Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 2:10 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2ZrF6.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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 70 19 2656 2656 385 Max 71 71 20 2659 2659 390 Sum 2527 2527 703 95631 95631 13921 bravais-lattice index = 14 lattice parameter (alat) = 9.4108 a.u. unit-cell volume = 675.4166 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.410835 celldm(2)= 1.000000 celldm(3)= 0.935743 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.935743 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.068670 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for F read from file: /users/gautes/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. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) F 7.00 18.99840 F( 1.00) Li 3.00 6.94100 Li( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0031746 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0031746 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0031746 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0031746 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0031746 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0031746 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0031746 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0031746 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0031746 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0031746 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0031746 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0031746 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0031746 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0031746 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0031746 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0031746 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0031746 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0031746 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0031746 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0031746 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0031746 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0031746 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0031746 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0031746 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0031746 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0031746 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0031746 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0031746 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0031746 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0031746 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 40) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0031746 k( 41) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0031746 k( 42) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0031746 k( 43) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0031746 k( 44) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0031746 k( 45) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0031746 k( 46) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0031746 k( 47) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0031746 k( 48) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0031746 k( 49) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0031746 k( 50) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031746 k( 51) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0031746 k( 52) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0031746 k( 53) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0031746 k( 54) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0031746 k( 55) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0031746 k( 56) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0031746 k( 57) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0031746 k( 58) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0031746 k( 65) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0031746 k( 66) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0031746 k( 67) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0031746 k( 68) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0031746 k( 69) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0031746 k( 70) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0031746 k( 71) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0031746 k( 72) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0031746 k( 73) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0031746 k( 74) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0031746 k( 75) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0031746 k( 76) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0031746 k( 77) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0031746 k( 78) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0031746 k( 79) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0031746 k( 80) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0031746 k( 81) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0031746 k( 82) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0031746 k( 83) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0031746 k( 84) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0031746 k( 85) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0031746 k( 86) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0031746 k( 87) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0031746 k( 88) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0031746 k( 89) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0031746 k( 90) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0031746 k( 91) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0031746 k( 92) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0031746 k( 93) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0031746 k( 94) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0031746 k( 95) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0031746 k( 96) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0031746 k( 97) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0031746 k( 98) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0031746 k( 99) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0031746 k( 100) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0031746 k( 101) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0031746 k( 102) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0031746 k( 103) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0031746 k( 104) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0031746 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 107) = ( 0.0000000 0.0000000 0.0157157), wk = 0.0031746 k( 108) = ( 0.0000000 0.0000000 0.0314315), wk = 0.0031746 k( 109) = ( 0.0000000 0.0000000 0.0471472), wk = 0.0031746 k( 110) = ( 0.0000000 0.0000000 0.0628629), wk = 0.0031746 k( 111) = ( 0.0000000 0.0000000 0.0785786), wk = 0.0031746 k( 112) = ( 0.0000000 0.0000000 0.0942944), wk = 0.0031746 k( 113) = ( 0.0000000 0.0000000 0.1100101), wk = 0.0031746 k( 114) = ( 0.0000000 0.0000000 0.1257258), wk = 0.0031746 k( 115) = ( 0.0000000 0.0000000 0.1414416), wk = 0.0031746 k( 116) = ( 0.0000000 0.0000000 0.1571573), wk = 0.0031746 k( 117) = ( 0.0000000 0.0000000 0.1728730), wk = 0.0031746 k( 118) = ( 0.0000000 0.0000000 0.1885887), wk = 0.0031746 k( 119) = ( 0.0000000 0.0000000 0.2043045), wk = 0.0031746 k( 120) = ( 0.0000000 0.0000000 0.2200202), wk = 0.0031746 k( 121) = ( 0.0000000 0.0000000 0.2357359), wk = 0.0031746 k( 122) = ( 0.0000000 0.0000000 0.2514517), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.2671674), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.2828831), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.2985988), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.3143146), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.3300303), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.3457460), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.3614617), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.3771775), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.3928932), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.4086089), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.4243247), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.4400404), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.4557561), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.4714718), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.4871876), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.5029033), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.5186190), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.5343348), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.5343348), wk = 0.0031746 k( 142) = ( 0.0135135 0.0078020 0.5343348), wk = 0.0031746 k( 143) = ( 0.0270270 0.0156041 0.5343348), wk = 0.0031746 k( 144) = ( 0.0405405 0.0234061 0.5343348), wk = 0.0031746 k( 145) = ( 0.0540540 0.0312081 0.5343348), wk = 0.0031746 k( 146) = ( 0.0675676 0.0390102 0.5343348), wk = 0.0031746 k( 147) = ( 0.0810811 0.0468122 0.5343348), wk = 0.0031746 k( 148) = ( 0.0945946 0.0546142 0.5343348), wk = 0.0031746 k( 149) = ( 0.1081081 0.0624162 0.5343348), wk = 0.0031746 k( 150) = ( 0.1216216 0.0702183 0.5343348), wk = 0.0031746 k( 151) = ( 0.1351351 0.0780203 0.5343348), wk = 0.0031746 k( 152) = ( 0.1486486 0.0858223 0.5343348), wk = 0.0031746 k( 153) = ( 0.1621622 0.0936244 0.5343348), wk = 0.0031746 k( 154) = ( 0.1756757 0.1014264 0.5343348), wk = 0.0031746 k( 155) = ( 0.1891892 0.1092284 0.5343348), wk = 0.0031746 k( 156) = ( 0.2027027 0.1170305 0.5343348), wk = 0.0031746 k( 157) = ( 0.2162162 0.1248325 0.5343348), wk = 0.0031746 k( 158) = ( 0.2297297 0.1326345 0.5343348), wk = 0.0031746 k( 159) = ( 0.2432432 0.1404366 0.5343348), wk = 0.0031746 k( 160) = ( 0.2567568 0.1482386 0.5343348), wk = 0.0031746 k( 161) = ( 0.2702703 0.1560406 0.5343348), wk = 0.0031746 k( 162) = ( 0.2837838 0.1638426 0.5343348), wk = 0.0031746 k( 163) = ( 0.2972973 0.1716447 0.5343348), wk = 0.0031746 k( 164) = ( 0.3108108 0.1794467 0.5343348), wk = 0.0031746 k( 165) = ( 0.3243243 0.1872487 0.5343348), wk = 0.0031746 k( 166) = ( 0.3378378 0.1950508 0.5343348), wk = 0.0031746 k( 167) = ( 0.3513514 0.2028528 0.5343348), wk = 0.0031746 k( 168) = ( 0.3648649 0.2106548 0.5343348), wk = 0.0031746 k( 169) = ( 0.3783784 0.2184569 0.5343348), wk = 0.0031746 k( 170) = ( 0.3918919 0.2262589 0.5343348), wk = 0.0031746 k( 171) = ( 0.4054054 0.2340609 0.5343348), wk = 0.0031746 k( 172) = ( 0.4189189 0.2418630 0.5343348), wk = 0.0031746 k( 173) = ( 0.4324324 0.2496650 0.5343348), wk = 0.0031746 k( 174) = ( 0.4459459 0.2574670 0.5343348), wk = 0.0031746 k( 175) = ( 0.4594595 0.2652690 0.5343348), wk = 0.0031746 k( 176) = ( 0.4729730 0.2730711 0.5343348), wk = 0.0031746 k( 177) = ( 0.4864865 0.2808731 0.5343348), wk = 0.0031746 k( 178) = ( 0.5000000 0.2886751 0.5343348), wk = 0.0031746 k( 179) = ( 0.5000000 0.2886751 0.5343348), wk = 0.0031746 k( 180) = ( 0.4924242 0.3017967 0.5343348), wk = 0.0031746 k( 181) = ( 0.4848485 0.3149183 0.5343348), wk = 0.0031746 k( 182) = ( 0.4772727 0.3280399 0.5343348), wk = 0.0031746 k( 183) = ( 0.4696970 0.3411615 0.5343348), wk = 0.0031746 k( 184) = ( 0.4621212 0.3542831 0.5343348), wk = 0.0031746 k( 185) = ( 0.4545455 0.3674047 0.5343348), wk = 0.0031746 k( 186) = ( 0.4469697 0.3805263 0.5343348), wk = 0.0031746 k( 187) = ( 0.4393939 0.3936479 0.5343348), wk = 0.0031746 k( 188) = ( 0.4318182 0.4067695 0.5343348), wk = 0.0031746 k( 189) = ( 0.4242424 0.4198911 0.5343348), wk = 0.0031746 k( 190) = ( 0.4166667 0.4330127 0.5343348), wk = 0.0031746 k( 191) = ( 0.4090909 0.4461343 0.5343348), wk = 0.0031746 k( 192) = ( 0.4015151 0.4592559 0.5343348), wk = 0.0031746 k( 193) = ( 0.3939394 0.4723775 0.5343348), wk = 0.0031746 k( 194) = ( 0.3863636 0.4854991 0.5343348), wk = 0.0031746 k( 195) = ( 0.3787879 0.4986207 0.5343348), wk = 0.0031746 k( 196) = ( 0.3712121 0.5117423 0.5343348), wk = 0.0031746 k( 197) = ( 0.3636364 0.5248639 0.5343348), wk = 0.0031746 k( 198) = ( 0.3560606 0.5379855 0.5343348), wk = 0.0031746 k( 199) = ( 0.3484849 0.5511071 0.5343348), wk = 0.0031746 k( 200) = ( 0.3409091 0.5642287 0.5343348), wk = 0.0031746 k( 201) = ( 0.3333333 0.5773503 0.5343348), wk = 0.0031746 k( 202) = ( 0.3333333 0.5773503 0.5343348), wk = 0.0031746 k( 203) = ( 0.3255814 0.5639235 0.5343348), wk = 0.0031746 k( 204) = ( 0.3178295 0.5504968 0.5343348), wk = 0.0031746 k( 205) = ( 0.3100775 0.5370700 0.5343348), wk = 0.0031746 k( 206) = ( 0.3023256 0.5236433 0.5343348), wk = 0.0031746 k( 207) = ( 0.2945736 0.5102165 0.5343348), wk = 0.0031746 k( 208) = ( 0.2868217 0.4967898 0.5343348), wk = 0.0031746 k( 209) = ( 0.2790698 0.4833630 0.5343348), wk = 0.0031746 k( 210) = ( 0.2713178 0.4699363 0.5343348), wk = 0.0031746 k( 211) = ( 0.2635659 0.4565095 0.5343348), wk = 0.0031746 k( 212) = ( 0.2558140 0.4430828 0.5343348), wk = 0.0031746 k( 213) = ( 0.2480620 0.4296560 0.5343348), wk = 0.0031746 k( 214) = ( 0.2403101 0.4162293 0.5343348), wk = 0.0031746 k( 215) = ( 0.2325581 0.4028025 0.5343348), wk = 0.0031746 k( 216) = ( 0.2248062 0.3893758 0.5343348), wk = 0.0031746 k( 217) = ( 0.2170543 0.3759490 0.5343348), wk = 0.0031746 k( 218) = ( 0.2093023 0.3625223 0.5343348), wk = 0.0031746 k( 219) = ( 0.2015504 0.3490955 0.5343348), wk = 0.0031746 k( 220) = ( 0.1937985 0.3356688 0.5343348), wk = 0.0031746 k( 221) = ( 0.1860465 0.3222420 0.5343348), wk = 0.0031746 k( 222) = ( 0.1782946 0.3088153 0.5343348), wk = 0.0031746 k( 223) = ( 0.1705426 0.2953885 0.5343348), wk = 0.0031746 k( 224) = ( 0.1627907 0.2819618 0.5343348), wk = 0.0031746 k( 225) = ( 0.1550388 0.2685350 0.5343348), wk = 0.0031746 k( 226) = ( 0.1472868 0.2551083 0.5343348), wk = 0.0031746 k( 227) = ( 0.1395349 0.2416815 0.5343348), wk = 0.0031746 k( 228) = ( 0.1317830 0.2282548 0.5343348), wk = 0.0031746 k( 229) = ( 0.1240310 0.2148280 0.5343348), wk = 0.0031746 k( 230) = ( 0.1162791 0.2014013 0.5343348), wk = 0.0031746 k( 231) = ( 0.1085271 0.1879745 0.5343348), wk = 0.0031746 k( 232) = ( 0.1007752 0.1745477 0.5343348), wk = 0.0031746 k( 233) = ( 0.0930233 0.1611210 0.5343348), wk = 0.0031746 k( 234) = ( 0.0852713 0.1476943 0.5343348), wk = 0.0031746 k( 235) = ( 0.0775194 0.1342675 0.5343348), wk = 0.0031746 k( 236) = ( 0.0697674 0.1208408 0.5343348), wk = 0.0031746 k( 237) = ( 0.0620155 0.1074140 0.5343348), wk = 0.0031746 k( 238) = ( 0.0542636 0.0939873 0.5343348), wk = 0.0031746 k( 239) = ( 0.0465116 0.0805605 0.5343348), wk = 0.0031746 k( 240) = ( 0.0387597 0.0671338 0.5343348), wk = 0.0031746 k( 241) = ( 0.0310078 0.0537070 0.5343348), wk = 0.0031746 k( 242) = ( 0.0232558 0.0402802 0.5343348), wk = 0.0031746 k( 243) = ( 0.0155039 0.0268535 0.5343348), wk = 0.0031746 k( 244) = ( 0.0077519 0.0134268 0.5343348), wk = 0.0031746 k( 245) = ( 0.0000000 0.0000000 0.5343348), wk = 0.0031746 k( 246) = ( 0.5000000 0.2886751 0.5343348), wk = 0.0031746 k( 247) = ( 0.5000000 0.2886751 0.5186190), wk = 0.0031746 k( 248) = ( 0.5000000 0.2886751 0.5029033), wk = 0.0031746 k( 249) = ( 0.5000000 0.2886751 0.4871876), wk = 0.0031746 k( 250) = ( 0.5000000 0.2886751 0.4714718), wk = 0.0031746 k( 251) = ( 0.5000000 0.2886751 0.4557561), wk = 0.0031746 k( 252) = ( 0.5000000 0.2886751 0.4400404), wk = 0.0031746 k( 253) = ( 0.5000000 0.2886751 0.4243247), wk = 0.0031746 k( 254) = ( 0.5000000 0.2886751 0.4086089), wk = 0.0031746 k( 255) = ( 0.5000000 0.2886751 0.3928932), wk = 0.0031746 k( 256) = ( 0.5000000 0.2886751 0.3771775), wk = 0.0031746 k( 257) = ( 0.5000000 0.2886751 0.3614617), wk = 0.0031746 k( 258) = ( 0.5000000 0.2886751 0.3457460), wk = 0.0031746 k( 259) = ( 0.5000000 0.2886751 0.3300303), wk = 0.0031746 k( 260) = ( 0.5000000 0.2886751 0.3143146), wk = 0.0031746 k( 261) = ( 0.5000000 0.2886751 0.2985988), wk = 0.0031746 k( 262) = ( 0.5000000 0.2886751 0.2828831), wk = 0.0031746 k( 263) = ( 0.5000000 0.2886751 0.2671674), wk = 0.0031746 k( 264) = ( 0.5000000 0.2886751 0.2514517), wk = 0.0031746 k( 265) = ( 0.5000000 0.2886751 0.2357359), wk = 0.0031746 k( 266) = ( 0.5000000 0.2886751 0.2200202), wk = 0.0031746 k( 267) = ( 0.5000000 0.2886751 0.2043045), wk = 0.0031746 k( 268) = ( 0.5000000 0.2886751 0.1885887), wk = 0.0031746 k( 269) = ( 0.5000000 0.2886751 0.1728730), wk = 0.0031746 k( 270) = ( 0.5000000 0.2886751 0.1571573), wk = 0.0031746 k( 271) = ( 0.5000000 0.2886751 0.1414416), wk = 0.0031746 k( 272) = ( 0.5000000 0.2886751 0.1257258), wk = 0.0031746 k( 273) = ( 0.5000000 0.2886751 0.1100101), wk = 0.0031746 k( 274) = ( 0.5000000 0.2886751 0.0942944), wk = 0.0031746 k( 275) = ( 0.5000000 0.2886751 0.0785786), wk = 0.0031746 k( 276) = ( 0.5000000 0.2886751 0.0628629), wk = 0.0031746 k( 277) = ( 0.5000000 0.2886751 0.0471472), wk = 0.0031746 k( 278) = ( 0.5000000 0.2886751 0.0314315), wk = 0.0031746 k( 279) = ( 0.5000000 0.2886751 0.0157157), wk = 0.0031746 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 282) = ( 0.3333333 0.5773503 0.0157157), wk = 0.0031746 k( 283) = ( 0.3333333 0.5773503 0.0314315), wk = 0.0031746 k( 284) = ( 0.3333333 0.5773503 0.0471472), wk = 0.0031746 k( 285) = ( 0.3333333 0.5773503 0.0628629), wk = 0.0031746 k( 286) = ( 0.3333333 0.5773503 0.0785786), wk = 0.0031746 k( 287) = ( 0.3333333 0.5773503 0.0942944), wk = 0.0031746 k( 288) = ( 0.3333333 0.5773503 0.1100101), wk = 0.0031746 k( 289) = ( 0.3333333 0.5773503 0.1257258), wk = 0.0031746 k( 290) = ( 0.3333333 0.5773503 0.1414416), wk = 0.0031746 k( 291) = ( 0.3333333 0.5773503 0.1571573), wk = 0.0031746 k( 292) = ( 0.3333333 0.5773503 0.1728730), wk = 0.0031746 k( 293) = ( 0.3333333 0.5773503 0.1885887), wk = 0.0031746 k( 294) = ( 0.3333333 0.5773503 0.2043045), wk = 0.0031746 k( 295) = ( 0.3333333 0.5773503 0.2200202), wk = 0.0031746 k( 296) = ( 0.3333333 0.5773503 0.2357359), wk = 0.0031746 k( 297) = ( 0.3333333 0.5773503 0.2514517), wk = 0.0031746 k( 298) = ( 0.3333333 0.5773503 0.2671674), wk = 0.0031746 k( 299) = ( 0.3333333 0.5773503 0.2828831), wk = 0.0031746 k( 300) = ( 0.3333333 0.5773503 0.2985988), wk = 0.0031746 k( 301) = ( 0.3333333 0.5773503 0.3143146), wk = 0.0031746 k( 302) = ( 0.3333333 0.5773503 0.3300303), wk = 0.0031746 k( 303) = ( 0.3333333 0.5773503 0.3457460), wk = 0.0031746 k( 304) = ( 0.3333333 0.5773503 0.3614617), wk = 0.0031746 k( 305) = ( 0.3333333 0.5773503 0.3771775), wk = 0.0031746 k( 306) = ( 0.3333333 0.5773503 0.3928932), wk = 0.0031746 k( 307) = ( 0.3333333 0.5773503 0.4086089), wk = 0.0031746 k( 308) = ( 0.3333333 0.5773503 0.4243247), wk = 0.0031746 k( 309) = ( 0.3333333 0.5773503 0.4400404), wk = 0.0031746 k( 310) = ( 0.3333333 0.5773503 0.4557561), wk = 0.0031746 k( 311) = ( 0.3333333 0.5773503 0.4714718), wk = 0.0031746 k( 312) = ( 0.3333333 0.5773503 0.4871876), wk = 0.0031746 k( 313) = ( 0.3333333 0.5773503 0.5029033), wk = 0.0031746 k( 314) = ( 0.3333333 0.5773503 0.5186190), wk = 0.0031746 k( 315) = ( 0.3333333 0.5773503 0.5343348), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0031746 k( 3) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0031746 k( 4) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0031746 k( 5) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0031746 k( 6) = ( 0.0675676 -0.0000000 0.0000000), wk = 0.0031746 k( 7) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0031746 k( 8) = ( 0.0945946 -0.0000000 0.0000000), wk = 0.0031746 k( 9) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0031746 k( 10) = ( 0.1216216 0.0000000 0.0000000), wk = 0.0031746 k( 11) = ( 0.1351351 -0.0000000 0.0000000), wk = 0.0031746 k( 12) = ( 0.1486486 -0.0000000 0.0000000), wk = 0.0031746 k( 13) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0031746 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0031746 k( 15) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0031746 k( 16) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0031746 k( 17) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0031746 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0031746 k( 19) = ( 0.2432432 0.0000000 0.0000000), wk = 0.0031746 k( 20) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0031746 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0031746 k( 22) = ( 0.2837838 -0.0000000 0.0000000), wk = 0.0031746 k( 23) = ( 0.2972973 -0.0000000 0.0000000), wk = 0.0031746 k( 24) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0031746 k( 25) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0031746 k( 26) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0031746 k( 27) = ( 0.3513514 0.0000000 0.0000000), wk = 0.0031746 k( 28) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0031746 k( 29) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0031746 k( 30) = ( 0.3918919 0.0000000 -0.0000000), wk = 0.0031746 k( 31) = ( 0.4054054 0.0000000 0.0000000), wk = 0.0031746 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0031746 k( 33) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0031746 k( 34) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0031746 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0031746 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0031746 k( 37) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0031746 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 40) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0031746 k( 41) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0031746 k( 42) = ( 0.4772727 0.0454546 0.0000000), wk = 0.0031746 k( 43) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0031746 k( 44) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0031746 k( 45) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0031746 k( 46) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0031746 k( 47) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0031746 k( 48) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0031746 k( 49) = ( 0.4242424 0.1515152 -0.0000000), wk = 0.0031746 k( 50) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0031746 k( 51) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0031746 k( 52) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0031746 k( 53) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0031746 k( 54) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0031746 k( 55) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0031746 k( 56) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0031746 k( 57) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0031746 k( 58) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0031746 k( 60) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0031746 k( 61) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031746 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031746 k( 63) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0031746 k( 64) = ( 0.3178295 0.3178295 -0.0000000), wk = 0.0031746 k( 65) = ( 0.3100775 0.3100775 0.0000000), wk = 0.0031746 k( 66) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0031746 k( 67) = ( 0.2945736 0.2945736 0.0000000), wk = 0.0031746 k( 68) = ( 0.2868217 0.2868217 -0.0000000), wk = 0.0031746 k( 69) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0031746 k( 70) = ( 0.2713178 0.2713178 0.0000000), wk = 0.0031746 k( 71) = ( 0.2635659 0.2635659 0.0000000), wk = 0.0031746 k( 72) = ( 0.2558140 0.2558139 0.0000000), wk = 0.0031746 k( 73) = ( 0.2480620 0.2480620 0.0000000), wk = 0.0031746 k( 74) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0031746 k( 75) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0031746 k( 76) = ( 0.2248062 0.2248062 -0.0000000), wk = 0.0031746 k( 77) = ( 0.2170543 0.2170543 0.0000000), wk = 0.0031746 k( 78) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0031746 k( 79) = ( 0.2015504 0.2015504 0.0000000), wk = 0.0031746 k( 80) = ( 0.1937985 0.1937984 -0.0000000), wk = 0.0031746 k( 81) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0031746 k( 82) = ( 0.1782946 0.1782946 0.0000000), wk = 0.0031746 k( 83) = ( 0.1705426 0.1705426 0.0000000), wk = 0.0031746 k( 84) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0031746 k( 85) = ( 0.1550388 0.1550388 0.0000000), wk = 0.0031746 k( 86) = ( 0.1472868 0.1472868 0.0000000), wk = 0.0031746 k( 87) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0031746 k( 88) = ( 0.1317830 0.1317830 0.0000000), wk = 0.0031746 k( 89) = ( 0.1240310 0.1240310 0.0000000), wk = 0.0031746 k( 90) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0031746 k( 91) = ( 0.1085271 0.1085271 0.0000000), wk = 0.0031746 k( 92) = ( 0.1007752 0.1007752 0.0000000), wk = 0.0031746 k( 93) = ( 0.0930233 0.0930233 0.0000000), wk = 0.0031746 k( 94) = ( 0.0852713 0.0852713 0.0000000), wk = 0.0031746 k( 95) = ( 0.0775194 0.0775194 0.0000000), wk = 0.0031746 k( 96) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0031746 k( 97) = ( 0.0620155 0.0620155 0.0000000), wk = 0.0031746 k( 98) = ( 0.0542636 0.0542636 0.0000000), wk = 0.0031746 k( 99) = ( 0.0465116 0.0465116 0.0000000), wk = 0.0031746 k( 100) = ( 0.0387597 0.0387597 0.0000000), wk = 0.0031746 k( 101) = ( 0.0310078 0.0310078 0.0000000), wk = 0.0031746 k( 102) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0031746 k( 103) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0031746 k( 104) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0031746 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 107) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0031746 k( 108) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0031746 k( 109) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0031746 k( 110) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0031746 k( 111) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0031746 k( 112) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0031746 k( 113) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0031746 k( 114) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0031746 k( 115) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0031746 k( 116) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0031746 k( 117) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0031746 k( 118) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0031746 k( 119) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0031746 k( 120) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0031746 k( 121) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0031746 k( 122) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 142) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0031746 k( 143) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0031746 k( 144) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0031746 k( 145) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0031746 k( 146) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0031746 k( 147) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0031746 k( 148) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0031746 k( 149) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0031746 k( 150) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0031746 k( 151) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0031746 k( 152) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0031746 k( 153) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0031746 k( 154) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0031746 k( 155) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0031746 k( 156) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0031746 k( 157) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0031746 k( 158) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0031746 k( 159) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0031746 k( 160) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0031746 k( 161) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0031746 k( 162) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0031746 k( 163) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0031746 k( 164) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0031746 k( 165) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0031746 k( 166) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0031746 k( 167) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0031746 k( 168) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0031746 k( 169) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0031746 k( 170) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0031746 k( 171) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0031746 k( 172) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0031746 k( 173) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0031746 k( 174) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0031746 k( 175) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0031746 k( 176) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0031746 k( 177) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0031746 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 180) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0031746 k( 181) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0031746 k( 182) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0031746 k( 183) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0031746 k( 184) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0031746 k( 185) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0031746 k( 186) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0031746 k( 187) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0031746 k( 188) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0031746 k( 189) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0031746 k( 190) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031746 k( 191) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0031746 k( 192) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0031746 k( 193) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0031746 k( 194) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0031746 k( 195) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0031746 k( 196) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0031746 k( 197) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0031746 k( 198) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0031746 k( 199) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0031746 k( 200) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0031746 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 k( 203) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0031746 k( 204) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0031746 k( 205) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0031746 k( 206) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0031746 k( 207) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0031746 k( 208) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0031746 k( 209) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0031746 k( 210) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0031746 k( 211) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0031746 k( 212) = ( 0.2558140 0.2558139 0.5000000), wk = 0.0031746 k( 213) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0031746 k( 214) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0031746 k( 215) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0031746 k( 216) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0031746 k( 217) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0031746 k( 218) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0031746 k( 219) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0031746 k( 220) = ( 0.1937985 0.1937984 0.5000000), wk = 0.0031746 k( 221) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0031746 k( 222) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0031746 k( 223) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0031746 k( 224) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0031746 k( 225) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0031746 k( 226) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0031746 k( 227) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0031746 k( 228) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0031746 k( 229) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0031746 k( 230) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0031746 k( 231) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0031746 k( 232) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0031746 k( 233) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0031746 k( 234) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0031746 k( 235) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0031746 k( 236) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0031746 k( 237) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0031746 k( 238) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0031746 k( 239) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0031746 k( 240) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0031746 k( 241) = ( 0.0310078 0.0310078 0.5000000), wk = 0.0031746 k( 242) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0031746 k( 243) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0031746 k( 244) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0031746 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 246) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 247) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0031746 k( 248) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0031746 k( 249) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0031746 k( 250) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0031746 k( 251) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0031746 k( 252) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0031746 k( 253) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0031746 k( 254) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0031746 k( 255) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0031746 k( 256) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0031746 k( 257) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0031746 k( 258) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0031746 k( 259) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0031746 k( 260) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0031746 k( 261) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0031746 k( 262) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0031746 k( 263) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0031746 k( 264) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0031746 k( 265) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0031746 k( 266) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0031746 k( 267) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0031746 k( 268) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0031746 k( 269) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0031746 k( 270) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0031746 k( 271) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0031746 k( 272) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0031746 k( 273) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0031746 k( 274) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0031746 k( 275) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0031746 k( 276) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0031746 k( 277) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0031746 k( 278) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0031746 k( 279) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0031746 k( 280) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 281) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031746 k( 282) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0031746 k( 283) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0031746 k( 284) = ( 0.3333333 0.3333333 0.0441177), wk = 0.0031746 k( 285) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0031746 k( 286) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0031746 k( 287) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0031746 k( 288) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0031746 k( 289) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0031746 k( 290) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0031746 k( 291) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0031746 k( 292) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0031746 k( 293) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0031746 k( 294) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0031746 k( 295) = ( 0.3333333 0.3333333 0.2058824), wk = 0.0031746 k( 296) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0031746 k( 297) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0031746 k( 298) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031746 k( 299) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0031746 k( 300) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0031746 k( 301) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0031746 k( 302) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0031746 k( 303) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0031746 k( 304) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0031746 k( 305) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0031746 k( 306) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0031746 k( 307) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0031746 k( 308) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0031746 k( 309) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0031746 k( 310) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0031746 k( 311) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0031746 k( 312) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0031746 k( 313) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0031746 k( 314) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0031746 k( 315) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 Dense grid: 95631 G-vectors FFT dimensions: ( 64, 64, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.66 Mb ( 696, 62) NL pseudopotentials 0.68 Mb ( 348, 128) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2658) G-vector shells 0.01 Mb ( 1214) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.63 Mb ( 696, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.24 Mb ( 128, 2, 62) The potential is recalculated from file : ./Li2ZrF6.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.6 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.5 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.4 secs Computing kpt #: 13 total cpu time spent up to now is 14.3 secs Computing kpt #: 14 total cpu time spent up to now is 15.3 secs Computing kpt #: 15 total cpu time spent up to now is 16.4 secs Computing kpt #: 16 total cpu time spent up to now is 17.4 secs Computing kpt #: 17 total cpu time spent up to now is 18.3 secs Computing kpt #: 18 total cpu time spent up to now is 19.4 secs Computing kpt #: 19 total cpu time spent up to now is 20.4 secs Computing kpt #: 20 total cpu time spent up to now is 21.4 secs Computing kpt #: 21 total cpu time spent up to now is 22.3 secs Computing kpt #: 22 total cpu time spent up to now is 23.3 secs Computing kpt #: 23 total cpu time spent up to now is 24.2 secs Computing kpt #: 24 total cpu time spent up to now is 25.2 secs Computing kpt #: 25 total cpu time spent up to now is 26.1 secs Computing kpt #: 26 total cpu time spent up to now is 27.2 secs Computing kpt #: 27 total cpu time spent up to now is 28.3 secs Computing kpt #: 28 total cpu time spent up to now is 29.4 secs Computing kpt #: 29 total cpu time spent up to now is 30.5 secs Computing kpt #: 30 total cpu time spent up to now is 31.7 secs Computing kpt #: 31 total cpu time spent up to now is 32.7 secs Computing kpt #: 32 total cpu time spent up to now is 33.8 secs Computing kpt #: 33 total cpu time spent up to now is 34.8 secs Computing kpt #: 34 total cpu time spent up to now is 35.7 secs Computing kpt #: 35 total cpu time spent up to now is 36.6 secs Computing kpt #: 36 total cpu time spent up to now is 37.5 secs Computing kpt #: 37 total cpu time spent up to now is 38.4 secs Computing kpt #: 38 total cpu time spent up to now is 39.3 secs Computing kpt #: 39 total cpu time spent up to now is 40.2 secs Computing kpt #: 40 total cpu time spent up to now is 41.1 secs Computing kpt #: 41 total cpu time spent up to now is 42.0 secs Computing kpt #: 42 total cpu time spent up to now is 42.9 secs Computing kpt #: 43 total cpu time spent up to now is 43.8 secs Computing kpt #: 44 total cpu time spent up to now is 44.7 secs Computing kpt #: 45 total cpu time spent up to now is 45.6 secs Computing kpt #: 46 total cpu time spent up to now is 46.5 secs Computing kpt #: 47 total cpu time spent up to now is 47.3 secs Computing kpt #: 48 total cpu time spent up to now is 48.2 secs Computing kpt #: 49 total cpu time spent up to now is 49.1 secs Computing kpt #: 50 total cpu time spent up to now is 50.0 secs Computing kpt #: 51 total cpu time spent up to now is 50.9 secs Computing kpt #: 52 total cpu time spent up to now is 51.8 secs Computing kpt #: 53 total cpu time spent up to now is 52.7 secs Computing kpt #: 54 total cpu time spent up to now is 53.6 secs Computing kpt #: 55 total cpu time spent up to now is 54.5 secs Computing kpt #: 56 total cpu time spent up to now is 55.4 secs Computing kpt #: 57 total cpu time spent up to now is 56.3 secs Computing kpt #: 58 total cpu time spent up to now is 57.2 secs Computing kpt #: 59 total cpu time spent up to now is 58.2 secs Computing kpt #: 60 total cpu time spent up to now is 59.1 secs Computing kpt #: 61 total cpu time spent up to now is 60.0 secs Computing kpt #: 62 total cpu time spent up to now is 60.9 secs Computing kpt #: 63 total cpu time spent up to now is 61.9 secs Computing kpt #: 64 total cpu time spent up to now is 62.8 secs Computing kpt #: 65 total cpu time spent up to now is 63.7 secs Computing kpt #: 66 total cpu time spent up to now is 64.7 secs Computing kpt #: 67 total cpu time spent up to now is 65.6 secs Computing kpt #: 68 total cpu time spent up to now is 66.5 secs Computing kpt #: 69 total cpu time spent up to now is 67.4 secs Computing kpt #: 70 total cpu time spent up to now is 68.2 secs Computing kpt #: 71 total cpu time spent up to now is 69.1 secs Computing kpt #: 72 total cpu time spent up to now is 70.0 secs Computing kpt #: 73 total cpu time spent up to now is 70.9 secs Computing kpt #: 74 total cpu time spent up to now is 71.8 secs Computing kpt #: 75 total cpu time spent up to now is 72.7 secs Computing kpt #: 76 total cpu time spent up to now is 73.6 secs Computing kpt #: 77 total cpu time spent up to now is 74.5 secs Computing kpt #: 78 total cpu time spent up to now is 75.4 secs Computing kpt #: 79 total cpu time spent up to now is 76.4 secs Computing kpt #: 80 total cpu time spent up to now is 77.3 secs Computing kpt #: 81 total cpu time spent up to now is 78.2 secs Computing kpt #: 82 total cpu time spent up to now is 79.2 secs Computing kpt #: 83 total cpu time spent up to now is 80.1 secs Computing kpt #: 84 total cpu time spent up to now is 81.0 secs Computing kpt #: 85 total cpu time spent up to now is 82.0 secs Computing kpt #: 86 total cpu time spent up to now is 82.9 secs Computing kpt #: 87 total cpu time spent up to now is 83.8 secs Computing kpt #: 88 total cpu time spent up to now is 84.8 secs Computing kpt #: 89 total cpu time spent up to now is 85.8 secs Computing kpt #: 90 total cpu time spent up to now is 86.9 secs Computing kpt #: 91 total cpu time spent up to now is 87.9 secs Computing kpt #: 92 total cpu time spent up to now is 88.8 secs Computing kpt #: 93 total cpu time spent up to now is 89.8 secs Computing kpt #: 94 total cpu time spent up to now is 90.8 secs Computing kpt #: 95 total cpu time spent up to now is 91.9 secs Computing kpt #: 96 total cpu time spent up to now is 92.8 secs Computing kpt #: 97 total cpu time spent up to now is 93.8 secs Computing kpt #: 98 total cpu time spent up to now is 94.7 secs Computing kpt #: 99 total cpu time spent up to now is 95.8 secs Computing kpt #: 100 total cpu time spent up to now is 96.9 secs Computing kpt #: 101 total cpu time spent up to now is 98.0 secs Computing kpt #: 102 total cpu time spent up to now is 99.0 secs Computing kpt #: 103 total cpu time spent up to now is 100.1 secs Computing kpt #: 104 total cpu time spent up to now is 101.2 secs Computing kpt #: 105 total cpu time spent up to now is 102.1 secs Computing kpt #: 106 total cpu time spent up to now is 103.2 secs Computing kpt #: 107 total cpu time spent up to now is 104.3 secs Computing kpt #: 108 total cpu time spent up to now is 105.4 secs Computing kpt #: 109 total cpu time spent up to now is 106.5 secs Computing kpt #: 110 total cpu time spent up to now is 107.4 secs Computing kpt #: 111 total cpu time spent up to now is 108.4 secs Computing kpt #: 112 total cpu time spent up to now is 109.5 secs Computing kpt #: 113 total cpu time spent up to now is 110.6 secs Computing kpt #: 114 total cpu time spent up to now is 111.7 secs Computing kpt #: 115 total cpu time spent up to now is 112.8 secs Computing kpt #: 116 total cpu time spent up to now is 113.7 secs Computing kpt #: 117 total cpu time spent up to now is 114.8 secs Computing kpt #: 118 total cpu time spent up to now is 115.9 secs Computing kpt #: 119 total cpu time spent up to now is 117.0 secs Computing kpt #: 120 total cpu time spent up to now is 118.1 secs Computing kpt #: 121 total cpu time spent up to now is 119.2 secs Computing kpt #: 122 total cpu time spent up to now is 120.2 secs Computing kpt #: 123 total cpu time spent up to now is 121.2 secs Computing kpt #: 124 total cpu time spent up to now is 122.3 secs Computing kpt #: 125 total cpu time spent up to now is 123.2 secs Computing kpt #: 126 total cpu time spent up to now is 124.3 secs Computing kpt #: 127 total cpu time spent up to now is 125.3 secs Computing kpt #: 128 total cpu time spent up to now is 126.3 secs Computing kpt #: 129 total cpu time spent up to now is 127.2 secs Computing kpt #: 130 total cpu time spent up to now is 128.3 secs Computing kpt #: 131 total cpu time spent up to now is 129.3 secs Computing kpt #: 132 total cpu time spent up to now is 130.4 secs Computing kpt #: 133 total cpu time spent up to now is 131.6 secs Computing kpt #: 134 total cpu time spent up to now is 133.4 secs Computing kpt #: 135 total cpu time spent up to now is 134.5 secs Computing kpt #: 136 total cpu time spent up to now is 135.5 secs Computing kpt #: 137 total cpu time spent up to now is 136.4 secs Computing kpt #: 138 total cpu time spent up to now is 137.3 secs Computing kpt #: 139 total cpu time spent up to now is 138.2 secs Computing kpt #: 140 total cpu time spent up to now is 139.0 secs Computing kpt #: 141 total cpu time spent up to now is 139.9 secs Computing kpt #: 142 total cpu time spent up to now is 140.8 secs Computing kpt #: 143 total cpu time spent up to now is 141.7 secs Computing kpt #: 144 total cpu time spent up to now is 142.6 secs Computing kpt #: 145 total cpu time spent up to now is 143.6 secs Computing kpt #: 146 total cpu time spent up to now is 144.5 secs Computing kpt #: 147 total cpu time spent up to now is 145.4 secs Computing kpt #: 148 total cpu time spent up to now is 146.3 secs Computing kpt #: 149 total cpu time spent up to now is 147.2 secs Computing kpt #: 150 total cpu time spent up to now is 148.1 secs Computing kpt #: 151 total cpu time spent up to now is 149.0 secs Computing kpt #: 152 total cpu time spent up to now is 149.9 secs Computing kpt #: 153 total cpu time spent up to now is 150.8 secs Computing kpt #: 154 total cpu time spent up to now is 151.7 secs Computing kpt #: 155 total cpu time spent up to now is 152.6 secs Computing kpt #: 156 total cpu time spent up to now is 153.5 secs Computing kpt #: 157 total cpu time spent up to now is 154.4 secs Computing kpt #: 158 total cpu time spent up to now is 155.4 secs Computing kpt #: 159 total cpu time spent up to now is 156.3 secs Computing kpt #: 160 total cpu time spent up to now is 157.1 secs Computing kpt #: 161 total cpu time spent up to now is 158.0 secs Computing kpt #: 162 total cpu time spent up to now is 158.9 secs Computing kpt #: 163 total cpu time spent up to now is 159.8 secs Computing kpt #: 164 total cpu time spent up to now is 160.6 secs Computing kpt #: 165 total cpu time spent up to now is 161.5 secs Computing kpt #: 166 total cpu time spent up to now is 162.3 secs Computing kpt #: 167 total cpu time spent up to now is 163.2 secs Computing kpt #: 168 total cpu time spent up to now is 164.0 secs Computing kpt #: 169 total cpu time spent up to now is 164.9 secs Computing kpt #: 170 total cpu time spent up to now is 165.7 secs Computing kpt #: 171 total cpu time spent up to now is 166.5 secs Computing kpt #: 172 total cpu time spent up to now is 167.4 secs Computing kpt #: 173 total cpu time spent up to now is 168.2 secs Computing kpt #: 174 total cpu time spent up to now is 169.0 secs Computing kpt #: 175 total cpu time spent up to now is 169.9 secs Computing kpt #: 176 total cpu time spent up to now is 170.7 secs Computing kpt #: 177 total cpu time spent up to now is 171.5 secs Computing kpt #: 178 total cpu time spent up to now is 172.4 secs Computing kpt #: 179 total cpu time spent up to now is 173.2 secs Computing kpt #: 180 total cpu time spent up to now is 174.0 secs Computing kpt #: 181 total cpu time spent up to now is 174.8 secs Computing kpt #: 182 total cpu time spent up to now is 175.7 secs Computing kpt #: 183 total cpu time spent up to now is 176.5 secs Computing kpt #: 184 total cpu time spent up to now is 177.4 secs Computing kpt #: 185 total cpu time spent up to now is 178.2 secs Computing kpt #: 186 total cpu time spent up to now is 179.0 secs Computing kpt #: 187 total cpu time spent up to now is 179.9 secs Computing kpt #: 188 total cpu time spent up to now is 180.7 secs Computing kpt #: 189 total cpu time spent up to now is 181.5 secs Computing kpt #: 190 total cpu time spent up to now is 182.4 secs Computing kpt #: 191 total cpu time spent up to now is 183.2 secs Computing kpt #: 192 total cpu time spent up to now is 184.0 secs Computing kpt #: 193 total cpu time spent up to now is 184.8 secs Computing kpt #: 194 total cpu time spent up to now is 185.7 secs Computing kpt #: 195 total cpu time spent up to now is 186.5 secs Computing kpt #: 196 total cpu time spent up to now is 187.3 secs Computing kpt #: 197 total cpu time spent up to now is 188.2 secs Computing kpt #: 198 total cpu time spent up to now is 189.0 secs Computing kpt #: 199 total cpu time spent up to now is 189.8 secs Computing kpt #: 200 total cpu time spent up to now is 190.7 secs Computing kpt #: 201 total cpu time spent up to now is 191.5 secs Computing kpt #: 202 total cpu time spent up to now is 192.3 secs Computing kpt #: 203 total cpu time spent up to now is 193.2 secs Computing kpt #: 204 total cpu time spent up to now is 194.0 secs Computing kpt #: 205 total cpu time spent up to now is 194.8 secs Computing kpt #: 206 total cpu time spent up to now is 195.6 secs Computing kpt #: 207 total cpu time spent up to now is 196.5 secs Computing kpt #: 208 total cpu time spent up to now is 197.3 secs Computing kpt #: 209 total cpu time spent up to now is 198.1 secs Computing kpt #: 210 total cpu time spent up to now is 199.0 secs Computing kpt #: 211 total cpu time spent up to now is 199.8 secs Computing kpt #: 212 total cpu time spent up to now is 200.6 secs Computing kpt #: 213 total cpu time spent up to now is 201.5 secs Computing kpt #: 214 total cpu time spent up to now is 202.3 secs Computing kpt #: 215 total cpu time spent up to now is 203.2 secs Computing kpt #: 216 total cpu time spent up to now is 204.0 secs Computing kpt #: 217 total cpu time spent up to now is 204.9 secs Computing kpt #: 218 total cpu time spent up to now is 205.7 secs Computing kpt #: 219 total cpu time spent up to now is 206.6 secs Computing kpt #: 220 total cpu time spent up to now is 207.4 secs Computing kpt #: 221 total cpu time spent up to now is 208.3 secs Computing kpt #: 222 total cpu time spent up to now is 209.2 secs Computing kpt #: 223 total cpu time spent up to now is 210.1 secs Computing kpt #: 224 total cpu time spent up to now is 210.9 secs Computing kpt #: 225 total cpu time spent up to now is 211.8 secs Computing kpt #: 226 total cpu time spent up to now is 212.7 secs Computing kpt #: 227 total cpu time spent up to now is 213.7 secs Computing kpt #: 228 total cpu time spent up to now is 214.6 secs Computing kpt #: 229 total cpu time spent up to now is 215.5 secs Computing kpt #: 230 total cpu time spent up to now is 216.5 secs Computing kpt #: 231 total cpu time spent up to now is 217.4 secs Computing kpt #: 232 total cpu time spent up to now is 218.3 secs Computing kpt #: 233 total cpu time spent up to now is 219.2 secs Computing kpt #: 234 total cpu time spent up to now is 220.1 secs Computing kpt #: 235 total cpu time spent up to now is 221.0 secs Computing kpt #: 236 total cpu time spent up to now is 221.9 secs Computing kpt #: 237 total cpu time spent up to now is 222.8 secs Computing kpt #: 238 total cpu time spent up to now is 223.7 secs Computing kpt #: 239 total cpu time spent up to now is 224.6 secs Computing kpt #: 240 total cpu time spent up to now is 225.5 secs Computing kpt #: 241 total cpu time spent up to now is 226.4 secs Computing kpt #: 242 total cpu time spent up to now is 227.3 secs Computing kpt #: 243 total cpu time spent up to now is 228.2 secs Computing kpt #: 244 total cpu time spent up to now is 229.1 secs Computing kpt #: 245 total cpu time spent up to now is 230.0 secs Computing kpt #: 246 total cpu time spent up to now is 230.8 secs Computing kpt #: 247 total cpu time spent up to now is 231.6 secs Computing kpt #: 248 total cpu time spent up to now is 232.5 secs Computing kpt #: 249 total cpu time spent up to now is 233.3 secs Computing kpt #: 250 total cpu time spent up to now is 234.1 secs Computing kpt #: 251 total cpu time spent up to now is 235.0 secs Computing kpt #: 252 total cpu time spent up to now is 235.8 secs Computing kpt #: 253 total cpu time spent up to now is 236.6 secs Computing kpt #: 254 total cpu time spent up to now is 237.5 secs Computing kpt #: 255 total cpu time spent up to now is 238.3 secs Computing kpt #: 256 total cpu time spent up to now is 239.2 secs Computing kpt #: 257 total cpu time spent up to now is 240.1 secs Computing kpt #: 258 total cpu time spent up to now is 240.9 secs Computing kpt #: 259 total cpu time spent up to now is 241.8 secs Computing kpt #: 260 total cpu time spent up to now is 242.6 secs Computing kpt #: 261 total cpu time spent up to now is 243.5 secs Computing kpt #: 262 total cpu time spent up to now is 244.3 secs Computing kpt #: 263 total cpu time spent up to now is 245.2 secs Computing kpt #: 264 total cpu time spent up to now is 246.1 secs Computing kpt #: 265 total cpu time spent up to now is 246.9 secs Computing kpt #: 266 total cpu time spent up to now is 247.8 secs Computing kpt #: 267 total cpu time spent up to now is 248.6 secs Computing kpt #: 268 total cpu time spent up to now is 249.6 secs Computing kpt #: 269 total cpu time spent up to now is 250.6 secs Computing kpt #: 270 total cpu time spent up to now is 251.6 secs Computing kpt #: 271 total cpu time spent up to now is 252.5 secs Computing kpt #: 272 total cpu time spent up to now is 253.4 secs Computing kpt #: 273 total cpu time spent up to now is 254.3 secs Computing kpt #: 274 total cpu time spent up to now is 255.2 secs Computing kpt #: 275 total cpu time spent up to now is 256.1 secs Computing kpt #: 276 total cpu time spent up to now is 256.9 secs Computing kpt #: 277 total cpu time spent up to now is 257.8 secs Computing kpt #: 278 total cpu time spent up to now is 258.7 secs Computing kpt #: 279 total cpu time spent up to now is 259.6 secs Computing kpt #: 280 total cpu time spent up to now is 260.5 secs Computing kpt #: 281 total cpu time spent up to now is 261.4 secs Computing kpt #: 282 total cpu time spent up to now is 262.3 secs Computing kpt #: 283 total cpu time spent up to now is 263.2 secs Computing kpt #: 284 total cpu time spent up to now is 264.2 secs Computing kpt #: 285 total cpu time spent up to now is 265.1 secs Computing kpt #: 286 total cpu time spent up to now is 266.2 secs Computing kpt #: 287 total cpu time spent up to now is 267.3 secs Computing kpt #: 288 total cpu time spent up to now is 268.4 secs Computing kpt #: 289 total cpu time spent up to now is 269.5 secs Computing kpt #: 290 total cpu time spent up to now is 270.6 secs Computing kpt #: 291 total cpu time spent up to now is 271.7 secs Computing kpt #: 292 total cpu time spent up to now is 272.8 secs Computing kpt #: 293 total cpu time spent up to now is 273.9 secs Computing kpt #: 294 total cpu time spent up to now is 275.0 secs Computing kpt #: 295 total cpu time spent up to now is 275.9 secs Computing kpt #: 296 total cpu time spent up to now is 276.8 secs Computing kpt #: 297 total cpu time spent up to now is 277.7 secs Computing kpt #: 298 total cpu time spent up to now is 278.6 secs Computing kpt #: 299 total cpu time spent up to now is 279.5 secs Computing kpt #: 300 total cpu time spent up to now is 280.4 secs Computing kpt #: 301 total cpu time spent up to now is 281.2 secs Computing kpt #: 302 total cpu time spent up to now is 282.1 secs Computing kpt #: 303 total cpu time spent up to now is 283.0 secs Computing kpt #: 304 total cpu time spent up to now is 283.8 secs Computing kpt #: 305 total cpu time spent up to now is 284.7 secs Computing kpt #: 306 total cpu time spent up to now is 285.5 secs Computing kpt #: 307 total cpu time spent up to now is 286.3 secs Computing kpt #: 308 total cpu time spent up to now is 287.2 secs Computing kpt #: 309 total cpu time spent up to now is 288.0 secs Computing kpt #: 310 total cpu time spent up to now is 288.8 secs Computing kpt #: 311 total cpu time spent up to now is 289.7 secs Computing kpt #: 312 total cpu time spent up to now is 290.5 secs Computing kpt #: 313 total cpu time spent up to now is 291.3 secs Computing kpt #: 314 total cpu time spent up to now is 292.1 secs Computing kpt #: 315 total cpu time spent up to now is 293.0 secs ethr = 1.92E-08, avg # of iterations = 17.3 total cpu time spent up to now is 293.