Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:39:30 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: ./CaZnGe.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 35 23 7 1903 1027 161 Max 36 24 8 1910 1051 167 Sum 1261 847 253 68577 37477 5953 bravais-lattice index = 14 lattice parameter (alat) = 8.1220 a.u. unit-cell volume = 884.9422 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.122042 celldm(2)= 1.000000 celldm(3)= 1.907166 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 1.907166 ) 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 0.524338 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0033003 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0033003 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0033003 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0033003 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0033003 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0033003 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0033003 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0033003 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0033003 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0033003 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0033003 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033003 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033003 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033003 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033003 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033003 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0033003 k( 74) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0033003 k( 75) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0033003 k( 86) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0033003 k( 87) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0033003 k( 88) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0033003 k( 89) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0033003 k( 90) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0033003 k( 92) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0033003 k( 93) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0033003 k( 94) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0033003 k( 96) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0033003 k( 98) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0033003 k( 99) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0033003 k( 100) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0033003 k( 101) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0033003 k( 102) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0033003 k( 103) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0033003 k( 104) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0033003 k( 105) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0033003 k( 106) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0033003 k( 107) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0033003 k( 108) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0033003 k( 109) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0033003 k( 110) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0033003 k( 111) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0033003 k( 112) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0033003 k( 113) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0033003 k( 114) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0033003 k( 115) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0033003 k( 116) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0033003 k( 117) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0033003 k( 118) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0033003 k( 119) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.0131085), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.0262169), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.0393254), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.0524338), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.0655423), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.0786507), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.0917592), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.1048676), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.1179761), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.1310845), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.1441930), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.1573015), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.1704099), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.1835184), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.1966268), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.2097353), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.2228437), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.2359522), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.2490606), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.2621691), wk = 0.0033003 k( 142) = ( 0.0000000 0.0000000 0.2621691), wk = 0.0033003 k( 143) = ( 0.0116279 0.0067134 0.2621691), wk = 0.0033003 k( 144) = ( 0.0232558 0.0134267 0.2621691), wk = 0.0033003 k( 145) = ( 0.0348837 0.0201401 0.2621691), wk = 0.0033003 k( 146) = ( 0.0465116 0.0268535 0.2621691), wk = 0.0033003 k( 147) = ( 0.0581395 0.0335669 0.2621691), wk = 0.0033003 k( 148) = ( 0.0697674 0.0402803 0.2621691), wk = 0.0033003 k( 149) = ( 0.0813954 0.0469936 0.2621691), wk = 0.0033003 k( 150) = ( 0.0930233 0.0537070 0.2621691), wk = 0.0033003 k( 151) = ( 0.1046512 0.0604204 0.2621691), wk = 0.0033003 k( 152) = ( 0.1162791 0.0671338 0.2621691), wk = 0.0033003 k( 153) = ( 0.1279070 0.0738471 0.2621691), wk = 0.0033003 k( 154) = ( 0.1395349 0.0805605 0.2621691), wk = 0.0033003 k( 155) = ( 0.1511628 0.0872739 0.2621691), wk = 0.0033003 k( 156) = ( 0.1627907 0.0939873 0.2621691), wk = 0.0033003 k( 157) = ( 0.1744186 0.1007006 0.2621691), wk = 0.0033003 k( 158) = ( 0.1860465 0.1074140 0.2621691), wk = 0.0033003 k( 159) = ( 0.1976744 0.1141274 0.2621691), wk = 0.0033003 k( 160) = ( 0.2093023 0.1208408 0.2621691), wk = 0.0033003 k( 161) = ( 0.2209302 0.1275541 0.2621691), wk = 0.0033003 k( 162) = ( 0.2325581 0.1342675 0.2621691), wk = 0.0033003 k( 163) = ( 0.2441860 0.1409809 0.2621691), wk = 0.0033003 k( 164) = ( 0.2558140 0.1476943 0.2621691), wk = 0.0033003 k( 165) = ( 0.2674419 0.1544076 0.2621691), wk = 0.0033003 k( 166) = ( 0.2790698 0.1611210 0.2621691), wk = 0.0033003 k( 167) = ( 0.2906977 0.1678344 0.2621691), wk = 0.0033003 k( 168) = ( 0.3023256 0.1745478 0.2621691), wk = 0.0033003 k( 169) = ( 0.3139535 0.1812611 0.2621691), wk = 0.0033003 k( 170) = ( 0.3255814 0.1879745 0.2621691), wk = 0.0033003 k( 171) = ( 0.3372093 0.1946879 0.2621691), wk = 0.0033003 k( 172) = ( 0.3488372 0.2014013 0.2621691), wk = 0.0033003 k( 173) = ( 0.3604651 0.2081146 0.2621691), wk = 0.0033003 k( 174) = ( 0.3720930 0.2148280 0.2621691), wk = 0.0033003 k( 175) = ( 0.3837209 0.2215414 0.2621691), wk = 0.0033003 k( 176) = ( 0.3953488 0.2282548 0.2621691), wk = 0.0033003 k( 177) = ( 0.4069767 0.2349681 0.2621691), wk = 0.0033003 k( 178) = ( 0.4186047 0.2416815 0.2621691), wk = 0.0033003 k( 179) = ( 0.4302326 0.2483949 0.2621691), wk = 0.0033003 k( 180) = ( 0.4418605 0.2551083 0.2621691), wk = 0.0033003 k( 181) = ( 0.4534884 0.2618216 0.2621691), wk = 0.0033003 k( 182) = ( 0.4651163 0.2685350 0.2621691), wk = 0.0033003 k( 183) = ( 0.4767442 0.2752484 0.2621691), wk = 0.0033003 k( 184) = ( 0.4883721 0.2819618 0.2621691), wk = 0.0033003 k( 185) = ( 0.5000000 0.2886751 0.2621691), wk = 0.0033003 k( 186) = ( 0.5000000 0.2886751 0.2621691), wk = 0.0033003 k( 187) = ( 0.4933333 0.3002221 0.2621691), wk = 0.0033003 k( 188) = ( 0.4866667 0.3117692 0.2621691), wk = 0.0033003 k( 189) = ( 0.4800000 0.3233162 0.2621691), wk = 0.0033003 k( 190) = ( 0.4733333 0.3348632 0.2621691), wk = 0.0033003 k( 191) = ( 0.4666667 0.3464102 0.2621691), wk = 0.0033003 k( 192) = ( 0.4600000 0.3579572 0.2621691), wk = 0.0033003 k( 193) = ( 0.4533333 0.3695042 0.2621691), wk = 0.0033003 k( 194) = ( 0.4466667 0.3810512 0.2621691), wk = 0.0033003 k( 195) = ( 0.4400000 0.3925982 0.2621691), wk = 0.0033003 k( 196) = ( 0.4333333 0.4041452 0.2621691), wk = 0.0033003 k( 197) = ( 0.4266667 0.4156922 0.2621691), wk = 0.0033003 k( 198) = ( 0.4200000 0.4272392 0.2621691), wk = 0.0033003 k( 199) = ( 0.4133333 0.4387862 0.2621691), wk = 0.0033003 k( 200) = ( 0.4066667 0.4503332 0.2621691), wk = 0.0033003 k( 201) = ( 0.4000000 0.4618802 0.2621691), wk = 0.0033003 k( 202) = ( 0.3933333 0.4734272 0.2621691), wk = 0.0033003 k( 203) = ( 0.3866667 0.4849742 0.2621691), wk = 0.0033003 k( 204) = ( 0.3800000 0.4965212 0.2621691), wk = 0.0033003 k( 205) = ( 0.3733333 0.5080682 0.2621691), wk = 0.0033003 k( 206) = ( 0.3666667 0.5196152 0.2621691), wk = 0.0033003 k( 207) = ( 0.3600000 0.5311622 0.2621691), wk = 0.0033003 k( 208) = ( 0.3533333 0.5427092 0.2621691), wk = 0.0033003 k( 209) = ( 0.3466667 0.5542563 0.2621691), wk = 0.0033003 k( 210) = ( 0.3400000 0.5658033 0.2621691), wk = 0.0033003 k( 211) = ( 0.3333333 0.5773503 0.2621691), wk = 0.0033003 k( 212) = ( 0.3333333 0.5773503 0.2621691), wk = 0.0033003 k( 213) = ( 0.3265306 0.5655676 0.2621691), wk = 0.0033003 k( 214) = ( 0.3197279 0.5537850 0.2621691), wk = 0.0033003 k( 215) = ( 0.3129252 0.5420023 0.2621691), wk = 0.0033003 k( 216) = ( 0.3061224 0.5302196 0.2621691), wk = 0.0033003 k( 217) = ( 0.2993197 0.5184370 0.2621691), wk = 0.0033003 k( 218) = ( 0.2925170 0.5066543 0.2621691), wk = 0.0033003 k( 219) = ( 0.2857143 0.4948717 0.2621691), wk = 0.0033003 k( 220) = ( 0.2789116 0.4830890 0.2621691), wk = 0.0033003 k( 221) = ( 0.2721088 0.4713063 0.2621691), wk = 0.0033003 k( 222) = ( 0.2653061 0.4595237 0.2621691), wk = 0.0033003 k( 223) = ( 0.2585034 0.4477410 0.2621691), wk = 0.0033003 k( 224) = ( 0.2517007 0.4359584 0.2621691), wk = 0.0033003 k( 225) = ( 0.2448980 0.4241757 0.2621691), wk = 0.0033003 k( 226) = ( 0.2380952 0.4123931 0.2621691), wk = 0.0033003 k( 227) = ( 0.2312925 0.4006104 0.2621691), wk = 0.0033003 k( 228) = ( 0.2244898 0.3888277 0.2621691), wk = 0.0033003 k( 229) = ( 0.2176871 0.3770451 0.2621691), wk = 0.0033003 k( 230) = ( 0.2108843 0.3652624 0.2621691), wk = 0.0033003 k( 231) = ( 0.2040816 0.3534798 0.2621691), wk = 0.0033003 k( 232) = ( 0.1972789 0.3416971 0.2621691), wk = 0.0033003 k( 233) = ( 0.1904762 0.3299144 0.2621691), wk = 0.0033003 k( 234) = ( 0.1836735 0.3181318 0.2621691), wk = 0.0033003 k( 235) = ( 0.1768707 0.3063491 0.2621691), wk = 0.0033003 k( 236) = ( 0.1700680 0.2945665 0.2621691), wk = 0.0033003 k( 237) = ( 0.1632653 0.2827838 0.2621691), wk = 0.0033003 k( 238) = ( 0.1564626 0.2710012 0.2621691), wk = 0.0033003 k( 239) = ( 0.1496599 0.2592185 0.2621691), wk = 0.0033003 k( 240) = ( 0.1428571 0.2474358 0.2621691), wk = 0.0033003 k( 241) = ( 0.1360544 0.2356532 0.2621691), wk = 0.0033003 k( 242) = ( 0.1292517 0.2238705 0.2621691), wk = 0.0033003 k( 243) = ( 0.1224490 0.2120879 0.2621691), wk = 0.0033003 k( 244) = ( 0.1156463 0.2003052 0.2621691), wk = 0.0033003 k( 245) = ( 0.1088435 0.1885225 0.2621691), wk = 0.0033003 k( 246) = ( 0.1020408 0.1767399 0.2621691), wk = 0.0033003 k( 247) = ( 0.0952381 0.1649572 0.2621691), wk = 0.0033003 k( 248) = ( 0.0884354 0.1531746 0.2621691), wk = 0.0033003 k( 249) = ( 0.0816327 0.1413919 0.2621691), wk = 0.0033003 k( 250) = ( 0.0748299 0.1296092 0.2621691), wk = 0.0033003 k( 251) = ( 0.0680272 0.1178266 0.2621691), wk = 0.0033003 k( 252) = ( 0.0612245 0.1060439 0.2621691), wk = 0.0033003 k( 253) = ( 0.0544218 0.0942613 0.2621691), wk = 0.0033003 k( 254) = ( 0.0476191 0.0824786 0.2621691), wk = 0.0033003 k( 255) = ( 0.0408163 0.0706960 0.2621691), wk = 0.0033003 k( 256) = ( 0.0340136 0.0589133 0.2621691), wk = 0.0033003 k( 257) = ( 0.0272109 0.0471306 0.2621691), wk = 0.0033003 k( 258) = ( 0.0204082 0.0353480 0.2621691), wk = 0.0033003 k( 259) = ( 0.0136054 0.0235653 0.2621691), wk = 0.0033003 k( 260) = ( 0.0068027 0.0117827 0.2621691), wk = 0.0033003 k( 261) = ( 0.0000000 0.0000000 0.2621691), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.2621691), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.2490606), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.2359522), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.2228437), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 0.2097353), wk = 0.0033003 k( 267) = ( 0.5000000 0.2886751 0.1966268), wk = 0.0033003 k( 268) = ( 0.5000000 0.2886751 0.1835184), wk = 0.0033003 k( 269) = ( 0.5000000 0.2886751 0.1704099), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.1573015), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.1441930), wk = 0.0033003 k( 272) = ( 0.5000000 0.2886751 0.1310845), wk = 0.0033003 k( 273) = ( 0.5000000 0.2886751 0.1179761), wk = 0.0033003 k( 274) = ( 0.5000000 0.2886751 0.1048676), wk = 0.0033003 k( 275) = ( 0.5000000 0.2886751 0.0917592), wk = 0.0033003 k( 276) = ( 0.5000000 0.2886751 0.0786507), wk = 0.0033003 k( 277) = ( 0.5000000 0.2886751 0.0655423), wk = 0.0033003 k( 278) = ( 0.5000000 0.2886751 0.0524338), wk = 0.0033003 k( 279) = ( 0.5000000 0.2886751 0.0393254), wk = 0.0033003 k( 280) = ( 0.5000000 0.2886751 0.0262169), wk = 0.0033003 k( 281) = ( 0.5000000 0.2886751 0.0131085), wk = 0.0033003 k( 282) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.0131085), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.0262169), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.0393254), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.0524338), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.0655423), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.0786507), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.0917592), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.1048676), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.1179761), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.1310845), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.1441930), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.1573015), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.1704099), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.1835184), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.1966268), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.2097353), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.2228437), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.2359522), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.2490606), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.2621691), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0033003 