k = 0.4621 0.3543 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9579 -22.9579 -22.7728 -22.7728 -22.5922 -22.5922 -22.3673 -22.3673 -22.3495 -22.3495 -22.3451 -22.3451 -6.8589 -6.8580 -6.5201 -6.5182 -6.2037 -6.2023 -5.6409 -5.6395 -5.5174 -5.5130 -5.3830 -5.3801 -4.2984 -4.2902 -4.2111 -4.2015 -3.6282 -3.6224 -3.4994 -3.4932 -3.4027 -3.4025 -3.1224 -3.1154 -2.9250 -2.9159 -2.8804 -2.8781 -2.6475 -2.6451 -2.5466 -2.5394 -2.5193 -2.5189 -2.3540 -2.3448 9.4177 9.4182 9.5294 9.5299 9.7463 9.7480 9.7668 9.7685 11.8019 11.8022 k = 0.4545 0.3674 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9575 -22.9575 -22.7706 -22.7706 -22.5944 -22.5944 -22.3675 -22.3675 -22.3497 -22.3497 -22.3453 -22.3453 -6.8520 -6.8510 -6.5199 -6.5176 -6.2114 -6.2098 -5.6377 -5.6360 -5.5196 -5.5144 -5.3860 -5.3825 -4.3001 -4.2920 -4.2014 -4.1918 -3.6430 -3.6375 -3.4884 -3.4824 -3.4039 -3.4036 -3.1379 -3.1307 -2.9097 -2.8996 -2.8727 -2.8703 -2.6458 -2.6430 -2.5513 -2.5418 -2.5236 -2.5218 -2.3605 -2.3497 9.4276 9.4282 9.5387 9.5393 9.7570 9.7586 9.7829 9.7845 11.7405 11.7408 k = 0.4470 0.3805 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9571 -22.9571 -22.7680 -22.7680 -22.5970 -22.5970 -22.3676 -22.3676 -22.3499 -22.3499 -22.3456 -22.3456 -6.8438 -6.8427 -6.5198 -6.5171 -6.2203 -6.2184 -5.6340 -5.6321 -5.5220 -5.5161 -5.3894 -5.3855 -4.3015 -4.2938 -4.1905 -4.1810 -3.6582 -3.6530 -3.4778 -3.4720 -3.4051 -3.4047 -3.1536 -3.1462 -2.8945 -2.8831 -2.8635 -2.8614 -2.6439 -2.6406 -2.5572 -2.5451 -2.5280 -2.5247 -2.3680 -2.3557 9.4392 9.4400 9.5497 9.5504 9.7695 9.7710 9.8017 9.8032 11.6713 11.6716 k = 0.4394 0.3936 0.4554 ( 7634 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9567 -22.9567 -22.7650 -22.7650 -22.6000 -22.6000 -22.3678 -22.3678 -22.3501 -22.3501 -22.3458 -22.3458 -6.8346 -6.8332 -6.5198 -6.5167 -6.2300 -6.2279 -5.6300 -5.6278 -5.5246 -5.5180 -5.3931 -5.3887 -4.3027 -4.2955 -4.1783 -4.1693 -3.6738 -3.6691 -3.4675 -3.4620 -3.4060 -3.4056 -3.1692 -3.1616 -2.8797 -2.8668 -2.8526 -2.8513 -2.6415 -2.6378 -2.5642 -2.5498 -2.5322 -2.5274 -2.3764 -2.3628 9.4526 9.4535 9.5623 9.5631 9.7834 9.7847 9.8232 9.8245 11.5955 11.5958 k = 0.4318 0.4068 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9562 -22.9562 -22.7616 -22.7616 -22.6034 -22.6034 -22.3680 -22.3680 -22.3503 -22.3503 -22.3462 -22.3462 -6.8242 -6.8227 -6.5201 -6.5166 -6.2405 -6.2382 -5.6257 -5.6232 -5.5274 -5.5202 -5.3971 -5.3923 -4.3038 -4.2972 -4.1651 -4.1567 -3.6899 -3.6856 -3.4576 -3.4524 -3.4067 -3.4062 -3.1846 -3.1769 -2.8657 -2.8512 -2.8403 -2.8396 -2.6389 -2.6348 -2.5721 -2.5559 -2.5358 -2.5299 -2.3858 -2.3709 9.4678 9.4688 9.5765 9.5774 9.7983 9.7994 9.8473 9.8485 11.5143 11.5146 k = 0.4242 0.4199 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9557 -22.9557 -22.7578 -22.7578 -22.6072 -22.6072 -22.3682 -22.3682 -22.3505 -22.3505 -22.3465 -22.3465 -6.8128 -6.8111 -6.5208 -6.5170 -6.2515 -6.2489 -5.6212 -5.6184 -5.5303 -5.5226 -5.4012 -5.3962 -4.3046 -4.2988 -4.1510 -4.1433 -3.7065 -3.7026 -3.4480 -3.4433 -3.4069 -3.4064 -3.1998 -3.1920 -2.8524 -2.8368 -2.8266 -2.8261 -2.6360 -2.6316 -2.5809 -2.5635 -2.5389 -2.5323 -2.3960 -2.3800 9.4847 9.4858 9.5924 9.5934 9.8139 9.8148 9.8742 9.8752 11.4286 11.4289 k = 0.4167 0.4330 0.4554 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9552 -22.9552 -22.7536 -22.7536 -22.6114 -22.6114 -22.3684 -22.3684 -22.3507 -22.3507 -22.3468 -22.3468 -6.8004 -6.7986 -6.5220 -6.5178 -6.2627 -6.2599 -5.6165 -5.6134 -5.5333 -5.5251 -5.4055 -5.4002 -4.3054 -4.3004 -4.1359 -4.1291 -3.7235 -3.7201 -3.4389 -3.4347 -3.4066 -3.4061 -3.2148 -3.2069 -2.8396 -2.8237 -2.8120 -2.8111 -2.6328 -2.6283 -2.5903 -2.5720 -2.5417 -2.5346 -2.4070 -2.3900 9.5033 9.5045 9.6097 9.6108 9.8298 9.8304 9.9037 9.9045 11.3396 11.3399 k = 0.4091 0.4461 0.4554 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9547 -22.9547 -22.7490 -22.7490 -22.6160 -22.6160 -22.3686 -22.3686 -22.3508 -22.3508 -22.3472 -22.3472 -6.7871 -6.7851 -6.5239 -6.5194 -6.2739 -6.2710 -5.6118 -5.6083 -5.5364 -5.5278 -5.4098 -5.4043 -4.3061 -4.3018 -4.1201 -4.1141 -3.7409 -3.7381 -3.4303 -3.4268 -3.4055 -3.4051 -3.2295 -3.2215 -2.8271 -2.8110 -2.7968 -2.7954 -2.6295 -2.6248 -2.6001 -2.5814 -2.5443 -2.5367 -2.4189 -2.4010 9.5236 9.5249 9.6286 9.6297 9.8452 9.8457 9.9358 9.9364 11.2480 11.2483 k = 0.4015 0.4593 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9542 -22.9542 -22.7440 -22.7440 -22.6210 -22.6210 -22.3688 -22.3688 -22.3509 -22.3509 -22.3476 -22.3476 -6.7729 -6.7708 -6.5267 -6.5220 -6.2849 -6.2819 -5.6070 -5.6032 -5.5394 -5.5306 -5.4141 -5.4086 -4.3068 -4.3032 -4.1035 -4.0984 -3.7587 -3.7565 -3.4221 -3.4196 -3.4035 -3.4035 -3.2439 -3.2357 -2.8146 -2.7984 -2.7815 -2.7796 -2.6259 -2.6218 -2.6100 -2.5913 -2.5468 -2.5386 -2.4314 -2.4128 9.5455 9.5469 9.6487 9.6499 9.8598 9.8600 9.9705 9.9710 11.1546 11.1549 k = 0.3939 0.4724 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9537 -22.9537 -22.7386 -22.7386 -22.6264 -22.6264 -22.3691 -22.3691 -22.3510 -22.3510 -22.3480 -22.3480 -6.7580 -6.7557 -6.5306 -6.5258 -6.2954 -6.2923 -5.6022 -5.5981 -5.5423 -5.5335 -5.4183 -5.4128 -4.3074 -4.3045 -4.0863 -4.0821 -3.7769 -3.7753 -3.4145 -3.4133 -3.4011 -3.4004 -3.2580 -3.2497 -2.8023 -2.7858 -2.7662 -2.7640 -2.6235 -2.6223 -2.6153 -2.6016 -2.5490 -2.5402 -2.4445 -2.4253 9.5691 9.5706 9.6701 9.6714 9.8726 9.8727 10.0076 10.0080 11.0601 11.0604 k = 0.3864 0.4855 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9532 -22.9532 -22.7328 -22.7328 -22.6322 -22.6322 -22.3693 -22.3693 -22.3510 -22.3510 -22.3483 -22.3483 -6.7423 -6.7399 -6.5359 -6.5310 -6.3049 -6.3020 -5.5976 -5.5930 -5.5452 -5.5364 -5.4223 -5.4169 -4.3081 -4.3058 -4.0685 -4.0652 -3.7954 -3.7945 -3.4079 -3.4074 -3.3979 -3.3962 -3.2717 -3.2633 -2.7900 -2.7732 -2.7512 -2.7489 -2.6331 -2.6187 -2.6131 -2.6122 -2.5510 -2.5415 -2.4581 -2.4386 9.5943 9.5959 9.6925 9.6938 9.8830 9.8831 10.0473 10.0475 10.9654 10.9656 k = 0.3788 0.4986 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9528 -22.9528 -22.7267 -22.7267 -22.6384 -22.6384 -22.3695 -22.3695 -22.3511 -22.3511 -22.3487 -22.3487 -6.7261 -6.7235 -6.5428 -6.5378 -6.3134 -6.3106 -5.5931 -5.5881 -5.5479 -5.5394 -5.4260 -5.4208 -4.3087 -4.3070 -4.0503 -4.0478 -3.8143 -3.8140 -3.4028 -3.4009 -3.3938 -3.3914 -3.2851 -3.2767 -2.7778 -2.7607 -2.7366 -2.7344 -2.6438 -2.6229 -2.6153 -2.6101 -2.5526 -2.5421 -2.4720 -2.4523 9.6212 9.6228 9.7155 9.7168 9.8901 9.8903 10.0892 10.0894 10.8710 10.8712 k = 0.3712 0.5117 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9524 -22.9524 -22.7202 -22.7202 -22.6449 -22.6449 -22.3697 -22.3697 -22.3510 -22.3510 -22.3490 -22.3490 -6.7093 -6.7066 -6.5514 -6.5465 -6.3205 -6.3180 -5.5889 -5.5833 -5.5504 -5.5425 -5.4293 -5.4245 -4.3094 -4.3081 -4.0317 -4.0300 -3.8337 -3.8333 -3.3977 -3.3950 -3.3888 -3.3864 -3.2982 -3.2898 -2.7658 -2.7484 -2.7226 -2.7207 -2.6545 -2.6335 -2.6121 -2.6075 -2.5536 -2.5421 -2.4860 -2.4663 9.6496 9.6513 9.7387 9.7401 9.8929 9.8933 10.1334 10.1334 10.7779 10.7781 k = 0.3636 0.5249 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9521 -22.9521 -22.7134 -22.7134 -22.6518 -22.6518 -22.3699 -22.3699 -22.3510 -22.3510 -22.3494 -22.3494 -6.6921 -6.6893 -6.5618 -6.5571 -6.3262 -6.3241 -5.5851 -5.5788 -5.5525 -5.5455 -5.4321 -5.4279 -4.3100 -4.3091 -4.0128 -4.0118 -3.8535 -3.8524 -3.3922 -3.3896 -3.3830 -3.3815 -3.3109 -3.3026 -2.7540 -2.7365 -2.7097 -2.7082 -2.6650 -2.6440 -2.6093 -2.6055 -2.5540 -2.5412 -2.4995 -2.4804 9.6796 9.6814 9.7614 9.7628 9.8906 9.8912 10.1796 10.1797 10.6870 10.6871 k = 0.3561 0.5380 0.4554 ( 7634 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9519 -22.9519 -22.7062 -22.7062 -22.6591 -22.6591 -22.3700 -22.3700 -22.3509 -22.3509 -22.3497 -22.3497 -6.6746 -6.6717 -6.5740 -6.5696 -6.3304 -6.3287 -5.5818 -5.5745 -5.5543 -5.5486 -5.4343 -5.4309 -4.3106 -4.3100 -3.9939 -3.9935 -3.8733 -3.8715 -3.3864 -3.3848 -3.3768 -3.3764 -3.3233 -3.3152 -2.7427 -2.7252 -2.6985 -2.6975 -2.6748 -2.6541 -2.6072 -2.6042 -2.5538 -2.5392 -2.5120 -2.4941 9.7112 9.7131 9.7825 9.7839 9.8824 9.8832 10.2278 10.2280 10.5997 10.5998 k = 0.3485 0.5511 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9517 -22.9517 -22.6986 -22.6986 -22.6666 -22.6666 -22.3701 -22.3701 -22.3508 -22.3508 -22.3500 -22.3500 -6.6568 -6.6538 -6.5880 -6.5839 -6.3331 -6.3320 -5.5792 -5.5708 -5.5555 -5.5516 -5.4358 -5.4333 -4.3110 -4.3107 -3.9753 -3.9752 -3.8927 -3.8901 -3.3808 -3.3806 -3.3720 -3.3689 -3.3350 -3.3275 -2.7320 -2.7148 -2.6923 -2.6894 -2.6808 -2.6632 -2.6057 -2.6036 -2.5530 -2.5362 -2.5224 -2.5069 9.7444 9.7463 9.8004 9.8017 9.8675 9.8684 10.2778 10.2780 10.5179 10.5179 k = 0.3409 0.5642 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9515 -22.9515 -22.6908 -22.6908 -22.6745 -22.6745 -22.3702 -22.3702 -22.3506 -22.3506 -22.3502 -22.3502 -6.6389 -6.6359 -6.6037 -6.5997 -6.3345 -6.3339 -5.5776 -5.5678 -5.5560 -5.5543 -5.4364 -5.4351 -4.3113 -4.3112 -3.9581 -3.9580 -3.9109 -3.9070 -3.3774 -3.3765 -3.3667 -3.3604 -3.3454 -3.3395 -2.7226 -2.7061 -2.6973 -2.6857 -2.6771 -2.6700 -2.6047 -2.6036 -2.5526 -2.5323 -2.5288 -2.5177 9.7791 9.7810 9.8123 9.8136 9.8455 9.8466 10.3294 10.3298 10.4442 10.4444 k = 0.3333 0.5774 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9515 -22.9515 -22.6826 -22.6826 -22.6826 -22.6826 -22.3702 -22.3702 -22.3504 -22.3504 -22.3504 -22.3504 -6.6210 -6.6210 -6.6208 -6.6142 -6.3348 -6.3348 -5.5770 -5.5665 -5.5558 -5.5558 -5.4362 -5.4362 -4.3114 -4.3114 -3.9484 -3.9484 -3.9214 -3.9163 -3.3752 -3.3752 -3.3636 -3.3517 -3.3503 -3.3503 -2.7177 -2.7018 -2.7018 -2.6861 -2.6732 -2.6732 -2.6040 -2.6040 -2.5528 -2.5300 -2.5300 -2.5235 9.8133 9.8133 9.8159 9.8159 9.8180 9.8200 10.3807 10.3815 10.3845 10.3845 k = 0.3333 0.5774 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9515 -22.9515 -22.6826 -22.6826 -22.6826 -22.6826 -22.3702 -22.3702 -22.3504 -22.3504 -22.3504 -22.3504 -6.6210 -6.6210 -6.6208 -6.6142 -6.3348 -6.3348 -5.5770 -5.5665 -5.5558 -5.5558 -5.4362 -5.4362 -4.3114 -4.3114 -3.9484 -3.9484 -3.9214 -3.9163 -3.3752 -3.3752 -3.3636 -3.3517 -3.3503 -3.3503 -2.7177 -2.7018 -2.7018 -2.6861 -2.6732 -2.6732 -2.6040 -2.6040 -2.5528 -2.5300 -2.5300 -2.5235 9.8133 9.8133 9.8159 9.8159 9.8180 9.8200 10.3807 10.3815 10.3845 10.3845 k = 0.3256 0.5639 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9516 -22.9516 -22.6913 -22.6913 -22.6740 -22.6740 -22.3702 -22.3702 -22.3506 -22.3506 -22.3502 -22.3502 -6.6398 -6.6372 -6.6025 -6.5988 -6.3345 -6.3340 -5.5775 -5.5679 -5.5553 -5.5550 -5.4365 -5.4350 -4.3113 -4.3112 -3.9592 -3.9573 -3.9109 -3.9066 -3.3802 -3.3756 -3.3645 -3.3607 -3.3444 -3.3405 -2.7226 -2.7061 -2.6977 -2.6849 -2.6755 -2.6729 -2.6047 -2.6033 -2.5518 -2.5328 -2.5268 -2.5194 9.7784 9.7793 9.8028 9.8033 9.8542 9.8562 10.3368 10.3375 10.4384 10.4388 k = 0.3178 0.5505 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9517 -22.9517 -22.7002 -22.7001 -22.6651 -22.6651 -22.3701 -22.3701 -22.3507 -22.3507 -22.3500 -22.3500 -6.6599 -6.6574 -6.5842 -6.5807 -6.3334 -6.3323 -5.5790 -5.5713 -5.5539 -5.5536 -5.4357 -5.4326 -4.3107 -4.3106 -3.9769 -3.9738 -3.8931 -3.8891 -3.3902 -3.3820 -3.3650 -3.3644 -3.3344 -3.3291 -2.7316 -2.7152 -2.6909 -2.6880 -2.6769 -2.6750 -2.6054 -2.6020 -2.5482 -2.5330 -2.5211 -2.5128 9.7336 9.7346 9.7726 9.7729 9.8945 9.8965 10.3120 10.3129 10.4953 10.4958 k = 0.3101 0.5371 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9519 -22.9519 -22.7093 -22.7093 -22.6559 -22.6559 -22.3700 -22.3700 -22.3508 -22.3508 -22.3498 -22.3498 -6.6810 -6.6788 -6.5662 -6.5627 -6.3316 -6.3300 -5.5811 -5.5756 -5.5528 -5.5518 -5.4339 -5.4291 -4.3097 -4.3095 -3.9952 -3.9913 -3.8743 -3.8703 -3.4015 -3.3927 -3.3656 -3.3640 -3.3228 -3.3170 -2.7416 -2.7266 -2.6966 -2.6859 -2.6838 -2.6727 -2.6056 -2.5995 -2.5418 -2.5293 -2.5138 -2.5054 9.6822 9.6834 9.7247 9.7248 9.9365 9.9385 10.3078 10.3091 10.5531 10.5537 k = 0.3023 0.5236 0.4554 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9522 -22.9522 -22.7186 -22.7186 -22.6465 -22.6465 -22.3698 -22.3698 -22.3508 -22.3508 -22.3495 -22.3495 -6.7029 -6.7010 -6.5484 -6.5449 -6.3292 -6.3270 -5.5839 -5.5805 -5.5520 -5.5503 -5.4309 -5.4244 -4.3080 -4.3078 -4.0131 -4.0086 -3.8554 -3.8512 -3.4134 -3.4046 -3.3658 -3.3640 -3.3103 -3.3042 -2.7523 -2.7399 -2.7068 -2.6960 -2.6800 -2.6717 -2.6048 -2.5955 -2.5336 -2.5224 -2.5054 -2.4975 9.6251 9.6262 9.6625 9.6626 9.9801 9.9821 10.3209 10.3223 10.6117 10.6124 k = 0.2946 0.5102 0.4554 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9526 -22.9526 -22.7281 -22.7281 -22.6368 -22.6368 -22.3696 -22.3696 -22.3507 -22.3507 -22.3492 -22.3492 -6.7255 -6.7239 -6.5310 -6.5276 -6.3262 -6.3236 -5.5872 -5.5858 -5.5516 -5.5493 -5.4266 -5.4186 -4.3058 -4.3055 -4.0302 -4.0251 -3.8366 -3.8323 -3.4255 -3.4168 -3.3662 -3.3645 -3.2969 -3.2907 -2.7640 -2.7554 -2.7169 -2.7083 -2.6773 -2.6724 -2.6026 -2.5903 -2.5242 -2.5134 -2.4961 -2.4891 9.5630 9.5642 9.5906 9.5908 10.0253 10.0273 10.3467 10.3482 10.6708 10.6715 k = 0.2868 0.4968 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9531 -22.9531 -22.7378 -22.7378 -22.6270 -22.6270 -22.3694 -22.3693 -22.3506 -22.3506 -22.3489 -22.3489 -6.7487 -6.7473 -6.5139 -6.5106 -6.3229 -6.3198 -5.5915 -5.5910 -5.5518 -5.5490 -5.4211 -5.4115 -4.3027 -4.3025 -4.0463 -4.0408 -3.8180 -3.8137 -3.4376 -3.4292 -3.3671 -3.3655 -3.2829 -3.2767 -2.7772 -2.7729 -2.7262 -2.7209 -2.6765 -2.6745 -2.5991 -2.5842 -2.5141 -2.5029 -2.4862 -2.4803 9.4968 9.4979 9.5129 9.5131 10.0721 10.0742 10.3815 10.3831 10.7302 10.7310 k = 0.2791 0.4834 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9537 -22.9537 -22.7476 -22.7476 -22.6170 -22.6170 -22.3690 -22.3690 -22.3504 -22.3504 -22.3486 -22.3486 -6.7723 -6.7711 -6.4973 -6.4941 -6.3192 -6.3157 -5.5977 -5.5953 -5.5527 -5.5493 -5.4143 -5.4032 -4.2989 -4.2986 -4.0612 -4.0553 -3.7998 -3.7955 -3.4499 -3.4416 -3.3684 -3.3670 -3.2683 -3.2623 -2.7920 -2.7920 -2.7348 -2.7327 -2.6778 -2.6773 -2.5943 -2.5774 -2.5037 -2.4916 -2.4756 -2.4712 9.4273 9.4283 9.4317 9.4321 10.1206 10.1227 10.4228 10.4245 10.7897 10.7905 k = 0.2713 0.4699 0.4554 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9544 -22.9544 -22.7576 -22.7576 -22.6068 -22.6068 -22.3687 -22.3687 -22.3502 -22.3502 -22.3483 -22.3483 -6.7964 -6.7953 -6.4812 -6.4782 -6.3152 -6.3114 -5.6043 -5.6002 -5.5544 -5.5505 -5.4063 -5.3939 -4.2941 -4.2939 -4.0748 -4.0686 -3.7820 -3.7777 -3.4622 -3.4542 -3.3701 -3.3690 -3.2532 -3.2477 -2.8121 -2.8087 -2.7435 -2.7427 -2.6818 -2.6794 -2.5887 -2.5702 -2.4932 -2.4798 -2.4646 -2.4618 9.3488 9.3491 9.3551 9.3562 10.1707 10.1727 10.4691 10.4708 10.8490 10.8499 k = 0.2636 0.4565 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9552 -22.9552 -22.7676 -22.7676 -22.5965 -22.5965 -22.3683 -22.3683 -22.3499 -22.3499 -22.3480 -22.3480 -6.8206 -6.8197 -6.4656 -6.4627 -6.3111 -6.3069 -5.6112 -5.6057 -5.5569 -5.5526 -5.3971 -5.3836 -4.2884 -4.2881 -4.0869 -4.0804 -3.7646 -3.7605 -3.4746 -3.4668 -3.3723 -3.3714 -3.2379 -3.2328 -2.8328 -2.8268 -2.7533 -2.7503 -2.6864 -2.6825 -2.5825 -2.5630 -2.4826 -2.4677 -2.4533 -2.4522 9.2653 9.2656 9.2809 9.2820 10.2224 10.2244 10.5193 10.5210 10.9081 10.9090 k = 0.2558 0.4431 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9561 -22.9561 -22.7776 -22.7776 -22.5861 -22.5861 -22.3679 -22.3679 -22.3495 -22.3495 -22.3477 -22.3477 -6.8451 -6.8443 -6.4505 -6.4478 -6.3067 -6.3022 -5.6186 -5.6116 -5.5604 -5.5556 -5.3869 -5.3723 -4.2817 -4.2813 -4.0975 -4.0907 -3.7477 -3.7438 -3.4870 -3.4795 -3.3750 -3.3742 -3.2226 -3.2181 -2.8540 -2.8460 -2.7622 -2.7577 -2.6913 -2.6861 -2.5759 -2.5557 -2.4721 -2.4555 -2.4424 -2.4417 9.1817 9.1821 9.2053 9.2064 10.2757 10.2777 10.5725 10.5742 10.9667 10.9676 k = 0.2481 0.4297 0.4554 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9570 -22.9570 -22.7877 -22.7877 -22.5757 -22.5757 -22.3674 -22.3674 -22.3491 -22.3491 -22.3474 -22.3474 -6.8696 -6.8690 -6.4358 -6.4334 -6.3023 -6.2974 -5.6263 -5.6181 -5.5648 -5.5595 -5.3756 -5.3601 -4.2739 -4.2734 -4.1062 -4.0993 -3.7312 -3.7277 -3.4995 -3.4922 -3.3780 -3.3774 -3.2072 -3.2035 -2.8753 -2.8660 -2.7706 -2.7650 -2.6964 -2.6901 -2.5693 -2.5485 -2.4616 -2.4433 -2.4323 -2.4299 9.0988 9.0991 9.1288 9.1298 10.3305 10.3326 10.6284 10.6301 11.0246 11.0256 k = 0.2403 0.4162 0.4554 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9581 -22.9581 -22.7978 -22.7978 -22.5652 -22.5652 -22.3669 -22.3669 -22.3486 -22.3486 -22.3471 -22.3471 -6.8942 -6.8937 -6.4217 -6.4195 -6.2976 -6.2925 -5.6344 -5.6251 -5.5703 -5.5645 -5.3635 -5.3472 -4.2649 -4.2643 -4.1132 -4.1061 -3.7153 -3.7122 -3.5119 -3.5049 -3.3813 -3.3809 -3.1921 -3.1892 -2.8966 -2.8863 -2.7787 -2.7723 -2.7014 -2.6942 -2.5626 -2.5414 -2.4511 -2.4313 -2.4220 -2.4180 9.0167 9.0171 9.0517 9.0527 10.3870 10.3890 10.6865 10.6882 11.0819 11.0829 k = 0.2326 0.4028 0.4554 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9592 -22.9592 -22.8078 -22.8078 -22.5546 -22.5546 -22.3664 -22.3664 -22.3480 -22.3480 -22.3468 -22.3468 -6.9188 -6.9184 -6.4079 -6.4061 -6.2929 -6.2874 -5.6429 -5.6326 -5.5767 -5.5706 -5.3506 -5.3337 -4.2548 -4.2541 -4.1182 -4.1110 -3.7000 -3.6973 -3.5243 -3.5175 -3.3851 -3.3848 -3.1775 -3.1755 -2.9178 -2.9068 -2.7867 -2.7798 -2.7063 -2.6983 -2.5559 -2.5344 -2.4406 -2.4194 -2.4114 -2.4062 8.9358 8.9362 8.9746 8.9755 10.4449 10.4470 10.7465 10.7482 11.1383 11.1394 k = 0.2248 0.3894 0.4554 ( 7610 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9603 -22.9603 -22.8178 -22.8178 -22.5441 -22.5441 -22.3659 -22.3659 -22.3474 -22.3474 -22.3465 -22.3465 -6.9433 -6.9429 -6.3946 -6.3931 -6.2880 -6.2823 -5.6517 -5.6407 -5.5842 -5.5777 -5.3371 -5.3196 -4.2435 -4.2426 -4.1212 -4.1140 -3.6851 -3.6829 -3.5366 -3.5301 -3.3891 -3.3889 -3.1635 -3.1626 -2.9386 -2.9272 -2.7949 -2.7875 -2.7110 -2.7022 -2.5494 -2.5276 -2.4302 -2.4078 -2.4005 -2.3943 8.8563 8.8567 8.8977 8.8986 10.5044 10.5064 10.8081 10.8098 11.1937 11.1948 k = 0.2171 0.3759 0.4554 ( 7618 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9616 -22.9616 -22.8277 -22.8277 -22.5336 -22.5336 -22.3653 -22.3653 -22.3467 -22.3467 -22.3462 -22.3462 -6.9677 -6.9673 -6.3817 -6.3805 -6.2830 -6.2770 -5.6610 -5.6492 -5.5928 -5.5859 -5.3231 -5.3052 -4.2311 -4.2299 -4.1222 -4.1149 -3.6708 -3.6692 -3.5489 -3.5426 -3.3934 -3.3933 -3.1507 -3.1504 -2.9591 -2.9474 -2.8032 -2.7956 -2.7152 -2.7057 -2.5430 -2.5210 -2.4198 -2.3966 -2.3894 -2.3826 8.7784 8.7787 8.8213 8.8222 10.5654 10.5674 10.8711 10.8728 11.2482 11.2493 k = 0.2093 0.3625 0.4554 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9628 -22.9628 -22.8376 -22.8376 -22.5232 -22.5232 -22.3647 -22.3647 -22.3460 -22.3460 -22.3459 -22.3459 -6.9918 -6.9915 -6.3692 -6.3683 -6.2779 -6.2717 -5.6707 -5.6583 -5.6025 -5.5952 -5.3087 -5.2904 -4.2174 -4.2160 -4.1212 -4.1139 -3.6570 -3.6560 -3.5610 -3.5549 -3.3980 -3.3980 -3.1399 -3.1385 -2.9791 -2.9673 -2.8119 -2.8041 -2.7189 -2.7088 -2.5367 -2.5146 -2.4095 -2.3857 -2.3781 -2.3710 8.7021 8.7025 8.7458 8.7466 10.6277 10.6297 10.9352 10.9368 11.3015 11.3027 k = 0.2016 0.3491 0.4554 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9642 -22.9642 -22.8472 -22.8472 -22.5128 -22.5128 -22.3641 -22.3641 -22.3456 -22.3456 -22.3452 -22.3452 -7.0157 -7.0155 -6.3569 -6.3564 -6.2726 -6.2662 -5.6807 -5.6678 -5.6131 -5.6055 -5.2940 -5.2754 -4.2026 -4.2009 -4.1182 -4.1109 -3.6437 -3.6434 -3.5730 -3.5671 -3.4029 -3.4029 -3.1305 -3.1280 -2.9984 -2.9866 -2.8211 -2.8132 -2.7220 -2.7113 -2.5306 -2.5083 -2.3992 -2.3749 -2.3668 -2.3595 8.6277 8.6280 8.6714 8.6721 10.6914 10.6934 11.0001 11.0017 11.3538 11.3549 k = 0.1938 0.3357 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9656 -22.9656 -22.8568 -22.8568 -22.5026 -22.5026 -22.3635 -22.3635 -22.3453 -22.3453 -22.3444 -22.3444 -7.0392 -7.0391 -6.3449 -6.3447 -6.2672 -6.2606 -5.6912 -5.6778 -5.6247 -5.6168 -5.2791 -5.2603 -4.1866 -4.1847 -4.1131 -4.1059 -3.6313 -3.6310 -3.5848 -3.5791 -3.4080 -3.4080 -3.1226 -3.1190 -3.0170 -3.0054 -2.8307 -2.8228 -2.7245 -2.7132 -2.5245 -2.5021 -2.3889 -2.3642 -2.3556 -2.3482 8.5552 8.5555 8.5982 8.5990 10.7564 10.7583 11.0654 11.0669 11.4048 11.4059 k = 0.1860 0.3222 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9670 -22.9670 -22.8661 -22.8661 -22.4925 -22.4925 -22.3629 -22.3629 -22.3450 -22.3450 -22.3435 -22.3435 -7.0624 -7.0623 -6.3333 -6.3330 -6.2617 -6.2548 -5.7020 -5.6883 -5.6373 -5.6291 -5.2641 -5.2453 -4.1696 -4.1674 -4.1061 -4.0989 -3.6198 -3.6187 -3.5964 -3.5909 -3.4132 -3.4132 -3.1165 -3.1120 -3.0347 -3.0235 -2.8410 -2.8330 -2.7261 -2.7144 -2.5186 -2.4961 -2.3787 -2.3537 -2.3444 -2.3371 8.4848 8.4851 8.5265 8.5273 10.8225 10.8244 11.1306 11.1320 11.4545 11.4557 k = 0.1783 0.3088 0.4554 ( 7630 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9684 -22.9684 -22.8753 -22.8753 -22.4826 -22.4826 -22.3623 -22.3623 -22.3448 -22.3448 -22.3426 -22.3426 -7.0852 -7.0851 -6.3220 -6.3213 -6.2560 -6.2489 -5.7132 -5.6992 -5.6507 -5.6423 -5.2491 -5.2303 -4.1515 -4.1492 -4.0972 -4.0902 -3.6087 -3.6077 -3.6070 -3.6024 -3.4186 -3.4186 -3.1122 -3.1073 -3.0511 -3.0408 -2.8519 -2.8439 -2.7269 -2.7148 -2.5128 -2.4902 -2.3685 -2.3432 -2.3335 -2.3262 8.4164 8.4167 8.4566 8.4573 10.8896 10.8915 11.1949 11.1962 11.5030 11.5042 k = 0.1705 0.2954 0.4554 ( 7644 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9699 -22.9699 -22.8842 -22.8842 -22.4729 -22.4729 -22.3617 -22.3617 -22.3445 -22.3445 -22.3417 -22.3417 -7.1075 -7.1074 -6.3108 -6.3098 -6.2500 -6.2427 -5.7248 -5.7106 -5.6650 -5.6563 -5.2341 -5.2155 -4.1326 -4.1300 -4.0866 -4.0796 -3.6188 -3.6138 -3.5981 -3.5954 -3.4242 -3.4240 -3.1098 -3.1056 -3.0657 -3.0572 -2.8635 -2.8554 -2.7269 -2.7146 -2.5071 -2.4844 -2.3583 -2.3327 -2.3228 -2.3156 8.3503 8.3506 8.3885 8.3892 10.9576 10.9594 11.2573 11.2585 11.5501 11.5512 k = 0.1628 0.2820 0.4554 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0641 -22.9713 -22.9713 -22.8929 -22.8929 -22.4634 -22.4634 -22.3610 -22.3610 -22.3443 -22.3443 -22.3408 -22.3408 -7.1292 -7.1292 -6.2997 -6.2982 -6.2439 -6.2364 -5.7367 -5.7224 -5.6799 -5.6710 -5.2194 -5.2009 -4.1128 -4.1100 -4.0742 -4.0674 -3.6296 -3.6248 -3.5880 -3.5844 -3.4297 -3.4295 -3.1095 -3.1079 -3.0773 -3.0725 -2.8759 -2.8677 -2.7261 -2.7137 -2.5015 -2.4786 -2.3482 -2.3224 -2.3124 -2.3053 8.2864 8.2867 8.3224 8.3231 11.0263 11.0281 11.3161 11.3171 11.5957 11.5969 k = 0.1550 0.2685 0.4554 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0641 -22.9728 -22.9728 -22.9013 -22.9013 -22.4541 -22.4541 -22.3604 -22.3604 -22.3441 -22.3440 -22.3398 -22.3398 -7.1504 -7.1504 -6.2886 -6.2867 -6.2375 -6.2299 -5.7490 -5.7347 -5.6955 -5.6865 -5.2049 -5.1867 -4.0923 -4.0893 -4.0603 -4.0537 -3.6401 -3.6355 -3.5783 -3.5738 -3.4352 -3.4348 -3.1152 -3.1115 -3.0865 -3.0851 -2.8890 -2.8808 -2.7247 -2.7122 -2.4958 -2.4730 -2.3381 -2.3121 -2.3022 -2.2952 8.2250 8.2252 8.2586 8.2592 11.0953 11.0971 11.3689 11.3697 11.6399 11.6411 k = 0.1473 0.2551 0.4554 ( 7640 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0641 -22.9742 -22.9742 -22.9095 -22.9095 -22.4451 -22.4451 -22.3598 -22.3598 -22.3438 -22.3438 -22.3389 -22.3389 -7.1710 -7.1709 -6.2775 -6.2752 -6.2309 -6.2231 -5.7616 -5.7473 -5.7116 -5.7024 -5.1907 -5.1728 -4.0713 -4.0682 -4.0451 -4.0387 -3.6502 -3.6458 -3.5689 -3.5635 -3.4407 -3.4401 -3.1258 -3.1164 -3.0985 -3.0905 -2.9029 -2.8946 -2.7226 -2.7102 -2.4902 -2.4674 -2.3281 -2.3020 -2.2924 -2.2855 8.1659 8.1662 8.1970 8.1976 11.1643 11.1660 11.4121 11.4127 11.6826 11.6837 k = 0.1395 0.2417 0.4554 ( 7642 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0641 -22.9757 -22.9757 -22.9173 -22.9173 -22.4364 -22.4364 -22.3592 -22.3592 -22.3436 -22.3436 -22.3379 -22.3379 -7.1908 -7.1908 -6.2663 -6.2636 -6.2240 -6.2160 -5.7745 -5.7603 -5.7282 -5.7189 -5.1768 -5.1593 -4.0498 -4.0466 -4.0285 -4.0224 -3.6600 -3.6558 -3.5598 -3.5535 -3.4459 -3.4451 -3.1376 -3.1245 -3.1081 -3.0956 -2.9176 -2.9092 -2.7201 -2.7078 -2.4846 -2.4619 -2.3182 -2.2921 -2.2829 -2.2761 8.1094 8.1097 8.1379 8.1384 11.2327 11.2344 11.4418 11.4421 11.7236 11.7247 k = 0.1318 0.2283 0.4554 ( 7644 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0641 -98.0640 -22.9771 -22.9771 -22.9249 -22.9249 -22.4280 -22.4280 -22.3586 -22.3586 -22.3435 -22.3434 -22.3370 -22.3370 -7.2099 -7.2099 -6.2550 -6.2520 -6.2168 -6.2086 -5.7877 -5.7737 -5.7451 -5.7358 -5.1633 -5.1464 -4.0280 -4.0248 -4.0110 -4.0052 -3.6694 -3.6654 -3.5510 -3.5437 -3.4508 -3.4498 -3.1495 -3.1347 -3.1163 -3.1015 -2.9331 -2.9244 -2.7173 -2.7053 -2.4790 -2.4565 -2.3084 -2.2824 -2.2738 -2.2670 8.0555 8.0557 8.0814 8.0818 11.2989 11.3006 11.4560 11.4561 11.7629 11.7641 k = 0.1240 0.2148 0.4554 ( 7642 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9785 -22.9785 -22.9320 -22.9320 -22.4200 -22.4200 -22.3581 -22.3581 -22.3433 -22.3433 -22.3361 -22.3361 -7.2282 -7.2282 -6.2436 -6.2402 -6.2093 -6.2010 -5.8012 -5.7875 -5.7624 -5.7531 -5.1503 -5.1339 -4.0061 -4.0031 -3.9925 -3.9871 -3.6783 -3.6745 -3.5425 -3.5341 -3.4554 -3.4540 -3.1610 -3.1454 -3.1245 -3.1085 -2.9493 -2.9404 -2.7142 -2.7026 -2.4735 -2.4513 -2.2987 -2.2730 -2.2649 -2.2584 8.0043 8.0045 8.0275 8.0279 11.3576 11.3592 11.4605 11.4605 11.8005 11.8016 k = 0.1163 0.2014 0.4554 ( 7646 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9798 -22.9798 -22.9389 -22.9389 -22.4123 -22.4123 -22.3575 -22.3575 -22.3431 -22.3431 -22.3352 -22.3352 -7.2457 -7.2457 -6.2321 -6.2283 -6.2014 -6.1930 -5.8150 -5.8016 -5.7797 -5.7705 -5.1377 -5.1220 -3.9843 -3.9815 -3.9733 -3.9684 -3.6868 -3.6833 -3.5341 -3.5247 -3.4593 -3.4576 -3.1720 -3.1559 -3.1334 -3.1166 -2.9662 -2.9570 -2.7112 -2.7000 -2.4679 -2.4462 -2.2892 -2.2640 -2.2564 -2.2501 7.9557 7.9559 7.9764 7.9768 11.3875 11.3887 11.4803 11.4807 11.8363 11.8374 k = 0.1085 0.1880 0.4554 ( 7634 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9811 -22.9811 -22.9453 -22.9453 -22.4050 -22.4050 -22.3570 -22.3570 -22.3430 -22.3430 -22.3343 -22.3343 -7.2623 -7.2623 -6.2204 -6.2162 -6.1931 -6.1846 -5.8290 -5.8160 -5.7972 -5.7881 -5.1257 -5.1107 -3.9626 -3.9602 -3.9535 -3.9493 -3.6948 -3.6915 -3.5258 -3.5154 -3.4624 -3.4604 -3.1825 -3.1661 -3.1430 -3.1257 -2.9838 -2.9741 -2.7081 -2.6974 -2.4624 -2.4412 -2.2800 -2.2554 -2.2483 -2.2422 7.9100 7.9102 7.9282 