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11969 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6294 -19.6294 -19.1970 -19.1970 -19.1970 -19.1970 -18.9011 -18.9011 -18.7855 -18.7855 -18.7614 -18.7614 -2.5246 -2.5246 -2.5147 -2.5147 -2.3441 -2.3441 -1.5845 -1.5845 -1.2503 -1.2503 -1.2362 -1.2362 -1.1315 -1.1315 -0.7548 -0.7548 -0.7466 -0.7466 -0.4783 -0.4783 -0.2836 -0.2836 -0.2214 -0.2214 -0.1918 -0.1918 0.1971 0.1971 0.2232 0.2232 0.5158 0.5158 0.5739 0.5739 0.5873 0.5873 7.3458 7.3458 7.5976 7.5976 7.6751 7.6751 9.2585 9.2585 11.3136 11.3136 k = 0.0135 0.0078-0.0000 ( 11969 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6291 -19.6291 -19.1971 -19.1971 -19.1970 -19.1970 -18.9009 -18.9009 -18.7858 -18.7858 -18.7617 -18.7617 -2.5241 -2.5241 -2.5142 -2.5142 -2.3435 -2.3435 -1.5852 -1.5852 -1.2547 -1.2547 -1.2400 -1.2400 -1.1240 -1.1240 -0.7555 -0.7555 -0.7464 -0.7464 -0.4751 -0.4751 -0.2836 -0.2836 -0.2222 -0.2222 -0.1928 -0.1928 0.1973 0.1973 0.2233 0.2233 0.5150 0.5150 0.5728 0.5728 0.5872 0.5872 7.3458 7.3458 7.5973 7.5973 7.6747 7.6747 9.2606 9.2606 11.3134 11.3134 k = 0.0270 0.0156-0.0000 ( 11965 PWs) bands (ev): -40.2504 -40.2504 -40.2277 -40.2277 -19.6281 -19.6281 -19.1972 -19.1972 -19.1971 -19.1971 -18.9003 -18.9003 -18.7865 -18.7865 -18.7624 -18.7624 -2.5227 -2.5227 -2.5123 -2.5123 -2.3417 -2.3417 -1.5870 -1.5870 -1.2696 -1.2696 -1.2461 -1.2461 -1.1053 -1.1053 -0.7603 -0.7603 -0.7426 -0.7426 -0.4658 -0.4658 -0.2837 -0.2837 -0.2247 -0.2247 -0.1958 -0.1958 0.1980 0.1980 0.2236 0.2236 0.5124 0.5124 0.5698 0.5698 0.5867 0.5867 7.3457 7.3457 7.5964 7.5964 7.6738 7.6738 9.2670 9.2670 11.3127 11.3127 k = 0.0405 0.0234-0.0000 ( 11947 PWs) bands (ev): -40.2504 -40.2504 -40.2277 -40.2277 -19.6265 -19.6265 -19.1975 -19.1975 -19.1972 -19.1972 -18.8992 -18.8992 -18.7877 -18.7877 -18.7636 -18.7636 -2.5208 -2.5208 -2.5088 -2.5088 -2.3388 -2.3388 -1.5900 -1.5900 -1.2909 -1.2909 -1.2526 -1.2526 -1.0810 -1.0810 -0.7693 -0.7693 -0.7344 -0.7344 -0.4513 -0.4513 -0.2843 -0.2843 -0.2287 -0.2287 -0.2003 -0.2003 0.1990 0.1990 0.2240 0.2240 0.5077 0.5077 0.5649 0.5649 0.5861 0.5861 7.3455 7.3455 7.5948 7.5948 7.6722 7.6722 9.2776 9.2776 11.3117 11.3117 k = 0.0541 0.0312-0.0000 ( 11937 PWs) bands (ev): -40.2503 -40.2503 -40.2278 -40.2278 -19.6243 -19.6243 -19.1978 -19.1978 -19.1974 -19.1974 -18.8979 -18.8979 -18.7893 -18.7893 -18.7653 -18.7653 -2.5188 -2.5188 -2.5033 -2.5033 -2.3346 -2.3346 -1.5942 -1.5942 -1.3145 -1.3145 -1.2604 -1.2604 -1.0540 -1.0540 -0.7810 -0.7810 -0.7228 -0.7228 -0.4329 -0.4329 -0.2861 -0.2861 -0.2342 -0.2342 -0.2052 -0.2052 0.2002 0.2002 0.2245 0.2245 0.5004 0.5004 0.5588 0.5588 0.5854 0.5854 7.3452 7.3452 7.5927 7.5927 7.6699 7.6699 9.2924 9.2924 11.3102 11.3102 k = 0.0676 0.0390-0.0000 ( 11927 PWs) bands (ev): -40.2502 -40.2502 -40.2278 -40.2278 -19.6215 -19.6215 -19.1982 -19.1982 -19.1976 -19.1976 -18.8961 -18.8961 -18.7915 -18.7915 -18.7675 -18.7675 -2.5168 -2.5168 -2.4957 -2.4957 -2.3292 -2.3292 -1.5996 -1.5996 -1.3386 -1.3386 -1.2700 -1.2700 -1.0254 -1.0254 -0.7942 -0.7942 -0.7083 -0.7083 -0.4117 -0.4117 -0.2900 -0.2900 -0.2415 -0.2415 -0.2089 -0.2089 0.2012 0.2012 0.2250 0.2250 0.4899 0.4899 0.5523 0.5523 0.5847 0.5847 7.3447 7.3447 7.5899 7.5899 7.6671 7.6671 9.3113 9.3113 11.3084 11.3084 k = 0.0811 0.0468-0.0000 ( 11917 PWs) bands (ev): -40.2501 -40.2501 -40.2279 -40.2279 -19.6180 -19.6180 -19.1986 -19.1986 -19.1978 -19.1978 -18.8940 -18.8940 -18.7941 -18.7941 -18.7700 -18.7700 -2.5147 -2.5147 -2.4863 -2.4863 -2.3227 -2.3227 -1.6063 -1.6063 -1.3621 -1.3621 -1.2811 -1.2811 -0.9959 -0.9959 -0.8082 -0.8082 -0.6915 -0.6915 -0.3889 -0.3889 -0.2964 -0.2964 -0.2513 -0.2513 -0.2093 -0.2093 0.2018 0.2018 0.2253 0.2253 0.4757 0.4757 0.5459 0.5459 0.5838 0.5838 7.3442 7.3442 7.5866 7.5866 7.6637 7.6637 9.3343 9.3343 11.3064 11.3064 k = 0.0946 0.0546-0.0000 ( 11919 PWs) bands (ev): -40.2500 -40.2500 -40.2281 -40.2281 -19.6139 -19.6139 -19.1991 -19.1991 -19.1981 -19.1981 -18.8917 -18.8917 -18.7973 -18.7973 -18.7729 -18.7729 -2.5124 -2.5124 -2.4751 -2.4751 -2.3150 -2.3150 -1.6142 -1.6142 -1.3846 -1.3846 -1.2935 -1.2935 -0.9655 -0.9655 -0.8224 -0.8224 -0.6729 -0.6729 -0.3660 -0.3660 -0.3046 -0.3046 -0.2635 -0.2635 -0.2060 -0.2060 0.2017 0.2017 0.2255 0.2255 0.4578 0.4578 0.5401 0.5401 0.5829 0.5829 7.3434 7.3434 7.5827 7.5827 7.6597 7.6597 9.3612 9.3612 11.3045 11.3045 k = 0.1081 0.0624-0.0000 ( 11913 PWs) bands (ev): -40.2499 -40.2499 -40.2282 -40.2282 -19.6092 -19.6092 -19.1996 -19.1996 -19.1984 -19.1984 -18.8892 -18.8892 -18.8011 -18.8011 -18.7760 -18.7760 -2.5098 -2.5098 -2.4623 -2.4623 -2.3061 -2.3061 -1.6234 -1.6234 -1.4055 -1.4055 -1.3071 -1.3071 -0.9346 -0.9346 -0.8364 -0.8364 -0.6532 -0.6532 -0.3473 -0.3473 -0.3107 -0.3107 -0.2774 -0.2774 -0.1990 -0.1990 0.2006 0.2006 0.2251 0.2251 0.4366 0.4366 0.5347 0.5347 0.5817 0.5817 7.3424 7.3424 7.5783 7.5783 7.6552 7.6552 9.3919 9.3919 11.3028 11.3028 k = 0.1216 0.0702-0.0000 ( 11909 PWs) bands (ev): -40.2497 -40.2497 -40.2283 -40.2283 -19.6040 -19.6040 -19.2002 -19.2002 -19.1987 -19.1987 -18.8865 -18.8865 -18.8054 -18.8054 -18.7794 -18.7794 -2.5069 -2.5069 -2.4480 -2.4480 -2.2962 -2.2962 -1.6340 -1.6340 -1.4243 -1.4243 -1.3214 -1.3214 -0.9032 -0.9032 -0.8501 -0.8501 -0.6330 -0.6330 -0.3454 -0.3454 -0.3046 -0.3046 -0.2900 -0.2900 -0.1889 -0.1889 0.1981 0.1981 0.2239 0.2239 0.4128 0.4128 0.5297 0.5297 0.5804 0.5804 7.3411 7.3411 7.5733 7.5733 7.6502 7.6502 9.4263 9.4263 11.3016 11.3016 k = 0.1351 0.0780-0.0000 ( 11911 PWs) bands (ev): -40.2495 -40.2495 -40.2285 -40.2285 -19.5982 -19.5982 -19.2007 -19.2007 -19.1989 -19.1989 -18.8838 -18.8838 -18.8102 -18.8102 -18.7828 -18.7828 -2.5037 -2.5037 -2.4325 -2.4325 -2.2851 -2.2851 -1.6461 -1.6461 -1.4408 -1.4408 -1.3363 -1.3363 -0.8736 -0.8736 -0.8612 -0.8612 -0.6134 -0.6134 -0.3570 -0.3570 -0.3108 -0.3108 -0.2790 -0.2790 -0.1759 -0.1759 0.1942 0.1942 0.2213 0.2213 0.3874 0.3874 0.5249 0.5249 0.5787 0.5787 7.3395 7.3395 7.5680 7.5680 7.6447 7.6447 9.4642 9.4642 11.3012 11.3012 k = 0.1486 0.0858-0.0000 ( 11919 PWs) bands (ev): -40.2494 -40.2494 -40.2287 -40.2287 -19.5919 -19.5919 -19.2011 -19.2011 -19.1992 -19.1992 -18.8811 -18.8811 -18.8155 -18.8155 -18.7864 -18.7864 -2.5001 -2.5001 -2.4157 -2.4157 -2.2730 -2.2730 -1.6595 -1.6595 -1.4546 -1.4546 -1.3512 -1.3512 -0.8782 -0.8782 -0.8374 -0.8374 -0.5955 -0.5955 -0.3725 -0.3725 -0.3245 -0.3245 -0.2580 -0.2580 -0.1600 -0.1600 0.1887 0.1887 0.2159 0.2159 0.3617 0.3617 0.5204 0.5204 0.5768 0.5768 7.3376 7.3376 7.5621 7.5621 7.6389 7.6389 9.5054 9.5054 11.3018 11.3018 k = 0.1622 0.0936-0.0000 ( 11903 PWs) bands (ev): -40.2492 -40.2492 -40.2289 -40.2289 -19.5850 -19.5850 -19.2016 -19.2016 -19.1995 -19.1995 -18.8786 -18.8786 -18.8214 -18.8214 -18.7898 -18.7898 -2.4963 -2.4963 -2.3979 -2.3979 -2.2600 -2.2600 -1.6742 -1.6742 -1.4657 -1.4657 -1.3660 -1.3660 -0.8906 -0.8906 -0.8050 -0.8050 -0.5811 -0.5811 -0.3897 -0.3897 -0.3359 -0.3359 -0.2376 -0.2376 -0.1414 -0.1414 0.1818 0.1818 0.2061 0.2061 0.3377 0.3377 0.5159 0.5159 0.5746 0.5746 7.3353 7.3353 7.5559 7.5559 7.6326 7.6326 9.5497 9.5497 11.3037 11.3037 k = 0.1757 0.1014-0.0000 ( 11898 PWs) bands (ev): -40.2489 -40.2489 -40.2291 -40.2291 -19.5777 -19.5777 -19.2019 -19.2019 -19.1997 -19.1997 -18.8765 -18.8765 -18.8276 -18.8276 -18.7931 -18.7931 -2.4922 -2.4922 -2.3794 -2.3794 -2.2460 -2.2460 -1.6899 -1.6899 -1.4740 -1.4740 -1.3802 -1.3802 -0.9028 -0.9028 -0.7722 -0.7722 -0.5721 -0.5721 -0.4078 -0.4078 -0.3426 -0.3426 -0.2188 -0.2188 -0.1204 -0.1204 0.1734 0.1734 0.1897 0.1897 0.3178 0.3178 0.5116 0.5116 0.5720 0.5720 7.3327 7.3327 7.5494 7.5494 7.6261 7.6261 9.5968 9.5968 11.3069 11.3069 k = 0.1892 0.1092-0.0000 ( 11896 PWs) bands (ev): -40.2487 -40.2487 -40.2293 -40.2293 -19.5699 -19.5699 -19.2022 -19.2022 -19.1998 -19.1998 -18.8751 -18.8751 -18.8340 -18.8340 -18.7962 -18.7962 -2.4877 -2.4877 -2.3602 -2.3602 -2.2312 -2.2312 -1.7063 -1.7063 -1.4797 -1.4797 -1.3936 -1.3936 -0.9148 -0.9148 -0.7393 -0.7393 -0.5701 -0.5701 -0.4267 -0.4267 -0.3427 -0.3427 -0.2019 -0.2019 -0.0977 -0.0977 0.1622 0.1622 0.1671 0.1671 0.3032 0.3032 0.5074 0.5074 0.5689 0.5689 7.3296 7.3296 7.5426 7.5426 7.6193 7.6193 9.6466 9.6466 11.3117 11.3117 k = 0.2027 0.1170-0.0000 ( 11888 PWs) bands (ev): -40.2485 -40.2485 -40.2296 -40.2296 -19.5616 -19.5616 -19.2024 -19.2024 -19.1999 -19.1999 -18.8749 -18.8749 -18.8402 -18.8402 -18.7988 -18.7988 -2.4830 -2.4830 -2.3407 -2.3407 -2.2156 -2.2156 -1.7230 -1.7230 -1.4828 -1.4828 -1.4057 -1.4057 -0.9264 -0.9264 -0.7065 -0.7065 -0.5760 -0.5760 -0.4461 -0.4461 -0.3356 -0.3356 -0.1866 -0.1866 -0.0740 -0.0740 0.1330 0.1330 0.1547 0.1547 0.2937 0.2937 0.5032 0.5032 0.5655 0.5655 7.3262 7.3262 7.5355 7.5355 7.6123 7.6123 9.6986 9.6986 11.3176 11.3176 k = 0.2162 0.1248-0.0000 ( 11896 PWs) bands (ev): -40.2482 -40.2482 -40.2298 -40.2298 -19.5530 -19.5530 -19.2025 -19.2025 -19.1999 -19.1999 -18.8765 -18.8765 -18.8459 -18.8459 -18.8009 -18.8009 -2.4780 -2.4780 -2.3210 -2.3210 -2.1995 -2.1995 -1.7396 -1.7396 -1.4836 -1.4836 -1.4163 -1.4163 -0.9376 -0.9376 -0.6744 -0.6744 -0.5886 -0.5886 -0.4655 -0.4655 -0.3222 -0.3222 -0.1731 -0.1731 -0.0503 -0.0503 0.0961 0.0961 0.1445 0.1445 0.2875 0.2875 0.4991 0.4991 0.5616 0.5616 7.3223 7.3223 7.5283 7.5283 7.6052 7.6052 9.7526 9.7526 11.3236 11.3236 k = 0.2297 0.1326-0.0000 ( 11912 PWs) bands (ev): -40.2479 -40.2479 -40.2301 -40.2301 -19.5441 -19.5441 -19.2025 -19.2025 -19.1998 -19.1998 -18.8803 -18.8803 -18.8505 -18.8505 -18.8023 -18.8023 -2.4728 -2.4728 -2.3016 -2.3016 -2.1829 -2.1829 -1.7557 -1.7557 -1.4821 -1.4821 -1.4249 -1.4249 -0.9486 -0.9486 -0.6447 -0.6447 -0.6051 -0.6051 -0.4847 -0.4847 -0.3043 -0.3043 -0.1616 -0.1616 -0.0275 -0.0275 0.0555 0.0555 0.1352 0.1352 0.2832 0.2832 0.4950 0.4950 0.5572 0.5572 7.3179 7.3179 7.5209 7.5209 7.5981 7.5981 9.8082 9.8082 11.3297 11.3297 k = 0.2432 0.1404-0.0000 ( 11900 PWs) bands (ev): -40.2477 -40.2477 -40.2304 -40.2304 -19.5348 -19.5348 -19.2024 -19.2024 -19.1995 -19.1995 -18.8866 -18.8866 -18.8542 -18.8542 -18.8029 -18.8029 -2.4675 -2.4675 -2.2826 -2.2826 -2.1660 -2.1660 -1.7708 -1.7708 -1.4786 -1.4786 -1.4313 -1.4313 -0.9592 -0.9592 -0.6378 -0.6378 -0.6039 -0.6039 -0.5030 -0.5030 -0.2834 -0.2834 -0.1525 -0.1525 -0.0071 -0.0071 0.0128 0.0128 0.1285 0.1285 0.2800 0.2800 0.4909 0.4909 0.5525 0.5525 7.3132 7.3132 7.5134 7.5134 7.5909 7.5909 9.8650 9.8650 11.3370 11.3370 k = 0.2568 0.1482-0.0000 ( 11912 PWs) bands (ev): -40.2474 -40.2474 -40.2307 -40.2307 -19.5253 -19.5253 -19.2021 -19.2021 -19.1991 -19.1991 -18.8946 -18.8946 -18.8574 -18.8574 -18.8026 -18.8026 -2.4620 -2.4620 -2.2643 -2.2643 -2.1491 -2.1491 -1.7848 -1.7848 -1.4729 -1.4729 -1.4350 -1.4350 -0.9695 -0.9695 -0.6606 -0.6606 -0.5785 -0.5785 -0.5193 -0.5193 -0.2612 -0.2612 -0.1468 -0.1468 -0.0319 -0.0319 0.0108 0.0108 0.1263 0.1263 0.2771 0.2771 0.4866 0.4866 0.5473 0.5473 7.3082 7.3082 7.5059 7.5059 7.5838 7.5838 9.9225 9.9225 11.3463 11.3463 k = 0.2703 0.1560-0.0000 ( 11920 PWs) bands (ev): -40.2471 -40.2471 -40.2310 -40.2310 -19.5155 -19.5155 -19.2018 -19.2018 -19.1984 -19.1984 -18.9040 -18.9040 -18.8605 -18.8605 -18.8016 -18.8016 -2.4564 -2.4564 -2.2472 -2.2472 -2.1325 -2.1325 -1.7970 -1.7970 -1.4654 -1.4654 -1.4359 -1.4359 -0.9794 -0.9794 -0.6883 -0.6883 -0.5608 -0.5608 -0.5257 -0.5257 -0.2391 -0.2391 -0.1458 -0.1458 -0.0753 -0.0753 0.0236 0.0236 0.1305 0.1305 0.2743 0.2743 0.4821 0.4821 0.5419 0.5419 7.3027 7.3027 7.4984 7.4984 7.5768 7.5768 9.9802 9.9802 11.3580 11.3580 k = 0.2838 0.1638-0.0000 ( 11924 PWs) bands (ev): -40.2468 -40.2468 -40.2313 -40.2313 -19.5057 -19.5057 -19.2013 -19.2013 -19.1975 -19.1975 -18.9143 -18.9143 -18.8638 -18.8638 -18.8000 -18.8000 -2.4508 -2.4508 -2.2313 -2.2313 -2.1166 -2.1166 -1.8071 -1.8071 -1.4559 -1.4559 -1.4337 -1.4337 -0.9890 -0.9890 -0.7180 -0.7180 -0.5670 -0.5670 -0.5086 -0.5086 -0.2200 -0.2200 -0.1521 -0.1521 -0.1135 -0.1135 0.0331 0.0331 0.1411 0.1411 0.2714 0.2714 0.4772 0.4772 0.5361 0.5361 7.2970 7.2970 7.4910 7.4910 7.5700 7.5700 10.0377 10.0377 11.3724 11.3724 k = 0.2973 0.1716-0.0000 ( 11920 PWs) bands (ev): -40.2465 -40.2465 -40.2316 -40.2316 -19.4957 -19.4957 -19.2007 -19.2007 -19.1964 -19.1964 -18.9253 -18.9253 -18.8674 -18.8674 -18.7979 -18.7979 -2.4453 -2.4453 -2.2169 -2.2169 -2.1017 -2.1017 -1.8147 -1.8147 -1.4445 -1.4445 -1.4283 -1.4283 -0.9982 -0.9982 -0.7490 -0.7490 -0.5815 -0.5815 -0.4845 -0.4845 -0.2148 -0.2148 -0.1668 -0.1668 -0.1343 -0.1343 0.0414 0.0414 0.1565 0.1565 0.2681 0.2681 0.4720 0.4720 0.5303 0.5303 7.2911 7.2911 7.4838 7.4838 7.5634 7.5634 10.0943 10.0943 11.3901 11.3901 k = 0.3108 0.1794-0.0000 ( 11934 PWs) bands (ev): -40.2461 -40.2461 -40.2319 -40.2319 -19.4858 -19.4858 -19.2000 -19.2000 -19.1949 -19.1949 -18.9368 -18.9368 -18.8712 -18.8712 -18.7954 -18.7954 -2.4399 -2.4399 -2.2043 -2.2043 -2.0884 -2.0884 -1.8192 -1.8192 -1.4313 -1.4313 -1.4194 -1.4194 -1.0071 -1.0071 -0.7808 -0.7808 -0.5970 -0.5970 -0.4624 -0.4624 -0.2391 -0.2391 -0.1776 -0.1776 -0.1334 -0.1334 0.0503 0.0503 0.1745 0.1745 0.2645 0.2645 0.4662 0.4662 0.5243 0.5243 7.2849 7.2849 7.4766 7.4766 7.5571 7.5571 10.1495 10.1495 11.4113 11.4113 k = 0.3243 0.1872-0.0000 ( 11922 PWs) bands (ev): -40.2458 -40.2458 -40.2322 -40.2322 -19.4759 -19.4759 -19.1992 -19.1992 -19.1930 -19.1930 -18.9487 -18.9487 -18.8752 -18.8752 -18.7928 -18.7928 -2.4346 -2.4346 -2.1934 -2.1934 -2.0770 -2.0770 -1.8202 -1.8202 -1.4163 -1.4163 -1.4072 -1.4072 -1.0154 -1.0154 -0.8132 -0.8132 -0.6123 -0.6123 -0.4463 -0.4463 -0.2729 -0.2729 -0.1935 -0.1935 -0.1177 -0.1177 0.0609 0.0609 0.1935 0.1935 0.2606 0.2606 0.4598 0.4598 0.5183 0.5183 7.2787 7.2787 7.4698 7.4698 7.5512 7.5512 10.2026 10.2026 11.4367 11.4367 k = 0.3378 0.1951-0.0000 ( 11920 PWs) bands (ev): -40.2455 -40.2455 -40.2325 -40.2325 -19.4662 -19.4662 -19.1984 -19.1984 -19.1907 -19.1907 -18.9610 -18.9610 -18.8791 -18.8791 -18.7900 -18.7900 -2.4296 -2.4296 -2.1843 -2.1843 -2.0680 -2.0680 -1.8176 -1.8176 -1.3995 -1.3995 -1.3918 -1.3918 -1.0233 -1.0233 -0.8457 -0.8457 -0.6272 -0.6272 -0.4425 -0.4425 -0.2990 -0.2990 -0.2150 -0.2150 -0.0970 -0.0970 0.0731 0.0731 0.2123 0.2123 0.2565 0.2565 0.4527 0.4527 0.5124 0.5124 7.2725 7.2725 7.4632 7.4632 7.5455 7.5455 10.2530 10.2530 11.4664 11.4664 k = 0.3514 0.2029-0.0000 ( 11924 PWs) bands (ev): -40.2452 -40.2452 -40.2329 -40.2329 -19.4568 -19.4568 -19.1975 -19.1975 -19.1880 -19.1880 -18.9735 -18.9735 -18.8831 -18.8831 -18.7873 -18.7873 -2.4248 -2.4248 -2.1768 -2.1768 -2.0614 -2.0614 -1.8112 -1.8112 -1.3810 -1.3810 -1.3735 -1.3735 -1.0307 -1.0307 -0.8781 -0.8781 -0.6417 -0.6417 -0.4579 -0.4579 -0.3084 -0.3084 -0.2393 -0.2393 -0.0753 -0.0753 0.0866 0.0866 0.2293 0.2293 0.2532 0.2532 0.4450 0.4450 0.5066 0.5066 7.2663 7.2663 7.4569 7.4569 7.5403 7.5403 10.3003 10.3003 11.5002 11.5002 k = 0.3649 0.2107-0.0000 ( 11924 PWs) bands (ev): -40.2448 -40.2448 -40.2332 -40.2332 -19.4477 -19.4477 -19.1966 -19.1966 -19.1847 -19.1847 -18.9862 -18.9862 -18.8870 -18.8870 -18.7846 -18.7846 -2.4204 -2.4204 -2.1710 -2.1710 -2.0571 -2.0571 -1.8015 -1.8015 -1.3608 -1.3608 -1.3528 -1.3528 -1.0375 -1.0375 -0.9101 -0.9101 -0.6558 -0.6558 -0.4897 -0.4897 -0.3042 -0.3042 -0.2642 -0.2642 -0.0537 -0.0537 0.1011 0.1011 0.2380 0.2380 0.2569 0.2569 0.4368 0.4368 0.5009 0.5009 7.2603 7.2603 7.4510 7.4510 7.5355 7.5355 10.3438 10.3438 11.5312 11.5312 k = 0.3784 0.2185-0.0000 ( 11936 PWs) bands (ev): -40.2445 -40.2445 -40.2335 -40.2335 -19.4391 -19.4391 -19.1956 -19.1956 -19.1808 -19.1808 -18.9991 -18.9991 -18.8907 -18.8907 -18.7820 -18.7820 -2.4164 -2.4164 -2.1666 -2.1666 -2.0547 -2.0547 -1.7889 -1.7889 -1.3391 -1.3391 -1.3300 -1.3300 -1.0437 -1.0437 -0.9412 -0.9412 -0.6696 -0.6696 -0.5296 -0.5296 -0.3041 -0.3041 -0.2790 -0.2790 -0.0326 -0.0326 0.1163 0.1163 0.2350 0.2350 0.2704 0.2704 0.4282 0.4282 0.4953 0.4953 7.2545 7.2545 7.4455 7.4455 7.5311 7.5311 10.3832 10.3832 11.5561 11.5561 k = 0.3919 0.2263-0.0000 ( 11940 PWs) bands (ev): -40.2442 -40.2442 -40.2338 -40.2338 -19.4311 -19.4311 -19.1947 -19.1947 -19.1763 -19.1763 -19.0120 -19.0120 -18.8941 -18.8941 -18.7796 -18.7796 -2.4127 -2.4127 -2.1634 -2.1634 -2.0538 -2.0538 -1.7742 -1.7742 -1.3160 -1.3160 -1.3059 -1.3059 -1.0493 -1.0493 -0.9710 -0.9710 -0.6832 -0.6832 -0.5725 -0.5725 -0.3261 -0.3261 -0.2695 -0.2695 -0.0122 -0.0122 0.1319 0.1319 0.2290 0.2290 0.2848 0.2848 0.4195 0.4195 0.4898 0.4898 7.2491 7.2491 7.4404 7.4404 7.5271 7.5271 10.4183 10.4183 11.5797 11.5797 k = 0.4054 0.2341-0.0000 ( 11922 PWs) bands (ev): -40.2439 -40.2439 -40.2341 -40.2341 -19.4237 -19.4237 -19.1939 -19.1939 -19.1710 -19.1710 -19.0249 -19.0249 -18.8973 -18.8973 -18.7774 -18.7774 -2.4095 -2.4095 -2.1611 -2.1611 -2.0540 -2.0540 -1.7583 -1.7583 -1.2919 -1.2919 -1.2812 -1.2812 -1.0545 -1.0545 -0.9987 -0.9987 -0.6967 -0.6967 -0.6158 -0.6158 -0.3519 -0.3519 -0.2553 -0.2553 0.0071 0.0071 0.1476 0.1476 0.2221 0.2221 0.2976 0.2976 0.4114 0.4114 0.4842 0.4842 7.2441 7.2441 7.4359 7.4359 7.5236 7.5236 10.4489 10.4489 11.6021 11.6021 k = 0.4189 0.2419-0.0000 ( 11944 PWs) bands (ev): -40.2437 -40.2437 -40.2344 -40.2344 -19.4171 -19.4171 -19.1930 -19.1930 -19.1651 -19.1651 -19.0377 -19.0377 -18.9002 -18.9002 -18.7755 -18.7755 -2.4067 -2.4067 -2.1596 -2.1596 -2.0548 -2.0548 -1.7419 -1.7419 -1.2672 -1.2672 -1.2566 -1.2566 -1.0604 -1.0604 -1.0225 -1.0225 -0.7102 -0.7102 -0.6579 -0.6579 -0.3769 -0.3769 -0.2415 -0.2415 0.0254 0.0254 0.1632 0.1632 0.2146 0.2146 0.3077 0.3077 0.4044 0.4044 0.4786 0.4786 7.2396 7.2396 7.4318 7.4318 7.5205 7.5205 10.4751 10.4751 11.6230 11.6230 k = 0.4324 0.2497-0.0000 ( 11932 PWs) bands (ev): -40.2434 -40.2434 -40.2346 -40.2346 -19.4114 -19.4114 -19.1923 -19.1923 -19.1584 -19.1584 -19.0503 -19.0503 -18.9027 -18.9027 -18.7738 -18.7738 -2.4043 -2.4043 -2.1587 -2.1587 -2.0559 -2.0559 -1.7259 -1.7259 -1.2427 -1.2427 -1.2329 -1.2329 -1.0699 -1.0699 -1.0389 -1.0389 -0.7241 -0.7241 -0.6974 -0.6974 -0.3998 -0.3998 -0.2291 -0.2291 0.0423 0.0423 0.1782 0.1782 0.2070 0.2070 0.3141 0.3141 0.3998 0.3998 0.4730 0.4730 7.2356 7.2356 7.4284 7.4284 7.5179 7.5179 10.4968 10.4968 11.6418 11.6418 k = 0.4459 0.2575-0.0000 ( 11952 PWs) bands (ev): -40.2432 -40.2432 -40.2348 -40.2348 -19.4066 -19.4066 -19.1917 -19.1917 -19.1511 -19.1511 -19.0626 -19.0626 -18.9049 -18.9049 -18.7724 -18.7724 -2.4024 -2.4024 -2.1583 -2.1583 -2.0571 -2.0571 -1.7111 -1.7111 -1.2203 -1.2203 -1.2104 -1.2104 -1.0846 -1.0846 -1.0455 -1.0455 -0.7422 -0.7422 -0.7289 -0.7289 -0.4197 -0.4197 -0.2185 -0.2185 0.0578 0.0578 0.1905 0.1905 0.2013 0.2013 0.3161 0.3161 0.3982 0.3982 0.4674 0.4674 7.2323 7.2323 7.4255 7.4255 7.5158 7.5158 10.5142 10.5142 11.6581 11.6581 k = 0.4595 0.2653-0.0000 ( 11960 PWs) bands (ev): -40.2430 -40.2430 -40.2350 -40.2350 -19.4028 -19.4028 -19.1911 -19.1911 -19.1432 -19.1432 -19.0745 -19.0745 -18.9065 -18.9065 -18.7713 -18.7713 -2.4009 -2.4009 -2.1580 -2.1580 -2.0582 -2.0582 -1.6984 -1.6984 -1.2026 -1.2026 -1.1887 -1.1887 -1.1001 -1.1001 -1.0464 -1.0464 -0.7705 -0.7705 -0.7445 -0.7445 -0.4359 -0.4359 -0.2101 -0.2101 0.0714 0.0714 0.1887 0.1887 0.2089 0.2089 0.3140 0.3140 0.3996 0.3996 0.4621 0.4621 7.2296 7.2296 7.4232 7.4232 7.5141 7.5141 10.5276 10.5276 11.6713 11.6713 k = 0.4730 0.2731-0.0000 ( 11970 PWs) bands (ev): -40.2429 -40.2429 -40.2351 -40.2351 -19.4001 -19.4001 -19.1908 -19.1908 -19.1350 -19.1350 -19.0856 -19.0856 -18.9078 -18.9078 -18.7705 -18.7705 -2.3998 -2.3998 -2.1580 -2.1580 -2.0590 -2.0590 -1.6886 -1.6886 -1.1906 -1.1906 -1.1687 -1.1687 -1.1134 -1.1134 -1.0450 -1.0450 -0.7956 -0.7956 -0.7546 -0.7546 -0.4478 -0.4478 -0.2040 -0.2040 0.0824 0.0824 0.1823 0.1823 0.2199 0.2199 0.3094 0.3094 0.4026 0.4026 0.4573 0.4573 7.2277 7.2277 7.4216 7.4216 7.5129 7.5129 10.5369 10.5369 11.6811 11.6811 k = 0.4865 0.2809-0.0000 ( 11978 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3984 -19.3984 -19.1905 -19.1905 -19.1274 -19.1274 -19.0949 -19.0949 -18.9085 -18.9085 -18.7700 -18.7700 -2.3992 -2.3992 -2.1579 -2.1579 -2.0595 -2.0595 -1.6824 -1.6824 -1.1840 -1.1840 -1.1523 -1.1523 -1.1242 -1.1242 -1.0431 -1.0431 -0.8123 -0.8123 -0.7611 -0.7611 -0.4551 -0.4551 -0.2003 -0.2003 0.0899 0.0899 0.1774 0.1774 0.2281 0.2281 0.3049 0.3049 0.4055 0.4055 0.4539 0.4539 7.2265 7.2265 7.4206 7.4206 7.5122 7.5122 10.5425 10.5425 11.6871 11.6871 k = 0.5000 0.2887-0.0000 ( 11982 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3979 -19.3979 -19.1905 -19.1905 -19.1235 -19.1235 -19.0993 -19.0993 -18.9087 -18.9087 -18.7698 -18.7698 -2.3990 -2.3990 -2.1579 -2.1579 -2.0597 -2.0597 -1.6803 -1.6803 -1.1820 -1.1820 -1.1436 -1.1436 -1.1307 -1.1307 -1.0423 -1.0423 -0.8182 -0.8182 -0.7634 -0.7634 -0.4576 -0.4576 -0.1990 -0.1990 0.0926 0.0926 0.1756 0.1756 0.2312 0.2312 0.3029 0.3029 0.4067 0.4067 0.4526 0.4526 7.2262 7.2262 7.4203 7.4203 7.5120 7.5120 10.5444 10.5444 11.6891 11.6891 k = 0.5000 0.2887-0.0000 ( 11982 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3979 -19.3979 -19.1905 -19.1905 -19.1235 -19.1235 -19.0993 -19.0993 -18.9087 -18.9087 -18.7698 -18.7698 -2.3990 -2.3990 -2.1579 -2.1579 -2.0597 -2.0597 -1.6803 -1.6803 -1.1820 -1.1820 -1.1436 -1.1436 -1.1307 -1.1307 -1.0423 -1.0423 -0.8182 -0.8182 -0.7634 -0.7634 -0.4576 -0.4576 -0.1990 -0.1990 0.0926 0.0926 0.1756 0.1756 0.2312 0.2312 0.3029 0.3029 0.4067 0.4067 0.4526 0.4526 7.2262 7.2262 7.4203 7.4203 7.5120 7.5120 10.5444 10.5444 11.6891 11.6891 k = 0.4924 0.3018-0.0000 ( 11982 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3976 -19.3976 -19.1906 -19.1906 -19.1239 -19.1239 -19.0990 -19.0990 -18.9089 -18.9089 -18.7698 -18.7698 -2.3982 -2.3982 -2.1581 -2.1581 -2.0591 -2.0591 -1.6810 -1.6810 -1.1824 -1.1824 -1.1438 -1.1438 -1.1293 -1.1293 -1.0482 -1.0482 -0.8129 -0.8129 -0.7639 -0.7639 -0.4568 -0.4568 -0.1987 -0.1987 0.0912 0.0912 0.1755 0.1755 0.2305 0.2305 0.3041 0.3041 0.4067 0.4067 0.4523 0.4523 7.2262 7.2262 7.4201 7.4201 7.5117 7.5117 10.5464 10.5464 11.6868 11.6868 k = 0.4848 0.3149-0.0000 ( 11976 PWs) bands (ev): -40.2428 -40.2428 -40.2353 -40.2353 -19.3968 -19.3968 -19.1909 -19.1909 -19.1249 -19.1249 -19.0981 -19.0981 -18.9093 -18.9093 -18.7698 -18.7698 -2.3959 -2.3959 -2.1585 -2.1585 -2.0573 -2.0573 -1.6831 -1.6831 -1.1845 -1.1845 -1.1437 -1.1437 -1.1255 -1.1255 -1.0643 -1.0643 -0.7985 -0.7985 -0.7651 -0.7651 -0.4547 -0.4547 -0.1980 -0.1980 0.0871 0.0871 0.1754 0.1754 0.2285 0.2285 0.3073 0.3073 0.4068 0.4068 0.4516 0.4516 7.2265 7.2265 7.4196 7.4196 7.5108 7.5108 10.5524 10.5524 11.6801 11.6801 k = 0.4773 0.3280-0.0000 ( 11968 PWs) bands (ev): -40.2427 -40.2427 -40.2353 -40.2353 -19.3953 -19.3953 -19.1915 -19.1915 -19.1266 -19.1266 -19.0967 -19.0967 -18.9100 -18.9100 -18.7697 -18.7697 -2.3920 -2.3920 -2.1593 -2.1593 -2.0542 -2.0542 -1.6865 -1.6865 -1.1894 -1.1894 -1.1419 -1.1419 -1.1195 -1.1195 -1.0871 -1.0871 -0.7797 -0.7797 -0.7656 -0.7656 -0.4512 -0.4512 -0.1967 -0.1967 0.0807 0.0807 0.1750 0.1750 0.2253 0.2253 0.3125 0.3125 0.4070 0.4070 0.4503 0.4503 7.2270 7.2270 7.4188 7.4188 7.5093 7.5093 10.5625 10.5625 11.6695 11.6695 k = 0.4697 0.3412-0.0000 ( 11958 PWs) bands (ev): -40.2427 -40.2427 -40.2354 -40.2354 -19.3934 -19.3934 -19.1923 -19.1923 -19.1290 -19.1290 -19.0947 -19.0947 -18.9111 -18.9111 -18.7695 -18.7695 -2.3868 -2.3868 -2.1603 -2.1603 -2.0499 -2.0499 -1.6909 -1.6909 -1.1978 -1.1978 -1.1391 -1.1391 -1.1191 -1.1191 -1.1052 -1.1052 -0.7742 -0.7742 -0.7504 -0.7504 -0.4465 -0.4465 -0.1948 -0.1948 0.0722 0.0722 0.1738 0.1738 0.2215 0.2215 0.3191 0.3191 0.4072 0.4072 0.4486 0.4486 7.2277 7.2277 7.4177 7.4177 7.5073 7.5073 10.5766 10.5766 11.6559 11.6559 k = 0.4621 0.3543-0.0000 ( 11954 PWs) bands (ev): -40.2426 -40.2426 -40.2354 -40.2354 -19.3909 -19.3909 -19.1932 -19.1932 -19.1319 -19.1319 -19.0922 -19.0922 -18.9125 -18.9125 -18.7693 -18.7693 -2.3801 -2.3801 -2.1616 -2.1616 -2.0443 -2.0443 -1.6962 -1.6962 -1.2094 -1.2094 -1.1507 -1.1507 -1.1310 -1.1310 -1.0948 -1.0948 -0.7782 -0.7782 -0.7251 -0.7251 -0.4410 -0.4410 -0.1925 -0.1925 0.0622 0.0622 0.1713 0.1713 0.2176 0.2176 0.3267 0.3267 0.4075 0.4075 0.4464 0.4464 7.2285 7.2285 7.4162 7.4162 7.5048 7.5048 10.5946 10.5946 11.6399 11.6399 k = 0.4545 0.3674-0.0000 ( 11958 PWs) bands (ev): -40.2425 -40.2425 -40.2355 -40.2355 -19.3878 -19.3878 -19.1943 -19.1943 -19.1354 -19.1354 -19.0892 -19.0892 -18.9143 -18.9143 -18.7691 -18.7691 -2.3723 -2.3723 -2.1632 -2.1632 -2.0372 -2.0372 -1.7020 -1.7020 -1.2237 -1.2237 -1.1820 -1.1820 -1.1269 -1.1269 -1.0786 -1.0786 -0.7839 -0.7839 -0.6987 -0.6987 -0.4350 -0.4350 -0.1898 -0.1898 0.0512 0.0512 0.1666 0.1666 0.2146 0.2146 0.3351 0.3351 0.4078 0.4078 0.4439 0.4439 7.2295 7.2295 7.4145 7.4145 7.5018 7.5018 10.6166 10.6166 11.6225 11.6225 k = 0.4470 0.3805-0.0000 ( 11956 PWs) bands (ev): -40.2424 -40.2424 -40.2356 -40.2356 -19.3843 -19.3843 -19.1955 -19.1955 -19.1395 -19.1395 -19.0858 -19.0858 -18.9165 -18.9165 -18.7687 -18.7687 -2.3633 -2.3633 -2.1651 -2.1651 -2.0286 -2.0286 -1.7080 -1.7080 -1.2403 -1.2403 -1.2153 -1.2153 -1.1213 -1.1213 -1.0591 -1.0591 -0.7909 -0.7909 -0.6723 -0.6723 -0.4286 -0.4286 -0.1865 -0.1865 0.0395 0.0395 0.1593 0.1593 0.2131 0.2131 0.3437 0.3437 0.4082 0.4082 0.4412 0.4412 7.2306 7.2306 7.4125 7.4125 7.4983 7.4983 10.6424 10.6424 11.6040 11.6040 k = 0.4394 0.3936-0.0000 ( 11944 PWs) bands (ev): -40.2423 -40.2423 -40.2358 -40.2358 -19.3802 -19.3802 -19.1967 -19.1967 -19.1440 -19.1440 -19.0820 -19.0820 -18.9191 -18.9191 -18.7683 -18.7683 -2.3535 -2.3535 -2.1672 -2.1672 -2.0183 -2.0183 -1.7142 -1.7142 -1.2592 -1.2592 -1.2487 -1.2487 -1.1152 -1.1152 -1.0370 -1.0370 -0.7990 -0.7990 -0.6466 -0.6466 -0.4225 -0.4225 -0.1829 -0.1829 0.0274 0.0274 0.1494 0.1494 0.2129 0.2129 0.3525 0.3525 0.4087 0.4087 0.4382 0.4382 7.2318 7.2318 7.4103 7.4103 7.4946 7.4946 10.6721 10.6721 11.5849 11.5849 k = 0.4318 0.4068-0.0000 ( 11934 PWs) bands (ev): -40.2421 -40.2421 -40.2359 -40.2359 -19.3757 -19.3757 -19.1980 -19.1980 -19.1489 -19.1489 -19.0779 -19.0779 -18.9223 -18.9223 -18.7677 -18.7677 -2.3430 -2.3430 -2.1695 -2.1695 -2.0063 -2.0063 -1.7202 -1.7202 -1.2860 -1.2860 -1.2759 -1.2759 -1.1086 -1.1086 -1.0128 -1.0128 -0.8080 -0.8080 -0.6220 -0.6220 -0.4170 -0.4170 -0.1789 -0.1789 0.0154 0.0154 0.1375 0.1375 0.2140 0.2140 0.3610 0.3610 0.4094 0.4094 0.4351 0.4351 7.2332 7.2332 7.4078 7.4078 7.4906 7.4906 10.7055 10.7055 11.5656 11.5656 k = 0.4242 0.4199-0.0000 ( 11924 PWs) bands (ev): -40.2420 -40.2420 -40.2361 -40.2361 -19.3707 -19.3707 -19.1993 -19.1993 -19.1542 -19.1542 -19.0734 -19.0734 -18.9259 -18.9259 -18.7671 -18.7671 -2.3320 -2.3320 -2.1721 -2.1721 -1.9924 -1.9924 -1.7258 -1.7258 -1.3197 -1.3197 -1.2972 -1.2972 -1.1015 -1.1015 -0.9869 -0.9869 -0.8176 -0.8176 -0.5990 -0.5990 -0.4125 -0.4125 -0.1746 -0.1746 0.0036 0.0036 0.1240 0.1240 0.2158 0.2158 0.3691 0.3691 0.4102 0.4102 0.4320 0.4320 7.2346 7.2346 7.4052 7.4052 7.4863 7.4863 10.7426 10.7426 11.5464 11.5464 k = 0.4167 0.4330-0.0000 ( 11916 PWs) bands (ev): -40.2418 -40.2418 -40.2362 -40.2362 -19.3654 -19.3654 -19.2006 -19.2006 -19.1598 -19.1598 -19.0687 -19.0687 -18.9299 -18.9299 -18.7664 -18.7664 -2.3207 -2.3207 -2.1749 -2.1749 -1.9765 -1.9765 -1.7310 -1.7310 -1.3539 -1.3539 -1.3187 -1.3187 -1.0939 -1.0939 -0.9600 -0.9600 -0.8275 -0.8275 -0.5777 -0.5777 -0.4095 -0.4095 -0.1700 -0.1700 -0.0074 -0.0074 0.1096 0.1096 0.2181 0.2181 0.3765 0.3765 0.4112 0.4112 0.4290 0.4290 7.2361 7.2361 7.4025 7.4025 7.4820 7.4820 10.7833 10.7833 11.5274 11.5274 k = 0.4091 0.4461-0.0000 ( 11916 PWs) bands (ev): -40.2416 -40.2416 -40.2364 -40.2364 -19.3596 -19.3596 -19.2019 -19.2019 -19.1657 -19.1657 -19.0636 -19.0636 -18.9345 -18.9345 -18.7656 -18.7656 -2.3094 -2.3094 -2.1779 -2.1779 -1.9584 -1.9584 -1.7356 -1.7356 -1.3879 -1.3879 -1.3405 -1.3405 -1.0858 -1.0858 -0.9330 -0.9330 -0.8368 -0.8368 -0.5585 -0.5585 -0.4084 -0.4084 -0.1653 -0.1653 -0.0176 -0.0176 0.0947 0.0947 0.2207 0.2207 0.3830 0.3830 0.4125 0.4125 0.4263 0.4263 7.2375 7.2375 7.3996 7.3996 7.4777 7.4777 10.8275 10.8275 11.5089 11.5089 k = 0.4015 0.4593-0.0000 ( 11920 PWs) bands (ev): -40.2414 -40.2414 -40.2366 -40.2366 -19.3536 -19.3536 -19.2032 -19.2032 -19.1717 -19.1717 -19.0584 -19.0584 -18.9394 -18.9394 -18.7648 -18.7648 -2.2982 -2.2982 -2.1811 -2.1811 -1.9381 -1.9381 -1.7395 -1.7395 -1.4213 -1.4213 -1.3627 -1.3627 -1.0774 -1.0774 -0.9090 -0.9090 -0.8426 -0.8426 -0.5417 -0.5417 -0.4097 -0.4097 -0.1604 -0.1604 -0.0265 -0.0265 0.0798 0.0798 0.2233 0.2233 0.3881 0.3881 0.4141 0.4141 0.4240 0.4240 7.2390 7.2390 7.3967 7.3967 7.4735 7.4735 10.8750 10.8750 11.4908 11.4908 k = 0.3939 0.4724-0.0000 ( 11921 PWs) bands (ev): -40.2412 -40.2412 -40.2368 -40.2368 -19.3474 -19.3474 -19.2043 -19.2043 -19.1778 -19.1778 -19.0529 -19.0529 -18.9448 -18.9448 -18.7640 -18.7640 -2.2874 -2.2874 -2.1845 -2.1845 -1.9155 -1.9155 -1.7427 -1.7427 -1.4541 -1.4541 -1.3848 -1.3848 -1.0685 -1.0685 -0.8955 -0.8955 -0.8373 -0.8373 -0.5275 -0.5275 -0.4138 -0.4138 -0.1555 -0.1555 -0.0339 -0.0339 0.0652 0.0652 0.2260 0.2260 0.3919 0.3919 0.4155 0.4155 0.4229 0.4229 7.2404 7.2404 7.3938 7.3938 7.4694 7.4694 10.9256 10.9256 11.4733 11.4733 k = 0.3864 0.4855-0.0000 ( 11921 PWs) bands (ev): -40.2409 -40.2409 -40.2371 -40.2371 -19.3411 -19.3411 -19.2055 -19.2055 -19.1839 -19.1839 -19.0473 -19.0473 -18.9506 -18.9506 -18.7632 -18.7632 -2.2770 -2.2770 -2.1881 -2.1881 -1.8907 -1.8907 -1.7451 -1.7451 -1.4861 -1.4861 -1.4069 -1.4069 -1.0594 -1.0594 -0.8973 -0.8973 -0.8164 -0.8164 -0.5159 -0.5159 -0.4208 -0.4208 -0.1508 -0.1508 -0.0395 -0.0395 0.0514 0.0514 0.2285 0.2285 0.3943 0.3943 0.4155 0.4155 0.4240 0.4240 7.2417 7.2417 7.3910 7.3910 7.4656 7.4656 10.9792 10.9792 11.4565 11.4565 k = 0.3788 0.4986-0.0000 ( 11923 PWs) bands (ev): -40.2407 -40.2407 -40.2373 -40.2373 -19.3347 -19.3347 -19.2066 -19.2066 -19.1898 -19.1898 -19.0415 -19.0415 -18.9566 -18.9566 -18.7624 -18.7624 -2.2672 -2.2672 -2.1920 -2.1920 -1.8637 -1.8637 -1.7468 -1.7468 -1.5172 -1.5172 -1.4285 -1.4285 -1.0500 -1.0500 -0.9064 -0.9064 -0.7877 -0.7877 -0.5073 -0.5073 -0.4310 -0.4310 -0.1463 -0.1463 -0.0432 -0.0432 0.0385 0.0385 0.2309 0.2309 0.3956 0.3956 0.4147 0.4147 0.4266 0.4266 7.2428 7.2428 7.3884 7.3884 7.4622 7.4622 11.0356 11.0356 11.4403 11.4403 k = 0.3712 0.5117-0.0000 ( 11919 PWs) bands (ev): -40.2404 -40.2404 -40.2376 -40.2376 -19.3285 -19.3285 -19.2076 -19.2076 -19.1954 -19.1954 -19.0357 -19.0357 -18.9629 -18.9629 -18.7616 -18.7616 -2.2580 -2.2580 -2.1961 -2.1961 -1.8349 -1.8349 -1.7477 -1.7477 -1.5472 -1.5472 -1.4495 -1.4495 -1.0405 -1.0405 -0.9177 -0.9177 -0.7565 -0.7565 -0.5015 -0.5015 -0.4442 -0.4442 -0.1423 -0.1423 -0.0447 -0.0447 0.0267 0.0267 0.2331 0.2331 0.3961 0.3961 0.4137 0.4137 0.4296 0.4296 7.2438 7.2438 7.3859 7.3859 7.4591 7.4591 11.0942 11.0942 11.4250 11.4250 k = 0.3636 0.5249-0.0000 ( 11919 PWs) bands (ev): -40.2402 -40.2402 -40.2378 -40.2378 -19.3228 -19.3228 -19.2086 -19.2086 -19.2005 -19.2005 -19.0298 -19.0298 -18.9692 -18.9692 -18.7610 -18.7610 -2.2495 -2.2495 -2.2004 -2.2004 -1.8050 -1.8050 -1.7475 -1.7475 -1.5761 -1.5761 -1.4695 -1.4695 -1.0311 -1.0311 -0.9295 -0.9295 -0.7248 -0.7248 -0.4985 -0.4985 -0.4599 -0.4599 -0.1387 -0.1387 -0.0442 -0.0442 0.0160 0.0160 0.2350 0.2350 0.3962 0.3962 0.4130 0.4130 0.4323 0.4323 7.2446 7.2446 7.3838 7.3838 7.4566 7.4566 11.1547 11.1547 11.4104 11.4104 k = 0.3561 0.5380-0.0000 ( 11913 PWs) bands (ev): -40.2399 -40.2399 -40.2381 -40.2381 -19.3177 -19.3177 -19.2096 -19.2096 -19.2047 -19.2047 -19.0241 -19.0241 -18.9755 -18.9755 -18.7604 -18.7604 -2.2416 -2.2416 -2.2050 -2.2050 -1.7762 -1.7762 -1.7445 -1.7445 -1.6036 -1.6036 -1.4881 -1.4881 -1.0220 -1.0220 -0.9408 -0.9408 -0.6938 -0.6938 -0.4982 -0.4982 -0.4773 -0.4773 -0.1358 -0.1358 -0.0418 -0.0418 0.0063 0.0063 0.2366 0.2366 0.3961 0.3961 0.4124 0.4124 0.4346 0.4346 7.2453 7.2453 7.3820 7.3820 7.4545 7.4545 11.2160 11.2160 11.3966 11.3966 k = 0.3485 0.5511-0.0000 ( 11897 PWs) bands (ev): -40.2396 -40.2396 -40.2384 -40.2384 -19.3136 -19.3136 -19.2109 -19.2109 -19.2075 -19.2075 -19.0188 -19.0188 -18.9812 -18.9812 -18.7600 -18.7600 -2.2344 -2.2344 -2.2099 -2.2099 -1.7590 -1.7590 -1.7296 -1.7296 -1.6296 -1.6296 -1.5043 -1.5043 -1.0139 -1.0139 -0.9507 -0.9507 -0.6654 -0.6654 -0.5005 -0.5005 -0.4942 -0.4942 -0.1337 -0.1337 -0.0377 -0.0377 -0.0023 -0.0023 0.2378 0.2378 0.3959 0.3959 0.4121 0.4121 0.4362 0.4362 7.2457 7.2457 7.3807 7.3807 7.4531 7.4531 11.2760 11.2760 11.3836 11.3836 k = 0.3409 0.5642-0.0000 ( 11895 PWs) bands (ev): -40.2393 -40.2393 -40.2387 -40.2387 -19.3109 -19.3109 -19.2121 -19.2121 -19.2089 -19.2089 -19.0146 -19.0146 -18.9858 -18.9858 -18.7597 -18.7597 -2.2278 -2.2278 -2.2151 -2.2151 -1.7551 -1.7551 -1.7029 -1.7029 -1.6538 -1.6538 -1.5165 -1.5165 -1.0079 -1.0079 -0.9579 -0.9579 -0.6434 -0.6434 -0.5083 -0.5083 -0.5034 -0.5034 -0.1323 -0.1323 -0.0328 -0.0328 -0.0096 -0.0096 0.2385 0.2385 0.3958 0.3958 0.4120 0.4120 0.4371 0.4371 7.2459 7.2459 7.3798 7.3798 7.4522 7.4522 11.3292 11.3292 11.3714 11.3714 k = 0.3333 0.5774-0.0000 ( 11907 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.3100 -19.3100 -19.2126 -19.2126 -19.2093 -19.2093 -19.0129 -19.0129 -18.9876 -18.9876 -18.7596 -18.7596 -2.2233 -2.2233 -2.2191 -2.2191 -1.7544 -1.7544 -1.6818 -1.6818 -1.6724 -1.6724 -1.5215 -1.5215 -1.0056 -1.0056 -0.9606 -0.9606 -0.6346 -0.6346 -0.5104 -0.5104 -0.5084 -0.5084 -0.1318 -0.1318 -0.0298 -0.0298 -0.0133 -0.0133 0.2388 0.2388 0.3957 0.3957 0.4119 0.4119 0.4374 0.4374 7.2460 7.2460 7.3796 7.3796 7.4519 7.4519 11.3597 11.3597 11.3602 11.3602 k = 0.3333 0.5774-0.0000 ( 11907 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.3100 -19.3100 -19.2126 -19.2126 -19.2093 -19.2093 -19.0129 -19.0129 -18.9876 -18.9876 -18.7596 -18.7596 -2.2233 -2.2233 -2.2191 -2.2191 -1.7544 -1.7544 -1.6818 -1.6818 -1.6724 -1.6724 -1.5215 -1.5215 -1.0056 -1.0056 -0.9606 -0.9606 -0.6346 -0.6346 -0.5104 -0.5104 -0.5084 -0.5084 -0.1318 -0.1318 -0.0298 -0.0298 -0.0133 -0.0133 0.2388 0.2388 0.3957 0.3957 0.4119 0.4119 0.4374 0.4374 7.2460 7.2460 7.3796 7.3796 7.4519 7.4519 11.3597 11.3597 11.3602 11.3602 k = 0.3256 0.5639-0.0000 ( 11899 PWs) bands (ev): -40.2393 -40.2393 -40.2387 -40.2387 -19.3110 -19.3110 -19.2124 -19.2124 -19.2086 -19.2086 -19.0146 -19.0146 -18.9857 -18.9857 -18.7597 -18.7597 -2.2279 -2.2279 -2.2150 -2.2150 -1.7550 -1.7550 -1.6990 -1.6990 -1.6597 -1.6597 -1.5146 -1.5146 -1.0077 -1.0077 -0.9581 -0.9581 -0.6433 -0.6433 -0.5166 -0.5166 -0.4949 -0.4949 -0.1323 -0.1323 -0.0334 -0.0334 -0.0091 -0.0091 0.2385 0.2385 0.3957 0.3957 0.4120 0.4120 0.4372 0.4372 7.2459 7.2459 7.3799 7.3799 7.4522 7.4522 11.3466 11.3466 11.3506 11.3506 k = 0.3178 0.5505-0.0000 ( 11899 PWs) bands (ev): -40.2397 -40.2397 -40.2383 -40.2383 -19.3139 -19.3139 -19.2122 -19.2122 -19.2061 -19.2061 -19.0186 -19.0186 -18.9810 -18.9810 -18.7601 -18.7601 -2.2346 -2.2346 -2.2098 -2.2098 -1.7566 -1.7566 -1.7180 -1.7180 -1.6555 -1.6555 -1.4929 -1.4929 -1.0124 -1.0124 -0.9519 -0.9519 -0.6640 -0.6640 -0.5246 -0.5246 -0.4694 -0.4694 -0.1340 -0.1340 -0.0406 -0.0406 -0.0005 -0.0005 0.2375 0.2375 0.3954 0.3954 0.4122 0.4122 0.4365 0.4365 7.2458 7.2458 7.3808 7.3808 7.4531 7.4531 11.3052 11.3052 11.3397 11.3397 k = 0.3101 0.5371-0.0000 ( 11899 PWs) bands (ev): -40.2400 -40.2400 -40.2380 -40.2380 -19.3185 -19.3185 -19.2123 -19.2123 -19.2020 -19.2020 -19.0234 -19.0234 -18.9750 -18.9750 -18.7606 -18.7606 -2.2420 -2.2420 -2.2049 -2.2049 -1.7598 -1.7598 -1.7345 -1.7345 -1.6603 -1.6603 -1.4600 -1.4600 -1.0175 -1.0175 -0.9442 -0.9442 -0.6903 -0.6903 -0.5330 -0.5330 -0.4388 -0.4388 -0.1369 -0.1369 -0.0490 -0.0490 0.0099 0.0099 0.2357 0.2357 0.3944 0.3944 0.4128 0.4128 0.4358 0.4358 7.2457 7.2457 7.3823 7.3823 7.4547 7.4547 11.2515 11.2515 11.3306 11.3306 k = 0.3023 0.5236-0.0000 ( 11913 PWs) bands (ev): -40.2403 -40.2403 -40.2377 -40.2377 -19.3245 -19.3245 -19.2124 -19.2124 -19.1970 -19.1970 -19.0280 -19.0280 -18.9684 -18.9684 -18.7614 -18.7614 -2.2500 -2.2500 -2.2004 -2.2004 -1.7653 -1.7653 -1.7477 -1.7477 -1.6699 -1.6699 -1.4208 -1.4208 -1.0219 -1.0219 -0.9361 -0.9361 -0.7185 -0.7185 -0.5415 -0.5415 -0.4061 -0.4061 -0.1412 -0.1412 -0.0581 -0.0581 0.0211 0.0211 0.2331 0.2331 0.3921 0.3921 0.4140 0.4140 0.4354 0.4354 7.2457 7.2457 7.3844 7.3844 7.4568 7.4568 11.1935 11.1935 11.3224 11.3224 k = 0.2946 0.5102-0.0000 ( 11909 PWs) bands (ev): -40.2407 -40.2407 -40.2373 -40.2373 -19.3316 -19.3316 -19.2125 -19.2125 -19.1916 -19.1916 -19.0319 -19.0319 -18.9615 -18.9615 -18.7624 -18.7624 -2.2586 -2.2586 -2.1963 -2.1963 -1.7735 -1.7735 -1.7575 -1.7575 -1.6813 -1.6813 -1.3788 -1.3788 -1.0251 -1.0251 -0.9283 -0.9283 -0.7464 -0.7464 -0.5498 -0.5498 -0.3727 -0.3727 -0.1469 -0.1469 -0.0676 -0.0676 0.0329 0.0329 0.2295 0.2295 0.3881 0.3881 0.4158 0.4158 0.4357 0.4357 7.2459 7.2459 7.3871 7.3871 7.4596 7.4596 11.1334 11.1334 11.3150 11.3150 k = 0.2868 0.4968-0.0000 ( 11907 PWs) bands (ev): -40.2411 -40.2411 -40.2369 -40.2369 -19.3396 -19.3396 -19.2125 -19.2125 -19.1864 -19.1864 -19.0348 -19.0348 -18.9544 -18.9544 -18.7637 -18.7637 -2.2678 -2.2678 -2.1926 -2.1926 -1.7828 -1.7828 -1.7656 -1.7656 -1.6933 -1.6933 -1.3362 -1.3362 -1.0268 -1.0268 -0.9211 -0.9211 -0.7722 -0.7722 -0.5573 -0.5573 -0.3394 -0.3394 -0.1540 -0.1540 -0.0776 -0.0776 0.0451 0.0451 0.2250 0.2250 0.3820 0.3820 0.4182 0.4182 0.4368 0.4368 7.2463 7.2463 7.3903 7.3903 7.4628 7.4628 11.0722 11.0722 11.3085 11.3085 k = 0.2791 0.4834-0.0000 ( 11921 PWs) bands (ev): -40.2414 -40.2414 -40.2366 -40.2366 -19.3482 -19.3482 -19.2124 -19.2124 -19.1817 -19.1817 -19.0364 -19.0364 -18.9472 -18.9472 -18.7653 -18.7653 -2.2775 -2.2775 -2.1894 -2.1894 -1.7916 -1.7916 -1.7737 -1.7737 -1.7049 -1.7049 -1.2950 -1.2950 -1.0269 -1.0269 -0.9149 -0.9149 -0.7940 -0.7940 -0.5638 -0.5638 -0.3066 -0.3066 -0.1626 -0.1626 -0.0878 -0.0878 0.0576 0.0576 0.2195 0.2195 0.3741 0.3741 0.4209 0.4209 0.4390 0.4390 7.2471 7.2471 7.3941 7.3941 7.4666 7.4666 11.0102 11.0102 11.3027 11.3027 k = 0.2713 0.4699-0.0000 ( 11921 PWs) bands (ev): -40.2418 -40.2418 -40.2362 -40.2362 -19.3573 -19.3573 -19.2123 -19.2123 -19.1778 -19.1778 -19.0364 -19.0364 -18.9399 -18.9399 -18.7671 -18.7671 -2.2877 -2.2877 -2.1868 -2.1868 -1.7999 -1.7999 -1.7821 -1.7821 -1.7158 -1.7158 -1.2575 -1.2575 -1.0251 -1.0251 -0.9099 -0.9099 -0.8098 -0.8098 -0.5690 -0.5690 -0.2750 -0.2750 -0.1727 -0.1727 -0.0980 -0.0980 0.0701 0.0701 0.2130 0.2130 0.3643 0.3643 0.4236 0.4236 0.4424 0.4424 7.2481 7.2481 7.3983 7.3983 7.4709 7.4709 10.9477 10.9477 11.2977 11.2977 k = 0.2636 0.4565-0.0000 ( 11917 PWs) bands (ev): -40.2422 -40.2422 -40.2359 -40.2359 -19.3669 -19.3669 -19.2121 -19.2121 -19.1751 -19.1751 -19.0347 -19.0347 -18.9326 -18.9326 -18.7691 -18.7691 -2.2984 -2.2984 -2.1847 -2.1847 -1.8088 -1.8088 -1.7895 -1.7895 -1.7258 -1.7258 -1.2268 -1.2268 -1.0203 -1.0203 -0.9060 -0.9060 -0.8176 -0.8176 -0.5727 -0.5727 -0.2453 -0.2453 -0.1839 -0.1839 -0.1078 -0.1078 0.0827 0.0827 0.2057 0.2057 0.3529 0.3529 0.4262 0.4262 0.4468 0.4468 7.2496 7.2496 7.4030 7.4030 7.4757 7.4757 10.8847 10.8847 11.2934 11.2934 k = 0.2558 0.4431-0.0000 ( 11917 PWs) bands (ev): -40.2425 -40.2425 -40.2355 -40.2355 -19.3768 -19.3768 -19.2118 -19.2118 -19.1735 -19.1735 -19.0312 -19.0312 -18.9253 -18.9253 -18.7715 -18.7715 -2.3094 -2.3094 -2.1833 -2.1833 -1.8202 -1.8202 -1.7944 -1.7944 -1.7346 -1.7346 -1.2062 -1.2062 -1.0115 -1.0115 -0.9031 -0.9031 -0.8155 -0.8155 -0.5746 -0.5746 -0.2205 -0.2205 -0.1946 -0.1946 -0.1161 -0.1161 0.0951 0.0951 0.1976 0.1976 0.3399 0.3399 0.4288 0.4288 0.4521 0.4521 7.2516 7.2516 7.4081 7.4081 7.4808 7.4808 10.8214 10.8214 11.2898 11.2898 k = 0.2481 0.4297-0.0000 ( 11907 PWs) bands (ev): -40.2429 -40.2429 -40.2351 -40.2351 -19.3870 -19.3870 -19.2115 -19.2115 -19.1730 -19.1730 -19.0261 -19.0261 -18.9180 -18.9180 -18.7740 -18.7740 -2.3207 -2.3207 -2.1827 -2.1827 -1.8345 -1.8345 -1.7961 -1.7961 -1.7424 -1.7424 -1.1975 -1.1975 -0.9978 -0.9978 -0.9010 -0.9010 -0.8029 -0.8029 -0.5747 -0.5747 -0.2174 -0.2174 -0.1907 -0.1907 -0.1202 -0.1202 0.1074 0.1074 0.1890 0.1890 0.3255 0.3255 0.4313 0.4313 0.4581 0.4581 7.2539 7.2539 7.4136 7.4136 7.4864 7.4864 10.7578 10.7578 11.2869 11.2869 k = 0.2403 0.4162-0.0000 ( 11905 PWs) bands (ev): -40.2433 -40.2433 -40.2347 -40.2347 -19.3975 -19.3975 -19.2112 -19.2112 -19.1735 -19.1735 -19.0195 -19.0195 -18.9107 -18.9107 -18.7768 -18.7768 -2.3322 -2.3322 -2.1829 -2.1829 -1.8511 -1.8511 -1.7951 -1.7951 -1.7490 -1.7490 -1.1997 -1.1997 -0.9802 -0.9802 -0.8996 -0.8996 -0.7798 -0.7798 -0.5730 -0.5730 -0.2315 -0.2315 -0.1817 -0.1817 -0.1152 -0.1152 0.1192 0.1192 0.1800 0.1800 0.3097 0.3097 0.4338 0.4338 0.4646 0.4646 7.2567 7.2567 7.4194 7.4194 7.4924 7.4924 10.6938 10.6938 11.2846 11.2846 k = 0.2326 0.4028-0.0000 ( 11909 PWs) bands (ev): -40.2436 -40.2436 -40.2344 -40.2344 -19.4081 -19.4081 -19.2108 -19.2108 -19.1748 -19.1748 -19.0117 -19.0117 -18.9035 -18.9035 -18.7798 -18.7798 -2.3437 -2.3437 -2.1842 -2.1842 -1.8696 -1.8696 -1.7921 -1.7921 -1.7545 -1.7545 -1.2095 -1.2095 -0.9610 -0.9610 -0.8985 -0.8985 -0.7476 -0.7476 -0.5696 -0.5696 -0.2485 -0.2485 -0.1829 -0.1829 -0.1002 -0.1002 0.1303 0.1303 0.1712 0.1712 0.2927 0.2927 0.4363 0.4363 0.4715 0.4715 7.2600 7.2600 7.4256 7.4256 7.4986 7.4986 10.6296 10.6296 11.2829 11.2829 k = 0.2248 0.3894-0.0000 ( 11921 PWs) bands (ev): -40.2440 -40.2440 -40.2340 -40.2340 -19.4189 -19.4189 -19.2103 -19.2103 -19.1767 -19.1767 -19.0029 -19.0029 -18.8964 -18.8964 -18.7830 -18.7830 -2.3551 -2.3551 -2.1864 -2.1864 -1.8895 -1.8895 -1.7871 -1.7871 -1.7587 -1.7587 -1.2238 -1.2238 -0.9426 -0.9426 -0.8964 -0.8964 -0.7086 -0.7086 -0.5647 -0.5647 -0.2670 -0.2670 -0.1901 -0.1901 -0.0810 -0.0810 0.1398 0.1398 0.1637 0.1637 0.2745 0.2745 0.4389 0.4389 0.4786 0.4786 7.2636 7.2636 7.4320 7.4320 7.5052 7.5052 10.5651 10.5651 11.2817 11.2817 k = 0.2171 0.3759-0.0000 ( 11921 PWs) bands (ev): -40.2444 -40.2444 -40.2337 -40.2337 -19.4298 -19.4298 -19.2098 -19.2098 -19.1789 -19.1789 -18.9933 -18.9933 -18.8893 -18.8893 -18.7864 -18.7864 -2.3665 -2.3665 -2.1899 -2.1899 -1.9108 -1.9108 -1.7805 -1.7805 -1.7616 -1.7616 -1.2403 -1.2403 -0.9289 -0.9289 -0.8893 -0.8893 -0.6652 -0.6652 -0.5586 -0.5586 -0.2865 -0.2865 -0.1992 -0.1992 -0.0619 -0.0619 0.1443 0.1443 0.1612 0.1612 0.2556 0.2556 0.4417 0.4417 0.4859 0.4859 7.2676 7.2676 7.4388 7.4388 7.5121 7.5121 10.5003 10.5003 11.2811 11.2811 k = 0.2093 0.3625-0.0000 ( 11921 PWs) bands (ev): -40.2447 -40.2447 -40.2333 -40.2333 -19.4407 -19.4407 -19.2093 -19.2093 -19.1813 -19.1813 -18.9833 -18.9833 -18.8824 -18.8824 -18.7899 -18.7899 -2.3777 -2.3777 -2.1946 -2.1946 -1.9332 -1.9332 -1.7727 -1.7727 -1.7628 -1.7628 -1.2573 -1.2573 -0.9235 -0.9235 -0.8738 -0.8738 -0.6196 -0.6196 -0.5517 -0.5517 -0.3067 -0.3067 -0.2085 -0.2085 -0.0452 -0.0452 0.1420 0.1420 0.1657 0.1657 0.2366 0.2366 0.4445 0.4445 0.4932 0.4932 7.2719 7.2719 7.4457 7.4457 7.5192 7.5192 10.4355 10.4355 11.2809 11.2809 k = 0.2016 0.3491-0.0000 ( 11929 PWs) bands (ev): -40.2451 -40.2451 -40.2329 -40.2329 -19.4517 -19.4517 -19.2087 -19.2087 -19.1838 -19.1838 -18.9729 -18.9729 -18.8756 -18.8756 -18.7935 -18.7935 -2.3886 -2.3886 -2.2006 -2.2006 -1.9565 -1.9565 -1.7663 -1.7663 -1.7598 -1.7598 -1.2738 -1.2738 -0.9235 -0.9235 -0.8523 -0.8523 -0.5741 -0.5741 -0.5441 -0.5441 -0.3273 -0.3273 -0.2167 -0.2167 -0.0324 -0.0324 0.1393 0.1393 0.1701 0.1701 0.2192 0.2192 0.4476 0.4476 0.5005 0.5005 7.2765 7.2765 7.4529 7.4529 7.5266 7.5266 10.3705 10.3705 11.2812 11.2812 k = 0.1938 0.3357-0.0000 ( 11937 PWs) bands (ev): -40.2454 -40.2454 -40.2326 -40.2326 -19.4626 -19.4626 -19.2081 -19.2081 -19.1863 -19.1863 -18.9623 -18.9623 -18.8690 -18.8690 -18.7972 -18.7972 -2.3991 -2.3991 -2.2079 -2.2079 -1.9806 -1.9806 -1.7641 -1.7641 -1.7499 -1.7499 -1.2891 -1.2891 -0.9255 -0.9255 -0.8280 -0.8280 -0.5405 -0.5405 -0.5270 -0.5270 -0.3477 -0.3477 -0.2224 -0.2224 -0.0245 -0.0245 0.1390 0.1390 0.1671 0.1671 0.2087 0.2087 0.4508 0.4508 0.5077 0.5077 7.2813 7.2813 7.4602 7.4602 7.5341 7.5341 10.3056 10.3056 11.2818 11.2818 k = 0.1860 0.3222-0.0000 ( 11921 PWs) bands (ev): -40.2458 -40.2458 -40.2322 -40.2322 -19.4735 -19.4735 -19.2075 -19.2075 -19.1887 -19.1887 -18.9516 -18.9516 -18.8625 -18.8625 -18.8010 -18.8010 -2.4093 -2.4093 -2.2167 -2.2167 -2.0051 -2.0051 -1.7616 -1.7616 -1.7376 -1.7376 -1.3029 -1.3029 -0.9282 -0.9282 -0.8021 -0.8021 -0.5338 -0.5338 -0.4889 -0.4889 -0.3668 -0.3668 -0.2239 -0.2239 -0.0219 -0.0219 0.1389 0.1389 0.1561 0.1561 0.2085 0.2085 0.4542 0.4542 0.5148 0.5148 7.2863 7.2863 7.4677 7.4677 7.5418 7.5418 10.2408 10.2408 11.2828 11.2828 k = 0.1783 0.3088-0.0000 ( 11915 PWs) bands (ev): -40.2461 -40.2461 -40.2319 -40.2319 -19.4843 -19.4843 -19.2069 -19.2069 -19.1909 -19.1909 -18.9411 -18.9411 -18.8563 -18.8563 -18.8046 -18.8046 -2.4191 -2.4191 -2.2267 -2.2267 -2.0300 -2.0300 -1.7579 -1.7579 -1.7240 -1.7240 -1.3149 -1.3149 -0.9310 -0.9310 -0.7751 -0.7751 -0.5315 -0.5315 -0.4570 -0.4570 -0.3832 -0.3832 -0.2187 -0.2187 -0.0238 -0.0238 0.1244 0.1244 0.1567 0.1567 0.2131 0.2131 0.4579 0.4579 0.5217 0.5217 7.2913 7.2913 7.4753 7.4753 7.5496 7.5496 10.1763 10.1763 11.2841 11.2841 k = 0.1705 0.2954-0.0000 ( 11911 PWs) bands (ev): -40.2464 -40.2464 -40.2316 -40.2316 -19.4949 -19.4949 -19.2063 -19.2063 -19.1929 -19.1929 -18.9307 -18.9307 -18.8504 -18.8504 -18.8081 -18.8081 -2.4285 -2.4285 -2.2381 -2.2381 -2.0548 -2.0548 -1.7531 -1.7531 -1.7092 -1.7092 -1.3250 -1.3250 -0.9333 -0.9333 -0.7474 -0.7474 -0.5344 -0.5344 -0.4353 -0.4353 -0.3950 -0.3950 -0.2051 -0.2051 -0.0286 -0.0286 0.1010 0.1010 0.1662 0.1662 0.2188 0.2188 0.4618 0.4618 0.5284 0.5284 7.2963 7.2963 7.4829 7.4829 7.5575 7.5575 10.1123 10.1123 11.2856 11.2856 k = 0.1628 0.2820-0.0000 ( 11899 PWs) bands (ev): -40.2468 -40.2468 -40.2313 -40.2313 -19.5054 -19.5054 -19.2057 -19.2057 -19.1947 -19.1947 -18.9207 -18.9207 -18.8449 -18.8449 -18.8113 -18.8113 -2.4374 -2.4374 -2.2508 -2.2508 -2.0795 -2.0795 -1.7471 -1.7471 -1.6932 -1.6932 -1.3331 -1.3331 -0.9352 -0.9352 -0.7193 -0.7193 -0.5437 -0.5437 -0.4255 -0.4255 -0.3997 -0.3997 -0.1840 -0.1840 -0.0340 -0.0340 0.0752 0.0752 0.1783 0.1783 0.2245 0.2245 0.4660 0.4660 0.5348 0.5348 7.3013 7.3013 7.4906 7.4906 7.5654 7.5654 10.0490 10.0490 11.2874 11.2874 k = 0.1550 0.2685-0.0000 ( 11919 PWs) bands (ev): -40.2471 -40.2471 -40.2309 -40.2309 -19.5156 -19.5156 -19.2050 -19.2050 -19.1962 -19.1962 -18.9112 -18.9112 -18.8401 -18.8401 -18.8137 -18.8137 -2.4458 -2.4458 -2.2646 -2.2646 -2.1037 -2.1037 -1.7401 -1.7401 -1.6763 -1.6763 -1.3392 -1.3392 -0.9363 -0.9363 -0.6911 -0.6911 -0.5595 -0.5595 -0.4260 -0.4260 -0.3973 -0.3973 -0.1600 -0.1600 -0.0364 -0.0364 0.0482 0.0482 0.1914 0.1914 0.2300 0.2300 0.4705 0.4705 0.5408 0.5408 7.3062 7.3062 7.4984 7.4984 7.5734 7.5734 9.9866 9.9866 11.2893 11.2893 k = 0.1473 0.2551-0.0000 ( 11923 PWs) bands (ev): -40.2474 -40.2474 -40.2306 -40.2306 -19.5256 -19.5256 -19.2044 -19.2044 -19.1976 -19.1976 -18.9023 -18.9023 -18.8363 -18.8363 -18.8149 -18.8149 -2.4537 -2.4537 -2.2796 -2.2796 -2.1272 -2.1272 -1.7321 -1.7321 -1.6584 -1.6584 -1.3435 -1.3435 -0.9365 -0.9365 -0.6633 -0.6633 -0.5801 -0.5801 -0.4319 -0.4319 -0.3909 -0.3909 -0.1414 -0.1414 -0.0306 -0.0306 0.0206 0.0206 0.2046 0.2046 0.2353 0.2353 0.4752 0.4752 0.5464 0.5464 7.3109 7.3109 7.5061 7.5061 7.5813 7.5813 9.9252 9.9252 11.2914 11.2914 k = 0.1395 0.2417-0.0000 ( 11911 PWs) bands (ev): -40.2477 -40.2477 -40.2303 -40.2303 -19.5353 -19.5353 -19.2038 -19.2038 -19.1986 -19.1986 -18.8943 -18.8943 -18.8339 -18.8339 -18.8143 -18.8143 -2.4611 -2.4611 -2.2955 -2.2955 -2.1498 -2.1498 -1.7233 -1.7233 -1.6397 -1.6397 -1.3459 -1.3459 -0.9358 -0.9358 -0.6376 -0.6376 -0.6029 -0.6029 -0.4406 -0.4406 -0.3821 -0.3821 -0.1345 -0.1345 -0.0177 -0.0177 -0.0017 -0.0017 0.2168 0.2168 0.2413 0.2413 0.4801 0.4801 0.5517 0.5517 7.3154 7.3154 7.5138 7.5138 7.5892 7.5892 9.8652 9.8652 11.2935 11.2935 k = 0.1318 0.2283-0.0000 ( 11895 PWs) bands (ev): -40.2480 -40.2480 -40.2301 -40.2301 -19.5446 -19.5446 -19.2031 -19.2031 -19.1995 -19.1995 -18.8876 -18.8876 -18.8327 -18.8327 -18.8119 -18.8119 -2.4680 -2.4680 -2.3123 -2.3123 -2.1712 -2.1712 -1.7137 -1.7137 -1.6201 -1.6201 -1.3465 -1.3465 -0.9341 -0.9341 -0.6357 -0.6357 -0.6059 -0.6059 -0.4503 -0.4503 -0.3719 -0.3719 -0.1379 -0.1379 -0.0395 -0.0395 0.0200 0.0200 0.2260 0.2260 0.2501 0.2501 0.4853 0.4853 0.5566 0.5566 7.3196 7.3196 7.5213 7.5213 7.5970 7.5970 9.8068 9.8068 11.2957 11.2957 k = 0.1240 0.2148-0.0000 ( 11901 PWs) bands (ev): -40.2482 -40.2482 -40.2298 -40.2298 -19.5537 -19.5537 -19.2025 -19.2025 -19.2001 -19.2001 -18.8825 -18.8825 -18.8316 -18.8316 -18.8083 -18.8083 -2.4744 -2.4744 -2.3297 -2.3297 -2.1915 -2.1915 -1.7036 -1.7036 -1.5997 -1.5997 -1.3456 -1.3456 -0.9314 -0.9314 -0.6617 -0.6617 -0.5860 -0.5860 -0.4586 -0.4586 -0.3607 -0.3607 -0.1466 -0.1466 -0.0683 -0.0683 0.0521 0.0521 0.2313 0.2313 0.2628 0.2628 0.4906 0.4906 0.5610 0.5610 7.3235 7.3235 7.5288 7.5288 7.6046 7.6046 9.7502 9.7502 11.2980 11.2980 k = 0.1163 0.2014-0.0000 ( 11901 PWs) bands (ev): -40.2485 -40.2485 -40.2295 -40.2295 -19.5623 -19.5623 -19.2020 -19.2020 -19.2005 -19.2005 -18.8793 -18.8793 -18.8297 -18.8297 -18.8042 -18.8042 -2.4804 -2.4804 -2.3476 -2.3476 -2.2104 -2.2104 -1.6931 -1.6931 -1.5787 -1.5787 -1.3432 -1.3432 -0.9278 -0.9278 -0.6901 -0.6901 -0.5713 -0.5713 -0.4617 -0.4617 -0.3492 -0.3492 -0.1578 -0.1578 -0.0975 -0.0975 0.0840 0.0840 0.2337 0.2337 0.2789 0.2789 0.4960 0.4960 0.5649 0.5649 7.3271 7.3271 7.5360 7.5360 7.6121 7.6121 9.6956 9.6956 11.3002 11.3002 k = 0.1085 0.1880-0.0000 ( 11895 PWs) bands (ev): -40.2487 -40.2487 -40.2293 -40.2293 -19.5705 -19.5705 -19.2015 -19.2015 -19.2007 -19.2007 -18.8780 -18.8780 -18.8268 -18.8268 -18.7999 -18.7999 -2.4858 -2.4858 -2.3656 -2.3656 -2.2280 -2.2280 -1.6823 -1.6823 -1.5570 -1.5570 -1.3394 -1.3394 -0.9235 -0.9235 -0.7191 -0.7191 -0.5671 -0.5671 -0.4558 -0.4558 -0.3377 -0.3377 -0.1700 -0.1700 -0.1262 -0.1262 0.1131 0.1131 0.2346 0.2346 0.2976 0.2976 0.5015 0.5015 0.5685 0.5685 7.3303 7.3303 7.5431 7.5431 7.6193 7.6193 9.6434 9.6434 11.3022 11.3022 k = 0.1008 0.1745-0.0000 ( 11891 PWs) bands (ev): -40.2490 -40.2490 -40.2291 -40.2291 -19.5782 -19.5782 -19.2011 -19.2011 -19.2005 -19.2005 -18.8782 -18.8782 -18.8229 -18.8229 -18.7955 -18.7955 -2.4908 -2.4908 -2.3835 -2.3835 -2.2442 -2.2442 -1.6715 -1.6715 -1.5346 -1.5346 -1.3343 -1.3343 -0.9188 -0.9188 -0.7476 -0.7476 -0.5733 -0.5733 -0.4408 -0.4408 -0.3270 -0.3270 -0.1830 -0.1830 -0.1536 -0.1536 0.1380 0.1380 0.2345 0.2345 0.3187 0.3187 0.5070 0.5070 0.5716 0.5716 7.3332 7.3332 7.5499 7.5499 7.6262 7.6262 9.5936 9.5936 11.3039 11.3039 k = 0.0930 0.1611-0.0000 ( 11897 PWs) bands (ev): -40.2492 -40.2492 -40.2289 -40.2289 -19.5855 -19.5855 -19.2009 -19.2009 -19.2002 -19.2002 -18.8796 -18.8796 -18.8184 -18.8184 -18.7913 -18.7913 -2.4954 -2.4954 -2.4011 -2.4011 -2.2591 -2.2591 -1.6606 -1.6606 -1.5117 -1.5117 -1.3281 -1.3281 -0.9145 -0.9145 -0.7748 -0.7748 -0.5862 -0.5862 -0.4207 -0.4207 -0.3178 -0.3178 -0.1979 -0.1979 -0.1772 -0.1772 0.1582 0.1582 0.2337 0.2337 0.3420 0.3420 0.5125 0.5125 0.5743 0.5743 7.3357 7.3357 7.5564 7.5564 7.6328 7.6328 9.5467 9.5467 11.3048 11.3048 k = 0.0853 0.1477-0.0000 ( 11901 PWs) bands (ev): -40.2494 -40.2494 -40.2287 -40.2287 -19.5923 -19.5923 -19.2006 -19.2006 -19.1997 -19.1997 -18.8817 -18.8817 -18.8137 -18.8137 -18.7872 -18.7872 -2.4996 -2.4996 -2.4181 -2.4181 -2.2728 -2.2728 -1.6501 -1.6501 -1.4883 -1.4883 -1.3209 -1.3209 -0.9125 -0.9125 -0.7987 -0.7987 -0.6026 -0.6026 -0.3986 -0.3986 -0.3116 -0.3116 -0.2158 -0.2158 -0.1939 -0.1939 0.1737 0.1737 0.2324 0.2324 0.3666 0.3666 0.5179 0.5179 0.5766 0.5766 7.3378 7.3378 7.5625 7.5625 7.6391 7.6391 9.5027 9.5027 11.3043 11.3043 k = 0.0775 0.1343-0.0000 ( 11915 PWs) bands (ev): -40.2496 -40.2496 -40.2285 -40.2285 -19.5986 -19.5986 -19.2003 -19.2003 -19.1993 -19.1993 -18.8842 -18.8842 -18.8090 -18.8090 -18.7832 -18.7832 -2.5033 -2.5033 -2.4343 -2.4343 -2.2852 -2.2852 -1.6399 -1.6399 -1.4644 -1.4644 -1.3129 -1.3129 -0.9158 -0.9158 -0.8162 -0.8162 -0.6208 -0.6208 -0.3766 -0.3766 -0.3114 -0.3114 -0.2318 -0.2318 -0.2053 -0.2053 0.1851 0.1851 0.2309 0.2309 0.3917 0.3917 0.5234 0.5234 0.5785 0.5785 7.3397 7.3397 7.5683 7.5683 7.6450 7.6450 9.4618 9.4618 11.3034 11.3034 k = 0.0698 0.1208-0.0000 ( 11919 PWs) bands (ev): -40.2497 -40.2497 -40.2283 -40.2283 -19.6043 -19.6043 -19.1999 -19.1999 -19.1989 -19.1989 -18.8868 -18.8868 -18.8047 -18.8047 -18.7795 -18.7795 -2.5067 -2.5067 -2.4494 -2.4494 -2.2964 -2.2964 -1.6302 -1.6302 -1.4400 -1.4400 -1.3041 -1.3041 -0.9276 -0.9276 -0.8239 -0.8239 -0.6396 -0.6396 -0.3568 -0.3568 -0.3196 -0.3196 -0.2400 -0.2400 -0.2136 -0.2136 0.1929 0.1929 0.2293 0.2293 0.4160 0.4160 0.5288 0.5288 0.5802 0.5802 7.3412 7.3412 7.5736 7.5736 7.6504 7.6504 9.4243 9.4243 11.3031 11.3031 k = 0.0620 0.1074-0.0000 ( 11919 PWs) bands (ev): -40.2499 -40.2499 -40.2282 -40.2282 -19.6095 -19.6095 -19.1995 -19.1995 -19.1985 -19.1985 -18.8894 -18.8894 -18.8007 -18.8007 -18.7760 -18.7760 -2.5097 -2.5097 -2.4633 -2.4633 -2.3064 -2.3064 -1.6212 -1.6212 -1.4152 -1.4152 -1.2949 -1.2949 -0.9476 -0.9476 -0.8223 -0.8223 -0.6585 -0.6585 -0.3498 -0.3498 -0.3252 -0.3252 -0.2410 -0.2410 -0.2190 -0.2190 0.1979 0.1979 0.2278 0.2278 0.4389 0.4389 0.5343 0.5343 0.5816 0.5816 7.3424 7.3424 7.5785 7.5785 7.6554 7.6554 9.3903 9.3903 11.3038 11.3038 k = 0.0543 0.0940-0.0000 ( 11925 PWs) bands (ev): -40.2500 -40.2500 -40.2281 -40.2281 -19.6141 -19.6141 -19.1990 -19.1990 -19.1982 -19.1982 -18.8918 -18.8918 -18.7971 -18.7971 -18.7728 -18.7728 -2.5123 -2.5123 -2.4758 -2.4758 -2.3152 -2.3152 -1.6130 -1.6130 -1.3902 -1.3902 -1.2856 -1.2856 -0.9725 -0.9725 -0.8148 -0.8148 -0.6768 -0.6768 -0.3672 -0.3672 -0.3132 -0.3132 -0.2397 -0.2397 -0.2203 -0.2203 0.2005 0.2005 0.2267 0.2267 0.4592 0.4592 0.5400 0.5400 0.5828 0.5828 7.3434 7.3434 7.5829 7.5829 7.6599 7.6599 9.3599 9.3599 11.3050 11.3050 k = 0.0465 0.0806-0.0000 ( 11919 PWs) bands (ev): -40.2501 -40.2501 -40.2279 -40.2279 -19.6181 -19.6181 -19.1986 -19.1986 -19.1979 -19.1979 -18.8941 -18.8941 -18.7940 -18.7940 -18.7699 -18.7699 -2.5147 -2.5147 -2.4867 -2.4867 -2.3229 -2.3229 -1.6057 -1.6057 -1.3649 -1.3649 -1.2763 -1.2763 -0.9996 -0.9996 -0.8042 -0.8042 -0.6941 -0.6941 -0.3898 -0.3898 -0.3005 -0.3005 -0.2384 -0.2384 -0.2174 -0.2174 0.2013 0.2013 0.2258 0.2258 0.4766 0.4766 0.5460 0.5460 0.5838 0.5838 7.3442 7.3442 7.5867 7.5867 7.6638 7.6638 9.3333 9.3333 11.3067 11.3067 k = 0.0388 0.0671-0.0000 ( 11927 PWs) bands (ev): -40.2502 -40.2502 -40.2278 -40.2278 -19.6216 -19.6216 -19.1981 -19.1981 -19.1976 -19.1976 -18.8962 -18.8962 -18.7914 -18.7914 -18.7674 -18.7674 -2.5169 -2.5169 -2.4960 -2.4960 -2.3294 -2.3294 -1.5993 -1.5993 -1.3396 -1.3396 -1.2674 -1.2674 -1.0275 -1.0275 -0.7922 -0.7922 -0.7099 -0.7099 -0.4124 -0.4124 -0.2915 -0.2915 -0.2363 -0.2363 -0.2120 -0.2120 0.2010 0.2010 0.2251 0.2251 0.4904 0.4904 0.5524 0.5524 0.5847 0.5847 7.3448 7.3448 7.5900 7.5900 7.6672 7.6672 9.3107 9.3107 11.3085 11.3085 k = 0.0310 0.0537-0.0000 ( 11943 PWs) bands (ev): -40.2503 -40.2503 -40.2278 -40.2278 -19.6244 -19.6244 -19.1978 -19.1978 -19.1974 -19.1974 -18.8979 -18.8979 -18.7893 -18.7893 -18.7653 -18.7653 -2.5189 -2.5189 -2.5035 -2.5035 -2.3347 -2.3347 -1.5941 -1.5941 -1.3147 -1.3147 -1.2592 -1.2592 -1.0551 -1.0551 -0.7801 -0.7801 -0.7236 -0.7236 -0.4334 -0.4334 -0.2865 -0.2865 -0.2327 -0.2327 -0.2060 -0.2060 0.2001 0.2001 0.2245 0.2245 0.5007 0.5007 0.5590 0.5590 0.5855 0.5855 7.3452 7.3452 7.5927 7.5927 7.6700 7.6700 9.2920 9.2920 11.3103 11.3103 k = 0.0233 0.0403-0.0000 ( 11949 PWs) bands (ev): -40.2504 -40.2504 -40.2277 -40.2277 -19.6266 -19.6266 -19.1974 -19.1974 -19.1972 -19.1972 -18.8993 -18.8993 -18.7876 -18.7876 -18.7636 -18.7636 -2.5208 -2.5208 -2.5089 -2.5089 -2.3388 -2.3388 -1.5899 -1.5899 -1.2907 -1.2907 -1.2521 -1.2521 -1.0816 -1.0816 -0.7690 -0.7690 -0.7348 -0.7348 -0.4516 -0.4516 -0.2843 -0.2843 -0.2284 -0.2284 -0.2004 -0.2004 0.1990 0.1990 0.2240 0.2240 0.5079 0.5079 0.5650 0.5650 0.5861 0.5861 7.3455 7.3455 7.5949 7.5949 7.6722 7.6722 9.2774 9.2774 11.3117 11.3117 k = 0.0155 0.0269-0.0000 ( 11961 PWs) bands (ev): -40.2504 -40.2504 -40.2277 -40.2277 -19.6282 -19.6282 -19.1972 -19.1972 -19.1971 -19.1971 -18.9003 -18.9003 -18.7865 -18.7865 -18.7624 -18.7624 -2.5227 -2.5227 -2.5124 -2.5124 -2.3418 -2.3418 -1.5870 -1.5870 -1.2694 -1.2694 -1.2460 -1.2460 -1.1056 -1.1056 -0.7601 -0.7601 -0.7427 -0.7427 -0.4659 -0.4659 -0.2837 -0.2837 -0.2247 -0.2247 -0.1958 -0.1958 0.1980 0.1980 0.2236 0.2236 0.5125 0.5125 0.5698 0.5698 0.5867 0.5867 7.3457 7.3457 7.5964 7.5964 7.6738 7.6738 9.2669 9.2669 11.3128 11.3128 k = 0.0078 0.0134-0.0000 ( 11969 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6291 -19.6291 -19.1971 -19.1971 -19.1970 -19.1970 -18.9009 -18.9009 -18.7858 -18.7858 -18.7617 -18.7617 -2.5241 -2.5241 -2.5142 -2.5142 -2.3435 -2.3435 -1.5852 -1.5852 -1.2547 -1.2547 -1.2400 -1.2400 -1.1240 -1.1240 -0.7555 -0.7555 -0.7464 -0.7464 -0.4751 -0.4751 -0.2836 -0.2836 -0.2222 -0.2222 -0.1928 -0.1928 0.1973 0.1973 0.2233 0.2233 0.5150 0.5150 0.5729 0.5729 0.5872 0.5872 7.3458 7.3458 7.5973 7.5973 7.6747 7.6747 9.2606 9.2606 11.3134 11.3134 k = 0.0000 0.0000 0.0000 ( 11969 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6294 -19.6294 -19.1970 -19.1970 -19.1970 -19.1970 -18.9011 -18.9011 -18.7855 -18.7855 -18.7614 -18.7614 -2.5246 -2.5246 -2.5147 -2.5147 -2.3441 -2.3441 -1.5845 -1.5845 -1.2503 -1.2503 -1.2362 -1.2362 -1.1315 -1.1315 -0.7548 -0.7548 -0.7466 -0.7466 -0.4783 -0.4783 -0.2836 -0.2836 -0.2214 -0.2214 -0.1918 -0.1918 0.1971 0.1971 0.2232 0.2232 0.5158 0.5158 0.5739 0.5739 0.5873 0.5873 7.3458 7.3458 7.5976 7.5976 7.6751 7.6751 9.2585 9.2585 11.3136 11.3136 k = 0.0000 0.0000 0.0000 ( 11969 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6294 -19.6294 -19.1970 -19.1970 -19.1970 -19.1970 -18.9011 -18.9011 -18.7855 -18.7855 -18.7614 -18.7614 -2.5246 -2.5246 -2.5147 -2.5147 -2.3441 -2.3441 -1.5845 -1.5845 -1.2503 -1.2503 -1.2362 -1.2362 -1.1315 -1.1315 -0.7548 -0.7548 -0.7466 -0.7466 -0.4783 -0.4783 -0.2836 -0.2836 -0.2214 -0.2214 -0.1918 -0.1918 0.1971 0.1971 0.2232 0.2232 0.5158 0.5158 0.5739 0.5739 0.5873 0.5873 7.3458 7.3458 7.5976 7.5976 7.6751 7.6751 9.2585 9.2585 11.3136 11.3136 k = 0.0000 0.0000 0.0157 ( 11969 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6291 -19.6291 -19.1970 -19.1970 -19.1970 -19.1970 -18.9014 -18.9014 -18.7855 -18.7855 -18.7614 -18.7614 -2.5239 -2.5239 -2.5140 -2.5140 -2.3429 -2.3429 -1.5841 -1.5841 -1.2524 -1.2524 -1.2383 -1.2383 -1.1313 -1.1313 -0.7550 -0.7550 -0.7465 -0.7465 -0.4785 -0.4785 -0.2840 -0.2840 -0.2204 -0.2204 -0.1910 -0.1910 0.1978 0.1978 0.2239 0.2239 0.5154 0.5154 0.5738 0.5738 0.5858 0.5858 7.3462 7.3462 7.5975 7.5975 7.6749 7.6749 9.2608 9.2608 11.3147 11.3147 k = 0.0000 0.0000 0.0314 ( 11957 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6283 -19.6283 -19.1970 -19.1970 -19.1970 -19.1970 -18.9023 -18.9023 -18.7856 -18.7856 -18.7614 -18.7614 -2.5218 -2.5218 -2.5120 -2.5120 -2.3393 -2.3393 -1.5826 -1.5826 -1.2588 -1.2588 -1.2446 -1.2446 -1.1309 -1.1309 -0.7556 -0.7556 -0.7461 -0.7461 -0.4791 -0.4791 -0.2852 -0.2852 -0.2176 -0.2176 -0.1886 -0.1886 0.2001 0.2001 0.2261 0.2261 0.5140 0.5140 0.5734 0.5734 0.5812 0.5812 7.3472 7.3472 7.5971 7.5971 7.6746 7.6746 9.2677 9.2677 11.3181 11.3181 k = 0.0000 0.0000 0.0471 ( 11957 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6270 -19.6270 -19.1970 -19.1970 -19.1970 -19.1970 -18.9038 -18.9038 -18.7857 -18.7857 -18.7615 -18.7615 -2.5183 -2.5183 -2.5085 -2.5085 -2.3333 -2.3333 -1.5801 -1.5801 -1.2690 -1.2690 -1.2548 -1.2548 -1.1301 -1.1301 -0.7569 -0.7569 -0.7459 -0.7459 -0.4801 -0.4801 -0.2873 -0.2873 -0.2127 -0.2127 -0.1846 -0.1846 0.2037 0.2037 0.2297 0.2297 0.5114 0.5114 0.5727 0.5727 0.5739 0.5739 7.3489 7.3489 7.5965 7.5965 7.6740 7.6740 9.2792 9.2792 11.3236 11.3236 k = 0.0000 0.0000 0.0629 ( 11939 PWs) bands (ev): -40.2505 -40.2505 -40.2276 -40.2276 -19.6251 -19.6251 -19.1970 -19.1970 -19.1970 -19.1970 -18.9058 -18.9058 -18.7857 -18.7857 -18.7615 -18.7615 -2.5135 -2.5135 -2.5037 -2.5037 -2.3249 -2.3249 -1.5766 -1.5766 -1.2827 -1.2827 -1.2684 -1.2684 -1.1289 -1.1289 -0.7592 -0.7592 -0.7464 -0.7464 -0.4815 -0.4815 -0.2905 -0.2905 -0.2055 -0.2055 -0.1787 -0.1787 0.2087 0.2087 0.2346 0.2346 0.5070 0.5070 0.5645 0.5645 0.5718 0.5718 7.3513 7.3513 7.5956 7.5956 7.6732 7.6732 9.2953 9.2953 11.3313 11.3313 k = 0.0000 0.0000 0.0786 ( 11927 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.6227 -19.6227 -19.1970 -19.1970 -19.1970 -19.1970 -18.9085 -18.9085 -18.7859 -18.7859 -18.7616 -18.7616 -2.5072 -2.5072 -2.4976 -2.4976 -2.3141 -2.3141 -1.5722 -1.5722 -1.2994 -1.2994 -1.2850 -1.2850 -1.1275 -1.1275 -0.7632 -0.7632 -0.7480 -0.7480 -0.4834 -0.4834 -0.2947 -0.2947 -0.1959 -0.1959 -0.1707 -0.1707 0.2149 0.2149 0.2407 0.2407 0.4997 0.4997 0.5542 0.5542 0.5707 0.5707 7.3544 7.3544 7.5944 7.5944 7.6721 7.6721 9.3158 9.3158 11.3411 11.3411 k = 0.0000 0.0000 0.0943 ( 11927 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.6197 -19.6197 -19.1970 -19.1970 -19.1970 -19.1970 -18.9117 -18.9117 -18.7860 -18.7860 -18.7616 -18.7616 -2.4997 -2.4997 -2.4901 -2.4901 -2.3010 -2.3010 -1.5668 -1.5668 -1.3186 -1.3186 -1.3041 -1.3041 -1.1258 -1.1258 -0.7691 -0.7691 -0.7514 -0.7514 -0.4856 -0.4856 -0.3000 -0.3000 -0.1838 -0.1838 -0.1606 -0.1606 0.2222 0.2222 0.2479 0.2479 0.4880 0.4880 0.5446 0.5446 0.5693 0.5693 7.3581 7.3581 7.5931 7.5931 7.6708 7.6708 9.3407 9.3407 11.3529 11.3529 k = 0.0000 0.0000 0.1100 ( 11915 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.6163 -19.6163 -19.1970 -19.1970 -19.1970 -19.1970 -18.9155 -18.9155 -18.7861 -18.7861 -18.7617 -18.7617 -2.4907 -2.4907 -2.4814 -2.4814 -2.2855 -2.2855 -1.5605 -1.5605 -1.3398 -1.3398 -1.3251 -1.3251 -1.1238 -1.1238 -0.7772 -0.7772 -0.7569 -0.7569 -0.4881 -0.4881 -0.3065 -0.3065 -0.1692 -0.1692 -0.1482 -0.1482 0.2304 0.2304 0.2559 0.2559 0.4708 0.4708 0.5370 0.5370 0.5677 0.5677 7.3623 7.3623 7.5915 7.5915 7.6694 7.6694 9.3699 9.3699 11.3667 11.3667 k = 0.0000 0.0000 0.1257 ( 11915 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.6123 -19.6123 -19.1970 -19.1970 -19.1970 -19.1970 -18.9198 -18.9198 -18.7863 -18.7863 -18.7618 -18.7618 -2.4805 -2.4805 -2.4713 -2.4713 -2.2677 -2.2677 -1.5534 -1.5534 -1.3624 -1.3624 -1.3477 -1.3477 -1.1215 -1.1215 -0.7878 -0.7878 -0.7649 -0.7649 -0.4910 -0.4910 -0.3141 -0.3141 -0.1523 -0.1523 -0.1336 -0.1336 0.2395 0.2395 0.2648 0.2648 0.4481 0.4481 0.5313 0.5313 0.5660 0.5660 7.3672 7.3672 7.5896 7.5896 7.6677 7.6677 9.4033 9.4033 11.3825 11.3825 k = 0.0000 0.0000 0.1414 ( 11915 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.6079 -19.6079 -19.1970 -19.1970 -19.1970 -19.1970 -18.9247 -18.9247 -18.7865 -18.7865 -18.7619 -18.7619 -2.4691 -2.4691 -2.4600 -2.4600 -2.2477 -2.2477 -1.5453 -1.5453 -1.3861 -1.3861 -1.3713 -1.3713 -1.1189 -1.1189 -0.8009 -0.8009 -0.7755 -0.7755 -0.4943 -0.4943 -0.3227 -0.3227 -0.1333 -0.1333 -0.1168 -0.1168 0.2491 0.2491 0.2742 0.2742 0.4209 0.4209 0.5270 0.5270 0.5640 0.5640 7.3725 7.3725 7.5876 7.5876 7.6659 7.6659 9.4408 9.4408 11.4000 11.4000 k = 0.0000 0.0000 0.1572 ( 11927 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.6030 -19.6030 -19.1970 -19.1970 -19.1970 -19.1970 -18.9301 -18.9301 -18.7867 -18.7867 -18.7620 -18.7620 -2.4564 -2.4564 -2.4475 -2.4475 -2.2254 -2.2254 -1.5365 -1.5365 -1.4104 -1.4104 -1.3956 -1.3956 -1.1161 -1.1161 -0.8165 -0.8165 -0.7888 -0.7888 -0.4979 -0.4979 -0.3323 -0.3323 -0.1126 -0.1126 -0.0981 -0.0981 0.2593 0.2593 0.2841 0.2841 0.3899 0.3899 0.5234 0.5234 0.5619 0.5619 7.3784 7.3784 7.5854 7.5854 7.6639 7.6639 9.4822 9.4822 11.4192 11.4192 k = 0.0000 0.0000 0.1729 ( 11933 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5977 -19.5977 -19.1970 -19.1970 -19.1970 -19.1970 -18.9359 -18.9359 -18.7868 -18.7868 -18.7621 -18.7621 -2.4425 -2.4425 -2.4338 -2.4338 -2.2009 -2.2009 -1.5270 -1.5270 -1.4351 -1.4351 -1.4201 -1.4201 -1.1130 -1.1130 -0.8345 -0.8345 -0.8047 -0.8047 -0.5017 -0.5017 -0.3429 -0.3429 -0.0903 -0.0903 -0.0777 -0.0777 0.2699 0.2699 0.2943 0.2943 0.3554 0.3554 0.5203 0.5203 0.5597 0.5597 7.3847 7.3847 7.5831 7.5831 7.6618 7.6618 9.5274 9.5274 11.4399 11.4399 k = 0.0000 0.0000 0.1886 ( 11933 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5919 -19.5919 -19.1970 -19.1970 -19.1970 -19.1970 -18.9422 -18.9422 -18.7870 -18.7870 -18.7622 -18.7622 -2.4275 -2.4275 -2.4189 -2.4189 -2.1743 -2.1743 -1.5169 -1.5169 -1.4599 -1.4599 -1.4446 -1.4446 -1.1098 -1.1098 -0.8547 -0.8547 -0.8231 -0.8231 -0.5059 -0.5059 -0.3544 -0.3544 -0.0669 -0.0669 -0.0560 -0.0560 0.2805 0.2805 0.3048 0.3048 0.3182 0.3182 0.5175 0.5175 0.5574 0.5574 7.3913 7.3913 7.5805 7.5805 7.6595 7.6595 9.5762 9.5762 11.4620 11.4620 k = 0.0000 0.0000 0.2043 ( 11945 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5858 -19.5858 -19.1970 -19.1970 -19.1970 -19.1970 -18.9489 -18.9489 -18.7872 -18.7872 -18.7623 -18.7623 -2.4115 -2.4115 -2.4030 -2.4030 -2.1456 -2.1456 -1.5069 -1.5069 -1.4845 -1.4845 -1.4682 -1.4682 -1.1063 -1.1063 -0.8769 -0.8769 -0.8437 -0.8437 -0.5102 -0.5102 -0.3668 -0.3668 -0.0428 -0.0428 -0.0331 -0.0331 0.2770 0.2770 0.2927 0.2927 0.3154 0.3154 0.5148 0.5148 0.5551 0.5551 7.3983 7.3983 7.5779 7.5779 7.6572 7.6572 9.6285 9.6285 11.4854 11.4854 k = 0.0000 0.0000 0.2200 ( 11957 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5793 -19.5793 -19.1970 -19.1970 -19.1970 -19.1970 -18.9561 -18.9561 -18.7874 -18.7874 -18.7624 -18.7624 -2.3944 -2.3944 -2.3861 -2.3861 -2.1148 -2.1148 -1.5087 -1.5087 -1.5032 -1.5032 -1.4845 -1.4845 -1.1027 -1.1027 -0.9009 -0.9009 -0.8664 -0.8664 -0.5148 -0.5148 -0.3800 -0.3800 -0.0182 -0.0182 -0.0095 -0.0095 0.2353 0.2353 0.3031 0.3031 0.3260 0.3260 0.5124 0.5124 0.5527 0.5527 7.4056 7.4056 7.5751 7.5751 7.6548 7.6548 9.6842 9.6842 11.5099 11.5099 k = 0.0000 0.0000 0.2357 ( 11945 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5724 -19.5724 -19.1970 -19.1970 -19.1970 -19.1970 -18.9635 -18.9635 -18.7876 -18.7876 -18.7626 -18.7626 -2.3764 -2.3764 -2.3683 -2.3683 -2.0821 -2.0821 -1.5323 -1.5323 -1.5209 -1.5209 -1.4782 -1.4782 -1.0989 -1.0989 -0.9265 -0.9265 -0.8909 -0.8909 -0.5196 -0.5196 -0.3941 -0.3941 0.0066 0.0066 0.0145 0.0145 0.1910 0.1910 0.3140 0.3140 0.3365 0.3365 0.5101 0.5101 0.5503 0.5503 7.4130 7.4130 7.5723 7.5723 7.6524 7.6524 9.7429 9.7429 11.5353 11.5353 k = 0.0000 0.0000 0.2515 ( 11932 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5653 -19.5653 -19.1970 -19.1970 -19.1970 -19.1970 -18.9713 -18.9713 -18.7878 -18.7878 -18.7627 -18.7627 -2.3576 -2.3576 -2.3495 -2.3495 -2.0475 -2.0475 -1.5551 -1.5551 -1.5429 -1.5429 -1.4662 -1.4662 -1.0950 -1.0950 -0.9535 -0.9535 -0.9171 -0.9171 -0.5245 -0.5245 -0.4089 -0.4089 0.0311 0.0311 0.0387 0.0387 0.1450 0.1450 0.3248 0.3248 0.3468 0.3468 0.5080 0.5080 0.5480 0.5480 7.4206 7.4206 7.5694 7.5694 7.6500 7.6500 9.8047 9.8047 11.5614 11.5614 k = 0.0000 0.0000 0.2672 ( 11914 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5579 -19.5579 -19.1969 -19.1969 -19.1969 -19.1969 -18.9794 -18.9794 -18.7880 -18.7880 -18.7628 -18.7628 -2.3381 -2.3381 -2.3300 -2.3300 -2.0111 -2.0111 -1.5769 -1.5769 -1.5647 -1.5647 -1.4533 -1.4533 -1.0911 -1.0911 -0.9816 -0.9816 -0.9445 -0.9445 -0.5295 -0.5295 -0.4245 -0.4245 0.0540 0.0540 0.0628 0.0628 0.0987 0.0987 0.3353 0.3353 0.3568 0.3568 0.5061 0.5061 0.5458 0.5458 7.4283 7.4283 7.5665 7.5665 7.6476 7.6476 9.8692 9.8692 11.5881 11.5881 k = 0.0000 0.0000 0.2829 ( 11908 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5503 -19.5503 -19.1969 -19.1969 -19.1969 -19.1969 -18.9877 -18.9877 -18.7882 -18.7882 -18.7630 -18.7630 -2.3180 -2.3180 -2.3099 -2.3099 -1.9731 -1.9731 -1.5976 -1.5976 -1.5856 -1.5856 -1.4398 -1.4398 -1.0872 -1.0872 -1.0106 -1.0106 -0.9732 -0.9732 -0.5346 -0.5346 -0.4410 -0.4410 0.0444 0.0444 0.0831 0.0831 0.0866 0.0866 0.3455 0.3455 0.3665 0.3665 0.5045 0.5045 0.5437 0.5437 7.4359 7.4359 7.5635 7.5635 7.6453 7.6453 9.9363 9.9363 11.6150 11.6150 k = 0.0000 0.0000 0.2986 ( 11920 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5426 -19.5426 -19.1969 -19.1969 -19.1969 -19.1969 -18.9961 -18.9961 -18.7884 -18.7884 -18.7631 -18.7631 -2.2974 -2.2974 -2.2892 -2.2892 -1.9334 -1.9334 -1.6170 -1.6170 -1.6053 -1.6053 -1.4259 -1.4259 -1.0838 -1.0838 -1.0400 -1.0400 -1.0027 -1.0027 -0.5398 -0.5398 -0.4582 -0.4582 -0.0036 -0.0036 0.1044 0.1044 0.1097 0.1097 0.3552 0.3552 0.3758 0.3758 0.5033 0.5033 0.5418 0.5418 7.4434 7.4434 7.5606 7.5606 7.6431 7.6431 10.0059 10.0059 11.6420 11.6420 k = 0.0000 0.0000 0.3143 ( 11926 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5347 -19.5347 -19.1969 -19.1969 -19.1969 -19.1969 -19.0046 -19.0046 -18.7885 -18.7885 -18.7632 -18.7632 -2.2764 -2.2764 -2.2681 -2.2681 -1.8923 -1.8923 -1.6350 -1.6350 -1.6236 -1.6236 -1.4119 -1.4119 -1.0839 -1.0839 -1.0664 -1.0664 -1.0330 -1.0330 -0.5449 -0.5449 -0.4762 -0.4762 -0.0537 -0.0537 0.1262 0.1262 0.1321 0.1321 0.3643 0.3643 0.3845 0.3845 0.5024 0.5024 0.5402 0.5402 7.4508 7.4508 7.5577 7.5577 7.6409 7.6409 10.0778 10.0778 11.6689 11.6689 k = 0.0000 0.0000 0.3300 ( 11920 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5268 -19.5268 -19.1969 -19.1969 -19.1969 -19.1969 -19.0132 -19.0132 -18.7887 -18.7887 -18.7633 -18.7633 -2.2554 -2.2554 -2.2468 -2.2468 -1.8499 -1.8499 -1.6514 -1.6514 -1.6405 -1.6405 -1.3978 -1.3978 -1.1056 -1.1056 -1.0716 -1.0716 -1.0637 -1.0637 -0.5500 -0.5500 -0.4952 -0.4952 -0.1039 -0.1039 0.1471 0.1471 0.1536 0.1536 0.3726 0.3726 0.3927 0.3927 0.5020 0.5020 0.5388 0.5388 7.4579 7.4579 7.5549 7.5549 7.6389 7.6389 10.1518 10.1518 11.6954 11.6954 k = 0.0000 0.0000 0.3457 ( 11944 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5189 -19.5189 -19.1969 -19.1969 -19.1969 -19.1969 -19.0217 -19.0217 -18.7889 -18.7889 -18.7634 -18.7634 -2.2344 -2.2344 -2.2254 -2.2254 -1.8065 -1.8065 -1.6661 -1.6661 -1.6557 -1.6557 -1.3838 -1.3838 -1.1358 -1.1358 -1.0948 -1.0948 -1.0687 -1.0687 -0.5549 -0.5549 -0.5153 -0.5153 -0.1537 -0.1537 0.1669 0.1669 0.1740 0.1740 0.3802 0.3802 0.4001 0.4001 0.5022 0.5022 0.5378 0.5378 7.4648 7.4648 7.5521 7.5521 7.6371 7.6371 10.2276 10.2276 11.7213 11.7213 k = 0.0000 0.0000 0.3615 ( 11920 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5111 -19.5111 -19.1969 -19.1969 -19.1969 -19.1969 -19.0301 -19.0301 -18.7890 -18.7890 -18.7636 -18.7636 -2.2137 -2.2137 -2.2043 -2.2043 -1.7623 -1.7623 -1.6790 -1.6790 -1.6688 -1.6688 -1.3701 -1.3701 -1.1667 -1.1667 -1.1258 -1.1258 -1.0651 -1.0651 -0.5598 -0.5598 -0.5367 -0.5367 -0.2023 -0.2023 0.1854 0.1854 0.1932 0.1932 0.3868 0.3868 0.4068 0.4068 0.5030 0.5030 0.5372 0.5372 7.4712 7.4712 7.5495 7.5495 7.6354 7.6354 10.3052 10.3052 11.7463 11.7463 k = 0.0000 0.0000 0.3772 ( 11926 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.5034 -19.5034 -19.1969 -19.1969 -19.1969 -19.1969 -19.0383 -19.0383 -18.7891 -18.7891 -18.7637 -18.7637 -2.1936 -2.1936 -2.1835 -2.1835 -1.7186 -1.7186 -1.6899 -1.6899 -1.6790 -1.6790 -1.3566 -1.3566 -1.1976 -1.1976 -1.1566 -1.1566 -1.0614 -1.0614 -0.5646 -0.5646 -0.5594 -0.5594 -0.2491 -0.2491 0.2026 0.2026 0.2110 0.2110 0.3924 0.3924 0.4126 0.4126 0.5044 0.5044 0.5370 0.5370 7.4773 7.4773 7.5470 7.5470 7.6340 7.6340 10.3843 10.3843 11.7702 11.7702 k = 0.0000 0.0000 0.3929 ( 11926 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4961 -19.4961 -19.1969 -19.1969 -19.1969 -19.1969 -19.0462 -19.0462 -18.7893 -18.7893 -18.7638 -18.7638 -2.1744 -2.1744 -2.1635 -2.1635 -1.6987 -1.6987 -1.6952 -1.6952 -1.6663 -1.6663 -1.3438 -1.3438 -1.2280 -1.2280 -1.1869 -1.1869 -1.0579 -1.0579 -0.5845 -0.5845 -0.5686 -0.5686 -0.2930 -0.2930 0.2182 0.2182 0.2275 0.2275 0.3969 0.3969 0.4175 0.4175 0.5063 0.5063 0.5373 0.5373 7.4828 7.4828 7.5447 7.5447 7.6327 7.6327 10.4646 10.4646 11.7928 11.7928 k = 0.0000 0.0000 0.4086 ( 11920 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4891 -19.4891 -19.1969 -19.1969 -19.1969 -19.1969 -19.0537 -19.0537 -18.7894 -18.7894 -18.7639 -18.7639 -2.1563 -2.1563 -2.1445 -2.1445 -1.7053 -1.7053 -1.7002 -1.7002 -1.6232 -1.6232 -1.3316 -1.3316 -1.2575 -1.2575 -1.2163 -1.2163 -1.0546 -1.0546 -0.6114 -0.6114 -0.5727 -0.5727 -0.3333 -0.3333 0.2324 0.2324 0.2425 0.2425 0.4005 0.4005 0.4215 0.4215 0.5087 0.5087 0.5379 0.5379 7.4878 7.4878 7.5426 7.5426 7.6317 7.6317 10.5459 10.5459 11.8137 11.8137 k = 0.0000 0.0000 0.4243 ( 11932 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4825 -19.4825 -19.1969 -19.1969 -19.1969 -19.1969 -19.0607 -19.0607 -18.7895 -18.7895 -18.7639 -18.7639 -2.1396 -2.1396 -2.1268 -2.1268 -1.7098 -1.7098 -1.7052 -1.7052 -1.5785 -1.5785 -1.3207 -1.3207 -1.2855 -1.2855 -1.2445 -1.2445 -1.0515 -1.0515 -0.6405 -0.6405 -0.5765 -0.5765 -0.3691 -0.3691 0.2450 0.2450 0.2559 0.2559 0.4031 0.4031 0.4247 0.4247 0.5115 0.5115 0.5389 0.5389 7.4922 7.4922 7.5406 7.5406 7.6308 7.6308 10.6279 10.6279 11.8328 11.8331 k = 0.0000 0.0000 0.4400 ( 11932 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4766 -19.4766 -19.1969 -19.1969 -19.1969 -19.1969 -19.0671 -19.0671 -18.7895 -18.7895 -18.7640 -18.7640 -2.1247 -2.1247 -2.1109 -2.1109 -1.7123 -1.7123 -1.7084 -1.7084 -1.5347 -1.5347 -1.3171 -1.3171 -1.3055 -1.3055 -1.2710 -1.2710 -1.0488 -1.0488 -0.6715 -0.6715 -0.5798 -0.5798 -0.3999 -0.3999 0.2560 0.2560 0.2677 0.2677 0.4050 0.4050 0.4271 0.4271 0.5144 0.5144 0.5401 0.5401 7.4961 7.4961 7.5389 7.5389 7.6302 7.6302 10.7100 10.7100 11.8498 11.8499 k = 0.0000 0.0000 0.4558 ( 11932 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4713 -19.4713 -19.1969 -19.1969 -19.1969 -19.1969 -19.0727 -19.0727 -18.7896 -18.7896 -18.7641 -18.7641 -2.1118 -2.1118 -2.0969 -2.0969 -1.7130 -1.7130 -1.7098 -1.7098 -1.4930 -1.4930 -1.3387 -1.3387 -1.2994 -1.2994 -1.2952 -1.2952 -1.0464 -1.0464 -0.7034 -0.7034 -0.5827 -0.5827 -0.4253 -0.4253 0.2655 0.2655 0.2778 0.2778 0.4062 0.4062 0.4288 0.4288 0.5172 0.5172 0.5414 0.5414 7.4993 7.4993 7.5374 7.5374 7.6297 7.6297 10.7916 10.7916 11.7973 11.7973 k = 0.0000 0.0000 0.4715 ( 11908 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4668 -19.4668 -19.1969 -19.1969 -19.1969 -19.1969 -19.0775 -19.0775 -18.7897 -18.7897 -18.7641 -18.7641 -2.1011 -2.1011 -2.0852 -2.0852 -1.7122 -1.7122 -1.7096 -1.7096 -1.4545 -1.4545 -1.3602 -1.3602 -1.3166 -1.3166 -1.2920 -1.2920 -1.0444 -1.0444 -0.7348 -0.7348 -0.5851 -0.5851 -0.4455 -0.4455 0.2732 0.2732 0.2862 0.2862 0.4069 0.4069 0.4299 0.4299 0.5198 0.5198 0.5427 0.5427 7.5020 7.5020 7.5362 7.5362 7.6294 7.6294 10.8716 10.8716 11.7124 11.7124 k = 0.0000 0.0000 0.4872 ( 11902 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4631 -19.4631 -19.1969 -19.1969 -19.1969 -19.1969 -19.0813 -19.0813 -18.7897 -18.7897 -18.7642 -18.7642 -2.0928 -2.0928 -2.0759 -2.0759 -1.7105 -1.7105 -1.7084 -1.7084 -1.4210 -1.4210 -1.3784 -1.3784 -1.3343 -1.3343 -1.2858 -1.2858 -1.0428 -1.0428 -0.7634 -0.7634 -0.5871 -0.5871 -0.4608 -0.4608 0.2793 0.2793 0.2929 0.2929 0.4073 0.4073 0.4306 0.4306 0.5220 0.5220 0.5439 0.5439 7.5040 7.5040 7.5352 7.5352 7.6291 7.6291 10.9477 10.9477 11.6323 11.6323 k = 0.0000 0.0000 0.5029 ( 11896 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4605 -19.4605 -19.1969 -19.1969 -19.1969 -19.1969 -19.0841 -19.0841 -18.7898 -18.7898 -18.7642 -18.7642 -2.0867 -2.0867 -2.0692 -2.0692 -1.7086 -1.7086 -1.7068 -1.7068 -1.3945 -1.3945 -1.3922 -1.3922 -1.3478 -1.3478 -1.2813 -1.2813 -1.0416 -1.0416 -0.7868 -0.7868 -0.5885 -0.5885 -0.4714 -0.4714 0.2837 0.2837 0.2976 0.2976 0.4074 0.4074 0.4310 0.4310 0.5237 0.5237 0.5448 0.5448 7.5055 7.5055 7.5345 7.5345 7.6290 7.6290 11.0158 11.0158 11.5615 11.5615 k = 0.0000 0.0000 0.5186 ( 11920 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4589 -19.4589 -19.1969 -19.1969 -19.1969 -19.1969 -19.0859 -19.0859 -18.7898 -18.7898 -18.7642 -18.7642 -2.0831 -2.0831 -2.0651 -2.0651 -1.7072 -1.7072 -1.7055 -1.7055 -1.4009 -1.4009 -1.3773 -1.3773 -1.3562 -1.3562 -1.2785 -1.2785 -1.0409 -1.0409 -0.8023 -0.8023 -0.5893 -0.5893 -0.4777 -0.4777 0.2864 0.2864 0.3005 0.3005 0.4075 0.4075 0.4312 0.4312 0.5248 0.5248 0.5454 0.5454 7.5063 7.5063 7.5341 7.5341 7.6289 7.6289 11.0671 11.0671 11.5085 11.5085 k = 0.0000 0.0000 0.5343 ( 11896 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4583 -19.4583 -19.1969 -19.1969 -19.1969 -19.1969 -19.0865 -19.0865 -18.7898 -18.7898 -18.7642 -18.7642 -2.0819 -2.0819 -2.0638 -2.0638 -1.7066 -1.7066 -1.7050 -1.7050 -1.4039 -1.4039 -1.3714 -1.3714 -1.3590 -1.3590 -1.2775 -1.2775 -1.0407 -1.0407 -0.8077 -0.8077 -0.5896 -0.5896 -0.4798 -0.4798 0.2872 0.2872 0.3015 0.3015 0.4075 0.4075 0.4313 0.4313 0.5251 0.5251 0.5456 0.5456 7.5066 7.5066 7.5339 7.5339 7.6289 7.6289 11.0872 11.0872 11.4878 11.4878 k = 0.0000 0.0000 0.5343 ( 11896 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4583 -19.4583 -19.1969 -19.1969 -19.1969 -19.1969 -19.0865 -19.0865 -18.7898 -18.7898 -18.7642 -18.7642 -2.0819 -2.0819 -2.0638 -2.0638 -1.7066 -1.7066 -1.7050 -1.7050 -1.4039 -1.4039 -1.3714 -1.3714 -1.3590 -1.3590 -1.2775 -1.2775 -1.0407 -1.0407 -0.8077 -0.8077 -0.5896 -0.5896 -0.4798 -0.4798 0.2872 0.2872 0.3015 0.3015 0.4075 0.4075 0.4313 0.4313 0.5251 0.5251 0.5456 0.5456 7.5066 7.5066 7.5339 7.5339 7.6289 7.6289 11.0872 11.0872 11.4878 11.4878 k = 0.0135 0.0078 0.5343 ( 11924 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4580 -19.4580 -19.1974 -19.1974 -19.1970 -19.1970 -19.0858 -19.0858 -18.7899 -18.7899 -18.7644 -18.7644 -2.0822 -2.0822 -2.0640 -2.0640 -1.7099 -1.7099 -1.7078 -1.7078 -1.4073 -1.4073 -1.3722 -1.3722 -1.3615 -1.3615 -1.2659 -1.2659 -1.0384 -1.0384 -0.8063 -0.8063 -0.5887 -0.5887 -0.4795 -0.4795 0.2868 0.2868 0.3012 0.3012 0.4071 0.4071 0.4309 0.4309 0.5245 0.5245 0.5449 0.5449 7.5066 7.5066 7.5337 7.5337 7.6287 7.6287 11.0894 11.0894 11.4842 11.4842 k = 0.0270 0.0156 0.5343 ( 11908 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4571 -19.4571 -19.1989 -19.1989 -19.1973 -19.1973 -19.0840 -19.0840 -18.7904 -18.7904 -18.7648 -18.7648 -2.0831 -2.0831 -2.0645 -2.0645 -1.7201 -1.7201 -1.7158 -1.7158 -1.4190 -1.4190 -1.3723 -1.3723 -1.3624 -1.3624 -1.2387 -1.2387 -1.0317 -1.0317 -0.8020 -0.8020 -0.5861 -0.5861 -0.4785 -0.4785 0.2855 0.2855 0.3002 0.3002 0.4060 0.4060 0.4297 0.4297 0.5224 0.5224 0.5428 0.5428 7.5063 7.5063 7.5331 7.5331 7.6282 7.6282 11.0959 11.0959 11.4736 11.4736 k = 0.0405 0.0234 0.5343 ( 11924 PWs) bands (ev): -40.2503 -40.2503 -40.2277 -40.2277 -19.4556 -19.4556 -19.2014 -19.2014 -19.1977 -19.1977 -19.0811 -19.0811 -18.7911 -18.7911 -18.7655 -18.7655 -2.0851 -2.0851 -2.0649 -2.0649 -1.7360 -1.7360 -1.7285 -1.7285 -1.4361 -1.4361 -1.3692 -1.3692 -1.3599 -1.3599 -1.2044 -1.2044 -1.0208 -1.0208 -0.7951 -0.7951 -0.5818 -0.5818 -0.4769 -0.4769 0.2833 0.2833 0.2988 0.2988 0.4040 0.4040 0.4278 0.4278 0.5186 0.5186 0.5399 0.5399 7.5058 7.5058 7.5320 7.5320 7.6272 7.6272 11.1068 11.1068 11.4570 11.4570 k = 0.0541 0.0312 0.5343 ( 11922 PWs) bands (ev): -40.2502 -40.2502 -40.2277 -40.2277 -19.4535 -19.4535 -19.2046 -19.2046 -19.1984 -19.1984 -19.0772 -19.0772 -18.7921 -18.7921 -18.7666 -18.7666 -2.0888 -2.0888 -2.0649 -2.0649 -1.7561 -1.7561 -1.7459 -1.7459 -1.4536 -1.4536 -1.3650 -1.3650 -1.3546 -1.3546 -1.1666 -1.1666 -1.0058 -1.0058 -0.7856 -0.7856 -0.5757 -0.5757 -0.4745 -0.4745 0.2798 0.2798 0.2969 0.2969 0.4013 0.4013 0.4252 0.4252 0.5126 0.5126 0.5366 0.5366 7.5052 7.5052 7.5305 7.5305 7.6260 7.6260 11.1220 11.1220 11.4358 11.4358 k = 0.0676 0.0390 0.5343 ( 11922 PWs) bands (ev): -40.2502 -40.2502 -40.2278 -40.2278 -19.4508 -19.4508 -19.2084 -19.2084 -19.1992 -19.1992 -19.0725 -19.0725 -18.7935 -18.7935 -18.7678 -18.7678 -2.0941 -2.0941 -2.0647 -2.0647 -1.7787 -1.7787 -1.7673 -1.7673 -1.4692 -1.4692 -1.3609 -1.3609 -1.3474 -1.3474 -1.1266 -1.1266 -0.9871 -0.9871 -0.7739 -0.7739 -0.5680 -0.5680 -0.4714 -0.4714 0.2749 0.2749 0.2947 0.2947 0.3977 0.3977 0.4220 0.4220 0.5044 0.5044 0.5334 0.5334 7.5042 7.5042 7.5287 7.5287 7.6244 7.6244 11.1414 11.1414 11.4111 11.4111 k = 0.0811 0.0468 0.5343 ( 11938 PWs) bands (ev): -40.2501 -40.2501 -40.2279 -40.2279 -19.4476 -19.4476 -19.2126 -19.2126 -19.2002 -19.2002 -19.0672 -19.0672 -18.7951 -18.7951 -18.7694 -18.7694 -2.1007 -2.1007 -2.0653 -2.0653 -1.8025 -1.8025 -1.7917 -1.7917 -1.4823 -1.4823 -1.3566 -1.3566 -1.3400 -1.3400 -1.0852 -1.0852 -0.9651 -0.9651 -0.7605 -0.7605 -0.5587 -0.5587 -0.4673 -0.4673 0.2684 0.2684 0.2924 0.2924 0.3931 0.3931 0.4180 0.4180 0.4942 0.4942 0.5302 0.5302 7.5029 7.5029 7.5266 7.5266 7.6225 7.6225 11.1649 11.1649 11.3840 11.3840 k = 0.0946 0.0546 0.5343 ( 11944 PWs) bands (ev): -40.2499 -40.2499 -40.2281 -40.2281 -19.4437 -19.4437 -19.2172 -19.2172 -19.2014 -19.2014 -19.0614 -19.0614 -18.7971 -18.7971 -18.7711 -18.7711 -2.1083 -2.1083 -2.0677 -2.0677 -1.8270 -1.8270 -1.8167 -1.8167 -1.4931 -1.4931 -1.3519 -1.3519 -1.3331 -1.3331 -1.0429 -1.0429 -0.9401 -0.9401 -0.7458 -0.7458 -0.5479 -0.5479 -0.4622 -0.4622 0.2602 0.2602 0.2898 0.2898 0.3877 0.3877 0.4134 0.4134 0.4825 0.4825 0.5268 0.5268 7.5012 7.5012 7.5243 7.5243 7.6203 7.6203 11.1924 11.1924 11.3554 11.3554 k = 0.1081 0.0624 0.5343 ( 11940 PWs) bands (ev): -40.2498 -40.2498 -40.2282 -40.2282 -19.4394 -19.4394 -19.2220 -19.2220 -19.2027 -19.2027 -19.0553 -19.0553 -18.7995 -18.7995 -18.7731 -18.7731 -2.1167 -2.1167 -2.0733 -2.0733 -1.8545 -1.8545 -1.8375 -1.8375 -1.5016 -1.5016 -1.3467 -1.3467 -1.3273 -1.3273 -1.0001 -1.0001 -0.9125 -0.9125 -0.7303 -0.7303 -0.5356 -0.5356 -0.4559 -0.4559 0.2499 0.2499 0.2871 0.2871 0.3815 0.3815 0.4079 0.4079 0.4700 0.4700 0.5234 0.5234 7.4991 7.4991 7.5218 7.5218 7.6179 7.6179 11.2237 11.2237 11.3257 11.3257 k = 0.1216 0.0702 0.5343 ( 11942 PWs) bands (ev): -40.2497 -40.2497 -40.2283 -40.2283 -19.4345 -19.4345 -19.2269 -19.2269 -19.2041 -19.2041 -19.0489 -19.0489 -18.8022 -18.8022 -18.7752 -18.7752 -2.1255 -2.1255 -2.0836 -2.0836 -1.8850 -1.8850 -1.8517 -1.8517 -1.5084 -1.5084 -1.3410 -1.3410 -1.3227 -1.3227 -0.9571 -0.9571 -0.8826 -0.8826 -0.7148 -0.7148 -0.5220 -0.5220 -0.4481 -0.4481 0.2373 0.2373 0.2842 0.2842 0.3744 0.3744 0.4015 0.4015 0.4574 0.4574 0.5196 0.5196 7.4963 7.4963 7.5191 7.5191 7.6153 7.6153 11.2585 11.2585 11.2957 11.2957 k = 0.1351 0.0780 0.5343 ( 11942 PWs) bands (ev): -40.2495 -40.2495 -40.2285 -40.2285 -19.4290 -19.4290 -19.2319 -19.2319 -19.2056 -19.2056 -19.0423 -19.0423 -18.8053 -18.8053 -18.7774 -18.7774 -2.1346 -2.1346 -2.0992 -2.0992 -1.9168 -1.9168 -1.8590 -1.8590 -1.5136 -1.5136 -1.3348 -1.3348 -1.3191 -1.3191 -0.9141 -0.9141 -0.8507 -0.8507 -0.6999 -0.6999 -0.5074 -0.5074 -0.4384 -0.4384 0.2224 0.2224 0.2811 0.2811 0.3665 0.3665 0.3939 0.3939 0.4453 0.4453 0.5156 0.5156 7.4929 7.4929 7.5165 7.5165 7.6125 7.6125 11.2647 11.2647 11.2972 11.2972 k = 0.1486 0.0858 0.5343 ( 11934 PWs) bands (ev): -40.2493 -40.2493 -40.2287 -40.2287 -19.4231 -19.4231 -19.2368 -19.2368 -19.2073 -19.2073 -19.0355 -19.0355 -18.8089 -18.8089 -18.7797 -18.7797 -2.1438 -2.1438 -2.1199 -2.1199 -1.9493 -1.9493 -1.8598 -1.8598 -1.5174 -1.5174 -1.3286 -1.3286 -1.3163 -1.3163 -0.8715 -0.8715 -0.8170 -0.8170 -0.6861 -0.6861 -0.4922 -0.4922 -0.4265 -0.4265 0.2048 0.2048 0.2778 0.2778 0.3581 0.3581 0.3850 0.3850 0.4342 0.4342 0.5112 0.5112 7.4889 7.4889 7.5138 7.5138 7.6097 7.6097 11.2347 11.2347 11.3378 11.3378 k = 0.1622 0.0936 0.5343 ( 11944 PWs) bands (ev): -40.2491 -40.2491 -40.2289 -40.2289 -19.4167 -19.4167 -19.2417 -19.2417 -19.2090 -19.2090 -19.0288 -19.0288 -18.8128 -18.8128 -18.7822 -18.7822 -2.1545 -2.1545 -2.1435 -2.1435 -1.9818 -1.9818 -1.8549 -1.8549 -1.5202 -1.5202 -1.3231 -1.3231 -1.3132 -1.3132 -0.8298 -0.8298 -0.7816 -0.7816 -0.6740 -0.6740 -0.4768 -0.4768 -0.4121 -0.4121 0.1846 0.1846 0.2743 0.2743 0.3491 0.3491 0.3751 0.3751 0.4244 0.4244 0.5065 0.5065 7.4842 7.4842 7.5110 7.5110 7.6068 7.6068 11.2049 11.2049 11.3805 11.3805 k = 0.1757 0.1014 0.5343 ( 11940 PWs) bands (ev): -40.2489 -40.2489 -40.2291 -40.2291 -19.4099 -19.4099 -19.2465 -19.2465 -19.2107 -19.2107 -19.0220 -19.0220 -18.8172 -18.8172 -18.7846 -18.7846 -2.1763 -2.1763 -2.1585 -2.1585 -2.0142 -2.0142 -1.8453 -1.8453 -1.5220 -1.5220 -1.3200 -1.3200 -1.3081 -1.3081 -0.7893 -0.7893 -0.7444 -0.7444 -0.6639 -0.6639 -0.4613 -0.4613 -0.3951 -0.3951 0.1616 0.1616 0.2705 0.2705 0.3397 0.3397 0.3645 0.3645 0.4156 0.4156 0.5015 0.5015 7.4789 7.4789 7.5082 7.5082 7.6039 7.6039 11.1755 11.1755 11.4238 11.4238 k = 0.1892 0.1092 0.5343 ( 11918 PWs) bands (ev): -40.2487 -40.2487 -40.2293 -40.2293 -19.4026 -19.4026 -19.2513 -19.2513 -19.2124 -19.2124 -19.0153 -19.0153 -18.8220 -18.8220 -18.7871 -18.7871 -2.2061 -2.2061 -2.1673 -2.1673 -2.0461 -2.0461 -1.8321 -1.8321 -1.5230 -1.5230 -1.3193 -1.3193 -1.3010 -1.3010 -0.7503 -0.7503 -0.7058 -0.7058 -0.6559 -0.6559 -0.4460 -0.4460 -0.3755 -0.3755 0.1362 0.1362 0.2666 0.2666 0.3302 0.3302 0.3537 0.3537 0.4076 0.4076 0.4961 0.4961 7.4731 7.4731 7.5052 7.5052 7.6011 7.6011 11.1468 11.1468 11.4652 11.4652 k = 0.2027 0.1170 0.5343 ( 11912 PWs) bands (ev): -40.2484 -40.2484 -40.2296 -40.2296 -19.3950 -19.3950 -19.2558 -19.2558 -19.2141 -19.2141 -19.0086 -19.0086 -18.8273 -18.8273 -18.7895 -18.7895 -2.2376 -2.2376 -2.1750 -2.1750 -2.0772 -2.0772 -1.8160 -1.8160 -1.5232 -1.5232 -1.3197 -1.3197 -1.2927 -1.2927 -0.7132 -0.7132 -0.6665 -0.6665 -0.6498 -0.6498 -0.4307 -0.4307 -0.3539 -0.3539 0.1085 0.1085 0.2624 0.2624 0.3205 0.3205 0.3429 0.3429 0.4000 0.4000 0.4905 0.4905 7.4667 7.4667 7.5020 7.5020 7.5983 7.5983 11.1189 11.1189 11.5006 11.5006 k = 0.2162 0.1248 0.5343 ( 11912 PWs) bands (ev): -40.2482 -40.2482 -40.2298 -40.2298 -19.3871 -19.3871 -19.2602 -19.2602 -19.2158 -19.2158 -19.0021 -19.0021 -18.8330 -18.8330 -18.7919 -18.7919 -2.2697 -2.2697 -2.1821 -2.1821 -2.1075 -2.1075 -1.7976 -1.7976 -1.5227 -1.5227 -1.3206 -1.3206 -1.2840 -1.2840 -0.6778 -0.6778 -0.6486 -0.6486 -0.6238 -0.6238 -0.4152 -0.4152 -0.3309 -0.3309 0.0790 0.0790 0.2580 0.2580 0.3109 0.3109 0.3325 0.3325 0.3926 0.3926 0.4846 0.4846 7.4599 7.4599 7.4987 7.4987 7.5957 7.5957 11.0919 11.0919 11.5247 11.5247 k = 0.2297 0.1326 0.5343 ( 11912 PWs) bands (ev): -40.2479 -40.2479 -40.2301 -40.2301 -19.3789 -19.3789 -19.2645 -19.2645 -19.2174 -19.2174 -18.9958 -18.9958 -18.8391 -18.8391 -18.7943 -18.7943 -2.3018 -2.3018 -2.1888 -2.1888 -2.1364 -2.1364 -1.7774 -1.7774 -1.5216 -1.5216 -1.3218 -1.3218 -1.2749 -1.2749 -0.6477 -0.6477 -0.6440 -0.6440 -0.5829 -0.5829 -0.3995 -0.3995 -0.3070 -0.3070 0.0481 0.0481 0.2533 0.2533 0.3015 0.3015 0.3226 0.3226 0.3852 0.3852 0.4784 0.4784 7.4528 