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0033003 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0033003 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0033003 k( 8) = ( 0.0813954 0.0000000 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0033003 k( 10) = ( 0.1046512 0.0000000 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0033003 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1627907 0.0000000 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0033003 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0033003 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2093023 0.0000000 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0033003 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0033003 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0033003 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0033003 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0033003 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0033003 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0033003 k( 29) = ( 0.3255814 0.0000000 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3372093 0.0000000 -0.0000000), wk = 0.0033003 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0033003 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0033003 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0033003 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0033003 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0033003 k( 38) = ( 0.4302326 0.0000000 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0033003 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0033003 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0033003 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0033003 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0033003 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0033003 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0033003 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0033003 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0033003 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033003 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0033003 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0033003 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0033003 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0033003 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033003 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0033003 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0033003 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0033003 k( 73) = ( 0.3197279 0.3197279 -0.0000000), wk = 0.0033003 k( 74) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0033003 k( 75) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0033003 k( 77) = ( 0.2925170 0.2925170 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2789116 0.2789116 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2721088 0.2721088 0.0000000), wk = 0.0033003 k( 81) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0033003 k( 82) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0033003 k( 83) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0033003 k( 84) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0033003 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0033003 k( 86) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0033003 k( 87) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0033003 k( 88) = ( 0.2176871 0.2176871 -0.0000000), wk = 0.0033003 k( 89) = ( 0.2108843 0.2108844 0.0000000), wk = 0.0033003 k( 90) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0033003 k( 92) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0033003 k( 93) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0033003 k( 94) = ( 0.1768707 0.1768708 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1700680 0.1700680 -0.0000000), wk = 0.0033003 k( 96) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0033003 k( 97) = ( 0.1564626 0.1564626 0.0000000), wk = 0.0033003 k( 98) = ( 0.1496599 0.1496599 0.0000000), wk = 0.0033003 k( 99) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0033003 k( 100) = ( 0.1360544 0.1360544 0.0000000), wk = 0.0033003 k( 101) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0033003 k( 102) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0033003 k( 103) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0033003 k( 104) = ( 0.1088435 0.1088435 0.0000000), wk = 0.0033003 k( 105) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0033003 k( 106) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0033003 k( 107) = ( 0.0884354 0.0884354 0.0000000), wk = 0.0033003 k( 108) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0033003 k( 109) = ( 0.0748299 0.0748299 0.0000000), wk = 0.0033003 k( 110) = ( 0.0680272 0.0680272 0.0000000), wk = 0.0033003 k( 111) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0033003 k( 112) = ( 0.0544218 0.0544218 0.0000000), wk = 0.0033003 k( 113) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0033003 k( 114) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0033003 k( 115) = ( 0.0340136 0.0340136 0.0000000), wk = 0.0033003 k( 116) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0033003 k( 117) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0033003 k( 118) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0033003 k( 119) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 143) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.1046512 0.0000000 0.5000000), wk = 0.0033003 k( 152) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0033003 k( 153) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0033003 k( 154) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0033003 k( 155) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0033003 k( 156) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0033003 k( 157) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0033003 k( 158) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0033003 k( 159) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0033003 k( 160) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0033003 k( 161) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0033003 k( 162) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0033003 k( 163) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.2558140 -0.0000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0033003 k( 171) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0033003 k( 172) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0033003 k( 173) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0033003 k( 174) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0033003 k( 175) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0033003 k( 177) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0033003 k( 178) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0033003 k( 179) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0033003 k( 180) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0033003 k( 181) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0033003 k( 182) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0033003 k( 183) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0033003 k( 184) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0033003 k( 185) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 187) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033003 k( 188) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033003 k( 189) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033003 k( 190) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033003 k( 191) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033003 k( 192) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033003 k( 193) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033003 k( 194) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033003 k( 195) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033003 k( 196) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033003 k( 197) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033003 k( 198) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033003 k( 199) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033003 k( 200) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033003 k( 201) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033003 k( 202) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033003 k( 203) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033003 k( 204) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033003 k( 205) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033003 k( 206) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033003 k( 207) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033003 k( 208) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033003 k( 209) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033003 k( 210) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033003 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 213) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0033003 k( 214) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0033003 k( 215) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0033003 k( 216) = ( 0.3061224 0.3061224 0.5000000), wk = 0.0033003 k( 217) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0033003 k( 218) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0033003 k( 219) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0033003 k( 220) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0033003 k( 221) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0033003 k( 222) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0033003 k( 223) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0033003 k( 224) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0033003 k( 225) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0033003 k( 226) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0033003 k( 227) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0033003 k( 228) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0033003 k( 229) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0033003 k( 230) = ( 0.2108843 0.2108844 0.5000000), wk = 0.0033003 k( 231) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0033003 k( 232) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0033003 k( 233) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0033003 k( 234) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0033003 k( 235) = ( 0.1768707 0.1768708 0.5000000), wk = 0.0033003 k( 236) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0033003 k( 237) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0033003 k( 238) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0033003 k( 239) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0033003 k( 240) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0033003 k( 241) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0033003 k( 242) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0033003 k( 243) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0033003 k( 244) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0033003 k( 245) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0033003 k( 246) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0033003 k( 247) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0033003 k( 248) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0033003 k( 249) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0033003 k( 250) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0033003 k( 251) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0033003 k( 252) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0033003 k( 253) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0033003 k( 254) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0033003 k( 255) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0033003 k( 256) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0033003 k( 257) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0033003 k( 258) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0033003 k( 259) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0033003 k( 260) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0033003 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 263) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0033003 k( 264) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0033003 k( 265) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0033003 k( 266) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033003 k( 267) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033003 k( 268) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0033003 k( 269) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0033003 k( 270) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033003 k( 271) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0033003 k( 272) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033003 k( 273) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0033003 k( 274) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033003 k( 275) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0033003 k( 276) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0033003 k( 277) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033003 k( 278) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033003 k( 279) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0033003 k( 280) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0033003 k( 281) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0033003 k( 282) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 283) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 284) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0033003 k( 285) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033003 k( 286) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 68577 G-vectors FFT dimensions: ( 45, 45, 81) Smooth grid: 37477 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 258, 62) NL pseudopotentials 0.32 Mb ( 129, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1909) G-vector shells 0.01 Mb ( 922) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.98 Mb ( 258, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 164, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CaZnGe.