Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:34:54 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: ./CaxCdPx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per 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 80 23 6 5695 863 138 Max 82 24 8 5704 894 145 Sum 2893 835 253 205211 31743 5095 bravais-lattice index = 14 lattice parameter (alat) = 8.0824 a.u. unit-cell volume = 751.6622 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.082358 celldm(2)= 1.000000 celldm(3)= 1.643909 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.643909 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.608306 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Ca 10.00 40.07800 Ca( 1.00) P 5.00 30.97380 P( 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 [1,0,0] 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 [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 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 [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 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 [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group 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 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -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 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0032051 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0032051 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0032051 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0032051 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0032051 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0032051 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0032051 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0032051 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0032051 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0032051 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0032051 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0032051 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0032051 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0032051 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0032051 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0032051 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0032051 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0032051 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0032051 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0032051 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0032051 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0032051 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0032051 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0032051 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0032051 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0032051 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0032051 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0032051 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0032051 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0032051 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0032051 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0032051 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0032051 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0032051 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0032051 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0032051 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0032051 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032051 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0032051 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0032051 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0032051 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0032051 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032051 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0032051 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0032051 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0032051 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0032051 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0032051 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 72) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0032051 k( 73) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0032051 k( 74) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0032051 k( 75) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0032051 k( 77) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0032051 k( 78) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0032051 k( 79) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0032051 k( 80) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0032051 k( 81) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0032051 k( 82) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0032051 k( 83) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0032051 k( 84) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0032051 k( 85) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0032051 k( 86) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0032051 k( 87) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0032051 k( 88) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0032051 k( 89) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0032051 k( 90) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0032051 k( 91) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0032051 k( 92) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0032051 k( 93) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0032051 k( 94) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0032051 k( 95) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0032051 k( 96) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0032051 k( 97) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0032051 k( 98) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0032051 k( 99) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0032051 k( 100) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0032051 k( 101) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0032051 k( 102) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0032051 k( 103) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0032051 k( 104) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0032051 k( 105) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0032051 k( 106) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0032051 k( 107) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0032051 k( 108) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0032051 k( 109) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0032051 k( 111) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0032051 k( 112) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0032051 k( 113) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0032051 k( 115) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0032051 k( 116) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0032051 k( 118) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.0132240), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.0264481), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.0396721), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.0528962), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.0661202), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.0793443), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.0925683), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.1057924), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.1190164), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.1322404), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.1454645), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.1586885), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.1719126), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.1851366), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.1983607), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.2115847), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.2248088), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.2380328), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.2512569), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.2644809), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.2777049), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.2909290), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.3041530), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.3041530), wk = 0.0032051 k( 146) = ( 0.0116279 0.0067134 0.3041530), wk = 0.0032051 k( 147) = ( 0.0232558 0.0134267 0.3041530), wk = 0.0032051 k( 148) = ( 0.0348837 0.0201401 0.3041530), wk = 0.0032051 k( 149) = ( 0.0465116 0.0268535 0.3041530), wk = 0.0032051 k( 150) = ( 0.0581395 0.0335669 0.3041530), wk = 0.0032051 k( 151) = ( 0.0697674 0.0402803 0.3041530), wk = 0.0032051 k( 152) = ( 0.0813954 0.0469936 0.3041530), wk = 0.0032051 k( 153) = ( 0.0930233 0.0537070 0.3041530), wk = 0.0032051 k( 154) = ( 0.1046512 0.0604204 0.3041530), wk = 0.0032051 k( 155) = ( 0.1162791 0.0671338 0.3041530), wk = 0.0032051 k( 156) = ( 0.1279070 0.0738471 0.3041530), wk = 0.0032051 k( 157) = ( 0.1395349 0.0805605 0.3041530), wk = 0.0032051 k( 158) = ( 0.1511628 0.0872739 0.3041530), wk = 0.0032051 k( 159) = ( 0.1627907 0.0939873 0.3041530), wk = 0.0032051 k( 160) = ( 0.1744186 0.1007006 0.3041530), wk = 0.0032051 k( 161) = ( 0.1860465 0.1074140 0.3041530), wk = 0.0032051 k( 162) = ( 0.1976744 0.1141274 0.3041530), wk = 0.0032051 k( 163) = ( 0.2093023 0.1208408 0.3041530), wk = 0.0032051 k( 164) = ( 0.2209302 0.1275541 0.3041530), wk = 0.0032051 k( 165) = ( 0.2325581 0.1342675 0.3041530), wk = 0.0032051 k( 166) = ( 0.2441860 0.1409809 0.3041530), wk = 0.0032051 k( 167) = ( 0.2558140 0.1476943 0.3041530), wk = 0.0032051 k( 168) = ( 0.2674419 0.1544076 0.3041530), wk = 0.0032051 k( 169) = ( 0.2790698 0.1611210 0.3041530), wk = 0.0032051 k( 170) = ( 0.2906977 0.1678344 0.3041530), wk = 0.0032051 k( 171) = ( 0.3023256 0.1745478 0.3041530), wk = 0.0032051 k( 172) = ( 0.3139535 0.1812611 0.3041530), wk = 0.0032051 k( 173) = ( 0.3255814 0.1879745 0.3041530), wk = 0.0032051 k( 174) = ( 0.3372093 0.1946879 0.3041530), wk = 0.0032051 k( 175) = ( 0.3488372 0.2014013 0.3041530), wk = 0.0032051 k( 176) = ( 0.3604651 0.2081146 0.3041530), wk = 0.0032051 k( 177) = ( 0.3720930 0.2148280 0.3041530), wk = 0.0032051 k( 178) = ( 0.3837209 0.2215414 0.3041530), wk = 0.0032051 k( 179) = ( 0.3953488 0.2282548 0.3041530), wk = 0.0032051 k( 180) = ( 0.4069767 0.2349681 0.3041530), wk = 0.0032051 k( 181) = ( 0.4186047 0.2416815 0.3041530), wk = 0.0032051 k( 182) = ( 0.4302326 0.2483949 0.3041530), wk = 0.0032051 k( 183) = ( 0.4418605 0.2551083 0.3041530), wk = 0.0032051 k( 184) = ( 0.4534884 0.2618216 0.3041530), wk = 0.0032051 k( 185) = ( 0.4651163 0.2685350 0.3041530), wk = 0.0032051 k( 186) = ( 0.4767442 0.2752484 0.3041530), wk = 0.0032051 k( 187) = ( 0.4883721 0.2819618 0.3041530), wk = 0.0032051 k( 188) = ( 0.5000000 0.2886751 0.3041530), wk = 0.0032051 k( 189) = ( 0.5000000 0.2886751 0.3041530), wk = 0.0032051 k( 190) = ( 0.4933333 0.3002221 0.3041530), wk = 0.0032051 k( 191) = ( 0.4866667 0.3117692 0.3041530), wk = 0.0032051 k( 192) = ( 0.4800000 0.3233162 0.3041530), wk = 0.0032051 k( 193) = ( 0.4733333 0.3348632 0.3041530), wk = 0.0032051 k( 194) = ( 0.4666667 0.3464102 0.3041530), wk = 0.0032051 k( 195) = ( 0.4600000 0.3579572 0.3041530), wk = 0.0032051 k( 196) = ( 0.4533333 0.3695042 0.3041530), wk = 0.0032051 k( 197) = ( 0.4466667 0.3810512 0.3041530), wk = 0.0032051 k( 198) = ( 0.4400000 0.3925982 0.3041530), wk = 0.0032051 k( 199) = ( 0.4333333 0.4041452 0.3041530), wk = 0.0032051 k( 200) = ( 0.4266667 0.4156922 0.3041530), wk = 0.0032051 k( 201) = ( 0.4200000 0.4272392 0.3041530), wk = 0.0032051 k( 202) = ( 0.4133333 0.4387862 0.3041530), wk = 0.0032051 k( 203) = ( 0.4066667 0.4503332 0.3041530), wk = 0.0032051 k( 204) = ( 0.4000000 0.4618802 0.3041530), wk = 0.0032051 k( 205) = ( 0.3933333 0.4734272 0.3041530), wk = 0.0032051 k( 206) = ( 0.3866667 0.4849742 0.3041530), wk = 0.0032051 k( 207) = ( 0.3800000 0.4965212 0.3041530), wk = 0.0032051 k( 208) = ( 0.3733333 0.5080682 0.3041530), wk = 0.0032051 k( 209) = ( 0.3666667 0.5196152 0.3041530), wk = 0.0032051 k( 210) = ( 0.3600000 0.5311622 0.3041530), wk = 0.0032051 k( 211) = ( 0.3533333 0.5427092 0.3041530), wk = 0.0032051 k( 212) = ( 0.3466667 0.5542563 0.3041530), wk = 0.0032051 k( 213) = ( 0.3400000 0.5658033 0.3041530), wk = 0.0032051 k( 214) = ( 0.3333333 0.5773503 0.3041530), wk = 0.0032051 k( 215) = ( 0.3333333 0.5773503 0.3041530), wk = 0.0032051 k( 216) = ( 0.3265306 0.5655676 0.3041530), wk = 0.0032051 k( 217) = ( 0.3197279 0.5537850 0.3041530), wk = 0.0032051 k( 218) = ( 0.3129252 0.5420023 0.3041530), wk = 0.0032051 k( 219) = ( 0.3061224 0.5302196 0.3041530), wk = 0.0032051 k( 220) = ( 0.2993197 0.5184370 0.3041530), wk = 0.0032051 k( 221) = ( 0.2925170 0.5066543 0.3041530), wk = 0.0032051 k( 222) = ( 0.2857143 0.4948717 0.3041530), wk = 0.0032051 k( 223) = ( 0.2789116 0.4830890 0.3041530), wk = 0.0032051 k( 224) = ( 0.2721088 0.4713063 0.3041530), wk = 0.0032051 k( 225) = ( 0.2653061 0.4595237 0.3041530), wk = 0.0032051 k( 226) = ( 0.2585034 0.4477410 0.3041530), wk = 0.0032051 k( 227) = ( 0.2517007 0.4359584 0.3041530), wk = 0.0032051 k( 228) = ( 0.2448980 0.4241757 0.3041530), wk = 0.0032051 k( 229) = ( 0.2380952 0.4123931 0.3041530), wk = 0.0032051 k( 230) = ( 0.2312925 0.4006104 0.3041530), wk = 0.0032051 k( 231) = ( 0.2244898 0.3888277 0.3041530), wk = 0.0032051 k( 232) = ( 0.2176871 0.3770451 0.3041530), wk = 0.0032051 k( 233) = ( 0.2108843 0.3652624 0.3041530), wk = 0.0032051 k( 234) = ( 0.2040816 0.3534798 0.3041530), wk = 0.0032051 k( 235) = ( 0.1972789 0.3416971 0.3041530), wk = 0.0032051 k( 236) = ( 0.1904762 0.3299144 0.3041530), wk = 0.0032051 k( 237) = ( 0.1836735 0.3181318 0.3041530), wk = 0.0032051 k( 238) = ( 0.1768707 0.3063491 0.3041530), wk = 0.0032051 k( 239) = ( 0.1700680 0.2945665 0.3041530), wk = 0.0032051 k( 240) = ( 0.1632653 0.2827838 0.3041530), wk = 0.0032051 k( 241) = ( 0.1564626 0.2710012 0.3041530), wk = 0.0032051 k( 242) = ( 0.1496599 0.2592185 0.3041530), wk = 0.0032051 k( 243) = ( 0.1428571 0.2474358 0.3041530), wk = 0.0032051 k( 244) = ( 0.1360544 0.2356532 0.3041530), wk = 0.0032051 k( 245) = ( 0.1292517 0.2238705 0.3041530), wk = 0.0032051 k( 246) = ( 0.1224490 0.2120879 0.3041530), wk = 0.0032051 k( 247) = ( 0.1156463 0.2003052 0.3041530), wk = 0.0032051 k( 248) = ( 0.1088435 0.1885225 0.3041530), wk = 0.0032051 k( 249) = ( 0.1020408 0.1767399 0.3041530), wk = 0.0032051 k( 250) = ( 0.0952381 0.1649572 0.3041530), wk = 0.0032051 k( 251) = ( 0.0884354 0.1531746 0.3041530), wk = 0.0032051 k( 252) = ( 0.0816327 0.1413919 0.3041530), wk = 0.0032051 k( 253) = ( 0.0748299 0.1296092 0.3041530), wk = 0.0032051 k( 254) = ( 0.0680272 0.1178266 0.3041530), wk = 0.0032051 k( 255) = ( 0.0612245 0.1060439 0.3041530), wk = 0.0032051 k( 256) = ( 0.0544218 0.0942613 0.3041530), wk = 0.0032051 k( 257) = ( 0.0476191 0.0824786 0.3041530), wk = 0.0032051 k( 258) = ( 0.0408163 0.0706960 0.3041530), wk = 0.0032051 k( 259) = ( 0.0340136 0.0589133 0.3041530), wk = 0.0032051 k( 260) = ( 0.0272109 0.0471306 0.3041530), wk = 0.0032051 k( 261) = ( 0.0204082 0.0353480 0.3041530), wk = 0.0032051 k( 262) = ( 0.0136054 0.0235653 0.3041530), wk = 0.0032051 k( 263) = ( 0.0068027 0.0117827 0.3041530), wk = 0.0032051 k( 264) = ( 0.0000000 0.0000000 0.3041530), wk = 0.0032051 k( 265) = ( 0.5000000 0.2886751 0.3041530), wk = 0.0032051 k( 266) = ( 0.5000000 0.2886751 0.2909290), wk = 0.0032051 k( 267) = ( 0.5000000 0.2886751 0.2777049), wk = 0.0032051 k( 268) = ( 0.5000000 0.2886751 0.2644809), wk = 0.0032051 k( 269) = ( 0.5000000 0.2886751 0.2512569), wk = 0.0032051 k( 270) = ( 0.5000000 0.2886751 0.2380328), wk = 0.0032051 k( 271) = ( 0.5000000 0.2886751 0.2248088), wk = 0.0032051 k( 272) = ( 0.5000000 0.2886751 0.2115847), wk = 0.0032051 k( 273) = ( 0.5000000 0.2886751 0.1983607), wk = 0.0032051 k( 274) = ( 0.5000000 0.2886751 0.1851366), wk = 0.0032051 k( 275) = ( 0.5000000 0.2886751 0.1719126), wk = 0.0032051 k( 276) = ( 0.5000000 0.2886751 0.1586885), wk = 0.0032051 k( 277) = ( 0.5000000 0.2886751 0.1454645), wk = 0.0032051 k( 278) = ( 0.5000000 0.2886751 0.1322404), wk = 0.0032051 k( 279) = ( 0.5000000 0.2886751 0.1190164), wk = 0.0032051 k( 280) = ( 0.5000000 0.2886751 0.1057924), wk = 0.0032051 k( 281) = ( 0.5000000 0.2886751 0.0925683), wk = 0.0032051 k( 282) = ( 0.5000000 0.2886751 0.0793443), wk = 0.0032051 k( 283) = ( 0.5000000 0.2886751 0.0661202), wk = 0.0032051 k( 284) = ( 0.5000000 0.2886751 0.0528962), wk = 0.0032051 k( 285) = ( 0.5000000 0.2886751 0.0396721), wk = 0.0032051 k( 286) = ( 0.5000000 0.2886751 0.0264481), wk = 0.0032051 k( 287) = ( 0.5000000 0.2886751 0.0132240), wk = 0.0032051 k( 288) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 289) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 290) = ( 0.3333333 0.5773503 0.0132240), wk = 0.0032051 k( 291) = ( 0.3333333 0.5773503 0.0264481), wk = 0.0032051 k( 292) = ( 0.3333333 0.5773503 0.0396721), wk = 0.0032051 k( 293) = ( 0.3333333 0.5773503 0.0528962), wk = 0.0032051 k( 294) = ( 0.3333333 0.5773503 0.0661202), wk = 0.0032051 k( 295) = ( 0.3333333 0.5773503 0.0793443), wk = 0.0032051 k( 296) = ( 0.3333333 0.5773503 0.0925683), wk = 0.0032051 k( 297) = ( 0.3333333 0.5773503 0.1057924), wk = 0.0032051 k( 298) = ( 0.3333333 0.5773503 0.1190164), wk = 0.0032051 k( 299) = ( 0.3333333 0.5773503 0.1322404), wk = 0.0032051 k( 300) = ( 0.3333333 0.5773503 0.1454645), wk = 0.0032051 k( 301) = ( 0.3333333 0.5773503 0.1586885), wk = 0.0032051 k( 302) = ( 0.3333333 0.5773503 0.1719126), wk = 0.0032051 k( 303) = ( 0.3333333 0.5773503 0.1851366), wk = 0.0032051 k( 304) = ( 0.3333333 0.5773503 0.1983607), wk = 0.0032051 k( 305) = ( 0.3333333 0.5773503 0.2115847), wk = 0.0032051 k( 306) = ( 0.3333333 0.5773503 0.2248088), wk = 0.0032051 k( 307) = ( 0.3333333 0.5773503 0.2380328), wk = 0.0032051 k( 308) = ( 0.3333333 0.5773503 0.2512569), wk = 0.0032051 k( 309) = ( 0.3333333 0.5773503 0.2644809), wk = 0.0032051 k( 310) = ( 0.3333333 0.5773503 0.2777049), wk = 0.0032051 k( 311) = ( 0.3333333 0.5773503 0.2909290), wk = 0.0032051 k( 312) = ( 0.3333333 0.5773503 0.3041530), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0232558 -0.0000000 0.0000000), wk = 0.0032051 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0032051 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0032051 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0032051 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0032051 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0032051 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0032051 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0032051 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0032051 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0032051 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0032051 k( 17) = ( 0.1860465 -0.0000000 0.0000000), wk = 0.0032051 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0032051 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0032051 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0032051 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0032051 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0032051 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0032051 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0032051 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0032051 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0032051 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0032051 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0032051 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0032051 k( 31) = ( 0.3488372 -0.0000000 0.0000000), wk = 0.0032051 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0032051 k( 33) = ( 0.3720930 -0.0000000 0.0000000), wk = 0.0032051 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0032051 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0032051 k( 36) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0032051 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0032051 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0032051 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0032051 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0032051 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0032051 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0032051 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0032051 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0032051 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0032051 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0032051 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0032051 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0032051 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0032051 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0032051 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0032051 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0032051 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0032051 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0032051 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0032051 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0032051 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0032051 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0032051 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0032051 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0032051 k( 67) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032051 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032051 k( 72) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0032051 k( 73) = ( 0.3197279 0.3197279 -0.0000000), wk = 0.0032051 k( 74) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0032051 k( 75) = ( 0.3061224 0.3061225 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2993197 0.2993197 -0.0000000), wk = 0.0032051 k( 77) = ( 0.2925170 0.2925170 0.0000000), wk = 0.0032051 k( 78) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032051 k( 79) = ( 0.2789116 0.2789116 -0.0000000), wk = 0.0032051 k( 80) = ( 0.2721088 0.2721088 -0.0000000), wk = 0.0032051 k( 81) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0032051 k( 82) = ( 0.2585034 0.2585034 -0.0000000), wk = 0.0032051 k( 83) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0032051 k( 84) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0032051 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0032051 k( 86) = ( 0.2312925 0.2312925 -0.0000000), wk = 0.0032051 k( 87) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0032051 k( 88) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0032051 k( 89) = ( 0.2108843 0.2108844 -0.0000000), wk = 0.0032051 k( 90) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0032051 k( 91) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0032051 k( 92) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0032051 k( 93) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0032051 k( 94) = ( 0.1768707 0.1768707 -0.0000000), wk = 0.0032051 k( 95) = ( 0.1700680 0.1700680 -0.0000000), wk = 0.0032051 k( 96) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0032051 k( 97) = ( 0.1564626 0.1564626 -0.0000000), wk = 0.0032051 k( 98) = ( 0.1496599 0.1496599 -0.0000000), wk = 0.0032051 k( 99) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032051 k( 100) = ( 0.1360544 0.1360544 -0.0000000), wk = 0.0032051 k( 101) = ( 0.1292517 0.1292517 -0.0000000), wk = 0.0032051 k( 102) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0032051 k( 103) = ( 0.1156463 0.1156463 -0.0000000), wk = 0.0032051 k( 104) = ( 0.1088435 0.1088435 -0.0000000), wk = 0.0032051 k( 105) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0032051 k( 106) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0032051 k( 107) = ( 0.0884354 0.0884354 -0.0000000), wk = 0.0032051 k( 108) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0032051 k( 109) = ( 0.0748299 0.0748299 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0680272 0.0680272 -0.0000000), wk = 0.0032051 k( 111) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0032051 k( 112) = ( 0.0544218 0.0544218 -0.0000000), wk = 0.0032051 k( 113) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0032051 k( 115) = ( 0.0340136 0.0340136 0.0000000), wk = 0.0032051 k( 116) = ( 0.0272109 0.0272109 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0032051 k( 118) = ( 0.0136054 0.0136054 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0068027 0.0068027 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 146) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0032051 k( 147) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0032051 k( 148) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0032051 k( 149) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0032051 k( 150) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0032051 k( 151) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0032051 k( 152) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0032051 k( 153) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0032051 k( 154) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0032051 k( 155) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0032051 k( 156) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0032051 k( 157) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0032051 k( 158) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0032051 k( 159) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0032051 k( 160) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0032051 k( 161) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0032051 k( 162) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0032051 k( 163) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0032051 k( 164) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0032051 k( 165) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0032051 k( 166) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0032051 k( 167) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0032051 k( 168) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0032051 k( 169) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0032051 k( 170) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0032051 k( 171) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0032051 k( 172) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0032051 k( 173) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0032051 k( 174) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0032051 k( 175) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0032051 k( 176) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0032051 k( 177) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0032051 k( 178) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0032051 k( 179) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0032051 k( 180) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0032051 k( 181) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0032051 k( 182) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0032051 k( 183) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0032051 k( 184) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0032051 k( 185) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0032051 k( 186) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0032051 k( 187) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0032051 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 190) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0032051 k( 191) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0032051 k( 192) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0032051 k( 193) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0032051 k( 194) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032051 k( 195) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0032051 k( 196) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0032051 k( 197) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0032051 k( 198) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0032051 k( 199) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032051 k( 200) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0032051 k( 201) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0032051 k( 202) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0032051 k( 203) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0032051 k( 204) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032051 k( 205) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0032051 k( 206) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0032051 k( 207) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0032051 k( 208) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0032051 k( 209) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032051 k( 210) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0032051 k( 211) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0032051 k( 212) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0032051 k( 213) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0032051 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 216) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0032051 k( 217) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0032051 k( 218) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0032051 k( 219) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0032051 k( 220) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0032051 k( 221) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0032051 k( 222) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032051 k( 223) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0032051 k( 224) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0032051 k( 225) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0032051 k( 226) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0032051 k( 227) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0032051 k( 228) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0032051 k( 229) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0032051 k( 230) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0032051 k( 231) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0032051 k( 232) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0032051 k( 233) = ( 0.2108843 0.2108844 0.5000000), wk = 0.0032051 k( 234) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0032051 k( 235) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0032051 k( 236) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0032051 k( 237) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0032051 k( 238) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0032051 k( 239) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0032051 k( 240) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0032051 k( 241) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0032051 k( 242) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0032051 k( 243) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032051 k( 244) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0032051 k( 245) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0032051 k( 246) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0032051 k( 247) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0032051 k( 248) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0032051 k( 249) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0032051 k( 250) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0032051 k( 251) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0032051 k( 252) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0032051 k( 253) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0032051 k( 254) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0032051 k( 255) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0032051 k( 256) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0032051 k( 257) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0032051 k( 258) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0032051 k( 259) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0032051 k( 260) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0032051 k( 261) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0032051 k( 262) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0032051 k( 263) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0032051 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 266) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0032051 k( 267) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0032051 k( 268) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0032051 k( 269) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0032051 k( 270) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0032051 k( 271) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0032051 k( 272) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0032051 k( 273) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0032051 k( 274) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0032051 k( 275) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0032051 k( 276) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0032051 k( 277) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0032051 k( 278) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0032051 k( 279) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0032051 k( 280) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0032051 k( 281) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0032051 k( 282) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0032051 k( 283) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0032051 k( 284) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0032051 k( 285) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0032051 k( 286) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0032051 k( 287) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0032051 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 289) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032051 k( 290) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0032051 k( 291) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0032051 k( 292) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0032051 k( 293) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0032051 k( 294) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0032051 k( 295) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0032051 k( 296) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0032051 k( 297) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0032051 k( 298) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0032051 k( 299) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0032051 k( 300) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0032051 k( 301) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0032051 k( 302) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0032051 k( 303) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0032051 k( 304) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0032051 k( 305) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0032051 k( 306) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0032051 k( 307) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0032051 k( 308) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0032051 k( 309) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0032051 k( 310) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0032051 k( 311) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0032051 k( 312) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 Dense grid: 205211 G-vectors FFT dimensions: ( 72, 72, 108) Smooth grid: 31743 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 236, 52) NL pseudopotentials 0.31 Mb ( 118, 170) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.04 Mb ( 5696) G-vector shells 0.02 Mb ( 2648) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 236, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) The potential is recalculated from file : ./CaxCdPx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 10.0 secs Computing kpt #: 8 total cpu time spent up to now is 10.9 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 13.7 secs Computing kpt #: 12 total cpu time spent up to now is 14.7 secs Computing kpt #: 13 total cpu time spent up to now is 15.6 secs Computing kpt #: 14 total cpu time spent up to now is 16.5 secs Computing kpt #: 15 total cpu time spent up to now is 17.6 secs Computing kpt #: 16 total cpu time spent up to now is 18.5 secs Computing kpt #: 17 total cpu time spent up to now is 19.9 secs Computing kpt #: 18 total cpu time spent up to now is 21.2 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.8 secs Computing kpt #: 20 total cpu time spent up to now is 24.4 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.0 secs Computing kpt #: 22 total cpu time spent up to now is 27.0 secs Computing kpt #: 23 total cpu time spent up to now is 28.4 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.0 secs Computing kpt #: 25 total cpu time spent up to now is 31.5 secs Computing kpt #: 26 total cpu time spent up to now is 32.9 secs Computing kpt #: 27 total cpu time spent up to now is 34.2 secs Computing kpt #: 28 total cpu time spent up to now is 35.5 secs Computing kpt #: 29 total cpu time spent up to now is 36.7 secs Computing kpt #: 30 total cpu time spent up to now is 37.9 secs Computing kpt #: 31 total cpu time spent up to now is 39.0 secs Computing kpt #: 32 total cpu time spent up to now is 40.3 secs Computing kpt #: 33 total cpu time spent up to now is 41.7 secs Computing kpt #: 34 total cpu time spent up to now is 42.8 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.3 secs Computing kpt #: 36 total cpu time spent up to now is 45.7 secs Computing kpt #: 37 total cpu time spent up to now is 46.8 secs Computing kpt #: 38 total cpu time spent up to now is 48.2 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.8 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.3 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.8 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.3 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.9 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.4 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.0 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.6 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.2 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.8 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.3 secs Computing kpt #: 50 total cpu time spent up to now is 66.4 secs Computing kpt #: 51 total cpu time spent up to now is 67.4 secs Computing kpt #: 52 total cpu time spent up to now is 68.2 secs Computing kpt #: 53 total cpu time spent up to now is 69.0 secs Computing kpt #: 54 total cpu time spent up to now is 69.8 secs Computing kpt #: 55 total cpu time spent up to now is 70.6 secs Computing kpt #: 56 total cpu time spent up to now is 71.3 secs Computing kpt #: 57 total cpu time spent up to now is 72.0 secs Computing kpt #: 58 total cpu time spent up to now is 72.7 secs Computing kpt #: 59 total cpu time spent up to now is 73.4 secs Computing kpt #: 60 total cpu time spent up to now is 74.0 secs Computing kpt #: 61 total cpu time spent up to now is 74.7 secs Computing kpt #: 62 total cpu time spent up to now is 75.4 secs Computing kpt #: 63 total cpu time spent up to now is 76.0 secs Computing kpt #: 64 total cpu time spent up to now is 76.7 secs Computing kpt #: 65 total cpu time spent up to now is 77.3 secs Computing kpt #: 66 total cpu time spent up to now is 78.1 secs Computing kpt #: 67 total cpu time spent up to now is 79.0 secs Computing kpt #: 68 total cpu time spent up to now is 79.9 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.4 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.9 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.4 secs Computing kpt #: 72 total cpu time spent up to now is 85.7 secs Computing kpt #: 73 total cpu time spent up to now is 87.0 secs Computing kpt #: 74 total cpu time spent up to now is 88.2 secs Computing kpt #: 75 total cpu time spent up to now is 89.2 secs Computing kpt #: 76 total cpu time spent up to now is 90.2 secs Computing kpt #: 77 total cpu time spent up to now is 91.2 secs Computing kpt #: 78 total cpu time spent up to now is 92.1 secs Computing kpt #: 79 total cpu time spent up to now is 93.1 secs Computing kpt #: 80 total cpu time spent up to now is 94.1 secs Computing kpt #: 81 total cpu time spent up to now is 95.0 secs Computing kpt #: 82 total cpu time spent up to now is 95.9 secs Computing kpt #: 83 total cpu time spent up to now is 96.8 secs Computing kpt #: 84 total cpu time spent up to now is 97.7 secs Computing kpt #: 85 total cpu time spent up to now is 98.6 secs Computing kpt #: 86 total cpu time spent up to now is 99.5 secs Computing kpt #: 87 total cpu time spent up to now is 100.5 secs Computing kpt #: 88 total cpu time spent up to now is 101.4 secs Computing kpt #: 89 total cpu time spent up to now is 102.5 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.1 secs Computing kpt #: 91 total cpu time spent up to now is 105.3 secs Computing kpt #: 92 total cpu time spent up to now is 106.4 secs Computing kpt #: 93 total cpu time spent up to now is 107.4 secs Computing kpt #: 94 total cpu time spent up to now is 108.5 secs Computing kpt #: 95 total cpu time spent up to now is 109.5 secs Computing kpt #: 96 total cpu time spent up to now is 110.6 secs Computing kpt #: 97 total cpu time spent up to now is 111.6 secs Computing kpt #: 98 total cpu time spent up to now is 112.6 secs Computing kpt #: 99 total cpu time spent up to now is 113.6 secs Computing kpt #: 100 total cpu time spent up to now is 114.7 secs Computing kpt #: 101 total cpu time spent up to now is 115.6 secs Computing kpt #: 102 total cpu time spent up to now is 116.7 secs Computing kpt #: 103 total cpu time spent up to now is 117.5 secs Computing kpt #: 104 total cpu time spent up to now is 118.6 secs Computing kpt #: 105 total cpu time spent up to now is 119.4 secs Computing kpt #: 106 total cpu time spent up to now is 120.8 secs Computing kpt #: 107 total cpu time spent up to now is 121.9 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.4 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.0 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.8 secs Computing kpt #: 111 total cpu time spent up to now is 128.4 secs Computing kpt #: 112 total cpu time spent up to now is 129.6 secs Computing kpt #: 113 total cpu time spent up to now is 130.7 secs Computing kpt #: 114 total cpu time spent up to now is 131.7 secs Computing kpt #: 115 total cpu time spent up to now is 133.0 secs Computing kpt #: 116 total cpu time spent up to now is 134.0 secs Computing kpt #: 117 total cpu time spent up to now is 134.7 secs Computing kpt #: 118 total cpu time spent up to now is 135.5 secs Computing kpt #: 119 total cpu time spent up to now is 136.1 secs Computing kpt #: 120 total cpu time spent up to now is 137.4 secs Computing kpt #: 121 total cpu time spent up to now is 138.0 secs Computing kpt #: 122 total cpu time spent up to now is 139.4 secs Computing kpt #: 123 total cpu time spent up to now is 140.0 secs Computing kpt #: 124 total cpu time spent up to now is 140.8 secs Computing kpt #: 125 total cpu time spent up to now is 141.7 secs Computing kpt #: 126 total cpu time spent up to now is 142.5 secs Computing kpt #: 127 total cpu time spent up to now is 143.3 secs Computing kpt #: 128 total cpu time spent up to now is 144.1 secs Computing kpt #: 129 total cpu time spent up to now is 144.9 secs Computing kpt #: 130 total cpu time spent up to now is 145.7 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.3 secs Computing kpt #: 132 total cpu time spent up to now is 148.1 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.7 secs Computing kpt #: 134 total cpu time spent up to now is 150.6 secs Computing kpt #: 135 total cpu time spent up to now is 151.4 secs Computing kpt #: 136 total cpu time spent up to now is 152.1 secs Computing kpt #: 137 total cpu time spent up to now is 152.9 secs Computing kpt #: 138 total cpu time spent up to now is 153.7 secs Computing kpt #: 139 total cpu time spent up to now is 154.5 secs Computing kpt #: 140 total cpu time spent up to now is 155.3 secs Computing kpt #: 141 total cpu time spent up to now is 156.3 secs Computing kpt #: 142 total cpu time spent up to now is 157.1 secs Computing kpt #: 143 total cpu time spent up to now is 157.8 secs Computing kpt #: 144 total cpu time spent up to now is 158.5 secs Computing kpt #: 145 total cpu time spent up to now is 159.2 secs Computing kpt #: 146 total cpu time spent up to now is 159.9 secs Computing kpt #: 147 total cpu time spent up to now is 160.7 secs Computing kpt #: 148 total cpu time spent up to now is 161.4 secs Computing kpt #: 149 total cpu time spent up to now is 162.3 secs Computing kpt #: 150 total cpu time spent up to now is 163.1 secs Computing kpt #: 151 total cpu time spent up to now is 164.0 secs Computing kpt #: 152 total cpu time spent up to now is 164.8 secs Computing kpt #: 153 total cpu time spent up to now is 165.7 secs Computing kpt #: 154 total cpu time spent up to now is 166.6 secs Computing kpt #: 155 total cpu time spent up to now is 167.6 secs Computing kpt #: 156 total cpu time spent up to now is 168.9 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.4 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.0 secs Computing kpt #: 159 total cpu time spent up to now is 173.6 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 175.2 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.7 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.3 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.9 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.5 secs Computing kpt #: 165 total cpu time spent up to now is 182.6 secs Computing kpt #: 166 total cpu time spent up to now is 183.5 secs Computing kpt #: 167 total cpu time spent up to now is 184.3 secs Computing kpt #: 168 total cpu time spent up to now is 185.2 secs Computing kpt #: 169 total cpu time spent up to now is 185.9 secs Computing kpt #: 170 total cpu time spent up to now is 186.7 secs Computing kpt #: 171 total cpu time spent up to now is 187.4 secs Computing kpt #: 172 total cpu time spent up to now is 188.1 secs Computing kpt #: 173 total cpu time spent up to now is 188.8 secs Computing kpt #: 174 total cpu time spent up to now is 189.5 secs Computing kpt #: 175 total cpu time spent up to now is 190.1 secs Computing kpt #: 176 total cpu time spent up to now is 190.8 secs Computing kpt #: 177 total cpu time spent up to now is 191.4 secs Computing kpt #: 178 total cpu time spent up to now is 192.0 secs Computing kpt #: 179 total cpu time spent up to now is 192.6 secs Computing kpt #: 180 total cpu time spent up to now is 193.2 secs Computing kpt #: 181 total cpu time spent up to now is 193.8 secs Computing kpt #: 182 total cpu time spent up to now is 194.3 secs Computing kpt #: 183 total cpu time spent up to now is 194.8 secs Computing kpt #: 184 total cpu time spent up to now is 195.4 secs Computing kpt #: 185 total cpu time spent up to now is 195.9 secs Computing kpt #: 186 total cpu time spent up to now is 196.5 secs Computing kpt #: 187 total cpu time spent up to now is 197.0 secs Computing kpt #: 188 total cpu time spent up to now is 197.6 secs Computing kpt #: 189 total cpu time spent up to now is 198.2 secs Computing kpt #: 190 total cpu time spent up to now is 198.7 secs Computing kpt #: 191 total cpu time spent up to now is 199.3 secs Computing kpt #: 192 total cpu time spent up to now is 199.9 secs Computing kpt #: 193 total cpu time spent up to now is 200.5 secs Computing kpt #: 194 total cpu time spent up to now is 201.1 secs Computing kpt #: 195 total cpu time spent up to now is 201.7 secs Computing kpt #: 196 total cpu time spent up to now is 202.4 secs Computing kpt #: 197 total cpu time spent up to now is 203.0 secs Computing kpt #: 198 total cpu time spent up to now is 203.7 secs Computing kpt #: 199 total cpu time spent up to now is 204.4 secs Computing kpt #: 200 total cpu time spent up to now is 205.0 secs Computing kpt #: 201 total cpu time spent up to now is 205.7 secs Computing kpt #: 202 total cpu time spent up to now