7.4528 7.4951 7.4951 7.5933 7.5933 11.0658 11.0658 11.5342 11.5342 k = 0.2432 0.1404 0.5343 ( 11906 PWs) bands (ev): -40.2476 -40.2476 -40.2304 -40.2304 -19.3705 -19.3705 -19.2685 -19.2685 -19.2188 -19.2188 -18.9897 -18.9897 -18.8456 -18.8456 -18.7966 -18.7966 -2.3336 -2.3336 -2.1960 -2.1960 -2.1631 -2.1631 -1.7558 -1.7558 -1.5198 -1.5198 -1.3230 -1.3230 -1.2656 -1.2656 -0.6493 -0.6493 -0.6122 -0.6122 -0.5418 -0.5418 -0.3834 -0.3834 -0.2827 -0.2827 0.0165 0.0165 0.2481 0.2481 0.2926 0.2926 0.3132 0.3132 0.3777 0.3777 0.4720 0.4720 7.4453 7.4453 7.4914 7.4914 7.5911 7.5911 11.0408 11.0408 11.5308 11.5308 k = 0.2568 0.1482 0.5343 ( 11912 PWs) bands (ev): -40.2473 -40.2473 -40.2306 -40.2306 -19.3619 -19.3619 -19.2724 -19.2724 -19.2201 -19.2201 -18.9838 -18.9838 -18.8524 -18.8524 -18.7988 -18.7988 -2.3648 -2.3648 -2.2072 -2.2072 -2.1838 -2.1838 -1.7331 -1.7331 -1.5174 -1.5174 -1.3239 -1.3239 -1.2561 -1.2561 -0.6534 -0.6534 -0.5822 -0.5822 -0.5012 -0.5012 -0.3670 -0.3670 -0.2584 -0.2584 -0.0153 -0.0153 0.2422 0.2422 0.2845 0.2845 0.3044 0.3044 0.3699 0.3699 0.4654 0.4654 7.4376 7.4376 7.4875 7.4875 7.5892 7.5892 11.0169 11.0169 11.5188 11.5188 k = 0.2703 0.1560 0.5343 ( 11916 PWs) bands (ev): -40.2470 -40.2470 -40.2309 -40.2309 -19.3533 -19.3533 -19.2760 -19.2760 -19.2211 -19.2211 -18.9782 -18.9782 -18.8596 -18.8596 -18.8010 -18.8010 -2.3951 -2.3951 -2.2272 -2.2272 -2.1939 -2.1939 -1.7096 -1.7096 -1.5145 -1.5145 -1.3244 -1.3244 -1.2467 -1.2467 -0.6598 -0.6598 -0.5544 -0.5544 -0.4612 -0.4612 -0.3504 -0.3504 -0.2347 -0.2347 -0.0464 -0.0464 0.2355 0.2355 0.2775 0.2775 0.2961 0.2961 0.3619 0.3619 0.4587 0.4587 7.4297 7.4297 7.4834 7.4834 7.5874 7.5874 10.9942 10.9942 11.5019 11.5019 k = 0.2838 0.1638 0.5343 ( 11914 PWs) bands (ev): -40.2467 -40.2467 -40.2312 -40.2312 -19.3447 -19.3447 -19.2795 -19.2795 -19.2218 -19.2218 -18.9729 -18.9729 -18.8671 -18.8671 -18.8030 -18.8030 -2.4243 -2.4243 -2.2505 -2.2505 -2.1985 -2.1985 -1.6856 -1.6856 -1.5110 -1.5110 -1.3243 -1.3243 -1.2372 -1.2372 -0.6684 -0.6684 -0.5292 -0.5292 -0.4224 -0.4224 -0.3336 -0.3336 -0.2118 -0.2118 -0.0758 -0.0758 0.2277 0.2277 0.2719 0.2719 0.2886 0.2886 0.3535 0.3535 0.4517 0.4517 7.4217 7.4217 7.4793 7.4793 7.5858 7.5858 10.9727 10.9727 11.4823 11.4823 k = 0.2973 0.1716 0.5343 ( 11924 PWs) bands (ev): -40.2464 -40.2464 -40.2316 -40.2316 -19.3363 -19.3363 -19.2827 -19.2827 -19.2220 -19.2220 -18.9680 -18.9680 -18.8748 -18.8748 -18.8049 -18.8049 -2.4524 -2.4524 -2.2737 -2.2737 -2.2013 -2.2013 -1.6614 -1.6614 -1.5070 -1.5070 -1.3232 -1.3232 -1.2280 -1.2280 -0.6791 -0.6791 -0.5071 -0.5071 -0.3852 -0.3852 -0.3167 -0.3167 -0.1908 -0.1908 -0.1018 -0.1018 0.2189 0.2189 0.2676 0.2676 0.2817 0.2817 0.3448 0.3448 0.4447 0.4447 7.4136 7.4136 7.4751 7.4751 7.5844 7.5844 10.9524 10.9524 11.4613 11.4613 k = 0.3108 0.1794 0.5343 ( 11916 PWs) bands (ev): -40.2461 -40.2461 -40.2319 -40.2319 -19.3281 -19.3281 -19.2857 -19.2857 -19.2217 -19.2217 -18.9635 -18.9635 -18.8827 -18.8827 -18.8067 -18.8067 -2.4791 -2.4791 -2.2960 -2.2960 -2.2029 -2.2029 -1.6374 -1.6374 -1.5025 -1.5025 -1.3209 -1.3209 -1.2189 -1.2189 -0.6920 -0.6920 -0.4890 -0.4890 -0.3502 -0.3502 -0.2999 -0.2999 -0.1739 -0.1739 -0.1206 -0.1206 0.2091 0.2091 0.2647 0.2647 0.2755 0.2755 0.3356 0.3356 0.4376 0.4376 7.4055 7.4055 7.4709 7.4709 7.5832 7.5832 10.9333 10.9333 11.4397 11.4397 k = 0.3243 0.1872 0.5343 ( 11912 PWs) bands (ev): -40.2458 -40.2458 -40.2322 -40.2322 -19.3204 -19.3204 -19.2885 -19.2885 -19.2208 -19.2208 -18.9594 -18.9594 -18.8907 -18.8907 -18.8084 -18.8084 -2.5044 -2.5044 -2.3171 -2.3171 -2.2038 -2.2038 -1.6140 -1.6140 -1.4975 -1.4975 -1.3170 -1.3170 -1.2102 -1.2102 -0.7069 -0.7069 -0.4757 -0.4757 -0.3186 -0.3186 -0.2832 -0.2832 -0.1674 -0.1674 -0.1241 -0.1241 0.1985 0.1985 0.2628 0.2628 0.2702 0.2702 0.3261 0.3261 0.4303 0.4303 7.3976 7.3976 7.4668 7.4668 7.5821 7.5821 10.9156 10.9156 11.4181 11.4181 k = 0.3378 0.1951 0.5343 ( 11908 PWs) bands (ev): -40.2454 -40.2454 -40.2325 -40.2325 -19.3134 -19.3134 -19.2911 -19.2911 -19.2191 -19.2191 -18.9558 -18.9558 -18.8986 -18.8986 -18.8100 -18.8100 -2.5281 -2.5281 -2.3368 -2.3368 -2.2040 -2.2040 -1.5917 -1.5917 -1.4921 -1.4921 -1.3112 -1.3112 -1.2019 -1.2019 -0.7237 -0.7237 -0.4681 -0.4681 -0.2926 -0.2926 -0.2662 -0.2662 -0.1684 -0.1684 -0.1125 -0.1125 0.1872 0.1872 0.2614 0.2614 0.2662 0.2662 0.3163 0.3163 0.4231 0.4231 7.3898 7.3898 7.4628 7.4628 7.5812 7.5812 10.8991 10.8991 11.3970 11.3970 k = 0.3514 0.2029 0.5343 ( 11912 PWs) bands (ev): -40.2451 -40.2451 -40.2328 -40.2328 -19.3071 -19.3071 -19.2935 -19.2935 -19.2166 -19.2166 -18.9530 -18.9530 -18.9064 -18.9064 -18.8113 -18.8113 -2.5502 -2.5502 -2.3551 -2.3551 -2.2036 -2.2036 -1.5710 -1.5710 -1.4864 -1.4864 -1.3029 -1.3029 -1.1942 -1.1942 -0.7424 -0.7424 -0.4668 -0.4668 -0.2747 -0.2747 -0.2480 -0.2480 -0.1640 -0.1640 -0.0964 -0.0964 0.1755 0.1755 0.2591 0.2591 0.2646 0.2646 0.3062 0.3062 0.4158 0.4158 7.3823 7.3823 7.4590 7.4590 7.5805 7.5805 10.8840 10.8840 11.3765 11.3765 k = 0.3649 0.2107 0.5343 ( 11920 PWs) bands (ev): -40.2448 -40.2448 -40.2332 -40.2332 -19.3017 -19.3017 -19.2957 -19.2957 -19.2132 -19.2132 -18.9510 -18.9510 -18.9135 -18.9135 -18.8126 -18.8126 -2.5707 -2.5707 -2.3720 -2.3720 -2.2029 -2.2029 -1.5524 -1.5524 -1.4803 -1.4803 -1.2919 -1.2919 -1.1870 -1.1870 -0.7628 -0.7628 -0.4717 -0.4717 -0.2636 -0.2636 -0.2298 -0.2298 -0.1505 -0.1505 -0.0797 -0.0797 0.1635 0.1635 0.2562 0.2562 0.2647 0.2647 0.2961 0.2961 0.4085 0.4085 7.3751 7.3751 7.4554 7.4554 7.5798 7.5798 10.8701 10.8701 11.3571 11.3571 k = 0.3784 0.2185 0.5343 ( 11924 PWs) bands (ev): -40.2445 -40.2445 -40.2335 -40.2335 -19.2978 -19.2978 -19.2970 -19.2970 -19.2089 -19.2089 -18.9505 -18.9505 -18.9196 -18.9196 -18.8137 -18.8137 -2.5893 -2.5893 -2.3873 -2.3873 -2.2018 -2.2018 -1.5362 -1.5362 -1.4741 -1.4741 -1.2778 -1.2778 -1.1804 -1.1804 -0.7849 -0.7849 -0.4818 -0.4818 -0.2557 -0.2557 -0.2128 -0.2128 -0.1305 -0.1305 -0.0634 -0.0634 0.1511 0.1511 0.2533 0.2533 0.2648 0.2648 0.2870 0.2870 0.4012 0.4012 7.3683 7.3683 7.4520 7.4520 7.5792 7.5792 10.8576 10.8576 11.3390 11.3390 k = 0.3919 0.2263 0.5343 ( 11920 PWs) bands (ev): -40.2442 -40.2442 -40.2338 -40.2338 -19.2994 -19.2994 -19.2936 -19.2936 -19.2039 -19.2039 -18.9519 -18.9519 -18.9239 -18.9239 -18.8146 -18.8146 -2.6061 -2.6061 -2.4011 -2.4011 -2.2005 -2.2005 -1.5227 -1.5227 -1.4679 -1.4679 -1.2606 -1.2606 -1.1746 -1.1746 -0.8085 -0.8085 -0.4952 -0.4952 -0.2486 -0.2486 -0.1970 -0.1970 -0.1076 -0.1076 -0.0477 -0.0477 0.1385 0.1385 0.2504 0.2504 0.2623 0.2623 0.2815 0.2815 0.3940 0.3940 7.3620 7.3620 7.4488 7.4488 7.5788 7.5788 10.8464 10.8464 11.3222 11.3222 k = 0.4054 0.2341 0.5343 ( 11912 PWs) bands (ev): -40.2439 -40.2439 -40.2340 -40.2340 -19.3009 -19.3009 -19.2908 -19.2908 -19.1983 -19.1983 -18.9555 -18.9555 -18.9261 -18.9261 -18.8154 -18.8154 -2.6211 -2.6211 -2.4133 -2.4133 -2.1991 -2.1991 -1.5116 -1.5116 -1.4617 -1.4617 -1.2405 -1.2405 -1.1695 -1.1695 -0.8334 -0.8334 -0.5104 -0.5104 -0.2419 -0.2419 -0.1823 -0.1823 -0.0844 -0.0844 -0.0323 -0.0323 0.1258 0.1258 0.2457 0.2457 0.2571 0.2571 0.2812 0.2812 0.3868 0.3868 7.3562 7.3562 7.4460 7.4460 7.5784 7.5784 10.8366 10.8366 11.3071 11.3071 k = 0.4189 0.2419 0.5343 ( 11912 PWs) bands (ev): -40.2436 -40.2436 -40.2343 -40.2343 -19.3022 -19.3022 -19.2888 -19.2888 -19.1925 -19.1925 -18.9606 -18.9606 -18.9268 -18.9268 -18.8161 -18.8161 -2.6342 -2.6342 -2.4240 -2.4240 -2.1976 -2.1976 -1.5030 -1.5030 -1.4558 -1.4558 -1.2179 -1.2179 -1.1651 -1.1651 -0.8595 -0.8595 -0.5259 -0.5259 -0.2356 -0.2356 -0.1687 -0.1687 -0.0624 -0.0624 -0.0171 -0.0171 0.1131 0.1131 0.2369 0.2369 0.2536 0.2536 0.2839 0.2839 0.3799 0.3799 7.3511 7.3511 7.4435 7.4435 7.5780 7.5780 10.8281 10.8281 11.2937 11.2937 k = 0.4324 0.2497 0.5343 ( 11924 PWs) bands (ev): -40.2434 -40.2434 -40.2346 -40.2346 -19.3034 -19.3034 -19.2873 -19.2873 -19.1868 -19.1868 -18.9661 -18.9661 -18.9267 -18.9267 -18.8167 -18.8167 -2.6453 -2.6453 -2.4330 -2.4330 -2.1962 -2.1962 -1.4964 -1.4964 -1.4504 -1.4504 -1.1935 -1.1935 -1.1611 -1.1611 -0.8865 -0.8865 -0.5404 -0.5404 -0.2298 -0.2298 -0.1563 -0.1563 -0.0426 -0.0426 -0.0017 -0.0017 0.1005 0.1005 0.2254 0.2254 0.2523 0.2523 0.2876 0.2876 0.3732 0.3732 7.3467 7.3467 7.4414 7.4414 7.5778 7.5778 10.8208 10.8208 11.2821 11.2821 k = 0.4459 0.2575 0.5343 ( 11930 PWs) bands (ev): -40.2432 -40.2432 -40.2348 -40.2348 -19.3043 -19.3043 -19.2862 -19.2862 -19.1815 -19.1815 -18.9715 -18.9715 -18.9262 -18.9262 -18.8171 -18.8171 -2.6544 -2.6544 -2.4405 -2.4405 -2.1950 -2.1950 -1.4915 -1.4915 -1.4455 -1.4455 -1.1700 -1.1700 -1.1556 -1.1556 -0.9141 -0.9141 -0.5533 -0.5533 -0.2249 -0.2249 -0.1456 -0.1456 -0.0256 -0.0256 0.0138 0.0138 0.0884 0.0884 0.2132 0.2132 0.2517 0.2517 0.2919 0.2919 0.3670 0.3670 7.3430 7.3430 7.4396 7.4396 7.5776 7.5776 10.8149 10.8149 11.2725 11.2725 k = 0.4595 0.2653 0.5343 ( 11934 PWs) bands (ev): -40.2430 -40.2430 -40.2350 -40.2350 -19.3050 -19.3050 -19.2855 -19.2855 -19.1769 -19.1769 -18.9762 -18.9762 -18.9257 -18.9257 -18.8174 -18.8174 -2.6615 -2.6615 -2.4462 -2.4462 -2.1939 -2.1939 -1.4880 -1.4880 -1.4415 -1.4415 -1.1599 -1.1599 -1.1365 -1.1365 -0.9420 -0.9420 -0.5638 -0.5638 -0.2210 -0.2210 -0.1367 -0.1367 -0.0111 -0.0111 0.0281 0.0281 0.0773 0.0773 0.2013 0.2013 0.2515 0.2515 0.2960 0.2960 0.3613 0.3613 7.3400 7.3400 7.4382 7.4382 7.5774 7.5774 10.8104 10.8104 11.2650 11.2650 k = 0.4730 0.2731 0.5343 ( 11934 PWs) bands (ev): -40.2429 -40.2429 -40.2351 -40.2351 -19.3055 -19.3055 -19.2851 -19.2851 -19.1734 -19.1734 -18.9799 -18.9799 -18.9253 -18.9253 -18.8176 -18.8176 -2.6666 -2.6666 -2.4504 -2.4504 -2.1931 -2.1931 -1.4856 -1.4856 -1.4385 -1.4385 -1.1575 -1.1575 -1.1108 -1.1108 -0.9690 -0.9690 -0.5717 -0.5717 -0.2182 -0.2182 -0.1300 -0.1300 0.0011 0.0011 0.0386 0.0386 0.0689 0.0689 0.1908 0.1908 0.2515 0.2515 0.2997 0.2997 0.3567 0.3567 7.3379 7.3379 7.4372 7.4372 7.5773 7.5773 10.8071 10.8071 11.2595 11.2595 k = 0.4865 0.2809 0.5343 ( 11938 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3058 -19.3058 -19.2848 -19.2848 -19.1711 -19.1711 -18.9822 -18.9822 -18.9251 -18.9251 -18.8178 -18.8178 -2.6697 -2.6697 -2.4529 -2.4529 -2.1927 -2.1927 -1.4843 -1.4843 -1.4366 -1.4366 -1.1564 -1.1564 -1.0877 -1.0877 -0.9925 -0.9925 -0.5765 -0.5765 -0.2165 -0.2165 -0.1259 -0.1259 0.0108 0.0108 0.0411 0.0411 0.0662 0.0662 0.1833 0.1833 0.2515 0.2515 0.3023 0.3023 0.3535 0.3535 7.3366 7.3366 7.4366 7.4366 7.5772 7.5772 10.8051 10.8051 11.2563 11.2563 k = 0.5000 0.2887 0.5343 ( 11940 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3059 -19.3059 -19.2847 -19.2847 -19.1703 -19.1703 -18.9830 -18.9830 -18.9250 -18.9250 -18.8178 -18.8178 -2.6707 -2.6707 -2.4537 -2.4537 -2.1925 -2.1925 -1.4839 -1.4839 -1.4360 -1.4360 -1.1561 -1.1561 -1.0767 -1.0767 -1.0037 -1.0037 -0.5781 -0.5781 -0.2159 -0.2159 -0.1245 -0.1245 0.0152 0.0152 0.0397 0.0397 0.0668 0.0668 0.1805 0.1805 0.2516 0.2516 0.3033 0.3033 0.3524 0.3524 7.3362 7.3362 7.4364 7.4364 7.5772 7.5772 10.8045 10.8045 11.2552 11.2552 k = 0.5000 0.2887 0.5343 ( 11940 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3059 -19.3059 -19.2847 -19.2847 -19.1703 -19.1703 -18.9830 -18.9830 -18.9250 -18.9250 -18.8178 -18.8178 -2.6707 -2.6707 -2.4537 -2.4537 -2.1925 -2.1925 -1.4839 -1.4839 -1.4360 -1.4360 -1.1561 -1.1561 -1.0767 -1.0767 -1.0037 -1.0037 -0.5781 -0.5781 -0.2159 -0.2159 -0.1245 -0.1245 0.0152 0.0152 0.0397 0.0397 0.0668 0.0668 0.1805 0.1805 0.2516 0.2516 0.3033 0.3033 0.3524 0.3524 7.3362 7.3362 7.4364 7.4364 7.5772 7.5772 10.8045 10.8045 11.2552 11.2552 k = 0.4924 0.3018 0.5343 ( 11920 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3059 -19.3059 -19.2847 -19.2847 -19.1704 -19.1704 -18.9828 -18.9828 -18.9248 -18.9248 -18.8181 -18.8181 -2.6705 -2.6705 -2.4534 -2.4534 -2.1925 -2.1925 -1.4931 -1.4931 -1.4274 -1.4274 -1.1625 -1.1625 -1.0759 -1.0759 -0.9984 -0.9984 -0.5773 -0.5773 -0.2154 -0.2154 -0.1247 -0.1247 0.0150 0.0150 0.0400 0.0400 0.0669 0.0669 0.1805 0.1805 0.2513 0.2513 0.3033 0.3033 0.3521 0.3521 7.3364 7.3364 7.4362 7.4362 7.5768 7.5768 10.8046 10.8046 11.2540 11.2540 k = 0.4848 0.3149 0.5343 ( 11924 PWs) bands (ev): -40.2427 -40.2427 -40.2352 -40.2352 -19.3058 -19.3058 -19.2845 -19.2845 -19.1707 -19.1707 -18.9824 -18.9824 -18.9245 -18.9245 -18.8189 -18.8189 -2.6700 -2.6700 -2.4525 -2.4525 -2.1925 -2.1925 -1.5121 -1.5121 -1.4104 -1.4104 -1.1796 -1.1796 -1.0734 -1.0734 -0.9849 -0.9849 -0.5748 -0.5748 -0.2139 -0.2139 -0.1255 -0.1255 0.0146 0.0146 0.0408 0.0408 0.0672 0.0672 0.1804 0.1804 0.2505 0.2505 0.3033 0.3033 0.3513 0.3513 7.3369 7.3369 7.4357 7.4357 7.5758 7.5758 10.8050 10.8050 11.2506 11.2506 k = 0.4773 0.3280 0.5343 ( 11918 PWs) bands (ev): -40.2427 -40.2427 -40.2353 -40.2353 -19.3056 -19.3056 -19.2841 -19.2841 -19.1712 -19.1712 -18.9817 -18.9817 -18.9239 -18.9239 -18.8202 -18.8202 -2.6690 -2.6690 -2.4511 -2.4511 -2.1924 -2.1924 -1.5338 -1.5338 -1.3919 -1.3919 -1.2037 -1.2037 -1.0688 -1.0688 -0.9671 -0.9671 -0.5709 -0.5709 -0.2114 -0.2114 -0.1267 -0.1267 0.0139 0.0139 0.0421 0.0421 0.0677 0.0677 0.1804 0.1804 0.2492 0.2492 0.3033 0.3033 0.3501 0.3501 7.3377 7.3377 7.4349 7.4349 7.5741 7.5741 10.8056 10.8056 11.2449 11.2449 k = 0.4697 0.3412 0.5343 ( 11920 PWs) bands (ev): -40.2426 -40.2426 -40.2353 -40.2353 -19.3054 -19.3054 -19.2837 -19.2837 -19.1718 -19.1718 -18.9807 -18.9807 -18.9230 -18.9230 -18.8220 -18.8220 -2.6677 -2.6677 -2.4495 -2.4495 -2.1919 -2.1919 -1.5565 -1.5565 -1.3737 -1.3737 -1.2320 -1.2320 -1.0624 -1.0624 -0.9479 -0.9479 -0.5654 -0.5654 -0.2081 -0.2081 -0.1283 -0.1283 0.0130 0.0130 0.0438 0.0438 0.0687 0.0687 0.1803 0.1803 0.2474 0.2474 0.3033 0.3033 0.3483 0.3483 7.3388 7.3388 7.4338 7.4338 7.5717 7.5717 10.8065 10.8065 11.2371 11.2371 k = 0.4621 0.3543 0.5343 ( 11908 PWs) bands (ev): -40.2426 -40.2426 -40.2354 -40.2354 -19.3052 -19.3052 -19.2831 -19.2831 -19.1726 -19.1726 -18.9795 -18.9795 -18.9220 -18.9220 -18.8243 -18.8243 -2.6660 -2.6660 -2.4478 -2.4478 -2.1907 -2.1907 -1.5795 -1.5795 -1.3564 -1.3564 -1.2628 -1.2628 -1.0542 -1.0542 -0.9287 -0.9287 -0.5587 -0.5587 -0.2040 -0.2040 -0.1302 -0.1302 0.0117 0.0117 0.0459 0.0459 0.0701 0.0701 0.1803 0.1803 0.2453 0.2453 0.3031 0.3031 0.3460 0.3460 7.3403 7.3403 7.4325 7.4325 7.5687 7.5687 10.8078 10.8078 11.2274 11.2274 k = 0.4545 0.3674 0.5343 ( 11918 PWs) bands (ev): -40.2425 -40.2425 -40.2355 -40.2355 -19.3049 -19.3049 -19.2825 -19.2825 -19.1734 -19.1734 -18.9779 -18.9779 -18.9208 -18.9208 -18.8271 -18.8271 -2.6639 -2.6639 -2.4466 -2.4466 -2.1884 -2.1884 -1.6023 -1.6023 -1.3407 -1.3407 -1.2949 -1.2949 -1.0443 -1.0443 -0.9104 -0.9104 -0.5508 -0.5508 -0.1993 -0.1993 -0.1321 -0.1321 0.0100 0.0100 0.0483 0.0483 0.0722 0.0722 0.1802 0.1802 0.2428 0.2428 0.3028 0.3028 0.3433 0.3433 7.3420 7.3420 7.4309 7.4309 7.5651 7.5651 10.8094 10.8094 11.2158 11.2158 k = 0.4470 0.3805 0.5343 ( 11926 PWs) bands (ev): -40.2424 -40.2424 -40.2356 -40.2356 -19.3045 -19.3045 -19.2819 -19.2819 -19.1743 -19.1743 -18.9762 -18.9762 -18.9194 -18.9194 -18.8303 -18.8303 -2.6614 -2.6614 -2.4460 -2.4460 -2.1845 -2.1845 -1.6248 -1.6248 -1.3352 -1.3352 -1.3190 -1.3190 -1.0331 -1.0331 -0.8935 -0.8935 -0.5420 -0.5420 -0.1943 -0.1943 -0.1339 -0.1339 0.0079 0.0079 0.0510 0.0510 0.0751 0.0751 0.1802 0.1802 0.2400 0.2400 0.3021 0.3021 0.3401 0.3401 7.3441 7.3441 7.4290 7.4290 7.5611 7.5611 10.8114 10.8114 11.2025 11.2025 k = 0.4394 0.3936 0.5343 ( 11920 PWs) bands (ev): -40.2422 -40.2422 -40.2357 -40.2357 -19.3040 -19.3040 -19.2813 -19.2813 -19.1752 -19.1752 -18.9742 -18.9742 -18.9178 -18.9178 -18.8340 -18.8340 -2.6585 -2.6585 -2.4465 -2.4465 -2.1786 -2.1786 -1.6468 -1.6468 -1.3657 -1.3657 -1.3091 -1.3091 -1.0207 -1.0207 -0.8782 -0.8782 -0.5325 -0.5325 -0.1892 -0.1892 -0.1351 -0.1351 0.0053 0.0053 0.0540 0.0540 0.0787 0.0787 0.1802 0.1802 0.2369 0.2369 0.3012 0.3012 0.3364 0.3364 7.3463 7.3463 7.4269 7.4269 7.5566 7.5566 10.8138 10.8138 11.1877 11.1877 k = 0.4318 0.4068 0.5343 ( 11924 PWs) bands (ev): -40.2421 -40.2421 -40.2359 -40.2359 -19.3035 -19.3035 -19.2807 -19.2807 -19.1760 -19.1760 -18.9720 -18.9720 -18.9162 -18.9162 -18.8381 -18.8381 -2.6552 -2.6552 -2.4485 -2.4485 -2.1703 -2.1703 -1.6681 -1.6681 -1.4004 -1.4004 -1.2967 -1.2967 -1.0073 -1.0073 -0.8647 -0.8647 -0.5227 -0.5227 -0.1846 -0.1846 -0.1353 -0.1353 0.0022 0.0022 0.0573 0.0573 0.0832 0.0832 0.1802 0.1802 0.2337 0.2337 0.2998 0.2998 0.3324 0.3324 7.3488 7.3488 7.4247 7.4247 7.5517 7.5517 10.8168 10.8168 11.1717 11.1717 k = 0.4242 0.4199 0.5343 ( 11920 PWs) bands (ev): -40.2419 -40.2419 -40.2360 -40.2360 -19.3030 -19.3030 -19.2802 -19.2802 -19.1767 -19.1767 -18.9695 -18.9695 -18.9145 -18.9145 -18.8425 -18.8425 -2.6515 -2.6515 -2.4520 -2.4520 -2.1594 -2.1594 -1.6887 -1.6887 -1.4357 -1.4357 -1.2852 -1.2852 -0.9932 -0.9932 -0.8530 -0.8530 -0.5128 -0.5128 -0.1809 -0.1809 -0.1340 -0.1340 -0.0014 -0.0014 0.0611 0.0611 0.0884 0.0884 0.1802 0.1802 0.2303 0.2303 0.2980 0.2980 0.3279 0.3279 7.3514 7.3514 7.4223 7.4223 7.5466 7.5466 10.8204 10.8204 11.1546 11.1546 k = 0.4167 0.4330 0.5343 ( 11940 PWs) bands (ev): -40.2418 -40.2418 -40.2362 -40.2362 -19.3023 -19.3023 -19.2798 -19.2798 -19.1773 -19.1773 -18.9669 -18.9669 -18.9128 -18.9128 -18.8473 -18.8473 -2.6473 -2.6473 -2.4572 -2.4572 -2.1455 -2.1455 -1.7083 -1.7083 -1.4711 -1.4711 -1.2747 -1.2747 -0.9785 -0.9785 -0.8432 -0.8432 -0.5032 -0.5032 -0.1784 -0.1784 -0.1310 -0.1310 -0.0054 -0.0054 0.0653 0.0653 0.0944 0.0944 0.1804 0.1804 0.2267 0.2267 0.2957 0.2957 0.3232 0.3232 7.3542 7.3542 7.4198 7.4198 7.5413 7.5413 10.8247 10.8247 11.1366 11.1366 k = 0.4091 0.4461 0.5343 ( 11940 PWs) bands (ev): -40.2416 -40.2416 -40.2364 -40.2364 -19.3016 -19.3016 -19.2796 -19.2796 -19.1777 -19.1777 -18.9641 -18.9641 -18.9111 -18.9111 -18.8523 -18.8523 -2.6427 -2.6427 -2.4640 -2.4640 -2.1288 -2.1288 -1.7270 -1.7270 -1.5066 -1.5066 -1.2652 -1.2652 -0.9635 -0.9635 -0.8352 -0.8352 -0.4942 -0.4942 -0.1768 -0.1768 -0.1263 -0.1263 -0.0098 -0.0098 0.0698 0.0698 0.1011 0.1011 0.1806 0.1806 0.2231 0.2231 0.2929 0.2929 0.3181 0.3181 7.3570 7.3570 7.4172 7.4172 7.5360 7.5360 10.8296 10.8296 11.1179 11.1179 k = 0.4015 0.4593 0.5343 ( 11938 PWs) bands (ev): -40.2414 -40.2414 -40.2366 -40.2366 -19.3007 -19.3007 -19.2796 -19.2796 -19.1778 -19.1778 -18.9612 -18.9612 -18.9094 -18.9094 -18.8576 -18.8576 -2.6377 -2.6377 -2.4723 -2.4723 -2.1093 -2.1093 -1.7446 -1.7446 -1.5418 -1.5418 -1.2568 -1.2568 -0.9484 -0.9484 -0.8290 -0.8290 -0.4862 -0.4862 -0.1759 -0.1759 -0.1204 -0.1204 -0.0145 -0.0145 0.0747 0.0747 0.1086 0.1086 0.1809 0.1809 0.2195 0.2195 0.2896 0.2896 0.3129 0.3129 7.3599 7.3599 7.4147 7.4147 7.5306 7.5306 10.8354 10.8354 11.0987 11.0987 k = 0.3939 0.4724 0.5343 ( 11944 PWs) bands (ev): -40.2412 -40.2412 -40.2368 -40.2368 -19.2998 -19.2998 -19.2798 -19.2798 -19.1778 -19.1778 -18.9582 -18.9582 -18.9078 -18.9078 -18.8629 -18.8629 -2.6323 -2.6323 -2.4818 -2.4818 -2.0870 -2.0870 -1.7612 -1.7612 -1.5768 -1.5768 -1.2493 -1.2493 -0.9333 -0.9333 -0.8245 -0.8245 -0.4794 -0.4794 -0.1750 -0.1750 -0.1140 -0.1140 -0.0195 -0.0195 0.0798 0.0798 0.1166 0.1166 0.1813 0.1813 0.2158 0.2158 0.2857 0.2857 0.3074 0.3074 7.3628 7.3628 7.4121 7.4121 7.5255 7.5255 10.8420 10.8420 11.0793 11.0793 k = 0.3864 0.4855 0.5343 ( 11956 PWs) bands (ev): -40.2409 -40.2409 -40.2370 -40.2370 -19.2988 -19.2988 -19.2803 -19.2803 -19.1775 -19.1775 -18.9551 -18.9551 -18.9063 -18.9063 -18.8683 -18.8683 -2.6263 -2.6263 -2.4923 -2.4923 -2.0623 -2.0623 -1.7766 -1.7766 -1.6114 -1.6114 -1.2429 -1.2429 -0.9185 -0.9185 -0.8215 -0.8215 -0.4740 -0.4740 -0.1738 -0.1738 -0.1073 -0.1073 -0.0246 -0.0246 0.0850 0.0850 0.1251 0.1251 0.1819 0.1819 0.2121 0.2121 0.2814 0.2814 0.3019 0.3019 7.3656 7.3656 7.4096 7.4096 7.5206 7.5206 10.8494 10.8494 11.0597 11.0597 k = 0.3788 0.4986 0.5343 ( 11952 PWs) bands (ev): -40.2407 -40.2407 -40.2373 -40.2373 -19.2977 -19.2977 -19.2810 -19.2810 -19.1769 -19.1769 -18.9520 -18.9520 -18.9050 -18.9050 -18.8736 -18.8736 -2.6199 -2.6199 -2.5034 -2.5034 -2.0354 -2.0354 -1.7909 -1.7909 -1.6455 -1.6455 -1.2373 -1.2373 -0.9043 -0.9043 -0.8200 -0.8200 -0.4700 -0.4700 -0.1722 -0.1722 -0.1008 -0.1008 -0.0296 -0.0296 0.0903 0.0903 0.1340 0.1340 0.1825 0.1825 0.2086 0.2086 0.2767 0.2767 0.2963 0.2963 7.3682 7.3682 7.4071 7.4071 7.5161 7.5161 10.8579 10.8579 11.0401 11.0401 k = 0.3712 0.5117 0.5343 ( 11946 PWs) bands (ev): -40.2404 -40.2404 -40.2375 -40.2375 -19.2966 -19.2966 -19.2819 -19.2819 -19.1763 -19.1763 -18.9490 -18.9490 -18.9039 -18.9039 -18.8785 -18.8785 -2.6131 -2.6131 -2.5149 -2.5149 -2.0064 -2.0064 -1.8041 -1.8041 -1.6789 -1.6789 -1.2327 -1.2327 -0.8907 -0.8907 -0.8199 -0.8199 -0.4675 -0.4675 -0.1700 -0.1700 -0.0949 -0.0949 -0.0345 -0.0345 0.0955 0.0955 0.1429 0.1429 0.1831 0.1831 0.2053 0.2053 0.2718 0.2718 0.2908 0.2908 7.3706 7.3706 7.4049 7.4049 7.5121 7.5121 10.8673 10.8673 11.0208 11.0208 k = 0.3636 0.5249 0.5343 ( 11940 PWs) bands (ev): -40.2402 -40.2402 -40.2378 -40.2378 -19.2953 -19.2953 -19.2831 -19.2831 -19.1755 -19.1755 -18.9462 -18.9462 -18.9032 -18.9032 -18.8829 -18.8829 -2.6057 -2.6057 -2.5266 -2.5266 -1.9756 -1.9756 -1.8161 -1.8161 -1.7117 -1.7117 -1.2291 -1.2291 -0.8782 -0.8782 -0.8209 -0.8209 -0.4662 -0.4662 -0.1675 -0.1675 -0.0897 -0.0897 -0.0389 -0.0389 0.1005 0.1005 0.1515 0.1515 0.1836 0.1836 0.2023 0.2023 0.2669 0.2669 0.2854 0.2854 7.3728 7.3728 7.4028 7.4028 7.5088 7.5088 10.8777 10.8777 11.0019 11.0019 k = 0.3561 0.5380 0.5343 ( 11944 PWs) bands (ev): -40.2399 -40.2399 -40.2381 -40.2381 -19.2939 -19.2939 -19.2844 -19.2844 -19.1748 -19.1748 -18.9437 -18.9437 -18.9029 -18.9029 -18.8865 -18.8865 -2.5979 -2.5979 -2.5381 -2.5381 -1.9434 -1.9434 -1.8269 -1.8269 -1.7437 -1.7437 -1.2263 -1.2263 -0.8670 -0.8670 -0.8230 -0.8230 -0.4659 -0.4659 -0.1649 -0.1649 -0.0856 -0.0856 -0.0426 -0.0426 0.1050 0.1050 0.1593 0.1593 0.1839 0.1839 0.1999 0.1999 0.2626 0.2626 0.2805 0.2805 7.3745 7.3745 7.4011 7.4011 7.5061 7.5061 10.8892 10.8892 10.9835 10.9835 k = 0.3485 0.5511 0.5343 ( 11948 PWs) bands (ev): -40.2396 -40.2396 -40.2384 -40.2384 -19.2924 -19.2924 -19.2859 -19.2859 -19.1741 -19.1741 -18.9417 -18.9417 -18.9032 -18.9032 -18.8889 -18.8889 -2.5896 -2.5896 -2.5493 -2.5493 -1.9100 -1.9100 -1.8364 -1.8364 -1.7748 -1.7748 -1.2244 -1.2244 -0.8576 -0.8576 -0.8257 -0.8257 -0.4662 -0.4662 -0.1625 -0.1625 -0.0827 -0.0827 -0.0453 -0.0453 0.1089 0.1089 0.1654 0.1654 0.1840 0.1840 0.1983 0.1983 0.2591 0.2591 0.2762 0.2762 7.3758 7.3758 7.3998 7.3998 7.5041 7.5041 10.9017 10.9017 10.9659 10.9659 k = 0.3409 0.5642 0.5343 ( 11938 PWs) bands (ev): -40.2393 -40.2393 -40.2387 -40.2387 -19.2909 -19.2909 -19.2875 -19.2875 -19.1736 -19.1736 -18.9404 -18.9404 -18.9036 -18.9036 -18.8902 -18.8902 -2.5811 -2.5811 -2.5596 -2.5596 -1.8766 -1.8766 -1.8440 -1.8440 -1.8047 -1.8047 -1.2233 -1.2233 -0.8509 -0.8509 -0.8283 -0.8283 -0.4666 -0.4666 -0.1608 -0.1608 -0.0812 -0.0812 -0.0467 -0.0467 0.1116 0.1116 0.1692 0.1692 0.1838 0.1838 0.1975 0.1975 0.2572 0.2572 0.2730 0.2730 7.3766 7.3766 7.3989 7.3989 7.5030 7.5030 10.9149 10.9149 10.9496 10.9496 k = 0.3333 0.5774 0.5343 ( 11934 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2893 -19.2893 -19.2891 -19.2891 -19.1734 -19.1734 -18.9399 -18.9399 -18.9039 -18.9039 -18.8906 -18.8906 -2.5750 -2.5750 -2.5664 -2.5664 -1.8571 -1.8571 -1.8411 -1.8411 -1.8284 -1.8284 -1.2229 -1.2229 -0.8483 -0.8483 -0.8295 -0.8295 -0.4669 -0.4669 -0.1602 -0.1602 -0.0809 -0.0809 -0.0471 -0.0471 0.1127 0.1127 0.1704 0.1704 0.1838 0.1838 0.1973 0.1973 0.2567 0.2567 0.2717 0.2717 7.3768 7.3768 7.3986 7.3986 7.5026 7.5026 10.9242 10.9242 10.9393 10.9393 k = 0.3333 0.5774 0.5343 ( 11934 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2893 -19.2893 -19.2891 -19.2891 -19.1734 -19.1734 -18.9399 -18.9399 -18.9039 -18.9039 -18.8906 -18.8906 -2.5750 -2.5750 -2.5664 -2.5664 -1.8571 -1.8571 -1.8411 -1.8411 -1.8284 -1.8284 -1.2229 -1.2229 -0.8483 -0.8483 -0.8295 -0.8295 -0.4669 -0.4669 -0.1602 -0.1602 -0.0809 -0.0809 -0.0471 -0.0471 0.1127 0.1127 0.1704 0.1704 0.1838 0.1838 0.1973 0.1973 0.2567 0.2567 0.2717 0.2717 7.3768 7.3768 7.3986 7.3986 7.5026 7.5026 10.9242 10.9242 10.9393 10.9393 k = 0.3256 0.5639 0.5343 ( 11934 PWs) bands (ev): -40.2393 -40.2393 -40.2387 -40.2387 -19.2910 -19.2910 -19.2874 -19.2874 -19.1736 -19.1736 -18.9403 -18.9403 -18.9036 -18.9036 -18.8903 -18.8903 -2.5811 -2.5811 -2.5595 -2.5595 -1.8654 -1.8654 -1.8600 -1.8600 -1.7999 -1.7999 -1.2233 -1.2233 -0.8507 -0.8507 -0.8286 -0.8286 -0.4665 -0.4665 -0.1609 -0.1609 -0.0811 -0.0811 -0.0469 -0.0469 0.1113 0.1113 0.1695 0.1695 0.1838 0.1838 0.1975 0.1975 0.2568 0.2568 0.2734 0.2734 7.3766 7.3766 7.3989 7.3989 7.5030 7.5030 10.9145 10.9145 10.9501 10.9501 k = 0.3178 0.5505 0.5343 ( 11954 PWs) bands (ev): -40.2396 -40.2396 -40.2383 -40.2383 -19.2928 -19.2928 -19.2855 -19.2855 -19.1744 -19.1744 -18.9413 -18.9413 -18.9028 -18.9028 -18.8894 -18.8894 -2.5892 -2.5892 -2.5491 -2.5491 -1.8922 -1.8922 -1.8658 -1.8658 -1.7638 -1.7638 -1.2241 -1.2241 -0.8563 -0.8563 -0.8273 -0.8273 -0.4653 -0.4653 -0.1634 -0.1634 -0.0814 -0.0814 -0.0465 -0.0465 0.1068 0.1068 0.1677 0.1677 0.1837 0.1837 0.1981 0.1981 0.2569 0.2569 0.2786 0.2786 7.3760 7.3760 7.3998 7.3998 7.5041 7.5041 10.9009 10.9009 10.9673 10.9673 k = 0.3101 0.5371 0.5343 ( 11962 PWs) bands (ev): -40.2400 -40.2400 -40.2380 -40.2380 -19.2945 -19.2945 -19.2835 -19.2835 -19.1759 -19.1759 -18.9426 -18.9426 -18.9018 -18.9018 -18.8880 -18.8880 -2.5964 -2.5964 -2.5378 -2.5378 -1.9187 -1.9187 -1.8700 -1.8700 -1.7277 -1.7277 -1.2253 -1.2253 -0.8635 -0.8635 -0.8272 -0.8272 -0.4630 -0.4630 -0.1674 -0.1674 -0.0817 -0.0817 -0.0465 -0.0465 0.0986 0.0986 0.1655 0.1655 0.1837 0.1837 0.1995 0.1995 0.2572 0.2572 0.2862 0.2862 7.3754 7.3754 7.4011 7.4011 7.5058 7.5058 10.8881 10.8881 10.9862 10.9862 k = 0.3023 0.5236 0.5343 ( 11950 PWs) bands (ev): -40.2403 -40.2403 -40.2376 -40.2376 -19.2963 -19.2963 -19.2814 -19.2814 -19.1781 -19.1781 -18.9437 -18.9437 -18.9009 -18.9009 -18.8858 -18.8858 -2.6024 -2.6024 -2.5258 -2.5258 -1.9440 -1.9440 -1.8732 -1.8732 -1.6926 -1.6926 -1.2266 -1.2266 -0.8718 -0.8718 -0.8285 -0.8285 -0.4598 -0.4598 -0.1729 -0.1729 -0.0819 -0.0819 -0.0470 -0.0470 0.0870 0.0870 0.1635 0.1635 0.1835 0.1835 0.2021 0.2021 0.2580 0.2580 0.2954 0.2954 7.3747 7.3747 7.4029 7.4029 7.5082 7.5082 10.8766 10.8766 11.0066 11.0066 k = 0.2946 0.5102 0.5343 ( 11938 PWs) bands (ev): -40.2407 -40.2407 -40.2373 -40.2373 -19.2979 -19.2979 -19.2791 -19.2791 -19.1812 -19.1812 -18.9445 -18.9445 -18.9005 -18.9005 -18.8830 -18.8830 -2.6070 -2.6070 -2.5132 -2.5132 -1.9681 -1.9681 -1.8753 -1.8753 -1.6591 -1.6591 -1.2275 -1.2275 -0.8808 -0.8808 -0.8310 -0.8310 -0.4556 -0.4556 -0.1795 -0.1795 -0.0825 -0.0825 -0.0482 -0.0482 0.0724 0.0724 0.1618 0.1618 0.1831 0.1831 0.2059 0.2059 0.2592 0.2592 0.3053 0.3053 7.3742 7.3742 7.4050 7.4050 7.5109 7.5109 10.8664 10.8664 11.0282 11.0282 k = 0.2868 0.4968 0.5343 ( 11942 PWs) bands (ev): -40.2410 -40.2410 -40.2369 -40.2369 -19.2995 -19.2995 -19.2768 -19.2768 -19.1851 -19.1851 -18.9448 -18.9448 -18.9005 -18.9005 -18.8796 -18.8796 -2.6101 -2.6101 -2.5000 -2.5000 -1.9909 -1.9909 -1.8764 -1.8764 -1.6282 -1.6282 -1.2278 -1.2278 -0.8905 -0.8905 -0.8345 -0.8345 -0.4509 -0.4509 -0.1869 -0.1869 -0.0837 -0.0837 -0.0501 -0.0501 0.0551 0.0551 0.1607 0.1607 0.1827 0.1827 0.2109 0.2109 0.2608 0.2608 0.3156 0.3156 7.3739 7.3739 7.4075 7.4075 7.5141 7.5141 10.8578 10.8578 11.0510 11.0510 k = 0.2791 0.4834 0.5343 ( 11938 PWs) bands (ev): -40.2414 -40.2414 -40.2366 -40.2366 -19.3009 -19.3009 -19.2745 -19.2745 -19.1898 -19.1898 -18.9446 -18.9446 -18.9008 -18.9008 -18.8758 -18.8758 -2.6117 -2.6117 -2.4862 -2.4862 -2.0123 -2.0123 -1.8764 -1.8764 -1.6008 -1.6008 -1.2269 -1.2269 -0.9007 -0.9007 -0.8383 -0.8383 -0.4460 -0.4460 -0.1946 -0.1946 -0.0861 -0.0861 -0.0527 -0.0527 0.0357 0.0357 0.1602 0.1602 0.1824 0.1824 0.2167 0.2167 0.2627 0.2627 0.3261 0.3261 7.3740 7.3740 7.4104 7.4104 7.5175 7.5175 10.8508 10.8508 11.0750 11.0750 k = 0.2713 0.4699 0.5343 ( 11942 PWs) bands (ev): -40.2418 -40.2418 -40.2362 -40.2362 -19.3023 -19.3023 -19.2720 -19.2720 -19.1953 -19.1953 -18.9439 -18.9439 -18.9013 -18.9013 -18.8717 -18.8717 -2.6116 -2.6116 -2.4717 -2.4717 -2.0323 -2.0323 -1.8755 -1.8755 -1.5778 -1.5778 -1.2245 -1.2245 -0.9114 -0.9114 -0.8418 -0.8418 -0.4414 -0.4414 -0.2022 -0.2022 -0.0900 -0.0900 -0.0560 -0.0560 0.0147 0.0147 0.1603 0.1603 0.1825 0.1825 0.2232 0.2232 0.2647 0.2647 0.3365 0.3365 7.3745 7.3745 7.4136 7.4136 7.5212 7.5212 10.8455 10.8455 11.1001 11.1001 k = 0.2636 0.4565 0.5343 ( 11930 PWs) bands (ev): -40.2421 -40.2421 -40.2358 -40.2358 -19.3035 -19.3035 -19.2694 -19.2694 -19.2016 -19.2016 -18.9427 -18.9427 -18.9019 -18.9019 -18.8674 -18.8674 -2.6098 -2.6098 -2.4567 -2.4567 -2.0508 -2.0508 -1.8735 -1.8735 -1.5601 -1.5601 -1.2204 -1.2204 -0.9226 -0.9226 -0.8442 -0.8442 -0.4376 -0.4376 -0.2092 -0.2092 -0.0959 -0.0959 -0.0602 -0.0602 -0.0074 -0.0074 0.1612 0.1612 0.1832 0.1832 0.2301 0.2301 0.2668 0.2668 0.3468 0.3468 7.3755 7.3755 7.4171 7.4171 7.5251 7.5251 10.8419 10.8419 11.1263 11.1263 k = 0.2558 