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.1 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.2 secs Computing kpt #: 11 total cpu time spent up to now is 13.1 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 14.8 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.7 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.5 secs Computing kpt #: 16 total cpu time spent up to now is 20.0 secs Computing kpt #: 17 total cpu time spent up to now is 21.4 secs Computing kpt #: 18 total cpu time spent up to now is 22.8 secs Computing kpt #: 19 total cpu time spent up to now is 24.0 secs Computing kpt #: 20 total cpu time spent up to now is 25.3 secs Computing kpt #: 21 total cpu time spent up to now is 26.7 secs Computing kpt #: 22 total cpu time spent up to now is 27.9 secs Computing kpt #: 23 total cpu time spent up to now is 29.3 secs Computing kpt #: 24 total cpu time spent up to now is 30.6 secs Computing kpt #: 25 total cpu time spent up to now is 32.1 secs Computing kpt #: 26 total cpu time spent up to now is 33.6 secs Computing kpt #: 27 total cpu time spent up to now is 35.1 secs Computing kpt #: 28 total cpu time spent up to now is 36.5 secs Computing kpt #: 29 total cpu time spent up to now is 38.1 secs Computing kpt #: 30 total cpu time spent up to now is 39.8 secs Computing kpt #: 31 total cpu time spent up to now is 41.3 secs Computing kpt #: 32 total cpu time spent up to now is 42.7 secs Computing kpt #: 33 total cpu time spent up to now is 44.0 secs Computing kpt #: 34 total cpu time spent up to now is 45.2 secs Computing kpt #: 35 total cpu time spent up to now is 47.0 secs Computing kpt #: 36 total cpu time spent up to now is 48.3 secs Computing kpt #: 37 total cpu time spent up to now is 49.9 secs Computing kpt #: 38 total cpu time spent up to now is 51.4 secs Computing kpt #: 39 total cpu time spent up to now is 53.2 secs Computing kpt #: 40 total cpu time spent up to now is 54.7 secs Computing kpt #: 41 total cpu time spent up to now is 56.2 secs Computing kpt #: 42 total cpu time spent up to now is 57.6 secs Computing kpt #: 43 total cpu time spent up to now is 59.0 secs Computing kpt #: 44 total cpu time spent up to now is 60.4 secs Computing kpt #: 45 total cpu time spent up to now is 61.8 secs Computing kpt #: 46 total cpu time spent up to now is 63.4 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.3 secs Computing kpt #: 48 total cpu time spent up to now is 66.9 secs Computing kpt #: 49 total cpu time spent up to now is 68.0 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.9 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.8 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 73.7 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.5 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.3 secs Computing kpt #: 55 total cpu time spent up to now is 79.1 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.0 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.9 secs Computing kpt #: 58 total cpu time spent up to now is 83.9 secs Computing kpt #: 59 total cpu time spent up to now is 84.9 secs Computing kpt #: 60 total cpu time spent up to now is 85.8 secs Computing kpt #: 61 total cpu time spent up to now is 86.7 secs Computing kpt #: 62 total cpu time spent up to now is 87.6 secs Computing kpt #: 63 total cpu time spent up to now is 88.6 secs Computing kpt #: 64 total cpu time spent up to now is 89.6 secs Computing kpt #: 65 total cpu time spent up to now is 90.6 secs Computing kpt #: 66 total cpu time spent up to now is 91.6 secs Computing kpt #: 67 total cpu time spent up to now is 92.5 secs Computing kpt #: 68 total cpu time spent up to now is 93.5 secs Computing kpt #: 69 total cpu time spent up to now is 94.5 secs Computing kpt #: 70 total cpu time spent up to now is 95.5 secs Computing kpt #: 71 total cpu time spent up to now is 96.6 secs Computing kpt #: 72 total cpu time spent up to now is 97.6 secs Computing kpt #: 73 total cpu time spent up to now is 98.5 secs Computing kpt #: 74 total cpu time spent up to now is 99.4 secs Computing kpt #: 75 total cpu time spent up to now is 100.4 secs Computing kpt #: 76 total cpu time spent up to now is 101.3 secs Computing kpt #: 77 total cpu time spent up to now is 102.2 secs Computing kpt #: 78 total cpu time spent up to now is 103.1 secs Computing kpt #: 79 total cpu time spent up to now is 104.0 secs Computing kpt #: 80 total cpu time spent up to now is 105.0 secs Computing kpt #: 81 total cpu time spent up to now is 106.1 secs Computing kpt #: 82 total cpu time spent up to now is 107.1 secs Computing kpt #: 83 total cpu time spent up to now is 108.0 secs Computing kpt #: 84 total cpu time spent up to now is 108.8 secs Computing kpt #: 85 total cpu time spent up to now is 109.7 secs Computing kpt #: 86 total cpu time spent up to now is 110.5 secs Computing kpt #: 87 total cpu time spent up to now is 111.3 secs Computing kpt #: 88 total cpu time spent up to now is 112.1 secs Computing kpt #: 89 total cpu time spent up to now is 112.9 secs Computing kpt #: 90 total cpu time spent up to now is 113.8 secs Computing kpt #: 91 total cpu time spent up to now is 114.6 secs Computing kpt #: 92 total cpu time spent up to now is 115.6 secs Computing kpt #: 93 total cpu time spent up to now is 116.6 secs Computing kpt #: 94 total cpu time spent up to now is 117.7 secs Computing kpt #: 95 total cpu time spent up to now is 119.1 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.0 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.8 secs Computing kpt #: 98 total cpu time spent up to now is 124.6 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.5 secs Computing kpt #: 100 total cpu time spent up to now is 128.3 secs Computing kpt #: 101 total cpu time spent up to now is 129.7 secs Computing kpt #: 102 total cpu time spent up to now is 131.2 secs Computing kpt #: 103 total cpu time spent up to now is 132.6 secs Computing kpt #: 104 total cpu time spent up to now is 134.2 secs Computing kpt #: 105 total cpu time spent up to now is 135.7 secs Computing kpt #: 106 total cpu time spent up to now is 137.3 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.1 secs Computing kpt #: 108 total cpu time spent up to now is 139.9 secs Computing kpt #: 109 total cpu time spent up to now is 140.6 secs Computing kpt #: 110 total cpu time spent up to now is 141.4 secs Computing kpt #: 111 total cpu time spent up to now is 142.3 secs Computing kpt #: 112 total cpu time spent up to now is 144.4 secs Computing kpt #: 113 total cpu time spent up to now is 145.2 secs Computing kpt #: 114 total cpu time spent up to now is 146.6 secs Computing kpt #: 115 total cpu time spent up to now is 147.6 secs Computing kpt #: 116 total cpu time spent up to now is 148.5 secs Computing kpt #: 117 total cpu time spent up to now is 149.4 secs Computing kpt #: 118 total cpu time spent up to now is 150.4 secs Computing kpt #: 119 total cpu time spent up to now is 151.4 secs Computing kpt #: 120 total cpu time spent up to now is 152.3 secs Computing kpt #: 121 total cpu time spent up to now is 153.3 secs Computing kpt #: 122 total cpu time spent up to now is 154.2 secs Computing kpt #: 123 total cpu time spent up to now is 155.1 secs Computing kpt #: 124 total cpu time spent up to now is 155.9 secs Computing kpt #: 125 total cpu time spent up to now is 156.7 secs Computing kpt #: 126 total cpu time spent up to now is 157.6 secs Computing kpt #: 127 total cpu time spent up to now is 158.4 secs Computing kpt #: 128 total cpu time spent up to now is 159.3 secs Computing kpt #: 129 total cpu time spent up to now is 160.1 secs Computing kpt #: 130 total cpu time spent up to now is 160.9 secs Computing kpt #: 131 total cpu time spent up to now is 161.7 secs Computing kpt #: 132 total cpu time spent up to now is 162.6 secs Computing kpt #: 133 total cpu time spent up to now is 163.5 secs Computing kpt #: 134 total cpu time spent up to now is 164.3 secs Computing kpt #: 135 total cpu time spent up to now is 165.3 secs Computing kpt #: 136 total cpu time spent up to now is 166.4 secs Computing kpt #: 137 total cpu time spent up to now is 167.5 secs Computing kpt #: 138 total cpu time spent up to now is 169.4 secs Computing kpt #: 139 total cpu time spent up to now is 170.5 secs Computing kpt #: 140 total cpu time spent up to now is 171.6 secs Computing kpt #: 141 total cpu time spent up to now is 172.7 secs Computing kpt #: 142 total cpu time spent up to now is 173.7 secs Computing kpt #: 143 total cpu time spent up to now is 174.9 secs Computing kpt #: 144 total cpu time spent up to now is 175.8 secs Computing kpt #: 145 total cpu time spent up to now is 176.8 secs Computing kpt #: 146 total cpu time spent up to now is 177.8 secs Computing kpt #: 147 total cpu time spent up to now is 178.7 secs Computing kpt #: 148 total cpu time spent up to now is 179.6 secs Computing kpt #: 149 total cpu time spent up to now is 180.5 secs Computing kpt #: 150 total cpu time spent up to now is 181.5 secs Computing kpt #: 151 total cpu time spent up to now is 182.5 secs Computing kpt #: 152 total cpu time spent up to now is 183.6 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.5 secs Computing kpt #: 154 total cpu time spent up to now is 187.3 secs Computing kpt #: 155 total cpu time spent up to now is 188.5 secs Computing kpt #: 156 total cpu time spent up to now is 189.6 secs Computing kpt #: 157 total cpu time spent up to now is 191.0 secs Computing kpt #: 158 total cpu time spent up to now is 192.1 secs Computing kpt #: 159 total cpu time spent up to now is 193.1 secs Computing kpt #: 160 total cpu time spent up to now is 194.1 secs Computing kpt #: 161 total cpu time spent up to now is 195.1 secs Computing kpt #: 162 total cpu time spent up to now is 196.1 secs Computing kpt #: 163 total cpu time spent up to now is 197.2 secs Computing kpt #: 164 total cpu time spent up to now is 198.2 secs Computing kpt #: 165 total cpu time spent up to now is 199.2 secs Computing kpt #: 166 total cpu time spent up to now is 200.3 secs Computing kpt #: 167 total cpu time spent up to now is 201.3 secs Computing kpt #: 168 total cpu time spent up to now is 202.4 secs Computing kpt #: 169 total cpu time spent up to now is 203.4 secs Computing kpt #: 170 total cpu time spent up to now is 204.4 secs Computing kpt #: 171 total cpu time spent up to now is 205.4 secs Computing kpt #: 172 total cpu time spent up to now is 206.4 secs Computing kpt #: 173 total cpu time spent up to now is 207.3 secs Computing kpt #: 174 total cpu time spent up to now is 208.3 secs Computing kpt #: 175 total cpu time spent up to now is 209.3 secs Computing kpt #: 176 total cpu time spent up to now is 210.3 secs Computing kpt #: 177 total cpu time spent up to now is 211.3 secs Computing kpt #: 178 total cpu time spent up to now is 212.4 secs Computing kpt #: 179 total cpu time spent up to now is 213.5 secs Computing kpt #: 180 total cpu time spent up to now is 214.7 secs Computing kpt #: 181 total cpu time spent up to now is 216.0 secs Computing kpt #: 182 total cpu time spent up to now is 217.4 secs Computing kpt #: 183 total cpu time spent up to now is 219.1 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.9 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.8 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.6 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.5 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.3 secs Computing kpt #: 189 total cpu time spent up to now is 229.8 secs Computing kpt #: 190 total cpu time spent up to now is 231.3 secs Computing kpt #: 191 total cpu time spent up to now is 232.7 secs Computing kpt #: 192 total cpu time spent up to now is 233.9 secs Computing kpt #: 193 total cpu time spent up to now is 235.1 secs Computing kpt #: 194 total cpu time spent up to now is 236.2 secs Computing kpt #: 195 total cpu time spent up to now is 237.3 secs Computing kpt #: 196 total cpu time spent up to now is 238.5 secs Computing kpt #: 197 total cpu time spent up to now is 239.6 secs Computing kpt #: 198 total cpu time spent up to now is 240.6 secs Computing kpt #: 199 total cpu time spent up to now is 241.6 secs Computing kpt #: 200 total cpu time spent up to now is 242.6 secs Computing kpt #: 201 total cpu time spent up to now is 243.8 secs Computing kpt #: 202 total cpu time spent up to now is 244.7 secs Computing kpt #: 203 total cpu time spent up to now is 246.1 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.1 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.0 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 252.0 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.9 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.8 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.7 secs Computing kpt #: 210 total cpu time spent up to now is 259.0 secs Computing kpt #: 211 total cpu time spent up to now is 260.5 secs Computing kpt #: 212 total cpu time spent up to now is 261.6 secs Computing kpt #: 213 total cpu time spent up to now is 262.8 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.6 secs Computing kpt #: 215 total cpu time spent up to now is 266.4 secs Computing kpt #: 216 total cpu time spent up to now is 267.9 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.8 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.7 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.7 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.7 secs Computing kpt #: 221 total cpu time spent up to now is 277.2 secs Computing kpt #: 222 total cpu time spent up to now is 278.4 secs Computing kpt #: 223 total cpu time spent up to now is 279.4 secs Computing kpt #: 224 total cpu time spent up to now is 280.4 secs Computing kpt #: 225 total cpu time spent up to now is 281.5 secs Computing kpt #: 226 total cpu time spent up to now is 282.5 secs Computing kpt #: 227 total cpu time spent up to now is 283.4 secs Computing kpt #: 228 total cpu time spent up to now is 284.6 secs Computing kpt #: 229 total cpu time spent up to now is 285.9 secs Computing kpt #: 230 total cpu time spent up to now is 287.1 secs Computing kpt #: 231 total cpu time spent up to now is 288.4 secs Computing kpt #: 232 total cpu time spent up to now is 289.7 secs Computing kpt #: 233 total cpu time spent up to now is 291.0 secs Computing kpt #: 234 total cpu time spent up to now is 292.2 secs Computing kpt #: 235 total cpu time spent up to now is 293.6 secs Computing kpt #: 236 total cpu time spent up to now is 294.9 secs Computing kpt #: 237 total cpu time spent up to now is 296.2 secs Computing kpt #: 238 total cpu time spent up to now is 297.4 secs Computing kpt #: 239 total cpu time spent up to now is 298.6 secs Computing kpt #: 240 total cpu time spent up to now is 299.8 secs Computing kpt #: 241 total cpu time spent up to now is 301.0 secs Computing kpt #: 242 total cpu time spent up to now is 302.8 secs Computing kpt #: 243 total cpu time spent up to now is 304.1 secs Computing kpt #: 244 total cpu time spent up to now is 305.4 secs Computing kpt #: 245 total cpu time spent up to now is 306.7 secs Computing kpt #: 246 total cpu time spent up to now is 307.8 secs Computing kpt #: 247 total cpu time spent up to now is 308.6 secs Computing kpt #: 248 total cpu time spent up to now is 309.7 secs Computing kpt #: 249 total cpu time spent up to now is 310.8 secs Computing kpt #: 250 total cpu time spent up to now is 312.0 secs Computing kpt #: 251 total cpu time spent up to now is 313.4 secs Computing kpt #: 252 total cpu time spent up to now is 314.4 secs Computing kpt #: 253 total cpu time spent up to now is 315.5 secs Computing kpt #: 254 total cpu time spent up to now is 316.5 secs Computing kpt #: 255 total cpu time spent up to now is 317.6 secs Computing kpt #: 256 total cpu time spent up to now is 318.5 secs Computing kpt #: 257 total cpu time spent up to now is 319.5 secs Computing kpt #: 258 total cpu time spent up to now is 320.6 secs Computing kpt #: 259 total cpu time spent up to now is 321.7 secs Computing kpt #: 260 total cpu time spent up to now is 322.8 secs Computing kpt #: 261 total cpu time spent up to now is 323.9 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.8 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.6 secs Computing kpt #: 264 total cpu time spent up to now is 329.1 secs Computing kpt #: 265 total cpu time spent up to now is 330.3 secs Computing kpt #: 266 total cpu time spent up to now is 331.5 secs Computing kpt #: 267 total cpu time spent up to now is 332.6 secs Computing kpt #: 268 total cpu time spent up to now is 333.7 secs Computing kpt #: 269 total cpu time spent up to now is 334.7 secs Computing kpt #: 270 total cpu time spent up to now is 335.7 secs Computing kpt #: 271 total cpu time spent up to now is 336.7 secs Computing kpt #: 272 total cpu time spent up to now is 337.7 secs Computing kpt #: 273 total cpu time spent up to now is 338.7 secs Computing kpt #: 274 total cpu time spent up to now is 339.8 secs Computing kpt #: 275 total cpu time spent up to now is 340.7 secs Computing kpt #: 276 total cpu time spent up to now is 341.8 secs Computing kpt #: 277 total cpu time spent up to now is 343.0 secs Computing kpt #: 278 total cpu time spent up to now is 344.0 secs Computing kpt #: 279 total cpu time spent up to now is 345.1 secs Computing kpt #: 280 total cpu time spent up to now is 346.0 secs Computing kpt #: 281 total cpu time spent up to now is 347.0 secs Computing kpt #: 282 total cpu time spent up to now is 348.3 secs Computing kpt #: 283 total cpu time spent up to now is 349.3 secs Computing kpt #: 284 total cpu time spent up to now is 350.3 secs Computing kpt #: 285 total cpu time spent up to now is 351.4 secs Computing kpt #: 286 total cpu time spent up to now is 352.5 secs Computing kpt #: 287 total cpu time spent up to now is 353.6 secs Computing kpt #: 288 total cpu time spent up to now is 354.6 secs Computing kpt #: 289 total cpu time spent up to now is 355.8 secs Computing kpt #: 290 total cpu time spent up to now is 357.5 secs Computing kpt #: 291 total cpu time spent up to now is 359.1 secs Computing kpt #: 292 total cpu time spent up to now is 360.4 secs Computing kpt #: 293 total cpu time spent up to now is 362.1 secs Computing kpt #: 294 total cpu time spent up to now is 363.2 secs Computing kpt #: 295 total cpu time spent up to now is 364.5 secs Computing kpt #: 296 total cpu time spent up to now is 365.6 secs Computing kpt #: 297 total cpu time spent up to now is 366.9 secs Computing kpt #: 298 total cpu time spent up to now is 368.0 secs Computing kpt #: 299 total cpu time spent up to now is 369.2 secs Computing kpt #: 300 total cpu time spent up to now is 370.8 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 372.7 secs Computing kpt #: 302 total cpu time spent up to now is 373.8 secs Computing kpt #: 303 total cpu time spent up to now is 375.0 secs ethr = 1.92E-08, avg # of iterations = 63.3 total cpu time spent up to now is 375.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4671 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5168 -14.5168 -14.4947 -14.4947 -14.1617 -14.1617 -14.1246 -14.1246 -14.1084 -14.1084 -14.1023 -14.1023 -2.1065 -2.1065 -1.4818 -1.4818 0.2227 0.2227 0.2414 0.2414 0.3786 0.3786 0.4563 0.4563 0.5309 0.5309 0.5510 0.5510 0.6866 0.6866 0.7159 0.7159 0.7353 0.7353 0.9089 0.9089 3.8704 3.8704 7.3783 7.3783 7.4757 7.4757 7.6659 7.6659 8.4505 8.4505 8.5949 8.5949 8.7776 8.7776 8.8800 8.8800 9.2943 9.2943 9.6443 9.6443 9.6677 9.6677 k = 0.0116 0.0067-0.0000 ( 4671 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5168 -14.5168 -14.4947 -14.4947 -14.1617 -14.1617 -14.1246 -14.1246 -14.1085 -14.1085 -14.1024 -14.1024 -2.1053 -2.1053 -1.4810 -1.4810 0.2229 0.2229 0.2414 0.2414 0.3786 0.3786 0.4561 0.4561 0.5311 0.5311 0.5511 0.5511 0.6866 0.6866 0.7158 0.7158 0.7354 0.7354 0.9089 0.9089 3.8722 3.8722 7.3664 7.3664 7.4648 7.4648 7.6657 7.6657 8.4210 8.4210 8.5637 8.5637 8.7981 8.7981 8.8905 8.8905 9.3228 9.3228 9.6579 9.6579 9.6794 9.6794 k = 0.0233 0.0134-0.0000 ( 4683 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5169 -14.5169 -14.4948 -14.4948 -14.1617 -14.1617 -14.1247 -14.1247 -14.1087 -14.1087 -14.1025 -14.1025 -2.1014 -2.1014 -1.4786 -1.4786 0.2232 0.2232 0.2416 0.2416 0.3786 0.3786 0.4557 0.4557 0.5316 0.5316 0.5514 0.5514 0.6866 0.6866 0.7155 0.7155 0.7356 0.7356 0.9091 0.9091 3.8775 3.8775 7.3230 7.3230 7.4432 7.4432 7.6652 7.6652 8.3286 8.3286 8.5048 8.5048 8.8558 8.8558 8.9070 8.9070 9.3870 9.3870 9.7007 9.7007 9.7175 9.7175 k = 0.0349 0.0201-0.0000 ( 4679 PWs) bands (ev): -33.2375 -33.2375 -33.2346 -33.2346 -14.5169 -14.5169 -14.4949 -14.4949 -14.1617 -14.1617 -14.1247 -14.1247 -14.1089 -14.1089 -14.1027 -14.1027 -2.0951 -2.0951 -1.4745 -1.4745 0.2238 0.2238 0.2419 0.2419 0.3786 0.3786 0.4550 0.4550 0.5327 0.5327 0.5518 0.5518 0.6866 0.6866 0.7150 0.7150 0.7359 0.7359 0.9093 0.9093 3.8865 3.8865 7.2428 7.2428 7.4248 7.4248 7.6641 7.6641 8.1894 8.1894 8.4427 8.4427 8.9192 8.9192 8.9417 8.9417 9.4476 9.4476 9.7619 9.7619 9.8028 9.8028 k = 0.0465 0.0269-0.0000 ( 4677 PWs) bands (ev): -33.2375 -33.2375 -33.2346 -33.2346 -14.5170 -14.5170 -14.4951 -14.4951 -14.1618 -14.1618 -14.1248 -14.1248 -14.1092 -14.1092 -14.1030 -14.1030 -2.0862 -2.0862 -1.4689 -1.4689 0.2246 0.2246 0.2423 0.2423 0.3787 0.3787 0.4541 0.4541 0.5342 0.5342 0.5524 0.5524 0.6866 0.6866 0.7144 0.7144 0.7364 0.7364 0.9097 0.9097 3.8990 3.8990 7.1353 7.1353 7.4090 7.4090 7.6623 7.6623 8.0283 8.0283 8.3747 8.3747 8.9278 8.9278 9.0449 9.0449 9.4895 9.4895 9.8342 9.8342 9.9362 9.9362 k = 0.0581 0.0336-0.0000 ( 4669 PWs) bands (ev): -33.2375 -33.2375 -33.2346 -33.2346 -14.5170 -14.5170 -14.4953 -14.4953 -14.1618 -14.1618 -14.1249 -14.1249 -14.1096 -14.1096 -14.1033 -14.1033 -2.0747 -2.0747 -1.4617 -1.4617 0.2258 0.2258 0.2428 0.2428 0.3787 0.3787 0.4530 0.4530 0.5360 0.5360 0.5532 0.5532 0.6865 0.6865 0.7136 0.7136 0.7370 0.7370 0.9102 0.9102 3.9151 3.9151 7.0105 7.0105 7.3928 7.3928 7.6581 7.6581 7.8590 7.8590 8.3003 8.3003 8.9343 8.9343 9.1549 9.1549 9.5224 9.5224 9.9180 9.9180 10.0973 10.0973 k = 0.0698 0.0403-0.0000 ( 4669 PWs) bands (ev): -33.2374 -33.2374 -33.2345 -33.2345 -14.5172 -14.5172 -14.4955 -14.4955 -14.1619 -14.1619 -14.1250 -14.1250 -14.1100 -14.1100 -14.1037 -14.1037 -2.0608 -2.0608 -1.4529 -1.4529 0.2271 0.2271 0.2434 0.2434 0.3788 0.3788 0.4517 0.4517 0.5382 0.5382 0.5542 0.5542 0.6865 0.6865 0.7127 0.7127 0.7377 0.7377 0.9107 0.9107 3.9346 3.9346 6.8746 6.8746 7.3749 7.3749 7.6320 7.6320 7.7065 7.7065 8.2208 8.2208 8.9396 8.9396 9.2581 9.2581 9.5619 9.5619 10.0108 10.0108 10.2722 10.2722 k = 0.0814 0.0470-0.0000 ( 4667 PWs) bands (ev): -33.2374 -33.2374 -33.2345 -33.2345 -14.5173 -14.5173 -14.4958 -14.4958 -14.1620 -14.1620 -14.1251 -14.1251 -14.1106 -14.1106 -14.1042 -14.1042 -2.0445 -2.0445 -1.4426 -1.4426 0.2287 0.2287 0.2441 0.2441 0.3788 0.3788 0.4502 0.4502 0.5406 0.5406 0.5553 0.5553 0.6864 0.6864 0.7117 0.7117 0.7385 0.7385 0.9114 0.9114 3.9576 3.9576 6.7315 6.7315 7.3548 7.3548 7.4875 7.4875 7.6700 7.6700 8.1380 8.1380 8.9438 8.9438 9.3377 9.3377 9.6253 9.6253 10.1099 10.1099 10.2866 10.2866 k = 0.0930 0.0537-0.0000 ( 4663 PWs) bands (ev): -33.2373 -33.2373 -33.2344 -33.2344 -14.5175 -14.5175 -14.4961 -14.4961 -14.1621 -14.1621 -14.1253 -14.1253 -14.1111 -14.1111 -14.1047 -14.1047 -2.0256 -2.0256 -1.4308 -1.4308 0.2305 0.2305 0.2450 0.2450 0.3789 0.3789 0.4487 0.4487 0.5434 0.5434 0.5567 0.5567 0.6864 0.6864 0.7106 0.7106 0.7394 0.7394 0.9123 0.9123 3.9841 3.9841 6.5836 6.5836 7.3112 7.3112 7.3327 7.3327 7.6642 7.6642 8.0533 8.0533 8.9465 8.9465 9.3852 9.3852 9.7200 9.7200 10.2045 10.2045 10.2220 10.2220 k = 0.1047 0.0604-0.0000 ( 4659 PWs) bands (ev): -33.2373 -33.2373 -33.2344 -33.2344 -14.5177 -14.5177 -14.4965 -14.4965 -14.1622 -14.1622 -14.1255 -14.1255 -14.1118 -14.1118 -14.1054 -14.1054 -2.0044 -2.0044 -1.4175 -1.4175 0.2326 0.2326 0.2459 0.2459 0.3790 0.3790 0.4470 0.4470 0.5465 0.5465 0.5582 0.5582 0.6863 0.6863 0.7094 0.7094 0.7404 0.7404 0.9133 0.9133 4.0139 4.0139 6.4324 6.4324 7.1329 7.1329 7.3082 7.3082 7.6603 7.6603 7.9678 7.9678 8.9474 8.9474 9.4096 9.4096 9.8350 9.8350 10.1336 10.1336 10.3219 10.3219 k = 0.1163 0.0671-0.0000 ( 4651 PWs) bands (ev): -33.2372 -33.2372 -33.2343 -33.2343 -14.5179 -14.5179 -14.4968 -14.4968 -14.1623 -14.1623 -14.1257 -14.1257 -14.1124 -14.1124 -14.1061 -14.1061 -1.9809 -1.9809 -1.4027 -1.4027 0.2349 0.2349 0.2470 0.2470 0.3791 0.3791 0.4453 0.4453 0.5498 0.5498 0.5600 0.5600 0.6862 0.6862 0.7082 0.7082 0.7416 0.7416 0.9144 0.9144 4.0471 4.0471 6.2792 6.2792 6.9548 6.9548 7.2817 7.2817 7.6562 7.6562 7.8828 7.8828 8.9457 8.9457 9.4227 9.4227 9.9563 9.9563 10.0523 10.0523 10.4310 10.4310 k = 0.1279 0.0738-0.0000 ( 4651 PWs) bands (ev): -33.2371 -33.2371 -33.2343 -33.2343 -14.5181 -14.5181 -14.4973 -14.4973 -14.1625 -14.1625 -14.1260 -14.1260 -14.1132 -14.1132 -14.1068 -14.1068 -1.9550 -1.9550 -1.3866 -1.3866 0.2374 0.2374 0.2482 0.2482 0.3793 0.3793 0.4436 0.4436 0.5533 0.5533 0.5620 0.5620 0.6862 0.6862 0.7068 0.7068 0.7428 0.7428 0.9158 0.9158 4.0835 4.0835 6.1246 6.1246 6.7779 6.7779 7.2533 7.2533 7.6502 7.6502 7.8000 7.8000 8.9408 8.9408 9.4309 9.4309 9.9687 9.9687 10.0746 10.0746 10.5413 10.5413 k = 0.1395 0.0806-0.0000 ( 4663 PWs) bands (ev): -33.2370 -33.2370 -33.2342 -33.2342 -14.5184 -14.5184 -14.4978 -14.4978 -14.1627 -14.1627 -14.1263 -14.1263 -14.1140 -14.1140 -14.1076 -14.1076 -1.9269 -1.9269 -1.3692 -1.3692 0.2401 0.2401 0.2495 0.2495 0.3794 0.3794 0.4418 0.4418 0.5569 0.5569 0.5641 0.5641 0.6860 0.6860 0.7054 0.7054 0.7441 0.7441 0.9173 0.9173 4.1232 4.1232 5.9692 5.9692 6.6025 6.6025 7.2232 7.2232 7.6372 7.6372 7.7248 7.7248 8.9318 8.9318 9.4377 9.4377 9.8837 9.8837 10.1829 10.1829 10.6516 10.6516 k = 0.1512 0.0873-0.0000 ( 4663 PWs) bands (ev): -33.2369 -33.2369 -33.2341 -33.2341 -14.5187 -14.5187 -14.4983 -14.4983 -14.1628 -14.1628 -14.1267 -14.1267 -14.1147 -14.1147 -14.1085 -14.1085 -1.8966 -1.8966 -1.3505 -1.3505 0.2430 0.2430 0.2510 0.2510 0.3796 0.3796 0.4402 0.4402 0.5607 0.5607 0.5667 0.5667 0.6859 0.6859 0.7041 0.7041 0.7455 0.7455 0.9191 0.9191 4.1660 4.1660 5.8135 5.8135 6.4291 6.4291 7.1915 7.1915 7.5968 7.5968 7.6778 7.6778 8.9181 8.9181 9.4449 9.4449 9.7979 9.7979 10.2764 10.2764 10.7609 10.7610 k = 0.1628 0.0940-0.0000 ( 4657 PWs) bands (ev): -33.2369 -33.2369 -33.2340 -33.2340 -14.5189 -14.5189 -14.4989 -14.4989 -14.1630 -14.1630 -14.1271 -14.1271 -14.1155 -14.1155 -14.1093 -14.1093 -1.8642 -1.8642 -1.3306 -1.3306 0.2462 0.2462 0.2526 0.2526 0.3798 0.3798 0.4385 0.4385 0.5646 0.5646 0.5695 0.5695 0.6858 0.6858 0.7028 0.7028 0.7471 0.7471 0.9211 0.9211 4.2118 4.2118 5.6578 5.6578 6.2578 6.2578 7.1584 7.1584 7.5267 7.5267 7.6618 7.6618 8.8993 8.8993 9.4536 9.4536 9.7120 9.7120 10.3520 10.3520 10.8128 10.8129 k = 0.1744 0.1007-0.0000 ( 4649 PWs) bands (ev): -33.2368 -33.2368 -33.2339 -33.2339 -14.5192 -14.5192 -14.4994 -14.4994 -14.1632 -14.1632 -14.1276 -14.1276 -14.1162 -14.1162 -14.1102 -14.1102 -1.8298 -1.8298 -1.3096 -1.3096 0.2495 0.2495 0.2545 0.2545 0.3801 0.3801 0.4370 0.4370 0.5685 0.5685 0.5728 0.5728 0.6857 0.6857 0.7014 0.7014 0.7487 0.7487 0.9234 0.9234 4.2607 4.2607 5.5025 5.5025 6.0889 6.0889 7.1241 7.1241 7.4496 7.4496 