is 206.4 secs Computing kpt #: 203 total cpu time spent up to now is 207.1 secs Computing kpt #: 204 total cpu time spent up to now is 207.9 secs Computing kpt #: 205 total cpu time spent up to now is 208.7 secs Computing kpt #: 206 total cpu time spent up to now is 209.6 secs Computing kpt #: 207 total cpu time spent up to now is 210.5 secs Computing kpt #: 208 total cpu time spent up to now is 211.5 secs Computing kpt #: 209 total cpu time spent up to now is 212.6 secs Computing kpt #: 210 total cpu time spent up to now is 213.5 secs Computing kpt #: 211 total cpu time spent up to now is 214.5 secs Computing kpt #: 212 total cpu time spent up to now is 215.6 secs Computing kpt #: 213 total cpu time spent up to now is 216.7 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.3 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.9 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.5 secs Computing kpt #: 217 total cpu time spent up to now is 222.8 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.4 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.0 secs Computing kpt #: 220 total cpu time spent up to now is 227.1 secs Computing kpt #: 221 total cpu time spent up to now is 228.1 secs Computing kpt #: 222 total cpu time spent up to now is 229.1 secs Computing kpt #: 223 total cpu time spent up to now is 230.1 secs Computing kpt #: 224 total cpu time spent up to now is 231.1 secs Computing kpt #: 225 total cpu time spent up to now is 232.1 secs Computing kpt #: 226 total cpu time spent up to now is 233.2 secs Computing kpt #: 227 total cpu time spent up to now is 234.2 secs Computing kpt #: 228 total cpu time spent up to now is 235.3 secs Computing kpt #: 229 total cpu time spent up to now is 236.3 secs Computing kpt #: 230 total cpu time spent up to now is 237.2 secs Computing kpt #: 231 total cpu time spent up to now is 238.0 secs Computing kpt #: 232 total cpu time spent up to now is 238.9 secs Computing kpt #: 233 total cpu time spent up to now is 239.7 secs Computing kpt #: 234 total cpu time spent up to now is 240.6 secs Computing kpt #: 235 total cpu time spent up to now is 241.5 secs Computing kpt #: 236 total cpu time spent up to now is 242.3 secs Computing kpt #: 237 total cpu time spent up to now is 243.2 secs Computing kpt #: 238 total cpu time spent up to now is 244.0 secs Computing kpt #: 239 total cpu time spent up to now is 244.8 secs Computing kpt #: 240 total cpu time spent up to now is 245.6 secs Computing kpt #: 241 total cpu time spent up to now is 246.4 secs Computing kpt #: 242 total cpu time spent up to now is 247.2 secs Computing kpt #: 243 total cpu time spent up to now is 247.9 secs Computing kpt #: 244 total cpu time spent up to now is 248.7 secs Computing kpt #: 245 total cpu time spent up to now is 249.5 secs Computing kpt #: 246 total cpu time spent up to now is 250.2 secs Computing kpt #: 247 total cpu time spent up to now is 250.9 secs Computing kpt #: 248 total cpu time spent up to now is 251.7 secs Computing kpt #: 249 total cpu time spent up to now is 252.4 secs Computing kpt #: 250 total cpu time spent up to now is 253.2 secs Computing kpt #: 251 total cpu time spent up to now is 254.0 secs Computing kpt #: 252 total cpu time spent up to now is 254.9 secs Computing kpt #: 253 total cpu time spent up to now is 256.0 secs Computing kpt #: 254 total cpu time spent up to now is 257.1 secs Computing kpt #: 255 total cpu time spent up to now is 258.0 secs Computing kpt #: 256 total cpu time spent up to now is 258.9 secs Computing kpt #: 257 total cpu time spent up to now is 259.7 secs Computing kpt #: 258 total cpu time spent up to now is 260.5 secs Computing kpt #: 259 total cpu time spent up to now is 261.3 secs Computing kpt #: 260 total cpu time spent up to now is 262.2 secs Computing kpt #: 261 total cpu time spent up to now is 262.9 secs Computing kpt #: 262 total cpu time spent up to now is 263.7 secs Computing kpt #: 263 total cpu time spent up to now is 264.4 secs Computing kpt #: 264 total cpu time spent up to now is 265.1 secs Computing kpt #: 265 total cpu time spent up to now is 265.7 secs Computing kpt #: 266 total cpu time spent up to now is 266.3 secs Computing kpt #: 267 total cpu time spent up to now is 266.8 secs Computing kpt #: 268 total cpu time spent up to now is 267.3 secs Computing kpt #: 269 total cpu time spent up to now is 267.9 secs Computing kpt #: 270 total cpu time spent up to now is 268.4 secs Computing kpt #: 271 total cpu time spent up to now is 269.0 secs Computing kpt #: 272 total cpu time spent up to now is 269.5 secs Computing kpt #: 273 total cpu time spent up to now is 270.0 secs Computing kpt #: 274 total cpu time spent up to now is 270.6 secs Computing kpt #: 275 total cpu time spent up to now is 271.2 secs Computing kpt #: 276 total cpu time spent up to now is 271.8 secs Computing kpt #: 277 total cpu time spent up to now is 272.4 secs Computing kpt #: 278 total cpu time spent up to now is 273.0 secs Computing kpt #: 279 total cpu time spent up to now is 273.6 secs Computing kpt #: 280 total cpu time spent up to now is 274.3 secs Computing kpt #: 281 total cpu time spent up to now is 275.0 secs Computing kpt #: 282 total cpu time spent up to now is 275.7 secs Computing kpt #: 283 total cpu time spent up to now is 276.6 secs Computing kpt #: 284 total cpu time spent up to now is 277.8 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.4 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.0 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.6 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.1 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.6 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.2 secs Computing kpt #: 291 total cpu time spent up to now is 287.9 secs Computing kpt #: 292 total cpu time spent up to now is 288.9 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.4 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 291.8 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.4 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.9 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.5 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.0 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 299.5 secs Computing kpt #: 300 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.1 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 302.7 secs Computing kpt #: 302 total cpu time spent up to now is 304.0 secs Computing kpt #: 303 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.6 secs Computing kpt #: 304 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.2 secs Computing kpt #: 305 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.8 secs Computing kpt #: 306 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.3 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 311.9 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 313.5 secs Computing kpt #: 309 total cpu time spent up to now is 314.8 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.4 secs Computing kpt #: 311 total cpu time spent up to now is 317.7 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 319.3 secs ethr = 2.27E-08, avg # of iterations = 60.7 total cpu time spent up to now is 319.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3971 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5365 -2.5365 -1.9632 -1.9632 -0.6219 -0.6219 -0.6058 -0.6058 -0.5013 -0.5013 -0.3315 -0.3315 0.1040 0.1040 0.1602 0.1602 0.2481 0.2481 0.3936 0.3936 0.4947 0.4947 0.6369 0.6369 3.6079 3.6079 7.3434 7.3434 7.3727 7.3727 8.4560 8.4560 8.5595 8.5595 8.5875 8.5875 9.4618 9.4618 9.7301 9.7301 11.0228 11.0228 11.2538 11.2538 k = 0.0116 0.0067-0.0000 ( 3967 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1572 -13.1572 -2.5357 -2.5357 -1.9631 -1.9631 -0.6216 -0.6216 -0.6056 -0.6056 -0.5014 -0.5014 -0.3314 -0.3314 0.1042 0.1042 0.1597 0.1597 0.2485 0.2485 0.3939 0.3939 0.4944 0.4944 0.6372 0.6372 3.6094 3.6094 7.3367 7.3367 7.3673 7.3673 8.4575 8.4575 8.5471 8.5471 8.5782 8.5782 9.4773 9.4773 9.7345 9.7345 11.0255 11.0255 11.2587 11.2587 k = 0.0233 0.0134-0.0000 ( 3973 PWs) bands (ev): -32.2937 -32.2937 -13.5625 -13.5625 -13.2037 -13.2037 -13.1573 -13.1573 -2.5333 -2.5333 -1.9625 -1.9625 -0.6209 -0.6209 -0.6051 -0.6051 -0.5015 -0.5015 -0.3309 -0.3309 0.1045 0.1045 0.1584 0.1584 0.2496 0.2496 0.3948 0.3948 0.4936 0.4936 0.6382 0.6382 3.6140 3.6140 7.3107 7.3107 7.3577 7.3577 8.4577 8.4577 8.5032 8.5032 8.5642 8.5642 9.5199 9.5199 9.7478 9.7478 11.0332 11.0332 11.2732 11.2732 k = 0.0349 0.0201-0.0000 ( 3973 PWs) bands (ev): -32.2937 -32.2937 -13.5626 -13.5626 -13.2038 -13.2038 -13.1576 -13.1576 -2.5293 -2.5293 -1.9617 -1.9617 -0.6196 -0.6196 -0.6043 -0.6043 -0.5016 -0.5016 -0.3299 -0.3299 0.1050 0.1050 0.1564 0.1564 0.2513 0.2513 0.3961 0.3961 0.4924 0.4924 0.6400 0.6400 3.6216 3.6216 7.2628 7.2628 7.3487 7.3487 8.4095 8.4095 8.4784 8.4784 8.5488 8.5488 9.5806 9.5806 9.7707 9.7707 11.0454 11.0454 11.2971 11.2971 k = 0.0465 0.0269-0.0000 ( 3961 PWs) bands (ev): -32.2937 -32.2937 -13.5627 -13.5627 -13.2038 -13.2038 -13.1579 -13.1579 -2.5237 -2.5237 -1.9605 -1.9605 -0.6177 -0.6177 -0.6030 -0.6030 -0.5018 -0.5018 -0.3286 -0.3286 0.1058 0.1058 0.1538 0.1538 0.2535 0.2535 0.3980 0.3980 0.4907 0.4907 0.6426 0.6426 3.6323 3.6323 7.1976 7.1976 7.3388 7.3388 8.3137 8.3137 8.4794 8.4794 8.5300 8.5300 9.6502 9.6502 9.8046 9.8046 11.0611 11.0611 11.3295 11.3295 k = 0.0581 0.0336-0.0000 ( 3961 PWs) bands (ev): -32.2936 -32.2936 -13.5628 -13.5628 -13.2039 -13.2039 -13.1583 -13.1583 -2.5166 -2.5166 -1.9589 -1.9589 -0.6154 -0.6154 -0.6015 -0.6015 -0.5021 -0.5021 -0.3269 -0.3269 0.1067 0.1067 0.1508 0.1508 0.2559 0.2559 0.4003 0.4003 0.4885 0.4885 0.6461 0.6461 3.6459 3.6459 7.1189 7.1189 7.3268 7.3268 8.2031 8.2031 8.4757 8.4757 8.5099 8.5099 9.7205 9.7205 9.8515 9.8515 11.0797 11.0797 11.3692 11.3692 k = 0.0698 0.0403-0.0000 ( 3957 PWs) bands (ev): -32.2936 -32.2936 -13.5630 -13.5630 -13.2040 -13.2040 -13.1588 -13.1588 -2.5080 -2.5080 -1.9571 -1.9571 -0.6125 -0.6125 -0.5996 -0.5996 -0.5024 -0.5024 -0.3248 -0.3248 0.1079 0.1079 0.1477 0.1477 0.2584 0.2584 0.4029 0.4029 0.4859 0.4859 0.6504 0.6504 3.6624 3.6624 7.0296 7.0296 7.3127 7.3127 8.0839 8.0839 8.4587 8.4587 8.4934 8.4934 9.7855 9.7855 9.9132 9.9132 11.1003 11.1003 11.4150 11.4150 k = 0.0814 0.0470-0.0000 ( 3961 PWs) bands (ev): -32.2935 -32.2935 -13.5633 -13.5633 -13.2041 -13.2041 -13.1594 -13.1594 -2.4979 -2.4979 -1.9550 -1.9550 -0.6092 -0.6092 -0.5974 -0.5974 -0.5028 -0.5028 -0.3225 -0.3225 0.1091 0.1091 0.1446 0.1446 0.2607 0.2607 0.4057 0.4057 0.4829 0.4829 0.6557 0.6557 3.6819 3.6819 6.9321 6.9321 7.2964 7.2964 7.9591 7.9591 8.4294 8.4294 8.4785 8.4785 9.8441 9.8441 9.9871 9.9871 11.1228 11.1228 11.4659 11.4659 k = 0.0930 0.0537-0.0000 ( 3955 PWs) bands (ev): -32.2935 -32.2935 -13.5635 -13.5635 -13.2043 -13.2043 -13.1601 -13.1601 -2.4864 -2.4864 -1.9526 -1.9526 -0.6052 -0.6052 -0.5947 -0.5947 -0.5031 -0.5031 -0.3198 -0.3198 0.1105 0.1105 0.1418 0.1418 0.2629 0.2629 0.4085 0.4085 0.4797 0.4797 0.6620 0.6620 3.7041 3.7041 6.8280 6.8280 7.2778 7.2778 7.8308 7.8308 8.3939 8.3939 8.4593 8.4593 9.8990 9.8990 10.0679 10.0679 11.1470 11.1470 11.5213 11.5213 k = 0.1047 0.0604-0.0000 ( 3947 PWs) bands (ev): -32.2934 -32.2934 -13.5638 -13.5638 -13.2044 -13.2044 -13.1608 -13.1608 -2.4735 -2.4735 -1.9500 -1.9500 -0.6008 -0.6008 -0.5917 -0.5917 -0.5034 -0.5034 -0.3166 -0.3166 0.1120 0.1120 0.1394 0.1394 0.2649 0.2649 0.4110 0.4110 0.4765 0.4765 0.6695 0.6695 3.7292 3.7292 6.7187 6.7187 7.2571 7.2571 7.7005 7.7005 8.3544 8.3544 8.4340 8.4340 9.9522 9.9522 10.1504 10.1504 11.1731 11.1731 11.5807 11.5807 k = 0.1163 0.0671-0.0000 ( 3951 PWs) bands (ev): -32.2933 -32.2933 -13.5642 -13.5642 -13.2047 -13.2047 -13.1617 -13.1617 -2.4594 -2.4594 -1.9472 -1.9472 -0.5962 -0.5962 -0.5883 -0.5883 -0.5036 -0.5036 -0.3131 -0.3131 0.1134 0.1134 0.1375 0.1375 0.2664 0.2664 0.4129 0.4129 0.4735 0.4735 0.6780 0.6780 3.7569 3.7569 6.6054 6.6054 7.2342 7.2342 7.5693 7.5693 8.3121 8.3121 8.4025 8.4025 10.0043 10.0043 10.2307 10.2307 11.2021 11.2021 11.6436 11.6436 k = 0.1279 0.0738-0.0000 ( 3953 PWs) bands (ev): -32.2933 -32.2933 -13.5646 -13.5646 -13.2049 -13.2049 -13.1626 -13.1626 -2.4441 -2.4441 -1.9442 -1.9442 -0.5913 -0.5913 -0.5841 -0.5841 -0.5038 -0.5038 -0.3093 -0.3093 0.1147 0.1147 0.1363 0.1363 0.2677 0.2677 0.4139 0.4139 0.4709 0.4709 0.6876 0.6876 3.7873 3.7873 6.4889 6.4889 7.2093 7.2093 7.4380 7.4380 8.2677 8.2677 8.3652 8.3652 10.0555 10.0555 10.3053 10.3053 11.2353 11.2353 11.7094 11.7094 k = 0.1395 0.0806-0.0000 ( 3953 PWs) bands (ev): -32.2932 -32.2932 -13.5650 -13.5650 -13.2051 -13.2051 -13.1635 -13.1635 -2.4276 -2.4276 -1.9410 -1.9410 -0.5866 -0.5866 -0.5791 -0.5791 -0.5038 -0.5038 -0.3051 -0.3051 0.1157 0.1157 0.1359 0.1359 0.2686 0.2686 0.4137 0.4137 0.4691 0.4691 0.6985 0.6985 3.8202 3.8202 6.3698 6.3698 7.1818 7.1818 7.3080 7.3080 8.2216 8.2216 8.3228 8.3228 10.1056 10.1056 10.3708 10.3708 11.2747 11.2747 11.7775 11.7775 k = 0.1512 0.0873-0.0000 ( 3957 PWs) bands (ev): -32.2931 -32.2931 -13.5654 -13.5654 -13.2054 -13.2054 -13.1645 -13.1645 -2.4101 -2.4101 -1.9377 -1.9377 -0.5822 -0.5822 -0.5731 -0.5731 -0.5036 -0.5036 -0.3006 -0.3006 0.1166 0.1166 0.1365 0.1365 0.2692 0.2692 0.4121 0.4121 0.4682 0.4682 0.7105 0.7105 3.8555 3.8555 6.2487 6.2487 7.1451 7.1451 7.1864 7.1864 8.1743 8.1743 8.2758 8.2758 10.1542 10.1542 10.4243 10.4243 11.3224 11.3224 11.8468 11.8468 k = 0.1628 0.0940-0.0000 ( 3959 PWs) bands (ev): -32.2930 -32.2930 -13.5659 -13.5659 -13.2057 -13.2057 -13.1655 -13.1655 -2.3916 -2.3916 -1.9344 -1.9344 -0.5779 -0.5779 -0.5662 -0.5662 -0.5031 -0.5031 -0.2956 -0.2956 0.1174 0.1174 0.1380 0.1380 0.2694 0.2694 0.4091 0.4091 0.4683 0.4683 0.7235 0.7235 3.8930 3.8930 6.1261 6.1261 7.0417 7.0417 7.1316 7.1316 8.1262 8.1262 8.2248 8.2248 10.2010 10.2010 10.4637 10.4637 11.3801 11.3801 11.9155 11.9155 k = 0.1744 0.1007-0.0000 ( 3955 PWs) bands (ev): -32.2929 -32.2929 -13.5663 -13.5663 -13.2060 -13.2060 -13.1666 -13.1666 -2.3724 -2.3724 -1.9310 -1.9310 -0.5737 -0.5737 -0.5587 -0.5587 -0.5021 -0.5021 -0.2903 -0.2903 0.1182 0.1182 0.1404 0.1404 0.2694 0.2694 0.4048 0.4048 0.4693 0.4693 0.7377 0.7377 3.9328 3.9328 6.0025 6.0025 6.9166 6.9166 7.0989 7.0989 8.0777 8.0777 8.1704 8.1704 10.2452 10.2452 10.4891 10.4891 11.4481 11.4481 11.9784 11.9784 k = 0.1860 0.1074-0.0000 ( 3955 PWs) bands (ev): -32.2928 -32.2928 -13.5668 -13.5668 -13.2063 -13.2063 -13.1677 -13.1677 -2.3524 -2.3524 -1.9275 -1.9275 -0.5694 -0.5694 -0.5510 -0.5510 -0.5006 -0.5006 -0.2846 -0.2846 0.1191 0.1191 0.1434 0.1434 0.2691 0.2691 0.3996 0.3996 0.4710 0.4710 0.7527 0.7527 3.9746 3.9746 5.8782 5.8782 6.7922 6.7922 7.0665 7.0665 8.0289 8.0289 8.1131 8.1131 10.2858 10.2858 10.5025 10.5025 11.5253 11.5253 12.0258 12.0258 k = 0.1977 0.1141-0.0000 ( 3957 PWs) bands (ev): -32.2927 -32.2927 -13.5674 -13.5674 -13.2067 -13.2067 -13.1688 -13.1688 -2.3318 -2.3318 -1.9241 -1.9241 -0.5652 -0.5652 -0.5434 -0.5434 -0.4981 -0.4981 -0.2785 -0.2785 0.1203 0.1203 0.1471 0.1471 0.2684 0.2684 0.3936 0.3936 0.4731 0.4731 0.7687 0.7687 4.0182 4.0182 5.7537 5.7537 6.6699 6.6699 7.0335 7.0335 7.9801 7.9801 8.0535 8.0535 10.3202 10.3202 10.5085 10.5085 11.6093 11.6093 12.0580 12.0580 k = 0.2093 0.1208-0.0000 ( 3953 PWs) bands (ev): -32.2926 -32.2926 -13.5679 -13.5679 -13.2071 -13.2071 -13.1699 -13.1699 -2.3107 -2.3107 -1.9208 -1.9208 -0.5608 -0.5608 -0.5362 -0.5362 -0.4942 -0.4942 -0.2719 -0.2719 0.1219 0.1219 0.1515 0.1515 0.2676 0.2676 0.3871 0.3871 0.4754 0.4754 0.7853 0.7853 4.0635 4.0635 5.6293 5.6293 6.5501 6.5501 6.9999 6.9999 7.9313 7.9313 7.9922 7.9922 10.3440 10.3440 10.5141 10.5141 11.6969 11.6969 12.0842 12.0844 k = 0.2209 0.1276-0.0000 ( 3953 PWs) bands (ev): -32.2925 -32.2925 -13.5685 -13.5685 -13.2075 -13.2075 -13.1710 -13.1710 -2.2892 -2.2892 -1.9175 -1.9175 -0.5566 -0.5566 -0.5300 -0.5300 -0.4886 -0.4886 -0.2650 -0.2650 0.1237 0.1237 0.1564 0.1564 0.2665 0.2665 0.3804 0.3804 0.4780 0.4780 0.8025 0.8025 4.1101 4.1101 5.5054 5.5054 6.4333 6.4333 6.9657 6.9657 7.8821 7.8821 7.9301 7.9301 10.3519 10.3519 10.5273 10.5273 11.7847 11.7847 12.1073 12.1073 k = 0.2326 0.1343-0.0000 ( 3953 PWs) bands (ev): -32.2923 -32.2923 -13.5690 -13.5690 -13.2079 -13.2079 -13.1720 -13.1720 -2.2675 -2.2675 -1.9143 -1.9143 -0.5523 -0.5523 -0.5251 -0.5251 -0.4811 -0.4811 -0.2576 -0.2576 0.1258 0.1258 0.1621 0.1621 0.2652 0.2652 0.3737 0.3737 0.4806 0.4806 0.8202 0.8202 4.1579 4.1579 5.3825 5.3825 6.3196 6.3196 6.9312 6.9312 7.8310 7.8310 7.8693 7.8693 10.3429 10.3429 10.5510 10.5510 11.8691 11.8691 12.1290 12.1290 k = 0.2442 0.1410-0.0000 ( 3961 PWs) bands (ev): -32.2922 -32.2922 -13.5697 -13.5697 -13.2084 -13.2084 -13.1731 -13.1731 -2.2457 -2.2457 -1.9113 -1.9113 -0.5482 -0.5482 -0.5213 -0.5213 -0.4719 -0.4719 -0.2498 -0.2498 0.1281 0.1281 0.1685 0.1685 0.2637 0.2637 0.3669 0.3669 0.4832 0.4832 0.8382 0.8382 4.2063 4.2063 5.2610 5.2610 6.2095 6.2095 6.8964 6.8964 7.7747 7.7747 7.8134 7.8134 10.3217 10.3217 10.5823 10.5823 11.9463 11.9463 12.1515 12.1515 k = 0.2558 0.1477-0.0000 ( 3959 PWs) bands (ev): -32.2921 -32.2921 -13.5702 -13.5702 -13.2089 -13.2089 -13.1742 -13.1742 -2.2239 -2.2239 -1.9085 -1.9085 -0.5441 -0.5441 -0.5183 -0.5183 -0.4612 -0.4612 -0.2414 -0.2414 0.1305 0.1305 0.1758 0.1758 0.2623 0.2623 0.3604 0.3604 0.4861 0.4861 0.8563 0.8563 4.2549 4.2549 5.1416 5.1416 6.1032 6.1032 6.8617 6.8617 7.7121 7.7121 7.7641 7.7641 10.2934 10.2934 10.6176 10.6176 12.0125 12.0125 12.1760 12.1760 k = 0.2674 0.1544-0.0000 ( 3955 PWs) bands (ev): -32.2920 -32.2920 -13.5708 -13.5708 -13.2094 -13.2094 -13.1752 -13.1752 -2.2022 -2.2022 -1.9058 -1.9058 -0.5402 -0.5402 -0.5158 -0.5158 -0.4496 -0.4496 -0.2325 -0.2325 0.1329 0.1329 0.1839 0.1839 0.2608 0.2608 0.3543 0.3543 0.4891 0.4891 0.8744 0.8744 4.3028 4.3028 5.0251 5.0251 6.0011 6.0011 6.8271 6.8271 7.6455 7.6455 7.7193 7.7193 10.2612 10.2612 10.6545 10.6545 12.0634 12.0634 12.2029 12.2029 k = 0.2791 0.1611-0.0000 ( 3945 PWs) bands (ev): -32.2919 -32.2919 -13.5714 -13.5714 -13.2099 -13.2099 -13.1761 -13.1761 -2.1808 -2.1808 -1.9033 -1.9033 -0.5365 -0.5365 -0.5135 -0.5135 -0.4375 -0.4375 -0.2232 -0.2232 0.1352 0.1352 0.1927 0.1927 0.2597 0.2597 0.3487 0.3487 0.4923 0.4923 0.8924 0.8924 4.3485 4.3485 4.9130 4.9130 5.9036 5.9036 6.7928 6.7928 7.5771 7.5771 7.6772 7.6772 10.2272 10.2272 10.6919 10.6919 12.0952 12.0952 12.2325 12.2325 k = 0.2907 0.1678-0.0000 ( 3959 PWs) bands (ev): -32.2918 -32.2918 -13.5720 -13.5720 -13.2104 -13.2104 -13.1771 -13.1771 -2.1597 -2.1597 -1.9011 -1.9011 -0.5331 -0.5331 -0.5115 -0.5115 -0.4253 -0.4253 -0.2134 -0.2134 0.1372 0.1372 0.2017 0.2017 0.2590 0.2590 0.3436 0.3436 0.4956 0.4956 0.9096 0.9096 4.3891 4.3891 4.8079 4.8079 5.8113 5.8113 6.7591 6.7591 7.5077 7.5077 7.6374 7.6374 10.1925 10.1925 10.7290 10.7290 12.1057 12.1057 12.2649 12.2649 k = 0.3023 0.1745-0.0000 ( 3963 PWs) bands (ev): -32.2917 -32.2917 -13.5726 -13.5726 -13.2110 -13.2110 -13.1780 -13.1780 -2.1391 -2.1391 -1.8991 -1.8991 -0.5300 -0.5300 -0.5093 -0.5093 -0.4131 -0.4131 -0.2031 -0.2031 0.1391 0.1391 0.2102 0.2102 0.2597 0.2597 0.3396 0.3396 0.4994 0.4994 0.9262 0.9262 4.4175 4.4175 4.7166 4.7166 5.7250 5.7250 6.7260 6.7260 7.4377 7.4377 7.5995 7.5995 10.1579 10.1579 10.7655 10.7655 12.0958 12.0958 12.3001 12.3001 k = 0.3140 0.1813-0.0000 ( 3965 PWs) bands (ev): -32.2916 -32.2916 -13.5732 -13.5732 -13.2116 -13.2116 -13.1788 -13.1788 -2.1191 -2.1191 -1.8974 -1.8974 -0.5271 -0.5271 -0.5072 -0.5072 -0.4011 -0.4011 -0.1924 -0.1924 0.1407 0.1407 0.2169 0.2169 0.2626 0.2626 0.3368 0.3368 0.5038 0.5038 0.9419 0.9419 4.4168 4.4168 4.6557 4.6557 5.6455 5.6455 6.6939 6.6939 7.3675 7.3675 7.5636 7.5636 10.1240 10.1240 10.8010 10.8010 12.0693 12.0693 12.3380 12.3380 k = 0.3256 0.1880-0.0000 ( 3965 PWs) bands (ev): -32.2915 -32.2915 -13.5738 -13.5738 -13.2121 -13.2121 -13.1796 -13.1796 -2.0998 -2.0998 -1.8960 -1.8960 -0.5244 -0.5244 -0.5051 -0.5051 -0.3895 -0.3895 -0.1814 -0.1814 0.1422 0.1422 0.2207 0.2207 0.2684 0.2684 0.3359 0.3359 0.5089 0.5089 0.9564 0.9564 4.3707 4.3707 4.6403 4.6403 5.5740 5.5740 6.6627 6.6627 7.2973 7.2973 7.5297 7.5297 10.0912 10.0912 10.8354 10.8354 12.0302 12.0302 12.3784 12.3784 k = 0.3372 0.1947-0.0000 ( 3965 PWs) bands (ev): -32.2914 -32.2914 -13.5743 -13.5743 -13.2127 -13.2127 -13.1803 -13.1803 -2.0812 -2.0812 -1.8948 -1.8948 -0.5219 -0.5219 -0.5029 -0.5029 -0.3785 -0.3785 -0.1701 -0.1701 0.1433 0.1433 0.2214 0.2214 0.2759 0.2759 0.3379 0.3379 0.5150 0.5150 0.9694 0.9694 4.2950 4.2950 4.6538 4.6538 5.5122 5.5122 6.6328 6.6328 7.2273 7.2273 7.4978 7.4978 10.0597 10.0597 10.8684 10.8684 11.9828 11.9828 12.4210 12.4210 k = 0.3488 0.2014-0.0000 ( 3965 PWs) bands (ev): -32.2913 -32.2913 -13.5749 -13.5749 -13.2132 -13.2132 -13.1810 -13.1810 -2.0635 -2.0635 -1.8940 -1.8940 -0.5198 -0.5198 -0.5008 -0.5008 -0.3681 -0.3681 -0.1588 -0.1588 0.1442 0.1442 0.2201 0.2201 0.2826 0.2826 0.3439 0.3439 0.5225 0.5225 0.9806 0.9806 4.2099 4.2099 4.6743 4.6743 5.4619 5.4619 6.6043 6.6043 7.1578 7.1578 7.4680 7.4680 10.0298 10.0298 10.9000 10.9000 11.9303 11.9303 12.4657 12.4657 k = 0.3605 0.2081-0.0000 ( 3965 PWs) bands (ev): -32.2912 -32.2912 -13.5754 -13.5754 -13.2138 -13.2138 -13.1816 -13.1816 -2.0466 -2.0466 -1.8934 -1.8934 -0.5178 -0.5178 -0.4988 -0.4988 -0.3584 -0.3584 -0.1475 -0.1475 0.1450 0.1450 0.2176 0.2176 0.2871 0.2871 0.3539 0.3539 0.5320 0.5320 0.9896 0.9896 4.1241 4.1241 4.6916 4.6916 5.4250 5.4250 6.5772 6.5772 7.0890 7.0890 7.4402 7.4402 10.0016 10.0016 10.9301 10.9301 11.8754 11.8754 12.5123 12.5123 k = 0.3721 0.2148-0.0000 ( 3965 PWs) bands (ev): -32.2911 -32.2911 -13.5759 -13.5759 -13.2143 -13.2143 -13.1821 -13.1821 -2.0307 -2.0307 -1.8932 -1.8932 -0.5158 -0.5158 -0.4970 -0.4970 -0.3495 -0.3495 -0.1365 -0.1365 0.1456 0.1456 0.2143 0.2143 0.2893 0.2893 0.3670 0.3670 0.5439 0.5439 0.9963 0.9963 4.0410 4.0410 4.7011 4.7011 5.4031 5.4031 6.5518 6.5518 7.0211 7.0211 7.4144 7.4144 9.9753 9.9753 10.9586 10.9586 11.8201 11.8201 12.5605 12.5605 k = 0.3837 0.2215-0.0000 ( 3961 PWs) bands (ev): -32.2910 -32.2910 -13.5763 -13.5763 -13.2148 -13.2148 -13.1826 -13.1826 -2.0157 -2.0157 -1.8933 -1.8933 -0.5141 -0.5141 -0.4953 -0.4953 -0.3414 -0.3414 -0.1259 -0.1259 0.1463 0.1463 0.2104 0.2104 0.2901 0.2901 0.3811 0.3811 0.5590 0.5590 1.0002 1.0002 3.9624 3.9624 4.7012 4.7012 5.3966 5.3966 6.5281 6.5281 6.9544 6.9544 7.3909 7.3909 9.9510 9.9510 10.9855 10.9855 11.7659 11.7659 12.6100 12.6100 k = 0.3953 0.2283-0.0000 ( 3959 PWs) bands (ev): -32.2909 -32.2909 -13.5767 -13.5767 -13.2153 -13.2153 -13.1830 -13.1830 -2.0017 -2.0017 -1.8938 -1.8938 -0.5124 -0.5124 -0.4939 -0.4939 -0.3341 -0.3341 -0.1158 -0.1158 0.1470 0.1470 0.2063 0.2063 0.2902 0.2902 0.3947 0.3947 0.5777 0.5777 1.0011 1.0011 3.8892 3.8892 4.6921 4.6921 5.4041 5.4041 6.5064 6.5064 6.8893 6.8893 7.3695 7.3695 9.9287 9.9287 11.0106 11.0106 11.7139 11.7139 12.6605 12.6605 k = 0.4070 0.2350-0.0000 ( 3971 PWs) bands (ev): -32.2909 -32.2909 -13.5771 -13.5771 -13.2157 -13.2157 -13.1835 -13.1835 -1.9887 -1.9887 -1.8946 -1.8946 -0.5109 -0.5109 -0.4927 -0.4927 -0.3278 -0.3278 -0.1065 -0.1065 0.1476 0.1476 0.2018 0.2018 0.2898 0.2898 0.4067 0.4067 0.6003 0.6003 0.9987 0.9987 3.8222 3.8222 4.6761 4.6761 5.4232 5.4232 6.4866 6.4866 6.8264 6.8264 7.3502 7.3502 9.9085 9.9085 11.0340 11.0340 11.6651 11.6651 12.7113 12.7113 k = 0.4186 0.2417-0.0000 ( 3965 PWs) bands (ev): -32.2908 -32.2908 -13.5775 -13.5775 -13.2161 -13.2161 -13.1838 -13.1838 -1.9767 -1.9767 -1.8959 -1.8959 -0.5094 -0.5094 -0.4917 -0.4917 -0.3220 -0.3220 -0.0979 -0.0979 0.1485 0.1485 0.1974 0.1974 0.2894 0.2894 0.4167 0.4167 0.6266 0.6266 0.9930 0.9930 3.7619 3.7619 4.6557 4.6557 5.4506 5.4506 6.4690 6.4690 6.7661 6.7661 7.3332 7.3332 9.8905 9.8905 11.0555 11.0555 11.6200 11.6200 12.7620 12.7621 k = 0.4302 0.2484-0.0000 ( 3973 PWs) bands (ev): -32.2908 -32.2908 -13.5778 -13.5778 -13.2165 -13.2165 -13.1841 -13.1841 -1.9658 -1.9658 -1.8975 -1.8975 -0.5081 -0.5081 -0.4909 -0.4909 -0.3171 -0.3171 -0.0903 -0.0903 0.1496 0.1496 0.1928 0.1928 0.2888 0.2888 0.4247 0.4247 0.6559 0.6559 0.9836 0.9836 3.7088 3.7088 4.6335 4.6335 5.4829 5.4829 6.4535 6.4535 6.7093 6.7093 7.3184 7.3184 9.8747 9.8747 11.0752 11.0752 11.5792 11.5792 12.8118 12.8118 k = 0.4419 0.2551-0.0000 ( 3981 PWs) bands (ev): -32.2907 -32.2907 -13.5781 -13.5781 -13.2168 -13.2168 -13.1844 -13.1844 -1.9558 -1.9558 -1.8996 -1.8996 -0.5070 -0.5070 -0.4903 -0.4903 -0.3130 -0.3130 -0.0837 -0.0837 0.1510 0.1510 0.1883 0.1883 0.2884 0.2884 0.4308 0.4308 0.6874 0.6874 0.9705 0.9705 3.6633 3.6633 4.6118 4.6118 5.5172 5.5172 6.4403 6.4403 6.6570 6.6570 7.3059 7.3059 9.8613 9.8613 11.0928 11.0928 11.5433 11.5433 12.8593 12.8593 k = 0.4535 0.2618-0.0000 ( 3982 PWs) bands (ev): -32.2907 -32.2907 -13.5783 -13.5783 -13.2171 -13.2171 -13.1846 -13.1846 -1.9467 -1.9467 -1.9022 -1.9022 -0.5059 -0.5059 -0.4899 -0.4899 -0.3096 -0.3096 -0.0782 -0.0782 0.1526 0.1526 0.1839 0.1839 0.2880 0.2880 0.4354 0.4354 0.7204 0.7204 0.9539 0.9539 3.6256 3.6256 4.5921 4.5921 5.5505 5.5505 6.4295 6.4295 6.6106 6.6106 7.2956 7.2956 9.8503 9.8503 11.1081 11.1081 11.5127 11.5127 12.9032 12.9033 k = 0.4651 0.2685-0.0000 ( 3984 PWs) bands (ev): -32.2907 -32.2907 -13.5785 -13.5785 -13.2173 -13.2173 -13.1847 -13.1847 -1.9386 -1.9386 -1.9053 -1.9053 -0.5051 -0.5051 -0.4896 -0.4896 -0.3069 -0.3069 -0.0739 -0.0739 0.1545 0.1545 0.1798 0.1798 0.2877 0.2877 0.4388 0.4388 0.7538 0.7538 0.9339 0.9339 3.5961 3.5961 4.5757 4.5757 5.5802 5.5802 6.4211 6.4211 6.5716 6.5716 7.2876 7.2876 9.8416 9.8416 11.1207 11.1207 11.4879 11.4879 12.9414 12.9415 k = 0.4767 0.2752-0.0000 ( 3992 PWs) bands (ev): -32.2907 -32.2907 -13.5786 -13.5786 -13.2175 -13.2175 -13.1848 -13.1848 -1.9315 -1.9315 -1.9089 -1.9089 -0.5046 -0.5046 -0.4894 -0.4894 -0.3050 -0.3050 -0.0708 -0.0708 0.1564 0.1564 0.1761 0.1761 0.2875 0.2875 0.4410 0.4410 0.7868 0.7868 0.9108 0.9108 3.5749 3.5749 4.5634 4.5634 5.6037 5.6037 6.4151 6.4151 6.5418 6.5418 7.2819 7.2819 9.8354 9.8354 11.1303 11.1303 11.4696 11.4696 12.9714 12.9782 k = 0.4884 0.2820-0.0000 ( 3976 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2176 -13.2176 -13.1848 -13.1848 -1.9254 -1.9254 -1.9127 -1.9127 -0.5042 -0.5042 -0.4892 -0.4892 -0.3037 -0.3037 -0.0688 -0.0688 0.1582 0.1582 0.1736 0.1736 0.2875 0.2875 0.4424 0.4424 0.8178 0.8178 0.8861 0.8861 3.5621 3.5621 4.5558 4.5558 5.6189 5.6189 6.4115 6.4115 6.5229 6.5229 7.2785 7.2785 9.8317 9.8317 11.1364 11.1364 11.4583 11.4583 12.9914 13.0250 k = 0.5000 0.2887-0.0000 ( 3980 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9220 -1.9220 -1.9154 -1.9154 -0.5041 -0.5041 -0.4892 -0.4892 -0.3034 -0.3034 -0.0682 -0.0682 0.1589 0.1589 0.1724 0.1724 0.2874 0.2874 0.4428 0.4428 0.8372 0.8372 0.8688 0.8688 3.5578 3.5578 4.5533 4.5533 5.6242 5.6242 6.4104 6.4104 6.5165 6.5165 7.2774 7.2774 9.8304 9.8304 11.1384 11.1384 11.4544 11.4544 13.0219 13.0388 k = 0.5000 0.2887-0.0000 ( 3980 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9220 -1.9220 -1.9154 -1.9154 -0.5041 -0.5041 -0.4892 -0.4892 -0.3034 -0.3034 -0.0682 -0.0682 0.1589 0.1589 0.1724 0.1724 0.2874 0.2874 0.4428 0.4428 0.8372 0.8372 0.8688 0.8688 3.5578 3.5578 4.5533 4.5533 5.6242 5.6242 6.4104 6.4104 6.5165 6.5165 7.2774 7.2774 9.8304 9.8304 11.1384 11.1384 11.4544 11.4544 13.0042 13.0304 k = 0.4933 0.3002-0.0000 ( 3980 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9226 -1.9226 -1.9146 -1.9146 -0.5043 -0.5043 -0.4888 -0.4888 -0.3036 -0.3036 -0.0680 -0.0680 0.1584 0.1584 0.1732 0.1732 0.2874 0.2874 0.4427 0.4427 0.8368 0.8368 0.8701 0.8701 3.5591 3.5591 4.5526 4.5526 5.6254 5.6254 6.4011 6.4011 6.5175 6.5175 7.2745 7.2745 9.8402 9.8402 11.1395 11.1395 11.4544 11.4544 12.9981 12.9983 k = 0.4867 0.3118-0.0000 ( 3994 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2175 -13.2175 -13.1851 -13.1851 -1.9237 -1.9237 -1.9126 -1.9126 -0.5052 -0.5052 -0.4880 -0.4880 -0.3043 -0.3043 -0.0677 -0.0677 0.1571 0.1571 0.1749 0.1749 0.2874 0.2874 0.4421 0.4421 0.8359 0.8359 0.8739 0.8739 3.5627 3.5627 4.5504 4.5504 5.6288 5.6288 6.3744 6.3744 6.5199 6.5199 7.2661 7.2661 9.8692 9.8692 11.1426 11.1426 11.4543 11.4543 12.9988 13.0002 k = 0.4800 0.3233-0.0000 ( 3994 PWs) bands (ev): -32.2906 -32.2906 -13.5788 -13.5788 -13.2174 -13.2174 -13.1853 -13.1853 -1.9249 -1.9249 -1.9101 -1.9101 -0.5064 -0.5064 -0.4866 -0.4866 -0.3054 -0.3054 -0.0671 -0.0671 0.1556 0.1556 0.1774 0.1774 0.2876 0.2876 0.4413 0.4413 0.8349 0.8349 0.8797 0.8797 3.5689 3.5689 4.5468 4.5468 5.6345 5.6345 6.3324 6.3324 6.5225 6.5225 7.2522 7.2522 9.9164 9.9164 11.1477 11.1477 11.4540 11.4540 12.9752 12.9758 k = 0.4733 0.3349-0.0000 ( 3994 PWs) bands (ev): -32.2906 -32.2906 -13.5788 -13.5788 -13.2173 -13.2173 -13.1856 -13.1856 -1.9260 -1.9260 -1.9072 -1.9072 -0.5077 -0.5077 -0.4850 -0.4850 -0.3067 -0.3067 -0.0662 -0.0662 0.1543 0.1543 0.1802 0.1802 0.2877 0.2877 0.4401 0.4401 0.8342 0.8342 0.8871 0.8871 3.5774 3.5774 4.5417 4.5417 5.6425 5.6425 6.2771 6.2771 6.5247 6.5247 7.2333 7.2333 9.9802 9.9802 11.1546 11.1546 11.4536 11.4536 12.9264 12.9265 k = 0.4667 0.3464-0.0000 ( 3990 PWs) bands (ev): -32.2906 -32.2906 -13.5788 -13.5788 -13.2171 -13.2171 -13.1860 -13.1860 -1.9269 -1.9269 -1.9040 -1.9040 -0.5092 -0.5092 -0.4831 -0.4831 -0.3084 -0.3084 -0.0651 -0.0651 0.1534 0.1534 0.1832 0.1832 0.2880 0.2880 0.4386 0.4386 0.8340 0.8340 0.8960 0.8960 3.5884 3.5884 4.5352 4.5352 5.6528 5.6528 6.2102 6.2102 6.5264 6.5264 7.2097 7.2097 10.0588 10.0588 11.1628 11.1628 11.4529 11.4529 12.8639 12.8639 k = 0.4600 0.3580-0.0000 ( 3990 PWs) bands (ev): -32.2906 -32.2906 -13.5788 -13.5788 -13.2169 -13.2169 -13.1864 -13.1864 -1.9275 -1.9275 -1.9006 -1.9006 -0.5107 -0.5107 -0.4811 -0.4811 -0.3104 -0.3104 -0.0639 -0.0639 0.1529 0.1529 0.1862 0.1862 0.2883 0.2883 0.4365 0.4365 0.8343 0.8343 0.9060 0.9060 3.6018 3.6018 4.5272 4.5272 5.6652 5.6652 6.1336 6.1336 6.5277 6.5277 7.1819 7.1819 10.1499 10.1499 11.1723 11.1723 11.4518 11.4518 12.7909 12.7909 k = 0.4533 0.3695-0.0000 ( 3986 PWs) bands (ev): -32.2906 -32.2906 -13.5789 -13.5789 -13.2166 -13.2166 -13.1869 -13.1869 -1.9279 -1.9279 -1.8970 -1.8970 -0.5122 -0.5122 -0.4789 -0.4789 -0.3126 -0.3126 -0.0625 -0.0625 0.1530 0.1530 0.1893 0.1893 0.2887 0.2887 0.4341 0.4341 0.8352 0.8352 0.9170 0.9170 3.6176 3.6176 4.5178 4.5178 5.6797 5.6797 6.0491 6.0491 6.5285 6.5285 7.1505 7.1505 10.2514 10.2514 11.1826 11.1826 11.4503 11.4503 12.7110 12.7110 k = 0.4467 0.3811-0.0000 ( 3986 PWs) bands (ev): -32.2906 -32.2906 -13.5789 -13.5789 -13.2163 -13.2163 -13.1875 -13.1875 -1.9281 -1.9281 -1.8933 -1.8933 -0.5136 -0.5136 -0.4767 -0.4767 -0.3150 -0.3150 -0.0612 -0.0612 0.1537 0.1537 0.1923 0.1923 0.2891 0.2891 0.4311 0.4311 0.8367 0.8367 0.9290 0.9290 3.6358 3.6358 4.5068 4.5068 5.6960 5.6960 5.9589 5.9589 6.5286 6.5286 7.1160 7.1160 10.3611 10.3611 11.1935 11.1935 11.4482 11.4482 12.6271 12.6271 k = 0.4400 0.3926-0.0000 ( 3986 PWs) bands (ev): -32.2905 -32.2905 -13.5790 -13.5790 -13.2160 -13.2160 -13.1881 -13.1881 -1.9281 -1.9281 -1.8895 -1.8895 -0.5151 -0.5151 -0.4745 -0.4745 -0.3176 -0.3176 -0.0598 -0.0598 0.1549 0.1549 0.1954 0.1954 0.2896 0.2896 0.4277 0.4277 0.8388 0.8388 0.9418 0.9418 3.6563 3.6563 4.4944 4.4944 5.7133 5.7133 5.8653 5.8653 6.5281 6.5281 7.0791 7.0791 10.4769 10.4769 11.2048 11.2048 11.4454 11.4454 12.5420 12.5420 k = 0.4333 0.4041-0.0000 ( 3990 PWs) bands (ev): -32.2905 -32.2905 -13.5791 -13.5791 -13.2157 -13.2157 -13.1888 -13.1888 -1.9279 -1.9279 -1.8856 -1.8856 -0.5166 -0.5166 -0.4723 -0.4723 -0.3204 -0.3204 -0.0584 -0.0584 0.1567 0.1567 0.1985 0.1985 0.2902 0.2902 0.4237 0.4237 0.8414 0.8414 0.9552 0.9552 3.6790 3.6790 4.4805 4.4805 5.7218 5.7218 5.7795 5.7795 6.5267 6.5267 7.0405 7.0405 10.5967 10.5967 11.2165 11.2165 11.4416 11.4416 12.4580 12.4580 k = 0.4267 0.4157-0.0000 ( 3998 PWs) bands (ev): -32.2905 -32.2905 -13.5792 -13.5792 -13.2153 -13.2153 -13.1896 -13.1896 -1.9276 -1.9276 -1.8817 -1.8817 -0.5179 -0.5179 -0.4701 -0.4701 -0.3232 -0.3232 -0.0571 -0.0571 0.1588 0.1588 0.2017 0.2017 0.2908 0.2908 0.4193 0.4193 0.8447 0.8447 0.9691 0.9691 3.7040 3.7040 4.4651 4.4651 5.6547 5.6547 5.7697 5.7697 6.5242 6.5242 7.0007 7.0007 10.7183 10.7183 11.2284 11.2284 11.4369 11.4369 12.3770 12.3770 k = 0.4200 0.4272-0.0000 ( 3982 PWs) bands (ev): -32.2905 -32.2905 -13.5792 -13.5792 -13.2149 -13.2149 -13.1903 -13.1903 -1.9270 -1.9270 -1.8778 -1.8778 -0.5191 -0.5191 -0.4677 -0.4677 -0.3260 -0.3260 -0.0557 -0.0557 0.1615 0.1615 0.2053 0.2053 0.2916 0.2916 0.4147 0.4147 0.8485 0.8485 0.9834 0.9834 3.7312 3.7312 4.4484 4.4484 5.5571 5.5571 5.7919 5.7919 6.5206 6.5206 6.9605 6.9605 10.8394 10.8394 11.2406 11.2406 11.4312 11.4312 12.3009 12.3009 k = 0.4133 0.4388-0.0000 ( 3970 PWs) bands (ev): -32.2904 -32.2904 -13.5793 -13.5793 -13.2144 -13.2144 -13.1910 -13.1910 -1.9263 -1.9263 -1.8739 -1.8739 -0.5202 -0.5202 -0.4654 -0.4654 -0.3287 -0.3287 -0.0544 -0.0544 0.1641 0.1641 0.2093 0.2093 0.2924 0.2924 0.4096 0.4096 0.8528 0.8528 0.9977 0.9977 3.7605 3.7605 4.4303 4.4303 5.4578 5.4578 5.8185 5.8185 6.5154 6.5154 6.9203 6.9203 10.9573 10.9573 11.2531 11.2531 11.4249 11.4249 12.2315 12.2315 k = 0.4067 0.4503-0.0000 ( 3970 PWs) bands (ev): -32.2904 -32.2904 -13.5793 -13.5793 -13.2140 -13.2140 -13.1919 -13.1919 -1.9256 -1.9256 -1.8702 -1.8702 -0.5212 -0.5212 -0.4632 -0.4632 -0.3314 -0.3314 -0.0531 -0.0531 0.1667 0.1667 0.2136 0.2136 0.2932 0.2932 0.4041 0.4041 0.8575 0.8575 1.0118 1.0118 3.7917 3.7917 4.4109 4.4109 5.3596 5.3596 5.8476 5.8476 6.5085 6.5085 6.8808 6.8808 11.0681 11.0681 11.2660 11.2660 11.4192 11.4192 12.1707 12.1707 k = 0.4000 0.4619-0.0000 ( 3974 PWs) bands (ev): -32.2904 -32.2904 -13.5794 -13.5794 -13.2135 -13.2135 -13.1927 -13.1927 -1.9247 -1.9247 -1.8666 -1.8666 -0.5223 -0.5223 -0.4611 -0.4611 -0.3340 -0.3340 -0.0519 -0.0519 0.1692 0.1692 0.2182 0.2182 0.2939 0.2939 0.3985 0.3985 0.8627 0.8627 1.0256 1.0256 3.8247 3.8247 4.3903 4.3903 5.2637 5.2637 5.8787 5.8787 6.4997 6.4997 6.8424 6.8424 11.1658 11.1658 11.2796 11.2796 11.4174 11.4174 12.1208 12.1208 k = 0.3933 0.4734-0.0000 ( 3964 PWs) bands (ev): -32.2904 -32.2904 -13.5795 -13.5795 -13.2130 -13.2130 -13.1935 -13.1935 -1.9238 -1.9238 -1.8631 -1.8631 -0.5231 -0.5231 -0.4590 -0.4590 -0.3364 -0.3364 -0.0507 -0.0507 0.1714 0.1714 0.2234 0.2234 0.2948 0.2948 0.3927 0.3927 0.8683 0.8683 1.0388 1.0388 3.8594 3.8594 4.3687 4.3687 5.1713 5.1713 5.9117 5.9117 6.4888 6.4888 6.8058 6.8058 11.2387 11.2387 11.2940 11.2940 11.4276 11.4276 12.0844 12.0844 k = 0.3867 0.4850-0.0000 ( 3966 PWs) bands (ev): -32.2903 -32.2903 -13.5796 -13.5796 -13.2126 -13.2126 -13.1943 -13.1943 -1.9229 -1.9229 -1.8600 -1.8600 -0.5238 -0.5238 -0.4571 -0.4571 -0.3386 -0.3386 -0.0496 -0.0496 0.1733 0.1733 0.2288 0.2288 0.2957 0.2957 0.3868 0.3868 0.8741 0.8741 1.0510 1.0510 3.8955 3.8955 4.3462 4.3462 5.0833 5.0833 5.9465 5.9465 6.4754 6.4754 6.7712 6.7712 11.2747 11.2747 11.3087 11.3087 11.4585 11.4585 12.0651 12.0651 k = 0.3800 0.4965-0.0000 ( 3952 PWs) bands (ev): -32.2903 -32.2903 -13.5796 -13.5796 -13.2121 -13.2121 -13.1950 -13.1950 -1.9220 -1.9220 -1.8570 -1.8570 -0.5244 -0.5244 -0.4552 -0.4552 -0.3406 -0.3406 -0.0484 -0.0484 0.1749 0.1749 0.2344 0.2344 0.2967 0.2967 0.3811 0.3811 0.8803 0.8803 1.0621 1.0621 3.9327 3.9327 4.3230 4.3230 5.0008 5.0008 5.9828 5.9828 6.4594 6.4594 6.7392 6.7392 11.2807 11.2807 11.3239 11.3239 11.4991 11.4991 12.0662 12.0662 k = 0.3733 0.5081-0.0000 ( 3954 PWs) bands (ev): -32.2903 -32.2903 -13.5797 -13.5797 -13.2116 -13.2116 -13.1958 -13.1958 -1.9210 -1.9210 -1.8544 -1.8544 -0.5250 -0.5250 -0.4536 -0.4536 -0.3424 -0.3424 -0.0474 -0.0474 0.1761 0.1761 0.2398 0.2398 0.2977 0.2977 0.3754 0.3754 0.8865 0.8865 1.0719 1.0719 3.9705 3.9705 4.2994 4.2994 4.9248 4.9248 6.0205 6.0205 6.4405 6.4405 6.7100 6.7100 11.2722 11.2722 11.3407 11.3407 11.5308 11.5308 12.0891 12.0891 k = 0.3667 0.5196-0.0000 ( 3946 PWs) bands (ev): -32.2903 -32.2903 -13.5797 -13.5797 -13.2112 -13.2112 -13.1964 -13.1964 -1.9202 -1.9202 -1.8521 -1.8521 -0.5254 -0.5254 -0.4521 -0.4521 -0.3439 -0.3439 -0.0464 -0.0464 0.1771 0.1771 0.2449 0.2449 0.2990 0.2990 0.3701 0.3701 0.8928 0.8928 1.0801 1.0801 4.0084 4.0084 4.2756 4.2756 4.8564 4.8564 6.0594 6.0594 6.4187 6.4187 6.6842 6.6842 11.2586 11.2586 11.3591 11.3591 11.5467 11.5467 12.1311 12.1311 k = 0.3600 0.5312-0.0000 ( 3953 PWs) bands (ev): -32.2903 -32.2903 -13.5798 -13.5798 -13.2109 -13.2109 -13.1970 -13.1970 -1.9194 -1.9194 -1.8502 -1.8502 -0.5258 -0.5258 -0.4509 -0.4509 -0.3452 -0.3452 -0.0455 -0.0455 0.1777 0.1777 0.2493 0.2493 0.3002 0.3002 0.3653 0.3653 0.8986 0.8986 1.0867 1.0867 4.0454 4.0454 4.2519 4.2519 4.7970 4.7970 6.0993 6.0993 6.3938 6.3938 6.6621 6.6621 11.2441 11.2441 11.3789 11.3789 11.5481 11.5481 12.1862 12.1862 k = 0.3533 0.5427-0.0000 ( 3951 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2105 -13.2105 -13.1975 -13.1975 -1.9188 -1.9188 -1.8487 -1.8487 -0.5260 -0.5260 -0.4500 -0.4500 -0.3461 -0.3461 -0.0447 -0.0447 0.1782 0.1782 0.2530 0.2530 0.3015 0.3015 0.3612 0.3612 0.9040 0.9040 1.0915 1.0915 4.0804 4.0804 4.2287 4.2287 4.7480 4.7480 6.1399 6.1399 6.3656 6.3656 6.6439 6.6439 11.2310 11.2310 11.4002 11.4002 11.5390 11.5390 12.2474 12.2474 k = 0.3467 0.5543-0.0000 ( 3955 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2103 -13.2103 -13.1979 -13.1979 -1.9182 -1.9182 -1.8476 -1.8476 -0.5262 -0.5262 -0.4493 -0.4493 -0.3468 -0.3468 -0.0442 -0.0442 0.1784 0.1784 0.2556 0.2556 0.3027 0.3027 0.3580 0.3580 0.9085 0.9085 1.0946 1.0946 4.1120 4.1120 4.2066 4.2066 4.7113 4.7113 6.1808 6.1808 6.3343 6.3343 6.6303 6.6303 11.2206 11.2206 11.4231 11.4231 11.5226 11.5226 12.3089 12.3089 k = 0.3400 0.5658-0.0000 ( 3951 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2102 -13.2102 -13.1981 -13.1981 -1.9179 -1.9179 -1.8469 -1.8469 -0.5263 -0.5263 -0.4488 -0.4488 -0.3472 -0.3472 -0.0437 -0.0437 0.1786 0.1786 0.2571 0.2571 0.3036 0.3036 0.3560 0.3560 0.9117 0.9117 1.0963 1.0963 4.1379 4.1379 4.1868 4.1868 4.6884 4.6884 6.2215 6.2215 6.2997 6.2997 6.6217 6.6217 11.2140 11.2140 11.4474 11.4474 11.5012 11.5012 12.3661 12.3661 k = 0.3333 0.5774-0.0000 ( 3951 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1982 -13.1982 -1.9178 -1.9178 -1.8467 -1.8467 -0.5263 -0.5263 -0.4486 -0.4486 -0.3474 -0.3474 -0.0436 -0.0436 0.1786 0.1786 0.2576 0.2576 0.3040 0.3040 0.3553 0.3553 0.9129 0.9129 1.0968 1.0968 4.1510 4.1510 4.1757 4.1757 4.6806 4.6806 6.2580 6.2580 6.2654 6.2654 6.6186 6.6186 11.2117 11.2117 11.4680 11.4680 11.4814 11.4814 12.4101 12.4103 k = 0.3333 0.5774-0.0000 ( 3951 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1982 -13.1982 -1.9178 -1.9178 -1.8467 -1.8467 -0.5263 -0.5263 -0.4486 -0.4486 -0.3474 -0.3474 -0.0436 -0.0436 0.1786 0.1786 0.2576 0.2576 0.3040 0.3040 0.3553 0.3553 0.9129 0.9129 1.0968 1.0968 4.1510 4.1510 4.1757 4.1757 4.6806 4.6806 6.2580 6.2580 6.2654 6.2654 6.6186 6.6186 11.2117 11.2117 11.4680 11.4680 11.4814 11.4814 12.4100 12.4104 k = 0.3265 0.5656-0.0000 ( 3951 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2102 -13.2102 -13.1981 -13.1981 -1.9179 -1.9179 -1.8469 -1.8469 -0.5263 -0.5263 -0.4488 -0.4488 -0.3472 -0.3472 -0.0437 -0.0437 0.1786 0.1786 0.2572 0.2572 0.3036 0.3036 0.3560 0.3560 0.9114 0.9114 1.0965 1.0965 4.1410 4.1410 4.1839 4.1839 4.6885 4.6885 6.2198 6.2198 6.3012 6.3012 6.6220 6.6220 11.2141 11.2141 11.4446 11.4446 11.5042 11.5042 12.3704 12.3704 k = 0.3197 0.5538-0.0000 ( 3953 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2103 -13.2103 -13.1979 -13.1979 -1.9184 -1.9184 -1.8476 -1.8476 -0.5263 -0.5263 -0.4493 -0.4493 -0.3469 -0.3469 -0.0443 -0.0443 0.1785 0.1785 0.2559 0.2559 0.3025 0.3025 0.3579 0.3579 0.9065 0.9065 1.0959 1.0959 4.1265 4.1265 4.1944 4.1944 4.7114 4.7114 6.1750 6.1750 6.3379 6.3379 6.6329 6.6329 11.2214 11.2214 11.4133 11.4133 11.5343 11.5343 12.3256 12.3256 k = 0.3129 0.5420-0.0000 ( 3967 PWs) bands (ev): -32.2903 -32.2903 -13.5799 -13.5799 -13.2105 -13.2105 -13.1975 -13.1975 -1.9193 -1.9193 -1.8488 -1.8488 -0.5262 -0.5262 -0.4502 -0.4502 -0.3464 -0.3464 -0.0455 -0.0455 0.1784 0.1784 0.2538 0.2538 0.3008 0.3008 0.3604 0.3604 0.8976 0.8976 1.0954 1.0954 4.1139 4.1139 4.2033 4.2033 4.7468 4.7468 6.1274 6.1274 6.3716 6.3716 6.6517 6.6517 11.2330 11.2330 11.3806 11.3806 11.5664 11.5664 12.2810 12.2810 k = 0.3061 0.5302-0.0000 ( 3959 PWs) bands (ev): -32.2903 -32.2903 -13.5798 -13.5798 -13.2108 -13.2108 -13.1971 -13.1971 -1.9207 -1.9207 -1.8502 -1.8502 -0.5260 -0.5260 -0.4513 -0.4513 -0.3457 -0.3457 -0.0470 -0.0470 0.1785 0.1785 0.2514 0.2514 0.2990 0.2990 0.3636 0.3636 0.8846 0.8846 1.0954 1.0954 4.1043 4.1043 4.2122 4.2122 4.7925 4.7925 6.0774 6.0774 6.4020 6.4020 6.6786 6.6786 11.2464 11.2464 11.3492 11.3492 11.6000 11.6000 12.2369 12.2369 k = 0.2993 0.5184-0.0000 ( 3959 PWs) bands (ev): -32.2903 -32.2903 -13.5797 -13.5797 -13.2110 -13.2110 -13.1965 -13.1965 -1.9226 -1.9226 -1.8521 -1.8521 -0.5258 -0.5258 -0.4528 -0.4528 -0.3450 -0.3450 -0.0492 -0.0492 0.1786 0.1786 0.2485 0.2485 0.2969 0.2969 0.3669 0.3669 0.8673 0.8673 1.0959 1.0959 4.0983 4.0983 4.2231 4.2231 4.8460 4.8460 6.0252 6.0252 6.4295 6.4295 6.7131 6.7131 11.2525 11.2525 11.3284 11.3284 11.6347 11.6347 12.1937 12.1937 k = 0.2925 0.5067-0.0000 ( 3949 PWs) bands (ev): -32.2903 -32.2903 -13.5795 -13.5795 -13.2113 -13.2113 -13.1958 -13.1958 -1.9252 -1.9252 -1.8542 -1.8542 -0.5255 -0.5255 -0.4545 -0.4545 -0.3443 -0.3443 -0.0521 -0.0521 0.1790 0.1790 0.2453 0.2453 0.2950 0.2950 0.3701 0.3701 0.8461 0.8461 1.0967 1.0967 4.0964 4.0964 4.2371 4.2371 4.9055 4.9055 5.9713 5.9713 6.4550 6.4550 6.7541 6.7541 11.2349 11.2349 11.3348 11.3348 11.6701 11.6701 12.1519 12.1519 k = 0.2857 0.4949-0.0000 ( 3945 PWs) bands (ev): -32.2903 -32.2903 -13.5794 -13.5794 -13.2115 -13.2115 -13.1951 -13.1951 -1.9286 -1.9286 -1.8565 -1.8565 -0.5253 -0.5253 -0.4566 -0.4566 -0.3436 -0.3436 -0.0558 -0.0558 0.1795 0.1795 0.2418 0.2418 0.2931 0.2931 0.3731 0.3731 0.8216 0.8216 1.0974 1.0974 4.0990 4.0990 4.2551 4.2551 4.9698 4.9698 5.9164 5.9164 6.4797 6.4797 6.8003 6.8003 11.2008 11.2008 11.3608 11.3608 11.7051 11.7051 12.1126 12.1126 k = 0.2789 0.4831-0.0000 ( 3957 PWs) bands (ev): -32.2904 -32.2904 -13.5792 -13.5792 -13.2118 -13.2118 -13.1944 -13.1944 -1.9329 -1.9329 -1.8590 -1.8590 -0.5252 -0.5252 -0.4590 -0.4590 -0.3432 -0.3432 -0.0603 -0.0603 0.1800 0.1800 0.2381 0.2381 0.2914 0.2914 0.3755 0.3755 0.7943 0.7943 1.0976 1.0976 4.1064 4.1064 4.2774 4.2774 5.0375 5.0375 5.8610 5.8610 6.5047 6.5047 6.8505 6.8505 11.1613 11.1613 11.3950 11.3950 11.7379 11.7379 12.0775 12.0775 k = 0.2721 0.4713-0.0000 ( 3951 PWs) bands (ev): -32.2904 -32.2904 -13.5790 -13.5790 -13.2119 -13.2119 -13.1936 -13.1936 -1.9381 -1.9381 -1.8615 -1.8615 -0.5251 -0.5251 -0.4616 -0.4616 -0.3430 -0.3430 -0.0656 -0.0656 0.1807 0.1807 0.2344 0.2344 0.2899 0.2899 0.3774 0.3774 0.7651 0.7651 1.0971 1.0971 4.1188 4.1188 4.3039 4.3039 5.1079 5.1079 5.8061 5.8061 6.5307 6.5307 6.9039 6.9039 11.1198 11.1198 11.4334 11.4334 11.7654 11.7654 12.0497 12.0497 k = 0.2653 0.4595-0.0000 ( 3951 PWs) bands (ev): -32.2905 -32.2905 -13.5787 -13.5787 -13.2121 -13.2121 -13.1927 -13.1927 -1.9445 -1.9445 -1.8639 -1.8639 -0.5250 -0.5250 -0.4643 -0.4643 -0.3431 -0.3431 -0.0718 -0.0718 0.1815 0.1815 0.2307 0.2307 0.2887 0.2887 0.3786 0.3786 0.7347 0.7347 1.0955 1.0955 4.1366 4.1366 4.3344 4.3344 5.1797 5.1797 5.7528 5.7528 6.5583 6.5583 6.9596 6.9596 11.0776 11.0776 11.4741 11.4741 11.7823 11.7823 12.0344 12.0344 k = 0.2585 0.4477-0.0000 ( 3947 PWs) bands (ev): -32.2905 -32.2905 -13.5784 -13.5784 -13.2122 -13.2122 -13.1919 -13.1919 -1.9521 -1.9521 -1.8663 -1.8663 -0.5250 -0.5250 -0.4672 -0.4672 -0.3436 -0.3436 -0.0788 -0.0788 0.1822 0.1822 0.2272 0.2272 0.2877 0.2877 0.3789 0.3789 0.7040 0.7040 1.0925 1.0925 4.1600 4.1600 4.3682 4.3682 5.2515 5.2515 5.7032 5.7032 6.5878 6.5878 7.0172 7.0172 11.0353 11.0353 11.5154 11.5154 11.7833 11.7833 12.0364 12.0364 k = 0.2517 0.4360-0.0000 ( 3955 PWs) bands (ev): -32.2906 -32.2906 -13.5781 -13.5781 -13.2123 -13.2123 -13.1910 -13.1910 -1.9608 -1.9608 -1.8687 -1.8687 -0.5251 -0.5251 -0.4703 -0.4703 -0.3447 -0.3447 -0.0867 -0.0867 0.1826 0.1826 0.2240 0.2240 0.2870 0.2870 0.3782 0.3782 0.6735 0.6735 1.0880 1.0880 4.1890 4.1890 4.4043 4.4043 5.3204 5.3204 5.6608 5.6608 6.6196 6.6196 7.0762 7.0762 10.9934 10.9934 11.5556 11.5556 11.7683 11.7683 12.0559 12.0559 k = 0.2449 0.4242-0.0000 ( 3947 PWs) bands (ev): -32.2907 -32.2907 -13.5777 -13.5777 -13.2122 -13.2122 -13.1901 -13.1901 -1.9708 -1.9708 -1.8709 -1.8709 -0.5253 -0.5253 -0.4734 -0.4734 -0.3464 -0.3464 -0.0953 -0.0953 0.1826 0.1826 0.2216 0.2216 0.2864 0.2864 0.3763 0.3763 0.6442 0.6442 1.0820 1.0820 4.2238 4.2238 4.4416 4.4416 5.3801 5.3801 5.6329 5.6329 6.6538 6.6538 7.1364 7.1364 10.9521 10.9521 11.5927 11.5927 11.7419 11.7419 12.0876 12.0876 k = 0.2381 0.4124-0.0000 ( 3951 PWs) bands (ev): -32.2907 -32.2907 -13.5774 -13.5774 -13.2122 -13.2122 -13.1891 -13.1891 -1.9820 -1.9820 -1.8731 -1.8731 -0.5257 -0.5257 -0.4766 -0.4766 -0.3488 -0.3488 -0.1047 -0.1047 0.1817 0.1817 0.2201 0.2201 0.2858 0.2858 0.3732 0.3732 0.6168 0.6168 1.0743 1.0743 4.2643 4.2643 4.4783 4.4783 5.4177 5.4177 5.6338 5.6338 6.6904 6.6904 7.1974 7.1974 10.9117 10.9117 11.6244 11.6244 11.7090 11.7090 12.1261 12.1261 k = 0.2313 0.4006-0.0000 ( 3947 PWs) bands (ev): -32.2908 -32.2908 -13.5769 -13.5769 -13.2121 -13.2121 -13.1882 -13.1882 -1.9944 -1.9944 -1.8752 -1.8752 -0.5262 -0.5262 -0.4799 -0.4799 -0.3519 -0.3519 -0.1147 -0.1147 0.1799 0.1799 0.2198 0.2198 0.2850 0.2850 0.3687 0.3687 0.5920 0.5920 1.0649 1.0649 4.3106 4.3106 4.5123 4.5123 5.4264 5.4264 5.6723 5.6723 6.7296 6.7296 7.2590 7.2590 10.8726 10.8726 11.6480 11.6480 11.6736 11.6736 12.1675 12.1675 k = 0.2245 0.3888-0.0000 ( 3945 PWs) bands (ev): -32.2909 -32.2909 -13.5765 -13.5765 -13.2120 -13.2120 -13.1872 -13.1872 -2.0080 -2.0080 -1.8773 -1.8773 -0.5268 -0.5268 -0.4831 -0.4831 -0.3560 -0.3560 -0.1252 -0.1252 0.1771 0.1771 0.2206 0.2206 0.2837 0.2837 0.3631 0.3631 0.5701 0.5701 1.0540 1.0540 4.3625 4.3625 4.5411 4.5411 5.4209 5.4209 5.7357 5.7357 6.7714 6.7714 7.3211 7.3211 10.8348 10.8348 11.6324 11.6324 11.6667 11.6667 12.2091 12.2091 k = 0.2177 0.3770-0.0000 ( 3949 PWs) bands (ev): -32.2910 -32.2910 -13.5760 -13.5760 -13.2118 -13.2118 -13.1862 -13.1862 -2.0227 -2.0227 -1.8795 -1.8795 -0.5277 -0.5277 -0.4864 -0.4864 -0.3610 -0.3610 -0.1362 -0.1362 0.1734 0.1734 0.2223 0.2223 0.2813 0.2813 0.3569 0.3569 0.5516 0.5516 1.0416 1.0416 4.4200 4.4200 4.5619 4.5619 5.4176 5.4176 5.8104 5.8104 6.8157 6.8157 7.3833 7.3833 10.7986 10.7986 11.5934 11.5934 11.6722 11.6722 12.2487 12.2487 k = 0.2109 0.3653-0.0000 ( 3941 PWs) bands (ev): -32.2911 -32.2911 -13.5755 -13.5755 -13.2116 -13.2116 -13.1851 -13.1851 -2.0385 -2.0385 -1.8816 -1.8816 -0.5286 -0.5286 -0.4896 -0.4896 -0.3668 -0.3668 -0.1474 -0.1474 0.1693 0.1693 0.2248 0.2248 0.2775 0.2775 0.3510 0.3510 0.5364 0.5364 1.0277 1.0277 4.4828 4.4828 4.5721 4.5721 5.4250 5.4250 5.8899 5.8899 6.8625 6.8625 7.4457 7.4457 10.7641 10.7641 11.5532 11.5532 11.6685 11.6685 12.2839 12.2839 k = 0.2041 0.3535-0.0000 ( 3939 PWs) bands (ev): -32.2912 -32.2912 -13.5750 -13.5750 -13.2113 -13.2113 -13.1841 -13.1841 -2.0553 -2.0553 -1.8838 -1.8838 -0.5299 -0.5299 -0.4928 -0.4928 -0.3738 -0.3738 -0.1588 -0.1588 0.1648 0.1648 0.2276 0.2276 0.2716 0.2716 0.3463 0.3463 0.5242 0.5242 1.0126 1.0126 4.5507 4.5507 4.5705 4.5705 5.4468 5.4468 5.9718 5.9718 6.9119 6.9119 7.5079 7.5079 10.7315 10.7315 11.5123 11.5123 11.6560 11.6560 12.3123 12.3123 k = 0.1973 0.3417-0.0000 ( 3945 PWs) bands (ev): -32.2913 -32.2913 -13.5745 -13.5745 -13.2111 -13.2111 -13.1830 -13.1830 -2.0730 -2.0730 -1.8861 -1.8861 -0.5315 -0.5315 -0.4959 -0.4959 -0.3819 -0.3819 -0.1703 -0.1703 0.1600 0.1600 0.2305 0.2305 0.2637 0.2637 0.3434 0.3434 0.5145 0.5145 0.9963 0.9963 4.5566 4.5566 4.6239 4.6239 5.4841 5.4841 6.0546 6.0546 6.9637 6.9637 7.5698 7.5698 10.7006 10.7006 11.4708 11.4708 11.6361 11.6361 12.3303 12.3304 k = 0.1905 0.3299-0.0000 ( 3951 PWs) bands (ev): -32.2914 -32.2914 -13.5739 -13.5739 -13.2108 -13.2108 -13.1820 -13.1820 -2.0917 -2.0917 -1.8885 -1.8885 -0.5333 -0.5333 -0.4989 -0.4989 -0.3909 -0.3909 -0.1815 -0.1815 0.1551 0.1551 0.2330 0.2330 0.2545 0.2545 0.3426 0.3426 0.5069 0.5069 0.9791 0.9791 4.5323 4.5323 4.7016 4.7016 5.5360 5.5360 6.1375 6.1375 7.0178 7.0178 7.6313 7.6313 10.6715 10.6715 11.4285 11.4285 11.6103 11.6103 12.3220 12.3221 k = 0.1837 0.3181-0.0000 ( 3953 PWs) bands (ev): -32.2915 -32.2915 -13.5734 -13.5734 -13.2105 -13.2105 -13.1809 -13.1809 -2.1112 -2.1112 -1.8911 -1.8911 -0.5354 -0.5354 -0.5017 -0.5017 -0.4008 -0.4008 -0.1925 -0.1925 0.1503 0.1503 0.2331 0.2331 0.2469 0.2469 0.3437 0.3437 0.5008 0.5008 0.9611 0.9611 4.4994 4.4994 4.7838 4.7838 5.6007 5.6007 6.2200 6.2200 7.0743 7.0743 7.6922 7.6922 10.6442 10.6442 11.3852 11.3852 11.5802 11.5802 12.2870 12.2870 k = 0.1769 0.3063-0.0000 ( 3953 PWs) bands (ev): -32.2916 -32.2916 -13.5728 -13.5728 -13.2101 -13.2101 -13.1797 -13.1797 -2.1313 -2.1313 -1.8937 -1.8937 -0.5378 -0.5378 -0.5044 -0.5044 -0.4114 -0.4114 -0.2031 -0.2031 0.1456 0.1456 0.2265 0.2265 0.2456 0.2456 0.3461 0.3461 0.4959 0.4959 0.9425 0.9425 4.4600 4.4600 4.8703 4.8703 5.6762 5.6762 6.3016 6.3016 7.1330 7.1330 7.7524 7.7524 10.6185 10.6185 11.3404 11.3404 11.5473 11.5473 12.2447 12.2447 k = 0.1701 0.2946-0.0000 ( 3957 PWs) bands (ev): -32.2917 -32.2917 -13.5722 -13.5722 -13.2097 -13.2097 -13.1786 -13.1786 -2.1521 -2.1521 -1.8965 -1.8965 -0.5404 -0.5404 -0.5069 -0.5069 -0.4227 -0.4227 -0.2132 -0.2132 0.1411 0.1411 0.2164 0.2164 0.2478 0.2478 0.3496 0.3496 0.4919 0.4919 0.9234 0.9234 4.4161 4.4161 4.9607 4.9607 5.7607 5.7607 6.3819 6.3819 7.1938 7.1938 7.8116 7.8116 10.5941 10.5941 11.2938 11.2938 11.5129 11.5129 12.1987 12.1987 k = 0.1633 0.2828-0.0000 ( 3961 PWs) bands (ev): -32.2918 -32.2918 -13.5716 -13.5716 -13.2094 -13.2094 -13.1775 -13.1775 -2.1734 -2.1734 -1.8994 -1.8994 -0.5434 -0.5434 -0.5093 -0.5093 -0.4343 -0.4343 -0.2229 -0.2229 0.1369 0.1369 0.2060 0.2060 0.2507 0.2507 0.3540 0.3540 0.4884 0.4884 0.9041 0.9041 4.3692 4.3692 5.0549 5.0549 5.8527 5.8527 6.4605 6.4605 7.2565 7.2565 7.8697 7.8697 10.5708 10.5708 11.2449 11.2449 11.4783 11.4783 12.1512 12.1512 k = 0.1565 0.2710-0.0000 ( 3963 PWs) bands (ev): -32.2920 -32.2920 -13.5710 -13.5710 -13.2090 -13.2090 -13.1763 -13.1763 -2.1951 -2.1951 -1.9025 -1.9025 -0.5465 -0.5465 -0.5118 -0.5118 -0.4461 -0.4461 -0.2321 -0.2321 0.1329 0.1329 0.1961 0.1961 0.2536 0.2536 0.3591 0.3591 0.4853 0.4853 0.8845 0.8845 4.3204 4.3204 5.1526 5.1526 5.9509 5.9509 6.5371 6.5371 7.3212 7.3212 7.9265 7.9265 10.5481 10.5481 11.1930 11.1930 11.4445 11.4445 12.1039 12.1039 k = 0.1497 0.2592-0.0000 ( 3963 PWs) bands (ev): -32.2921 -32.2921 -13.5704 -13.5704 -13.2086 -13.2086 -13.1751 -13.1751 -2.2171 -2.2171 -1.9056 -1.9056 -0.5499 -0.5499 -0.5143 -0.5143 -0.4576 -0.4576 -0.2407 -0.2407 0.1293 0.1293 0.1869 0.1869 0.2564 0.2564 0.3647 0.3647 0.4826 0.4826 0.8651 0.8651 4.2707 4.2707 5.2535 5.2535 6.0545 6.0545 6.6114 6.6114 7.3876 7.3876 7.9818 7.9818 10.5254 10.5254 11.1376 11.1376 11.4123 11.4123 12.0579 12.0579 k = 0.1429 0.2474-0.0000 ( 3965 PWs) bands (ev): -32.2922 -32.2922 -13.5698 -13.5698 -13.2082 -13.2082 -13.1739 -13.1739 -2.2393 -2.2393 -1.9089 -1.9089 -0.5534 -0.5534 -0.5172 -0.5172 -0.4686 -0.4686 -0.2490 -0.2490 0.1262 0.1262 0.1784 0.1784 0.2590 0.2590 0.3706 0.3706 0.4800 0.4800 0.8457 0.8457 4.2208 4.2208 5.3573 5.3573 6.1626 6.1626 6.6831 6.6831 7.4556 7.4556 8.0355 8.0355 10.5024 10.5024 11.0781 11.0781 11.3824 11.3824 12.0144 12.0144 k = 0.1361 0.2357-0.0000 ( 3973 PWs) bands (ev): -32.2923 -32.2923 -13.5692 -13.5692 -13.2078 -13.2078 -13.1728 -13.1728 -2.2615 -2.2615 -1.9123 -1.9123 -0.5571 -0.5571 -0.5207 -0.5207 -0.4785 -0.4785 -0.2568 -0.2568 0.1234 0.1234 0.1708 0.1708 0.2613 0.2613 0.3767 0.3767 0.4775 0.4775 0.8267 0.8267 4.1712 4.1712 5.4637 5.4637 6.2747 6.2747 6.7520 6.7520 7.5249 7.5249 8.0874 8.0874 10.4782 10.4782 11.0143 11.0143 11.3554 11.3554 11.9743 11.9743 k = 0.1293 0.2239-0.0000 ( 3969 PWs) bands (ev): -32.2924 -32.2924 -13.5686 -13.5686 -13.2074 -13.2074 -13.1716 -13.1716 -2.2836 -2.2836 -1.9158 -1.9158 -0.5609 -0.5609 -0.5252 -0.5252 -0.4868 -0.4868 -0.2641 -0.2641 0.1211 0.1211 0.1640 0.1640 0.2634 0.2634 0.3831 0.3831 0.4752 0.4752 0.8082 0.8082 4.1224 4.1224 5.5725 5.5725 6.3900 6.3900 6.8180 6.8180 7.5953 7.5953 8.1373 8.1373 10.4524 10.4524 10.9458 10.9458 11.3315 11.3315 11.9384 11.9384 k = 0.1224 0.2121-0.0000 ( 3975 PWs) bands (ev): -32.2926 -32.2926 -13.5681 -13.5681 -13.2071 -13.2071 -13.1704 -13.1704 -2.3054 -2.3054 -1.9193 -1.9193 -0.5647 -0.5647 -0.5312 -0.5312 -0.4931 -0.4931 -0.2711 -0.2711 0.1192 0.1192 0.1578 0.1578 0.2651 0.2651 0.3894 0.3894 0.4729 0.4729 0.7901 0.7901 4.0747 4.0747 5.6834 5.6834 6.5081 6.5081 6.8811 6.8811 7.6667 7.6667 8.1850 8.1850 10.4244 10.4244 10.8728 10.8728 11.3106 11.3106 11.9077 11.9077 k = 0.1156 0.2003-0.0000 ( 3963 PWs) bands (ev): -32.2927 -32.2927 -13.5675 -13.5675 -13.2067 -13.2067 -13.1692 -13.1692 -2.3269 -2.3269 -1.9229 -1.9229 -0.5685 -0.5685 -0.5383 -0.5383 -0.4974 -0.4974 -0.2776 -0.2776 0.1179 0.1179 0.1525 0.1525 0.2666 0.2666 0.3955 0.3955 0.4708 0.4708 0.7729 0.7729 4.0284 4.0284 5.7961 5.7961 6.6281 6.6281 6.9415 6.9415 7.7387 7.7387 8.2304 8.2304 10.3937 10.3937 10.7955 10.7955 11.2923 11.2923 11.8826 11.8826 k = 0.1088 0.1885-0.0000 ( 3963 PWs) bands (ev): -32.2928 -32.2928 -13.5670 -13.5670 -13.2064 -13.2064 -13.1680 -13.1680 -2.3480 -2.3480 -1.9265 -1.9265 -0.5724 -0.5724 -0.5462 -0.5462 -0.5002 -0.5002 -0.2837 -0.2837 0.1170 0.1170 0.1478 0.1478 0.2677 0.2677 0.4012 0.4012 0.4690 0.4690 0.7564 0.7564 3.9838 3.9838 5.9102 5.9102 6.7489 6.7489 6.9999 6.9999 7.8110 7.8110 8.2731 8.2731 10.3599 10.3599 10.7144 10.7144 11.2758 11.2758 11.8634 11.8634 k = 0.1020 0.1767-0.0000 ( 3971 PWs) bands (ev): -32.2929 -32.2929 -13.5665 -13.5665 -13.2060 -13.2060 -13.1669 -13.1669 -2.3684 -2.3684 -1.9300 -1.9300 -0.5763 -0.5763 -0.5544 -0.5544 -0.5020 -0.5020 -0.2895 -0.2895 0.1163 0.1163 0.1437 0.1437 0.2684 0.2684 0.4062 0.4062 0.4676 0.4676 0.7408 0.7408 3.9410 3.9410 6.0253 6.0253 6.8680 6.8680 7.0583 7.0583 7.8832 7.8832 8.3132 8.3132 10.3228 10.3228 10.6300 10.6300 11.2604 11.2604 11.8496 11.8496 k = 0.0952 0.1650-0.0000 ( 3963 PWs) bands (ev): -32.2930 -32.2930 -13.5660 -13.5660 -13.2057 -13.2057 -13.1658 -13.1658 -2.3881 -2.3881 -1.9336 -1.9336 -0.5801 -0.5801 -0.5622 -0.5622 -0.5030 -0.5030 -0.2949 -0.2949 0.1160 0.1160 0.1406 0.1406 0.2688 0.2688 0.4103 0.4103 0.4668 0.4668 0.7262 0.7262 3.9003 3.9003 6.1412 6.1412 6.9789 6.9789 7.1228 7.1228 7.9549 7.9549 8.3502 8.3502 10.2821 10.2821 10.5434 10.5434 11.2453 11.2453 11.8391 11.8391 k = 0.0884 0.1532-0.0000 ( 3961 PWs) bands (ev): -32.2931 -32.2931 -13.5655 -13.5655 -13.2054 -13.2054 -13.1647 -13.1647 -2.4069 -2.4069 -1.9371 -1.9371 -0.5840 -0.5840 -0.5697 -0.5697 -0.5035 -0.5035 -0.2999 -0.2999 0.1156 0.1156 0.1383 0.1383 0.2688 0.2688 0.4132 0.4132 0.4669 0.4669 0.7128 0.7128 3.8618 3.8618 6.2574 6.2574 7.0680 7.0680 7.2069 7.2069 8.0255 8.0255 8.3842 8.3842 10.2377 10.2377 10.4553 10.4553 11.2297 11.2297 11.8267 11.8267 k = 0.0816 0.1414-0.0000 ( 3961 PWs) bands (ev): -32.2932 -32.2932 -13.5650 -13.5650 -13.2052 -13.2052 -13.1637 -13.1637 -2.4248 -2.4248 -1.9404 -1.9404 -0.5880 -0.5880 -0.5764 -0.5764 -0.5038 -0.5038 -0.3046 -0.3046 0.1151 0.1151 0.1370 0.1370 0.2684 0.2684 0.4146 0.4146 0.4679 0.4679 0.7004 0.7004 3.8257 3.8257 6.3733 6.3733 7.1295 7.1295 7.3159 7.3159 8.0945 8.0945 8.4146 8.4146 10.1893 10.1893 10.3669 10.3669 11.2133 11.2133 11.8032 11.8032 k = 0.0748 0.1296-0.0000 ( 3949 PWs) bands (ev): -32.2932 -32.2932 -13.5646 -13.5646 -13.2049 -13.2049 -13.1627 -13.1627 -2.4417 -2.4417 -1.9437 -1.9437 -0.5921 -0.5921 -0.5821 -0.5821 -0.5038 -0.5038 -0.3087 -0.3087 0.1144 0.1144 0.1368 0.1368 0.2676 0.2676 0.4147 0.4147 0.4700 0.4700 0.6892 0.6892 3.7920 3.7920 6.4885 6.4885 7.1745 7.1745 7.4384 7.4384 8.1613 8.1613 8.4415 8.4415 10.1369 10.1369 10.2793 10.2793 11.1959 11.1959 11.7603 11.7603 k = 0.0680 0.1178-0.0000 ( 3949 PWs) bands (ev): -32.2933 -32.2933 -13.5642 -13.5642 -13.2047 -13.2047 -13.1618 -13.1618 -2.4574 -2.4574 -1.9468 -1.9468 -0.5964 -0.5964 -0.5869 -0.5869 -0.5037 -0.5037 -0.3127 -0.3127 0.1133 0.1133 0.1376 0.1376 0.2665 0.2665 0.4135 0.4135 0.4728 0.4728 0.6792 0.6792 3.7608 3.7608 6.6023 6.6023 7.2109 7.2109 7.5661 7.5661 8.2249 8.2249 8.4644 8.4644 10.0801 10.0801 10.1938 10.1938 11.1776 11.1776 11.6998 11.6999 k = 0.0612 0.1060-0.0000 ( 3949 PWs) bands (ev): -32.2934 -32.2934 -13.5639 -13.5639 -13.2045 -13.2045 -13.1609 -13.1609 -2.4719 -2.4719 -1.9497 -1.9497 -0.6008 -0.6008 -0.5909 -0.5909 -0.5034 -0.5034 -0.3162 -0.3162 0.1121 0.1121 0.1393 0.1393 0.2650 0.2650 0.4114 0.4114 0.4760 0.4760 0.6704 0.6704 3.7324 3.7324 6.7138 6.7138 7.2415 7.2415 7.6956 7.6956 8.2847 8.2847 8.4831 8.4831 10.0188 10.0188 10.1118 10.1118 11.1585 11.1585 11.6302 11.6302 k = 0.0544 0.0943-0.0000 ( 3949 PWs) bands (ev): -32.2935 -32.2935 -13.5636 -13.5636 -13.2043 -13.2043 -13.1602 -13.1602 -2.4851 -2.4851 -1.9524 -1.9524 -0.6050 -0.6050 -0.5942 -0.5942 -0.5031 -0.5031 -0.3194 -0.3194 0.1107 0.1107 0.1417 0.1417 0.2631 0.2631 0.4089 0.4089 0.4793 0.4793 0.6627 0.6627 3.7067 3.7067 6.8221 6.8221 7.2678 7.2678 7.8251 7.8251 8.3396 8.3396 8.4975 8.4975 9.9530 9.9530 10.0349 10.0349 11.1389 11.1389 11.5590 11.5590 k = 0.0476 0.0825-0.0000 ( 3951 PWs) bands (ev): -32.2935 -32.2935 -13.5633 -13.5633 -13.2041 -13.2041 -13.1595 -13.1595 -2.4969 -2.4969 -1.9548 -1.9548 -0.6088 -0.6088 -0.5970 -0.5970 -0.5028 -0.5028 -0.3222 -0.3222 0.1093 0.1093 0.1444 0.1444 0.2610 0.2610 0.4061 0.4061 0.4826 0.4826 0.6562 0.6562 3.6838 3.6838 6.9261 6.9261 7.2901 7.2901 7.9532 7.9532 8.3884 8.3884 8.5077 8.5077 9.8828 9.8828 9.9644 9.9644 11.1190 11.1190 11.4912 11.4912 k = 0.0408 0.0707-0.0000 ( 3951 PWs) bands (ev): -32.2936 -32.2936 -13.5630 -13.5630 -13.2040 -13.2040 -13.1588 -13.1588 -2.5072 -2.5072 -1.9569 -1.9569 -0.6122 -0.6122 -0.5993 -0.5993 -0.5025 -0.5025 -0.3246 -0.3246 0.1080 0.1080 0.1475 0.1475 0.2586 0.2586 0.4032 0.4032 0.4856 0.4856 0.6508 0.6508 3.6639 3.6639 7.0241 7.0241 7.3090 7.3090 8.0782 8.0782 8.4294 8.4294 8.5145 8.5145 9.8089 9.8089 9.9018 9.9018 11.0991 11.0991 11.4299 11.4299 k = 0.0340 0.0589-0.0000 ( 3953 PWs) bands (ev): -32.2936 -32.2936 -13.5628 -13.5628 -13.2039 -13.2039 -13.1583 -13.1583 -2.5160 -2.5160 -1.9588 -1.9588 -0.6151 -0.6151 -0.6013 -0.6013 -0.5021 -0.5021 -0.3267 -0.3267 0.1068 0.1068 0.1506 0.1506 0.2561 0.2561 0.4005 0.4005 0.4884 0.4884 0.6464 0.6464 3.6469 3.6469 7.1143 7.1143 7.3248 7.3248 8.1981 8.1981 8.4594 8.4594 8.5211 8.5211 9.7325 9.7325 9.8484 9.8484 11.0797 11.0797 11.3769 11.3769 k = 0.0272 0.0471-0.0000 ( 3955 PWs) bands (ev): -32.2937 -32.2937 -13.5627 -13.5627 -13.2038 -13.2038 -13.1579 -13.1579 -2.5233 -2.5233 -1.9604 -1.9604 -0.6175 -0.6175 -0.6029 -0.6029 -0.5018 -0.5018 -0.3284 -0.3284 0.1058 0.1058 0.1537 0.1537 0.2537 0.2537 0.3982 0.3982 0.4906 0.4906 0.6428 0.6428 3.6329 3.6329 7.1942 7.1942 7.3377 7.3377 8.3098 8.3098 8.4738 8.4738 8.5327 8.5327 9.6562 9.6562 9.8049 9.8049 11.0617 11.0617 11.3330 11.3330 k = 0.0204 0.0353-0.0000 ( 3971 PWs) bands (ev): -32.2937 -32.2937 -13.5626 -13.5626 -13.2038 -13.2038 -13.1576 -13.1576 -2.5291 -2.5291 -1.9616 -1.9616 -0.6195 -0.6195 -0.6042 -0.6042 -0.5016 -0.5016 -0.3299 -0.3299 0.1050 0.1050 0.1563 0.1563 0.2514 0.2514 0.3962 0.3962 0.4923 0.4923 0.6401 0.6401 3.6220 3.6220 7.2607 7.2607 7.3482 7.3482 8.4071 8.4071 8.4766 8.4766 8.5488 8.5488 9.5837 9.5837 9.7715 9.7715 11.0458 11.0458 11.2986 11.2986 k = 0.0136 0.0236-0.0000 ( 3975 PWs) bands (ev): -32.2937 -32.2937 -13.5625 -13.5625 -13.2037 -13.2037 -13.1573 -13.1573 -2.5332 -2.5332 -1.9625 -1.9625 -0.6209 -0.6209 -0.6051 -0.6051 -0.5015 -0.5015 -0.3308 -0.3308 0.1044 0.1044 0.1583 0.1583 0.2496 0.2496 0.3948 0.3948 0.4936 0.4936 0.6383 0.6383 3.6142 3.6142 7.3097 7.3097 7.3574 7.3574 8.4577 8.4577 8.5016 8.5016 8.5639 8.5639 9.5213 9.5213 9.7483 9.7483 11.0335 11.0335 11.2738 11.2738 k = 0.0068 0.0118-0.0000 ( 3967 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1572 -13.1572 -2.5356 -2.5356 -1.9630 -1.9630 -0.6216 -0.6216 -0.6056 -0.6056 -0.5014 -0.5014 -0.3314 -0.3314 0.1042 0.1042 0.1597 0.1597 0.2485 0.2485 0.3939 0.3939 0.4944 0.4944 0.6372 0.6372 3.6095 3.6095 7.3365 7.3365 7.3672 7.3672 8.4575 8.4575 8.5467 8.5467 8.5780 8.5780 9.4777 9.4777 9.7346 9.7346 11.0255 11.0255 11.2588 11.2588 k = 0.0000 0.0000 0.0000 ( 3971 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5365 -2.5365 -1.9632 -1.9632 -0.6219 -0.6219 -0.6058 -0.6058 -0.5013 -0.5013 -0.3315 -0.3315 0.1040 0.1040 0.1602 0.1602 0.2481 0.2481 0.3936 0.3936 0.4947 0.4947 0.6369 0.6369 3.6079 3.6079 7.3434 7.3434 7.3727 7.3727 8.4560 8.4560 8.5595 8.5595 8.5875 8.5875 9.4618 9.4618 9.7301 9.7301 11.0228 11.0228 11.2538 11.2538 k = 0.0000 0.0000 0.0000 ( 3971 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5365 -2.5365 -1.9632 -1.9632 -0.6219 -0.6219 -0.6058 -0.6058 -0.5013 -0.5013 -0.3315 -0.3315 0.1040 0.1040 0.1602 0.1602 0.2481 0.2481 0.3936 0.3936 0.4947 0.4947 0.6369 0.6369 3.6079 3.6079 7.3434 7.3434 7.3727 7.3727 8.4560 8.4560 8.5595 8.5595 8.5875 8.5875 9.4618 9.4618 9.7301 9.7301 11.0228 11.0228 11.2538 11.2538 k = 0.0000 0.0000 0.0132 ( 3971 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5357 -2.5357 -1.9637 -1.9637 -0.6219 -0.6219 -0.6058 -0.6058 -0.5013 -0.5013 -0.3318 -0.3318 0.1040 0.1040 0.1602 0.1602 0.2472 0.2472 0.3937 0.3937 0.4947 0.4947 0.6358 0.6358 3.6122 3.6122 7.3444 7.3444 7.3737 7.3737 8.4420 8.4420 8.5566 8.5566 8.5855 8.5855 9.4718 9.4718 9.7344 9.7344 11.0244 11.0244 11.2550 11.2550 k = 0.0000 0.0000 0.0264 ( 3977 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5333 -2.5333 -1.9651 -1.9651 -0.6220 -0.6220 -0.6057 -0.6057 -0.5013 -0.5013 -0.3325 -0.3325 0.1040 0.1040 0.1603 0.1603 0.2445 0.2445 0.3940 0.3940 0.4945 0.4945 0.6325 0.6325 3.6249 3.6249 7.3474 7.3474 7.3767 7.3767 8.4012 8.4012 8.5489 8.5489 8.5796 8.5796 9.4983 9.4983 9.7484 9.7484 11.0293 11.0293 11.2586 11.2586 k = 0.0000 0.0000 0.0397 ( 3977 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5295 -2.5295 -1.9674 -1.9674 -0.6221 -0.6221 -0.6056 -0.6056 -0.5012 -0.5012 -0.3336 -0.3336 0.1041 0.1041 0.1605 0.1605 0.2400 0.2400 0.3948 0.3948 0.4944 0.4944 0.6272 0.6272 3.6460 3.6460 7.3523 7.3523 7.3817 7.3817 8.3381 8.3381 8.5376 8.5376 8.5699 8.5699 9.5327 9.5327 9.7751 9.7751 11.0378 11.0378 11.2645 11.2645 k = 0.0000 0.0000 0.0529 ( 3965 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5241 -2.5241 -1.9707 -1.9707 -0.6223 -0.6223 -0.6054 -0.6054 -0.5009 -0.5009 -0.3351 -0.3351 0.1043 0.1043 0.1609 0.1609 0.2338 0.2338 0.3958 0.3958 0.4942 0.4942 0.6202 0.6202 3.6750 3.6750 7.3593 7.3593 7.3888 7.3888 8.2584 8.2584 8.5230 8.5230 8.5566 8.5566 9.5654 9.5654 9.8174 9.8174 11.0504 11.0504 11.2723 11.2723 k = 0.0000 0.0000 0.0661 ( 3965 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5172 -2.5172 -1.9749 -1.9749 -0.6225 -0.6225 -0.6052 -0.6052 -0.5006 -0.5006 -0.3372 -0.3372 0.1044 0.1044 0.1612 0.1612 0.2260 0.2260 0.3970 0.3970 0.4939 0.4939 0.6118 0.6118 3.7116 3.7116 7.3682 7.3682 7.3977 7.3977 8.1672 8.1672 8.5051 8.5051 8.5397 8.5397 9.5912 9.5912 9.8750 9.8750 11.0676 11.0676 11.2817 11.2818 k = 0.0000 0.0000 0.0793 ( 3953 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.5088 -2.5088 -1.9801 -1.9801 -0.6227 -0.6227 -0.6049 -0.6049 -0.5003 -0.5003 -0.3395 -0.3395 0.1046 0.1046 0.1616 0.1616 0.2167 0.2167 0.3983 0.3983 0.4937 0.4937 0.6024 0.6024 3.7552 3.7552 7.3791 7.3791 7.4086 7.4086 8.0683 8.0683 8.4842 8.4842 8.5196 8.5196 9.6099 9.6099 9.9434 9.9434 11.0906 11.0906 11.2925 11.2925 k = 0.0000 0.0000 0.0926 ( 3953 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1571 -13.1571 -2.4990 -2.4990 -1.9862 -1.9862 -0.6230 -0.6230 -0.6046 -0.6046 -0.5000 -0.5000 -0.3424 -0.3424 0.1047 0.1047 0.1620 0.1620 0.2060 0.2060 0.3998 0.3998 0.4932 0.4932 0.5922 0.5922 3.8053 3.8053 7.3918 7.3918 7.4214 7.4214 7.9644 7.9644 8.4603 8.4603 8.4964 8.4964 9.6239 9.6239 10.0166 10.0166 11.1202 11.1202 11.3040 11.3040 k = 0.0000 0.0000 0.1058 ( 3947 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.4879 -2.4879 -1.9934 -1.9934 -0.6234 -0.6234 -0.6043 -0.6043 -0.4996 -0.4996 -0.3457 -0.3457 0.1048 0.1048 0.1625 0.1625 0.1942 0.1942 0.4013 0.4013 0.4929 0.4929 0.5818 0.5818 3.8612 3.8612 7.4064 7.4064 7.4361 7.4361 7.8575 7.8575 8.4336 8.4336 8.4706 8.4706 9.6349 9.6349 10.0896 10.0896 11.1576 11.1576 11.3160 11.3160 k = 0.0000 0.0000 0.1190 ( 3947 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.4754 -2.4754 -2.0015 -2.0015 -0.6237 -0.6237 -0.6041 -0.6041 -0.4992 -0.4992 -0.3495 -0.3495 0.1048 0.1048 0.1630 0.1630 0.1816 0.1816 0.4029 0.4029 0.4924 0.4924 0.5712 0.5712 3.9221 3.9221 7.4227 7.4227 7.4525 7.4525 7.7489 7.7489 8.4046 8.4046 8.4422 8.4422 9.6442 9.6442 10.1586 10.1586 11.2035 11.2035 11.3285 11.3285 k = 0.0000 0.0000 0.1322 ( 3941 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2036 -13.2036 -13.1570 -13.1570 -2.4618 -2.4618 -2.0106 -2.0106 -0.6241 -0.6241 -0.6038 -0.6038 -0.4987 -0.4987 -0.3536 -0.3536 0.1046 0.1046 0.1635 0.1635 0.1684 0.1684 0.4047 0.4047 0.4918 0.4918 0.5610 0.5610 3.9874 3.9874 7.4407 7.4407 7.4707 7.4707 7.6399 7.6399 8.3735 8.3735 8.4118 8.4118 9.6525 9.6525 10.2209 10.2209 11.2572 11.2572 11.3429 11.3429 k = 0.0000 0.0000 0.1455 ( 3929 PWs) bands (ev): -32.2937 -32.2937 -13.5623 -13.5623 -13.2036 -13.2036 -13.1570 -13.1570 -2.4469 -2.4469 -2.0208 -2.0208 -0.6244 -0.6244 -0.6034 -0.6034 -0.4981 -0.4981 -0.3580 -0.3580 0.1040 0.1040 0.1552 0.1552 0.1642 0.1642 0.4064 0.4064 0.4914 0.4914 0.5513 0.5513 4.0561 4.0561 7.4601 7.4601 7.4905 7.4905 7.5317 7.5317 8.3405 8.3405 8.3796 8.3796 9.6603 9.6603 10.2750 10.2750 11.3090 11.3090 11.3689 11.3690 k = 0.0000 0.0000 0.1587 ( 3941 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.4310 -2.4310 -2.0320 -2.0320 -0.6249 -0.6249 -0.6032 -0.6032 -0.4976 -0.4976 -0.3629 -0.3629 0.1027 0.1027 0.1424 0.1424 0.1647 0.1647 0.4080 0.4080 0.4907 0.4907 0.5419 0.5419 4.1274 4.1274 7.4226 7.4226 7.4831 7.4831 7.5119 7.5119 8.3061 8.3061 8.3459 8.3459 9.6676 9.6676 10.3202 10.3202 11.3357 11.3357 11.4071 11.4072 k = 0.0000 0.0000 0.1719 ( 3935 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.4141 -2.4141 -2.0443 -2.0443 -0.6252 -0.6252 -0.6028 -0.6028 -0.4969 -0.4969 -0.3679 -0.3679 0.1001 0.1001 0.1314 0.1314 0.1653 0.1653 0.4097 0.4097 0.4901 0.4901 0.5334 0.5334 4.2004 4.2004 7.3180 7.3180 7.5054 7.5054 7.5347 7.5347 8.2706 8.2706 8.3111 8.3111 9.6746 9.6746 10.3567 10.3567 11.3468 11.3468 11.4098 11.4098 k = 0.0000 0.0000 0.1851 ( 3953 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.3963 -2.3963 -2.0575 -2.0575 -0.6257 -0.6257 -0.6026 -0.6026 -0.4964 -0.4964 -0.3732 -0.3732 0.0948 0.0948 0.1233 0.1233 0.1657 0.1657 0.4112 0.4112 0.4894 0.4894 0.5255 0.5255 4.2740 4.2740 7.2160 7.2160 7.5295 7.5295 7.5588 7.5588 8.2343 8.2343 8.2755 8.2755 9.6813 9.6813 10.3854 10.3854 11.3530 11.3530 11.4112 11.4112 k = 0.0000 0.0000 0.1984 ( 3965 PWs) bands (ev): -32.2937 -32.2937 -13.5625 -13.5625 -13.2038 -13.2038 -13.1571 -13.1571 -2.3778 -2.3778 -2.0717 -2.0717 -0.6260 -0.6260 -0.6024 -0.6024 -0.4959 -0.4959 -0.3784 -0.3784 0.0867 0.0867 0.1188 0.1188 0.1660 0.1660 0.4127 0.4127 0.4888 0.4888 0.5184 0.5184 4.3470 4.3470 7.1180 7.1180 7.5548 7.5548 7.5839 7.5839 8.1976 8.1976 8.2395 8.2395 9.6876 9.6876 10.4074 10.4074 11.3569 11.3569 11.4116 11.4116 k = 0.0000 0.0000 0.2116 ( 3964 PWs) bands (ev): -32.2937 -32.2937 -13.5625 -13.5625 -13.2038 -13.2038 -13.1571 -13.1571 -2.3585 -2.3585 -2.0869 -2.0869 -0.6263 -0.6263 -0.6022 -0.6022 -0.4952 -0.4952 -0.3835 -0.3835 0.0774 0.0774 0.1166 0.1166 0.1665 0.1665 0.4142 0.4142 0.4883 0.4883 0.5122 0.5122 4.4180 4.4180 7.0253 7.0253 7.5811 7.5811 7.6098 7.6098 8.1609 8.1609 8.2037 8.2037 9.6935 9.6935 10.4238 10.4238 11.3593 11.3593 11.4112 11.4112 k = 0.0000 0.0000 0.2248 ( 3964 PWs) bands (ev): -32.2937 -32.2937 -13.5625 -13.5625 -13.2038 -13.2038 -13.1571 -13.1571 -2.3387 -2.3387 -2.1030 -2.1030 -0.6266 -0.6266 -0.6020 -0.6020 -0.4946 -0.4946 -0.3884 -0.3884 0.0682 0.0682 0.1155 0.1155 0.1669 0.1669 0.4155 0.4155 0.4879 0.4879 0.5068 0.5068 4.4856 4.4856 6.9394 6.9394 7.6079 7.6079 7.6362 7.6362 8.1246 8.1246 8.1684 8.1684 9.6989 9.6989 10.4359 10.4359 11.3605 11.3605 11.4102 11.4102 k = 0.0000 0.0000 0.2380 ( 3964 PWs) bands (ev): -32.2937 -32.2937 -13.5625 -13.5625 -13.2038 -13.2038 -13.1571 -13.1571 -2.3185 -2.3185 -2.1200 -2.1200 -0.6268 -0.6268 -0.6018 -0.6018 -0.4940 -0.4940 -0.3928 -0.3928 0.0597 0.0597 0.1150 0.1150 0.1673 0.1673 0.4168 0.4168 0.4875 0.4875 0.5022 0.5022 4.5479 4.5479 6.8618 6.8618 7.6349 7.6349 7.6625 7.6625 8.0895 8.0895 8.1344 8.1344 9.7037 9.7037 10.4445 10.4445 11.3610 11.3610 11.4089 11.4089 k = 0.0000 0.0000 0.2513 ( 3940 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2038 -13.2038 -13.1570 -13.1570 -2.2980 -2.2980 -2.1377 -2.1377 -0.6270 -0.6270 -0.6014 -0.6014 -0.4931 -0.4931 -0.3967 -0.3967 0.0525 0.0525 0.1149 0.1149 0.1679 0.1679 0.4179 0.4179 0.4872 0.4872 0.4984 0.4984 4.6030 4.6030 6.7942 6.7942 7.6613 7.6613 7.6879 7.6879 8.0564 8.0564 8.1025 8.1025 9.7078 9.7078 10.4505 10.4505 11.3611 11.3611 11.4075 11.4075 k = 0.0000 0.0000 0.2645 ( 3928 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.2774 -2.2774 -2.1562 -2.1562 -0.6271 -0.6271 -0.6012 -0.6012 -0.4925 -0.4925 -0.3999 -0.3999 0.0469 0.0469 0.1148 0.1148 0.1682 0.1682 0.4191 0.4191 0.4870 0.4870 0.4955 0.4955 4.6490 4.6490 6.7388 6.7388 7.6858 7.6858 7.7112 7.7112 8.0265 8.0265 8.0740 8.0740 9.7111 9.7111 10.4545 10.4545 11.3609 11.3609 11.4062 11.4062 k = 0.0000 0.0000 0.2777 ( 3940 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.2567 -2.2567 -2.1753 -2.1753 -0.6273 -0.6273 -0.6013 -0.6013 -0.4921 -0.4921 -0.4023 -0.4023 0.0426 0.0426 0.1146 0.1146 0.1684 0.1684 0.4196 0.4196 0.4868 0.4868 0.4933 0.4933 4.6837 4.6837 6.6974 6.6974 7.7067 7.7067 7.7308 7.7308 8.0016 8.0016 8.0508 8.0508 9.7135 9.7135 10.4570 10.4570 11.3606 11.3606 11.4052 11.4052 k = 0.0000 0.0000 0.2909 ( 3940 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.2363 -2.2363 -2.1947 -2.1947 -0.6273 -0.6273 -0.6013 -0.6013 -0.4919 -0.4919 -0.4038 -0.4038 0.0401 0.0401 0.1145 0.1145 0.1685 0.1685 0.4200 0.4200 0.4867 0.4867 0.4921 0.4921 4.7053 4.7053 6.6717 6.6717 7.7213 7.7213 7.7441 7.7441 7.9847 7.9847 8.0352 8.0352 9.7150 9.7150 10.4584 10.4584 11.3603 11.3603 11.4045 11.4045 k = 0.0000 0.0000 0.3042 ( 3952 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2038 -13.2038 -13.1571 -13.1571 -2.2196 -2.2196 -2.2110 -2.2110 -0.6274 -0.6274 -0.6014 -0.6014 -0.4919 -0.4919 -0.4044 -0.4044 0.0392 0.0392 0.1145 0.1145 0.1684 0.1684 0.4201 0.4201 0.4866 0.4866 0.4916 0.4916 4.7127 4.7127 6.6630 6.6630 7.7266 7.7266 7.7489 7.7489 7.9786 7.9786 8.0296 8.0296 9.7155 9.7155 10.4588 10.4588 11.3602 11.3602 11.4042 11.4042 k = 0.0000 0.0000 0.3042 ( 3952 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2038 -13.2038 -13.1571 -13.1571 -2.2196 -2.2196 -2.2110 -2.2110 -0.6274 -0.6274 -0.6014 -0.6014 -0.4919 -0.4919 -0.4044 -0.4044 0.0392 0.0392 0.1145 0.1145 0.1684 0.1684 0.4201 0.4201 0.4866 0.4866 0.4916 0.4916 4.7127 4.7127 6.6630 6.6630 7.7266 7.7266 7.7489 7.7489 7.9786 7.9786 8.0296 8.0296 9.7155 9.7155 10.4588 10.4588 11.3602 11.3602 11.4042 11.4042 k = 0.0116 0.0067 0.3042 ( 3932 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.2192 -2.2192 -2.2105 -2.2105 -0.6270 -0.6270 -0.6010 -0.6010 -0.4920 -0.4920 -0.4038 -0.4038 0.0393 0.0393 0.1150 0.1150 0.1689 0.1689 0.4204 0.4204 0.4864 0.4864 0.4917 0.4917 4.7128 4.7128 6.6633 6.6633 7.7232 7.7232 7.7451 7.7451 7.9711 7.9711 8.0220 8.0220 9.7283 9.7283 10.4617 10.4617 11.3633 11.3633 11.4069 11.4069 k = 0.0233 0.0134 0.3042 ( 3934 PWs) bands (ev): -32.2937 -32.2937 -13.5625 -13.5625 -13.2038 -13.2038 -13.1572 -13.1572 -2.2178 -2.2178 -2.2089 -2.2089 -0.6261 -0.6261 -0.6006 -0.6006 -0.4928 -0.4928 -0.4025 -0.4025 0.0393 0.0393 0.1157 0.1157 0.1699 0.1699 0.4207 0.4207 0.4857 0.4857 0.4919 0.4919 4.7134 4.7134 6.6640 6.6640 7.7106 7.7106 7.7356 7.7356 7.9432 7.9432 8.0059 8.0059 9.7652 9.7652 10.4705 10.4705 11.3722 11.3722 11.4151 11.4151 k = 0.0349 0.0201 0.3042 ( 3938 PWs) bands (ev): -32.2937 -32.2937 -13.5626 -13.5626 -13.2038 -13.2038 -13.1575 -13.1575 -2.2155 -2.2155 -2.2062 -2.2062 -0.6245 -0.6245 -0.6000 -0.6000 -0.4939 -0.4939 -0.4003 -0.4003 0.0393 0.0393 0.1169 0.1169 0.1717 0.1717 0.4212 0.4212 0.4844 0.4844 0.4923 0.4923 4.7142 4.7142 6.6651 6.6651 7.6848 7.6848 7.7242 7.7242 7.8910 7.8910 7.9902 7.9902 9.8223 9.8223 10.4850 10.4850 11.3857 11.3857 11.4292 11.4292 k = 0.0465 0.0269 0.3042 ( 3950 PWs) bands (ev): -32.2937 -32.2937 -13.5627 -13.5627 -13.2039 -13.2039 -13.1578 -13.1578 -2.2123 -2.2123 -2.2025 -2.2025 -0.6223 -0.6223 -0.5991 -0.5991 -0.4954 -0.4954 -0.3975 -0.3975 0.0393 0.0393 0.1184 0.1184 0.1741 0.1741 0.4220 0.4220 0.4824 0.4824 0.4930 0.4930 4.7153 4.7153 6.6662 6.6662 7.6444 7.6444 7.7105 7.7105 7.8219 7.8219 7.9744 7.9744 9.8942 9.8942 10.5055 10.5055 11.4020 11.4020 11.4497 11.4497 k = 0.0581 0.0336 0.3042 ( 3954 PWs) bands (ev): -32.2936 -32.2936 -13.5629 -13.5629 -13.2040 -13.2040 -13.1583 -13.1583 -2.2081 -2.2081 -2.1979 -2.1979 -0.6194 -0.6194 -0.5979 -0.5979 -0.4972 -0.4972 -0.3939 -0.3939 0.0395 0.0395 0.1203 0.1203 0.1772 0.1772 0.4230 0.4230 0.4800 0.4800 0.4940 0.4940 4.7166 4.7166 6.6668 6.6668 7.5884 7.5884 7.6921 7.6921 7.7467 7.7467 7.9573 7.9573 9.9755 9.9755 10.5322 10.5322 11.4185 11.4185 11.4776 11.4776 k = 0.0698 0.0403 0.3042 ( 3962 PWs) bands (ev): -32.2936 -32.2936 -13.5631 -13.5631 -13.2042 -13.2042 -13.1588 -13.1588 -2.2031 -2.2031 -2.1923 -2.1923 -0.6159 -0.6159 -0.5964 -0.5964 -0.4991 -0.4991 -0.3897 -0.3897 0.0399 0.0399 0.1224 0.1224 0.1810 0.1810 0.4243 0.4243 0.4769 0.4769 0.4953 0.4953 4.7180 4.7180 6.6662 6.6662 7.5151 7.5151 7.6555 7.6555 7.6867 7.6867 7.9387 7.9387 10.0605 10.0605 10.5658 10.5658 11.4327 11.4327 11.5127 11.5127 k = 0.0814 0.0470 0.3042 ( 3962 PWs) bands (ev): -32.2935 -32.2935 -13.5634 -13.5634 -13.2043 -13.2043 -13.1594 -13.1594 -2.1973 -2.1973 -2.1857 -2.1857 -0.6117 -0.6117 -0.5945 -0.5945 -0.5010 -0.5010 -0.3850 -0.3850 0.0405 0.0405 0.1247 0.1247 0.1855 0.1855 0.4259 0.4259 0.4734 0.4734 0.4970 0.4970 4.7193 4.7193 6.6629 6.6629 7.4265 7.4265 7.5897 7.5897 7.6560 7.6560 7.9191 7.9191 10.1438 10.1438 10.6074 10.6074 11.4423 11.4423 11.5542 11.5542 k = 0.0930 0.0537 0.3042 ( 3964 PWs) bands (ev): -32.2935 -32.2935 -13.5636 -13.5636 -13.2045 -13.2045 -13.1601 -13.1601 -2.1906 -2.1906 -2.1784 -2.1784 -0.6070 -0.6070 -0.5923 -0.5923 -0.5028 -0.5028 -0.3799 -0.3799 0.0414 0.0414 0.1271 0.1271 0.1906 0.1906 0.4279 0.4279 0.4695 0.4695 0.4990 0.4990 4.7203 4.7203 6.6548 6.6548 7.3296 7.3296 7.5213 7.5213 7.6264 7.6264 7.8989 7.8989 10.2207 10.2207 10.6582 10.6582 11.4447 11.4447 11.6013 11.6013 k = 0.1047 0.0604 0.3042 ( 3964 PWs) bands (ev): -32.2934 -32.2934 -13.5639 -13.5639 -13.2046 -13.2046 -13.1609 -13.1609 -2.1831 -2.1831 -2.1702 -2.1702 -0.6018 -0.6018 -0.5896 -0.5896 -0.5046 -0.5046 -0.3743 -0.3743 0.0427 0.0427 0.1295 0.1295 0.1961 0.1961 0.4301 0.4301 0.4654 0.4654 0.5015 0.5015 4.7210 4.7210 6.6382 6.6382 7.2332 7.2332 7.4527 7.4527 7.5930 7.5930 7.8786 7.8786 10.2874 10.2874 10.7182 10.7182 11.4374 11.4374 11.6528 11.6528 k = 0.1163 0.0671 0.3042 ( 3968 PWs) bands (ev): -32.2933 -32.2933 -13.5643 -13.5643 -13.2048 -13.2048 -13.1617 -13.1617 -2.1750 -2.1750 -2.1613 -2.1613 -0.5964 -0.5964 -0.5863 -0.5863 -0.5063 -0.5063 -0.3684 -0.3684 0.0444 0.0444 0.1320 0.1320 0.2019 0.2019 0.4323 0.4323 0.4613 0.4613 0.5044 0.5044 4.7210 4.7210 6.6079 6.6079 7.1460 7.1460 7.3832 7.3832 7.5557 7.5557 7.8586 7.8586 10.3427 10.3427 10.7857 10.7857 11.4182 11.4182 11.7081 11.7081 k = 0.1279 0.0738 0.3042 ( 3972 PWs) bands (ev): -32.2933 -32.2933 -13.5647 -13.5647 -13.2051 -13.2051 -13.1626 -13.1626 -2.1662 -2.1662 -2.1517 -2.1517 -0.5913 -0.5913 -0.5817 -0.5817 -0.5078 -0.5078 -0.3621 -0.3621 0.0465 0.0465 0.1345 0.1345 0.2078 0.2078 0.4342 0.4342 0.4576 0.4576 0.5079 0.5079 4.7202 4.7202 6.5577 6.5577 7.0762 7.0762 7.3127 7.3127 7.5146 7.5146 7.8389 7.8389 10.3869 10.3869 10.8566 10.8566 11.3870 11.3870 11.7661 11.7661 k = 0.1395 0.0806 0.3042 ( 3976 PWs) bands (ev): -32.2932 -32.2932 -13.5651 -13.5651 -13.2053 -13.2053 -13.1636 -13.1636 -2.1568 -2.1568 -2.1414 -2.1414 -0.5870 -0.5870 -0.5757 -0.5757 -0.5089 -0.5089 -0.3556 -0.3556 0.0490 0.0490 0.1371 0.1371 0.2136 0.2136 0.4347 0.4347 0.4555 0.4555 0.5121 0.5121 4.7183 4.7183 6.4842 6.4842 7.0287 7.0287 7.2416 7.2416 7.4701 7.4701 7.8195 7.8195 10.4217 10.4217 10.9255 10.9255 11.3458 11.3458 11.8261 11.8261 k = 0.1512 0.0873 0.3042 ( 3966 PWs) bands (ev): -32.2931 -32.2931 -13.5655 -13.5655 -13.2055 -13.2055 -13.1645 -13.1645 -2.1468 -2.1468 -2.1307 -2.1307 -0.5832 -0.5832 -0.5682 -0.5682 -0.5096 -0.5096 -0.3487 -0.3487 0.0522 0.0522 0.1399 0.1399 0.2194 0.2194 0.4328 0.4328 0.4562 0.4562 0.5174 0.5174 4.7150 4.7150 6.3896 6.3896 7.0021 7.0021 7.1703 7.1703 7.4228 7.4228 7.8005 7.8005 10.4488 10.4488 10.9862 10.9862 11.2988 11.2988 11.8872 11.8873 k = 0.1628 0.0940 0.3042 ( 3970 PWs) bands (ev): -32.2930 -32.2930 -13.5660 -13.5660 -13.2058 -13.2058 -13.1656 -13.1656 -2.1364 -2.1364 -2.1194 -2.1194 -0.5798 -0.5798 -0.5599 -0.5599 -0.5099 -0.5099 -0.3416 -0.3416 0.0558 0.0558 0.1427 0.1427 0.2247 0.2247 0.4286 0.4286 0.4591 0.4591 0.5236 0.5236 4.7100 4.7100 6.2797 6.2797 6.9912 6.9912 7.0995 7.0995 7.3732 7.3732 7.7817 7.7817 10.4692 10.4692 11.0316 11.0316 11.2526 11.2526 11.9485 11.9486 k = 0.1744 0.1007 0.3042 ( 3964 PWs) bands (ev): -32.2929 -32.2929 -13.5664 -13.5664 -13.2061 -13.2061 -13.1666 -13.1666 -2.1256 -2.1256 -2.1078 -2.1078 -0.5764 -0.5764 -0.5512 -0.5512 -0.5094 -0.5094 -0.3341 -0.3341 0.0600 0.0600 0.1458 0.1458 0.2296 0.2296 0.4233 0.4233 0.4632 0.4632 0.5314 0.5314 4.7029 4.7029 6.1600 6.1600 6.9901 6.9901 7.0308 7.0308 7.3218 7.3218 7.7631 7.7631 10.4835 10.4835 11.0531 11.0531 11.2167 11.2167 12.0208 12.0233 k = 0.1860 0.1074 0.3042 ( 3960 PWs) bands (ev): -32.2928 -32.2928 -13.5669 -13.5669 -13.2065 -13.2065 -13.1677 -13.1677 -2.1146 -2.1146 -2.0959 -2.0959 -0.5729 -0.5729 -0.5425 -0.5425 -0.5078 -0.5078 -0.3263 -0.3263 0.0648 0.0648 0.1490 0.1490 0.2338 0.2338 0.4173 0.4173 0.4678 0.4678 0.5408 0.5408 4.6934 4.6934 6.0346 6.0346 6.9576 6.9576 7.0023 7.0023 7.2692 7.2692 7.7445 7.7445 10.4916 10.4916 11.0452 11.0452 11.1986 11.1986 12.0635 12.0643 k = 0.1977 0.1141 0.3042 ( 3964 PWs) bands (ev): -32.2927 -32.2927 -13.5674 -13.5674 -13.2068 -13.2068 -13.1688 -13.1688 -2.1033 -2.1033 -2.0837 -2.0837 -0.5695 -0.5695 -0.5348 -0.5348 -0.5045 -0.5045 -0.3182 -0.3182 0.0700 0.0700 0.1524 0.1524 0.2374 0.2374 0.4111 0.4111 0.4725 0.4725 0.5519 0.5519 4.6813 4.6813 5.9061 5.9061 6.8921 6.8921 7.0136 7.0136 7.2157 7.2157 7.7261 7.7261 10.4930 10.4930 11.0179 11.0179 11.1918 11.1918 12.1123 12.1140 k = 0.2093 0.1208 0.3042 ( 3960 PWs) bands (ev): -32.2926 -32.2926 -13.5680 -13.5680 -13.2072 -13.2072 -13.1699 -13.1699 -2.0919 -2.0919 -2.0713 -2.0713 -0.5660 -0.5660 -0.5287 -0.5287 -0.4986 -0.4986 -0.3097 -0.3097 0.0759 0.0759 0.1561 0.1561 0.2402 0.2402 0.4047 0.4047 0.4772 0.4772 0.5650 0.5650 4.6660 4.6660 5.7762 5.7762 6.8281 6.8281 7.0297 7.0297 7.1618 7.1618 7.7077 7.7077 10.4874 10.4874 10.9866 10.9866 11.1846 11.1846 12.1586 12.1649 k = 0.2209 0.1276 0.3042 ( 3956 PWs) bands (ev): -32.2925 -32.2925 -13.5685 -13.5685 -13.2076 -13.2076 -13.1710 -13.1710 -2.0804 -2.0804 -2.0589 -2.0589 -0.5625 -0.5625 -0.5245 -0.5245 -0.4901 -0.4901 -0.3009 -0.3009 0.0821 0.0821 0.1602 0.1602 0.2423 0.2423 0.3985 0.3985 0.4817 0.4817 0.5799 0.5799 4.6474 4.6474 5.6462 5.6462 6.7669 6.7669 7.0483 7.0483 7.1082 7.1082 7.6894 7.6894 10.4744 10.4744 10.9597 10.9597 11.1725 11.1725 12.1408 12.1408 k = 0.2326 0.1343 0.3042 ( 3972 PWs) bands (ev): -32.2924 -32.2924 -13.5691 -13.5691 -13.2081 -13.2081 -13.1721 -13.1721 -2.0690 -2.0690 -2.0464 -2.0464 -0.5592 -0.5592 -0.5217 -0.5217 -0.4798 -0.4798 -0.2917 -0.2917 0.0886 0.0886 0.1646 0.1646 0.2435 0.2435 0.3923 0.3923 0.4859 0.4859 0.5966 0.5966 4.6251 4.6251 5.5169 5.5169 6.7090 6.7090 7.0518 7.0518 7.0722 7.0722 7.6711 7.6711 10.4545 10.4545 10.9400 10.9400 11.1550 11.1550 12.0620 12.0620 k = 0.2442 0.1410 0.3042 ( 3972 PWs) bands (ev): -32.2922 -32.2922 -13.5697 -13.5697 -13.2085 -13.2085 -13.1731 -13.1731 -2.0576 -2.0576 -2.0340 -2.0340 -0.5559 -0.5559 -0.5195 -0.5195 -0.4683 -0.4683 -0.2820 -0.2820 0.0954 0.0954 0.1697 0.1697 0.2442 0.2442 0.3865 0.3865 0.4902 0.4902 0.6149 0.6149 4.5989 4.5989 5.3892 5.3892 6.6548 6.6548 7.0002 7.0002 7.0934 7.0934 7.6530 7.6530 10.4291 10.4291 10.9281 10.9281 11.1331 11.1331 11.9726 11.9726 k = 0.2558 0.1477 0.3042 ( 3968 PWs) bands (ev): -32.2921 -32.2921 -13.5703 -13.5703 -13.2090 -13.2090 -13.1742 -13.1742 -2.0464 -2.0464 -2.0218 -2.0218 -0.5525 -0.5525 -0.5174 -0.5174 -0.4563 -0.4563 -0.2718 -0.2718 0.1023 0.1023 0.1756 0.1756 0.2442 0.2442 0.3812 0.3812 0.4945 0.4945 0.6347 0.6347 4.5686 4.5686 5.2635 5.2635 6.6045 6.6045 6.9480 6.9480 7.1175 7.1175 7.6351 7.6351 10.3999 10.3999 10.9230 10.9230 11.1078 11.1078 11.8803 11.8803 k = 0.2674 0.1544 0.3042 ( 3966 PWs) bands (ev): -32.2920 -32.2920 -13.5709 -13.5709 -13.2095 -13.2095 -13.1752 -13.1752 -2.0355 -2.0355 -2.0098 -2.0098 -0.5492 -0.5492 -0.5154 -0.5154 -0.4441 -0.4441 -0.2611 -0.2611 0.1089 0.1089 0.1822 0.1822 0.2436 0.2436 0.3764 0.3764 0.4990 0.4990 0.6556 0.6556 4.5341 4.5341 5.1406 5.1406 6.5583 6.5583 6.8967 6.8967 7.1427 7.1427 7.6174 7.6174 10.3689 10.3689 10.9230 10.9230 11.0803 11.0803 11.7874 11.7874 k = 0.2791 0.1611 0.3042 ( 3962 PWs) bands (ev): -32.2919 -32.2919 -13.5715 -13.5715 -13.2100 -13.2100 -13.1761 -13.1761 -2.0248 -2.0248 -1.9981 -1.9981 -0.5459 -0.5459 -0.5134 -0.5134 -0.4321 -0.4321 -0.2498 -0.2498 0.1151 0.1151 0.1897 0.1897 0.2427 0.2427 0.3724 0.3724 0.5037 0.5037 0.6775 0.6775 4.4952 4.4952 5.0210 5.0210 6.5163 6.5163 6.8467 6.8467 7.1688 7.1688 7.5999 7.5999 10.3376 10.3376 10.9260 10.9260 11.0522 11.0522 11.6949 11.6949 k = 0.2907 0.1678 0.3042 ( 3962 PWs) bands (ev): -32.2918 -32.2918 -13.5721 -13.5721 -13.2105 -13.2105 -13.1771 -13.1771 -2.0145 -2.0145 -1.9867 -1.9867 -0.5428 -0.5428 -0.5113 -0.5113 -0.4204 -0.4204 -0.2380 -0.2380 0.1207 0.1207 0.1977 0.1977 0.2415 0.2415 0.3693 0.3693 0.5088 0.5088 0.7000 0.7000 4.4519 4.4519 4.9052 4.9052 6.4784 6.4784 6.7982 6.7982 7.1957 7.1957 7.5829 7.5829 10.3073 10.3073 10.9286 10.9286 11.0262 11.0262 11.6038 11.6038 k = 0.3023 0.1745 0.3042 ( 3964 PWs) bands (ev): -32.2917 -32.2917 -13.5727 -13.5727 -13.2110 -13.2110 -13.1780 -13.1780 -2.0045 -2.0045 -1.9757 -1.9757 -0.5398 -0.5398 -0.5092 -0.5092 -0.4091 -0.4091 -0.2257 -0.2257 0.1255 0.1255 0.2059 0.2059 0.2405 0.2405 0.3674 0.3674 0.5146 0.5146 0.7230 0.7230 4.4043 4.4043 4.7940 4.7940 6.4447 6.4447 6.7513 6.7513 7.2230 7.2230 7.5663 7.5663 10.2790 10.2790 10.9245 10.9245 11.0083 11.0083 11.5148 11.5148 k = 0.3140 0.1813 0.3042 ( 3960 PWs) bands (ev): -32.2916 -32.2916 -13.5732 -13.5732 -13.2116 -13.2116 -13.1788 -13.1788 -1.9950 -1.9950 -1.9652 -1.9652 -0.5368 -0.5368 -0.5071 -0.5071 -0.3984 -0.3984 -0.2131 -0.2131 0.1295 0.1295 0.2131 0.2131 0.2407 0.2407 0.3669 0.3669 0.5212 0.5212 0.7461 0.7461 4.3525 4.3525 4.6881 4.6881 6.4148 6.4148 6.7063 6.7063 7.2507 7.2507 7.5502 7.5502 10.2532 10.2532 10.9070 10.9070 11.0048 11.0048 11.4286 11.4286 k = 0.3256 0.1880 0.3042 ( 3956 PWs) bands (ev): -32.2915 -32.2915 -13.5738 -13.5738 -13.2121 -13.2121 -13.1795 -13.1795 -1.9860 -1.9860 -1.9552 -1.9552 -0.5338 -0.5338 -0.5050 -0.5050 -0.3885 -0.3885 -0.2002 -0.2002 0.1329 0.1329 0.2173 0.2173 0.2432 0.2432 0.3681 0.3681 0.5289 0.5289 0.7690 0.7690 4.2964 4.2964 4.5882 4.5882 6.3885 6.3885 6.6633 6.6633 7.2785 7.2785 7.5347 7.5347 10.2302 10.2302 10.8787 10.8787 11.0126 11.0126 11.3460 11.3460 k = 0.3372 0.1947 0.3042 ( 3958 PWs) bands (ev): -32.2914 -32.2914 -13.5743 -13.5743 -13.2127 -13.2127 -13.1803 -13.1803 -1.9775 -1.9775 -1.9457 -1.9457 -0.5309 -0.5309 -0.5029 -0.5029 -0.3792 -0.3792 -0.1872 -0.1872 0.1355 0.1355 0.2179 0.2179 0.2483 0.2483 0.3712 0.3712 0.5381 0.5381 0.7915 0.7915 4.2364 4.2364 4.4950 4.4950 6.3656 6.3656 6.6225 6.6225 7.3062 7.3062 7.5198 7.5198 10.2102 10.2102 10.8454 10.8454 11.0257 11.0257 11.2680 11.2680 k = 0.3488 0.2014 0.3042 ( 3968 PWs) bands (ev): -32.2913 -32.2913 -13.5749 -13.5749 -13.2133 -13.2133 -13.1810 -13.1810 -1.9695 -1.9695 -1.9368 -1.9368 -0.5281 -0.5281 -0.5011 -0.5011 -0.3709 -0.3709 -0.1742 -0.1742 0.1376 0.1376 0.2160 0.2160 0.2541 0.2541 0.3761 0.3761 0.5490 0.5490 0.8130 0.8130 4.1729 4.1729 4.4089 4.4089 6.3458 6.3458 6.5839 6.5839 7.3337 7.3337 7.5057 7.5057 10.1930 10.1930 10.8099 10.8099 11.0400 11.0400 11.1960 11.1960 k = 0.3605 0.2081 0.3042 ( 3964 PWs) bands (ev): -32.2912 -32.2912 -13.5754 -13.5754 -13.2138 -13.2138 -13.1816 -13.1816 -1.9621 -1.9621 -1.9284 -1.9284 -0.5254 -0.5254 -0.4992 -0.4992 -0.3632 -0.3632 -0.1613 -0.1613 0.1393 0.1393 0.2129 0.2129 0.2595 0.2595 0.3829 0.3829 0.5622 0.5622 0.8334 0.8334 4.1070 4.1070 4.3301 4.3301 6.3286 6.3286 6.5479 6.5479 7.3607 7.3607 7.4925 7.4925 10.1786 10.1786 10.7738 10.7738 11.0489 11.0489 11.1359 11.1359 k = 0.3721 0.2148 0.3042 ( 3964 PWs) bands (ev): -32.2911 -32.2911 -13.5759 -13.5759 -13.2143 -13.2143 -13.1821 -13.1821 -1.9553 -1.9553 -1.9207 -1.9207 -0.5227 -0.5227 -0.4976 -0.4976 -0.3562 -0.3562 -0.1487 -0.1487 0.1406 0.1406 0.2092 0.2092 0.2637 0.2637 0.3908 0.3908 0.5779 0.5779 0.8522 0.8522 4.0402 4.0402 4.2582 4.2582 6.3139 6.3139 6.5143 6.5143 7.3869 7.3869 7.4804 7.4804 10.1666 10.1666 10.7379 10.7379 11.0288 11.0288 11.1108 11.1108 k = 0.3837 0.2215 0.3042 ( 3968 PWs) bands (ev): -32.2910 -32.2910 -13.5763 -13.5763 -13.2148 -13.2148 -13.1826 -13.1826 -1.9490 -1.9490 -1.9137 -1.9137 -0.5201 -0.5201 -0.4961 -0.4961 -0.3500 -0.3500 -0.1367 -0.1367 0.1417 0.1417 0.2050 0.2050 0.2667 0.2667 0.3990 0.3990 0.5962 0.5962 0.8690 0.8690 3.9741 3.9741 4.1926 4.1926 6.3013 6.3013 6.4835 6.4835 7.4115 7.4115 7.4698 7.4698 10.1566 10.1566 10.7032 10.7032 10.9798 10.9798 11.1199 11.1199 k = 0.3953 0.2283 0.3042 ( 3960 PWs) bands (ev): -32.2910 -32.2910 -13.5767 -13.5767 -13.2153 -13.2153 -13.1831 -13.1831 -1.9433 -1.9433 -1.9073 -1.9073 -0.5174 -0.5174 -0.4949 -0.4949 -0.3444 -0.3444 -0.1252 -0.1252 0.1428 0.1428 0.2006 0.2006 0.2687 0.2687 0.4071 0.4071 0.6173 0.6173 0.8835 0.8835 3.9104 3.9104 4.1326 4.1326 6.2905 6.2905 6.4554 6.4554 7.4323 7.4323 7.4628 7.4628 10.1481 10.1481 10.6708 10.6708 10.9277 10.9277 11.1372 11.1372 k = 0.4070 0.2350 0.3042 ( 3960 PWs) bands (ev): -32.2909 -32.2909 -13.5771 -13.5771 -13.2157 -13.2157 -13.1835 -13.1835 -1.9383 -1.9383 -1.9015 -1.9015 -0.5150 -0.5150 -0.4938 -0.4938 -0.3394 -0.3394 -0.1146 -0.1146 0.1438 0.1438 0.1960 0.1960 0.2699 0.2699 0.4145 0.4145 0.6408 0.6408 0.8952 0.8952 3.8507 3.8507 4.0779 4.0779 6.2812 6.2812 6.4301 6.4301 7.4392 7.4392 7.4693 7.4693 10.1407 10.1407 10.6416 10.6416 10.8784 10.8784 11.1560 11.1560 k = 0.4186 0.2417 0.3042 ( 3964 PWs) bands (ev): -32.2908 -32.2908 -13.5775 -13.5775 -13.2161 -13.2161 -13.1838 -13.1838 -1.9338 -1.9338 -1.8965 -1.8965 -0.5126 -0.5126 -0.4931 -0.4931 -0.3352 -0.3352 -0.1049 -0.1049 0.1448 0.1448 0.1913 0.1913 0.2706 0.2706 0.4210 0.4210 0.6661 0.6661 0.9038 0.9038 3.7961 3.7961 4.0285 4.0285 6.2734 6.2734 6.4079 6.4079 7.4342 7.4342 7.4870 7.4870 10.1339 10.1339 10.6167 10.6167 10.8328 10.8328 11.1749 11.1749 k = 0.4302 0.2484 0.3042 ( 3956 PWs) bands (ev): -32.2908 -32.2908 -13.5777 -13.5777 -13.2164 -13.2164 -13.1841 -13.1841 -1.9299 -1.9299 -1.8921 -1.8921 -0.5103 -0.5103 -0.4925 -0.4925 -0.3315 -0.3315 -0.0961 -0.0961 0.1462 0.1462 0.1866 0.1866 0.2710 0.2710 0.4265 0.4265 0.6927 0.6927 0.9091 0.9091 3.7476 3.7476 3.9845 3.9845 6.2668 6.2668 6.3886 6.3886 7.4276 7.4276 7.5053 7.5053 10.1274 10.1274 10.5971 10.5971 10.7912 10.7912 11.1927 11.1927 k = 0.4419 0.2551 0.3042 ( 3948 PWs) bands (ev): -32.2907 -32.2907 -13.5780 -13.5780 -13.2167 -13.2167 -13.1843 -13.1843 -1.9266 -1.9266 -1.8883 -1.8883 -0.5083 -0.5083 -0.4921 -0.4921 -0.3283 -0.3283 -0.0885 -0.0885 0.1477 0.1477 0.1819 0.1819 0.2712 0.2712 0.4310 0.4310 0.7198 0.7198 0.9110 0.9110 3.7057 3.7057 3.9462 3.9462 6.2612 6.2612 6.3723 6.3723 7.4215 7.4215 7.5219 7.5219 10.1211 10.1211 10.5832 10.5832 10.7533 10.7533 11.2091 11.2091 k = 0.4535 0.2618 0.3042 ( 3960 PWs) bands (ev): -32.2907 -32.2907 -13.5782 -13.5782 -13.2170 -13.2170 -13.1845 -13.1845 -1.9239 -1.9239 -1.8853 -1.8853 -0.5065 -0.5065 -0.4920 -0.4920 -0.3259 -0.3259 -0.0823 -0.0823 0.1494 0.1494 0.1772 0.1772 0.2712 0.2712 0.4344 0.4344 0.7464 0.7464 0.9092 0.9092 3.6710 3.6710 3.9140 3.9140 6.2567 6.2567 6.3591 6.3591 7.4164 7.4164 7.5361 7.5361 10.1151 10.1151 10.5753 10.5753 10.7193 10.7193 11.2233 11.2233 k = 0.4651 0.2685 0.3042 ( 3956 PWs) bands (ev): -32.2907 -32.2907 -13.5784 -13.5784 -13.2172 -13.2172 -13.1847 -13.1847 -1.9219 -1.9219 -1.8829 -1.8829 -0.5049 -0.5049 -0.4920 -0.4920 -0.3239 -0.3239 -0.0773 -0.0773 0.1516 0.1516 0.1727 0.1727 0.2712 0.2712 0.4371 0.4371 0.7716 0.7716 0.9042 0.9042 3.6438 3.6438 3.8883 3.8883 6.2531 6.2531 6.3490 6.3490 7.4123 7.4123 7.5475 7.5475 10.1098 10.1098 10.5732 10.5732 10.6893 10.6893 11.2350 11.2350 k = 0.4767 0.2752 0.3042 ( 3956 PWs) bands (ev): -32.2906 -32.2906 -13.5785 -13.5785 -13.2174 -13.2174 -13.1848 -13.1848 -1.9204 -1.9204 -1.8813 -1.8813 -0.5038 -0.5038 -0.4921 -0.4921 -0.3225 -0.3225 -0.0736 -0.0736 0.1541 0.1541 0.1685 0.1685 0.2712 0.2712 0.4389 0.4389 0.7940 0.7940 0.8967 0.8967 3.6243 3.6243 3.8696 3.8696 6.2505 6.2505 6.3418 6.3418 7.4093 7.4093 7.5559 7.5559 10.1055 10.1055 10.5758 10.5758 10.6641 10.6641 11.2437 11.2437 k = 0.4884 0.2820 0.3042 ( 3956 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1848 -13.1848 -1.9195 -1.9195 -1.8803 -1.8803 -0.5030 -0.5030 -0.4922 -0.4922 -0.3216 -0.3216 -0.0714 -0.0714 0.1570 0.1570 0.1646 0.1646 0.2711 0.2711 0.4400 0.4400 0.8110 0.8110 0.8889 0.8889 3.6125 3.6125 3.8583 3.8583 6.2489 6.2489 6.3375 6.3375 7.4076 7.4076 7.5610 7.5610 10.1027 10.1027 10.5811 10.5811 10.6454 10.6454 11.2490 11.2490 k = 0.5000 0.2887 0.3042 ( 3960 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9192 -1.9192 -1.8799 -1.8799 -0.5028 -0.5028 -0.4922 -0.4922 -0.3214 -0.3214 -0.0707 -0.0707 0.1591 0.1591 0.1621 0.1621 0.2711 0.2711 0.4404 0.4404 0.8178 0.8178 0.8850 0.8850 3.6086 3.6086 3.8545 3.8545 6.2484 6.2484 6.3360 6.3360 7.4070 7.4070 7.5627 7.5627 10.1017 10.1017 10.5842 10.5842 10.6378 10.6378 11.2508 11.2508 k = 0.5000 0.2887 0.3042 ( 3960 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9192 -1.9192 -1.8799 -1.8799 -0.5028 -0.5028 -0.4922 -0.4922 -0.3214 -0.3214 -0.0707 -0.0707 0.1591 0.1591 0.1621 0.1621 0.2711 0.2711 0.4404 0.4404 0.8178 0.8178 0.8850 0.8850 3.6086 3.6086 3.8545 3.8545 6.2484 6.2484 6.3360 6.3360 7.4070 7.4070 7.5627 7.5627 10.1017 10.1017 10.5842 10.5842 10.6378 10.6378 11.2508 11.2508 k = 0.4933 0.3002 0.3042 ( 3960 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9192 -1.9192 -1.8797 -1.8797 -0.5031 -0.5031 -0.4918 -0.4918 -0.3215 -0.3215 -0.0707 -0.0707 0.1573 0.1573 0.1641 0.1641 0.2711 0.2711 0.4402 0.4402 0.8179 0.8179 0.8859 0.8859 3.6094 3.6094 3.8549 3.8549 6.2482 6.2482 6.3314 6.3314 7.4006 7.4006 7.5615 7.5615 10.1047 10.1047 10.5916 10.5916 10.6443 10.6443 11.2486 11.2486 k = 0.4867 0.3118 0.3042 ( 3964 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2174 -13.2174 -13.1850 -13.1850 -1.9190 -1.9190 -1.8790 -1.8790 -0.5041 -0.5041 -0.4907 -0.4907 -0.3218 -0.3218 -0.0708 -0.0708 0.1549 0.1549 0.1672 0.1672 0.2711 0.2711 0.4398 0.4398 0.8182 0.8182 0.8883 0.8883 3.6117 3.6117 3.8561 3.8561 6.2467 6.2467 6.3183 6.3183 7.3820 7.3820 7.5579 7.5579 10.1135 10.1135 10.6136 10.6136 10.6636 10.6636 11.2420 11.2420 k = 0.4800 0.3233 0.3042 ( 3962 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2173 -13.2173 -13.1852 -13.1852 -1.9188 -1.9188 -1.8779 -1.8779 -0.5053 -0.5053 -0.4891 -0.4891 -0.3224 -0.3224 -0.0710 -0.0710 0.1529 0.1529 0.1706 0.1706 0.2711 0.2711 0.4391 0.4391 0.8188 0.8188 0.8924 0.8924 3.6156 3.6156 3.8581 3.8581 6.2404 6.2404 6.3007 6.3007 7.3519 7.3519 7.5520 7.5520 10.1271 10.1271 10.6502 10.6502 10.6951 10.6951 11.2319 11.2319 k = 0.4733 0.3349 0.3042 ( 3966 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2172 -13.2172 -13.1855 -13.1855 -1.9185 -1.9185 -1.8764 -1.8764 -0.5068 -0.5068 -0.4872 -0.4872 -0.3232 -0.3232 -0.0712 -0.0712 0.1513 0.1513 0.1741 0.1741 0.2712 0.2712 0.4380 0.4380 0.8196 0.8196 0.8978 0.8978 3.6210 3.6210 3.8609 3.8609 6.2209 6.2209 6.2876 6.2876 7.3117 7.3117 7.5439 7.5439 10.1448 10.1448 10.7007 10.7007 10.7380 10.7380 11.2194 11.2194 k = 0.4667 0.3464 0.3042 ( 3964 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2170 -13.2170 -13.1859 -13.1859 -1.9180 -1.9180 -1.8746 -1.8746 -0.5082 -0.5082 -0.4852 -0.4852 -0.3241 -0.3241 -0.0714 -0.0714 0.1503 0.1503 0.1776 0.1776 0.2712 0.2712 0.4365 0.4365 0.8209 0.8209 0.9047 0.9047 3.6278 3.6278 3.8644 3.8644 6.1840 6.1840 6.2838 6.2838 7.2632 7.2632 7.5336 7.5336 10.1656 10.1656 10.7637 10.7637 10.7910 10.7910 11.2062 11.2062 k = 0.4600 0.3580 0.3042 ( 3960 PWs) bands (ev): -32.2906 -32.2906 -13.5788 -13.5788 -13.2168 -13.2168 -13.1863 -13.1863 -1.9174 -1.9174 -1.8724 -1.8724 -0.5097 -0.5097 -0.4829 -0.4829 -0.3252 -0.3252 -0.0716 -0.0716 0.1498 0.1498 0.1811 0.1811 0.2714 0.2714 0.4346 0.4346 0.8226 0.8226 0.9128 0.9128 3.6361 3.6361 3.8685 3.8685 6.1347 6.1347 6.2849 6.2849 7.2085 7.2085 7.5212 7.5212 10.1888 10.1888 10.8340 10.8340 10.8554 10.8554 11.1948 11.1948 k = 0.4533 0.3695 0.3042 ( 3964 PWs) bands (ev): -32.2906 -32.2906 -13.5788 -13.5788 -13.2165 -13.2165 -13.1868 -13.1868 -1.9168 -1.9168 -1.8699 -1.8699 -0.5111 -0.5111 -0.4807 -0.4807 -0.3266 -0.3266 -0.0718 -0.0718 0.1500 0.1500 0.1845 0.1845 0.2716 0.2716 0.4321 0.4321 0.8248 0.8248 0.9220 0.9220 3.6457 3.6457 3.8732 3.8732 6.0770 6.0770 6.2875 6.2875 7.1498 7.1498 7.5066 7.5066 10.2139 10.2139 10.8994 10.8994 10.9370 10.9370 11.1899 11.1899 k = 0.4467 0.3811 0.3042 ( 3964 PWs) bands (ev): -32.2905 -32.2905 -13.5789 -13.5789 -13.2163 -13.2163 -13.1874 -13.1874 -1.9160 -1.9160 -1.8672 -1.8672 -0.5125 -0.5125 -0.4783 -0.4783 -0.3282 -0.3282 -0.0720 -0.0720 0.1507 0.1507 0.1878 0.1878 0.2720 0.2720 0.4291 0.4291 0.8274 0.8274 0.9323 0.9323 3.6567 3.6567 3.8783 3.8783 6.0132 6.0132 6.2898 6.2898 7.0894 7.0894 7.4900 7.4900 10.2408 10.2408 10.9522 10.9522 11.0321 11.0321 11.2002 11.2002 k = 0.4400 0.3926 0.3042 ( 3964 PWs) bands (ev): -32.2905 -32.2905 -13.5789 -13.5789 -13.2159 -13.2159 -13.1880 -13.1880 -1.9151 -1.9151 -1.8642 -1.8642 -0.5138 -0.5138 -0.4759 -0.4759 -0.3300 -0.3300 -0.0720 -0.0720 0.1521 0.1521 0.1912 0.1912 0.2724 0.2724 0.4256 0.4256 0.8306 0.8306 0.9434 0.9434 3.6688 3.6688 3.8836 3.8836 5.9449 5.9449 6.2904 6.2904 7.0298 7.0298 7.4715 7.4715 10.2693 10.2693 10.9840 10.9840 11.1357 11.1357 11.2371 11.2371 k = 0.4333 0.4041 0.3042 ( 3976 PWs) bands (ev): -32.2905 -32.2905 -13.5790 -13.5790 -13.2156 -13.2156 -13.1888 -13.1888 -1.9141 -1.9141 -1.8612 -1.8612 -0.5151 -0.5151 -0.4735 -0.4735 -0.3319 -0.3319 -0.0720 -0.0720 0.1538 0.1538 0.1945 0.1945 0.2728 0.2728 0.4215 0.4215 0.8341 0.8341 0.9551 0.9551 3.6820 3.6820 3.8891 3.8891 5.8735 5.8735 6.2879 6.2879 6.9736 6.9736 7.4511 7.4511 10.2994 10.2994 10.9928 10.9928 11.2449 11.2449 11.3026 11.3026 k = 0.4267 0.4157 0.3042 ( 3984 PWs) bands (ev): -32.2905 -32.2905 -13.5791 -13.5791 -13.2152 -13.2152 -13.1895 -13.1895 -1.9131 -1.9131 -1.8580 -1.8580 -0.5163 -0.5163 -0.4711 -0.4711 -0.3340 -0.3340 -0.0719 -0.0719 0.1560 0.1560 0.1978 0.1978 0.2734 0.2734 0.4169 0.4169 0.8381 0.8381 0.9675 0.9675 3.6962 3.6962 3.8946 3.8946 5.8001 5.8001 6.2806 6.2806 6.9235 6.9235 7.4291 7.4291 10.3309 10.3309 10.9870 10.9870 11.3572 11.3572 11.3880 11.3880 k = 0.4200 0.4272 0.3042 ( 3976 PWs) bands (ev): -32.2905 -32.2905 -13.5792 -13.5792 -13.2148 -13.2148 -13.1903 -13.1903 -1.9119 -1.9119 -1.8548 -1.8548 -0.5173 -0.5173 -0.4686 -0.4686 -0.3361 -0.3361 -0.0715 -0.0715 0.1585 0.1585 0.2014 0.2014 0.2742 0.2742 0.4119 0.4119 0.8426 0.8426 0.9804 0.9804 3.7111 3.7111 3.8998 3.8998 5.7260 5.7260 6.2673 6.2673 6.8820 6.8820 7.4056 7.4056 10.3639 10.3639 10.9743 10.9743 11.4688 11.4688 11.4871 11.4871 k = 0.4133 0.4388 0.3042 ( 3980 PWs) bands (ev): -32.2905 -32.2905 -13.5793 -13.5793 -13.2144 -13.2144 -13.1911 -13.1911 -1.9107 -1.9107 -1.8516 -1.8516 -0.5182 -0.5182 -0.4661 -0.4661 -0.3383 -0.3383 -0.0711 -0.0711 0.1611 0.1611 0.2052 0.2052 0.2750 0.2750 0.4064 0.4064 0.8473 0.8473 0.9935 0.9935 3.7267 3.7267 3.9047 3.9047 5.6522 5.6522 6.2469 6.2469 6.8508 6.8508 7.3806 7.3806 10.3980 10.3980 10.9585 10.9585 11.5761 11.5761 11.5968 11.5968 k = 0.4067 0.4503 0.3042 ( 3968 PWs) bands (ev): -32.2904 -32.2904 -13.5793 -13.5793 -13.2139 -13.2139 -13.1918 -13.1918 -1.9095 -1.9095 -1.8483 -1.8483 -0.5190 -0.5190 -0.4636 -0.4636 -0.3404 -0.3404 -0.0704 -0.0704 0.1639 0.1639 0.2092 0.2092 0.2760 0.2760 0.4007 0.4007 0.8525 0.8525 1.0066 1.0066 3.7427 3.7427 3.9090 3.9090 5.5798 5.5798 6.2196 6.2196 6.8307 6.8307 7.3544 7.3544 10.4332 10.4332 10.9413 10.9413 11.6823 11.6824 11.7089 11.7089 k = 0.4000 0.4619 0.3042 ( 3968 PWs) bands (ev): -32.2904 -32.2904 -13.5794 -13.5794 -13.2135 -13.2135 -13.1927 -13.1927 -1.9082 -1.9082 -1.8452 -1.8452 -0.5198 -0.5198 -0.4612 -0.4612 -0.3427 -0.3427 -0.0696 -0.0696 0.1664 0.1664 0.2134 0.2134 0.2769 0.2769 0.3947 0.3947 0.8579 0.8579 1.0195 1.0195 3.7588 3.7588 3.9125 3.9125 5.5097 5.5097 6.1863 6.1863 6.8215 6.8215 7.3272 7.3272 10.4692 10.4692 