7.9286 11.3775 11.3783 11.5313 11.5320 11.8702 11.8712 k = 0.1008 0.1745 0.4554 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9823 -22.9823 -22.9514 -22.9514 -22.3981 -22.3981 -22.3565 -22.3565 -22.3428 -22.3428 -22.3334 -22.3334 -7.2780 -7.2780 -6.2086 -6.2040 -6.1845 -6.1759 -5.8432 -5.8308 -5.8146 -5.8059 -5.1143 -5.1000 -3.9414 -3.9396 -3.9336 -3.9301 -3.7024 -3.6993 -3.5175 -3.5062 -3.4647 -3.4623 -3.1925 -3.1758 -3.1533 -3.1357 -3.0019 -2.9918 -2.7052 -2.6951 -2.4570 -2.4365 -2.2710 -2.2474 -2.2404 -2.2347 7.8671 7.8673 7.8829 7.8833 11.3521 11.3527 11.5920 11.5928 11.9021 11.9031 k = 0.0930 0.1611 0.4554 ( 7628 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9835 -22.9835 -22.9571 -22.9571 -22.3917 -22.3917 -22.3560 -22.3560 -22.3427 -22.3427 -22.3326 -22.3326 -7.2927 -7.2927 -6.1965 -6.1916 -6.1755 -6.1668 -5.8576 -5.8460 -5.8319 -5.8236 -5.1035 -5.0901 -3.9208 -3.9195 -3.9138 -3.9110 -3.7094 -3.7066 -3.5092 -3.4970 -3.4657 -3.4630 -3.2022 -3.1853 -3.1641 -3.1466 -3.0204 -3.0098 -2.7024 -2.6929 -2.4517 -2.4320 -2.2624 -2.2400 -2.2329 -2.2277 7.8271 7.8273 7.8407 7.8410 11.3223 11.3229 11.6537 11.6544 11.9319 11.9329 k = 0.0853 0.1477 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9846 -22.9846 -22.9624 -22.9624 -22.3857 -22.3857 -22.3555 -22.3555 -22.3426 -22.3426 -22.3318 -22.3318 -7.3063 -7.3063 -6.1843 -6.1791 -6.1660 -6.1573 -5.8722 -5.8615 -5.8489 -5.8413 -5.0933 -5.0808 -3.9011 -3.9002 -3.8946 -3.8924 -3.7160 -3.7135 -3.5009 -3.4881 -3.4651 -3.4623 -3.2115 -3.1949 -3.1751 -3.1582 -3.0393 -3.0281 -2.6999 -2.6910 -2.4465 -2.4278 -2.2541 -2.2332 -2.2257 -2.2212 7.7901 7.7903 7.8016 7.8019 11.2917 11.2921 11.7138 11.7145 11.9597 11.9605 k = 0.0775 0.1343 0.4554 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9857 -22.9857 -22.9672 -22.9672 -22.3801 -22.3801 -22.3551 -22.3551 -22.3425 -22.3425 -22.3311 -22.3311 -7.3190 -7.3190 -6.1719 -6.1665 -6.1560 -6.1474 -5.8869 -5.8774 -5.8656 -5.8589 -5.0838 -5.0723 -3.8823 -3.8819 -3.8761 -3.8745 -3.7220 -3.7197 -3.4924 -3.4796 -3.4624 -3.4601 -3.2206 -3.2049 -3.1859 -3.1704 -3.0582 -3.0464 -2.6975 -2.6894 -2.4415 -2.4240 -2.2463 -2.2270 -2.2189 -2.2151 7.7562 7.7563 7.7656 7.7659 11.2617 11.2621 11.7715 11.7720 11.9852 11.9860 k = 0.0698 0.1208 0.4554 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9866 -22.9866 -22.9717 -22.9717 -22.3751 -22.3751 -22.3547 -22.3547 -22.3424 -22.3424 -22.3304 -22.3304 -7.3305 -7.3305 -6.1592 -6.1538 -6.1455 -6.1371 -5.9017 -5.8936 -5.8820 -5.8763 -5.0750 -5.0645 -3.8648 -3.8646 -3.8587 -3.8575 -3.7274 -3.7255 -3.4837 -3.4721 -3.4570 -3.4561 -3.2297 -3.2158 -3.1963 -3.1831 -3.0770 -3.0645 -2.6955 -2.6880 -2.4367 -2.4204 -2.2390 -2.2216 -2.2126 -2.2095 7.7253 7.7254 7.7330 7.7332 11.2333 11.2337 11.8258 11.8262 12.0085 12.0092 k = 0.0620 0.1074 0.4554 ( 7612 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9875 -22.9875 -22.9757 -22.9757 -22.3705 -22.3705 -22.3544 -22.3544 -22.3424 -22.3424 -22.3298 -22.3298 -7.3410 -7.3409 -6.1464 -6.1411 -6.1343 -6.1263 -5.9166 -5.9099 -5.8980 -5.8935 -5.0670 -5.0575 -3.8487 -3.8487 -3.8427 -3.8418 -3.7323 -3.7306 -3.4746 -3.4652 -3.4504 -3.4490 -3.2391 -3.2278 -3.2059 -3.1961 -3.0952 -3.0821 -2.6937 -2.6870 -2.4321 -2.4173 -2.2322 -2.2167 -2.2068 -2.2044 7.6975 7.6976 7.7036 7.7038 11.2071 11.2074 11.8761 11.8764 12.0295 12.0302 k = 0.0543 0.0940 0.4554 ( 7600 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9883 -22.9883 -22.9792 -22.9792 -22.3664 -22.3664 -22.3540 -22.3540 -22.3423 -22.3423 -22.3293 -22.3293 -7.3502 -7.3502 -6.1333 -6.1286 -6.1223 -6.1152 -5.9315 -5.9263 -5.9138 -5.9105 -5.0598 -5.0514 -3.8343 -3.8342 -3.8283 -3.8277 -3.7365 -3.7352 -3.4650 -3.4579 -3.4430 -3.4394 -3.2488 -3.2407 -3.2154 -3.2094 -3.1124 -3.0988 -2.6920 -2.6861 -2.4279 -2.4146 -2.2260 -2.2125 -2.2015 -2.1999 7.6729 7.6729 7.6775 7.6777 11.1834 11.1837 11.9218 11.9220 12.0481 12.0487 k = 0.0465 0.0806 0.4554 ( 7596 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9889 -22.9889 -22.9823 -22.9823 -22.3629 -22.3629 -22.3538 -22.3537 -22.3423 -22.3423 -22.3288 -22.3288 -7.3583 -7.3583 -6.1201 -6.1162 -6.1096 -6.1036 -5.9464 -5.9427 -5.9294 -5.9271 -5.0534 -5.0461 -3.8216 -3.8214 -3.8156 -3.8152 -3.7401 -3.7392 -3.4547 -3.4495 -3.4342 -3.4289 -3.2591 -3.2541 -3.2251 -3.2226 -3.1279 -3.1144 -2.6906 -2.6855 -2.4240 -2.4124 -2.2205 -2.2090 -2.1970 -2.1958 7.6515 7.6515 7.6549 7.6550 11.1625 11.1627 11.9621 11.9621 12.0644 12.0649 k = 0.0388 0.0671 0.4554 ( 7586 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9895 -22.9895 -22.9849 -22.9849 -22.3599 -22.3599 -22.3535 -22.3535 -22.3422 -22.3422 -22.3284 -22.3284 -7.3652 -7.3652 -6.1067 -6.1038 -6.0964 -6.0916 -5.9613 -5.9588 -5.9448 -5.9434 -5.0478 -5.0417 -3.8107 -3.8105 -3.8047 -3.8046 -3.7432 -3.7425 -3.4436 -3.4398 -3.4244 -3.4182 -3.2701 -3.2677 -3.2358 -3.2357 -3.1412 -3.1283 -2.6894 -2.6851 -2.4204 -2.4106 -2.2156 -2.2061 -2.1930 -2.1924 7.6333 7.6333 7.6356 7.6358 11.1446 11.1448 11.9962 11.9963 12.0782 12.0786 k = 0.0310 0.0537 0.4554 ( 7582 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9900 -22.9900 -22.9870 -22.9870 -22.3574 -22.3574 -22.3533 -22.3533 -22.3422 -22.3422 -22.3280 -22.3280 -7.3708 -7.3708 -6.0932 -6.0912 -6.0829 -6.0793 -5.9762 -5.9746 -5.9600 -5.9593 -5.0431 -5.0382 -3.8018 -3.8016 -3.7960 -3.7959 -3.7456 -3.7452 -3.4319 -3.4289 -3.4139 -3.4078 -3.2815 -3.2809 -3.2487 -3.2472 -3.1516 -3.1402 -2.6884 -2.6849 -2.4173 -2.4093 -2.2114 -2.2039 -2.1898 -2.1895 7.6184 7.6184 7.6199 7.6200 11.1298 11.1299 12.0229 12.0232 12.0895 12.0899 k = 0.0233 0.0403 0.4554 ( 7582 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9904 -22.9904 -22.9887 -22.9887 -22.3554 -22.3554 -22.3531 -22.3531 -22.3422 -22.3422 -22.3277 -22.3277 -7.3753 -7.3753 -6.0795 -6.0784 -6.0692 -6.0668 -5.9908 -5.9900 -5.9748 -5.9746 -5.0393 -5.0355 -3.7948 -3.7947 -3.7892 -3.7891 -3.7474 -3.7472 -3.4199 -3.4174 -3.4036 -3.3984 -3.2932 -3.2929 -3.2608 -3.2591 -3.1591 -3.1500 -2.6875 -2.6849 -2.4146 -2.4085 -2.2079 -2.2024 -2.1873 -2.1872 7.6067 7.6068 7.6076 7.6077 11.1182 11.1183 12.0414 12.0418 12.0982 12.0986 k = 0.0155 0.0269 0.4554 ( 7578 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9907 -22.9907 -22.9899 -22.9899 -22.3541 -22.3541 -22.3530 -22.3530 -22.3422 -22.3422 -22.3275 -22.3275 -7.3784 -7.3784 -6.0659 -6.0653 -6.0559 -6.0545 -6.0052 -6.0049 -5.9890 -5.9890 -5.0363 -5.0338 -3.7899 -3.7898 -3.7844 -3.7842 -3.7486 -3.7486 -3.4083 -3.4061 -3.3947 -3.3912 -3.3035 -3.3031 -3.2714 -3.2704 -3.1637 -3.1574 -2.6868 -2.6850 -2.4123 -2.4083 -2.2052 -2.2015 -2.1856 -2.1855 7.5984 7.5984 7.5988 7.5989 11.1099 11.1099 12.0515 12.0518 12.1038 12.1040 k = 0.0078 0.0134 0.4554 ( 7574 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9908 -22.9908 -22.9906 -22.9906 -22.3532 -22.3532 -22.3530 -22.3530 -22.3422 -22.3422 -22.3274 -22.3274 -7.3803 -7.3803 -6.0527 -6.0526 -6.0441 -6.0434 -6.0185 -6.0185 -6.0016 -6.0015 -5.0343 -5.0331 -3.7870 -3.7870 -3.7815 -3.7814 -3.7493 -3.7493 -3.3983 -3.3965 -3.3892 -3.3879 -3.3106 -3.3105 -3.2791 -3.2788 -3.1657 -3.1625 -2.6861 -2.6853 -2.4105 -2.4085 -2.2032 -2.2013 -2.1845 -2.1845 7.5934 7.5934 7.5935 7.5936 11.1049 11.1049 12.0557 12.0559 12.1077 12.1078 k = 0.0000 0.0000 0.4554 ( 7576 PWs) bands (ev): -98.0643 -98.0643 -98.0643 -98.0643 -98.0640 -98.0640 -22.9909 -22.9909 -22.9909 -22.9909 -22.3529 -22.3529 -22.3529 -22.3529 -22.3422 -22.3422 -22.3274 -22.3274 -7.3810 -7.3810 -6.0442 -6.0442 -6.0390 -6.0390 -6.0259 -6.0259 -6.0079 -6.0079 -5.0332 -5.0332 -3.7860 -3.7860 -3.7805 -3.7805 -3.7495 -3.7495 -3.3924 -3.3924 -3.3882 -3.3882 -3.3132 -3.3132 -3.2820 -3.2820 -3.1652 -3.1652 -2.6856 -2.6856 -2.4093 -2.4093 -2.2019 -2.2019 -2.1841 -2.1841 7.5917 7.5917 7.5918 7.5918 11.1032 11.1032 12.0568 12.0568 12.1092 12.1092 k = 0.5000 0.2887 0.4554 ( 7628 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9587 -22.9587 -22.7778 -22.7778 -22.5872 -22.5872 -22.3671 -22.3671 -22.3491 -22.3491 -22.3446 -22.3446 -6.8746 -6.8746 -6.5204 -6.5204 -6.1846 -6.1846 -5.6484 -5.6484 -5.5109 -5.5109 -5.3749 -5.3749 -4.2881 -4.2881 -4.2311 -4.2311 -3.5627 -3.5627 -3.5499 -3.5499 -3.3990 -3.3990 -3.0650 -3.0650 -2.9757 -2.9757 -2.8974 -2.8974 -2.6507 -2.6507 -2.5362 -2.5362 -2.5092 -2.5092 -2.3363 -2.3363 9.3953 9.3953 9.5084 9.5084 9.7244 9.7244 9.7281 9.7281 11.9299 11.9299 k = 0.5000 0.2887 0.4402 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9588 -22.9588 -22.7778 -22.7778 -22.5871 -22.5871 -22.3670 -22.3670 -22.3491 -22.3491 -22.3446 -22.3446 -6.8753 -6.8750 -6.5208 -6.5204 -6.1840 -6.1834 -5.6540 -5.6491 -5.5095 -5.5048 -5.3754 -5.3751 -4.2880 -4.2875 -4.2311 -4.2308 -3.5626 -3.5623 -3.5516 -3.5494 -3.3994 -3.3992 -3.0678 -3.0647 -2.9756 -2.9755 -2.8970 -2.8957 -2.6527 -2.6523 -2.5367 -2.5355 -2.5087 -2.5079 -2.3360 -2.3356 9.3795 9.3802 9.4864 9.4868 9.7431 9.7438 9.7482 9.7489 11.9283 11.9287 k = 0.5000 0.2887 0.4250 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9590 -22.9590 -22.7779 -22.7779 -22.5868 -22.5868 -22.3669 -22.3669 -22.3491 -22.3491 -22.3447 -22.3447 -6.8769 -6.8764 -6.5214 -6.5206 -6.1817 -6.1805 -5.6645 -5.6558 -5.5007 -5.4926 -5.3764 -5.3758 -4.2871 -4.2862 -4.2308 -4.2303 -3.5622 -3.5615 -3.5544 -3.5501 -3.4003 -3.3999 -3.0729 -3.0670 -2.9751 -2.9749 -2.8947 -2.8921 -2.6581 -2.6572 -2.5374 -2.5351 -2.5064 -2.5049 -2.3349 -2.3340 9.3397 9.3408 9.4374 9.4380 9.7837 9.7852 9.8028 9.8036 11.9239 11.9246 k = 0.5000 0.2887 0.4099 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9593 -22.9593 -22.7780 -22.7780 -22.5863 -22.5863 -22.3668 -22.3668 -22.3491 -22.3491 -22.3450 -22.3450 -6.8796 -6.8788 -6.5223 -6.5211 -6.1777 -6.1760 -5.6778 -5.6667 -5.4866 -5.4762 -5.3780 -5.3771 -4.2854 -4.2841 -4.2303 -4.2295 -3.5618 -3.5613 -3.5574 -3.5514 -3.4018 -3.4011 -3.0800 -3.0716 -2.9743 -2.9741 -2.8906 -2.8871 -2.6661 -2.6649 -2.5389 -2.5356 -2.5022 -2.5000 -2.3329 -2.3316 9.2868 9.2880 9.3792 9.3798 9.8385 9.8404 9.8706 9.8716 11.9168 11.9177 k = 0.5000 0.2887 0.3947 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9597 -22.9597 -22.7782 -22.7782 -22.5855 -22.5855 -22.3666 -22.3666 -22.3491 -22.3491 -22.3453 -22.3453 -6.8831 -6.8822 -6.5235 -6.5219 -6.1720 -6.1698 -5.6926 -5.6800 -5.4688 -5.4572 -5.3802 -5.3790 -4.2831 -4.2813 -4.2295 -4.2285 -3.5653 -3.5626 -3.5568 -3.5524 -3.4038 -3.4029 -3.0888 -3.0782 -2.9732 -2.9731 -2.8851 -2.8810 -2.6763 -2.6747 -2.5416 -2.5375 -2.4961 -2.4935 -2.3300 -2.3283 9.2277 9.2290 9.3185 9.3191 9.9003 9.9024 9.9447 9.9458 11.9045 11.9058 k = 0.5000 0.2887 0.3795 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9602 -22.9602 -22.7784 -22.7784 -22.5846 -22.5846 -22.3663 -22.3663 -22.3491 -22.3491 -22.3456 -22.3456 -6.8875 -6.8864 -6.5249 -6.5231 -6.1648 -6.1621 -5.7080 -5.6944 -5.4488 -5.4365 -5.3829 -5.3813 -4.2800 -4.2778 -4.2284 -4.2272 -3.5718 -3.5658 -3.5544 -3.5516 -3.4063 -3.4051 -3.0988 -3.0864 -2.9719 -2.9719 -2.8785 -2.8740 -2.6879 -2.6860 -2.5454 -2.5406 -2.4888 -2.4860 -2.3262 -2.3242 9.1659 9.1672 9.2580 9.2585 9.9655 9.9678 10.0225 10.0237 11.8805 11.8821 k = 0.5000 0.2887 0.3643 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9609 -22.9609 -22.7787 -22.7787 -22.5835 -22.5835 -22.3660 -22.3660 -22.3492 -22.3492 -22.3461 -22.3461 -6.8927 -6.8914 -6.5267 -6.5244 -6.1561 -6.1529 -5.7233 -5.7092 -5.4274 -5.4150 -5.3862 -5.3841 -4.2763 -4.2737 -4.2270 -4.2256 -3.5794 -3.5710 -3.5513 -3.5492 -3.4092 -3.4079 -3.1099 -3.0960 -2.9707 -2.9705 -2.8712 -2.8666 -2.7005 -2.6982 -2.5503 -2.5449 -2.4808 -2.4779 -2.3217 -2.3194 9.1033 9.1045 9.1985 9.1990 10.0319 10.0345 10.1029 10.1042 11.8535 11.8554 k = 0.5000 0.2887 0.3491 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9616 -22.9616 -22.7790 -22.7790 -22.5821 -22.5821 -22.3656 -22.3656 -22.3492 -22.3492 -22.3466 -22.3466 -6.8985 -6.8971 -6.5286 -6.5261 -6.1460 -6.1424 -5.7382 -5.7238 -5.4058 -5.3956 -5.3894 -5.3847 -4.2719 -4.2688 -4.2252 -4.2236 -3.5880 -3.5776 -3.5477 -3.5459 -3.4127 -3.4111 -3.1217 -3.1066 -2.9696 -2.9690 -2.8635 -2.8590 -2.7136 -2.7108 -2.5561 -2.5502 -2.4725 -2.4695 -2.3164 -2.3139 9.0410 9.0421 9.1406 9.1411 10.0985 10.1012 10.1853 10.1867 11.8245 11.8267 k = 0.5000 0.2887 0.3340 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9624 -22.9624 -22.7793 -22.7793 -22.5807 -22.5807 -22.3652 -22.3652 -22.3493 -22.3493 -22.3472 -22.3472 -6.9049 -6.9033 -6.5308 -6.5280 -6.1346 -6.1306 -5.7526 -5.7380 -5.3970 -5.3945 -5.3799 -5.3672 -4.2668 -4.2634 -4.2231 -4.2214 -3.5973 -3.5852 -3.5435 -3.5420 -3.4165 -3.4148 -3.1342 -3.1181 -2.9688 -2.9677 -2.8556 -2.8514 -2.7269 -2.7237 -2.5628 -2.5563 -2.4642 -2.4611 -2.3104 -2.3077 8.9794 8.9805 9.0846 9.0851 10.1644 10.1673 10.2692 10.2708 11.7943 11.7966 k = 0.5000 0.2887 0.3188 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9633 -22.9633 -22.7797 -22.7797 -22.5791 -22.5791 -22.3647 -22.3647 -22.3493 -22.3493 -22.3479 -22.3479 -6.9117 -6.9101 -6.5332 -6.5302 -6.1220 -6.1176 -5.7662 -5.7516 -5.4016 -5.3991 -5.3573 -5.3444 -4.2613 -4.2574 -4.2206 -4.2188 -3.6072 -3.5935 -3.5389 -3.5374 -3.4208 -3.4190 -3.1473 -3.1302 -2.9683 -2.9667 -2.8477 -2.8439 -2.7402 -2.7364 -2.5701 -2.5632 -2.4560 -2.4529 -2.3039 -2.3010 8.9192 8.9203 9.0307 9.0312 10.2288 10.2319 10.3544 10.3561 11.7634 11.7660 k = 0.5000 0.2887 0.3036 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9643 -22.9643 -22.7801 -22.7801 -22.5773 -22.5773 -22.3642 -22.3642 -22.3494 -22.3494 -22.3487 -22.3487 -6.9189 -6.9172 -6.5359 -6.5326 -6.1084 -6.1036 -5.7790 -5.7646 -5.4076 -5.4047 -5.3340 -5.3211 -4.2552 -4.2508 -4.2177 -4.2158 -3.6174 -3.6023 -3.5338 -3.5324 -3.4254 -3.4235 -3.1609 -3.1431 -2.9685 -2.9662 -2.8400 -2.8366 -2.7530 -2.7485 -2.5781 -2.5707 -2.4481 -2.4450 -2.2968 -2.2938 8.8607 8.8616 8.9790 8.9794 10.2914 10.2946 10.4404 10.4422 11.7326 11.7354 k = 0.5000 0.2887 0.2884 ( 7622 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9653 -22.9653 -22.7806 -22.7806 -22.5754 -22.5754 -22.3637 -22.3637 -22.3495 -22.3495 -22.3494 -22.3494 -6.9264 -6.9246 -6.5387 -6.5353 -6.0938 -6.0887 -5.7910 -5.7767 -5.4143 -5.4112 -5.3106 -5.2980 -4.2487 -4.2439 -4.2144 -4.2125 -3.6278 -3.6113 -3.5284 -3.5270 -3.4304 -3.4283 -3.1750 -3.1565 -2.9694 -2.9665 -2.8325 -2.8296 -2.7650 -2.7599 -2.5866 -2.5787 -2.4407 -2.4375 -2.2892 -2.2862 8.8040 8.8049 8.9296 8.9299 10.3516 10.3549 10.5269 10.5290 11.7024 11.7054 k = 0.5000 0.2887 0.2732 ( 7626 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9664 -22.9664 -22.7810 -22.7810 -22.5735 -22.5735 -22.3631 -22.3631 -22.3503 -22.3503 -22.3495 -22.3495 -6.9340 -6.9322 -6.5416 -6.5381 -6.0784 -6.0730 -5.8021 -5.7880 -5.4218 -5.4184 -5.2874 -5.2750 -4.2418 -4.2366 -4.2107 -4.2088 -3.6381 -3.6204 -3.5226 -3.5212 -3.4357 -3.4335 -3.1895 -3.1705 -2.9714 -2.9677 -2.8254 -2.8231 -2.7760 -2.7702 -2.5954 -2.5871 -2.4336 -2.4304 -2.2814 -2.2783 8.7494 8.7502 8.8825 8.8828 10.4090 10.4125 10.6136 10.6159 11.6732 11.6764 k = 0.5000 0.2887 0.2581 ( 7624 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9675 -22.9675 -22.7815 -22.7815 -22.5715 -22.5715 -22.3626 -22.3626 -22.3512 -22.3512 -22.3496 -22.3496 -6.9416 -6.9399 -6.5447 -6.5411 -6.0622 -6.0565 -5.8123 -5.7985 -5.4301 -5.4264 -5.2645 -5.2524 -4.2348 -4.2292 -4.2066 -4.2048 -3.6482 -3.6293 -3.5164 -3.5150 -3.4412 -3.4390 -3.2045 -3.1851 -2.9747 -2.9702 -2.8186 -2.8169 -2.7856 -2.7790 -2.6045 -2.5959 -2.4271 -2.4238 -2.2732 -2.2701 8.6970 8.6978 8.8378 8.8381 10.4632 10.4668 10.7000 10.7025 11.6456 11.6491 k = 0.5000 0.2887 0.2429 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9686 -22.9686 -22.7820 -22.7820 -22.5694 -22.5694 -22.3620 -22.3620 -22.3521 -22.3521 -22.3497 -22.3497 -6.9493 -6.9475 -6.5478 -6.5442 -6.0453 -6.0395 -5.8215 -5.8081 -5.4390 -5.4350 -5.2421 -5.2303 -4.2275 -4.2216 -4.2022 -4.2003 -3.6576 -3.6377 -3.5100 -3.5086 -3.4469 -3.4446 -3.2200 -3.2002 -2.9794 -2.9741 -2.8122 -2.8111 -2.7935 -2.7863 -2.6138 -2.6048 -2.4210 -2.4178 -2.2649 -2.2619 8.6470 8.6478 8.7955 8.7957 10.5141 10.5178 10.7855 10.7883 11.6201 11.6239 k = 0.5000 0.2887 0.2277 ( 7632 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9697 -22.9697 -22.7824 -22.7824 -22.5673 -22.5673 -22.3613 -22.3613 -22.3531 -22.3531 -22.3498 -22.3498 -6.9568 -6.9551 -6.5511 -6.5475 -6.0279 -6.0219 -5.8299 -5.8170 -5.4487 -5.4444 -5.2203 -5.2089 -4.2203 -4.2141 -4.1973 -4.1955 -3.6663 -3.6454 -3.5033 -3.5019 -3.4527 -3.4505 -3.2359 -3.2159 -2.9856 -2.9797 -2.8063 -2.8058 -2.7996 -2.7919 -2.6232 -2.6139 -2.4155 -2.4123 -2.2566 -2.2536 8.5996 8.6003 8.7556 8.7559 10.5612 10.5650 10.8692 10.8724 11.5975 11.6016 k = 0.5000 0.2887 0.2125 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9708 -22.9708 -22.7829 -22.7829 -22.5652 -22.5652 -22.3607 -22.3607 -22.3540 -22.3540 -22.3499 -22.3499 -6.9642 -6.9625 -6.5543 -6.5508 -6.0101 -6.0039 -5.8374 -5.8250 -5.4589 -5.4545 -5.1992 -5.1882 -4.2132 -4.2069 -4.1922 -4.1904 -3.6739 -3.6522 -3.4965 -3.4951 -3.4586 -3.4564 -3.2523 -3.2321 -2.9932 -2.9868 -2.8044 -2.8012 -2.8002 -2.7955 -2.6325 -2.6230 -2.4104 -2.4073 -2.2483 -2.2454 8.5548 8.5554 8.7183 8.7185 10.6045 10.6083 10.9501 10.9537 11.5786 11.5831 k = 0.5000 0.2887 0.1973 ( 7612 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9718 -22.9718 -22.7834 -22.7834 -22.5631 -22.5631 -22.3601 -22.3601 -22.3550 -22.3550 -22.3500 -22.3500 -6.9713 -6.9697 -6.5575 -6.5541 -5.9919 -5.9856 -5.8440 -5.8322 -5.4699 -5.4652 -5.1790 -5.1684 -4.2063 -4.2000 -4.1869 -4.1849 -3.6803 -3.6578 -3.4896 -3.4882 -3.4644 -3.4622 -3.2691 -3.2489 -3.0021 -2.9955 -2.8067 -2.7995 -2.7952 -2.7951 -2.6417 -2.6320 -2.4058 -2.4028 -2.2401 -2.2373 8.5127 8.5133 8.6835 8.6837 10.6438 10.6476 11.0266 11.0307 11.5648 11.5698 k = 0.5000 0.2887 0.1822 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9729 -22.9729 -22.7839 -22.7839 -22.5610 -22.5610 -22.3594 -22.3594 -22.3560 -22.3559 -22.3502 -22.3502 -6.9781 -6.9765 -6.5607 -6.5574 -5.9735 -5.9672 -5.8499 -5.8386 -5.4814 -5.4765 -5.1596 -5.1496 -4.1998 -4.1937 -4.1814 -4.1792 -3.6851 -3.6621 -3.4830 -3.4818 -3.4698 -3.4675 -3.2864 -3.2661 -3.0120 -3.0052 -2.8078 -2.8001 -2.7914 -2.7905 -2.6506 -2.6407 -2.4018 -2.3988 -2.2321 -2.2295 8.4734 8.4739 8.6511 8.6513 10.6791 10.6828 11.0964 11.1010 11.5581 11.5636 k = 0.5000 0.2887 0.1670 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9739 -22.9739 -22.7843 -22.7843 -22.5590 -22.5590 -22.3588 -22.3588 -22.3569 -22.3569 -22.3503 -22.3503 -6.9845 -6.9831 -6.5638 -6.5606 -5.9550 -5.9486 -5.8549 -5.8444 -5.4935 -5.4884 -5.1413 -5.1318 -4.1937 -4.1879 -4.1758 -4.1735 -3.6882 -3.6649 -3.4795 -3.4787 -3.4719 -3.4693 -3.3040 -3.2838 -3.0226 -3.0159 -2.8076 -2.8001 -2.7877 -2.7861 -2.6592 -2.6493 -2.3982 -2.3953 -2.2244 -2.2220 8.4370 8.4374 8.6214 8.6215 10.7105 10.7141 11.1565 11.1614 11.5613 11.5671 k = 0.5000 0.2887 0.1518 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9748 -22.9748 -22.7847 -22.7847 -22.5571 -22.5571 -22.3582 -22.3582 -22.3578 -22.3578 -22.3505 -22.3505 -6.9905 -6.9892 -6.5668 -6.5638 -5.9365 -5.9302 -5.8593 -5.8494 -5.5060 -5.5008 -5.1242 -5.1153 -4.1880 -4.1827 -4.1704 -4.1679 -3.6895 -3.6660 -3.4833 -3.4823 -3.4665 -3.4644 -3.3218 -3.3018 -3.0337 -3.0271 -2.8065 -2.7994 -2.7842 -2.7820 -2.6673 -2.6575 -2.3950 -2.3923 -2.2171 -2.2149 8.4035 8.4039 8.5942 8.5943 10.7380 10.7414 11.2037 11.2087 11.5771 11.5830 k = 0.5000 0.2887 0.1366 ( 7616 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9757 -22.9757 -22.7851 -22.7851 -22.5553 -22.5553 -22.3587 -22.3587 -22.3576 -22.3576 -22.3506 -22.3506 -6.9961 -6.9949 -6.5695 -6.5668 -5.9181 -5.9120 -5.8629 -5.8537 -5.5188 -5.5135 -5.1082 -5.1001 -4.1830 -4.1782 -4.1651 -4.1625 -3.6889 -3.6654 -3.4884 -3.4875 -3.4598 -3.4578 -3.3398 -3.3201 -3.0448 -3.0386 -2.8047 -2.7981 -2.7810 -2.7784 -2.6749 -2.6652 -2.3923 -2.3897 -2.2103 -2.2083 8.3731 8.3735 8.5695 8.5696 10.7618 10.7651 11.2363 11.2410 11.6069 11.6123 k = 0.5000 0.2887 0.1214 ( 7610 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9766 -22.9765 -22.7855 -22.7855 -22.5536 -22.5536 -22.3595 -22.3595 -22.3570 -22.3570 -22.3508 -22.3508 -7.0012 -7.0001 -6.5721 -6.5696 -5.9003 -5.8946 -5.8656 -5.8570 -5.5319 -5.5266 -5.0936 -5.0862 -4.1785 -4.1742 -4.1601 -4.1575 -3.6864 -3.6632 -3.4934 -3.4927 -3.4530 -3.4511 -3.3577 -3.3385 -3.0557 -3.0499 -2.8024 -2.7965 -2.7780 -2.7750 -2.6820 -2.6725 -2.3899 -2.3875 -2.2040 -2.2022 8.3457 8.3460 8.5474 8.5475 10.7822 10.7852 11.2555 11.2596 11.6485 11.6531 k = 0.5000 0.2887 0.1063 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9773 -22.9773 -22.7858 -22.7858 -22.5520 -22.5520 -22.3603 -22.3603 -22.3564 -22.3564 -22.3510 -22.3510 -7.0057 -7.0048 -6.5745 -6.5722 -5.8840 -5.8790 -5.8667 -5.8584 -5.5450 -5.5397 -5.0805 -5.0738 -4.1747 -4.1709 -4.1555 -4.1529 -3.6820 -3.6595 -3.4980 -3.4976 -3.4464 -3.4446 -3.3753 -3.3569 -3.0661 -3.0608 -2.8000 -2.7947 -2.7753 -2.7721 -2.6883 -2.6793 -2.3879 -2.3857 -2.1983 -2.1967 8.3214 8.3217 8.5279 8.5280 10.7993 10.8021 11.2650 11.2682 11.6502 11.6531 k = 0.5000 0.2887 0.0911 ( 7596 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9780 -22.9779 -22.7861 -22.7861 -22.5506 -22.5506 -22.3610 -22.3610 -22.3559 -22.3559 -22.3513 -22.3513 -7.0097 -7.0089 -6.5765 -6.5746 -5.8751 -5.8706 -5.8606 -5.8530 -5.5579 -5.5527 -5.0688 -5.0629 -4.1715 -4.1682 -4.1512 -4.1489 -3.6760 -3.6545 -3.5022 -3.5022 -3.4402 -3.4386 -3.3924 -3.3749 -3.0758 -3.0710 -2.7974 -2.7929 -2.7728 -2.7695 -2.6939 -2.6855 -2.3861 -2.3842 -2.1932 -2.1918 8.3003 8.3006 8.5110 8.5111 10.8135 10.8160 11.2683 11.2709 11.6458 11.6483 k = 0.5000 0.2887 0.0759 ( 7596 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9785 -22.9785 -22.7864 -22.7864 -22.5495 -22.5494 -22.3616 -22.3616 -22.3554 -22.3554 -22.3515 -22.3515 -7.0131 -7.0124 -6.5783 -6.5766 -5.8746 -5.8702 -5.8466 -5.8402 -5.5703 -5.5654 -5.0586 -5.0537 -4.1690 -4.1662 -4.1474 -4.1454 -3.6687 -3.6486 -3.5062 -3.5059 -3.4346 -3.4331 -3.4084 -3.3922 -3.0844 -3.0803 -2.7950 -2.7912 -2.7706 -2.7673 -2.6986 -2.6910 -2.3847 -2.3831 -2.1888 -2.1877 8.2824 8.2826 8.4967 8.4968 10.8251 10.8271 11.2683 11.2702 11.6423 11.6445 k = 0.5000 0.2887 0.0607 ( 7596 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9790 -22.9790 -22.7866 -22.7866 -22.5484 -22.5484 -22.3621 -22.3621 -22.3549 -22.3549 -22.3518 -22.3518 -7.0159 -7.0154 -6.5797 -6.5784 -5.8752 -5.8716 -5.8323 -5.8269 -5.5817 -5.5773 -5.0502 -5.0461 -4.1670 -4.1647 -4.1442 -4.1425 -3.6605 -3.6426 -3.5097 -3.5091 -3.4296 -3.4284 -3.4228 -3.4085 -3.0918 -3.0884 -2.7928 -2.7897 -2.7686 -2.7656 -2.7024 -2.6958 -2.3836 -2.3822 -2.1852 -2.1842 8.2677 8.2679 8.4850 8.4851 10.8342 10.8359 11.2667 11.2681 11.6396 11.6414 k = 0.5000 0.2887 0.0455 ( 7602 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9794 -22.9794 -22.7868 -22.7868 -22.5477 -22.5477 -22.3625 -22.3625 -22.3544 -22.3544 -22.3521 -22.3521 -7.0181 -7.0177 -6.5808 -6.5798 -5.8758 -5.8730 -5.8197 -5.8153 -5.5916 -5.5879 -5.0434 -5.0403 -4.1655 -4.1638 -4.1415 -4.1402 -3.6520 -3.6371 -3.5124 -3.5116 -3.4348 -3.4256 -3.4245 -3.4230 -3.0978 -3.0951 -2.7909 -2.7886 -2.7668 -2.7643 -2.7052 -2.7000 -2.3826 -2.3816 -2.1822 -2.1815 8.2563 8.2564 8.4759 8.4759 10.8410 10.8423 11.2647 11.2657 11.6377 11.6390 k = 0.5000 0.2887 0.0304 ( 7610 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9796 -22.9796 -22.7869 -22.7869 -22.5471 -22.5471 -22.3628 -22.3628 -22.3539 -22.3539 -22.3524 -22.3524 -7.0197 -7.0194 -6.5816 -6.5809 -5.8761 -5.8742 -5.8095 -5.8064 -5.5992 -5.5965 -5.0384 -5.0363 -4.1644 -4.1633 -4.1395 -4.1386 -3.6439 -3.6331 -3.5144 -3.5136 -3.4437 -3.4352 -3.4224 -3.4217 -3.1020 -3.1002 -2.7894 -2.7879 -2.7654 -2.7635 -2.7069 -2.7033 -2.3820 -2.3813 -2.1801 -2.1796 8.2481 8.2482 8.4694 8.4694 10.8459 10.8468 11.2629 11.2635 11.6364 11.6373 k = 0.5000 0.2887 0.0152 ( 7610 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9798 -22.9798 -22.7870 -22.7870 -22.5467 -22.5467 -22.3629 -22.3629 -22.3535 -22.3535 -22.3527 -22.3527 -7.0206 -7.0204 -6.5820 -6.5817 -5.8761 -5.8751 -5.8026 -5.8009 -5.6039 -5.6024 -5.0351 -5.0341 -4.1637 -4.1631 -4.1382 -4.1378 -3.6373 -3.6315 -3.5154 -3.5149 -3.4484 -3.4440 -3.4204 -3.4201 -3.1044 -3.1035 -2.7883 -2.7876 -2.7643 -2.7633 -2.7076 -2.7057 -2.3815 -2.3811 -2.1788 -2.1785 8.2432 8.2432 8.4655 8.4655 10.8488 10.8493 11.2617 11.2620 11.6358 11.6363 k = 0.5000 0.2887-0.0000 ( 7610 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9798 -22.9798 -22.7870 -22.7870 -22.5466 -22.5466 -22.3630 -22.3630 -22.3532 -22.3532 -22.3531 -22.3531 -7.0208 -7.0208 -6.5820 -6.5820 -5.8757 -5.8757 -5.7996 -5.7996 -5.6050 -5.6050 -5.0337 -5.0337 -4.1633 -4.1633 -4.1376 -4.1376 -3.6329 -3.6329 -3.5155 -3.5155 -3.4485 -3.4485 -3.4197 -3.4197 -3.1050 -3.1050 -2.7877 -2.7877 -2.7635 -2.7635 -2.7072 -2.7072 -2.3812 -2.3812 -2.1783 -2.1783 8.2416 8.2416 8.4642 8.4642 10.8499 10.8499 11.2614 11.2614 11.6357 11.6357 k = 0.3333 0.5774-0.0000 ( 7608 PWs) bands (ev): -98.0642 -98.0642 -98.0642 -98.0642 -98.0641 -98.0641 -22.8780 -22.8779 -22.8779 -22.8779 -22.5643 -22.5643 -22.3622 -22.3622 -22.3516 -22.3516 -22.3516 -22.3516 -7.0867 -7.0867 -6.2302 -6.2302 -6.2199 -6.2193 -5.6903 -5.6821 -5.6803 -5.6803 -4.9613 -4.9613 -4.1113 -4.0868 -4.0868 -4.0823 -3.7643 -3.7643 -3.5711 -3.5711 -3.3277 -3.3242 -3.3183 -3.3183 -3.2083 -3.2083 -2.9404 -2.9167 -2.9167 -2.9093 -2.4684 -2.4684 -2.4496 -2.4450 -2.2088 -2.2088 8.9079 8.9102 8.9114 8.9114 9.0532 9.0532 11.9205 11.9205 12.5370 12.5373 k = 0.3333 0.5774 0.0152 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.8828 -22.8828 -22.8729 -22.8729 -22.5645 -22.5645 -22.3622 -22.3622 -22.3523 -22.3523 -22.3509 -22.3509 -7.0862 -7.0861 -6.2356 -6.2252 -6.2250 -6.2146 -5.7011 -5.6951 -5.6712 -5.6656 -4.9632 -4.9619 -4.1164 -4.1003 -4.0774 -4.0734 -3.7687 -3.7620 -3.5722 -3.5662 -3.3356 -3.3274 -3.3167 -3.3097 -3.2081 -3.2075 -2.9401 -2.9185 -2.9135 -2.9084 -2.4731 -2.4641 -2.4524 -2.4426 -2.2093 -2.2092 8.9035 8.9060 8.9174 8.9196 9.0543 9.0544 11.9173 11.9173 12.5158 12.5228 k = 0.3333 0.5774 0.0304 ( 7617 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.8875 -22.8875 -22.8677 -22.8677 -22.5649 -22.5649 -22.3622 -22.3622 -22.3531 -22.3531 -22.3502 -22.3502 -7.0844 -7.0842 -6.2412 -6.2306 -6.2205 -6.2102 -5.7148 -5.7096 -5.6570 -5.6509 -4.9676 -4.9650 -4.1269 -4.1139 -4.0675 -4.0603 -3.7747 -3.7620 -3.5697 -3.5582 -3.3452 -3.3368 -3.3084 -3.3019 -3.2069 -3.2057 -2.9392 -2.9190 -2.9093 -2.9056 -2.4782 -2.4601 -2.4569 -2.4392 -2.2108 -2.2105 8.9009 8.9034 8.9284 8.9307 9.0578 9.0579 11.9076 11.9077 12.4863 12.4928 k = 0.3333 0.5774 0.0455 ( 7623 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.8921 -22.8921 -22.8624 -22.8624 -22.5657 -22.5657 -22.3621 -22.3621 -22.3539 -22.3539 -22.3496 -22.3496 -7.0814 -7.0811 -6.2469 -6.2363 -6.2163 -6.2063 -5.7283 -5.7238 -5.6427 -5.6364 -4.9744 -4.9706 -4.1390 -4.1275 -4.0565 -4.0475 -3.7820 -3.7642 -3.5635 -3.5475 -3.3547 -3.3462 -3.3009 -3.2950 -3.2046 -3.2029 -2.9375 -2.9180 -2.9040 -2.9013 -2.4834 -2.4619 -2.4567 -2.4362 -2.2132 -2.2128 8.9012 8.9037 8.9422 8.9445 9.0636 9.0637 11.8916 11.8918 12.4477 12.4535 k = 0.3333 0.5774 0.0607 ( 7629 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.8965 -22.8965 -22.8569 -22.8569 -22.5667 -22.5667 -22.3620 -22.3620 -22.3547 -22.3547 -22.3490 -22.3490 -7.0772 -7.0768 -6.2526 -6.2422 -6.2128 -6.2032 -5.7413 -5.7376 -5.6285 -5.6221 -4.9835 -4.9785 -4.1516 -4.1410 -4.0454 -4.0352 -3.7900 -3.7682 -3.5542 -3.5348 -3.3640 -3.3554 -3.2944 -3.2892 -3.2013 -3.1990 -2.9347 -2.9155 -2.8977 -2.8957 -2.4889 -2.4672 -2.4537 -2.4336 -2.2165 -2.2159 8.9045 8.9069 8.9587 8.9610 9.0717 9.0719 11.8694 11.8696 12.3991 12.4042 k = 0.3333 0.5774 0.0759 ( 7629 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9007 -22.9007 -22.8512 -22.8512 -22.5681 -22.5681 -22.3618 -22.3618 -22.3555 -22.3555 -22.3485 -22.3485 -7.0719 -7.0714 -6.2583 -6.2481 -6.2101 -6.2010 -5.7535 -5.7507 -5.6146 -5.6081 -4.9949 -4.9887 -4.1642 -4.1542 -4.0347 -4.0234 -3.7986 -3.7736 -3.5425 -3.5205 -3.3728 -3.3643 -3.2893 -3.2848 -3.1967 -3.1940 -2.9307 -2.9114 -2.8906 -2.8889 -2.4946 -2.4727 -2.4513 -2.4315 -2.2208 -2.2200 8.9106 8.9131 8.9779 8.9801 9.0821 9.0824 11.8413 11.8414 12.3404 12.3446 k = 0.3333 0.5774 0.0911 ( 7629 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9048 -22.9048 -22.8454 -22.8454 -22.5697 -22.5697 -22.3617 -22.3617 -22.3563 -22.3563 -22.3480 -22.3480 -7.0653 -7.0647 -6.2639 -6.2540 -6.2084 -6.2000 -5.7647 -5.7629 -5.6009 -5.5945 -5.0083 -5.0010 -4.1767 -4.1671 -4.0246 -4.0122 -3.8072 -3.7800 -3.5289 -3.5052 -3.3810 -3.3725 -3.2854 -3.2817 -3.1909 -3.1877 -2.9253 -2.9058 -2.8828 -2.8812 -2.5004 -2.4783 -2.4496 -2.4301 -2.2259 -2.2249 8.9196 8.9221 8.9997 9.0018 9.0949 9.0953 11.8073 11.8074 12.2723 12.2757 k = 0.3333 0.5774 0.1063 ( 7629 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9086 -22.9086 -22.8395 -22.8395 -22.5716 -22.5716 -22.3615 -22.3615 -22.3572 -22.3572 -22.3475 -22.3475 -7.0576 -7.0569 -6.2695 -6.2598 -6.2080 -6.2004 -5.7747 -5.7740 -5.5876 -5.5813 -5.0236 -5.0154 -4.1888 -4.1797 -4.0151 -4.0017 -3.8159 -3.7870 -3.5141 -3.4892 -3.3883 -3.3800 -3.2830 -3.2800 -3.1836 -3.1802 -2.9185 -2.8986 -2.8743 -2.8726 -2.5062 -2.4841 -2.4485 -2.4294 -2.2319 -2.2308 8.9316 8.9341 9.0240 9.0261 9.1099 9.1104 11.7677 11.7679 12.1960 12.1988 k = 0.3333 0.5774 0.1214 ( 7623 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9123 -22.9123 -22.8334 -22.8334 -22.5738 -22.5738 -22.3612 -22.3612 -22.3581 -22.3580 -22.3471 -22.3471 -7.0487 -7.0479 -6.2749 -6.2655 -6.2089 -6.2023 -5.7838 -5.7832 -5.5747 -5.5686 -5.0407 -5.0315 -4.2007 -4.1919 -4.0065 -3.9921 -3.8244 -3.7944 -3.4987 -3.4731 -3.3947 -3.3866 -3.2821 -3.2797 -3.1749 -3.1712 -2.9104 -2.8901 -2.8651 -2.8633 -2.5121 -2.4899 -2.4481 -2.4294 -2.2387 -2.2375 8.9466 8.9491 9.0507 9.0528 9.1272 9.1278 11.7229 11.7231 12.1133 12.1155 k = 0.3333 0.5774 0.1366 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9159 -22.9159 -22.8273 -22.8273 -22.5763 -22.5763 -22.3610 -22.3610 -22.3589 -22.3589 -22.3468 -22.3468 -7.0387 -7.0378 -6.2802 -6.2711 -6.2116 -6.2059 -5.7920 -5.7900 -5.5624 -5.5564 -5.0594 -5.0494 -4.2121 -4.2036 -3.9986 -3.9832 -3.8328 -3.8019 -3.4832 -3.4572 -3.4001 -3.3922 -3.2824 -3.2807 -3.1645 -3.1608 -2.9011 -2.8803 -2.8553 -2.8534 -2.5181 -2.4958 -2.4486 -2.4301 -2.2464 -2.2450 8.9645 8.9670 9.0799 9.0819 9.1469 9.1475 11.6732 11.6734 12.0257 12.0274 k = 0.3333 0.5774 0.1518 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9192 -22.9192 -22.8210 -22.8210 -22.5791 -22.5791 -22.3607 -22.3607 -22.3598 -22.3598 -22.3465 -22.3465 -7.0276 -7.0265 -6.2853 -6.2766 -6.2161 -6.2115 -5.7985 -5.7951 -5.5504 -5.5447 -5.0795 -5.0687 -4.2230 -4.2147 -3.9917 -3.9752 -3.8409 -3.8095 -3.4680 -3.4418 -3.4044 -3.3966 -3.2841 -3.2829 -3.1523 -3.1487 -2.8907 -2.8694 -2.8450 -2.8429 -2.5240 -2.5017 -2.4498 -2.4317 -2.2549 -2.2534 8.9853 8.9878 9.1113 9.1133 9.1687 9.1694 11.6189 11.6191 11.9347 11.9360 k = 0.3333 0.5774 0.1670 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9224 -22.9224 -22.8146 -22.8145 -22.5822 -22.5821 -22.3606 -22.3606 -22.3604 -22.3603 -22.3462 -22.3462 -7.0153 -7.0142 -6.2902 -6.2818 -6.2225 -6.2190 -5.8030 -5.7981 -5.5391 -5.5336 -5.1009 -5.0893 -4.2333 -4.2252 -3.9856 -3.9681 -3.8488 -3.8170 -3.4536 -3.4273 -3.4075 -3.3997 -3.2868 -3.2862 -3.1382 -3.1349 -2.8794 -2.8576 -2.8342 -2.8318 -2.5298 -2.5075 -2.4519 -2.4341 -2.2642 -2.2625 9.0090 9.0115 9.1449 9.1468 9.1929 9.1936 11.5603 11.5606 11.8415 11.8424 k = 0.3333 0.5774 0.1822 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9255 -22.9255 -22.8080 -22.8080 -22.5855 -22.5855 -22.3614 -22.3614 -22.3600 -22.3600 -22.3460 -22.3460 -7.0020 -7.0007 -6.2949 -6.2869 -6.2310 -6.2287 -5.8055 -5.7991 -5.5283 -5.5231 -5.1234 -5.1111 -4.2429 -4.2351 -3.9803 -3.9618 -3.8565 -3.8244 -3.4405 -3.4139 -3.4096 -3.4012 -3.2905 -3.2903 -3.1223 -3.1194 -2.8673 -2.8452 -2.8229 -2.8203 -2.5356 -2.5133 -2.4548 -2.4374 -2.2742 -2.2724 9.0356 9.0381 9.1805 9.1824 9.2192 9.2200 11.4979 11.4982 11.7469 11.7476 k = 0.3333 0.5774 0.1973 ( 7644 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9283 -22.9283 -22.8014 -22.8014 -22.5891 -22.5890 -22.3623 -22.3623 -22.3596 -22.3596 -22.3459 -22.3459 -6.9877 -6.9863 -6.2994 -6.2918 -6.2416 -6.2403 -5.8058 -5.7980 -5.5181 -5.5132 -5.1467 -5.1339 -4.2520 -4.2444 -3.9759 -3.9564 -3.8638 -3.8317 -3.4293 -3.4105 -3.4016 -3.4008 -3.2953 -3.2951 -3.1046 -3.1022 -2.8547 -2.8322 -2.8111 -2.8083 -2.5414 -2.5191 -2.4587 -2.4417 -2.2850 -2.2830 9.0651 9.0676 9.2181 9.2199 9.2477 9.2486 11.4321 11.4324 11.6518 11.6522 k = 0.3333 0.5774 0.2125 ( 7638 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9310 -22.9310 -22.7947 -22.7947 -22.5929 -22.5929 -22.3631 -22.3631 -22.3592 -22.3592 -22.3458 -22.3458 -6.9723 -6.9708 -6.3036 -6.2964 -6.2543 -6.2539 -5.8041 -5.7949 -5.5085 -5.5039 -5.1709 -5.1574 -4.2603 -4.2530 -3.9723 -3.9517 -3.8710 -3.8388 -3.4209 -3.4104 -3.3978 -3.3907 -3.3008 -3.3003 -3.0851 -3.0833 -2.8416 -2.8189 -2.7989 -2.7959 -2.5470 -2.5248 -2.4636 -2.4468 -2.2965 -2.2944 9.0973 9.0999 9.2574 9.2591 9.2784 9.2793 11.3632 11.3636 11.5567 11.5569 k = 0.3333 0.5774 0.2277 ( 7641 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9335 -22.9335 -22.7879 -22.7879 -22.5970 -22.5970 -22.3638 -22.3638 -22.3588 -22.3588 -22.3458 -22.3458 -6.9560 -6.9543 -6.3075 -6.3009 -6.2693 -6.2689 -5.8002 -5.7899 -5.4995 -5.4953 -5.1956 -5.1817 -4.2680 -4.2609 -3.9693 -3.9478 -3.8778 -3.8457 -3.4154 -3.4094 -3.3922 -3.3811 -3.3069 -3.3060 -3.0641 -3.0629 -2.8284 -2.8055 -2.7863 -2.7831 -2.5525 -2.5305 -2.4694 -2.4529 -2.3086 -2.3063 9.1324 9.1350 9.2983 9.2999 9.3111 9.3122 11.2918 11.2922 11.4622 11.4622 k = 0.3333 0.5774 0.2429 ( 7629 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9359 -22.9359 -22.7810 -22.7810 -22.6014 -22.6013 -22.3646 -22.3646 -22.3583 -22.3583 -22.3458 -22.3458 -6.9386 -6.9369 -6.3112 -6.3052 -6.2863 -6.2854 -5.7944 -5.7830 -5.4911 -5.4873 -5.2209 -5.2065 -4.2749 -4.2681 -3.9670 -3.9446 -3.8844 -3.8524 -3.4115 -3.4076 -3.3853 -3.3728 -3.3132 -3.3121 -3.0416 -3.0412 -2.8150 -2.7920 -2.7733 -2.7700 -2.5579 -2.5361 -2.4762 -2.4600 -2.3214 -2.3189 9.1701 9.1728 9.3406 9.3418 9.3462 9.3470 11.2183 11.2187 11.3684 11.3685 k = 0.3333 0.5774 0.2581 ( 7629 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9380 -22.9380 -22.7741 -22.7741 -22.6059 -22.6059 -22.3653 -22.3653 -22.3578 -22.3578 -22.3458 -22.3458 -6.9204 -6.9186 -6.3147 -6.3104 -6.3038 -6.3035 -5.7868 -5.7744 -5.4834 -5.4800 -5.2465 -5.2317 -4.2812 -4.2747 -3.9651 -3.9419 -3.8908 -3.8588 -3.4081 -3.4049 -3.3784 -3.3657 -3.3197 -3.3184 -3.0183 -3.0180 -2.8017 -2.7787 -2.7599 -2.7567 -2.5632 -2.5416 -2.4840 -2.4680 -2.3347 -2.3321 9.2105 9.2132 9.3820 9.3838 9.3840 9.3860 11.1431 11.1435 11.2759 11.2761 k = 0.3333 0.5774 0.2732 ( 7647 