7.6540 7.6540 8.8753 8.8753 9.4644 9.4644 9.6265 9.6265 10.4101 10.4101 10.8473 10.8474 k = 0.1860 0.1074-0.0000 ( 4649 PWs) bands (ev): -33.2367 -33.2367 -33.2338 -33.2338 -14.5196 -14.5196 -14.5000 -14.5000 -14.1634 -14.1634 -14.1282 -14.1282 -14.1170 -14.1170 -14.1111 -14.1111 -1.7934 -1.7934 -1.2876 -1.2876 0.2530 0.2530 0.2565 0.2565 0.3804 0.3804 0.4356 0.4356 0.5723 0.5723 0.5766 0.5766 0.6856 0.6856 0.7001 0.7001 0.7505 0.7505 0.9260 0.9260 4.3124 4.3124 5.3478 5.3478 5.9225 5.9225 7.0887 7.0887 7.3724 7.3724 7.6477 7.6477 8.8462 8.8462 9.4774 9.4774 9.5418 9.5418 10.4540 10.4540 10.8840 10.8840 k = 0.1977 0.1141-0.0000 ( 4645 PWs) bands (ev): -33.2366 -33.2366 -33.2337 -33.2337 -14.5199 -14.5199 -14.5006 -14.5006 -14.1635 -14.1635 -14.1289 -14.1289 -14.1177 -14.1177 -14.1121 -14.1121 -1.7552 -1.7552 -1.2646 -1.2646 0.2566 0.2566 0.2590 0.2590 0.3808 0.3808 0.4342 0.4342 0.5760 0.5760 0.5808 0.5808 0.6855 0.6855 0.6989 0.6989 0.7524 0.7524 0.9290 0.9290 4.3670 4.3670 5.1939 5.1939 5.7587 5.7587 7.0524 7.0524 7.2967 7.2967 7.6414 7.6414 8.8125 8.8125 9.4578 9.4578 9.4933 9.4933 10.4883 10.4883 10.9226 10.9226 k = 0.2093 0.1208-0.0000 ( 4647 PWs) bands (ev): -33.2365 -33.2365 -33.2337 -33.2337 -14.5202 -14.5202 -14.5013 -14.5013 -14.1638 -14.1638 -14.1296 -14.1296 -14.1183 -14.1183 -14.1131 -14.1131 -1.7153 -1.7153 -1.2408 -1.2408 0.2599 0.2599 0.2620 0.2620 0.3812 0.3812 0.4331 0.4331 0.5798 0.5798 0.5854 0.5854 0.6854 0.6854 0.6978 0.6978 0.7545 0.7545 0.9323 0.9323 4.4243 4.4243 5.0410 5.0410 5.5978 5.5978 7.0152 7.0152 7.2232 7.2232 7.6346 7.6346 8.7747 8.7747 9.3758 9.3758 9.5106 9.5106 10.5175 10.5175 10.9631 10.9631 k = 0.2209 0.1276-0.0000 ( 4647 PWs) bands (ev): -33.2364 -33.2364 -33.2336 -33.2336 -14.5206 -14.5206 -14.5019 -14.5019 -14.1640 -14.1640 -14.1304 -14.1304 -14.1189 -14.1189 -14.1140 -14.1140 -1.6738 -1.6738 -1.2163 -1.2163 0.2629 0.2629 0.2657 0.2657 0.3817 0.3817 0.4321 0.4321 0.5836 0.5836 0.5902 0.5902 0.6852 0.6852 0.6968 0.6968 0.7568 0.7568 0.9361 0.9361 4.4842 4.4842 4.8895 4.8895 5.4398 5.4398 6.9771 6.9771 7.1523 7.1523 7.6268 7.6268 8.7336 8.7336 9.2956 9.2956 9.5297 9.5297 10.5451 10.5451 11.0055 11.0055 k = 0.2326 0.1343-0.0000 ( 4653 PWs) bands (ev): -33.2363 -33.2363 -33.2335 -33.2335 -14.5209 -14.5209 -14.5026 -14.5026 -14.1642 -14.1642 -14.1314 -14.1314 -14.1194 -14.1194 -14.1150 -14.1150 -1.6309 -1.6309 -1.1912 -1.1912 0.2659 0.2659 0.2698 0.2698 0.3823 0.3823 0.4313 0.4313 0.5877 0.5877 0.5952 0.5952 0.6851 0.6851 0.6958 0.6958 0.7592 0.7592 0.9403 0.9403 4.5463 4.5463 4.7396 4.7396 5.2849 5.2849 6.9380 6.9380 7.0846 7.0846 7.6178 7.6178 8.6898 8.6898 9.2176 9.2176 9.5502 9.5502 10.5733 10.5733 11.0494 11.0494 k = 0.2442 0.1410-0.0000 ( 4651 PWs) bands (ev): -33.2362 -33.2362 -33.2334 -33.2334 -14.5213 -14.5213 -14.5033 -14.5033 -14.1645 -14.1645 -14.1323 -14.1323 -14.1199 -14.1199 -14.1160 -14.1160 -1.5867 -1.5867 -1.1656 -1.1656 0.2690 0.2690 0.2741 0.2741 0.3830 0.3830 0.4307 0.4307 0.5919 0.5919 0.6003 0.6003 0.6849 0.6849 0.6951 0.6951 0.7619 0.7619 0.9450 0.9450 4.5846 4.5846 4.6176 4.6176 5.1332 5.1332 6.8976 6.8976 7.0207 7.0207 7.6072 7.6072 8.6443 8.6443 9.1420 9.1420 9.5717 9.5717 10.6038 10.6038 11.0948 11.0948 k = 0.2558 0.1477-0.0000 ( 4649 PWs) bands (ev): -33.2361 -33.2361 -33.2333 -33.2333 -14.5217 -14.5217 -14.5040 -14.5040 -14.1647 -14.1647 -14.1333 -14.1333 -14.1203 -14.1203 -14.1169 -14.1169 -1.5414 -1.5414 -1.1396 -1.1396 0.2725 0.2725 0.2786 0.2786 0.3838 0.3838 0.4304 0.4304 0.5963 0.5963 0.6055 0.6055 0.6848 0.6848 0.6945 0.6945 0.7648 0.7648 0.9503 0.9503 4.4428 4.4428 4.6799 4.6799 4.9849 4.9849 6.8554 6.8554 6.9615 6.9615 7.5948 7.5948 8.5975 8.5975 9.0693 9.0693 9.5938 9.5938 10.6376 10.6376 11.1413 11.1413 k = 0.2674 0.1544-0.0000 ( 4659 PWs) bands (ev): -33.2360 -33.2360 -33.2332 -33.2332 -14.5221 -14.5221 -14.5047 -14.5047 -14.1650 -14.1650 -14.1344 -14.1344 -14.1207 -14.1207 -14.1178 -14.1178 -1.4951 -1.4951 -1.1135 -1.1135 0.2762 0.2762 0.2831 0.2831 0.3848 0.3848 0.4303 0.4303 0.6010 0.6010 0.6108 0.6108 0.6846 0.6846 0.6940 0.6940 0.7681 0.7681 0.9562 0.9562 4.2983 4.2983 4.7483 4.7483 4.8408 4.8408 6.8108 6.8108 6.9077 6.9077 7.5800 7.5800 8.5503 8.5503 8.9998 8.9998 9.6161 9.6161 10.6752 10.6752 11.1884 11.1884 k = 0.2791 0.1611-0.0000 ( 4655 PWs) bands (ev): -33.2359 -33.2359 -33.2331 -33.2331 -14.5224 -14.5224 -14.5054 -14.5054 -14.1653 -14.1653 -14.1355 -14.1355 -14.1210 -14.1210 -14.1188 -14.1188 -1.4482 -1.4482 -1.0873 -1.0873 0.2801 0.2801 0.2876 0.2876 0.3860 0.3860 0.4306 0.4306 0.6059 0.6059 0.6161 0.6161 0.6845 0.6845 0.6938 0.6938 0.7717 0.7717 0.9627 0.9627 4.1559 4.1559 4.6970 4.6970 4.8222 4.8222 6.7637 6.7637 6.8596 6.8596 7.5627 7.5627 8.5031 8.5031 8.9336 8.9336 9.6383 9.6383 10.7169 10.7169 11.2356 11.2356 k = 0.2907 0.1678-0.0000 ( 4655 PWs) bands (ev): -33.2358 -33.2358 -33.2330 -33.2330 -14.5228 -14.5228 -14.5061 -14.5061 -14.1655 -14.1655 -14.1366 -14.1366 -14.1213 -14.1213 -14.1197 -14.1197 -1.4007 -1.4007 -1.0613 -1.0613 0.2843 0.2843 0.2921 0.2921 0.3874 0.3874 0.4312 0.4312 0.6110 0.6110 0.6213 0.6213 0.6844 0.6844 0.6937 0.6937 0.7758 0.7758 0.9700 0.9700 4.0160 4.0160 4.5598 4.5598 4.8952 4.8952 6.7150 6.7150 6.8168 6.8168 7.5423 7.5423 8.4564 8.4564 8.8713 8.8713 9.6603 9.6603 10.7628 10.7628 11.2818 11.2818 k = 0.3023 0.1745-0.0000 ( 4655 PWs) bands (ev): -33.2357 -33.2357 -33.2329 -33.2329 -14.5232 -14.5232 -14.5067 -14.5067 -14.1658 -14.1658 -14.1376 -14.1376 -14.1216 -14.1216 -14.1205 -14.1205 -1.3531 -1.3531 -1.0355 -1.0355 0.2887 0.2887 0.2965 0.2965 0.3891 0.3891 0.4320 0.4320 0.6163 0.6163 0.6265 0.6265 0.6844 0.6844 0.6938 0.6938 0.7804 0.7804 0.9779 0.9779 3.8787 3.8787 4.4261 4.4261 4.9705 4.9705 6.6658 6.6658 6.7781 6.7781 7.5186 7.5186 8.4107 8.4107 8.8130 8.8130 9.6818 9.6818 10.8129 10.8129 11.3254 11.3254 k = 0.3140 0.1813-0.0000 ( 4667 PWs) bands (ev): -33.2356 -33.2356 -33.2328 -33.2328 -14.5236 -14.5236 -14.5074 -14.5074 -14.1661 -14.1661 -14.1388 -14.1388 -14.1219 -14.1219 -14.1213 -14.1213 -1.3056 -1.3056 -1.0103 -1.0103 0.2933 0.2933 0.3008 0.3008 0.3912 0.3912 0.4332 0.4332 0.6218 0.6218 0.6315 0.6315 0.6846 0.6846 0.6940 0.6940 0.7858 0.7858 0.9867 0.9867 3.7445 3.7445 4.2964 4.2964 5.0477 5.0477 6.6174 6.6174 6.7427 6.7427 7.4911 7.4911 8.3663 8.3663 8.7591 8.7591 9.7027 9.7027 10.8669 10.8669 11.3640 11.3640 k = 0.3256 0.1880-0.0000 ( 4667 PWs) bands (ev): -33.2355 -33.2355 -33.2327 -33.2327 -14.5239 -14.5239 -14.5081 -14.5081 -14.1663 -14.1663 -14.1398 -14.1398 -14.1223 -14.1223 -14.1219 -14.1219 -1.2584 -1.2584 -0.9857 -0.9857 0.2980 0.2980 0.3049 0.3049 0.3936 0.3936 0.4346 0.4346 0.6275 0.6275 0.6364 0.6364 0.6849 0.6849 0.6943 0.6943 0.7919 0.7919 0.9962 0.9962 3.6137 3.6137 4.1710 4.1710 5.1264 5.1264 6.5706 6.5706 6.7098 6.7098 7.4596 7.4596 8.3235 8.3235 8.7096 8.7096 9.7227 9.7227 10.9247 10.9247 11.3947 11.3947 k = 0.3372 0.1947-0.0000 ( 4673 PWs) bands (ev): -33.2354 -33.2354 -33.2326 -33.2326 -14.5243 -14.5243 -14.5087 -14.5087 -14.1666 -14.1666 -14.1409 -14.1409 -14.1230 -14.1230 -14.1222 -14.1222 -1.2118 -1.2118 -0.9618 -0.9618 0.3027 0.3027 0.3087 0.3087 0.3965 0.3965 0.4364 0.4364 0.6332 0.6332 0.6411 0.6411 0.6853 0.6853 0.6948 0.6948 0.7991 0.7991 1.0065 1.0065 3.4865 3.4865 4.0501 4.0501 5.2064 5.2064 6.5258 6.5258 6.6791 6.6791 7.4238 7.4238 8.2826 8.2826 8.6649 8.6649 9.7419 9.7419 10.9859 10.9859 11.4158 11.4158 k = 0.3488 0.2014-0.0000 ( 4665 PWs) bands (ev): -33.2353 -33.2353 -33.2325 -33.2325 -14.5246 -14.5246 -14.5093 -14.5093 -14.1669 -14.1669 -14.1419 -14.1419 -14.1236 -14.1236 -14.1223 -14.1223 -1.1663 -1.1663 -0.9390 -0.9390 0.3074 0.3074 0.3123 0.3123 0.4000 0.4000 0.4384 0.4384 0.6390 0.6390 0.6455 0.6455 0.6860 0.6860 0.6954 0.6954 0.8075 0.8075 1.0174 1.0174 3.3633 3.3633 3.9340 3.9340 5.2877 5.2877 6.4835 6.4835 6.6506 6.6506 7.3837 7.3837 8.2439 8.2439 8.6248 8.6248 9.7602 9.7602 11.0502 11.0502 11.4281 11.4281 k = 0.3605 0.2081-0.0000 ( 4667 PWs) bands (ev): -33.2352 -33.2352 -33.2324 -33.2324 -14.5249 -14.5249 -14.5099 -14.5099 -14.1671 -14.1671 -14.1428 -14.1428 -14.1243 -14.1243 -14.1225 -14.1225 -1.1222 -1.1222 -0.9173 -0.9173 0.3118 0.3118 0.3156 0.3156 0.4039 0.4039 0.4406 0.4406 0.6446 0.6446 0.6496 0.6496 0.6870 0.6870 0.6961 0.6961 0.8174 0.8174 1.0289 1.0289 3.2446 3.2446 3.8231 3.8231 5.3700 5.3700 6.4439 6.4439 6.6240 6.6240 7.3392 7.3392 8.2074 8.2074 8.5893 8.5893 9.7773 9.7773 11.1170 11.1170 11.4340 11.4340 k = 0.3721 0.2148-0.0000 ( 4657 PWs) bands (ev): -33.2351 -33.2351 -33.2324 -33.2324 -14.5252 -14.5252 -14.5104 -14.5104 -14.1673 -14.1673 -14.1437 -14.1437 -14.1249 -14.1249 -14.1226 -14.1226 -1.0798 -1.0798 -0.8970 -0.8970 0.3158 0.3158 0.3188 0.3188 0.4083 0.4083 0.4429 0.4429 0.6499 0.6499 0.6534 0.6534 0.6882 0.6882 0.6969 0.6969 0.8290 0.8290 1.0407 1.0407 3.1309 3.1309 3.7177 3.7177 5.4530 5.4530 6.4071 6.4071 6.5993 6.5993 7.2905 7.2905 8.1734 8.1734 8.5584 8.5584 9.7934 9.7934 11.1858 11.1858 11.4359 11.4359 k = 0.3837 0.2215-0.0000 ( 4659 PWs) bands (ev): -33.2351 -33.2351 -33.2323 -33.2323 -14.5255 -14.5255 -14.5109 -14.5109 -14.1676 -14.1676 -14.1446 -14.1446 -14.1254 -14.1254 -14.1227 -14.1227 -1.0395 -1.0395 -0.8782 -0.8782 0.3191 0.3191 0.3218 0.3218 0.4132 0.4132 0.4453 0.4453 0.6545 0.6545 0.6572 0.6572 0.6897 0.6897 0.6978 0.6978 0.8426 0.8426 1.0526 1.0526 3.0226 3.0226 3.6182 3.6182 5.5364 5.5364 6.3732 6.3732 6.5767 6.5767 7.2377 7.2377 8.1421 8.1421 8.5316 8.5316 9.8083 9.8083 11.2558 11.2558 11.4356 11.4356 k = 0.3953 0.2283-0.0000 ( 4653 PWs) bands (ev): -33.2350 -33.2350 -33.2322 -33.2322 -14.5257 -14.5257 -14.5114 -14.5114 -14.1678 -14.1678 -14.1453 -14.1453 -14.1259 -14.1259 -14.1228 -14.1228 -1.0015 -1.0015 -0.8610 -0.8610 0.3218 0.3218 0.3249 0.3249 0.4183 0.4183 0.4477 0.4477 0.6579 0.6579 0.6613 0.6613 0.6914 0.6914 0.6987 0.6987 0.8584 0.8584 1.0641 1.0641 2.9206 2.9206 3.5252 3.5252 5.6201 5.6201 6.3423 6.3423 6.5560 6.5560 7.1814 7.1814 8.1134 8.1134 8.5088 8.5088 9.8220 9.8220 11.3260 11.3260 11.4339 11.4339 k = 0.4070 0.2350-0.0000 ( 4651 PWs) bands (ev): -33.2349 -33.2349 -33.2322 -33.2322 -14.5260 -14.5260 -14.5118 -14.5118 -14.1680 -14.1680 -14.1460 -14.1460 -14.1264 -14.1264 -14.1229 -14.1229 -0.9663 -0.9663 -0.8455 -0.8455 0.3238 0.3238 0.3279 0.3279 0.4237 0.4237 0.4500 0.4500 0.6604 0.6604 0.6653 0.6653 0.6933 0.6933 0.6997 0.6997 0.8764 0.8764 1.0748 1.0748 2.8254 2.8254 3.4392 3.4392 5.7034 5.7034 6.3145 6.3145 6.5375 6.5375 7.1219 7.1219 8.0876 8.0876 8.4895 8.4895 9.8344 9.8344 11.3951 11.3951 11.4319 11.4319 k = 0.4186 0.2417-0.0000 ( 4656 PWs) bands (ev): -33.2349 -33.2349 -33.2321 -33.2321 -14.5262 -14.5262 -14.5122 -14.5122 -14.1682 -14.1682 -14.1466 -14.1466 -14.1268 -14.1268 -14.1230 -14.1230 -0.9341 -0.9341 -0.8321 -0.8321 0.3253 0.3253 0.3304 0.3304 0.4289 0.4289 0.4521 0.4521 0.6623 0.6623 0.6689 0.6689 0.6952 0.6952 0.7007 0.7007 0.8966 0.8966 1.0841 1.0841 2.7380 2.7380 3.3607 3.3607 5.7860 5.7860 6.2899 6.2899 6.5210 6.5210 7.0599 7.0599 8.0646 8.0646 8.4735 8.4735 9.8455 9.8455 11.4284 11.4284 11.4632 11.4632 k = 0.4302 0.2484-0.0000 ( 4662 PWs) bands (ev): -33.2348 -33.2348 -33.2321 -33.2321 -14.5265 -14.5265 -14.5125 -14.5125 -14.1684 -14.1684 -14.1472 -14.1472 -14.1272 -14.1272 -14.1231 -14.1231 -0.9052 -0.9052 -0.8207 -0.8207 0.3266 0.3266 0.3327 0.3327 0.4341 0.4341 0.4539 0.4539 0.6638 0.6638 0.6719 0.6719 0.6970 0.6970 0.7017 0.7017 0.9188 0.9188 1.0914 1.0914 2.6592 2.6592 3.2906 3.2906 5.8671 5.8671 6.2685 6.2685 6.5066 6.5066 6.9962 6.9962 8.0446 8.0446 8.4604 8.4604 9.8553 9.8553 11.4262 11.4262 11.5258 11.5258 k = 0.4419 0.2551-0.0000 ( 4666 PWs) bands (ev): -33.2348 -33.2348 -33.2320 -33.2320 -14.5266 -14.5266 -14.5128 -14.5128 -14.1685 -14.1685 -14.1477 -14.1477 -14.1275 -14.1275 -14.1231 -14.1231 -0.8796 -0.8796 -0.8116 -0.8116 0.3276 0.3276 0.3345 0.3345 0.4388 0.4388 0.4555 0.4555 0.6650 0.6650 0.6744 0.6744 0.6987 0.6987 0.7027 0.7027 0.9425 0.9425 1.0959 1.0959 2.5900 2.5900 3.2294 3.2294 5.9458 5.9458 6.2503 6.2503 6.4945 6.4945 6.9320 6.9320 8.0276 8.0276 8.4498 8.4498 9.8636 9.8636 11.4239 11.4239 11.5612 11.5612 k = 0.4535 0.2618-0.0000 ( 4666 PWs) bands (ev): -33.2348 -33.2348 -33.2320 -33.2320 -14.5268 -14.5268 -14.5131 -14.5131 -14.1686 -14.1686 -14.1481 -14.1481 -14.1277 -14.1277 -14.1232 -14.1232 -0.8576 -0.8576 -0.8048 -0.8048 0.3283 0.3283 0.3360 0.3360 0.4430 0.4430 0.4567 0.4567 0.6659 0.6659 0.6763 0.6763 0.7002 0.7002 0.7036 0.7036 0.9673 0.9673 1.0969 1.0969 2.5316 2.5316 3.1780 3.1780 6.0203 6.0203 6.2353 6.2353 6.4846 6.4846 6.8690 6.8690 8.0136 8.0136 8.4416 8.4416 9.8705 9.8705 11.4218 11.4218 11.5503 11.5503 k = 0.4651 0.2685-0.0000 ( 4666 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5269 -14.5269 -14.5133 -14.5133 -14.1687 -14.1687 -14.1484 -14.1484 -14.1279 -14.1279 -14.1232 -14.1232 -0.8392 -0.8392 -0.8006 -0.8006 0.3289 0.3289 0.3371 0.3371 0.4467 0.4467 0.4575 0.4575 0.6665 0.6665 0.6778 0.6778 0.7014 0.7014 0.7043 0.7043 0.9922 0.9922 1.0939 1.0939 2.4848 2.4848 3.1371 3.1371 6.0883 6.0883 6.2237 6.2237 6.4770 6.4770 6.8098 6.8098 8.0027 8.0027 8.4355 8.4355 9.8758 9.8758 11.4202 11.4202 11.5415 11.5415 k = 0.4767 0.2752-0.0000 ( 4672 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5269 -14.5269 -14.5134 -14.5134 -14.1688 -14.1688 -14.1487 -14.1487 -14.1280 -14.1280 -14.1233 -14.1233 -0.8244 -0.8244 -0.7992 -0.7992 0.3292 0.3292 0.3379 0.3379 0.4495 0.4495 0.4579 0.4579 0.6670 0.6670 0.6788 0.6788 0.7022 0.7022 0.7049 0.7049 1.0164 1.0164 1.0865 1.0865 2.4507 2.4507 3.1073 3.1073 6.1454 6.1454 6.2152 6.2152 6.4718 6.4718 6.7588 6.7588 7.9949 7.9949 8.4312 8.4312 9.8797 9.8797 11.4189 11.4189 11.5353 11.5353 k = 0.4884 0.2820-0.0000 ( 4688 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5270 -14.5270 -14.5136 -14.5136 -14.1689 -14.1689 -14.1488 -14.1488 -14.1282 -14.1282 -14.1233 -14.1233 -0.8132 -0.8132 -0.8006 -0.8006 0.3294 0.3294 0.3383 0.3383 0.4513 0.4513 0.4579 0.4579 0.6672 0.6672 0.6794 0.6794 0.7027 0.7027 0.7052 0.7052 1.0387 1.0387 1.0747 1.0747 2.4299 2.4299 3.0892 3.0892 6.1854 6.1854 6.2098 