0.4431 0.5343 ( 11918 PWs) bands (ev): -40.2425 -40.2425 -40.2355 -40.2355 -19.3047 -19.3047 -19.2668 -19.2668 -19.2085 -19.2085 -18.9414 -18.9414 -18.9023 -18.9023 -18.8630 -18.8630 -2.6062 -2.6062 -2.4411 -2.4411 -2.0678 -2.0678 -1.8707 -1.8707 -1.5482 -1.5482 -1.2147 -1.2147 -0.9341 -0.9341 -0.8448 -0.8448 -0.4353 -0.4353 -0.2151 -0.2151 -0.1038 -0.1038 -0.0667 -0.0667 -0.0291 -0.0291 0.1627 0.1627 0.1845 0.1845 0.2374 0.2374 0.2690 0.2690 0.3569 0.3569 7.3769 7.3769 7.4210 7.4210 7.5290 7.5290 10.8401 10.8401 11.1535 11.1535 k = 0.2481 0.4297 0.5343 ( 11922 PWs) bands (ev): -40.2429 -40.2429 -40.2351 -40.2351 -19.3057 -19.3057 -19.2641 -19.2641 -19.2159 -19.2159 -18.9402 -18.9402 -18.9023 -18.9023 -18.8586 -18.8586 -2.6009 -2.6009 -2.4249 -2.4249 -2.0833 -2.0833 -1.8670 -1.8670 -1.5420 -1.5420 -1.2080 -1.2080 -0.9460 -0.9460 -0.8428 -0.8428 -0.4350 -0.4350 -0.2194 -0.2194 -0.1140 -0.1140 -0.0788 -0.0788 -0.0467 -0.0467 0.1650 0.1650 0.1867 0.1867 0.2449 0.2449 0.2712 0.2712 0.3667 0.3667 7.3789 7.3789 7.4251 7.4251 7.5330 7.5330 10.8402 10.8402 11.1815 11.1815 k = 0.2403 0.4162 0.5343 ( 11914 PWs) bands (ev): -40.2432 -40.2432 -40.2347 -40.2347 -19.3068 -19.3068 -19.2614 -19.2614 -19.2236 -19.2236 -18.9394 -18.9394 -18.9018 -18.9018 -18.8541 -18.8541 -2.5937 -2.5937 -2.4082 -2.4082 -2.0972 -2.0972 -1.8624 -1.8624 -1.5413 -1.5413 -1.2014 -1.2014 -0.9583 -0.9583 -0.8376 -0.8376 -0.4373 -0.4373 -0.2218 -0.2218 -0.1268 -0.1268 -0.0986 -0.0986 -0.0576 -0.0576 0.1680 0.1680 0.1895 0.1895 0.2526 0.2526 0.2735 0.2735 0.3763 0.3763 7.3814 7.3814 7.4294 7.4294 7.5371 7.5371 10.8421 10.8421 11.2104 11.2104 k = 0.2326 0.4028 0.5343 ( 11920 PWs) bands (ev): -40.2436 -40.2436 -40.2344 -40.2344 -19.3079 -19.3079 -19.2586 -19.2586 -19.2315 -19.2315 -18.9392 -18.9392 -18.9003 -18.9003 -18.8496 -18.8496 -2.5846 -2.5846 -2.3910 -2.3910 -2.1095 -2.1095 -1.8570 -1.8570 -1.5453 -1.5453 -1.1960 -1.1960 -0.9709 -0.9709 -0.8289 -0.8289 -0.4423 -0.4423 -0.2222 -0.2222 -0.1439 -0.1439 -0.1210 -0.1210 -0.0650 -0.0650 0.1717 0.1717 0.1931 0.1931 0.2604 0.2604 0.2760 0.2760 0.3857 0.3857 7.3845 7.3845 7.4340 7.4340 7.5411 7.5411 10.8458 10.8458 11.2401 11.2401 k = 0.2248 0.3894 0.5343 ( 11924 PWs) bands (ev): -40.2440 -40.2440 -40.2340 -40.2340 -19.3091 -19.3091 -19.2557 -19.2557 -19.2394 -19.2394 -18.9400 -18.9400 -18.8979 -18.8979 -18.8451 -18.8451 -2.5737 -2.5737 -2.3734 -2.3734 -2.1201 -2.1201 -1.8510 -1.8510 -1.5531 -1.5531 -1.1925 -1.1925 -0.9838 -0.9838 -0.8167 -0.8167 -0.4502 -0.4502 -0.2209 -0.2209 -0.1673 -0.1673 -0.1407 -0.1407 -0.0715 -0.0715 0.1761 0.1761 0.1973 0.1973 0.2682 0.2682 0.2787 0.2787 0.3947 0.3947 7.3880 7.3880 7.4388 7.4388 7.5451 7.5451 10.8515 10.8515 11.2703 11.2703 k = 0.2171 0.3759 0.5343 ( 11912 PWs) bands (ev): -40.2443 -40.2443 -40.2336 -40.2336 -19.3107 -19.3107 -19.2529 -19.2529 -19.2470 -19.2470 -18.9417 -18.9417 -18.8945 -18.8945 -18.8407 -18.8407 -2.5609 -2.5609 -2.3554 -2.3554 -2.1288 -2.1288 -1.8443 -1.8443 -1.5640 -1.5640 -1.1914 -1.1914 -0.9970 -0.9970 -0.8014 -0.8014 -0.4608 -0.4608 -0.2198 -0.2198 -0.1945 -0.1945 -0.1576 -0.1576 -0.0779 -0.0779 0.1812 0.1812 0.2022 0.2022 0.2759 0.2759 0.2820 0.2820 0.4035 0.4035 7.3920 7.3920 7.4437 7.4437 7.5491 7.5491 10.8590 10.8590 11.3011 11.3011 k = 0.2093 0.3625 0.5343 ( 11910 PWs) bands (ev): -40.2447 -40.2447 -40.2333 -40.2333 -19.3128 -19.3128 -19.2540 -19.2540 -19.2499 -19.2499 -18.9442 -18.9442 -18.8904 -18.8904 -18.8363 -18.8363 -2.5461 -2.5461 -2.3372 -2.3372 -2.1357 -2.1357 -1.8371 -1.8371 -1.5772 -1.5772 -1.1928 -1.1928 -1.0104 -1.0104 -0.7839 -0.7839 -0.4738 -0.4738 -0.2336 -0.2336 -0.2101 -0.2101 -0.1727 -0.1727 -0.0838 -0.0838 0.1869 0.1869 0.2076 0.2076 0.2830 0.2830 0.2864 0.2864 0.4120 0.4120 7.3965 7.3965 7.4487 7.4487 7.5530 7.5530 10.8684 10.8684 11.3323 11.3323 k = 0.2016 0.3491 0.5343 ( 11902 PWs) bands (ev): -40.2451 -40.2451 -40.2329 -40.2329 -19.3158 -19.3158 -19.2599 -19.2599 -19.2470 -19.2470 -18.9475 -18.9475 -18.8856 -18.8856 -18.8320 -18.8320 -2.5296 -2.5296 -2.3190 -2.3190 -2.1405 -2.1405 -1.8295 -1.8295 -1.5920 -1.5920 -1.1964 -1.1964 -1.0240 -1.0240 -0.7652 -0.7652 -0.4887 -0.4887 -0.2650 -0.2650 -0.2139 -0.2139 -0.1844 -0.1844 -0.0882 -0.0882 0.1931 0.1931 0.2136 0.2136 0.2884 0.2884 0.2930 0.2930 0.4202 0.4202 7.4014 7.4014 7.4537 7.4537 7.5569 7.5569 10.8796 10.8796 11.3639 11.3639 k = 0.1938 0.3357 0.5343 ( 11906 PWs) bands (ev): -40.2454 -40.2454 -40.2326 -40.2326 -19.3199 -19.3199 -19.2646 -19.2646 -19.2441 -19.2441 -18.9514 -18.9514 -18.8803 -18.8803 -18.8278 -18.8278 -2.5112 -2.5112 -2.3009 -2.3009 -2.1431 -2.1431 -1.8219 -1.8219 -1.6076 -1.6076 -1.2020 -1.2020 -1.0379 -1.0379 -0.7464 -0.7464 -0.5053 -0.5053 -0.2994 -0.2994 -0.2245 -0.2245 -0.1907 -0.1907 -0.0893 -0.0893 0.1997 0.1997 0.2201 0.2201 0.2933 0.2933 0.3007 0.3007 0.4282 0.4282 7.4067 7.4067 7.4588 7.4588 7.5607 7.5607 10.8926 10.8926 11.3956 11.3956 k = 0.1860 0.3222 0.5343 ( 11918 PWs) bands (ev): -40.2457 -40.2457 -40.2322 -40.2322 -19.3251 -19.3251 -19.2678 -19.2678 -19.2412 -19.2412 -18.9557 -18.9557 -18.8748 -18.8748 -18.8237 -18.8237 -2.4909 -2.4909 -2.2834 -2.2834 -2.1431 -2.1431 -1.8145 -1.8145 -1.6234 -1.6234 -1.2090 -1.2090 -1.0519 -1.0519 -0.7286 -0.7286 -0.5229 -0.5229 -0.3351 -0.3351 -0.2405 -0.2405 -0.1963 -0.1963 -0.0851 -0.0851 0.2065 0.2065 0.2272 0.2272 0.2987 0.2987 0.3084 0.3084 0.4358 0.4358 7.4123 7.4123 7.4638 7.4638 7.5644 7.5644 10.9074 10.9074 11.4273 11.4273 k = 0.1783 0.3088 0.5343 ( 11926 PWs) bands (ev): -40.2461 -40.2461 -40.2319 -40.2319 -19.3315 -19.3315 -19.2696 -19.2696 -19.2382 -19.2382 -18.9605 -18.9605 -18.8691 -18.8691 -18.8196 -18.8196 -2.4690 -2.4690 -2.2668 -2.2668 -2.1402 -2.1402 -1.8079 -1.8079 -1.6384 -1.6384 -1.2172 -1.2172 -1.0662 -1.0662 -0.7129 -0.7129 -0.5412 -0.5412 -0.3717 -0.3717 -0.2589 -0.2589 -0.2054 -0.2054 -0.0748 -0.0748 0.2134 0.2134 0.2349 0.2349 0.3047 0.3047 0.3162 0.3162 0.4433 0.4433 7.4183 7.4183 7.4688 7.4688 7.5681 7.5681 10.9239 10.9239 11.4590 11.4590 k = 0.1705 0.2954 0.5343 ( 11914 PWs) bands (ev): -40.2464 -40.2464 -40.2316 -40.2316 -19.3387 -19.3387 -19.2701 -19.2701 -19.2353 -19.2353 -18.9656 -18.9656 -18.8632 -18.8632 -18.8157 -18.8157 -2.4453 -2.4453 -2.2515 -2.2515 -2.1340 -2.1340 -1.8028 -1.8028 -1.6517 -1.6517 -1.2262 -1.2262 -1.0807 -1.0807 -0.7005 -0.7005 -0.5594 -0.5594 -0.4089 -0.4089 -0.2784 -0.2784 -0.2188 -0.2188 -0.0590 -0.0590 0.2202 0.2202 0.2432 0.2432 0.3114 0.3114 0.3239 0.3239 0.4505 0.4505 7.4245 7.4245 7.4737 7.4737 7.5717 7.5717 10.9420 10.9420 11.4904 11.4904 k = 0.1628 0.2820 0.5343 ( 11910 PWs) bands (ev): -40.2467 -40.2467 -40.2312 -40.2312 -19.3466 -19.3466 -19.2696 -19.2696 -19.2325 -19.2325 -18.9711 -18.9711 -18.8574 -18.8574 -18.8119 -18.8119 -2.4200 -2.4200 -2.2379 -2.2379 -2.1242 -2.1242 -1.8003 -1.8003 -1.6620 -1.6620 -1.2357 -1.2357 -1.0953 -1.0953 -0.6927 -0.6927 -0.5766 -0.5766 -0.4467 -0.4467 -0.2985 -0.2985 -0.2355 -0.2355 -0.0389 -0.0389 0.2268 0.2268 0.2520 0.2520 0.3187 0.3187 0.3316 0.3316 0.4574 0.4574 7.4308 7.4308 7.4784 7.4784 7.5753 7.5753 10.9618 10.9618 11.5215 11.5215 k = 0.1550 0.2685 0.5343 ( 11914 PWs) bands (ev): -40.2470 -40.2470 -40.2309 -40.2309 -19.3548 -19.3548 -19.2682 -19.2682 -19.2297 -19.2297 -18.9768 -18.9768 -18.8516 -18.8516 -18.8082 -18.8082 -2.3932 -2.3932 -2.2261 -2.2261 -2.1109 -2.1109 -1.8013 -1.8013 -1.6680 -1.6680 -1.2455 -1.2455 -1.1102 -1.1102 -0.6912 -0.6912 -0.5913 -0.5913 -0.4848 -0.4848 -0.3189 -0.3189 -0.2548 -0.2548 -0.0157 -0.0157 0.2332 0.2332 0.2614 0.2614 0.3265 0.3265 0.3391 0.3391 0.4641 0.4641 7.4373 7.4373 7.4829 7.4829 7.5789 7.5789 10.9831 10.9831 11.5522 11.5522 k = 0.1473 0.2551 0.5343 ( 11926 PWs) bands (ev): -40.2473 -40.2473 -40.2306 -40.2306 -19.3632 -19.3632 -19.2661 -19.2661 -19.2269 -19.2269 -18.9828 -18.9828 -18.8459 -18.8459 -18.8046 -18.8046 -2.3650 -2.3650 -2.2157 -2.2157 -2.0943 -2.0943 -1.8064 -1.8064 -1.6691 -1.6691 -1.2555 -1.2555 -1.1252 -1.1252 -0.6973 -0.6973 -0.6023 -0.6023 -0.5231 -0.5231 -0.3396 -0.3396 -0.2757 -0.2757 0.0096 0.0096 0.2392 0.2392 0.2712 0.2712 0.3349 0.3349 0.3467 0.3467 0.4705 0.4705 7.4438 7.4438 7.4872 7.4872 7.5824 7.5824 11.0058 11.0058 11.5822 11.5822 k = 0.1395 0.2417 0.5343 ( 11938 PWs) bands (ev): -40.2476 -40.2476 -40.2303 -40.2303 -19.3716 -19.3716 -19.2636 -19.2636 -19.2242 -19.2242 -18.9890 -18.9890 -18.8403 -18.8403 -18.8011 -18.8011 -2.3355 -2.3355 -2.2063 -2.2063 -2.0752 -2.0752 -1.8152 -1.8152 -1.6654 -1.6654 -1.2655 -1.2655 -1.1404 -1.1404 -0.7109 -0.7109 -0.6099 -0.6099 -0.5613 -0.5613 -0.3602 -0.3602 -0.2976 -0.2976 0.0363 0.0363 0.2450 0.2450 0.2813 0.2813 0.3437 0.3437 0.3543 0.3543 0.4767 0.4767 7.4503 7.4503 7.4913 7.4913 7.5859 7.5859 11.0298 11.0298 11.6116 11.6116 k = 0.1318 0.2283 0.5343 ( 11926 PWs) bands (ev): -40.2479 -40.2479 -40.2301 -40.2301 -19.3799 -19.3799 -19.2605 -19.2605 -19.2215 -19.2215 -18.9954 -18.9954 -18.8349 -18.8349 -18.7977 -18.7977 -2.3050 -2.3050 -2.1975 -2.1975 -2.0540 -2.0540 -1.8263 -1.8263 -1.6580 -1.6580 -1.2753 -1.2753 -1.1558 -1.1558 -0.7304 -0.7304 -0.6167 -0.6167 -0.5985 -0.5985 -0.3806 -0.3806 -0.3197 -0.3197 0.0636 0.0636 0.2505 0.2505 0.2918 0.2918 0.3526 0.3526 0.3621 0.3621 0.4827 0.4827 7.4568 7.4568 7.4951 7.4951 7.5894 7.5894 11.0551 11.0551 11.6400 11.6400 k = 0.1240 0.2148 0.5343 ( 11924 PWs) bands (ev): -40.2482 -40.2482 -40.2298 -40.2298 -19.3880 -19.3880 -19.2571 -19.2571 -19.2190 -19.2190 -19.0020 -19.0020 -18.8297 -18.8297 -18.7944 -18.7944 -2.2737 -2.2737 -2.1888 -2.1888 -2.0313 -2.0313 -1.8387 -1.8387 -1.6478 -1.6478 -1.2849 -1.2849 -1.1714 -1.1714 -0.7539 -0.7539 -0.6398 -0.6398 -0.6194 -0.6194 -0.4008 -0.4008 -0.3416 -0.3416 0.0909 0.0909 0.2557 0.2557 0.3024 0.3024 0.3613 0.3613 0.3706 0.3706 0.4883 0.4883 7.4631 7.4631 7.4987 7.4987 7.5929 7.5929 11.0815 11.0815 11.6239 11.6239 k = 0.1163 0.2014 0.5343 ( 11940 PWs) bands (ev): -40.2484 -40.2484 -40.2295 -40.2295 -19.3958 -19.3958 -19.2533 -19.2533 -19.2165 -19.2165 -19.0087 -19.0087 -18.8248 -18.8248 -18.7913 -18.7913 -2.2420 -2.2420 -2.1801 -2.1801 -2.0075 -2.0075 -1.8511 -1.8511 -1.6357 -1.6357 -1.2942 -1.2942 -1.1872 -1.1872 -0.7802 -0.7802 -0.6767 -0.6767 -0.6276 -0.6276 -0.4205 -0.4205 -0.3626 -0.3626 0.1175 0.1175 0.2607 0.2607 0.3131 0.3131 0.3692 0.3692 0.3802 0.3802 0.4937 0.4937 7.4691 7.4691 7.5021 7.5021 7.5963 7.5963 11.1089 11.1089 11.5628 11.5628 k = 0.1085 0.1880 0.5343 ( 11940 PWs) bands (ev): -40.2487 -40.2487 -40.2293 -40.2293 -19.4033 -19.4033 -19.2493 -19.2493 -19.2142 -19.2142 -19.0154 -19.0154 -18.8202 -18.8202 -18.7883 -18.7883 -2.2105 -2.2105 -2.1710 -2.1710 -1.9829 -1.9829 -1.8625 -1.8625 -1.6222 -1.6222 -1.3032 -1.3032 -1.2031 -1.2031 -0.8087 -0.8087 -0.7137 -0.7137 -0.6371 -0.6371 -0.4396 -0.4396 -0.3822 -0.3822 0.1428 0.1428 0.2653 0.2653 0.3239 0.3239 0.3763 0.3763 0.3909 0.3909 0.4989 0.4989 7.4749 7.4749 7.5053 7.5053 7.5997 7.5997 11.1371 11.1371 11.5051 11.5051 k = 0.1008 0.1745 0.5343 ( 11944 PWs) bands (ev): -40.2489 -40.2489 -40.2291 -40.2291 -19.4105 -19.4105 -19.2450 -19.2450 -19.2120 -19.2120 -19.0222 -19.0222 -18.8159 -18.8159 -18.7854 -18.7854 -2.1802 -2.1802 -2.1612 -2.1612 -1.9579 -1.9579 -1.8719 -1.8719 -1.6078 -1.6078 -1.3117 -1.3117 -1.2192 -1.2192 -0.8390 -0.8390 -0.7501 -0.7501 -0.6487 -0.6487 -0.4580 -0.4580 -0.3998 -0.3998 0.1665 0.1665 0.2696 0.2696 0.3346 0.3346 0.3828 0.3828 0.4026 0.4026 0.5037 0.5037 7.4803 7.4803 7.5083 7.5083 7.6031 7.6031 11.1659 11.1659 11.4509 11.4509 k = 0.0930 0.1611 0.5343 ( 11954 PWs) bands (ev): -40.2491 -40.2491 -40.2289 -40.2289 -19.4172 -19.4172 -19.2405 -19.2405 -19.2099 -19.2099 -19.0291 -19.0291 -18.8119 -18.8119 -18.7826 -18.7826 -2.1567 -2.1567 -2.1461 -2.1461 -1.9326 -1.9326 -1.8782 -1.8782 -1.5926 -1.5926 -1.3197 -1.3197 -1.2353 -1.2353 -0.8710 -0.8710 -0.7856 -0.7856 -0.6625 -0.6625 -0.4756 -0.4756 -0.4153 -0.4153 0.1881 0.1881 0.2737 0.2737 0.3451 0.3451 0.3889 0.3889 0.4152 0.4152 0.5083 0.5083 7.4852 7.4852 7.5111 7.5111 7.6063 7.6063 11.1947 11.1947 11.4007 11.4007 k = 0.0853 0.1477 0.5343 ( 11954 PWs) bands (ev): -40.2493 -40.2493 -40.2287 -40.2287 -19.4235 -19.4235 -19.2359 -19.2359 -19.2079 -19.2079 -19.0359 -19.0359 -18.8082 -18.8082 -18.7800 -18.7800 -2.1450 -2.1450 -2.1218 -2.1218 -1.9080 -1.9080 -1.8795 -1.8795 -1.5769 -1.5769 -1.3273 -1.3273 -1.2514 -1.2514 -0.9045 -0.9045 -0.8200 -0.8200 -0.6779 -0.6779 -0.4924 -0.4924 -0.4285 -0.4285 0.2073 0.2073 0.2774 0.2774 0.3552 0.3552 0.3946 0.3946 0.4284 0.4284 0.5126 0.5126 7.4896 7.4896 7.5139 7.5139 7.6095 7.6095 11.2227 11.2227 11.3556 11.3556 k = 0.0775 0.1343 0.5343 ( 11942 PWs) bands (ev): -40.2495 -40.2495 -40.2285 -40.2285 -19.4294 -19.4294 -19.2311 -19.2311 -19.2060 -19.2060 -19.0426 -19.0426 -18.8049 -18.8049 -18.7775 -18.7775 -2.1352 -2.1352 -2.1002 -2.1002 -1.8869 -1.8869 -1.8718 -1.8718 -1.5608 -1.5608 -1.3343 -1.3343 -1.2675 -1.2675 -0.9396 -0.9396 -0.8531 -0.8531 -0.6945 -0.6945 -0.5082 -0.5082 -0.4396 -0.4396 0.2241 0.2241 0.2809 0.2809 0.3646 0.3646 0.4000 0.4000 0.4420 0.4420 0.5166 0.5166 7.4934 7.4934 7.5166 7.5166 7.6125 7.6125 11.2455 11.2455 11.3196 11.3196 k = 0.0698 0.1208 0.5343 ( 11950 PWs) bands (ev): -40.2497 -40.2497 -40.2283 -40.2283 -19.4348 -19.4348 -19.2263 -19.2263 -19.2044 -19.2044 -19.0492 -19.0492 -18.8019 -18.8019 -18.7752 -18.7752 -2.1257 -2.1257 -2.0838 -2.0838 -1.8719 -1.8719 -1.8517 -1.8517 -1.5444 -1.5444 -1.3407 -1.3407 -1.2834 -1.2834 -0.9759 -0.9759 -0.8845 -0.8845 -0.7117 -0.7117 -0.5229 -0.5229 -0.4488 -0.4488 0.2385 0.2385 0.2842 0.2842 0.3732 0.3732 0.4051 0.4051 0.4559 0.4559 0.5204 0.5204 7.4966 7.4966 7.5193 7.5193 7.6153 7.6153 11.2451 11.2451 11.3108 11.3108 k = 0.0620 0.1074 0.5343 ( 11942 PWs) bands (ev): -40.2498 -40.2498 -40.2282 -40.2282 -19.4396 -19.4396 -19.2216 -19.2216 -19.2028 -19.2028 -19.0556 -19.0556 -18.7993 -18.7993 -18.7730 -18.7730 -2.1167 -2.1167 -2.0732 -2.0732 -1.8544 -1.8544 -1.8280 -1.8280 -1.5277 -1.5277 -1.3465 -1.3465 -1.2990 -1.2990 -1.0134 -1.0134 -0.9140 -0.9140 -0.7288 -0.7288 -0.5363 -0.5363 -0.4563 -0.4563 0.2506 0.2506 0.2871 0.2871 0.3809 0.3809 0.4099 0.4099 0.4695 0.4695 0.5239 0.5239 7.4993 7.4993 7.5219 7.5219 7.6180 7.6180 11.2193 11.2193 11.3311 11.3311 k = 0.0543 0.0940 0.5343 ( 11946 PWs) bands (ev): -40.2499 -40.2499 -40.2281 -40.2281 -19.4439 -19.4439 -19.2169 -19.2169 -19.2015 -19.2015 -19.0617 -19.0617 -18.7970 -18.7970 -18.7711 -18.7711 -2.1082 -2.1082 -2.0675 -2.0675 -1.8324 -1.8324 -1.8045 -1.8045 -1.5105 -1.5105 -1.3518 -1.3518 -1.3141 -1.3141 -1.0519 -1.0519 -0.9413 -0.9413 -0.7453 -0.7453 -0.5485 -0.5485 -0.4625 -0.4625 0.2607 0.2607 0.2899 0.2899 0.3876 0.3876 0.4144 0.4144 0.4825 0.4825 0.5272 0.5272 7.5014 7.5014 7.5244 7.5244 7.6204 7.6204 11.1903 11.1903 11.3580 11.3580 k = 0.0465 0.0806 0.5343 ( 11934 PWs) bands (ev): -40.2501 -40.2501 -40.2279 -40.2279 -19.4477 -19.4477 -19.2124 -19.2124 -19.2003 -19.2003 -19.0674 -19.0674 -18.7951 -18.7951 -18.7693 -18.7693 -2.1005 -2.1005 -2.0652 -2.0652 -1.8076 -1.8076 -1.7821 -1.7821 -1.4930 -1.4930 -1.3564 -1.3564 -1.3284 -1.3284 -1.0908 -1.0908 -0.9660 -0.9660 -0.7605 -0.7605 -0.5591 -0.5591 -0.4675 -0.4675 0.2688 0.2688 0.2924 0.2924 0.3931 0.3931 0.4185 0.4185 0.4943 0.4943 0.5304 0.5304 7.5030 7.5030 7.5267 7.5267 7.6226 7.6226 11.1637 11.1637 11.3856 11.3856 k = 0.0388 0.0671 0.5343 ( 11926 PWs) bands (ev): -40.2502 -40.2502 -40.2278 -40.2278 -19.4509 -19.4509 -19.2082 -19.2082 -19.1992 -19.1992 -19.0727 -19.0727 -18.7934 -18.7934 -18.7678 -18.7678 -2.0939 -2.0939 -2.0647 -2.0647 -1.7820 -1.7820 -1.7614 -1.7614 -1.4748 -1.4748 -1.3606 -1.3606 -1.3414 -1.3414 -1.1299 -1.1299 -0.9878 -0.9878 -0.7742 -0.7742 -0.5683 -0.5683 -0.4715 -0.4715 0.2751 0.2751 0.2948 0.2948 0.3977 0.3977 0.4222 0.4222 0.5046 0.5046 0.5335 0.5335 7.5042 7.5042 7.5288 7.5288 7.6244 7.6244 11.1406 11.1406 11.4121 11.4121 k = 0.0310 0.0537 0.5343 ( 11922 PWs) bands (ev): -40.2502 -40.2502 -40.2277 -40.2277 -19.4536 -19.4536 -19.2045 -19.2045 -19.1984 -19.1984 -19.0773 -19.0773 -18.7921 -18.7921 -18.7665 -18.7665 -2.0887 -2.0887 -2.0649 -2.0649 -1.7577 -1.7577 -1.7429 -1.7429 -1.4559 -1.4559 -1.3646 -1.3646 -1.3522 -1.3522 -1.1684 -1.1684 -1.0062 -1.0062 -0.7858 -0.7858 -0.5759 -0.5759 -0.4746 -0.4746 0.2799 0.2799 0.2969 0.2969 0.4013 0.4013 0.4253 0.4253 0.5128 0.5128 0.5367 0.5367 7.5052 7.5052 7.5306 7.5306 7.6260 7.6260 11.1215 11.1215 11.4364 11.4364 k = 0.0233 0.0403 0.5343 ( 11910 PWs) bands (ev): -40.2503 -40.2503 -40.2277 -40.2277 -19.4556 -19.4556 -19.2013 -19.2013 -19.1977 -19.1977 -19.0811 -19.0811 -18.7911 -18.7911 -18.7655 -18.7655 -2.0851 -2.0851 -2.0649 -2.0649 -1.7365 -1.7365 -1.7274 -1.7274 -1.4367 -1.4367 -1.3689 -1.3689 -1.3594 -1.3594 -1.2054 -1.2054 -1.0210 -1.0210 -0.7952 -0.7952 -0.5819 -0.5819 -0.4769 -0.4769 0.2833 0.2833 0.2988 0.2988 0.4041 0.4041 0.4279 0.4279 0.5187 0.5187 0.5400 0.5400 7.5058 7.5058 7.5320 7.5320 7.6273 7.6273 11.1066 11.1066 11.4574 11.4574 k = 0.0155 0.0269 0.5343 ( 11910 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4571 -19.4571 -19.1989 -19.1989 -19.1973 -19.1973 -19.0840 -19.0840 -18.7904 -18.7904 -18.7648 -18.7648 -2.0831 -2.0831 -2.0645 -2.0645 -1.7201 -1.7201 -1.7155 -1.7155 -1.4190 -1.4190 -1.3723 -1.3723 -1.3624 -1.3624 -1.2392 -1.2392 -1.0318 -1.0318 -0.8021 -0.8021 -0.5862 -0.5862 -0.4785 -0.4785 0.2856 0.2856 0.3003 0.3003 0.4060 0.4060 0.4298 0.4298 0.5225 0.5225 0.5428 0.5428 7.5063 7.5063 7.5331 7.5331 7.6282 7.6282 11.0958 11.0958 11.4737 11.4737 k = 0.0078 0.0134 0.5343 ( 11924 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4580 -19.4580 -19.1974 -19.1974 -19.1970 -19.1970 -19.0858 -19.0858 -18.7899 -18.7899 -18.7644 -18.7644 -2.0822 -2.0822 -2.0640 -2.0640 -1.7099 -1.7099 -1.7078 -1.7078 -1.4073 -1.4073 -1.3722 -1.3722 -1.3615 -1.3615 -1.2661 -1.2661 -1.0384 -1.0384 -0.8063 -0.8063 -0.5887 -0.5887 -0.4795 -0.4795 0.2868 0.2868 0.3012 0.3012 0.4071 0.4071 0.4309 0.4309 0.5245 0.5245 0.5449 0.5449 7.5066 7.5066 7.5337 7.5337 7.6287 7.6287 11.0893 11.0893 11.4842 11.4842 k = 0.0000 0.0000 0.5343 ( 11896 PWs) bands (ev): -40.2504 -40.2504 -40.2276 -40.2276 -19.4583 -19.4583 -19.1969 -19.1969 -19.1969 -19.1969 -19.0865 -19.0865 -18.7898 -18.7898 -18.7642 -18.7642 -2.0819 -2.0819 -2.0638 -2.0638 -1.7066 -1.7066 -1.7050 -1.7050 -1.4039 -1.4039 -1.3714 -1.3714 -1.3590 -1.3590 -1.2775 -1.2775 -1.0407 -1.0407 -0.8077 -0.8077 -0.5896 -0.5896 -0.4798 -0.4798 0.2872 0.2872 0.3015 0.3015 0.4075 0.4075 0.4313 0.4313 0.5251 0.5251 0.5456 0.5456 7.5066 7.5066 7.5339 7.5339 7.6289 7.6289 11.0872 11.0872 11.4878 11.4878 k = 0.5000 0.2887 0.5343 ( 11940 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3059 -19.3059 -19.2847 -19.2847 -19.1703 -19.1703 -18.9830 -18.9830 -18.9250 -18.9250 -18.8178 -18.8178 -2.6707 -2.6707 -2.4537 -2.4537 -2.1925 -2.1925 -1.4839 -1.4839 -1.4360 -1.4360 -1.1561 -1.1561 -1.0767 -1.0767 -1.0037 -1.0037 -0.5781 -0.5781 -0.2159 -0.2159 -0.1245 -0.1245 0.0152 0.0152 0.0397 0.0397 0.0668 0.0668 0.1805 0.1805 0.2516 0.2516 0.3033 0.3033 0.3524 0.3524 7.3362 7.3362 7.4364 7.4364 7.5772 7.5772 10.8045 10.8045 11.2552 11.2552 k = 0.5000 0.2887 0.5186 ( 11928 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3057 -19.3057 -19.2849 -19.2849 -19.1705 -19.1705 -18.9831 -18.9831 -18.9245 -18.9245 -18.8180 -18.8180 -2.6699 -2.6699 -2.4529 -2.4529 -2.1928 -2.1928 -1.4849 -1.4849 -1.4368 -1.4368 -1.1564 -1.1564 -1.0757 -1.0757 -1.0028 -1.0028 -0.5769 -0.5769 -0.2172 -0.2172 -0.1244 -0.1244 0.0118 0.0118 0.0379 0.0379 0.0694 0.0694 0.1812 0.1812 0.2468 0.2468 0.3081 0.3081 0.3527 0.3527 7.3361 7.3361 7.4363 7.4363 7.5769 7.5769 10.8056 10.8056 11.2540 11.2540 k = 0.5000 0.2887 0.5029 ( 11920 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3053 -19.3053 -19.2856 -19.2856 -19.1709 -19.1709 -18.9834 -18.9834 -18.9232 -18.9232 -18.8184 -18.8184 -2.6676 -2.6676 -2.4504 -2.4504 -2.1939 -2.1939 -1.4882 -1.4882 -1.4386 -1.4386 -1.1573 -1.1573 -1.0730 -1.0730 -1.0002 -1.0002 -0.5734 -0.5734 -0.2211 -0.2211 -0.1243 -0.1243 0.0035 0.0035 0.0324 0.0324 0.0760 0.0760 0.1832 0.1832 0.2359 0.2359 0.3194 0.3194 0.3536 0.3536 7.3357 7.3357 7.4362 7.4362 7.5762 7.5762 10.8090 10.8090 11.2505 11.2505 k = 0.5000 0.2887 0.4872 ( 11912 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3045 -19.3045 -19.2866 -19.2866 -19.1715 -19.1715 -18.9841 -18.9841 -18.9211 -18.9211 -18.8191 -18.8191 -2.6638 -2.6638 -2.4463 -2.4463 -2.1957 -2.1957 -1.4948 -1.4948 -1.4399 -1.4399 -1.1587 -1.1587 -1.0688 -1.0688 -0.9959 -0.9959 -0.5677 -0.5677 -0.2278 -0.2278 -0.1240 -0.1240 -0.0075 -0.0075 0.0232 0.0232 0.0844 0.0844 0.1861 0.1861 0.2231 0.2231 0.3328 0.3328 0.3552 0.3552 7.3351 7.3351 7.4360 7.4360 7.5750 7.5750 10.8145 10.8145 11.2446 11.2446 k = 0.5000 0.2887 0.4715 ( 11916 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3034 -19.3034 -19.2881 -19.2881 -19.1722 -19.1722 -18.9850 -18.9850 -18.9181 -18.9181 -18.8200 -18.8200 -2.6584 -2.6584 -2.4406 -2.4406 -2.1982 -2.1982 -1.5054 -1.5054 -1.4396 -1.4396 -1.1606 -1.1606 -1.0637 -1.0637 -0.9902 -0.9902 -0.5598 -0.5598 -0.2374 -0.2374 -0.1236 -0.1236 -0.0198 -0.0198 0.0110 0.0110 0.0933 0.0933 0.1892 0.1892 0.2106 0.2106 0.3458 0.3458 0.3582 0.3582 7.3342 7.3342 7.4357 7.4357 7.5733 7.5733 10.8223 10.8223 11.2362 11.2362 k = 0.5000 0.2887 0.4558 ( 11922 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3020 -19.3020 -19.2901 -19.2901 -19.1730 -19.1730 -18.9862 -18.9862 -18.9144 -18.9144 -18.8212 -18.8212 -2.6516 -2.6516 -2.4334 -2.4334 -2.2014 -2.2014 -1.5197 -1.5197 -1.4372 -1.4372 -1.1626 -1.1626 -1.0582 -1.0582 -0.9833 -0.9833 -0.5500 -0.5500 -0.2499 -0.2499 -0.1228 -0.1228 -0.0331 -0.0331 -0.0031 -0.0031 0.1016 0.1016 0.1901 0.1901 0.2015 0.2015 0.3546 0.3546 0.3657 0.3657 7.3330 7.3330 7.4353 7.4353 7.5713 7.5713 10.8323 10.8323 11.2253 11.2253 k = 0.5000 0.2887 0.4400 ( 11912 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3003 -19.3003 -19.2925 -19.2925 -19.1737 -19.1737 -18.9877 -18.9877 -18.9100 -18.9100 -18.8227 -18.8227 -2.6432 -2.6432 -2.4245 -2.4245 -2.2052 -2.2052 -1.5369 -1.5369 -1.4330 -1.4330 -1.1648 -1.1648 -1.0529 -1.0529 -0.9754 -0.9754 -0.5386 -0.5386 -0.2656 -0.2656 -0.1218 -0.1218 -0.0476 -0.0476 -0.0182 -0.0182 0.1084 0.1084 0.1840 0.1840 0.2015 0.2015 0.3584 0.3584 0.3778 0.3778 7.3316 7.3316 7.4349 7.4349 7.5688 7.5688 10.8445 10.8445 11.2117 11.2117 k = 0.5000 0.2887 0.4243 ( 11908 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.2983 -19.2983 -19.2954 -19.2954 -19.1743 -19.1743 -18.9896 -18.9896 -18.9051 -18.9051 -18.8244 -18.8244 -2.6334 -2.6334 -2.4142 -2.4142 -2.2097 -2.2097 -1.5560 -1.5560 -1.4272 -1.4272 -1.1670 -1.1670 -1.0479 -1.0479 -0.9667 -0.9667 -0.5259 -0.5259 -0.2843 -0.2843 -0.1206 -0.1206 -0.0637 -0.0637 -0.0330 -0.0330 0.1126 0.1126 0.1776 0.1776 0.2050 0.2050 0.3613 0.3613 0.3904 0.3904 7.3299 7.3299 7.4343 7.4343 7.5661 7.5661 10.8588 10.8588 11.1956 11.1956 k = 0.5000 0.2887 0.4086 ( 11912 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.2988 -19.2988 -19.2960 -19.2960 -19.1747 -19.1747 -18.9917 -18.9917 -18.8997 -18.8997 -18.8263 -18.8263 -2.6221 -2.6221 -2.4024 -2.4024 -2.2148 -2.2148 -1.5764 -1.5764 -1.4201 -1.4201 -1.1689 -1.1689 -1.0437 -1.0437 -0.9573 -0.9573 -0.5125 -0.5125 -0.3060 -0.3060 -0.1199 -0.1199 -0.0813 -0.0813 -0.0462 -0.0462 0.1128 0.1128 0.1750 0.1750 0.2090 0.2090 0.3639 0.3639 0.4023 0.4023 7.3278 7.3278 7.4338 7.4338 7.5631 7.5631 10.8752 10.8752 11.1767 11.1767 k = 0.5000 0.2887 0.3929 ( 11914 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3026 -19.3026 -19.2934 -19.2934 -19.1748 -19.1748 -18.9942 -18.9942 -18.8939 -18.8939 -18.8283 -18.8283 -2.6095 -2.6095 -2.3893 -2.3893 -2.2205 -2.2205 -1.5975 -1.5975 -1.4120 -1.4120 -1.1706 -1.1706 -1.0403 -1.0403 -0.9476 -0.9476 -0.4988 -0.4988 -0.3304 -0.3304 -0.1233 -0.1233 -0.0966 -0.0966 -0.0576 -0.0576 0.1090 0.1090 0.1768 0.1768 0.2131 0.2131 0.3666 0.3666 0.4133 0.4133 7.3254 7.3254 7.4331 7.4331 7.5598 7.5598 10.8936 10.8936 11.1553 11.1553 k = 0.5000 0.2887 0.3772 ( 11916 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3068 -19.3068 -19.2906 -19.2906 -19.1745 -19.1745 -18.9970 -18.9970 -18.8879 -18.8879 -18.8305 -18.8305 -2.5955 -2.5955 -2.3749 -2.3749 -2.2267 -2.2267 -1.6186 -1.6186 -1.4031 -1.4031 -1.1719 -1.1719 -1.0379 -1.0379 -0.9375 -0.9375 -0.4855 -0.4855 -0.3573 -0.3573 -0.1389 -0.1389 -0.1011 -0.1011 -0.0672 -0.0672 0.1024 0.1024 0.1818 0.1818 0.2172 0.2172 0.3692 0.3692 0.4232 0.4232 7.3227 7.3227 7.4324 7.4324 7.5564 7.5564 10.9140 10.9140 11.1313 11.1313 k = 0.5000 0.2887 0.3615 ( 11920 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3113 -19.3113 -19.2874 -19.2874 -19.1740 -19.1740 -19.0002 -19.0002 -18.8819 -18.8819 -18.8327 -18.8327 -2.5802 -2.5802 -2.3594 -2.3594 -2.2333 -2.2333 -1.6395 -1.6395 -1.3933 -1.3933 -1.1728 -1.1728 -1.0363 -1.0363 -0.9274 -0.9274 -0.4735 -0.4735 -0.3863 -0.3863 -0.1625 -0.1625 -0.0988 -0.0988 -0.0747 -0.0747 0.0945 0.0945 0.1885 0.1885 0.2212 0.2212 0.3718 0.3718 0.4319 0.4319 7.3196 7.3196 7.4317 7.4317 7.5530 7.5530 10.9363 10.9363 11.1049 11.1049 k = 0.5000 0.2887 0.3457 ( 11912 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3162 -19.3162 -19.2841 -19.2841 -19.1730 -19.1730 -19.0036 -19.0036 -18.8759 -18.8759 -18.8348 -18.8348 -2.5636 -2.5636 -2.3430 -2.3430 -2.2401 -2.2401 -1.6597 -1.6597 -1.3829 -1.3829 -1.1733 -1.1733 -1.0355 -1.0355 -0.9172 -0.9172 -0.4640 -0.4640 -0.4161 -0.4161 -0.1890 -0.1890 -0.0968 -0.0968 -0.0779 -0.0779 0.0863 0.0863 0.1960 0.1960 0.2251 0.2251 0.3744 0.3744 0.4395 0.4395 7.3161 7.3161 7.4309 7.4309 7.5495 7.5495 10.9605 10.9605 11.0765 11.0765 k = 0.5000 0.2887 0.3300 ( 11910 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3213 -19.3213 -19.2804 -19.2804 -19.1717 -19.1717 -19.0073 -19.0073 -18.8705 -18.8705 -18.8365 -18.8365 -2.5459 -2.5459 -2.3260 -2.3260 -2.2470 -2.2470 -1.6791 -1.6791 -1.3721 -1.3721 -1.1732 -1.1732 -1.0354 -1.0354 -0.9073 -0.9073 -0.4646 -0.4646 -0.4398 -0.4398 -0.2168 -0.2168 -0.0995 -0.0995 -0.0734 -0.0734 0.0784 0.0784 0.2037 0.2037 0.2289 0.2289 0.3771 0.3771 0.4459 0.4459 7.3123 7.3123 7.4301 7.4301 7.5460 7.5460 10.9862 10.9862 11.0464 11.0464 k = 0.5000 0.2887 0.3143 ( 11920 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3266 -19.3266 -19.2765 -19.2765 -19.1701 -19.1701 -19.0112 -19.0112 -18.8661 -18.8661 -18.8373 -18.8373 -2.5270 -2.5270 -2.3094 -2.3094 -2.2530 -2.2530 -1.6973 -1.6973 -1.3608 -1.3608 -1.1726 -1.1726 -1.0360 -1.0360 -0.8976 -0.8976 -0.4908 -0.4908 -0.4420 -0.4420 -0.2453 -0.2453 -0.1050 -0.1050 -0.0636 -0.0636 0.0710 0.0710 0.2113 0.2113 0.2326 0.2326 0.3799 0.3799 0.4510 0.4510 7.3081 7.3081 7.4293 7.4293 7.5427 7.5427 11.0071 11.0071 11.0215 11.0215 k = 0.5000 0.2887 0.2986 ( 11910 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3320 -19.3320 -19.2724 -19.2724 -19.1682 -19.1682 -19.0155 -19.0155 -18.8635 -18.8635 -18.8365 -18.8365 -2.5071 -2.5071 -2.2957 -2.2957 -2.2557 -2.2557 -1.7142 -1.7142 -1.3492 -1.3492 -1.1716 -1.1716 -1.0371 -1.0371 -0.8883 -0.8883 -0.5250 -0.5250 -0.4406 -0.4406 -0.2736 -0.2736 -0.1111 -0.1111 -0.0510 -0.0510 0.0645 0.0645 0.2182 0.2182 0.2365 0.2365 0.3829 0.3829 0.4548 0.4548 7.3036 7.3036 7.4285 7.4285 7.5394 7.5394 10.9795 10.9795 11.0454 11.0454 k = 0.5000 0.2887 0.2829 ( 11918 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3374 -19.3374 -19.2681 -19.2681 -19.1659 -19.1659 -19.0199 -19.0199 -18.8629 -18.8629 -18.8339 -18.8339 -2.4862 -2.4862 -2.2907 -2.2907 -2.2495 -2.2495 -1.7294 -1.7294 -1.3374 -1.3374 -1.1700 -1.1700 -1.0386 -1.0386 -0.8797 -0.8797 -0.5609 -0.5609 -0.4422 -0.4422 -0.3011 -0.3011 -0.1174 -0.1174 -0.0363 -0.0363 0.0590 0.0590 0.2240 0.2240 0.2408 0.2408 0.3860 0.3860 0.4575 0.4575 7.2988 7.2988 7.4277 7.4277 7.5363 7.5363 10.9459 10.9459 11.0762 11.0762 k = 0.5000 0.2887 0.2672 ( 11958 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3429 -19.3429 -19.2635 -19.2635 -19.1634 -19.1634 -19.0246 -19.0246 -18.8642 -18.8642 -18.8296 -18.8296 -2.4645 -2.4645 -2.2944 -2.2944 -2.2344 -2.2344 -1.7429 -1.7429 -1.3255 -1.3255 -1.1680 -1.1680 -1.0406 -1.0406 -0.8717 -0.8717 -0.5977 -0.5977 -0.4483 -0.4483 -0.3264 -0.3264 -0.1237 -0.1237 -0.0203 -0.0203 0.0547 0.0547 0.2284 0.2284 0.2458 0.2458 0.3895 0.3895 0.4590 0.4590 7.2937 7.2937 7.4270 7.4270 7.5333 7.5333 10.9116 10.9116 11.1088 11.1088 k = 0.5000 0.2887 0.2515 ( 11950 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3483 -19.3483 -19.2588 -19.2588 -19.1608 -19.1608 -19.0294 -19.0294 -18.8666 -18.8666 -18.8246 -18.8246 -2.4421 -2.4421 -2.3016 -2.3016 -2.2159 -2.2159 -1.7543 -1.7543 -1.3137 -1.3137 -1.1656 -1.1656 -1.0429 -1.0429 -0.8645 -0.8645 -0.6347 -0.6347 -0.4601 -0.4601 -0.3482 -0.3482 -0.1299 -0.1299 -0.0035 -0.0035 0.0520 0.0520 0.2311 0.2311 0.2516 0.2516 0.3932 0.3932 0.4594 0.4594 7.2884 7.2884 7.4262 7.4262 7.5306 7.5306 10.8771 10.8771 11.1429 11.1429 k = 0.5000 0.2887 0.2357 ( 11946 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3536 -19.3536 -19.2539 -19.2539 -19.1579 -19.1579 -19.0344 -19.0344 -18.8696 -18.8696 -18.8191 -18.8191 -2.4191 -2.4191 -2.3101 -2.3101 -2.1964 -2.1964 -1.7636 -1.7636 -1.3019 -1.3019 -1.1627 -1.1627 -1.0455 -1.0455 -0.8583 -0.8583 -0.6716 -0.6716 -0.4778 -0.4778 -0.3659 -0.3659 -0.1362 -0.1362 0.0133 0.0133 0.0513 0.0513 0.2326 0.2326 0.2577 0.2577 0.3972 0.3972 0.4588 0.4588 7.2829 7.2829 7.4255 7.4255 7.5281 7.5281 10.8429 10.8429 11.1784 11.1784 k = 0.5000 0.2887 0.2200 ( 11932 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3587 -19.3587 -19.2489 -19.2489 -19.1549 -19.1549 -19.0396 -19.0396 -18.8730 -18.8730 -18.8136 -18.8136 -2.3956 -2.3956 -2.3190 -2.3190 -2.1770 -2.1770 -1.7704 -1.7704 -1.2904 -1.2904 -1.1596 -1.1596 -1.0485 -1.0485 -0.8534 -0.8534 -0.7078 -0.7078 -0.5005 -0.5005 -0.3798 -0.3798 -0.1424 -0.1424 0.0280 0.0280 0.0542 0.0542 0.2331 0.2331 0.2638 0.2638 0.4015 0.4015 0.4571 0.4571 7.2773 7.2773 7.4248 7.4248 7.5257 7.5257 10.8094 10.8094 11.2151 11.2151 k = 0.5000 0.2887 0.2043 ( 11958 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3637 -19.3637 -19.2437 -19.2437 -19.1518 -19.1518 -19.0449 -19.0449 -18.8766 -18.8766 -18.8082 -18.8082 -2.3718 -2.3718 -2.3280 -2.3280 -2.1583 -2.1583 -1.7746 -1.7746 -1.2791 -1.2791 -1.1562 -1.1562 -1.0520 -1.0520 -0.8503 -0.8503 -0.7425 -0.7425 -0.5267 -0.5267 -0.3908 -0.3908 -0.1486 -0.1486 0.0377 0.0377 0.0633 0.0633 0.2329 0.2329 0.2697 0.2697 0.4061 0.4061 0.4546 0.4546 7.2717 7.2717 7.4242 7.4242 7.5236 7.5236 10.7768 10.7768 11.2530 11.2530 k = 0.5000 0.2887 0.1886 ( 11948 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3684 -19.3684 -19.2384 -19.2384 -19.1486 -19.1486 -19.0503 -19.0503 -18.8803 -18.8803 -18.8029 -18.8029 -2.3481 -2.3481 -2.3367 -2.3367 -2.1407 -2.1407 -1.7761 -1.7761 -1.2682 -1.2682 -1.1526 -1.1526 -1.0559 -1.0559 -0.8506 -0.8506 -0.7739 -0.7739 -0.5547 -0.5547 -0.4002 -0.4002 -0.1548 -0.1548 0.0429 0.0429 0.0776 0.0776 0.2321 0.2321 0.2753 0.2753 0.4108 0.4108 0.4514 0.4514 7.2661 7.2661 7.4236 7.4236 7.5217 7.5217 10.7455 10.7455 11.2918 11.2918 k = 0.5000 0.2887 0.1729 ( 11928 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3728 -19.3728 -19.2331 -19.2331 -19.1454 -19.1454 -19.0558 -19.0558 -18.8839 -18.8839 -18.7980 -18.7980 -2.3458 -2.3458 -2.3240 -2.3240 -2.1246 -2.1246 -1.7747 -1.7747 -1.2577 -1.2577 -1.1490 -1.1490 -1.0604 -1.0604 -0.8579 -0.8579 -0.7981 -0.7981 -0.5831 -0.5831 -0.4086 -0.4086 -0.1608 -0.1608 0.0470 0.0470 0.0933 0.0933 0.2310 0.2310 0.2804 0.2804 0.4157 0.4157 0.4475 0.4475 7.2607 7.2607 7.4231 7.4231 7.5200 7.5200 10.7157 10.7157 11.3314 11.3314 k = 0.5000 0.2887 0.1572 ( 11922 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3770 -19.3770 -19.2278 -19.2278 -19.1423 -19.1423 -19.0613 -19.0613 -18.8875 -18.8875 -18.7933 -18.7933 -2.3541 -2.3541 -2.3006 -2.3006 -2.1104 -2.1104 -1.7703 -1.7703 -1.2477 -1.2477 -1.1454 -1.1454 -1.0657 -1.0657 -0.8761 -0.8761 -0.8107 -0.8107 -0.6112 -0.6112 -0.4163 -0.4163 -0.1666 -0.1666 0.0513 0.0513 0.1087 0.1087 0.2298 0.2298 0.2851 0.2851 0.4205 0.4205 0.4431 0.4431 7.2554 7.2554 7.4226 7.4226 7.5185 7.5185 10.6878 10.6878 11.3717 11.3717 k = 0.5000 0.2887 0.1414 ( 11912 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3808 -19.3808 -19.2224 -19.2224 -19.1393 -19.1393 -19.0667 -19.0667 -18.8910 -18.8910 -18.7890 -18.7890 -2.3619 -2.3619 -2.2779 -2.2779 -2.0982 -2.0982 -1.7633 -1.7633 -1.2382 -1.2382 -1.1420 -1.1420 -1.0717 -1.0717 -0.9014 -0.9014 -0.8152 -0.8152 -0.6381 -0.6381 -0.4235 -0.4235 -0.1721 -0.1721 0.0561 0.0561 0.1230 0.1230 0.2285 0.2285 0.2892 0.2892 0.4250 0.4250 0.4387 0.4387 7.2503 7.2503 7.4221 7.4221 7.5172 7.5172 10.6618 10.6618 11.4124 11.4124 k = 0.5000 0.2887 0.1257 ( 11918 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3843 -19.3843 -19.2172 -19.2172 -19.1364 -19.1364 -19.0721 -19.0721 -18.8944 -18.8944 -18.7851 -18.7851 -2.3692 -2.3692 -2.2561 -2.2561 -2.0881 -2.0881 -1.7540 -1.7540 -1.2293 -1.2293 -1.1390 -1.1390 -1.0786 -1.0786 -0.9282 -0.9282 -0.8165 -0.8165 -0.6633 -0.6633 -0.4301 -0.4301 -0.1773 -0.1773 0.0613 0.0613 0.1358 0.1358 0.2274 0.2274 0.2928 0.2928 0.4281 0.4281 0.4353 0.4353 7.2456 7.2456 7.4217 7.4217 7.5160 7.5160 10.6381 10.6381 11.4532 11.4532 k = 0.5000 0.2887 0.1100 ( 11930 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3874 -19.3874 -19.2121 -19.2121 -19.1336 -19.1336 -19.0773 -19.0773 -18.8974 -18.8974 -18.7816 -18.7816 -2.3759 -2.3759 -2.2356 -2.2356 -2.0799 -2.0799 -1.7428 -1.7428 -1.2209 -1.2209 -1.1365 -1.1365 -1.0863 -1.0863 -0.9540 -0.9540 -0.8169 -0.8169 -0.6863 -0.6863 -0.4361 -0.4361 -0.1821 -0.1821 0.0668 0.0668 0.1468 0.1468 0.2267 0.2267 0.2957 0.2957 0.4263 0.4263 0.4366 0.4366 7.2413 7.2413 7.4214 7.4214 7.5150 7.5150 10.6167 10.6167 11.4938 11.4938 k = 0.5000 0.2887 0.0943 ( 11942 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3902 -19.3902 -19.2072 -19.2072 -19.1312 -19.1312 -19.0822 -19.0822 -18.9003 -18.9003 -18.7785 -18.7785 -2.3818 -2.3818 -2.2167 -2.2167 -2.0735 -2.0735 -1.7305 -1.7305 -1.2130 -1.2130 -1.1349 -1.1349 -1.0947 -1.0947 -0.9773 -0.9773 -0.8171 -0.8171 -0.7066 -0.7066 -0.4415 -0.4415 -0.1864 -0.1864 0.0724 0.0724 0.1559 0.1559 0.2266 0.2266 0.2981 0.2981 0.4221 0.4221 0.4402 0.4402 7.2375 7.2375 7.4211 7.4211 7.5142 7.5142 10.5979 10.5979 11.5336 11.5336 k = 0.5000 0.2887 0.0786 ( 11946 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3925 -19.3925 -19.2027 -19.2027 -19.1289 -19.1289 -19.0868 -19.0868 -18.9027 -18.9027 -18.7759 -18.7759 -2.3870 -2.3870 -2.1998 -2.1998 -2.0687 -2.0687 -1.7179 -1.7179 -1.2057 -1.2057 -1.1342 -1.1342 -1.1035 -1.1035 -0.9976 -0.9976 -0.8173 -0.8173 -0.7240 -0.7240 -0.4463 -0.4463 -0.1902 -0.1902 0.0777 0.0777 0.1631 0.1631 0.2270 0.2270 0.2999 0.2999 0.4179 0.4179 0.4437 0.4437 7.2341 7.2341 7.4209 7.4209 7.5135 7.5135 10.5818 10.5818 11.5721 11.5721 k = 0.5000 0.2887 0.0629 ( 11954 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3944 -19.3944 -19.1987 -19.1987 -19.1271 -19.1271 -19.0909 -19.0909 -18.9048 -18.9048 -18.7737 -18.7737 -2.3912 -2.3912 -2.1853 -2.1853 -2.0651 -2.0651 -1.7060 -1.7060 -1.1989 -1.1989 -1.1347 -1.1347 -1.1121 -1.1121 -1.0142 -1.0142 -0.8175 -0.8175 -0.7383 -0.7383 -0.4503 -0.4503 -0.1933 -0.1933 0.0826 0.0826 0.1683 0.1683 0.2278 0.2278 0.3012 0.3012 0.4141 0.4141 0.4467 0.4467 7.2313 7.2313 7.4206 7.4206 7.5129 7.5129 10.5684 10.5684 11.6080 11.6080 k = 0.5000 0.2887 0.0471 ( 11972 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3959 -19.3959 -19.1953 -19.1953 -19.1256 -19.1256 -19.0944 -19.0944 -18.9065 -18.9065 -18.7720 -18.7720 -2.3946 -2.3946 -2.1736 -2.1736 -2.0626 -2.0626 -1.6955 -1.6955 -1.1927 -1.1927 -1.1365 -1.1365 -1.1199 -1.1199 -1.0269 -1.0269 -0.8177 -0.8177 -0.7494 -0.7494 -0.4534 -0.4534 -0.1958 -0.1958 0.0868 0.0868 0.1718 0.1718 0.2290 0.2290 0.3021 0.3021 0.4109 0.4109 0.4492 0.4492 7.2291 7.2291 7.4205 7.4205 7.5125 7.5125 10.5579 10.5579 11.6400 11.6400 k = 0.5000 0.2887 0.0314 ( 11978 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3970 -19.3970 -19.1927 -19.1927 -19.1244 -19.1244 -19.0971 -19.0971 -18.9077 -18.9077 -18.7708 -18.7708 -2.3970 -2.3970 -2.1650 -2.1650 -2.0609 -2.0609 -1.6873 -1.6873 -1.1874 -1.1874 -1.1393 -1.1393 -1.1259 -1.1259 -1.0356 -1.0356 -0.8180 -0.8180 -0.7572 -0.7572 -0.4557 -0.4557 -0.1976 -0.1976 0.0900 0.0900 0.1740 0.1740 0.2301 0.2301 0.3026 0.3026 0.4086 0.4086 0.4511 0.4511 7.2275 7.2275 7.4204 7.4204 7.5122 7.5122 10.5504 10.5504 11.6659 11.6659 k = 0.5000 0.2887 0.0157 ( 11982 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3977 -19.3977 -19.1910 -19.1910 -19.1238 -19.1238 -19.0988 -19.0988 -18.9085 -18.9085 -18.7701 -18.7701 -2.3985 -2.3985 -2.1597 -2.1597 -2.0600 -2.0600 -1.6821 -1.6821 -1.1835 -1.1835 -1.1423 -1.1423 -1.1295 -1.1295 -1.0407 -1.0407 -0.8182 -0.8182 -0.7619 -0.7619 -0.4571 -0.4571 -0.1986 -0.1986 0.0920 0.0920 0.1752 0.1752 0.2309 0.2309 0.3029 0.3029 0.4072 0.4072 0.4522 0.4522 7.2265 7.2265 7.4203 7.4203 7.5120 7.5120 10.5459 10.5459 11.6831 11.6831 k = 0.5000 0.2887-0.0000 ( 11982 PWs) bands (ev): -40.2428 -40.2428 -40.2352 -40.2352 -19.3979 -19.3979 -19.1905 -19.1905 -19.1235 -19.1235 -19.0993 -19.0993 -18.9087 -18.9087 -18.7698 -18.7698 -2.3990 -2.3990 -2.1579 -2.1579 -2.0597 -2.0597 -1.6803 -1.6803 -1.1820 -1.1820 -1.1436 -1.1436 -1.1307 -1.1307 -1.0423 -1.0423 -0.8182 -0.8182 -0.7634 -0.7634 -0.4576 -0.4576 -0.1990 -0.1990 0.0926 0.0926 0.1756 0.1756 0.2312 0.2312 0.3029 0.3029 0.4067 0.4067 0.4526 0.4526 7.2262 7.2262 7.4203 7.4203 7.5120 7.5120 10.5444 10.5444 11.6891 11.6891 k = 0.3333 0.5774-0.0000 ( 11907 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.3100 -19.3100 -19.2126 -19.2126 -19.2093 -19.2093 -19.0129 -19.0129 -18.9876 -18.9876 -18.7596 -18.7596 -2.2233 -2.2233 -2.2191 -2.2191 -1.7544 -1.7544 -1.6818 -1.6818 -1.6724 -1.6724 -1.5215 -1.5215 -1.0056 -1.0056 -0.9606 -0.9606 -0.6346 -0.6346 -0.5104 -0.5104 -0.5084 -0.5084 -0.1318 -0.1318 -0.0298 -0.0298 -0.0133 -0.0133 0.2388 0.2388 0.3957 0.3957 0.4119 0.4119 0.4374 0.4374 7.2460 7.2460 7.3796 7.3796 7.4519 7.4519 11.3597 11.3597 11.3602 11.3602 k = 0.3333 0.5774 0.0157 ( 11892 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.3085 -19.3085 -19.2082 -19.2082 -19.2052 -19.2052 -19.0175 -19.0175 -18.9921 -18.9921 -18.7613 -18.7613 -2.2021 -2.2021 -2.1979 -2.1979 -1.7450 -1.7450 -1.6754 -1.6754 -1.6664 -1.6664 -1.5193 -1.5193 -1.0192 -1.0192 -0.9748 -0.9748 -0.6480 -0.6480 -0.5278 -0.5278 -0.5254 -0.5254 -0.1308 -0.1308 -0.0338 -0.0338 -0.0184 -0.0184 0.2393 0.2393 0.3968 0.3968 0.4135 0.4135 0.4366 0.4366 7.2468 7.2468 7.3793 7.3793 7.4515 7.4515 11.4070 11.4070 11.4070 11.4070 k = 0.3333 0.5774 0.0314 ( 11898 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.3065 -19.3065 -19.2042 -19.2042 -19.2014 -19.2014 -19.0218 -19.0218 -18.9961 -18.9961 -18.7635 -18.7635 -2.1821 -2.1821 -2.1779 -2.1779 -1.7376 -1.7376 -1.6709 -1.6709 -1.6624 -1.6624 -1.5135 -1.5135 -1.0295 -1.0295 -0.9857 -0.9857 -0.6621 -0.6621 -0.5455 -0.5455 -0.5426 -0.5426 -0.1293 -0.1293 -0.0370 -0.0370 -0.0227 -0.0227 0.2389 0.2389 0.3978 0.3978 0.4153 0.4153 0.4353 0.4353 7.2484 7.2484 7.3790 7.3790 7.4512 7.4512 11.4528 11.4528 11.4534 11.4534 k = 0.3333 0.5774 0.0471 ( 11904 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.3042 -19.3042 -19.2005 -19.2005 -19.1980 -19.1980 -19.0257 -19.0257 -18.9997 -18.9997 -18.7661 -18.7661 -2.1637 -2.1637 -2.1594 -2.1594 -1.7320 -1.7320 -1.6684 -1.6684 -1.6605 -1.6605 -1.5045 -1.5045 -1.0363 -1.0363 -0.9932 -0.9932 -0.6767 -0.6767 -0.5633 -0.5633 -0.5600 -0.5600 -0.1272 -0.1272 -0.0395 -0.0395 -0.0262 -0.0262 0.2377 0.2377 0.3987 0.3987 0.4171 0.4171 0.4336 0.4336 7.2507 7.2507 7.3787 7.3787 7.4509 7.4509 11.4970 11.4970 11.4983 11.4983 k = 0.3333 0.5774 0.0629 ( 11898 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.3014 -19.3014 -19.1973 -19.1973 -19.1952 -19.1952 -19.0291 -19.0291 -19.0028 -19.0028 -18.7691 -18.7691 -2.1473 -2.1473 -2.1428 -2.1428 -1.7278 -1.7278 -1.6680 -1.6680 -1.6606 -1.6606 -1.4932 -1.4932 -1.0395 -1.0395 -0.9970 -0.9970 -0.6913 -0.6913 -0.5809 -0.5809 -0.5773 -0.5773 -0.1246 -0.1246 -0.0413 -0.0413 -0.0288 -0.0288 0.2356 0.2356 0.3993 0.3993 0.4190 0.4190 0.4316 0.4316 7.2537 7.2537 7.3783 7.3783 7.4507 7.4507 11.5389 11.5389 11.5402 11.5402 k = 0.3333 0.5774 0.0786 ( 11898 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2982 -19.2982 -19.1948 -19.1948 -19.1930 -19.1930 -19.0318 -19.0318 -19.0052 -19.0052 -18.7725 -18.7725 -2.1331 -2.1331 -2.1283 -2.1283 -1.7243 -1.7243 -1.6695 -1.6695 -1.6625 -1.6625 -1.4804 -1.4804 -1.0390 -1.0390 -0.9972 -0.9972 -0.7054 -0.7054 -0.5980 -0.5980 -0.5940 -0.5940 -0.1214 -0.1214 -0.0422 -0.0422 -0.0306 -0.0306 0.2324 0.2324 0.3995 0.3995 0.4208 0.4208 0.4295 0.4295 7.2574 7.2574 7.3780 7.3780 7.4506 7.4506 11.5711 11.5711 11.5777 11.5777 k = 0.3333 0.5774 0.0943 ( 11904 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2945 -19.2945 -19.1928 -19.1928 -19.1914 -19.1914 -19.0339 -19.0339 -19.0069 -19.0069 -18.7763 -18.7763 -2.1217 -2.1217 -2.1165 -2.1165 -1.7212 -1.7212 -1.6727 -1.6727 -1.6659 -1.6659 -1.4670 -1.4670 -1.0352 -1.0352 -0.9939 -0.9939 -0.7187 -0.7187 -0.6142 -0.6142 -0.6099 -0.6099 -0.1177 -0.1177 -0.0424 -0.0424 -0.0315 -0.0315 0.2280 0.2280 0.3989 0.3989 0.4224 0.4224 0.4274 0.4274 7.2617 7.2617 7.3777 7.3777 7.4506 7.4506 11.5878 11.5878 11.6124 11.6124 k = 0.3333 0.5774 0.1100 ( 11904 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2906 -19.2906 -19.1917 -19.1917 -19.1906 -19.1906 -19.0353 -19.0353 -19.0079 -19.0079 -18.7805 -18.7805 -2.1133 -2.1133 -2.1075 -2.1075 -1.7180 -1.7180 -1.6771 -1.6771 -1.6703 -1.6703 -1.4539 -1.4539 -1.0284 -1.0284 -0.9876 -0.9876 -0.7306 -0.7306 -0.6290 -0.6290 -0.6244 -0.6244 -0.1134 -0.1134 -0.0417 -0.0417 -0.0315 -0.0315 0.2225 0.2225 0.3973 0.3973 0.4239 0.4239 0.4255 0.4255 7.2666 7.2666 7.3774 7.3774 7.4506 7.4506 11.6045 11.6045 11.6420 11.6420 k = 0.3333 0.5774 0.1257 ( 11922 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2862 -19.2862 -19.1912 -19.1912 -19.1905 -19.1905 -19.0358 -19.0358 -19.0082 -19.0082 -18.7850 -18.7850 -2.1083 -2.1083 -2.1018 -2.1018 -1.7145 -1.7145 -1.6824 -1.6824 -1.6752 -1.6752 -1.4418 -1.4418 -1.0194 -1.0194 -0.9788 -0.9788 -0.7405 -0.7405 -0.6420 -0.6420 -0.6369 -0.6369 -0.1086 -0.1086 -0.0403 -0.0403 -0.0306 -0.0306 0.2157 0.2157 0.3946 0.3946 0.4238 0.4238 0.4250 0.4250 7.2721 7.2721 7.3771 7.3771 7.4508 7.4508 11.6229 11.6229 11.6657 11.6657 k = 0.3333 0.5774 0.1414 ( 11919 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2815 -19.2815 -19.1916 -19.1916 -19.1911 -19.1911 -19.0355 -19.0355 -19.0076 -19.0076 -18.7899 -18.7899 -2.1069 -2.1069 -2.0996 -2.0996 -1.7105 -1.7105 -1.6880 -1.6880 -1.6799 -1.6799 -1.4317 -1.4317 -1.0087 -1.0087 -0.9684 -0.9684 -0.7480 -0.7480 -0.6524 -0.6524 -0.6469 -0.6469 -0.1032 -0.1032 -0.0380 -0.0380 -0.0289 -0.0289 0.2076 0.2076 0.3908 0.3908 0.4224 0.4224 0.4258 0.4258 7.2781 7.2781 7.3768 7.3768 7.4512 7.4512 11.6432 11.6432 11.6827 11.6827 k = 0.3333 0.5774 0.1572 ( 11943 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2764 -19.2764 -19.1928 -19.1928 -19.1925 -19.1925 -19.0344 -19.0344 -19.0063 -19.0063 -18.7951 -18.7951 -2.1094 -2.1094 -2.1012 -2.1012 -1.7061 -1.7061 -1.6935 -1.6935 -1.6838 -1.6838 -1.4240 -1.4240 -0.9973 -0.9973 -0.9574 -0.9574 -0.7524 -0.7524 -0.6595 -0.6595 -0.6535 -0.6535 -0.0974 -0.0974 -0.0348 -0.0348 -0.0263 -0.0263 0.1981 0.1981 0.3859 0.3859 0.4211 0.4211 0.4262 0.4262 7.2846 7.2846 7.3765 7.3765 7.4516 7.4516 11.6653 11.6653 11.6925 11.6925 k = 0.3333 0.5774 0.1729 ( 11943 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2711 -19.2711 -19.1947 -19.1947 -19.1945 -19.1945 -19.0326 -19.0326 -19.0043 -19.0043 -18.8006 -18.8006 -2.1156 -2.1156 -2.1064 -2.1064 -1.7019 -1.7019 -1.6986 -1.6986 -1.6859 -1.6859 -1.4194 -1.4194 -0.9861 -0.9861 -0.9466 -0.9466 -0.7535 -0.7535 -0.6627 -0.6627 -0.6558 -0.6558 -0.0911 -0.0911 -0.0309 -0.0309 -0.0229 -0.0229 0.1872 0.1872 0.3800 0.3800 0.4197 0.4197 0.4260 0.4260 7.2914 7.2914 7.3763 7.3763 7.4523 7.4523 11.6879 11.6879 11.6949 11.6949 k = 0.3333 0.5774 0.1886 ( 11931 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2654 -19.2654 -19.1973 -19.1973 -19.1972 -19.1972 -19.0300 -19.0300 -19.0016 -19.0016 -18.8064 -18.8064 -2.1254 -2.1254 -2.1153 -2.1153 -1.7031 -1.7031 -1.6998 -1.6998 -1.6842 -1.6842 -1.4182 -1.4182 -0.9759 -0.9759 -0.9373 -0.9373 -0.7509 -0.7509 -0.6612 -0.6612 -0.6532 -0.6532 -0.0842 -0.0842 -0.0261 -0.0261 -0.0186 -0.0186 0.1748 0.1748 0.3734 0.3734 0.4181 0.4181 0.4254 0.4254 7.2986 7.2986 7.3760 7.3760 7.4531 7.4531 11.6902 11.6902 11.7014 11.7014 k = 0.3333 0.5774 0.2043 ( 11925 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2595 -19.2595 -19.2005 -19.2005 -19.2004 -19.2004 -19.0269 -19.0269 -18.9983 -18.9983 -18.8124 -18.8124 -2.1385 -2.1385 -2.1276 -2.1276 -1.7071 -1.7071 -1.7003 -1.7003 -1.6782 -1.6782 -1.4207 -1.4207 -0.9674 -0.9674 -0.9299 -0.9299 -0.7445 -0.7445 -0.6544 -0.6544 -0.6450 -0.6450 -0.0770 -0.0770 -0.0205 -0.0205 -0.0135 -0.0135 0.1610 0.1610 0.3660 0.3660 0.4161 0.4161 0.4241 0.4241 7.3059 7.3059 7.3758 7.3758 7.4541 7.4541 11.6788 11.6788 11.6945 11.6945 k = 0.3333 0.5774 0.2200 ( 11919 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2534 -19.2534 -19.2042 -19.2042 -19.2041 -19.2041 -19.0232 -19.0232 -18.9945 -18.9945 -18.8185 -18.8185 -2.1545 -2.1545 -2.1430 -2.1430 -1.7106 -1.7106 -1.7018 -1.7018 -1.6696 -1.6696 -1.4266 -1.4266 -0.9609 -0.9609 -0.9250 -0.9250 -0.7343 -0.7343 -0.6424 -0.6424 -0.6312 -0.6312 -0.0692 -0.0692 -0.0142 -0.0142 -0.0077 -0.0077 0.1458 0.1458 0.3580 0.3580 0.4136 0.4136 0.4222 0.4222 7.3135 7.3135 7.3757 7.3757 7.4553 7.4553 11.6612 11.6612 11.6785 11.6785 k = 0.3333 0.5774 0.2357 ( 11943 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2471 -19.2471 -19.2082 -19.2082 -19.2082 -19.2082 -19.0191 -19.0191 -18.9903 -18.9903 -18.8249 -18.8249 -2.1730 -2.1730 -2.1609 -2.1609 -1.7138 -1.7138 -1.7037 -1.7037 -1.6594 -1.6594 -1.4359 -1.4359 -0.9564 -0.9564 -0.9223 -0.9223 -0.7204 -0.7204 -0.6253 -0.6253 -0.6121 -0.6121 -0.0610 -0.0610 -0.0071 -0.0071 -0.0011 -0.0011 0.1290 0.1290 0.3495 0.3495 0.4106 0.4106 0.4195 0.4195 7.3210 7.3210 7.3755 7.3755 7.4568 7.4568 11.6384 11.6384 11.6566 11.6566 k = 0.3333 0.5774 0.2515 ( 11922 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2407 -19.2407 -19.2127 -19.2127 -19.2127 -19.2127 -19.0146 -19.0146 -18.9857 -18.9857 -18.8313 -18.8313 -2.1935 -2.1935 -2.1809 -2.1809 -1.7170 -1.7170 -1.7058 -1.7058 -1.6480 -1.6480 -1.4480 -1.4480 -0.9536 -0.9536 -0.9212 -0.9212 -0.7031 -0.7031 -0.6037 -0.6037 -0.5885 -0.5885 -0.0524 -0.0524 0.0007 0.0007 0.0062 0.0062 0.1109 0.1109 0.3405 0.3405 0.4069 0.4069 0.4162 0.4162 7.3286 7.3286 7.3754 7.3754 7.4585 7.4585 11.6111 11.6111 11.6297 11.6297 k = 0.3333 0.5774 0.2672 ( 11922 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2341 -19.2341 -19.2173 -19.2173 -19.2173 -19.2173 -19.0099 -19.0099 -18.9809 -18.9809 -18.8379 -18.8379 -2.2155 -2.2155 -2.2027 -2.2027 -1.7203 -1.7203 -1.7083 -1.7083 -1.6357 -1.6357 -1.4625 -1.4625 -0.9520 -0.9520 -0.9213 -0.9213 -0.6827 -0.6827 -0.5784 -0.5784 -0.5611 -0.5611 -0.0435 -0.0435 0.0092 0.0092 0.0142 0.0142 0.0914 0.0914 0.3309 0.3309 0.4025 0.4025 0.4121 0.4121 7.3360 7.3360 7.3753 7.3753 7.4604 7.4604 11.5800 11.5800 11.5990 11.5990 k = 0.3333 0.5774 0.2829 ( 11949 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2275 -19.2275 -19.2221 -19.2221 -19.2221 -19.2221 -19.0051 -19.0051 -18.9759 -18.9759 -18.8444 -18.8444 -2.2387 -2.2387 -2.2257 -2.2257 -1.7240 -1.7240 -1.7113 -1.7113 -1.6230 -1.6230 -1.4785 -1.4785 -0.9510 -0.9510 -0.9218 -0.9218 -0.6596 -0.6596 -0.5501 -0.5501 -0.5308 -0.5308 -0.0342 -0.0342 0.0182 0.0182 0.0228 0.0228 0.0706 0.0706 0.3210 0.3210 0.3974 0.3974 0.4073 0.4073 7.3432 7.3432 7.3753 7.3753 7.4627 7.4627 11.5458 11.5458 11.5649 11.5649 k = 0.3333 0.5774 0.2986 ( 11931 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2271 -19.2271 -19.2271 -19.2271 -19.2209 -19.2209 -19.0001 -19.0001 -18.9707 -18.9707 -18.8509 -18.8509 -2.2627 -2.2627 -2.2497 -2.2497 -1.7282 -1.7282 -1.7150 -1.7150 -1.6107 -1.6107 -1.4946 -1.4946 -0.9501 -0.9501 -0.9223 -0.9223 -0.6343 -0.6343 -0.5196 -0.5196 -0.4983 -0.4983 -0.0246 -0.0246 0.0272 0.0272 0.0320 0.0320 0.0492 0.0492 0.3107 0.3107 0.3915 0.3915 0.4016 0.4016 7.3501 7.3501 7.3753 7.3753 7.4652 7.4652 11.5092 11.5092 11.5284 11.5284 k = 0.3333 0.5774 0.3143 ( 11949 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2321 -19.2321 -19.2321 -19.2321 -19.2144 -19.2144 -18.9950 -18.9950 -18.9655 -18.9655 -18.8573 -18.8573 -2.2871 -2.2871 -2.2742 -2.2742 -1.7329 -1.7329 -1.7195 -1.7195 -1.6008 -1.6008 -1.5087 -1.5087 -0.9490 -0.9490 -0.9224 -0.9224 -0.6073 -0.6073 -0.4875 -0.4875 -0.4642 -0.4642 -0.0152 -0.0152 0.0228 0.0228 0.0410 0.0410 0.0416 0.0416 0.3000 0.3000 0.3848 0.3848 0.3952 0.3952 7.3566 7.3566 7.3753 7.3753 7.4679 7.4679 11.4707 11.4707 11.4898 11.4898 k = 0.3333 0.5774 0.3300 ( 11931 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2371 -19.2371 -19.2371 -19.2371 -19.2080 -19.2080 -18.9900 -18.9900 -18.9602 -18.9602 -18.8635 -18.8635 -2.3118 -2.3118 -2.2990 -2.2990 -1.7384 -1.7384 -1.7247 -1.7247 -1.5975 -1.5975 -1.5161 -1.5161 -0.9474 -0.9474 -0.9217 -0.9217 -0.5789 -0.5789 -0.4543 -0.4543 -0.4291 -0.4291 -0.0106 -0.0106 0.0048 0.0048 0.0507 0.0507 0.0518 0.0518 0.2890 0.2890 0.3773 0.3773 0.3879 0.3879 7.3627 7.3627 7.3753 7.3753 7.4710 7.4710 11.4307 11.4307 11.4498 11.4498 k = 0.3333 0.5774 0.3457 ( 11937 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2421 -19.2421 -19.2421 -19.2421 -19.2017 -19.2017 -18.9850 -18.9850 -18.9549 -18.9549 -18.8694 -18.8694 -2.3365 -2.3365 -2.3239 -2.3239 -1.7445 -1.7445 -1.7306 -1.7306 -1.6046 -1.6046 -1.5127 -1.5127 -0.9449 -0.9449 -0.9202 -0.9202 -0.5495 -0.5495 -0.4204 -0.4204 -0.3934 -0.3934 -0.0302 -0.0302 0.0092 0.0092 0.0620 0.0620 0.0624 0.0624 0.2778 0.2778 0.3691 0.3691 0.3799 0.3799 7.3684 7.3684 7.3753 7.3753 7.4742 7.4742 11.3897 11.3897 11.4087 11.4087 k = 0.3333 0.5774 0.3615 ( 11937 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2470 -19.2470 -19.2470 -19.2470 -19.1958 -19.1958 -18.9801 -18.9801 -18.9497 -18.9497 -18.8750 -18.8750 -2.3609 -2.3609 -2.3485 -2.3485 -1.7512 -1.7512 -1.7373 -1.7373 -1.6203 -1.6203 -1.5003 -1.5003 -0.9416 -0.9416 -0.9177 -0.9177 -0.5195 -0.5195 -0.3864 -0.3864 -0.3575 -0.3575 -0.0566 -0.0566 0.0194 0.0194 0.0734 0.0734 0.0739 0.0739 0.2663 0.2663 0.3601 0.3601 0.3711 0.3711 7.3735 7.3735 7.3754 7.3754 7.4776 7.4776 11.3481 11.3481 11.3669 11.3669 k = 0.3333 0.5774 0.3772 ( 11937 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2518 -19.2518 -19.2518 -19.2518 -19.1902 -19.1902 -18.9754 -18.9754 -18.9446 -18.9446 -18.8801 -18.8801 -2.3849 -2.3849 -2.3728 -2.3728 -1.7584 -1.7584 -1.7445 -1.7445 -1.6404 -1.6404 -1.4826 -1.4826 -0.9374 -0.9374 -0.9142 -0.9142 -0.4894 -0.4894 -0.3526 -0.3526 -0.3218 -0.3218 -0.0844 -0.0844 0.0304 0.0304 0.0847 0.0847 0.0863 0.0863 0.2546 0.2546 0.3503 0.3503 0.3616 0.3616 7.3755 7.3755 7.3780 7.3780 7.4811 7.4811 11.3061 11.3061 11.3247 11.3247 k = 0.3333 0.5774 0.3929 ( 11937 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2565 -19.2565 -19.2565 -19.2565 -19.1851 -19.1851 -18.9709 -18.9709 -18.9395 -18.9395 -18.8847 -18.8847 -2.4083 -2.4083 -2.3965 -2.3965 -1.7662 -1.7662 -1.7524 -1.7524 -1.6625 -1.6625 -1.4619 -1.4619 -0.9321 -0.9321 -0.9097 -0.9097 -0.4596 -0.4596 -0.3194 -0.3194 -0.2866 -0.2866 -0.1127 -0.1127 0.0417 0.0417 0.0963 0.0963 0.0990 0.0990 0.2427 0.2427 0.3398 0.3398 0.3514 0.3514 7.3756 7.3756 7.3821 7.3821 7.4846 7.4846 11.2641 11.2641 11.2825 11.2825 k = 0.3333 0.5774 0.4086 ( 11943 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2610 -19.2610 -19.2610 -19.2610 -19.1806 -19.1806 -18.9666 -18.9666 -18.9347 -18.9347 -18.8886 -18.8886 -2.4310 -2.4310 -2.4196 -2.4196 -1.7744 -1.7744 -1.7606 -1.7606 -1.6854 -1.6854 -1.4393 -1.4393 -0.9259 -0.9259 -0.9041 -0.9041 -0.4307 -0.4307 -0.2872 -0.2872 -0.2522 -0.2522 -0.1410 -0.1410 0.0532 0.0532 0.1081 0.1081 0.1122 0.1122 0.2308 0.2308 0.3287 0.3287 0.3407 0.3407 7.3757 7.3757 7.3856 7.3856 7.4880 7.4880 11.2224 11.2224 11.2405 11.2405 k = 0.3333 0.5774 0.4243 ( 11949 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2654 -19.2654 -19.2654 -19.2654 -19.1767 -19.1767 -18.9625 -18.9625 -18.9300 -18.9300 -18.8918 -18.8918 -2.4529 -2.4529 -2.4418 -2.4418 -1.7828 -1.7828 -1.7692 -1.7692 -1.7086 -1.7086 -1.4153 -1.4153 -0.9188 -0.9188 -0.8975 -0.8975 -0.4036 -0.4036 -0.2571 -0.2571 -0.2190 -0.2190 -0.1677 -0.1677 0.0648 0.0648 0.1200 0.1200 0.1256 0.1256 0.2188 0.2188 0.3170 0.3170 0.3294 0.3294 7.3758 7.3758 7.3887 7.3887 7.4913 7.4913 11.1812 11.1812 11.1990 11.1990 k = 0.3333 0.5774 0.4400 ( 11955 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2695 -19.2695 -19.2695 -19.2695 -19.1736 -19.1736 -18.9587 -18.9587 -18.9255 -18.9255 -18.8942 -18.8942 -2.4738 -2.4738 -2.4631 -2.4631 -1.7914 -1.7914 -1.7780 -1.7780 -1.7316 -1.7316 -1.3901 -1.3901 -0.9108 -0.9108 -0.8900 -0.8900 -0.3802 -0.3802 -0.2323 -0.2323 -0.1879 -0.1879 -0.1872 -0.1872 0.0764 0.0764 0.1320 0.1320 0.1393 0.1393 0.2070 0.2070 0.3048 0.3048 0.3179 0.3179 7.3760 7.3760 7.3913 7.3913 7.4942 7.4942 11.1407 11.1407 11.1582 11.1582 k = 0.3333 0.5774 0.4558 ( 11955 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2734 -19.2734 -19.2734 -19.2734 -19.1713 -19.1713 -18.9551 -18.9551 -18.9212 -18.9212 -18.8957 -18.8957 -2.4937 -2.4937 -2.4833 -2.4833 -1.8001 -1.8001 -1.7870 -1.7870 -1.7542 -1.7542 -1.3639 -1.3639 -0.9020 -0.9020 -0.8817 -0.8817 -0.3645 -0.3645 -0.2269 -0.2269 -0.1842 -0.1842 -0.1573 -0.1573 0.0877 0.0877 0.1439 0.1439 0.1531 0.1531 0.1954 0.1954 0.2924 0.2924 0.3063 0.3063 7.3761 7.3761 7.3935 7.3935 7.4969 7.4969 11.1011 11.1011 11.1183 11.1183 k = 0.3333 0.5774 0.4715 ( 11961 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2771 -19.2771 -19.2771 -19.2771 -19.1698 -19.1698 -18.9518 -18.9518 -18.9172 -18.9172 -18.8963 -18.8963 -2.5125 -2.5125 -2.5025 -2.5025 -1.8088 -1.8088 -1.7959 -1.7959 -1.7763 -1.7763 -1.3369 -1.3369 -0.8924 -0.8924 -0.8725 -0.8725 -0.3624 -0.3624 -0.2293 -0.2293 -0.1624 -0.1624 -0.1295 -0.1295 0.0986 0.0986 0.1554 0.1554 0.1666 0.1666 0.1844 0.1844 0.2801 0.2801 0.2951 0.2951 7.3762 7.3762 7.3953 7.3953 7.4990 7.4990 11.0627 11.0627 11.0796 11.0796 k = 0.3333 0.5774 0.4872 ( 11949 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2806 -19.2806 -19.2805 -19.2805 -19.1693 -19.1693 -18.9487 -18.9487 -18.9134 -18.9134 -18.8960 -18.8960 -2.5301 -2.5301 -2.5204 -2.5204 -1.8173 -1.8173 -1.8050 -1.8050 -1.7973 -1.7973 -1.3092 -1.3092 -0.8822 -0.8822 -0.8626 -0.8626 -0.3763 -0.3763 -0.2208 -0.2208 -0.1392 -0.1392 -0.1042 -0.1042 0.1082 0.1082 0.1661 0.1661 0.1746 0.1746 0.1796 0.1796 0.2685 0.2685 0.2849 0.2849 7.3764 7.3764 7.3967 7.3967 7.5008 7.5008 11.0257 11.0257 11.0421 11.0421 k = 0.3333 0.5774 0.5029 ( 11955 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2838 -19.2838 -19.2837 -19.2837 -19.1698 -19.1698 -18.9457 -18.9457 -18.9100 -18.9100 -18.8949 -18.8949 -2.5464 -2.5464 -2.5371 -2.5371 -1.8256 -1.8256 -1.8192 -1.8192 -1.8121 -1.8121 -1.2809 -1.2809 -0.8714 -0.8714 -0.8521 -0.8521 -0.4015 -0.4015 -0.2035 -0.2035 -0.1174 -0.1174 -0.0817 -0.0817 0.1152 0.1152 0.1677 0.1677 0.1752 0.1752 0.1907 0.1907 0.2589 0.2589 0.2766 0.2766 7.3765 7.3765 7.3977 7.3977 7.5019 7.5019 10.9901 10.9901 11.0061 11.0061 k = 0.3333 0.5774 0.5186 ( 11940 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2867 -19.2867 -19.2865 -19.2865 -19.1711 -19.1711 -18.9427 -18.9427 -18.9068 -18.9068 -18.8931 -18.8931 -2.5614 -2.5614 -2.5524 -2.5524 -1.8385 -1.8385 -1.8336 -1.8336 -1.8207 -1.8207 -1.2521 -1.2521 -0.8601 -0.8601 -0.8411 -0.8411 -0.4326 -0.4326 -0.1823 -0.1823 -0.0979 -0.0979 -0.0626 -0.0626 0.1170 0.1170 0.1660 0.1660 0.1815 0.1815 0.1975 0.1975 0.2540 0.2540 0.2718 0.2718 7.3767 7.3767 7.3984 7.3984 7.5026 7.5026 10.9562 10.9562 10.9718 10.9718 k = 0.3333 0.5774 0.5343 ( 11934 PWs) bands (ev): -40.2390 -40.2390 -40.2390 -40.2390 -19.2893 -19.2893 -19.2891 -19.2891 -19.1734 -19.1734 -18.9399 -18.9399 -18.9039 -18.9039 -18.8906 -18.8906 -2.5750 -2.5750 -2.5664 -2.5664 -1.8571 -1.8571 -1.8411 -1.8411 -1.8284 -1.8284 -1.2229 -1.2229 -0.8483 -0.8483 -0.8295 -0.8295 -0.4669 -0.4669 -0.1602 -0.1602 -0.0809 -0.0809 -0.0471 -0.0471 0.1127 0.1127 0.1704 0.1704 0.1838 0.1838 0.1973 0.1973 0.2567 0.2567 0.2717 0.2717 7.3768 7.3768 7.3986 7.3986 7.5026 7.5026 10.9242 10.9242 10.9393 10.9393 Writing output data file Li2ZrF6.save init_run : 0.14s CPU 0.28s WALL ( 1 calls) electrons : 285.69s CPU 291.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 285.68s CPU 291.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.16s WALL ( 315 calls) cegterg : 253.45s CPU 257.88s WALL ( 368 calls) Called by sum_band: Called by *egterg: h_psi : 182.09s CPU 184.94s WALL ( 6144 calls) s_psi : 8.52s CPU 8.47s WALL ( 6144 calls) g_psi : 0.66s CPU 0.64s WALL ( 5461 calls) cdiaghg : 48.30s CPU 48.92s WALL ( 5776 calls) cegterg:over : 15.34s CPU 15.34s WALL ( 5461 calls) cegterg:upda : 14.10s CPU 14.16s WALL ( 5461 calls) cegterg:last : 7.80s CPU 7.80s WALL ( 998 calls) cdiaghg:chol : 2.70s CPU 2.87s WALL ( 5776 calls) cdiaghg:inve : 2.06s CPU 1.98s WALL ( 5776 calls) cdiaghg:para : 3.09s CPU 3.27s WALL ( 11552 calls) Called by h_psi: h_psi:vloc : 167.11s CPU 169.41s WALL ( 6144 calls) h_psi:vnl : 14.34s CPU 14.88s WALL ( 6144 calls) add_vuspsi : 5.90s CPU 6.20s WALL ( 6144 calls) General routines calbec : 8.42s CPU 8.66s WALL ( 6144 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 158.41s CPU 160.88s WALL ( 782200 calls) davcio : 0.19s CPU 0.36s WALL ( 630 calls) Parallel routines fft_scatter : 50.17s CPU 50.28s WALL ( 782215 calls) PWSCF : 5m20.88s CPU 5m54.13s WALL This run was terminated on: 18: 8: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=