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9401 -22.9401 -22.7671 -22.7671 -22.6107 -22.6107 -22.3660 -22.3660 -22.3573 -22.3573 -22.3459 -22.3459 -6.9013 -6.8993 -6.3262 -6.3231 -6.3179 -6.3117 -5.7774 -5.7643 -5.4763 -5.4733 -5.2724 -5.2572 -4.2868 -4.2806 -3.9637 -3.9396 -3.8969 -3.8651 -3.4047 -3.4018 -3.3721 -3.3598 -3.3263 -3.3248 -2.9944 -2.9934 -2.7886 -2.7656 -2.7463 -2.7431 -2.5684 -2.5470 -2.4927 -2.4770 -2.3485 -2.3458 9.2534 9.2561 9.4208 9.4225 9.4282 9.4299 11.0666 11.0672 11.1848 11.1853 k = 0.3333 0.5774 0.2884 ( 7635 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9419 -22.9419 -22.7601 -22.7601 -22.6158 -22.6158 -22.3666 -22.3666 -22.3568 -22.3568 -22.3461 -22.3461 -6.8814 -6.8793 -6.3472 -6.3440 -6.3208 -6.3154 -5.7665 -5.7527 -5.4699 -5.4673 -5.2985 -5.2828 -4.2917 -4.2859 -3.9625 -3.9377 -3.9027 -3.8711 -3.4010 -3.3980 -3.3666 -3.3548 -3.3328 -3.3312 -2.9698 -2.9682 -2.7757 -2.7529 -2.7323 -2.7294 -2.5735 -2.5524 -2.5025 -2.4869 -2.3629 -2.3600 9.2986 9.3014 9.4611 9.4629 9.4729 9.4745 10.9895 10.9902 11.0956 11.0962 k = 0.3333 0.5774 0.3036 ( 7623 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9436 -22.9436 -22.7530 -22.7530 -22.6210 -22.6210 -22.3672 -22.3672 -22.3562 -22.3562 -22.3463 -22.3463 -6.8607 -6.8584 -6.3694 -6.3660 -6.3234 -6.3186 -5.7542 -5.7397 -5.4640 -5.4619 -5.3246 -5.3085 -4.2960 -4.2905 -3.9616 -3.9361 -3.9083 -3.8768 -3.3971 -3.3939 -3.3620 -3.3509 -3.3391 -3.3373 -2.9446 -2.9424 -2.7631 -2.7406 -2.7182 -2.7156 -2.5784 -2.5577 -2.5131 -2.4976 -2.3777 -2.3747 9.3461 9.3489 9.5029 9.5048 9.5177 9.5192 10.9123 10.9131 11.0085 11.0092 k = 0.3333 0.5774 0.3188 ( 7611 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9451 -22.9451 -22.7459 -22.7459 -22.6264 -22.6264 -22.3678 -22.3678 -22.3557 -22.3556 -22.3466 -22.3466 -6.8392 -6.8368 -6.3926 -6.3890 -6.3258 -6.3214 -5.7405 -5.7256 -5.4588 -5.4572 -5.3506 -5.3341 -4.2996 -4.2946 -3.9607 -3.9347 -3.9136 -3.8823 -3.3929 -3.3896 -3.3582 -3.3480 -3.3450 -3.3432 -2.9192 -2.9164 -2.7510 -2.7289 -2.7040 -2.7018 -2.5832 -2.5630 -2.5246 -2.5090 -2.3928 -2.3897 9.3956 9.3985 9.5459 9.5480 9.5621 9.5634 10.8354 10.8363 10.9236 10.9245 k = 0.3333 0.5774 0.3340 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9464 -22.9464 -22.7388 -22.7388 -22.6321 -22.6321 -22.3683 -22.3683 -22.3551 -22.3551 -22.3469 -22.3469 -6.8170 -6.8145 -6.4165 -6.4128 -6.3279 -6.3240 -5.7256 -5.7103 -5.4541 -5.4532 -5.3765 -5.3596 -4.3027 -4.2981 -3.9600 -3.9334 -3.9187 -3.8875 -3.3886 -3.3852 -3.3552 -3.3511 -3.3487 -3.3453 -2.8936 -2.8904 -2.7395 -2.7179 -2.6899 -2.6883 -2.5879 -2.5683 -2.5367 -2.5210 -2.4083 -2.4050 9.4468 9.4498 9.5898 9.5921 9.6054 9.6067 10.7596 10.7607 10.8414 10.8425 k = 0.3333 0.5774 0.3491 ( 7614 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9476 -22.9476 -22.7317 -22.7317 -22.6379 -22.6379 -22.3687 -22.3687 -22.3545 -22.3545 -22.3472 -22.3472 -6.7942 -6.7916 -6.4410 -6.4372 -6.3297 -6.3263 -5.7096 -5.6940 -5.4501 -5.4500 -5.4023 -5.3846 -4.3053 -4.3012 -3.9591 -3.9321 -3.9235 -3.8924 -3.3843 -3.3808 -3.3563 -3.3536 -3.3530 -3.3439 -2.8681 -2.8644 -2.7285 -2.7077 -2.6763 -2.6755 -2.5923 -2.5736 -2.5492 -2.5331 -2.4241 -2.4207 9.4993 9.5025 9.6340 9.6366 9.6471 9.6483 10.6857 10.6870 10.7623 10.7635 k = 0.3333 0.5774 0.3643 ( 7617 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9487 -22.9487 -22.7246 -22.7246 -22.6439 -22.6438 -22.3691 -22.3691 -22.3539 -22.3539 -22.3476 -22.3476 -6.7708 -6.7680 -6.4661 -6.4622 -6.3313 -6.3284 -5.6925 -5.6766 -5.4481 -5.4466 -5.4277 -5.4086 -4.3073 -4.3038 -3.9582 -3.9308 -3.9279 -3.8970 -3.3801 -3.3768 -3.3610 -3.3577 -3.3514 -3.3431 -2.8428 -2.8387 -2.7184 -2.6984 -2.6639 -2.6638 -2.5964 -2.5788 -2.5613 -2.5446 -2.4400 -2.4365 9.5527 9.5560 9.6777 9.6807 9.6863 9.6874 10.6147 10.6163 10.6867 10.6881 k = 0.3333 0.5774 0.3795 ( 7623 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9495 -22.9495 -22.7175 -22.7175 -22.6500 -22.6500 -22.3694 -22.3694 -22.3533 -22.3533 -22.3480 -22.3480 -6.7468 -6.7439 -6.4915 -6.4876 -6.3325 -6.3301 -5.6745 -5.6584 -5.4529 -5.4503 -5.4436 -5.4288 -4.3090 -4.3059 -3.9572 -3.9321 -3.9294 -3.9013 -3.3761 -3.3737 -3.3652 -3.3605 -3.3506 -3.3429 -2.8179 -2.8134 -2.7090 -2.6902 -2.6550 -2.6539 -2.6001 -2.5839 -2.5717 -2.5544 -2.4561 -2.4525 9.6062 9.6097 9.7194 9.7221 9.7233 9.7235 10.5481 10.5500 10.6153 10.6170 k = 0.3333 0.5774 0.3947 ( 7608 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0641 -98.0641 -22.9502 -22.9502 -22.7104 -22.7104 -22.6563 -22.6563 -22.3697 -22.3697 -22.3527 -22.3527 -22.3484 -22.3484 -6.7224 -6.7194 -6.5172 -6.5133 -6.3335 -6.3316 -5.6556 -5.6394 -5.4776 -5.4654 -5.4411 -5.4362 -4.3101 -4.3077 -3.9559 -3.9360 -3.9278 -3.9053 -3.3725 -3.3723 -3.3687 -3.3609 -3.3502 -3.3433 -2.7935 -2.7887 -2.7006 -2.6833 -2.6508 -2.6493 -2.6032 -2.5887 -2.5776 -2.5602 -2.4722 -2.4685 9.6587 9.6625 9.7535 9.7536 9.7593 9.7624 10.4879 10.4902 10.5492 10.5512 k = 0.3333 0.5774 0.4099 ( 7617 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9508 -22.9508 -22.7034 -22.7034 -22.6627 -22.6627 -22.3699 -22.3699 -22.3521 -22.3521 -22.3489 -22.3489 -6.6975 -6.6944 -6.5431 -6.5393 -6.3342 -6.3328 -5.6359 -5.6196 -5.5018 -5.4875 -5.4392 -5.4367 -4.3110 -4.3091 -3.9544 -3.9396 -3.9261 -3.9090 -3.3731 -3.3714 -3.3690 -3.3589 -3.3504 -3.3443 -2.7701 -2.7649 -2.6935 -2.6780 -2.6533 -2.6529 -2.6053 -2.5931 -2.5762 -2.5601 -2.4880 -2.4845 9.7086 9.7126 9.7794 9.7797 9.7915 9.7954 10.4371 10.4399 10.4899 10.4923 k = 0.3333 0.5774 0.4250 ( 7617 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9512 -22.9512 -22.6964 -22.6964 -22.6692 -22.6692 -22.3701 -22.3701 -22.3516 -22.3516 -22.3494 -22.3494 -6.6723 -6.6691 -6.5691 -6.5653 -6.3347 -6.3337 -5.6154 -5.5990 -5.5255 -5.5106 -5.4377 -5.4363 -4.3114 -4.3102 -3.9527 -3.9428 -3.9242 -3.9122 -3.3742 -3.3734 -3.3662 -3.3561 -3.3509 -3.3458 -2.7479 -2.7421 -2.6885 -2.6746 -2.6635 -2.6618 -2.6063 -2.5973 -2.5686 -2.5538 -2.5032 -2.5002 9.7535 9.7579 9.7989 9.7990 9.8139 9.8183 10.3997 10.4029 10.4398 10.4426 k = 0.3333 0.5774 0.4402 ( 7617 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9514 -22.9514 -22.6895 -22.6895 -22.6759 -22.6759 -22.3702 -22.3702 -22.3510 -22.3510 -22.3499 -22.3499 -6.6467 -6.6435 -6.5951 -6.5912 -6.3349 -6.3344 -5.5944 -5.5777 -5.5485 -5.5334 -5.4368 -5.4361 -4.3116 -4.3110 -3.9507 -3.9457 -3.9224 -3.9149 -3.3750 -3.3747 -3.3643 -3.3531 -3.3514 -3.3478 -2.7282 -2.7207 -2.6892 -2.6773 -2.6732 -2.6710 -2.6059 -2.6010 -2.5586 -2.5431 -2.5167 -2.5155 9.7900 9.7947 9.8109 9.8110 9.8224 9.8271 10.3801 10.3835 10.4021 10.4053 k = 0.3333 0.5774 0.4554 ( 7620 PWs) bands (ev): -98.0643 -98.0643 -98.0642 -98.0642 -98.0642 -98.0642 -22.9515 -22.9515 -22.6826 -22.6826 -22.6826 -22.6826 -22.3702 -22.3702 -22.3504 -22.3504 -22.3504 -22.3504 -6.6210 -6.6210 -6.6208 -6.6142 -6.3348 -6.3348 -5.5770 -5.5665 -5.5558 -5.5558 -5.4362 -5.4362 -4.3114 -4.3114 -3.9484 -3.9484 -3.9214 -3.9163 -3.3752 -3.3752 -3.3636 -3.3517 -3.3503 -3.3503 -2.7177 -2.7018 -2.7018 -2.6861 -2.6732 -2.6732 -2.6040 -2.6040 -2.5528 -2.5300 -2.5300 -2.5235 9.8133 9.8133 9.8159 9.8159 9.8180 9.8200 10.3807 10.3815 10.3845 10.3845 Writing output data file BeF2.save init_run : 1.84s CPU 10.96s WALL ( 1 calls) electrons : 1409.66s CPU 1426.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.44s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 1409.62s CPU 1426.27s WALL ( 1 calls) v_of_rho : 0.20s CPU 1.04s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.18s CPU 0.60s WALL ( 1 calls) newd : 0.28s CPU 0.71s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 305 calls) cegterg : 1336.76s CPU 1349.62s WALL ( 857 calls) Called by sum_band: Called by *egterg: h_psi : 627.23s CPU 638.31s WALL ( 15428 calls) s_psi : 33.08s CPU 33.52s WALL ( 15428 calls) g_psi : 1.65s CPU 1.67s WALL ( 14266 calls) cdiaghg : 477.57s CPU 474.24s WALL ( 14571 calls) cegterg:over : 114.53s CPU 112.14s WALL ( 14266 calls) cegterg:upda : 37.14s CPU 41.58s WALL ( 14266 calls) cegterg:last : 29.24s CPU 30.07s WALL ( 2204 calls) Called by h_psi: h_psi:vloc : 539.83s CPU 548.33s WALL ( 15428 calls) h_psi:vnl : 86.62s CPU 88.32s WALL ( 15428 calls) add_vuspsi : 26.07s CPU 29.96s WALL ( 15428 calls) General routines calbec : 60.48s CPU 58.24s WALL ( 15428 calls) fft : 0.30s CPU 1.29s WALL ( 19 calls) ffts : 0.01s CPU 0.03s WALL ( 4 calls) fftw : 499.53s CPU 503.62s WALL ( 1688832 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 2.69s WALL ( 610 calls) Parallel routines fft_scatter : 289.73s CPU 274.71s WALL ( 1688855 calls) PWSCF : 24m47.78s CPU 27m32.71s WALL This run was terminated on: 2:11:55 1Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=