6.2098 6.4689 6.4689 6.7226 6.7226 7.9902 7.9902 8.4287 8.4287 9.8820 9.8820 11.4182 11.4182 11.5317 11.5317 k = 0.5000 0.2887-0.0000 ( 4696 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5271 -14.5271 -14.5136 -14.5136 -14.1689 -14.1689 -14.1489 -14.1489 -14.1282 -14.1282 -14.1233 -14.1233 -0.8064 -0.8064 -0.8042 -0.8042 0.3294 0.3294 0.3385 0.3385 0.4520 0.4520 0.4579 0.4579 0.6672 0.6672 0.6796 0.6796 0.7029 0.7029 0.7053 0.7053 1.0562 1.0562 1.0609 1.0609 2.4229 2.4229 3.0831 3.0831 6.2015 6.2015 6.2064 6.2064 6.4680 6.4680 6.7091 6.7091 7.9887 7.9887 8.4278 8.4278 9.8828 9.8828 11.4180 11.4180 11.5305 11.5305 k = 0.5000 0.2887-0.0000 ( 4696 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5271 -14.5271 -14.5136 -14.5136 -14.1689 -14.1689 -14.1489 -14.1489 -14.1282 -14.1282 -14.1233 -14.1233 -0.8064 -0.8064 -0.8042 -0.8042 0.3294 0.3294 0.3385 0.3385 0.4520 0.4520 0.4579 0.4579 0.6672 0.6672 0.6796 0.6796 0.7029 0.7029 0.7053 0.7053 1.0562 1.0562 1.0609 1.0609 2.4229 2.4229 3.0831 3.0831 6.2015 6.2015 6.2064 6.2064 6.4680 6.4680 6.7091 6.7091 7.9887 7.9887 8.4278 8.4278 9.8828 9.8828 11.4180 11.4180 11.5305 11.5305 k = 0.4933 0.3002-0.0000 ( 4684 PWs) bands (ev): -33.2347 -33.2347 -33.2319 -33.2319 -14.5270 -14.5270 -14.5136 -14.5136 -14.1688 -14.1688 -14.1489 -14.1489 -14.1282 -14.1282 -14.1233 -14.1233 -0.8071 -0.8071 -0.8025 -0.8025 0.3294 0.3294 0.3385 0.3385 0.4455 0.4455 0.4645 0.4645 0.6673 0.6673 0.6796 0.6796 0.7024 0.7024 0.7057 0.7057 1.0524 1.0524 1.0657 1.0657 2.4239 2.4239 3.0828 3.0828 6.2001 6.2001 6.2029 6.2029 6.4487 6.4487 6.7097 6.7097 8.0088 8.0088 8.4294 8.4294 9.8906 9.8906 11.3494 11.3494 11.6001 11.6001 k = 0.4867 0.3118-0.0000 ( 4674 PWs) bands (ev): -33.2347 -33.2347 -33.2319 -33.2319 -14.5270 -14.5270 -14.5136 -14.5136 -14.1688 -14.1688 -14.1488 -14.1488 -14.1283 -14.1283 -14.1234 -14.1234 -0.8077 -0.8077 -0.7993 -0.7993 0.3293 0.3293 0.3387 0.3387 0.4368 0.4368 0.4734 0.4734 0.6672 0.6672 0.6796 0.6796 0.7014 0.7014 0.7063 0.7063 1.0481 1.0481 1.0734 1.0734 2.4270 2.4270 3.0819 3.0819 6.1840 6.1840 6.2042 6.2042 6.3940 6.3940 6.7115 6.7115 8.0663 8.0663 8.4340 8.4340 9.9136 9.9136 11.2457 11.2457 11.7083 11.7191 k = 0.4800 0.3233-0.0000 ( 4666 PWs) bands (ev): -33.2347 -33.2347 -33.2319 -33.2319 -14.5270 -14.5270 -14.5136 -14.5136 -14.1687 -14.1687 -14.1488 -14.1488 -14.1284 -14.1284 -14.1235 -14.1235 -0.8074 -0.8074 -0.7951 -0.7951 0.3290 0.3290 0.3389 0.3389 0.4281 0.4281 0.4824 0.4824 0.6670 0.6670 0.6796 0.6796 0.7001 0.7001 0.7069 0.7069 1.0448 1.0448 1.0821 1.0821 2.4321 2.4321 3.0804 3.0804 6.1571 6.1571 6.2059 6.2059 6.3120 6.3120 6.7144 6.7144 8.1539 8.1539 8.4417 8.4417 9.9511 9.9511 11.1394 11.1394 11.7479 11.7479 k = 0.4733 0.3349-0.0000 ( 4668 PWs) bands (ev): -33.2347 -33.2347 -33.2319 -33.2319 -14.5270 -14.5270 -14.5136 -14.5136 -14.1686 -14.1686 -14.1487 -14.1487 -14.1286 -14.1286 -14.1238 -14.1238 -0.8062 -0.8062 -0.7899 -0.7899 0.3286 0.3286 0.3392 0.3392 0.4195 0.4195 0.4914 0.4914 0.6668 0.6668 0.6796 0.6796 0.6986 0.6986 0.7072 0.7072 1.0426 1.0426 1.0919 1.0919 2.4393 2.4393 3.0781 3.0781 6.1207 6.1207 6.1874 6.1874 6.2310 6.2310 6.7185 6.7185 8.2636 8.2636 8.4525 8.4525 10.0021 10.0021 11.0337 11.0337 11.7686 11.7686 k = 0.4667 0.3464-0.0000 ( 4680 PWs) bands (ev): -33.2347 -33.2347 -33.2319 -33.2319 -14.5271 -14.5271 -14.5137 -14.5137 -14.1686 -14.1686 -14.1486 -14.1486 -14.1289 -14.1289 -14.1240 -14.1240 -0.8043 -0.8043 -0.7840 -0.7840 0.3282 0.3282 0.3395 0.3395 0.4111 0.4111 0.5003 0.5003 0.6665 0.6665 0.6795 0.6795 0.6971 0.6971 0.7074 0.7074 1.0416 1.0416 1.1025 1.1025 2.4484 2.4484 3.0752 3.0752 6.0732 6.0732 6.0839 6.0839 6.2252 6.2252 6.7236 6.7236 8.3875 8.3875 8.4674 8.4674 10.0652 10.0652 10.9292 10.9292 11.7933 11.7934 k = 0.4600 0.3580-0.0000 ( 4672 PWs) bands (ev): -33.2347 -33.2347 -33.2319 -33.2319 -14.5271 -14.5271 -14.5137 -14.5137 -14.1684 -14.1684 -14.1485 -14.1485 -14.1292 -14.1292 -14.1243 -14.1243 -0.8016 -0.8016 -0.7772 -0.7772 0.3277 0.3277 0.3399 0.3399 0.4030 0.4030 0.5091 0.5091 0.6662 0.6662 0.6795 0.6795 0.6956 0.6956 0.7073 0.7073 1.0417 1.0417 1.1140 1.1140 2.4595 2.4595 3.0715 3.0715 5.9542 5.9542 6.0250 6.0250 6.2319 6.2319 6.7297 6.7297 8.4780 8.4780 8.5289 8.5289 10.1386 10.1386 10.8264 10.8264 11.8045 11.8134 k = 0.4533 0.3695-0.0000 ( 4668 PWs) bands (ev): -33.2347 -33.2347 -33.2319 -33.2319 -14.5271 -14.5271 -14.5138 -14.5138 -14.1683 -14.1683 -14.1483 -14.1483 -14.1295 -14.1295 -14.1247 -14.1247 -0.7981 -0.7981 -0.7697 -0.7697 0.3272 0.3272 0.3402 0.3402 0.3951 0.3951 0.5178 0.5178 0.6659 0.6659 0.6794 0.6794 0.6940 0.6940 0.7071 0.7071 1.0430 1.0430 1.1263 1.1263 2.4724 2.4724 3.0668 3.0668 5.8218 5.8218 5.9676 5.9676 6.2410 6.2410 6.7366 6.7366 8.5000 8.5000 8.6682 8.6682 10.2206 10.2206 10.7253 10.7253 11.7679 11.7682 k = 0.4467 0.3811-0.0000 ( 4668 PWs) bands (ev): -33.2346 -33.2346 -33.2319 -33.2319 -14.5272 -14.5272 -14.5138 -14.5138 -14.1681 -14.1681 -14.1482 -14.1482 -14.1299 -14.1299 -14.1251 -14.1251 -0.7940 -0.7940 -0.7616 -0.7616 0.3267 0.3267 0.3406 0.3406 0.3876 0.3876 0.5264 0.5264 0.6654 0.6654 0.6793 0.6793 0.6925 0.6925 0.7066 0.7066 1.0455 1.0455 1.1392 1.1392 2.4872 2.4872 3.0613 3.0613 5.6863 5.6863 5.9060 5.9060 6.2519 6.2519 6.7441 6.7441 8.5228 8.5228 8.8133 8.8133 10.3091 10.3091 10.6261 10.6261 11.7341 11.7341 k = 0.4400 0.3926-0.0000 ( 4664 PWs) bands (ev): -33.2346 -33.2346 -33.2319 -33.2319 -14.5272 -14.5272 -14.5139 -14.5139 -14.1679 -14.1679 -14.1480 -14.1480 -14.1303 -14.1303 -14.1256 -14.1256 -0.7892 -0.7892 -0.7528 -0.7528 0.3262 0.3262 0.3409 0.3409 0.3804 0.3804 0.5348 0.5348 0.6650 0.6650 0.6792 0.6792 0.6910 0.6910 0.7060 0.7060 1.0491 1.0491 1.1528 1.1528 2.5037 2.5037 3.0546 3.0546 5.5500 5.5500 5.8417 5.8417 6.2644 6.2644 6.7521 6.7521 8.5481 8.5481 8.9603 8.9603 10.4020 10.4020 10.5290 10.5290 11.7006 11.7006 k = 0.4333 0.4041-0.0000 ( 4664 PWs) bands (ev): -33.2346 -33.2346 -33.2318 -33.2318 -14.5272 -14.5272 -14.5140 -14.5140 -14.1677 -14.1677 -14.1479 -14.1479 -14.1307 -14.1307 -14.1261 -14.1261 -0.7839 -0.7839 -0.7436 -0.7436 0.3257 0.3257 0.3412 0.3412 0.3736 0.3736 0.5430 0.5430 0.6645 0.6645 0.6790 0.6790 0.6895 0.6895 0.7052 0.7052 1.0537 1.0537 1.1669 1.1669 2.5218 2.5218 3.0468 3.0468 5.4144 5.4144 5.7758 5.7758 6.2784 6.2784 6.7603 6.7603 8.5761 8.5761 9.1076 9.1076 10.4328 10.4328 10.4980 10.4980 11.6686 11.6686 k = 0.4267 0.4157-0.0000 ( 4668 PWs) bands (ev): -33.2346 -33.2346 -33.2318 -33.2318 -14.5273 -14.5273 -14.5141 -14.5141 -14.1675 -14.1675 -14.1477 -14.1477 -14.1311 -14.1311 -14.1266 -14.1266 -0.7782 -0.7782 -0.7339 -0.7339 0.3252 0.3252 0.3414 0.3414 0.3673 0.3673 0.5509 0.5509 0.6640 0.6640 0.6787 0.6787 0.6882 0.6882 0.7041 0.7041 1.0594 1.0594 1.1814 1.1814 2.5413 2.5413 3.0377 3.0377 5.2808 5.2808 5.7096 5.7096 6.2939 6.2939 6.7684 6.7684 8.6068 8.6068 9.2539 9.2539 10.3400 10.3400 10.5925 10.5925 11.6396 11.6397 k = 0.4200 0.4272-0.0000 ( 4672 PWs) bands (ev): -33.2346 -33.2346 -33.2318 -33.2318 -14.5274 -14.5274 -14.5142 -14.5142 -14.1674 -14.1674 -14.1475 -14.1475 -14.1316 -14.1316 -14.1272 -14.1272 -0.7721 -0.7721 -0.7239 -0.7239 0.3247 0.3247 0.3415 0.3415 0.3614 0.3614 0.5587 0.5587 0.6635 0.6635 0.6784 0.6784 0.6870 0.6870 0.7029 0.7029 1.0660 1.0660 1.1963 1.1963 2.5620 2.5620 3.0273 3.0273 5.1502 5.1502 5.6442 5.6442 6.3109 6.3109 6.7762 6.7762 8.6401 8.6401 9.3982 9.3982 10.2490 10.2490 10.6842 10.6842 11.6254 11.6472 k = 0.4133 0.4388-0.0000 ( 4672 PWs) bands (ev): -33.2345 -33.2345 -33.2318 -33.2318 -14.5274 -14.5274 -14.5143 -14.5143 -14.1672 -14.1672 -14.1473 -14.1473 -14.1321 -14.1321 -14.1277 -14.1277 -0.7658 -0.7658 -0.7138 -0.7138 0.3243 0.3243 0.3417 0.3417 0.3560 0.3560 0.5662 0.5662 0.6629 0.6629 0.6780 0.6780 0.6860 0.6860 0.7016 0.7016 1.0734 1.0734 1.2114 1.2114 2.5838 2.5838 3.0155 3.0155 5.0235 5.0235 5.5804 5.5804 6.3294 6.3294 6.7832 6.7832 8.6760 8.6760 9.5398 9.5398 10.1601 10.1601 10.7696 10.7696 11.5693 11.5693 k = 0.4067 0.4503-0.0000 ( 4664 PWs) bands (ev): -33.2345 -33.2345 -33.2317 -33.2317 -14.5275 -14.5275 -14.5144 -14.5144 -14.1669 -14.1669 -14.1471 -14.1471 -14.1326 -14.1326 -14.1282 -14.1282 -0.7593 -0.7593 -0.7036 -0.7036 0.3239 0.3239 0.3417 0.3417 0.3511 0.3511 0.5735 0.5735 0.6625 0.6625 0.6776 0.6776 0.6851 0.6851 0.7002 0.7002 1.0817 1.0817 1.2267 1.2267 2.6063 2.6063 3.0022 3.0022 4.9019 4.9019 5.5194 5.5194 6.3494 6.3494 6.7892 6.7892 8.7144 8.7144 9.6780 9.6780 10.0737 10.0737 10.8451 10.8451 11.4859 11.4859 k = 0.4000 0.4619-0.0000 ( 4668 PWs) bands (ev): -33.2345 -33.2345 -33.2317 -33.2317 -14.5275 -14.5275 -14.5145 -14.5145 -14.1668 -14.1668 -14.1469 -14.1469 -14.1330 -14.1330 -14.1288 -14.1288 -0.7527 -0.7527 -0.6935 -0.6935 0.3236 0.3236 0.3417 0.3417 0.3468 0.3468 0.5804 0.5804 0.6620 0.6620 0.6770 0.6770 0.6844 0.6844 0.6986 0.6986 1.0905 1.0905 1.2418 1.2418 2.6293 2.6293 2.9875 2.9875 4.7861 4.7861 5.4617 5.4617 6.3708 6.3708 6.7936 6.7936 8.7551 8.7551 9.8115 9.8115 9.9907 9.9907 10.9069 10.9069 11.4049 11.4049 k = 0.3933 0.4734-0.0000 ( 4662 PWs) bands (ev): -33.2345 -33.2345 -33.2317 -33.2317 -14.5276 -14.5276 -14.5146 -14.5146 -14.1666 -14.1666 -14.1467 -14.1467 -14.1335 -14.1335 -14.1293 -14.1293 -0.7462 -0.7462 -0.6836 -0.6836 0.3233 0.3233 0.3416 0.3416 0.3430 0.3430 0.5869 0.5869 0.6616 0.6616 0.6765 0.6765 0.6838 0.6838 0.6970 0.6970 1.0998 1.0998 1.2567 1.2567 2.6523 2.6523 2.9714 2.9714 4.6772 4.6772 5.4081 5.4081 6.3937 6.3937 6.7962 6.7962 8.7982 8.7982 9.8948 9.8948 9.9562 9.9562 10.9522 10.9522 11.3275 11.3275 k = 0.3867 0.4850-0.0000 ( 4668 PWs) bands (ev): -33.2345 -33.2345 -33.2317 -33.2317 -14.5277 -14.5277 -14.5147 -14.5147 -14.1664 -14.1664 -14.1465 -14.1465 -14.1340 -14.1340 -14.1298 -14.1298 -0.7399 -0.7399 -0.6741 -0.6741 0.3230 0.3230 0.3396 0.3396 0.3415 0.3415 0.5931 0.5931 0.6613 0.6613 0.6759 0.6759 0.6833 0.6833 0.6953 0.6953 1.1095 1.1095 1.2712 1.2712 2.6749 2.6749 2.9540 2.9540 4.5761 4.5761 5.3591 5.3591 6.4180 6.4180 6.7964 6.7964 8.8433 8.8433 9.8229 9.8229 10.0753 10.0753 10.9801 10.9801 11.2550 11.2550 k = 0.3800 0.4965-0.0000 ( 4673 PWs) bands (ev): -33.2344 -33.2344 -33.2317 -33.2317 -14.5278 -14.5278 -14.5148 -14.5148 -14.1662 -14.1662 -14.1463 -14.1463 -14.1344 -14.1344 -14.1303 -14.1303 -0.7338 -0.7338 -0.6652 -0.6652 0.3228 0.3228 0.3369 0.3369 0.3412 0.3412 0.5987 0.5987 0.6611 0.6611 0.6754 0.6754 0.6829 0.6829 0.6936 0.6936 1.1193 1.1193 1.2850 1.2850 2.6966 2.6966 2.9355 2.9355 4.4840 4.4840 5.3153 5.3153 6.4438 6.4438 6.7937 6.7937 8.8906 8.8906 9.7459 9.7459 10.1977 10.1977 10.9924 10.9924 11.1882 11.1882 k = 0.3733 0.5081-0.0000 ( 4683 PWs) bands (ev): -33.2344 -33.2344 -33.2317 -33.2317 -14.5278 -14.5278 -14.5149 -14.5149 -14.1661 -14.1661 -14.1462 -14.1462 -14.1348 -14.1348 -14.1307 -14.1307 -0.7282 -0.7282 -0.6569 -0.6569 0.3226 0.3226 0.3347 0.3347 0.3409 0.3409 0.6038 0.6038 0.6611 0.6611 0.6749 0.6749 0.6826 0.6826 0.6919 0.6919 1.1290 1.1290 1.2980 1.2980 2.7171 2.7171 2.9162 2.9162 4.4018 4.4018 5.2770 5.2770 6.4709 6.4709 6.7878 6.7878 8.9397 8.9397 9.6707 9.6707 10.3166 10.3166 10.9924 10.9924 11.1283 11.1283 k = 0.3667 0.5196-0.0000 ( 4679 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5278 -14.5278 -14.5150 -14.5150 -14.1660 -14.1660 -14.1461 -14.1461 -14.1351 -14.1351 -14.1311 -14.1311 -0.7231 -0.7231 -0.6495 -0.6495 0.3225 0.3225 0.3332 0.3332 0.3404 0.3404 0.6082 0.6082 0.6614 0.6614 0.6744 0.6744 0.6823 0.6823 0.6902 0.6902 1.1383 1.1383 1.3098 1.3098 2.7358 2.7358 2.8966 2.8966 4.3307 4.3307 5.2444 5.2444 6.4995 6.4995 6.7782 6.7782 8.9907 8.9907 9.5977 9.5977 10.4313 10.4313 10.9835 10.9835 11.0761 11.0761 k = 0.3600 0.5312-0.0000 ( 4669 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5279 -14.5279 -14.5150 -14.5150 -14.1658 -14.1658 -14.1459 -14.1459 -14.1354 -14.1354 -14.1314 -14.1314 -0.7186 -0.7186 -0.6431 -0.6431 0.3225 0.3225 0.3321 0.3321 0.3400 0.3400 0.6119 0.6119 0.6619 0.6619 0.6740 0.6740 0.6822 0.6822 0.6886 0.6886 1.1469 1.1469 1.3201 1.3201 2.7524 2.7524 2.8772 2.8772 4.2715 4.2715 5.2178 5.2178 6.5294 6.5294 6.7645 6.7645 9.0434 9.0434 9.5271 9.5271 10.5417 10.5417 10.9689 10.9689 11.0323 11.0323 k = 0.3533 0.5427-0.0000 ( 4673 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5279 -14.5279 -14.5151 -14.5151 -14.1658 -14.1658 -14.1459 -14.1459 -14.1356 -14.1356 -14.1316 -14.1316 -0.7149 -0.7149 -0.6379 -0.6379 0.3224 0.3224 0.3314 0.3314 0.3394 0.3394 0.6147 0.6147 0.6627 0.6627 0.6736 0.6736 0.6821 0.6821 0.6870 0.6870 1.1544 1.1544 1.3285 1.3285 2.7667 2.7667 2.8587 2.8587 4.2252 4.2252 5.1972 5.1972 6.5606 6.5606 6.7464 6.7464 9.0976 9.0976 9.4588 9.4588 10.6468 10.6468 10.9506 10.9506 10.9976 10.9976 k = 0.3467 0.5543-0.0000 ( 4671 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5280 -14.5280 -14.5151 -14.5151 -14.1657 -14.1657 -14.1458 -14.1458 -14.1358 -14.1358 -14.1318 -14.1318 -0.7121 -0.7121 -0.6340 -0.6340 0.3224 0.3224 0.3312 0.3312 0.3389 0.3389 0.6168 0.6168 0.6635 0.6635 0.6732 0.6732 0.6821 0.6821 0.6857 0.6857 1.1604 1.1604 1.3349 1.3349 2.7785 2.7785 2.8421 2.8421 4.1921 4.1921 5.1826 5.1826 6.5932 6.5932 6.7234 6.7234 9.1534 9.1534 9.3931 9.3931 10.7445 10.7445 10.9308 10.9308 10.9724 10.9724 k = 0.3400 0.5658-0.0000 ( 4677 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5280 -14.5280 -14.5152 -14.5152 -14.1657 -14.1657 -14.1458 -14.1458 -14.1359 -14.1359 -14.1319 -14.1319 -0.7103 -0.7103 -0.6316 -0.6316 0.3224 0.3224 0.3312 0.3312 0.3384 0.3384 0.6180 0.6180 0.6642 0.6642 0.6730 0.6730 0.6823 0.6823 0.6847 0.6847 1.1643 1.1643 1.3388 1.3388 2.7872 2.7872 2.8293 2.8293 4.1725 4.1725 5.1739 5.1739 6.6270 6.6270 6.6955 6.6955 9.2106 9.2106 9.3299 9.3299 10.8273 10.8273 10.9122 10.9122 10.9572 10.9572 k = 0.3333 0.5774-0.0000 ( 4689 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5280 -14.5280 -14.5152 -14.5152 -14.1657 -14.1657 -14.1459 -14.1459 -14.1359 -14.1359 -14.1319 -14.1319 -0.7098 -0.7098 -0.6308 -0.6308 0.3224 0.3224 0.3313 0.3313 0.3382 0.3382 0.6183 0.6183 0.6645 0.6645 0.6728 0.6728 0.6824 0.6824 0.6842 0.6842 1.1657 1.1657 1.3402 1.3402 