10.9238 10.9238 11.7891 11.7891 11.8176 11.8176 k = 0.3933 0.4734 0.3042 ( 3962 PWs) bands (ev): -32.2904 -32.2904 -13.5795 -13.5795 -13.2130 -13.2130 -13.1935 -13.1935 -1.9070 -1.9070 -1.8422 -1.8422 -0.5203 -0.5203 -0.4588 -0.4588 -0.3448 -0.3448 -0.0686 -0.0686 0.1688 0.1688 0.2179 0.2179 0.2781 0.2781 0.3885 0.3885 0.8635 0.8635 1.0320 1.0320 3.7749 3.7749 3.9150 3.9150 5.4430 5.4430 6.1491 6.1491 6.8218 6.8218 7.2990 7.2990 10.5056 10.5056 10.9062 10.9062 11.8955 11.8955 11.9195 11.9195 k = 0.3867 0.4850 0.3042 ( 3966 PWs) bands (ev): -32.2903 -32.2903 -13.5796 -13.5796 -13.2125 -13.2125 -13.1943 -13.1943 -1.9058 -1.9058 -1.8394 -1.8394 -0.5209 -0.5209 -0.4566 -0.4566 -0.3469 -0.3469 -0.0676 -0.0676 0.1708 0.1708 0.2226 0.2226 0.2793 0.2793 0.3822 0.3822 0.8692 0.8692 1.0438 1.0438 3.7906 3.7906 3.9163 3.9163 5.3806 5.3806 6.1102 6.1102 6.8300 6.8300 7.2701 7.2701 10.5419 10.5419 10.8890 10.8890 11.9997 11.9997 12.0112 12.0112 k = 0.3800 0.4965 0.3042 ( 3962 PWs) bands (ev): -32.2903 -32.2903 -13.5796 -13.5796 -13.2121 -13.2121 -13.1951 -13.1951 -1.9046 -1.9046 -1.8368 -1.8368 -0.5214 -0.5214 -0.4544 -0.4544 -0.3489 -0.3489 -0.0665 -0.0665 0.1725 0.1725 0.2273 0.2273 0.2806 0.2806 0.3760 0.3760 0.8749 0.8749 1.0549 1.0549 3.8057 3.8057 3.9163 3.9163 5.3233 5.3233 6.0716 6.0716 6.8445 6.8445 7.2406 7.2406 10.5779 10.5779 10.8722 10.8722 12.0835 12.0835 12.1051 12.1051 k = 0.3733 0.5081 0.3042 ( 3962 PWs) bands (ev): -32.2903 -32.2903 -13.5797 -13.5797 -13.2116 -13.2116 -13.1958 -13.1958 -1.9035 -1.9035 -1.8345 -1.8345 -0.5217 -0.5217 -0.4525 -0.4525 -0.3506 -0.3506 -0.0654 -0.0654 0.1739 0.1739 0.2318 0.2318 0.2820 0.2820 0.3701 0.3701 0.8806 0.8806 1.0648 1.0648 3.8199 3.8199 3.9150 3.9150 5.2720 5.2720 6.0352 6.0352 6.8637 6.8637 7.2106 7.2106 10.6127 10.6127 10.8558 10.8558 12.1383 12.1383 12.2032 12.2032 k = 0.3667 0.5196 0.3042 ( 3958 PWs) bands (ev): -32.2903 -32.2903 -13.5798 -13.5798 -13.2112 -13.2112 -13.1964 -13.1964 -1.9026 -1.9026 -1.8324 -1.8324 -0.5220 -0.5220 -0.4506 -0.4506 -0.3522 -0.3522 -0.0643 -0.0643 0.1750 0.1750 0.2360 0.2360 0.2836 0.2836 0.3646 0.3646 0.8861 0.8861 1.0735 1.0735 3.8329 3.8329 3.9123 3.9123 5.2274 5.2274 6.0025 6.0025 6.8865 6.8865 7.1803 7.1803 10.6460 10.6460 10.8399 10.8399 12.1700 12.1700 12.2955 12.2955 k = 0.3600 0.5312 0.3042 ( 3954 PWs) bands (ev): -32.2903 -32.2903 -13.5798 -13.5798 -13.2108 -13.2108 -13.1970 -13.1970 -1.9017 -1.9017 -1.8306 -1.8306 -0.5222 -0.5222 -0.4491 -0.4491 -0.3536 -0.3536 -0.0633 -0.0633 0.1758 0.1758 0.2397 0.2397 0.2852 0.2852 0.3596 0.3596 0.8911 0.8911 1.0809 1.0809 3.8446 3.8446 3.9084 3.9084 5.1902 5.1902 5.9746 5.9746 6.9121 6.9121 7.1499 7.1499 10.6770 10.6770 10.8245 10.8245 12.1828 12.1828 12.3790 12.3790 k = 0.3533 0.5427 0.3042 ( 3956 PWs) bands (ev): -32.2903 -32.2903 -13.5799 -13.5799 -13.2106 -13.2106 -13.1975 -13.1975 -1.9010 -1.9010 -1.8292 -1.8292 -0.5224 -0.5224 -0.4478 -0.4478 -0.3547 -0.3547 -0.0624 -0.0624 0.1764 0.1764 0.2425 0.2425 0.2867 0.2867 0.3554 0.3554 0.8956 0.8956 1.0866 1.0866 3.8546 3.8546 3.9035 3.9035 5.1610 5.1610 5.9522 5.9522 6.9395 6.9395 7.1194 7.1194 10.7050 10.7050 10.8094 10.8094 12.1844 12.1844 12.4500 12.4500 k = 0.3467 0.5543 0.3042 ( 3948 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2103 -13.2103 -13.1978 -13.1978 -1.9005 -1.9005 -1.8282 -1.8282 -0.5224 -0.5224 -0.4468 -0.4468 -0.3554 -0.3554 -0.0616 -0.0616 0.1768 0.1768 0.2446 0.2446 0.2880 0.2880 0.3523 0.3523 0.8992 0.8992 1.0908 1.0908 3.8628 3.8628 3.8981 3.8981 5.1400 5.1400 5.9360 5.9360 6.9682 6.9682 7.0890 7.0890 10.7295 10.7295 10.7947 10.7947 12.1816 12.1816 12.5044 12.5044 k = 0.3400 0.5658 0.3042 ( 3956 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2102 -13.2102 -13.1981 -13.1981 -1.9002 -1.9002 -1.8275 -1.8275 -0.5225 -0.5225 -0.4462 -0.4462 -0.3560 -0.3560 -0.0612 -0.0612 0.1769 0.1769 0.2458 0.2458 0.2889 0.2889 0.3503 0.3503 0.9016 0.9016 1.0932 1.0932 3.8688 3.8688 3.8933 3.8933 5.1274 5.1274 5.9261 5.9261 6.9973 6.9973 7.0592 7.0592 10.7499 10.7499 10.7805 10.7805 12.1787 12.1787 12.5385 12.5385 k = 0.3333 0.5774 0.3042 ( 3966 PWs) bands (ev): -32.2902 -32.2902 -13.5800 -13.5800 -13.2102 -13.2102 -13.1982 -13.1982 -1.9001 -1.9001 -1.8273 -1.8273 -0.5226 -0.5226 -0.4461 -0.4461 -0.3562 -0.3562 -0.0610 -0.0610 0.1769 0.1769 0.2461 0.2461 0.2892 0.2892 0.3496 0.3496 0.9024 0.9024 1.0939 1.0939 3.8711 3.8711 3.8911 3.8911 5.1233 5.1233 5.9228 5.9228 7.0206 7.0206 7.0357 7.0357 10.7640 10.7640 10.7684 10.7684 12.1776 12.1776 12.5500 12.5502 k = 0.3333 0.5774 0.3042 ( 3966 PWs) bands (ev): -32.2902 -32.2902 -13.5800 -13.5800 -13.2102 -13.2102 -13.1982 -13.1982 -1.9001 -1.9001 -1.8273 -1.8273 -0.5226 -0.5226 -0.4461 -0.4461 -0.3562 -0.3562 -0.0610 -0.0610 0.1769 0.1769 0.2461 0.2461 0.2892 0.2892 0.3496 0.3496 0.9024 0.9024 1.0939 1.0939 3.8711 3.8711 3.8911 3.8911 5.1233 5.1233 5.9228 5.9228 7.0206 7.0206 7.0357 7.0357 10.7640 10.7640 10.7684 10.7684 12.1776 12.1776 12.5500 12.5522 k = 0.3265 0.5656 0.3042 ( 3954 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2102 -13.2102 -13.1980 -13.1980 -1.9002 -1.9002 -1.8275 -1.8275 -0.5225 -0.5225 -0.4462 -0.4462 -0.3559 -0.3559 -0.0612 -0.0612 0.1769 0.1769 0.2458 0.2458 0.2889 0.2889 0.3503 0.3503 0.9014 0.9014 1.0932 1.0932 3.8692 3.8692 3.8933 3.8933 5.1275 5.1275 5.9262 5.9262 6.9969 6.9969 7.0594 7.0594 10.7520 10.7520 10.7783 10.7783 12.1785 12.1785 12.5431 12.5433 k = 0.3197 0.5538 0.3042 ( 3950 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2103 -13.2103 -13.1978 -13.1978 -1.9006 -1.9006 -1.8282 -1.8282 -0.5225 -0.5225 -0.4469 -0.4469 -0.3554 -0.3554 -0.0618 -0.0618 0.1769 0.1769 0.2447 0.2447 0.2881 0.2881 0.3521 0.3521 0.8980 0.8980 1.0909 1.0909 3.8656 3.8656 3.8983 3.8983 5.1399 5.1399 5.9363 5.9363 6.9676 6.9676 7.0888 7.0888 10.7383 10.7383 10.7856 10.7856 12.1801 12.1801 12.5309 12.5310 k = 0.3129 0.5420 0.3042 ( 3954 PWs) bands (ev): -32.2903 -32.2903 -13.5798 -13.5798 -13.2105 -13.2105 -13.1975 -13.1975 -1.9013 -1.9013 -1.8295 -1.8295 -0.5225 -0.5225 -0.4480 -0.4480 -0.3547 -0.3547 -0.0631 -0.0631 0.1767 0.1767 0.2430 0.2430 0.2868 0.2868 0.3546 0.3546 0.8918 0.8918 1.0871 1.0871 3.8629 3.8629 3.9049 3.9049 5.1599 5.1599 5.9527 5.9527 6.9385 6.9385 7.1176 7.1176 10.7249 10.7249 10.7889 10.7889 12.1793 12.1793 12.5208 12.5209 k = 0.3061 0.5302 0.3042 ( 3954 PWs) bands (ev): -32.2903 -32.2903 -13.5798 -13.5798 -13.2107 -13.2107 -13.1970 -13.1970 -1.9022 -1.9022 -1.8312 -1.8312 -0.5224 -0.5224 -0.4496 -0.4496 -0.3538 -0.3538 -0.0650 -0.0650 0.1766 0.1766 0.2408 0.2408 0.2854 0.2854 0.3576 0.3576 0.8827 0.8827 1.0822 1.0822 3.8623 3.8623 3.9131 3.9131 5.1870 5.1870 5.9753 5.9753 6.9100 6.9100 7.1451 7.1451 10.7118 10.7118 10.7888 10.7888 12.1725 12.1725 12.5162 12.5164 k = 0.2993 0.5184 0.3042 ( 3958 PWs) bands (ev): -32.2903 -32.2903 -13.5797 -13.5797 -13.2110 -13.2110 -13.1965 -13.1965 -1.9035 -1.9035 -1.8334 -1.8334 -0.5225 -0.5225 -0.4516 -0.4516 -0.3528 -0.3528 -0.0675 -0.0675 0.1765 0.1765 0.2382 0.2382 0.2840 0.2840 0.3609 0.3609 0.8703 0.8703 1.0759 1.0759 3.8648 3.8648 3.9232 3.9232 5.2207 5.2207 6.0036 6.0036 6.8823 6.8823 7.1711 7.1711 10.6991 10.6991 10.7859 10.7859 12.1568 12.1568 12.5060 12.5060 k = 0.2925 0.5067 0.3042 ( 3952 PWs) bands (ev): -32.2903 -32.2903 -13.5795 -13.5795 -13.2112 -13.2112 -13.1958 -13.1958 -1.9051 -1.9051 -1.8362 -1.8362 -0.5224 -0.5224 -0.4539 -0.4539 -0.3516 -0.3516 -0.0708 -0.0708 0.1765 0.1765 0.2352 0.2352 0.2827 0.2827 0.3643 0.3643 0.8548 0.8548 1.0686 1.0686 3.8712 3.8712 3.9356 3.9356 5.2602 5.2602 6.0372 6.0372 6.8554 6.8554 7.1951 7.1951 10.6869 10.6869 10.7811 10.7811 12.1319 12.1319 12.4912 12.4912 k = 0.2857 0.4949 0.3042 ( 3956 PWs) bands (ev): -32.2904 -32.2904 -13.5794 -13.5794 -13.2115 -13.2115 -13.1951 -13.1951 -1.9071 -1.9071 -1.8396 -1.8396 -0.5225 -0.5225 -0.4566 -0.4566 -0.3505 -0.3505 -0.0749 -0.0749 0.1765 0.1765 0.2319 0.2319 0.2816 0.2816 0.3675 0.3675 0.8363 0.8363 1.0598 1.0598 3.8819 3.8819 3.9506 3.9506 5.3050 5.3050 6.0757 6.0757 6.8295 6.8295 7.2170 7.2170 10.6753 10.6753 10.7753 10.7753 12.0997 12.0997 12.4766 12.4766 k = 0.2789 0.4831 0.3042 ( 3946 PWs) bands (ev): -32.2904 -32.2904 -13.5792 -13.5792 -13.2117 -13.2117 -13.1944 -13.1944 -1.9094 -1.9094 -1.8434 -1.8434 -0.5225 -0.5225 -0.4595 -0.4595 -0.3495 -0.3495 -0.0797 -0.0797 0.1767 0.1767 0.2285 0.2285 0.2808 0.2808 0.3706 0.3706 0.8151 0.8151 1.0498 1.0498 3.8977 3.8977 3.9683 3.9683 5.3547 5.3547 6.1187 6.1187 6.8046 6.8046 7.2364 7.2364 10.6644 10.6644 10.7691 10.7691 12.0626 12.0626 12.4623 12.4623 k = 0.2721 0.4713 0.3042 ( 3946 PWs) bands (ev): -32.2904 -32.2904 -13.5789 -13.5789 -13.2119 -13.2119 -13.1936 -13.1936 -1.9122 -1.9122 -1.8479 -1.8479 -0.5227 -0.5227 -0.4627 -0.4627 -0.3487 -0.3487 -0.0855 -0.0855 0.1768 0.1768 0.2249 0.2249 0.2802 0.2802 0.3731 0.3731 0.7916 0.7916 1.0383 1.0383 3.9190 3.9190 3.9889 3.9889 5.4088 5.4088 6.1657 6.1657 6.7808 6.7808 7.2532 7.2532 10.6545 10.6545 10.7632 10.7632 12.0230 12.0230 12.4471 12.4471 k = 0.2653 0.4595 0.3042 ( 3956 PWs) bands (ev): -32.2905 -32.2905 -13.5787 -13.5787 -13.2121 -13.2121 -13.1928 -13.1928 -1.9153 -1.9153 -1.8529 -1.8529 -0.5230 -0.5230 -0.4662 -0.4662 -0.3483 -0.3483 -0.0921 -0.0921 0.1767 0.1767 0.2214 0.2214 0.2799 0.2799 0.3752 0.3752 0.7662 0.7662 1.0251 1.0251 3.9461 3.9461 4.0124 4.0124 5.4667 5.4667 6.2164 6.2164 6.7583 6.7583 7.2672 7.2672 10.6457 10.6457 10.7581 10.7581 11.9827 11.9827 12.4280 12.4280 k = 0.2585 0.4477 0.3042 ( 3956 PWs) bands (ev): -32.2905 -32.2905 -13.5784 -13.5784 -13.2122 -13.2122 -13.1919 -13.1919 -1.9189 -1.9189 -1.8585 -1.8585 -0.5234 -0.5234 -0.4699 -0.4699 -0.3481 -0.3481 -0.0996 -0.0996 0.1763 0.1763 0.2183 0.2183 0.2799 0.2799 0.3768 0.3768 0.7396 0.7396 1.0102 1.0102 3.9792 3.9792 4.0387 4.0387 5.5283 5.5283 6.2703 6.2703 6.7372 6.7372 7.2783 7.2783 10.6382 10.6382 10.7542 10.7542 11.9429 11.9429 12.4015 12.4015 k = 0.2517 0.4360 0.3042 ( 3964 PWs) bands (ev): -32.2906 -32.2906 -13.5781 -13.5781 -13.2123 -13.2123 -13.1910 -13.1910 -1.9229 -1.9229 -1.8647 -1.8647 -0.5238 -0.5238 -0.4736 -0.4736 -0.3485 -0.3485 -0.1079 -0.1079 0.1755 0.1755 0.2156 0.2156 0.2800 0.2800 0.3777 0.3777 0.7123 0.7123 0.9936 0.9936 4.0184 4.0184 4.0678 4.0678 5.5931 5.5931 6.3271 6.3271 6.7176 6.7176 7.2863 7.2863 10.6322 10.6322 10.7518 10.7518 11.9045 11.9045 12.3655 12.3655 k = 0.2449 0.4242 0.3042 ( 3964 PWs) bands (ev): -32.2907 -32.2907 -13.5778 -13.5778 -13.2123 -13.2123 -13.1901 -13.1901 -1.9274 -1.9274 -1.8714 -1.8714 -0.5244 -0.5244 -0.4775 -0.4775 -0.3494 -0.3494 -0.1169 -0.1169 0.1739 0.1739 0.2139 0.2139 0.2802 0.2802 0.3780 0.3780 0.6849 0.6849 0.9753 0.9753 4.0635 4.0635 4.0997 4.0997 5.6608 5.6608 6.3862 6.3862 6.6997 6.6997 7.2914 7.2914 10.6280 10.6280 10.7510 10.7510 11.8681 11.8681 12.3215 12.3215 k = 0.2381 0.4124 0.3042 ( 3964 PWs) bands (ev): -32.2908 -32.2908 -13.5774 -13.5774 -13.2122 -13.2122 -13.1892 -13.1892 -1.9324 -1.9324 -1.8788 -1.8788 -0.5251 -0.5251 -0.4814 -0.4814 -0.3509 -0.3509 -0.1267 -0.1267 0.1714 0.1714 0.2131 0.2131 0.2804 0.2804 0.3775 0.3775 0.6581 0.6581 0.9555 0.9555 4.1134 4.1134 4.1353 4.1353 5.7311 5.7311 6.4474 6.4474 6.6838 6.6838 7.2934 7.2934 10.6257 10.6257 10.7519 10.7519 11.8343 11.8343 12.2720 12.2720 k = 0.2313 0.4006 0.3042 ( 3952 PWs) bands (ev): -32.2908 -32.2908 -13.5770 -13.5770 -13.2121 -13.2121 -13.1882 -13.1882 -1.9378 -1.9378 -1.8866 -1.8866 -0.5258 -0.5258 -0.4853 -0.4853 -0.3530 -0.3530 -0.1370 -0.1370 0.1681 0.1681 0.2132 0.2132 0.2805 0.2805 0.3763 0.3763 0.6324 0.6324 0.9344 0.9344 4.1608 4.1608 4.1816 4.1816 5.8039 5.8039 6.5100 6.5100 6.6700 6.6700 7.2925 7.2925 10.6256 10.6256 10.7546 10.7546 11.8030 11.8030 12.2188 12.2188 k = 0.2245 0.3888 0.3042 ( 3946 PWs) bands (ev): -32.2909 -32.2909 -13.5765 -13.5765 -13.2120 -13.2120 -13.1872 -13.1872 -1.9437 -1.9437 -1.8950 -1.8950 -0.5268 -0.5268 -0.4892 -0.4892 -0.3560 -0.3560 -0.1479 -0.1479 0.1639 0.1639 0.2141 0.2141 0.2802 0.2802 0.3744 0.3744 0.6084 0.6084 0.9120 0.9120 4.2006 4.2006 4.2431 4.2431 5.8788 5.8788 6.5731 6.5731 6.6591 6.6591 7.2888 7.2888 10.6278 10.6278 10.7590 10.7590 11.7742 11.7742 12.1631 12.1631 k = 0.2177 0.3770 0.3042 ( 3946 PWs) bands (ev): -32.2910 -32.2910 -13.5760 -13.5760 -13.2118 -13.2118 -13.1862 -13.1862 -1.9501 -1.9501 -1.9040 -1.9040 -0.5279 -0.5279 -0.4931 -0.4931 -0.3598 -0.3598 -0.1593 -0.1593 0.1591 0.1591 0.2155 0.2155 0.2792 0.2792 0.3719 0.3719 0.5865 0.5865 0.8884 0.8884 4.2393 4.2393 4.3128 4.3128 5.9557 5.9557 6.6291 6.6291 6.6587 6.6587 7.2825 7.2825 10.6326 10.6326 10.7649 10.7649 11.7475 11.7475 12.1056 12.1056 k = 0.2109 0.3653 0.3042 ( 3950 PWs) bands (ev): -32.2911 -32.2911 -13.5755 -13.5755 -13.2116 -13.2116 -13.1852 -13.1852 -1.9571 -1.9571 -1.9135 -1.9135 -0.5292 -0.5292 -0.4970 -0.4970 -0.3646 -0.3646 -0.1711 -0.1711 0.1539 0.1539 0.2171 0.2171 0.2772 0.2772 0.3692 0.3692 0.5671 0.5671 0.8640 0.8640 4.2781 4.2781 4.3888 4.3888 6.0343 6.0343 6.6370 6.6370 6.7095 6.7095 7.2738 7.2738 10.6401 10.6401 10.7725 10.7725 11.7222 11.7222 12.0466 12.0466 k = 0.2041 0.3535 0.3042 ( 3954 PWs) bands (ev): -32.2912 -32.2912 -13.5750 -13.5750 -13.2114 -13.2114 -13.1841 -13.1841 -1.9645 -1.9645 -1.9234 -1.9234 -0.5308 -0.5308 -0.5007 -0.5007 -0.3703 -0.3703 -0.1831 -0.1831 0.1482 0.1482 0.2189 0.2189 0.2739 0.2739 0.3666 0.3666 0.5504 0.5504 0.8391 0.8391 4.3171 4.3171 4.4705 4.4705 6.1144 6.1144 6.6344 6.6344 6.7736 6.7736 7.2630 7.2630 10.6505 10.6505 10.7815 10.7815 11.6974 11.6974 11.9864 11.9864 k = 0.1973 0.3417 0.3042 ( 3958 PWs) bands (ev): -32.2913 -32.2913 -13.5745 -13.5745 -13.2111 -13.2111 -13.1831 -13.1831 -1.9725 -1.9725 -1.9339 -1.9339 -0.5325 -0.5325 -0.5043 -0.5043 -0.3771 -0.3771 -0.1951 -0.1951 0.1424 0.1424 0.2204 0.2204 0.2692 0.2692 0.3648 0.3648 0.5362 0.5362 0.8137 0.8137 4.3559 4.3559 4.5575 4.5575 6.1959 6.1959 6.6341 6.6341 6.8382 6.8382 7.2505 7.2505 10.6640 10.6640 10.7921 10.7921 11.6722 11.6722 11.9253 11.9253 k = 0.1905 0.3299 0.3042 ( 3962 PWs) bands (ev): -32.2914 -32.2914 -13.5740 -13.5740 -13.2108 -13.2108 -13.1820 -13.1820 -1.9811 -1.9811 -1.9448 -1.9448 -0.5345 -0.5345 -0.5077 -0.5077 -0.3849 -0.3849 -0.2071 -0.2071 0.1363 0.1363 0.2213 0.2213 0.2635 0.2635 0.3640 0.3640 0.5245 0.5245 0.7882 0.7882 4.3941 4.3941 4.6497 4.6497 6.2784 6.2784 6.6370 6.6370 6.9018 6.9018 7.2367 7.2367 10.6805 10.6805 10.8041 10.8041 11.6455 11.6455 11.8635 11.8635 k = 0.1837 0.3181 0.3042 ( 3958 PWs) bands (ev): -32.2915 -32.2915 -13.5734 -13.5734 -13.2105 -13.2105 -13.1809 -13.1809 -1.9901 -1.9901 -1.9561 -1.9561 -0.5366 -0.5366 -0.5108 -0.5108 -0.3936 -0.3936 -0.2190 -0.2190 0.1301 0.1301 0.2210 0.2210 0.2575 0.2575 0.3646 0.3646 0.5150 0.5150 0.7628 0.7628 4.4313 4.4313 4.7466 4.7466 6.3617 6.3617 6.6437 6.6437 6.9634 6.9634 7.2226 7.2226 10.7002 10.7002 10.8176 10.8176 11.6167 11.6167 11.8010 11.8010 k = 0.1769 0.3063 0.3042 ( 3962 PWs) bands (ev): -32.2916 -32.2916 -13.5728 -13.5728 -13.2102 -13.2102 -13.1797 -13.1797 -1.9996 -1.9996 -1.9678 -1.9678 -0.5391 -0.5391 -0.5137 -0.5137 -0.4033 -0.4033 -0.2305 -0.2305 0.1238 0.1238 0.2186 0.2186 0.2524 0.2524 0.3664 0.3664 0.5071 0.5071 0.7377 0.7377 4.4672 4.4672 4.8480 4.8480 6.4453 6.4453 6.6547 6.6547 7.0210 7.0210 7.2099 7.2099 10.7231 10.7231 10.8326 10.8326 11.5856 11.5856 11.7380 11.7380 k = 0.1701 0.2946 0.3042 ( 3958 PWs) bands (ev): -32.2917 -32.2917 -13.5722 -13.5722 -13.2098 -13.2098 -13.1786 -13.1786 -2.0096 -2.0096 -1.9798 -1.9798 -0.5417 -0.5417 -0.5163 -0.5163 -0.4138 -0.4138 -0.2417 -0.2417 0.1174 0.1174 0.2139 0.2139 0.2490 0.2490 0.3693 0.3693 0.5006 0.5006 0.7131 0.7131 4.5013 4.5013 4.9536 4.9536 6.5284 6.5284 6.6709 6.6709 7.0701 7.0701 7.2031 7.2031 10.7493 10.7493 10.8487 10.8487 11.5525 11.5525 11.6747 11.6747 k = 0.1633 0.2828 0.3042 ( 3958 PWs) bands (ev): -32.2918 -32.2918 -13.5716 -13.5716 -13.2094 -13.2094 -13.1774 -13.1774 -2.0200 -2.0200 -1.9920 -1.9920 -0.5446 -0.5446 -0.5187 -0.5187 -0.4250 -0.4250 -0.2525 -0.2525 0.1109 0.1109 0.2071 0.2071 0.2473 0.2473 0.3731 0.3731 0.4951 0.4951 0.6891 0.6891 4.5334 4.5334 5.0630 5.0630 6.6083 6.6083 6.6951 6.6951 7.0995 7.0995 7.2133 7.2133 10.7786 10.7786 10.8655 10.8655 11.5186 11.5186 11.6113 11.6113 k = 0.1565 0.2710 0.3042 ( 3962 PWs) bands (ev): -32.2920 -32.2920 -13.5710 -13.5710 -13.2090 -13.2090 -13.1763 -13.1763 -2.0307 -2.0307 -2.0045 -2.0045 -0.5478 -0.5478 -0.5208 -0.5208 -0.4367 -0.4367 -0.2629 -0.2629 0.1045 0.1045 0.1992 0.1992 0.2465 0.2465 0.3776 0.3776 0.4903 0.4903 0.6661 0.6661 4.5631 4.5631 5.1761 5.1761 6.6748 6.6748 6.7373 6.7373 7.1028 7.1028 7.2469 7.2469 10.8109 10.8109 10.8821 10.8821 11.4853 11.4853 11.5481 11.5481 k = 0.1497 0.2592 0.3042 ( 3954 PWs) bands (ev): -32.2921 -32.2921 -13.5704 -13.5704 -13.2086 -13.2086 -13.1751 -13.1751 -2.0419 -2.0419 -2.0172 -2.0172 -0.5510 -0.5510 -0.5228 -0.5228 -0.4485 -0.4485 -0.2729 -0.2729 0.0981 0.0981 0.1913 0.1913 0.2460 0.2460 0.3828 0.3828 0.4860 0.4860 0.6442 0.6442 4.5903 4.5903 5.2924 5.2924 6.7184 6.7184 6.8068 6.8068 7.0919 7.0919 7.2919 7.2919 10.8462 10.8462 10.8968 10.8968 11.4533 11.4533 11.4873 11.4873 k = 0.1429 0.2474 0.3042 ( 3958 PWs) bands (ev): -32.2922 -32.2922 -13.5698 -13.5698 -13.2083 -13.2083 -13.1739 -13.1739 -2.0532 -2.0532 -2.0299 -2.0299 -0.5544 -0.5544 -0.5247 -0.5247 -0.4605 -0.4605 -0.2825 -0.2825 0.0917 0.0917 0.1836 0.1836 0.2454 0.2454 0.3884 0.3884 0.4819 0.4819 0.6235 0.6235 4.6148 4.6148 5.4116 5.4116 6.7551 6.7551 6.8876 6.8876 7.0761 7.0761 7.3393 7.3393 10.8841 10.8841 10.9075 10.9075 11.4111 11.4111 11.4436 11.4436 k = 0.1361 0.2357 0.3042 ( 3958 PWs) bands (ev): -32.2923 -32.2923 -13.5692 -13.5692 -13.2079 -13.2079 -13.1727 -13.1727 -2.0648 -2.0648 -2.0428 -2.0428 -0.5579 -0.5579 -0.5268 -0.5268 -0.4722 -0.4722 -0.2917 -0.2917 0.0856 0.0856 0.1764 0.1764 0.2444 0.2444 0.3944 0.3944 0.4780 0.4780 0.6044 0.6044 4.6365 4.6365 5.5333 5.5333 6.7932 6.7932 6.9708 6.9708 7.0588 7.0588 7.3858 7.3858 10.9108 10.9108 10.9246 10.9246 11.3520 11.3520 11.4277 11.4277 k = 0.1293 0.2239 0.3042 ( 3950 PWs) bands (ev): -32.2924 -32.2924 -13.5686 -13.5686 -13.2075 -13.2075 -13.1715 -13.1715 -2.0765 -2.0765 -2.0556 -2.0556 -0.5614 -0.5614 -0.5292 -0.5292 -0.4830 -0.4830 -0.3005 -0.3005 0.0797 0.0797 0.1699 0.1699 0.2429 0.2429 0.4007 0.4007 0.4742 0.4742 0.5869 0.5869 4.6553 4.6553 5.6569 5.6569 6.8346 6.8346 7.0411 7.0411 7.0548 7.0548 7.4301 7.4301 10.9046 10.9046 10.9659 10.9659 11.2912 11.2912 11.4282 11.4282 k = 0.1224 0.2121 0.3042 ( 3954 PWs) bands (ev): -32.2925 -32.2925 -13.5681 -13.5681 -13.2071 -13.2071 -13.1703 -13.1703 -2.0883 -2.0883 -2.0684 -2.0684 -0.5650 -0.5650 -0.5325 -0.5325 -0.4924 -0.4924 -0.3091 -0.3091 0.0741 0.0741 0.1639 0.1639 0.2408 0.2408 0.4071 0.4071 0.4701 0.4701 0.5711 0.5711 4.6714 4.6714 5.7819 5.7819 6.8796 6.8796 7.0251 7.0251 7.1373 7.1373 7.4716 7.4716 10.8867 10.8867 11.0065 11.0065 11.2330 11.2330 11.4447 11.4447 k = 0.1156 0.2003 0.3042 ( 3958 PWs) bands (ev): -32.2927 -32.2927 -13.5675 -13.5675 -13.2068 -13.2068 -13.1692 -13.1692 -2.1000 -2.1000 -2.0810 -2.0810 -0.5686 -0.5686 -0.5373 -0.5373 -0.4998 -0.4998 -0.3174 -0.3174 0.0688 0.0688 0.1585 0.1585 0.2379 0.2379 0.4136 0.4136 0.4660 0.4660 0.5572 0.5572 4.6848 4.6848 5.9074 5.9074 6.9280 6.9280 7.0110 7.0110 7.2189 7.2189 7.5102 7.5102 10.8574 10.8574 11.0396 11.0396 11.1845 11.1845 11.4763 11.4763 k = 0.1088 0.1885 0.3042 ( 3964 PWs) bands (ev): -32.2928 -32.2928 -13.5670 -13.5670 -13.2065 -13.2065 -13.1680 -13.1680 -2.1116 -2.1116 -2.0934 -2.0934 -0.5722 -0.5722 -0.5437 -0.5437 -0.5048 -0.5048 -0.3254 -0.3254 0.0640 0.0640 0.1537 0.1537 0.2344 0.2344 0.4200 0.4200 0.4617 0.4617 0.5452 0.5452 4.6957 4.6957 6.0324 6.0324 6.9779 6.9779 7.0016 7.0016 7.2989 7.2989 7.5458 7.5458 10.8179 10.8179 11.0423 11.0423 11.1680 11.1680 11.5213 11.5213 k = 0.1020 0.1767 0.3042 ( 3964 PWs) bands (ev): -32.2929 -32.2929 -13.5665 -13.5665 -13.2062 -13.2062 -13.1669 -13.1669 -2.1230 -2.1230 -2.1056 -2.1056 -0.5757 -0.5757 -0.5512 -0.5512 -0.5076 -0.5076 -0.3331 -0.3331 0.0596 0.0596 0.1493 0.1493 0.2302 0.2302 0.4263 0.4263 0.4574 0.4574 0.5350 0.5350 4.7043 4.7043 6.1551 6.1551 6.9905 6.9905 7.0370 7.0370 7.3768 7.3768 7.5783 7.5783 10.7699 10.7699 11.0043 11.0043 11.1935 11.1935 11.5771 11.5771 k = 0.0952 0.1650 0.3042 ( 3972 PWs) bands (ev): -32.2930 -32.2930 -13.5660 -13.5660 -13.2059 -13.2059 -13.1658 -13.1658 -2.1341 -2.1341 -2.1174 -2.1174 -0.5792 -0.5792 -0.5594 -0.5594 -0.5089 -0.5089 -0.3406 -0.3406 0.0556 0.0556 0.1454 0.1454 0.2254 0.2254 0.4320 0.4320 0.4534 0.4534 0.5265 0.5265 4.7108 4.7108 6.2731 6.2731 6.9911 6.9911 7.0937 7.0937 7.4519 7.4519 7.6080 7.6080 10.7145 10.7145 10.9516 10.9516 11.2342 11.2342 11.6412 11.6412 k = 0.0884 0.1532 0.3042 ( 3972 PWs) bands (ev): -32.2931 -32.2931 -13.5656 -13.5656 -13.2056 -13.2056 -13.1647 -13.1647 -2.1448 -2.1448 -2.1289 -2.1289 -0.5827 -0.5827 -0.5674 -0.5674 -0.5092 -0.5092 -0.3478 -0.3478 0.0521 0.0521 0.1418 0.1418 0.2201 0.2201 0.4365 0.4365 0.4506 0.4506 0.5196 0.5196 4.7155 4.7155 6.3824 6.3824 7.0015 7.0015 7.1529 7.1529 7.5236 7.5236 7.6352 7.6352 10.6525 10.6525 10.8960 10.8960 11.2777 11.2777 11.7098 11.7098 k = 0.0816 0.1414 0.3042 ( 3960 PWs) bands (ev): -32.2932 -32.2932 -13.5651 -13.5651 -13.2053 -13.2053 -13.1637 -13.1637 -2.1550 -2.1550 -2.1398 -2.1398 -0.5864 -0.5864 -0.5748 -0.5748 -0.5086 -0.5086 -0.3546 -0.3546 0.0492 0.0492 0.1386 0.1386 0.2145 0.2145 0.4380 0.4380 0.4511 0.4511 0.5139 0.5139 4.7187 4.7187 6.4776 6.4776 7.0273 7.0273 7.2136 7.2136 7.5906 7.5906 7.6609 7.6609 10.5844 10.5844 10.8406 10.8406 11.3195 11.3195 11.7742 11.7742 k = 0.0748 0.1296 0.3042 ( 3960 PWs) bands (ev): -32.2932 -32.2932 -13.5647 -13.5647 -13.2051 -13.2051 -13.1627 -13.1627 -2.1647 -2.1647 -2.1503 -2.1503 -0.5907 -0.5907 -0.5810 -0.5810 -0.5077 -0.5077 -0.3612 -0.3612 0.0466 0.0466 0.1356 0.1356 0.2085 0.2085 0.4361 0.4361 0.4548 0.4548 0.5092 0.5092 4.7205 4.7205 6.5526 6.5526 7.0740 7.0740 7.2751 7.2751 7.6485 7.6485 7.6892 7.6892 10.5104 10.5104 10.7867 10.7867 11.3569 11.3569 11.8021 11.8021 k = 0.0680 0.1178 0.3042 ( 3960 PWs) bands (ev): -32.2933 -32.2933 -13.5643 -13.5643 -13.2048 -13.2048 -13.1618 -13.1618 -2.1738 -2.1738 -2.1601 -2.1601 -0.5957 -0.5957 -0.5858 -0.5858 -0.5064 -0.5064 -0.3676 -0.3676 0.0445 0.0445 0.1327 0.1327 0.2025 0.2025 0.4334 0.4334 0.4596 0.4596 0.5053 0.5053 4.7212 4.7212 6.6046 6.6046 7.1438 7.1438 7.3367 7.3367 7.6853 7.6853 7.7319 7.7319 10.4309 10.4309 10.7352 10.7352 11.3879 11.3879 11.7624 11.7624 k = 0.0612 0.1060 0.3042 ( 3960 PWs) bands (ev): -32.2934 -32.2934 -13.5640 -13.5640 -13.2046 -13.2046 -13.1610 -13.1610 -2.1822 -2.1822 -2.1692 -2.1692 -0.6011 -0.6011 -0.5893 -0.5893 -0.5048 -0.5048 -0.3736 -0.3736 0.0428 0.0428 0.1300 0.1300 0.1967 0.1967 0.4306 0.4306 0.4644 0.4644 0.5022 0.5022 4.7212 4.7212 6.6364 6.6364 7.2328 7.2328 7.3977 7.3977 7.7069 7.7069 7.7828 7.7828 10.3462 10.3462 10.6866 10.6866 11.4106 11.4106 11.6985 11.6985 k = 0.0544 0.0943 0.3042 ( 3968 PWs) bands (ev): -32.2935 -32.2935 -13.5637 -13.5637 -13.2045 -13.2045 -13.1602 -13.1602 -2.1898 -2.1898 -2.1775 -2.1775 -0.6065 -0.6065 -0.5921 -0.5921 -0.5031 -0.5031 -0.3793 -0.3793 0.0415 0.0415 0.1274 0.1274 0.1911 0.1911 0.4282 0.4282 0.4687 0.4687 0.4994 0.4994 4.7205 4.7205 6.6539 6.6539 7.3335 7.3335 7.4574 7.4574 7.7243 7.7243 7.8311 7.8311 10.2574 10.2574 10.6415 10.6415 11.4242 11.4242 11.6344 11.6344 k = 0.0476 0.0825 0.3042 ( 3964 PWs) bands (ev): -32.2935 -32.2935 -13.5634 -13.5634 -13.2043 -13.2043 -13.1595 -13.1595 -2.1967 -2.1967 -2.1851 -2.1851 -0.6113 -0.6113 -0.5943 -0.5943 -0.5011 -0.5011 -0.3846 -0.3846 0.0405 0.0405 0.1250 0.1250 0.1859 0.1859 0.4261 0.4261 0.4729 0.4729 0.4973 0.4973 4.7194 4.7194 6.6625 6.6625 7.4375 7.4375 7.5154 7.5154 7.7407 7.7407 7.8743 7.8743 10.1658 10.1658 10.6005 10.6005 11.4286 11.4286 11.5760 11.5760 k = 0.0408 0.0707 0.3042 ( 3960 PWs) bands (ev): -32.2936 -32.2936 -13.5631 -13.5631 -13.2042 -13.2042 -13.1589 -13.1589 -2.2027 -2.2027 -2.1918 -2.1918 -0.6156 -0.6156 -0.5962 -0.5962 -0.4991 -0.4991 -0.3894 -0.3894 0.0399 0.0399 0.1226 0.1226 0.1814 0.1814 0.4244 0.4244 0.4766 0.4766 0.4955 0.4955 4.7181 4.7181 6.6661 6.6661 7.5343 7.5343 7.5734 7.5734 7.7592 7.7592 7.9116 7.9116 10.0735 10.0735 10.5641 10.5641 11.4252 11.4252 11.5255 11.5255 k = 0.0340 0.0589 0.3042 ( 3956 PWs) bands (ev): -32.2936 -32.2936 -13.5629 -13.5629 -13.2040 -13.2040 -13.1583 -13.1583 -2.2078 -2.2078 -2.1975 -2.1975 -0.6192 -0.6192 -0.5977 -0.5977 -0.4972 -0.4972 -0.3937 -0.3937 0.0395 0.0395 0.1205 0.1205 0.1775 0.1775 0.4231 0.4231 0.4797 0.4797 0.4941 0.4941 4.7167 4.7167 6.6668 6.6668 7.6040 7.6040 7.6389 7.6389 7.7864 7.7864 7.9426 7.9426 9.9833 9.9833 10.5325 10.5325 11.4155 11.4155 11.4842 11.4842 k = 0.0272 0.0471 0.3042 ( 3952 PWs) bands (ev): -32.2937 -32.2937 -13.5627 -13.5627 -13.2039 -13.2039 -13.1579 -13.1579 -2.2121 -2.2121 -2.2023 -2.2023 -0.6222 -0.6222 -0.5990 -0.5990 -0.4955 -0.4955 -0.3973 -0.3973 0.0392 0.0392 0.1186 0.1186 0.1742 0.1742 0.4220 0.4220 0.4823 0.4823 0.4930 0.4930 4.7154 4.7154 6.6663 6.6663 7.6506 7.6506 7.6920 7.6920 7.8325 7.8325 7.9676 7.9676 9.8990 9.8990 10.5063 10.5063 11.4016 11.4016 11.4525 11.4525 k = 0.0204 0.0353 0.3042 ( 3936 PWs) bands (ev): -32.2937 -32.2937 -13.5626 -13.5626 -13.2038 -13.2038 -13.1575 -13.1575 -2.2154 -2.2154 -2.2061 -2.2061 -0.6244 -0.6244 -0.5999 -0.5999 -0.4939 -0.4939 -0.4002 -0.4002 0.0393 0.0393 0.1170 0.1170 0.1718 0.1718 0.4212 0.4212 0.4843 0.4843 0.4923 0.4923 4.7143 4.7143 6.6652 6.6652 7.6860 7.6860 7.7197 7.7197 7.8918 7.8918 7.9877 7.9877 9.8250 9.8250 10.4857 10.4857 11.3861 11.3861 11.4302 11.4302 k = 0.0136 0.0236 0.3042 ( 3932 PWs) bands (ev): -32.2937 -32.2937 -13.5625 -13.5625 -13.2038 -13.2038 -13.1572 -13.1572 -2.2177 -2.2177 -2.2088 -2.2088 -0.6260 -0.6260 -0.6006 -0.6006 -0.4928 -0.4928 -0.4025 -0.4025 0.0393 0.0393 0.1158 0.1158 0.1700 0.1700 0.4207 0.4207 0.4857 0.4857 0.4919 0.4919 4.7134 4.7134 6.6641 6.6641 7.7105 7.7105 7.7349 7.7349 7.9426 7.9426 8.0052 8.0052 9.7665 9.7665 10.4708 10.4708 11.3725 11.3725 11.4155 11.4155 k = 0.0068 0.0118 0.3042 ( 3928 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2037 -13.2037 -13.1570 -13.1570 -2.2192 -2.2192 -2.2105 -2.2105 -0.6270 -0.6270 -0.6010 -0.6010 -0.4920 -0.4920 -0.4038 -0.4038 0.0393 0.0393 0.1150 0.1150 0.1689 0.1689 0.4204 0.4204 0.4864 0.4864 0.4917 0.4917 4.7128 4.7128 6.6633 6.6633 7.7231 7.7231 7.7449 7.7449 7.9709 7.9709 8.0218 8.0218 9.7286 9.7286 10.4618 10.4618 11.3634 11.3634 11.4070 11.4070 k = 0.0000 0.0000 0.3042 ( 3952 PWs) bands (ev): -32.2937 -32.2937 -13.5624 -13.5624 -13.2038 -13.2038 -13.1571 -13.1571 -2.2196 -2.2196 -2.2110 -2.2110 -0.6274 -0.6274 -0.6014 -0.6014 -0.4919 -0.4919 -0.4044 -0.4044 0.0392 0.0392 0.1145 0.1145 0.1684 0.1684 0.4201 0.4201 0.4866 0.4866 0.4916 0.4916 4.7127 4.7127 6.6630 6.6630 7.7266 7.7266 7.7489 7.7489 7.9786 7.9786 8.0296 8.0296 9.7155 9.7155 10.4588 10.4588 11.3602 11.3602 11.4042 11.4042 k = 0.5000 0.2887 0.3042 ( 3960 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9192 -1.9192 -1.8799 -1.8799 -0.5028 -0.5028 -0.4922 -0.4922 -0.3214 -0.3214 -0.0707 -0.0707 0.1591 0.1591 0.1621 0.1621 0.2711 0.2711 0.4404 0.4404 0.8178 0.8178 0.8850 0.8850 3.6086 3.6086 3.8545 3.8545 6.2484 6.2484 6.3360 6.3360 7.4070 7.4070 7.5627 7.5627 10.1017 10.1017 10.5842 10.5842 10.6378 10.6378 11.2508 11.2508 k = 0.5000 0.2887 0.2909 ( 3958 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9193 -1.9193 -1.8800 -1.8800 -0.5027 -0.5027 -0.4922 -0.4922 -0.3213 -0.3213 -0.0706 -0.0706 0.1589 0.1589 0.1624 0.1624 0.2712 0.2712 0.4404 0.4404 0.8179 0.8179 0.8850 0.8850 3.6065 3.6065 3.8589 3.8589 6.2456 6.2456 6.3359 6.3359 7.4063 7.4063 7.5578 7.5578 10.0991 10.0991 10.5748 10.5748 10.6545 10.6545 11.2588 11.2588 k = 0.5000 0.2887 0.2777 ( 3958 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9194 -1.9194 -1.8804 -1.8804 -0.5027 -0.5027 -0.4922 -0.4922 -0.3210 -0.3210 -0.0706 -0.0706 0.1584 0.1584 0.1630 0.1630 0.2714 0.2714 0.4405 0.4405 0.8181 0.8181 0.8849 0.8849 3.6008 3.6008 3.8716 3.8716 6.2372 6.2372 6.3357 6.3357 7.4044 7.4044 7.5433 7.5433 10.0923 10.0923 10.5555 10.5555 10.6955 10.6955 11.2818 11.2818 k = 0.5000 0.2887 0.2645 ( 3948 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1848 -13.1848 -1.9196 -1.9196 -1.8811 -1.8811 -0.5027 -0.5027 -0.4920 -0.4920 -0.3205 -0.3205 -0.0705 -0.0705 0.1579 0.1579 0.1639 0.1639 0.2717 0.2717 0.4406 0.4406 0.8185 0.8185 0.8847 0.8847 3.5926 3.5926 3.8916 3.8916 6.2229 6.2229 6.3359 6.3359 7.4012 7.4012 7.5197 7.5197 10.0833 10.0833 10.5325 10.5325 10.7543 10.7543 11.3173 11.3173 k = 0.5000 0.2887 0.2513 ( 3952 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1848 -13.1848 -1.9199 -1.9199 -1.8820 -1.8820 -0.5028 -0.5028 -0.4920 -0.4920 -0.3200 -0.3200 -0.0704 -0.0704 0.1573 0.1573 0.1648 0.1648 0.2721 0.2721 0.4407 0.4407 0.8190 0.8190 0.8844 0.8844 3.5832 3.5832 3.9173 3.9173 6.2029 6.2029 6.3367 6.3367 7.3965 7.3965 7.4875 7.4875 10.0741 10.0741 10.5082 10.5082 10.8281 10.8281 11.3622 11.3622 k = 0.5000 0.2887 0.2380 ( 3952 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9203 -1.9203 -1.8831 -1.8831 -0.5029 -0.5029 -0.4918 -0.4918 -0.3193 -0.3193 -0.0703 -0.0703 0.1569 0.1569 0.1657 0.1657 0.2727 0.2727 0.4408 0.4408 0.8196 0.8196 0.8840 0.8840 3.5735 3.5735 3.9475 3.9475 6.1773 6.1773 6.3384 6.3384 7.3895 7.3895 7.4485 7.4485 10.0656 10.0656 10.4857 10.4857 10.9143 10.9143 11.4136 11.4136 k = 0.5000 0.2887 0.2248 ( 3948 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1848 -13.1848 -1.9208 -1.9208 -1.8844 -1.8844 -0.5030 -0.5030 -0.4916 -0.4916 -0.3184 -0.3184 -0.0702 -0.0702 0.1565 0.1565 0.1667 0.1667 0.2735 0.2735 0.4410 0.4410 0.8203 0.8203 0.8835 0.8835 3.5644 3.5644 3.9815 3.9815 6.1469 6.1469 6.3410 6.3410 7.3747 7.3747 7.4092 7.4092 10.0577 10.0577 10.4679 10.4679 11.0104 11.0104 11.4689 11.4689 k = 0.5000 0.2887 0.2116 ( 3948 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1848 -13.1848 -1.9212 -1.9212 -1.8860 -1.8860 -0.5031 -0.5031 -0.4914 -0.4914 -0.3174 -0.3174 -0.0701 -0.0701 0.1562 0.1562 0.1675 0.1675 0.2743 0.2743 0.4412 0.4412 0.8212 0.8212 0.8829 0.8829 3.5563 3.5563 4.0184 4.0184 6.1124 6.1124 6.3443 6.3443 7.3342 7.3342 7.3883 7.3883 10.0491 10.0491 10.4576 10.4576 11.1142 11.1142 11.5262 11.5262 k = 0.5000 0.2887 0.1984 ( 3948 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1848 -13.1848 -1.9218 -1.9218 -1.8877 -1.8877 -0.5032 -0.5032 -0.4912 -0.4912 -0.3163 -0.3163 -0.0700 -0.0700 0.1560 0.1560 0.1684 0.1684 0.2752 0.2752 0.4414 0.4414 0.8221 0.8221 0.8822 0.8822 3.5495 3.5495 4.0577 4.0577 6.0746 6.0746 6.3484 6.3484 7.2774 7.2774 7.3779 7.3779 10.0386 10.0386 10.4571 10.4571 11.2228 11.2228 11.5847 11.5847 k = 0.5000 0.2887 0.1851 ( 3956 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9223 -1.9223 -1.8896 -1.8896 -0.5033 -0.5033 -0.4910 -0.4910 -0.3152 -0.3152 -0.0698 -0.0698 0.1559 0.1559 0.1691 0.1691 0.2761 0.2761 0.4415 0.4415 0.8231 0.8231 0.8814 0.8814 3.5442 3.5442 4.0989 4.0989 6.0343 6.0343 6.3530 6.3530 7.2145 7.2145 7.3688 7.3688 10.0253 10.0253 10.4677 10.4677 11.3326 11.3326 11.6448 11.6448 k = 0.5000 0.2887 0.1719 ( 3950 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1848 -13.1848 -1.9228 -1.9228 -1.8916 -1.8916 -0.5033 -0.5033 -0.4908 -0.4908 -0.3140 -0.3140 -0.0696 -0.0696 0.1559 0.1559 0.1699 0.1699 0.2772 0.2772 0.4418 0.4418 0.8243 0.8243 0.8805 0.8805 3.5403 3.5403 4.1415 4.1415 5.9924 5.9924 6.3580 6.3580 7.1482 7.1482 7.3598 7.3598 10.0091 10.0091 10.4895 10.4895 11.4374 11.4374 11.7102 11.7102 k = 0.5000 0.2887 0.1587 ( 3960 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9233 -1.9233 -1.8938 -1.8938 -0.5035 -0.5035 -0.4906 -0.4906 -0.3128 -0.3128 -0.0695 -0.0695 0.1559 0.1559 0.1704 0.1704 0.2783 0.2783 0.4419 0.4419 0.8254 0.8254 0.8796 0.8796 3.5379 3.5379 4.1850 4.1850 5.9497 5.9497 6.3633 6.3633 7.0797 7.0797 7.3507 7.3507 9.9904 9.9904 10.5215 10.5215 11.5273 11.5273 11.7884 11.7884 k = 0.5000 0.2887 0.1455 ( 3960 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9237 -1.9237 -1.8960 -1.8960 -0.5036 -0.5036 -0.4904 -0.4904 -0.3116 -0.3116 -0.0694 -0.0694 0.1561 0.1561 0.1710 0.1710 0.2794 0.2794 0.4421 0.4421 0.8266 0.8266 0.8785 0.8785 3.5368 3.5368 4.2290 4.2290 5.9070 5.9070 6.3689 6.3689 7.0104 7.0104 7.3415 7.3415 9.9703 9.9703 10.5624 10.5624 11.5926 11.5926 11.8870 11.8870 k = 0.5000 0.2887 0.1322 ( 3960 PWs) bands (ev): -32.2906 -32.2906 -13.5786 -13.5786 -13.2175 -13.2175 -13.1849 -13.1849 -1.9240 -1.9240 -1.8982 -1.8982 -0.5037 -0.5037 -0.4902 -0.4902 -0.3104 -0.3104 -0.0692 -0.0692 0.1563 0.1563 0.1714 0.1714 0.2806 0.2806 0.4422 0.4422 0.8279 0.8279 0.8774 0.8774 3.5370 3.5370 4.2729 4.2729 5.8651 5.8651 6.3745 6.3745 6.9415 6.9415 7.3324 7.3324 9.9497 9.9497 10.6106 10.6106 11.6324 11.6324 12.0056 12.0056 k = 0.5000 0.2887 0.1190 ( 3972 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2175 -13.2175 -13.1849 -13.1849 -1.9243 -1.9243 -1.9005 -1.9005 -0.5038 -0.5038 -0.4901 -0.4901 -0.3093 -0.3093 -0.0691 -0.0691 0.1565 0.1565 0.1717 0.1717 0.2816 0.2816 0.4423 0.4423 0.8292 0.8292 0.8762 0.8762 3.5382 3.5382 4.3161 4.3161 5.8247 5.8247 6.3801 6.3801 6.8740 6.8740 7.3235 7.3235 9.9294 9.9294 10.6646 10.6646 11.6521 11.6521 12.1378 12.1378 k = 0.5000 0.2887 0.1058 ( 3980 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9244 -1.9244 -1.9028 -1.9028 -0.5039 -0.5039 -0.4899 -0.4899 -0.3082 -0.3082 -0.0690 -0.0690 0.1568 0.1568 0.1720 0.1720 0.2827 0.2827 0.4424 0.4424 0.8305 0.8305 0.8750 0.8750 3.5402 3.5402 4.3581 4.3581 5.7864 5.7864 6.3855 6.3855 6.8090 6.8090 7.3150 7.3150 9.9101 9.9101 10.7231 10.7231 11.6561 11.6561 12.2785 12.2785 k = 0.5000 0.2887 0.0926 ( 3974 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2175 -13.2175 -13.1849 -13.1849 -1.9244 -1.9244 -1.9049 -1.9049 -0.5039 -0.5039 -0.4897 -0.4897 -0.3072 -0.3072 -0.0688 -0.0688 0.1572 0.1572 0.1722 0.1722 0.2837 0.2837 0.4425 0.4425 0.8318 0.8318 0.8739 0.8739 3.5429 3.5429 4.3980 4.3980 5.7510 5.7510 6.3907 6.3907 6.7479 6.7479 7.3070 7.3070 9.8924 9.8924 10.7847 10.7847 11.6476 11.6476 12.4247 12.4247 k = 0.5000 0.2887 0.0793 ( 3978 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9243 -1.9243 -1.9071 -1.9071 -0.5039 -0.5039 -0.4896 -0.4896 -0.3062 -0.3062 -0.0687 -0.0687 0.1575 0.1575 0.1723 0.1723 0.2847 0.2847 0.4426 0.4426 0.8330 0.8330 0.8727 0.8727 3.5458 3.5458 4.4352 4.4352 5.7190 5.7190 6.3955 6.3955 6.6916 6.6916 7.2996 7.2996 9.8765 9.8765 10.8482 10.8482 11.6287 11.6287 12.5742 12.5742 k = 0.5000 0.2887 0.0661 ( 3990 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9240 -1.9240 -1.9091 -1.9091 -0.5040 -0.5040 -0.4895 -0.4895 -0.3055 -0.3055 -0.0686 -0.0686 0.1579 0.1579 0.1723 0.1723 0.2853 0.2853 0.4426 0.4426 0.8341 0.8341 0.8716 0.8716 3.5489 3.5489 4.4687 4.4687 5.6910 5.6910 6.3998 6.3998 6.6413 6.6413 7.2931 7.2931 9.8627 9.8627 10.9122 10.9122 11.6013 11.6013 12.7258 12.7258 k = 0.5000 0.2887 0.0529 ( 3986 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9237 -1.9237 -1.9110 -1.9110 -0.5040 -0.5040 -0.4894 -0.4894 -0.3047 -0.3047 -0.0684 -0.0684 0.1582 0.1582 0.1724 0.1724 0.2861 0.2861 0.4427 0.4427 0.8351 0.8351 0.8707 0.8707 3.5518 3.5518 4.4977 4.4977 5.6675 5.6675 6.4034 6.4034 6.5981 6.5981 7.2876 7.2876 9.8512 9.8512 10.9751 10.9751 11.5677 11.5677 12.8776 12.8776 k = 0.5000 0.2887 0.0397 ( 3974 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9232 -1.9232 -1.9127 -1.9127 -0.5039 -0.5039 -0.4893 -0.4893 -0.3041 -0.3041 -0.0683 -0.0683 0.1586 0.1586 0.1724 0.1724 0.2868 0.2868 0.4428 0.4428 0.8360 0.8360 0.8699 0.8699 3.5543 3.5543 4.5213 4.5213 5.6488 5.6488 6.4064 6.4064 6.5633 6.5633 7.2832 7.2832 9.8422 9.8422 11.0344 11.0344 11.5306 11.5306 12.9991 13.0172 k = 0.5000 0.2887 0.0264 ( 3976 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9226 -1.9226 -1.9141 -1.9141 -0.5040 -0.5040 -0.4892 -0.4892 -0.3037 -0.3037 -0.0682 -0.0682 0.1588 0.1588 0.1725 0.1725 0.2871 0.2871 0.4428 0.4428 0.8366 0.8366 0.8693 0.8693 3.5562 3.5562 4.5389 4.5389 5.6352 5.6352 6.4086 6.4086 6.5375 6.5375 7.2800 7.2800 9.8357 9.8357 11.0862 11.0862 11.4943 11.4943 12.9933 13.0379 k = 0.5000 0.2887 0.0132 ( 3972 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9222 -1.9222 -1.9150 -1.9150 -0.5040 -0.5040 -0.4891 -0.4891 -0.3034 -0.3034 -0.0682 -0.0682 0.1589 0.1589 0.1725 0.1725 0.2874 0.2874 0.4429 0.4429 0.8370 0.8370 0.8690 0.8690 3.5574 3.5574 4.5496 4.5496 5.6270 5.6270 6.4099 6.4099 6.5218 6.5218 7.2780 7.2780 9.8317 9.8317 11.1240 11.1240 11.4658 11.4658 13.0159 13.0335 k = 0.5000 0.2887-0.0000 ( 3980 PWs) bands (ev): -32.2906 -32.2906 -13.5787 -13.5787 -13.2176 -13.2176 -13.1849 -13.1849 -1.9220 -1.9220 -1.9154 -1.9154 -0.5041 -0.5041 -0.4892 -0.4892 -0.3034 -0.3034 -0.0682 -0.0682 0.1589 0.1589 0.1724 0.1724 0.2874 0.2874 0.4428 0.4428 0.8372 0.8372 0.8688 0.8688 3.5578 3.5578 4.5533 4.5533 5.6242 5.6242 6.4104 6.4104 6.5165 6.5165 7.2774 7.2774 9.8304 9.8304 11.1384 11.1384 11.4544 11.4544 13.0163 13.0332 k = 0.3333 0.5774-0.0000 ( 3951 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1982 -13.1982 -1.9178 -1.9178 -1.8467 -1.8467 -0.5263 -0.5263 -0.4486 -0.4486 -0.3474 -0.3474 -0.0436 -0.0436 0.1786 0.1786 0.2576 0.2576 0.3040 0.3040 0.3553 0.3553 0.9129 0.9129 1.0968 1.0968 4.1510 4.1510 4.1757 4.1757 4.6806 4.6806 6.2580 6.2580 6.2654 6.2654 6.6186 6.6186 11.2117 11.2117 11.4680 11.4680 11.4814 11.4814 12.4101 12.4107 k = 0.3333 0.5774 0.0132 ( 3957 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2102 -13.2102 -13.1982 -13.1982 -1.9177 -1.9177 -1.8466 -1.8466 -0.5264 -0.5264 -0.4486 -0.4486 -0.3474 -0.3474 -0.0437 -0.0437 0.1785 0.1785 0.2575 0.2575 0.3038 0.3038 0.3553 0.3553 0.9128 0.9128 1.0968 1.0968 4.1494 4.1494 4.1740 4.1740 4.6820 4.6820 6.2615 6.2615 6.2689 6.2689 6.6159 6.6159 11.2154 11.2154 11.4651 11.4651 11.4784 11.4784 12.4113 12.4114 k = 0.3333 0.5774 0.0264 ( 3963 PWs) bands (ev): -32.2902 -32.2902 -13.5800 -13.5800 -13.2102 -13.2102 -13.1982 -13.1982 -1.9174 -1.9174 -1.8464 -1.8464 -0.5264 -0.5264 -0.4486 -0.4486 -0.3476 -0.3476 -0.0439 -0.0439 0.1785 0.1785 0.2573 0.2573 0.3036 0.3036 0.3552 0.3552 0.9126 0.9126 1.0967 1.0967 4.1446 4.1446 4.1691 4.1691 4.6862 4.6862 6.2720 6.2720 6.2795 6.2795 6.6077 6.6077 11.2265 11.2265 11.4564 11.4564 11.4697 11.4697 12.4143 12.4144 k = 0.3333 0.5774 0.0397 ( 3951 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1982 -13.1982 -1.9170 -1.9170 -1.8459 -1.8459 -0.5262 -0.5262 -0.4485 -0.4485 -0.3477 -0.3477 -0.0443 -0.0443 0.1785 0.1785 0.2571 0.2571 0.3034 0.3034 0.3551 0.3551 0.9125 0.9125 1.0967 1.0967 4.1367 4.1367 4.1611 4.1611 4.6932 4.6932 6.2892 6.2892 6.2967 6.2967 6.5943 6.5943 11.2449 11.2449 11.4423 11.4423 11.4553 11.4553 12.4196 12.4199 k = 0.3333 0.5774 0.0529 ( 3957 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1982 -13.1982 -1.9165 -1.9165 -1.8453 -1.8453 -0.5261 -0.5261 -0.4485 -0.4485 -0.3480 -0.3480 -0.0448 -0.0448 0.1784 0.1784 0.2568 0.2568 0.3029 0.3029 0.3549 0.3549 0.9121 0.9121 1.0966 1.0966 4.1261 4.1261 4.1503 4.1503 4.7030 4.7030 6.3127 6.3127 6.3204 6.3204 6.5759 6.5759 11.2702 11.2702 11.4227 11.4227 11.4354 11.4354 12.4266 12.4269 k = 0.3333 0.5774 0.0661 ( 3957 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1982 -13.1982 -1.9158 -1.9158 -1.8446 -1.8446 -0.5260 -0.5260 -0.4484 -0.4484 -0.3483 -0.3483 -0.0455 -0.0455 0.1784 0.1784 0.2563 0.2563 0.3023 0.3023 0.3547 0.3547 0.9117 0.9117 1.0965 1.0965 4.1131 4.1131 4.1370 4.1370 4.7154 4.7154 6.3421 6.3421 6.3499 6.3499 6.5527 6.5527 11.3021 11.3021 11.3980 11.3980 11.4105 11.4105 12.4349 12.4354 k = 0.3333 0.5774 0.0793 ( 3942 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1982 -13.1982 -1.9150 -1.9150 -1.8437 -1.8437 -0.5257 -0.5257 -0.4482 -0.4482 -0.3486 -0.3486 -0.0462 -0.0462 0.1784 0.1784 0.2560 0.2560 0.3018 0.3018 0.3544 0.3544 0.9112 0.9112 1.0964 1.0964 4.0980 4.0980 4.1216 4.1216 4.7304 4.7304 6.3769 6.3769 6.3845 6.3845 6.5253 6.5253 11.3397 11.3397 11.3687 11.3687 11.3813 11.3813 12.4446 12.4454 k = 0.3333 0.5774 0.0926 ( 3936 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9140 -1.9140 -1.8426 -1.8426 -0.5255 -0.5255 -0.4480 -0.4480 -0.3490 -0.3490 -0.0470 -0.0470 0.1783 0.1783 0.2554 0.2554 0.3010 0.3010 0.3542 0.3542 0.9107 0.9107 1.0963 1.0963 4.0812 4.0812 4.1046 4.1046 4.7480 4.7480 6.4163 6.4163 6.4225 6.4225 6.4951 6.4951 11.3349 11.3349 11.3451 11.3451 11.3857 11.3857 12.4548 12.4550 k = 0.3333 0.5774 0.1058 ( 3933 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9130 -1.9130 -1.8415 -1.8415 -0.5252 -0.5252 -0.4479 -0.4479 -0.3495 -0.3495 -0.0480 -0.0480 0.1782 0.1782 0.2548 0.2548 0.3002 0.3002 0.3539 0.3539 0.9101 0.9101 1.0961 1.0961 4.0633 4.0633 4.0863 4.0863 4.7680 4.7680 6.4461 6.4461 6.4596 6.4596 6.4797 6.4797 11.2973 11.2973 11.3076 11.3076 11.4342 11.4342 12.4655 12.4658 k = 0.3333 0.5774 0.1190 ( 3939 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9119 -1.9119 -1.8403 -1.8403 -0.5250 -0.5250 -0.4478 -0.4478 -0.3501 -0.3501 -0.0492 -0.0492 0.1780 0.1780 0.2540 0.2540 0.2993 0.2993 0.3535 0.3535 0.9094 0.9094 1.0959 1.0959 4.0445 4.0445 4.0672 4.0672 4.7902 4.7902 6.4151 6.4151 6.5061 6.5061 6.5190 6.5190 11.2564 11.2564 11.2662 11.2662 11.4877 11.4877 12.4763 12.4781 k = 0.3333 0.5774 0.1322 ( 3945 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9108 -1.9108 -1.8390 -1.8390 -0.5248 -0.5248 -0.4476 -0.4476 -0.3507 -0.3507 -0.0503 -0.0503 0.1779 0.1779 0.2532 0.2532 0.2982 0.2982 0.3531 0.3531 0.9087 0.9087 1.0957 1.0957 4.0254 4.0254 4.0478 4.0478 4.8145 4.8145 6.3748 6.3748 6.5551 6.5551 6.5673 6.5673 11.2126 11.2126 11.2219 11.2219 11.5450 11.5450 12.4870 12.4874 k = 0.3333 0.5774 0.1455 ( 3954 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1982 -13.1982 -1.9096 -1.9096 -1.8377 -1.8377 -0.5246 -0.5246 -0.4475 -0.4475 -0.3513 -0.3513 -0.0515 -0.0515 0.1777 0.1777 0.2524 0.2524 0.2972 0.2972 0.3527 0.3527 0.9080 0.9080 1.0955 1.0955 4.0062 4.0062 4.0283 4.0283 4.8406 4.8406 6.3318 6.3318 6.6056 6.6056 6.6179 6.6179 11.1667 11.1667 11.1755 11.1755 11.6055 11.6055 12.4971 12.4983 k = 0.3333 0.5774 0.1587 ( 3948 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9084 -1.9084 -1.8364 -1.8364 -0.5243 -0.5243 -0.4473 -0.4473 -0.3519 -0.3519 -0.0527 -0.0527 0.1777 0.1777 0.2517 0.2517 0.2962 0.2962 0.3523 0.3523 0.9073 0.9073 1.0953 1.0953 3.9875 3.9875 4.0093 4.0093 4.8684 4.8684 6.2871 6.2871 6.6568 6.6568 6.6694 6.6694 11.1195 11.1195 11.1276 11.1276 11.6683 11.6683 12.5067 12.5070 k = 0.3333 0.5774 0.1719 ( 3948 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9072 -1.9072 -1.8351 -1.8351 -0.5240 -0.5240 -0.4471 -0.4471 -0.3525 -0.3525 -0.0539 -0.0539 0.1776 0.1776 0.2509 0.2509 0.2952 0.2952 0.3519 0.3519 0.9066 0.9066 1.0951 1.0951 3.9693 3.9693 3.9909 3.9909 4.8975 4.8975 6.2415 6.2415 6.7080 6.7080 6.7208 6.7208 11.0716 11.0716 11.0791 11.0791 11.7324 11.7324 12.5152 12.5154 k = 0.3333 0.5774 0.1851 ( 3945 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9060 -1.9060 -1.8338 -1.8338 -0.5238 -0.5238 -0.4469 -0.4469 -0.3531 -0.3531 -0.0550 -0.0550 0.1775 0.1775 0.2501 0.2501 0.2943 0.2943 0.3516 0.3516 0.9059 0.9059 1.0950 1.0950 3.9522 3.9522 3.9734 3.9734 4.9275 4.9275 6.1956 6.1956 6.7580 6.7580 6.7712 6.7712 11.0239 11.0239 11.0310 11.0310 11.7968 11.7968 12.5230 12.5232 k = 0.3333 0.5774 0.1984 ( 3945 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9049 -1.9049 -1.8326 -1.8326 -0.5235 -0.5235 -0.4467 -0.4467 -0.3536 -0.3536 -0.0561 -0.0561 0.1774 0.1774 0.2494 0.2494 0.2933 0.2933 0.3512 0.3512 0.9053 0.9053 1.0948 1.0948 3.9362 3.9362 3.9572 3.9572 4.9580 4.9580 6.1502 6.1502 6.8062 6.8062 6.8197 6.8197 10.9775 10.9775 10.9840 10.9840 11.8606 11.8606 12.5295 12.5299 k = 0.3333 0.5774 0.2116 ( 3948 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9038 -1.9038 -1.8314 -1.8314 -0.5233 -0.5233 -0.4466 -0.4466 -0.3542 -0.3542 -0.0572 -0.0572 0.1773 0.1773 0.2487 0.2487 0.2924 0.2924 0.3509 0.3509 0.9047 0.9047 1.0946 1.0946 3.9216 3.9216 3.9424 3.9424 4.9884 4.9884 6.1061 6.1061 6.8514 6.8514 6.8653 6.8653 10.9333 10.9333 10.9393 10.9393 11.9225 11.9225 12.5351 12.5355 k = 0.3333 0.5774 0.2248 ( 3960 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2102 -13.2102 -13.1982 -13.1982 -1.9029 -1.9029 -1.8304 -1.8304 -0.5232 -0.5232 -0.4465 -0.4465 -0.3547 -0.3547 -0.0581 -0.0581 0.1772 0.1772 0.2480 0.2480 0.2916 0.2916 0.3505 0.3505 0.9041 0.9041 1.0944 1.0944 3.9087 3.9087 3.9293 3.9293 5.0179 5.0179 6.0642 6.0642 6.8930 6.8930 6.9071 6.9071 10.8923 10.8923 10.8979 10.8979 11.9812 11.9812 12.5395 12.5398 k = 0.3333 0.5774 0.2380 ( 3960 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2102 -13.2102 -13.1982 -13.1982 -1.9021 -1.9021 -1.8295 -1.8295 -0.5230 -0.5230 -0.4464 -0.4464 -0.3551 -0.3551 -0.0590 -0.0590 0.1771 0.1771 0.2475 0.2475 0.2909 0.2909 0.3502 0.3502 0.9036 0.9036 1.0943 1.0943 3.8974 3.8974 3.9179 3.9179 5.0459 5.0459 6.0256 6.0256 6.9299 6.9299 6.9444 6.9444 10.8555 10.8555 10.8608 10.8608 12.0352 12.0352 12.5431 12.5436 k = 0.3333 0.5774 0.2513 ( 3954 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9014 -1.9014 -1.8287 -1.8287 -0.5228 -0.5228 -0.4462 -0.4462 -0.3554 -0.3554 -0.0597 -0.0597 0.1771 0.1771 0.2471 0.2471 0.2904 0.2904 0.3500 0.3500 0.9032 0.9032 1.0942 1.0942 3.8881 3.8881 3.9084 3.9084 5.0712 5.0712 5.9913 5.9913 6.9615 6.9615 6.9761 6.9761 10.8239 10.8239 10.8289 10.8289 12.0829 12.0829 12.5457 12.5458 k = 0.3333 0.5774 0.2645 ( 3954 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9008 -1.9008 -1.8281 -1.8281 -0.5227 -0.5227 -0.4462 -0.4462 -0.3557 -0.3557 -0.0602 -0.0602 0.1770 0.1770 0.2467 0.2467 0.2899 0.2899 0.3498 0.3498 0.9029 0.9029 1.0941 1.0941 3.8807 3.8807 3.9009 3.9009 5.0927 5.0927 5.9627 5.9627 6.9868 6.9868 7.0017 7.0017 10.7983 10.7983 10.8030 10.8030 12.1226 12.1226 12.5477 12.5478 k = 0.3333 0.5774 0.2777 ( 3942 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2101 -13.2101 -13.1981 -13.1981 -1.9004 -1.9004 -1.8277 -1.8277 -0.5225 -0.5225 -0.4460 -0.4460 -0.3558 -0.3558 -0.0606 -0.0606 0.1771 0.1771 0.2465 0.2465 0.2896 0.2896 0.3498 0.3498 0.9027 0.9027 1.0940 1.0940 3.8754 3.8754 3.8955 3.8955 5.1092 5.1092 5.9410 5.9410 7.0054 7.0054 7.0204 7.0204 10.7795 10.7795 10.7840 10.7840 12.1526 12.1526 12.5490 12.5491 k = 0.3333 0.5774 0.2909 ( 3960 PWs) bands (ev): -32.2902 -32.2902 -13.5799 -13.5799 -13.2102 -13.2102 -13.1981 -13.1981 -1.9002 -1.9002 -1.8274 -1.8274 -0.5226 -0.5226 -0.4461 -0.4461 -0.3561 -0.3561 -0.0609 -0.0609 0.1770 0.1770 0.2462 0.2462 0.2893 0.2893 0.3496 0.3496 0.9025 0.9025 1.0940 1.0940 3.8722 3.8722 3.8922 3.8922 5.1197 5.1197 5.9274 5.9274 7.0168 7.0168 7.0319 7.0319 10.7679 10.7679 10.7724 10.7724 12.1712 12.1712 12.5497 12.5498 k = 0.3333 0.5774 0.3042 ( 3966 PWs) bands (ev): -32.2902 -32.2902 -13.5800 -13.5800 -13.2102 -13.2102 -13.1982 -13.1982 -1.9001 -1.9001 -1.8273 -1.8273 -0.5226 -0.5226 -0.4461 -0.4461 -0.3562 -0.3562 -0.0610 -0.0610 0.1769 0.1769 0.2461 0.2461 0.2892 0.2892 0.3496 0.3496 0.9024 0.9024 1.0939 1.0939 3.8711 3.8711 3.8911 3.8911 5.1233 5.1233 5.9228 5.9228 7.0206 7.0206 7.0357 7.0357 10.7640 10.7640 10.7684 10.7684 12.1776 12.1776 12.5500 12.5511 Writing output data file CaxCdPx2.save init_run : 0.84s CPU 1.10s WALL ( 1 calls) electrons : 309.51s CPU 315.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.05s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 309.50s CPU 315.21s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.34s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 312 calls) cegterg : 297.28s CPU 301.25s WALL ( 1083 calls) Called by sum_band: Called by *egterg: h_psi : 134.08s CPU 136.62s WALL ( 20346 calls) s_psi : 11.67s CPU 11.72s WALL ( 20346 calls) g_psi : 0.45s CPU 0.39s WALL ( 18951 calls) cdiaghg : 128.15s CPU 129.78s WALL ( 19263 calls) cegterg:over : 10.56s CPU 10.75s WALL ( 18951 calls) cegterg:upda : 11.31s CPU 11.60s WALL ( 18951 calls) cegterg:last : 4.74s CPU 4.71s WALL ( 2307 calls) cdiaghg:chol : 7.10s CPU 7.29s WALL ( 19263 calls) cdiaghg:inve : 4.58s CPU 4.80s WALL ( 19263 calls) cdiaghg:para : 7.57s CPU 7.47s WALL ( 38526 calls) Called by h_psi: h_psi:vloc : 107.16s CPU 109.52s WALL ( 20346 calls) h_psi:vnl : 26.44s CPU 26.70s WALL ( 20346 calls) add_vuspsi : 13.40s CPU 13.74s WALL ( 20346 calls) General routines calbec : 12.97s CPU 12.91s WALL ( 20346 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.55s CPU 94.90s WALL ( 1359040 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.23s WALL ( 624 calls) Parallel routines fft_scatter : 38.27s CPU 39.06s WALL ( 1359063 calls) PWSCF : 5m25.48s CPU 5m51.09s WALL This run was terminated on: 16:40:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=