2.7907 2.7907 2.8240 2.8240 4.1661 4.1661 5.1711 5.1711 6.6596 6.6596 6.6649 6.6649 9.2688 9.2688 9.2697 9.2697 10.8637 10.8637 10.9062 10.9062 10.9521 10.9521 k = 0.3333 0.5774-0.0000 ( 4689 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5280 -14.5280 -14.5152 -14.5152 -14.1657 -14.1657 -14.1459 -14.1459 -14.1359 -14.1359 -14.1319 -14.1319 -0.7098 -0.7098 -0.6308 -0.6308 0.3224 0.3224 0.3313 0.3313 0.3382 0.3382 0.6183 0.6183 0.6645 0.6645 0.6728 0.6728 0.6824 0.6824 0.6842 0.6842 1.1657 1.1657 1.3402 1.3402 2.7907 2.7907 2.8240 2.8240 4.1661 4.1661 5.1711 5.1711 6.6596 6.6596 6.6649 6.6649 9.2688 9.2688 9.2697 9.2697 10.8637 10.8637 10.9062 10.9062 10.9521 10.9521 k = 0.3265 0.5656-0.0000 ( 4681 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5280 -14.5280 -14.5152 -14.5152 -14.1657 -14.1657 -14.1458 -14.1458 -14.1359 -14.1359 -14.1319 -14.1319 -0.7104 -0.7104 -0.6317 -0.6317 0.3224 0.3224 0.3311 0.3311 0.3385 0.3385 0.6180 0.6180 0.6641 0.6641 0.6730 0.6730 0.6822 0.6822 0.6847 0.6847 1.1641 1.1641 1.3387 1.3387 2.7883 2.7883 2.8290 2.8290 4.1725 4.1725 5.1740 5.1740 6.6230 6.6230 6.6994 6.6994 9.2101 9.2101 9.3305 9.3305 10.8467 10.8467 10.8875 10.8875 10.9573 10.9573 k = 0.3197 0.5538-0.0000 ( 4669 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5279 -14.5279 -14.5151 -14.5151 -14.1657 -14.1657 -14.1458 -14.1458 -14.1357 -14.1357 -14.1318 -14.1318 -0.7126 -0.7126 -0.6345 -0.6345 0.3224 0.3224 0.3305 0.3305 0.3395 0.3395 0.6169 0.6169 0.6631 0.6631 0.6733 0.6733 0.6819 0.6819 0.6860 0.6860 1.1588 1.1588 1.3345 1.3345 2.7853 2.7853 2.8411 2.8411 4.1911 4.1911 5.1826 5.1826 6.5785 6.5785 6.7376 6.7376 9.1537 9.1537 9.3933 9.3933 10.8069 10.8069 10.8498 10.8498 10.9730 10.9730 k = 0.3129 0.5420-0.0000 ( 4671 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5279 -14.5279 -14.5151 -14.5151 -14.1657 -14.1657 -14.1458 -14.1458 -14.1355 -14.1355 -14.1316 -14.1316 -0.7165 -0.7165 -0.6391 -0.6391 0.3224 0.3224 0.3294 0.3294 0.3410 0.3410 0.6152 0.6152 0.6614 0.6614 0.6736 0.6736 0.6817 0.6817 0.6876 0.6876 1.1495 1.1495 1.3274 1.3274 2.7858 2.7858 2.8583 2.8583 4.2209 4.2209 5.1966 5.1966 6.5288 6.5288 6.7770 6.7770 9.1003 9.1003 9.4575 9.4575 10.7449 10.7449 10.8225 10.8225 10.9989 10.9989 k = 0.3061 0.5302-0.0000 ( 4673 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5279 -14.5279 -14.5150 -14.5150 -14.1658 -14.1658 -14.1458 -14.1458 -14.1353 -14.1353 -14.1314 -14.1314 -0.7222 -0.7222 -0.6458 -0.6458 0.3224 0.3224 0.3279 0.3279 0.3430 0.3430 0.6128 0.6128 0.6592 0.6592 0.6739 0.6739 0.6815 0.6815 0.6895 0.6895 1.1362 1.1362 1.3178 1.3178 2.7915 2.7915 2.8809 2.8809 4.2606 4.2606 5.2158 5.2158 6.4740 6.4740 6.8174 6.8174 9.0498 9.0498 9.5234 9.5234 10.6742 10.6742 10.8004 10.8004 11.0344 11.0344 k = 0.2993 0.5184-0.0000 ( 4671 PWs) bands (ev): -33.2344 -33.2344 -33.2317 -33.2317 -14.5278 -14.5278 -14.5149 -14.5149 -14.1659 -14.1659 -14.1458 -14.1458 -14.1350 -14.1350 -14.1312 -14.1312 -0.7299 -0.7299 -0.6544 -0.6544 0.3224 0.3224 0.3262 0.3262 0.3453 0.3453 0.6097 0.6097 0.6567 0.6567 0.6742 0.6742 0.6814 0.6814 0.6913 0.6913 1.1189 1.1189 1.3057 1.3057 2.8032 2.8032 2.9094 2.9094 4.3091 4.3091 5.2400 5.2400 6.4146 6.4146 6.8588 6.8588 9.0023 9.0023 9.5908 9.5908 10.6007 10.6007 10.7804 10.7804 11.0789 11.0789 k = 0.2925 0.5067-0.0000 ( 4661 PWs) bands (ev): -33.2344 -33.2344 -33.2317 -33.2317 -14.5277 -14.5277 -14.5147 -14.5147 -14.1660 -14.1660 -14.1456 -14.1456 -14.1346 -14.1346 -14.1308 -14.1308 -0.7400 -0.7400 -0.6648 -0.6648 0.3222 0.3222 0.3244 0.3244 0.3478 0.3478 0.6060 0.6060 0.6540 0.6540 0.6745 0.6745 0.6813 0.6813 0.6930 0.6930 1.0981 1.0981 1.2916 1.2916 2.8215 2.8215 2.9443 2.9443 4.3654 4.3654 5.2689 5.2689 6.3508 6.3508 6.9009 6.9009 8.9581 8.9581 9.6600 9.6600 10.5261 10.5261 10.7619 10.7619 11.1314 11.1314 k = 0.2857 0.4949-0.0000 ( 4665 PWs) bands (ev): -33.2345 -33.2345 -33.2317 -33.2317 -14.5276 -14.5276 -14.5145 -14.5145 -14.1660 -14.1660 -14.1455 -14.1455 -14.1342 -14.1342 -14.1305 -14.1305 -0.7527 -0.7527 -0.6770 -0.6770 0.3215 0.3215 0.3229 0.3229 0.3504 0.3504 0.6015 0.6015 0.6511 0.6511 0.6748 0.6748 0.6813 0.6813 0.6946 0.6946 1.0743 1.0743 1.2754 1.2754 2.8467 2.8467 2.9859 2.9859 4.4286 4.4286 5.3023 5.3023 6.2831 6.2831 6.9438 6.9438 8.9171 8.9171 9.7308 9.7308 10.4513 10.4513 10.7449 10.7449 11.1910 11.1910 k = 0.2789 0.4831-0.0000 ( 4665 PWs) bands (ev): -33.2345 -33.2345 -33.2317 -33.2317 -14.5275 -14.5275 -14.5143 -14.5143 -14.1661 -14.1661 -14.1454 -14.1454 -14.1337 -14.1337 -14.1302 -14.1302 -0.7683 -0.7683 -0.6906 -0.6906 0.3194 0.3194 0.3224 0.3224 0.3530 0.3530 0.5962 0.5962 0.6480 0.6480 0.6749 0.6749 0.6813 0.6813 0.6959 0.6959 1.0486 1.0486 1.2575 1.2575 2.8789 2.8789 3.0344 3.0344 4.4978 4.4978 5.3399 5.3399 6.2120 6.2120 6.9873 6.9873 8.8795 8.8795 9.8033 9.8033 10.3766 10.3766 10.7292 10.7292 11.2563 11.2563 k = 0.2721 0.4713-0.0000 ( 4665 PWs) bands (ev): -33.2345 -33.2345 -33.2318 -33.2318 -14.5273 -14.5273 -14.5140 -14.5140 -14.1662 -14.1662 -14.1452 -14.1452 -14.1332 -14.1332 -14.1298 -14.1298 -0.7870 -0.7870 -0.7056 -0.7056 0.3170 0.3170 0.3222 0.3222 0.3556 0.3556 0.5900 0.5900 0.6448 0.6448 0.6751 0.6751 0.6812 0.6812 0.6968 0.6968 1.0216 1.0216 1.2383 1.2383 2.9181 2.9181 3.0895 3.0895 4.5724 4.5724 5.3816 5.3816 6.1378 6.1378 7.0311 7.0311 8.8455 8.8455 9.8774 9.8774 10.3025 10.3025 10.7150 10.7150 11.3255 11.3255 k = 0.2653 0.4595-0.0000 ( 4665 PWs) bands (ev): -33.2346 -33.2346 -33.2318 -33.2318 -14.5272 -14.5272 -14.5137 -14.5137 -14.1662 -14.1662 -14.1449 -14.1449 -14.1326 -14.1326 -14.1294 -14.1294 -0.8091 -0.8091 -0.7218 -0.7218 0.3143 0.3143 0.3219 0.3219 0.3582 0.3582 0.5828 0.5828 0.6415 0.6415 0.6751 0.6751 0.6811 0.6811 0.6975 0.6975 0.9944 0.9944 1.2179 1.2179 2.9642 2.9642 3.1513 3.1513 4.6517 4.6517 5.4271 5.4271 6.0610 6.0610 7.0752 7.0752 8.8153 8.8153 9.9529 9.9529 10.2293 10.2293 10.7021 10.7021 11.2786 11.2786 k = 0.2585 0.4477-0.0000 ( 4657 PWs) bands (ev): -33.2346 -33.2346 -33.2319 -33.2319 -14.5270 -14.5270 -14.5134 -14.5134 -14.1663 -14.1663 -14.1446 -14.1446 -14.1320 -14.1320 -14.1290 -14.1290 -0.8345 -0.8345 -0.7390 -0.7390 0.3116 0.3116 0.3216 0.3216 0.3608 0.3608 0.5747 0.5747 0.6382 0.6382 0.6751 0.6751 0.6810 0.6810 0.6980 0.6980 0.9677 0.9677 1.1969 1.1969 3.0170 3.0170 3.2195 3.2195 4.7352 4.7352 5.4762 5.4762 5.9822 5.9822 7.1192 7.1192 8.7890 8.7890 10.0290 10.0290 10.1580 10.1580 10.6905 10.6905 11.2140 11.2140 k = 0.2517 0.4360-0.0000 ( 4659 PWs) bands (ev): -33.2347 -33.2347 -33.2319 -33.2319 -14.5268 -14.5268 -14.5130 -14.5130 -14.1663 -14.1663 -14.1442 -14.1442 -14.1313 -14.1313 -14.1285 -14.1285 -0.8634 -0.8634 -0.7573 -0.7573 0.3086 0.3086 0.3211 0.3211 0.3633 0.3633 0.5655 0.5655 0.6349 0.6349 0.6749 0.6749 0.6809 0.6809 0.6981 0.6981 0.9422 0.9422 1.1754 1.1754 3.0763 3.0763 3.2938 3.2938 4.8224 4.8224 5.5287 5.5287 5.9017 5.9017 7.1629 7.1629 8.7669 8.7669 10.0749 10.0749 10.1192 10.1192 10.6803 10.6803 11.1459 11.1459 k = 0.2449 0.4242-0.0000 ( 4667 PWs) bands (ev): -33.2348 -33.2348 -33.2320 -33.2320 -14.5265 -14.5265 -14.5127 -14.5127 -14.1664 -14.1664 -14.1439 -14.1439 -14.1306 -14.1306 -14.1281 -14.1281 -0.8954 -0.8954 -0.7766 -0.7766 0.3056 0.3056 0.3205 0.3205 0.3656 0.3656 0.5553 0.5553 0.6315 0.6315 0.6744 0.6744 0.6808 0.6808 0.6979 0.6979 0.9183 0.9183 1.1539 1.1539 3.1417 3.1417 3.3741 3.3741 4.9129 4.9129 5.5843 5.5843 5.8201 5.8201 7.2060 7.2060 8.7492 8.7492 10.0117 10.0117 10.1920 10.1920 10.6713 10.6713 11.0757 11.0757 k = 0.2381 0.4124-0.0000 ( 4673 PWs) bands (ev): -33.2348 -33.2348 -33.2321 -33.2321 -14.5263 -14.5263 -14.5122 -14.5122 -14.1664 -14.1664 -14.1434 -14.1434 -14.1298 -14.1298 -14.1277 -14.1277 -0.9305 -0.9305 -0.7969 -0.7969 0.3025 0.3025 0.3197 0.3197 0.3678 0.3678 0.5444 0.5444 0.6282 0.6282 0.6735 0.6735 0.6807 0.6807 0.6974 0.6974 0.8963 0.8963 1.1326 1.1326 3.2130 3.2130 3.4599 3.4599 5.0064 5.0064 5.6418 5.6418 5.7389 5.7389 7.2483 7.2483 8.7363 8.7363 9.9435 9.9435 10.2721 10.2721 10.6636 10.6636 11.0043 11.0043 k = 0.2313 0.4006-0.0000 ( 4671 PWs) bands (ev): -33.2349 -33.2349 -33.2321 -33.2321 -14.5261 -14.5261 -14.5117 -14.5117 -14.1664 -14.1664 -14.1428 -14.1428 -14.1290 -14.1290 -14.1273 -14.1273 -0.9683 -0.9683 -0.8182 -0.8182 0.2994 0.2994 0.3188 0.3188 0.3699 0.3699 0.5330 0.5330 0.6249 0.6249 0.6723 0.6723 0.6808 0.6808 0.6968 0.6968 0.8766 0.8766 1.1120 1.1120 3.2899 3.2899 3.5512 3.5512 5.1024 5.1024 5.6478 5.6478 5.7117 5.7117 7.2893 7.2893 8.7283 8.7283 9.8765 9.8765 10.3532 10.3532 10.6571 10.6571 10.9325 10.9325 k = 0.2245 0.3888-0.0000 ( 4673 PWs) bands (ev): -33.2350 -33.2350 -33.2322 -33.2322 -14.5258 -14.5258 -14.5113 -14.5113 -14.1663 -14.1663 -14.1422 -14.1422 -14.1282 -14.1282 -14.1268 -14.1268 -1.0087 -1.0087 -0.8405 -0.8405 0.2962 0.2962 0.3176 0.3176 0.3719 0.3719 0.5212 0.5212 0.6216 0.6216 0.6705 0.6705 0.6810 0.6810 0.6961 0.6961 0.8590 0.8590 1.0922 1.0922 3.3722 3.3722 3.6476 3.6476 5.2006 5.2006 5.5675 5.5675 5.7736 5.7736 7.3289 7.3289 8.7257 8.7257 9.8109 9.8109 10.4347 10.4347 10.6516 10.6516 10.8606 10.8606 k = 0.2177 0.3770-0.0000 ( 4673 PWs) bands (ev): -33.2350 -33.2350 -33.2323 -33.2323 -14.5255 -14.5255 -14.5107 -14.5107 -14.1663 -14.1663 -14.1415 -14.1415 -14.1274 -14.1274 -14.1263 -14.1263 -1.0512 -1.0512 -0.8638 -0.8638 0.2930 0.2930 0.3161 0.3161 0.3737 0.3737 0.5094 0.5094 0.6183 0.6183 0.6682 0.6682 0.6813 0.6813 0.6952 0.6952 0.8436 0.8436 1.0734 1.0734 3.4594 3.4594 3.7490 3.7490 5.3001 5.3001 5.4851 5.4851 5.8410 5.8410 7.3665 7.3665 8.7286 8.7286 9.7471 9.7471 10.5157 10.5157 10.6476 10.6476 10.7889 10.7889 k = 0.2109 0.3653-0.0000 ( 4665 PWs) bands (ev): -33.2351 -33.2351 -33.2324 -33.2324 -14.5251 -14.5251 -14.5101 -14.5101 -14.1661 -14.1661 -14.1408 -14.1408 -14.1265 -14.1265 -14.1258 -14.1258 -1.0955 -1.0955 -0.8881 -0.8881 0.2898 0.2898 0.3144 0.3144 0.3754 0.3754 0.4979 0.4979 0.6150 0.6150 0.6653 0.6653 0.6817 0.6817 0.6944 0.6944 0.8301 0.8301 1.0558 1.0558 3.5515 3.5515 3.8551 3.8551 5.3836 5.3836 5.4203 5.4203 5.9114 5.9114 7.4020 7.4020 8.7373 8.7373 9.6851 9.6851 10.5931 10.5931 10.6473 10.6473 10.7180 10.7180 k = 0.2041 0.3535-0.0000 ( 4661 PWs) bands (ev): -33.2352 -33.2352 -33.2325 -33.2325 -14.5248 -14.5248 -14.5095 -14.5095 -14.1660 -14.1660 -14.1400 -14.1400 -14.1257 -14.1257 -14.1253 -14.1253 -1.1415 -1.1415 -0.9131 -0.9131 0.2866 0.2866 0.3123 0.3123 0.3770 0.3770 0.4869 0.4869 0.6117 0.6117 0.6618 0.6618 0.6821 0.6821 0.6935 0.6935 0.8184 0.8184 1.0395 1.0395 3.6482 3.6482 3.9658 3.9658 5.3154 5.3154 5.5091 5.5091 5.9845 5.9845 7.4350 7.4350 8.7521 8.7521 9.6253 9.6253 10.6302 10.6302 10.6463 10.6463 10.6885 10.6885 k = 0.1973 0.3417-0.0000 ( 4663 PWs) bands (ev): -33.2353 -33.2353 -33.2325 -33.2325 -14.5244 -14.5244 -14.5089 -14.5089 -14.1659 -14.1659 -14.1391 -14.1391 -14.1250 -14.1250 -14.1245 -14.1245 -1.1886 -1.1886 -0.9389 -0.9389 0.2835 0.2835 0.3099 0.3099 0.3783 0.3783 0.4767 0.4767 0.6084 0.6084 0.6577 0.6577 0.6826 0.6826 0.6928 0.6928 0.8082 0.8082 1.0246 1.0246 3.7492 3.7492 4.0809 4.0809 5.2341 5.2341 5.6127 5.6127 6.0601 6.0601 7.4653 7.4653 8.7731 8.7731 9.5675 9.5675 10.5770 10.5770 10.6309 10.6309 10.7633 10.7633 k = 0.1905 0.3299-0.0000 ( 4655 PWs) bands (ev): -33.2354 -33.2354 -33.2326 -33.2326 -14.5241 -14.5241 -14.5083 -14.5083 -14.1657 -14.1657 -14.1383 -14.1383 -14.1246 -14.1246 -14.1236 -14.1236 -1.2366 -1.2366 -0.9653 -0.9653 0.2804 0.2804 0.3071 0.3071 0.3795 0.3795 0.4675 0.4675 0.6052 0.6052 0.6530 0.6530 0.6831 0.6831 0.6922 0.6922 0.7995 0.7995 1.0109 1.0109 3.8544 3.8544 4.2002 4.2002 5.1534 5.1534 5.7175 5.7175 6.1380 6.1380 7.4929 7.4929 8.8004 8.8004 9.5121 9.5121 10.5087 10.5087 10.6279 10.6279 10.8399 10.8399 k = 0.1837 0.3181-0.0000 ( 4651 PWs) bands (ev): -33.2355 -33.2355 -33.2327 -33.2327 -14.5236 -14.5236 -14.5077 -14.5077 -14.1655 -14.1655 -14.1374 -14.1374 -14.1241 -14.1241 -14.1226 -14.1226 -1.2852 -1.2852 -0.9922 -0.9922 0.2775 0.2775 0.3039 0.3039 0.3805 0.3805 0.4594 0.4594 0.6019 0.6019 0.6479 0.6479 0.6837 0.6837 0.6917 0.6917 0.7919 0.7919 0.9986 0.9986 3.9636 3.9636 4.3237 4.3237 5.0737 5.0737 5.8227 5.8227 6.2182 6.2182 7.5175 7.5175 8.8338 8.8338 9.4590 9.4590 10.4416 10.4416 10.6240 10.6240 10.9143 10.9143 k = 0.1769 0.3063-0.0000 ( 4663 PWs) bands (ev): -33.2356 -33.2356 -33.2328 -33.2328 -14.5233 -14.5233 -14.5070 -14.5070 -14.1654 -14.1654 -14.1365 -14.1365 -14.1236 -14.1236 -14.1216 -14.1216 -1.3341 -1.3341 -1.0194 -1.0194 0.2746 0.2746 0.3004 0.3004 0.3812 0.3812 0.4525 0.4525 0.5986 0.5986 0.6422 0.6422 0.6841 0.6841 0.6914 0.6914 0.7854 0.7854 0.9876 0.9876 4.0766 4.0766 4.4511 4.4511 4.9954 4.9954 5.9280 5.9280 6.3006 6.3006 7.5394 7.5394 8.8734 8.8734 9.4084 9.4084 10.3758 10.3758 10.6189 10.6189 10.9850 10.9850 k = 0.1701 0.2946-0.0000 ( 4655 PWs) bands (ev): -33.2357 -33.2357 -33.2329 -33.2329 -14.5229 -14.5229 -14.5063 -14.5063 -14.1652 -14.1652 -14.1356 -14.1356 -14.1231 -14.1231 -14.1206 -14.1206 -1.3830 -1.3830 -1.0469 -1.0469 0.2718 0.2718 0.2966 0.2966 0.3818 0.3818 0.4469 0.4469 0.5955 0.5955 0.6363 0.6363 0.6846 0.6846 0.6913 0.6913 0.7797 0.7797 0.9777 0.9777 4.1932 4.1932 4.5824 4.5824 4.9188 4.9188 6.0329 6.0329 6.3850 6.3850 7.5585 7.5585 8.9189 8.9189 9.3604 9.3604 10.3117 10.3117 10.6124 10.6124 11.0496 11.0496 k = 0.1633 0.2828-0.0000 ( 4655 PWs) bands (ev): -33.2358 -33.2358 -33.2330 -33.2330 -14.5225 -14.5225 -14.5056 -14.5056 -14.1650 -14.1650 -14.1346 -14.1346 -14.1226 -14.1226 -14.1196 -14.1196 -1.4316 -1.4316 -1.0745 -1.0745 0.2692 0.2692 0.2925 0.2925 0.3821 0.3821 0.4424 0.4424 0.5923 0.5923 0.6301 0.6301 0.6849 0.6849 0.6915 0.6915 0.7748 0.7748 0.9689 0.9689 4.3133 4.3133 4.7172 4.7172 4.8441 4.8441 6.1369 6.1369 6.4714 6.4714 7.5751 7.5751 8.9699 8.9699 9.3152 9.3152 10.2492 10.2492 10.6038 10.6038 11.1017 11.1017 k = 0.1565 0.2710-0.0000 ( 4655 PWs) bands (ev): -33.2359 -33.2359 -33.2331 -33.2331 -14.5222 -14.5222 -14.5049 -14.5049 -14.1648 -14.1648 -14.1337 -14.1337 -14.1221 -14.1221 -14.1186 -14.1186 -1.4797 -1.4797 -1.1020 -1.1020 0.2666 0.2666 0.2882 0.2882 0.3822 0.3822 0.4389 0.4389 0.5891 0.5891 0.6238 0.6238 0.6851 0.6851 0.6920 0.6920 0.7705 0.7705 0.9611 0.9611 4.4366 4.4366 4.7702 4.7702 4.8570 4.8570 6.2396 6.2396 6.5596 6.5596 7.5894 7.5894 9.0262 9.0262 9.2727 9.2727 10.1885 10.1885 10.5923 10.5923 11.1254 11.1254 k = 0.1497 0.2592-0.0000 ( 4649 PWs) bands (ev): -33.2360 -33.2360 -33.2332 -33.2332 -14.5217 -14.5217 -14.5042 -14.5042 -14.1645 -14.1645 -14.1327 -14.1327 -14.1215 -14.1215 -14.1175 -14.1175 -1.5271 -1.5271 -1.1293 -1.1293 0.2642 0.2642 0.2838 0.2838 0.3822 0.3822 0.4365 0.4365 0.5860 0.5860 0.6174 0.6174 0.6853 0.6853 0.6927 0.6927 0.7668 0.7668 0.9542 0.9542 4.5626 4.5626 4.7004 4.7004 4.9988 4.9988 6.3405 6.3405 6.6495 6.6495 7.6016 7.6016 9.0873 9.0873 9.2332 9.2332 10.1299 10.1299 10.5773 10.5773 11.1114 11.1114 k = 0.1429 0.2474-0.0000 ( 4657 PWs) bands (ev): -33.2361 -33.2361 -33.2333 -33.2333 -14.5214 -14.5214 -14.5035 -14.5035 -14.1644 -14.1644 -14.1318 -14.1318 -14.1209 -14.1209 -14.1165 -14.1165 -1.5736 -1.5736 -1.1563 -1.1563 0.2618 0.2618 0.2793 0.2793 0.3820 0.3820 0.4350 0.4350 0.5830 0.5830 0.6111 0.6111 0.6854 0.6854 0.6935 0.6935 0.7634 0.7634 0.9481 0.9481 4.6277 4.6277 4.6965 4.6965 5.1445 5.1445 6.4391 6.4391 6.7410 6.7410 7.6121 7.6121 9.1525 9.1525 9.1970 9.1970 10.0734 10.0734 10.5577 10.5577 11.0785 11.0785 k = 0.1361 0.2357-0.0000 ( 4657 PWs) bands (ev): -33.2362 -33.2362 -33.2334 -33.2334 -14.5210 -14.5210 -14.5028 -14.5028 -14.1642 -14.1642 -14.1310 -14.1310 -14.1203 -14.1203 -14.1155 -14.1155 -1.6188 -1.6188 -1.1829 -1.1829 0.2595 0.2595 0.2749 0.2749 0.3817 0.3817 0.4341 0.4341 0.5799 0.5799 0.6048 0.6048 0.6855 0.6855 0.6946 0.6946 0.7604 0.7604 0.9427 0.9427 4.5633 4.5633 4.8272 4.8272 5.2936 5.2936 6.5350 6.5350 6.8341 6.8341 7.6210 7.6210 9.1623 9.1623 9.2232 9.2232 10.0192 10.0192 10.5325 10.5325 11.0400 11.0400 k = 0.1293 0.2239-0.0000 ( 4657 PWs) bands (ev): -33.2364 -33.2364 -33.2335 -33.2335 -14.5206 -14.5206 -14.5021 -14.5021 -14.1639 -14.1639 -14.1302 -14.1302 -14.1197 -14.1197 -14.1144 -14.1144 -1.6628 -1.6628 -1.2089 -1.2089 0.2573 0.2573 0.2707 0.2707 0.3814 0.3814 0.4339 0.4339 0.5770 0.5770 0.5988 0.5988 0.6856 0.6856 0.6957 0.6957 0.7577 0.7577 0.9380 0.9380 4.4996 4.4996 4.9625 4.9625 5.4459 5.4459 6.6275 6.6275 6.9285 6.9285 7.6286 7.6286 9.1318 9.1318 9.2962 9.2962 9.9675 9.9675 10.5007 10.5007 11.0002 11.0002 k = 0.1224 0.2121-0.0000 ( 4659 PWs) bands (ev): -33.2365 -33.2365 -33.2336 -33.2336 -14.5203 -14.5203 -14.5015 -14.5015 -14.1637 -14.1637 -14.1294 -14.1294 -14.1189 -14.1189 -14.1134 -14.1134 -1.7053 -1.7053 -1.2342 -1.2342 0.2551 0.2551 0.2666 0.2666 0.3811 0.3811 0.4342 0.4342 0.5741 0.5741 0.5929 0.5929 0.6856 0.6856 0.6969 0.6969 0.7552 0.7552 0.9338 0.9338 4.4383 4.4383 5.1006 5.1006 5.6014 5.6014 6.7162 6.7162 7.0241 7.0241 7.6352 7.6352 9.1042 9.1042 9.3726 9.3726 9.9184 9.9184 10.4614 10.4614 10.9606 10.9606 k = 0.1156 0.2003-0.0000 ( 4655 PWs) bands (ev): -33.2365 -33.2365 -33.2337 -33.2337 -14.5200 -14.5200 -14.5008 -14.5008 -14.1635 -14.1635 -14.1287 -14.1287 -14.1182 -14.1182 -14.1124 -14.1124 -1.7462 -1.7462 -1.2588 -1.2588 0.2529 0.2529 0.2627 0.2627 0.3808 0.3808 0.4349 0.4349 0.5712 0.5712 0.5873 0.5873 0.6857 0.6857 0.6982 0.6982 0.7530 0.7530 0.9302 0.9302 4.3797 4.3797 5.2411 5.2411 5.7600 5.7600 6.8006 6.8006 7.1208 7.1208 7.6410 7.6410 9.0794 9.0794 9.4517 9.4517 9.8719 9.8719 10.4135 10.4135 10.9219 10.9219 k = 0.1088 0.1885-0.0000 ( 4655 PWs) bands (ev): -33.2366 -33.2366 -33.2338 -33.2338 -14.5196 -14.5196 -14.5001 -14.5001 -14.1634 -14.1634 -14.1281 -14.1281 -14.1174 -14.1174 -14.1114 -14.1114 -1.7853 -1.7853 -1.2824 -1.2824 0.2506 0.2506 0.2593 0.2593 0.3804 0.3804 0.4359 0.4359 0.5684 0.5684 0.5821 0.5821 0.6857 0.6857 0.6996 0.6996 0.7510 0.7510 0.9269 0.9269 4.3238 4.3238 5.3840 5.3840 5.9216 5.9216 6.8801 6.8801 7.2183 7.2183 7.6462 7.6462 9.0574 9.0574 9.5332 9.5332 9.8282 9.8282 10.3564 10.3564 10.8845 10.8845 k = 0.1020 0.1767-0.0000 ( 4659 PWs) bands (ev): -33.2367 -33.2367 -33.2339 -33.2339 -14.5193 -14.5193 -14.4995 -14.4995 -14.1632 -14.1632 -14.1276 -14.1276 -14.1166 -14.1166 -14.1105 -14.1105 -1.8226 -1.8226 -1.3050 -1.3050 0.2482 0.2482 0.2563 0.2563 0.3801 0.3801 0.4371 0.4371 0.5656 0.5656 0.5772 0.5772 0.6858 0.6858 0.7010 0.7010 0.7491 0.7491 0.9241 0.9241 4.2707 4.2707 5.5290 5.5290 6.0859 6.0859 6.9545 6.9545 7.3164 7.3164 7.6510 7.6510 9.0381 9.0381 9.6165 9.6165 9.7875 9.7875 10.2895 10.2895 10.8488 10.8488 k = 0.0952 0.1650-0.0000 ( 4655 PWs) bands (ev): -33.2368 -33.2368 -33.2340 -33.2340 -14.5190 -14.5190 -14.4990 -14.4990 -14.1630 -14.1630 -14.1271 -14.1271 -14.1158 -14.1158 -14.1095 -14.1095 -1.8579 -1.8579 -1.3266 -1.3266 0.2456 0.2456 0.2538 0.2538 0.3799 0.3799 0.4385 0.4385 0.5627 0.5627 0.5728 0.5728 0.6859 0.6859 0.7024 0.7024 0.7474 0.7474 0.9217 0.9217 4.2207 4.2207 5.6759 5.6759 6.2530 6.2530 7.0232 7.0232 7.4145 7.4145 7.6560 7.6560 9.0212 9.0212 9.7010 9.7010 9.7499 9.7499 10.2128 10.2128 10.8148 10.8148 k = 0.0884 0.1532-0.0000 ( 4661 PWs) bands (ev): -33.2369 -33.2369 -33.2341 -33.2341 -14.5187 -14.5187 -14.4984 -14.4984 -14.1628 -14.1628 -14.1267 -14.1267 -14.1149 -14.1149 -14.1087 -14.1087 -1.8911 -1.8911 -1.3470 -1.3470 0.2429 0.2429 0.2517 0.2517 0.3796 0.3796 0.4400 0.4400 0.5597 0.5597 0.5689 0.5689 0.6860 0.6860 0.7038 0.7038 0.7458 0.7458 0.9195 0.9195 4.1737 4.1737 5.8243 5.8243 6.4227 6.4227 7.0862 7.0862 7.5112 7.5112 7.6624 7.6624 9.0065 9.0065 9.7145 9.7145 9.7870 9.7870 10.1261 10.1261 10.7906 10.7909 k = 0.0816 0.1414-0.0000 ( 4661 PWs) bands (ev): -33.2370 -33.2370 -33.2342 -33.2342 -14.5185 -14.5185 -14.4979 -14.4979 -14.1627 -14.1627 -14.1263 -14.1263 -14.1141 -14.1141 -14.1078 -14.1078 -1.9222 -1.9222 -1.3662 -1.3662 0.2402 0.2402 0.2499 0.2499 0.3794 0.3794 0.4417 0.4417 0.5565 0.5565 0.5655 0.5655 0.6861 0.6861 0.7052 0.7052 0.7443 0.7443 0.9176 0.9176 4.1298 4.1298 5.9740 5.9740 6.5948 6.5948 7.1432 7.1432 7.5992 7.5992 7.6772 7.6772 8.9937 8.9937 9.6827 9.6827 9.8727 9.8727 10.0297 10.0297 10.6667 10.6667 k = 0.0748 0.1296-0.0000 ( 4673 PWs) bands (ev): -33.2371 -33.2371 -33.2343 -33.2343 -14.5182 -14.5182 -14.4974 -14.4974 -14.1625 -14.1625 -14.1260 -14.1260 -14.1134 -14.1134 -14.1070 -14.1070 -1.9510 -1.9510 -1.3841 -1.3841 0.2375 0.2375 0.2484 0.2484 0.3793 0.3793 0.4434 0.4434 0.5532 0.5532 0.5627 0.5627 0.6861 0.6861 0.7066 0.7066 0.7429 0.7429 0.9160 0.9160 4.0891 4.0891 6.1246 6.1246 6.7690 6.7690 7.1943 7.1943 7.6441 7.6441 7.7350 7.7350 8.9826 8.9826 9.6536 9.6536 9.9243 9.9243 9.9581 9.9581 10.5451 10.5451 k = 0.0680 0.1178-0.0000 ( 4669 PWs) bands (ev): -33.2372 -33.2372 -33.2343 -33.2343 -14.5180 -14.5180 -14.4969 -14.4969 -14.1624 -14.1624 -14.1257 -14.1257 -14.1126 -14.1126 -14.1062 -14.1062 -1.9775 -1.9775 -1.4006 -1.4006 0.2351 0.2351 0.2471 0.2471 0.3791 0.3791 0.4451 0.4451 0.5499 0.5499 0.5604 0.5604 0.6862 0.6862 0.7079 0.7079 0.7417 0.7417 0.9146 0.9146 4.0517 4.0517 6.2756 6.2756 6.9451 6.9451 7.2396 7.2396 7.6549 7.6549 7.8260 7.8260 8.9728 8.9728 9.6271 9.6271 9.8106 9.8106 10.0425 10.0425 10.4270 10.4270 k = 0.0612 0.1060-0.0000 ( 4663 PWs) bands (ev): -33.2372 -33.2372 -33.2344 -33.2344 -14.5178 -14.5178 -14.4965 -14.4965 -14.1622 -14.1622 -14.1255 -14.1255 -14.1118 -14.1118 -14.1055 -14.1055 -2.0017 -2.0017 -1.4157 -1.4157 0.2328 0.2328 0.2460 0.2460 0.3790 0.3790 0.4468 0.4468 0.5467 0.5467 0.5585 0.5585 0.6863 0.6863 0.7092 0.7092 0.7406 0.7406 0.9134 0.9134 4.0177 4.0177 6.4263 6.4263 7.1227 7.1227 7.2793 7.2793 7.6599 7.6599 7.9219 7.9219 8.9642 8.9642 9.6031 9.6031 9.6901 9.6901 10.1247 10.1247 10.3131 10.3131 k = 0.0544 0.0943-0.0000 ( 4663 PWs) bands (ev): -33.2373 -33.2373 -33.2344 -33.2344 -14.5175 -14.5175 -14.4961 -14.4961 -14.1621 -14.1621 -14.1253 -14.1253 -14.1112 -14.1112 -14.1048 -14.1048 -2.0235 -2.0235 -1.4294 -1.4294 0.2307 0.2307 0.2450 0.2450 0.3789 0.3789 0.4485 0.4485 0.5437 0.5437 0.5568 0.5568 0.6864 0.6864 0.7105 0.7105 0.7395 0.7395 0.9124 0.9124 3.9871 3.9871 6.5759 6.5759 7.3010 7.3010 7.3137 7.3137 7.6640 7.6640 8.0175 8.0175 8.9563 8.9563 9.5638 9.5638 9.5815 9.5815 10.1946 10.1946 10.2132 10.2132 k = 0.0476 0.0825-0.0000 ( 4665 PWs) bands (ev): -33.2374 -33.2374 -33.2345 -33.2345 -14.5173 -14.5173 -14.4958 -14.4958 -14.1620 -14.1620 -14.1251 -14.1251 -14.1106 -14.1106 -14.1042 -14.1042 -2.0428 -2.0428 -1.4415 -1.4415 0.2289 0.2289 0.2442 0.2442 0.3788 0.3788 0.4501 0.4501 0.5409 0.5409 0.5554 0.5554 0.6864 0.6864 0.7116 0.7116 0.7386 0.7386 0.9115 0.9115 3.9600 3.9600 6.7233 6.7233 7.3431 7.3431 7.4775 7.4775 7.6697 7.6697 8.1112 8.1112 8.9492 8.9492 9.4348 9.4348 9.5607 9.5607 10.0985 10.0985 10.2804 10.2804 k = 0.0408 0.0707-0.0000 ( 4665 PWs) bands (ev): -33.2374 -33.2374 -33.2345 -33.2345 -14.5172 -14.5172 -14.4955 -14.4955 -14.1619 -14.1619 -14.1250 -14.1250 -14.1100 -14.1100 -14.1037 -14.1037 -2.0596 -2.0596 -1.4521 -1.4521 0.2273 0.2273 0.2435 0.2435 0.3788 0.3788 0.4516 0.4516 0.5384 0.5384 0.5543 0.5543 0.6865 0.6865 0.7126 0.7126 0.7378 0.7378 0.9108 0.9108 3.9363 3.9363 6.8666 6.8666 7.3680 7.3680 7.6272 7.6272 7.7016 7.7016 8.2017 8.2017 8.9424 8.9424 9.3047 9.3047 9.5404 9.5404 10.0005 10.0005 10.2993 10.2993 k = 0.0340 0.0589-0.0000 ( 4661 PWs) bands (ev): -33.2375 -33.2375 -33.2346 -33.2346 -14.5170 -14.5170 -14.4953 -14.4953 -14.1618 -14.1618 -14.1249 -14.1249 -14.1096 -14.1096 -14.1033 -14.1033 -2.0739 -2.0739 -1.4612 -1.4612 0.2259 0.2259 0.2429 0.2429 0.3787 0.3787 0.4529 0.4529 0.5362 0.5362 0.5533 0.5533 0.6865 0.6865 0.7136 0.7136 0.7370 0.7370 0.9102 0.9102 3.9163 3.9163 7.0034 7.0034 7.3891 7.3891 7.6576 7.6576 7.8508 7.8508 8.2875 8.2875 8.9357 8.9357 9.1770 9.1770 9.5186 9.5186 9.9098 9.9098 10.1189 10.1189 k = 0.0272 0.0471-0.0000 ( 4667 PWs) bands (ev): -33.2375 -33.2375 -33.2346 -33.2346 -14.5170 -14.5170 -14.4951 -14.4951 -14.1618 -14.1618 -14.1248 -14.1248 -14.1092 -14.1092 -14.1029 -14.1029 -2.0856 -2.0856 -1.4686 -1.4686 0.2247 0.2247 0.2423 0.2423 0.3787 0.3787 0.4541 0.4541 0.5343 0.5343 0.5525 0.5525 0.6866 0.6866 0.7144 0.7144 0.7364 0.7364 0.9097 0.9097 3.8998 3.8998 7.1298 7.1298 7.4072 7.4072 7.6621 7.6621 8.0211 8.0211 8.3669 8.3669 8.9285 8.9285 9.0559 9.0559 9.4910 9.4910 9.8282 9.8282 9.9520 9.9520 k = 0.0204 0.0353-0.0000 ( 4677 PWs) bands (ev): -33.2375 -33.2375 -33.2346 -33.2346 -14.5169 -14.5169 -14.4949 -14.4949 -14.1617 -14.1617 -14.1247 -14.1247 -14.1089 -14.1089 -14.1027 -14.1027 -2.0948 -2.0948 -1.4744 -1.4744 0.2238 0.2238 0.2419 0.2419 0.3787 0.3787 0.4550 0.4550 0.5328 0.5328 0.5518 0.5518 0.6866 0.6866 0.7150 0.7150 0.7359 0.7359 0.9093 0.9093 3.8869 3.8869 7.2392 7.2392 7.4239 7.4239 7.6641 7.6641 8.1840 8.1840 8.4385 8.4385 8.9197 8.9197 8.9470 8.9470 9.4499 9.4499 9.7583 9.7583 9.8127 9.8127 k = 0.0136 0.0236-0.0000 ( 4679 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5169 -14.5169 -14.4948 -14.4948 -14.1617 -14.1617 -14.1247 -14.1247 -14.1086 -14.1086 -14.1025 -14.1025 -2.1013 -2.1013 -1.4785 -1.4785 0.2232 0.2232 0.2416 0.2416 0.3786 0.3786 0.4557 0.4557 0.5317 0.5317 0.5514 0.5514 0.6866 0.6866 0.7155 0.7155 0.7356 0.7356 0.9091 0.9091 3.8777 3.8777 7.3214 7.3214 7.4426 7.4426 7.6652 7.6652 8.3255 8.3255 8.5028 8.5028 8.8580 8.8580 8.9074 8.9074 9.3888 9.3888 9.7004 9.7004 9.7208 9.7208 k = 0.0068 0.0118-0.0000 ( 4667 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5168 -14.5168 -14.4947 -14.4947 -14.1617 -14.1617 -14.1246 -14.1246 -14.1084 -14.1084 -14.1024 -14.1024 -2.1052 -2.1052 -1.4810 -1.4810 0.2229 0.2229 0.2415 0.2415 0.3786 0.3786 0.4561 0.4561 0.5311 0.5311 0.5511 0.5511 0.6866 0.6866 0.7158 0.7158 0.7354 0.7354 0.9089 0.9089 3.8722 3.8722 7.3660 7.3660 7.4645 7.4645 7.6657 7.6657 8.4202 8.4202 8.5630 8.5630 8.7986 8.7986 8.8907 8.8907 9.3235 9.3235 9.6583 9.6583 9.6797 9.6797 k = 0.0000 0.0000 0.0000 ( 4671 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5168 -14.5168 -14.4947 -14.4947 -14.1617 -14.1617 -14.1246 -14.1246 -14.1084 -14.1084 -14.1023 -14.1023 -2.1065 -2.1065 -1.4818 -1.4818 0.2227 0.2227 0.2414 0.2414 0.3786 0.3786 0.4563 0.4563 0.5309 0.5309 0.5510 0.5510 0.6866 0.6866 0.7159 0.7159 0.7353 0.7353 0.9089 0.9089 3.8704 3.8704 7.3783 7.3783 7.4757 7.4757 7.6659 7.6659 8.4505 8.4505 8.5949 8.5949 8.7776 8.7776 8.8800 8.8800 9.2943 9.2943 9.6443 9.6443 9.6677 9.6677 k = 0.0000 0.0000 0.0000 ( 4671 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5168 -14.5168 -14.4947 -14.4947 -14.1617 -14.1617 -14.1246 -14.1246 -14.1084 -14.1084 -14.1023 -14.1023 -2.1065 -2.1065 -1.4818 -1.4818 0.2227 0.2227 0.2414 0.2414 0.3786 0.3786 0.4563 0.4563 0.5309 0.5309 0.5510 0.5510 0.6866 0.6866 0.7159 0.7159 0.7353 0.7353 0.9089 0.9089 3.8704 3.8704 7.3783 7.3783 7.4757 7.4757 7.6659 7.6659 8.4505 8.4505 8.5949 8.5949 8.7776 8.7776 8.8800 8.8800 9.2943 9.2943 9.6443 9.6443 9.6677 9.6677 k = 0.0000 0.0000 0.0131 ( 4671 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5168 -14.5168 -14.4947 -14.4947 -14.1616 -14.1616 -14.1247 -14.1247 -14.1084 -14.1084 -14.1024 -14.1024 -2.1057 -2.1057 -1.4829 -1.4829 0.2228 0.2228 0.2414 0.2414 0.3787 0.3787 0.4561 0.4561 0.5309 0.5309 0.5510 0.5510 0.6867 0.6867 0.7158 0.7158 0.7354 0.7354 0.9083 0.9083 3.8746 3.8746 7.3794 7.3794 7.4768 7.4768 7.6464 7.6464 8.4472 8.4472 8.5916 8.5916 8.7784 8.7784 8.8988 8.8988 9.2937 9.2937 9.6457 9.6457 9.6691 9.6691 k = 0.0000 0.0000 0.0262 ( 4671 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5167 -14.5167 -14.4948 -14.4948 -14.1615 -14.1615 -14.1248 -14.1248 -14.1084 -14.1084 -14.1024 -14.1024 -2.1032 -2.1032 -1.4862 -1.4862 0.2229 0.2229 0.2413 0.2413 0.3790 0.3790 0.4556 0.4556 0.5310 0.5310 0.5509 0.5509 0.6868 0.6868 0.7157 0.7157 0.7358 0.7358 0.9065 0.9065 3.8871 3.8871 7.3827 7.3827 7.4801 7.4801 7.5914 7.5914 8.4376 8.4376 8.5819 8.5819 8.7807 8.7807 8.9516 8.9516 9.2919 9.2919 9.6498 9.6498 9.6733 9.6733 k = 0.0000 0.0000 0.0393 ( 4671 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5165 -14.5165 -14.4949 -14.4949 -14.1612 -14.1612 -14.1252 -14.1252 -14.1083 -14.1083 -14.1024 -14.1024 -2.0989 -2.0989 -1.4917 -1.4917 0.2230 0.2230 0.2411 0.2411 0.3794 0.3794 0.4548 0.4548 0.5312 0.5312 0.5508 0.5508 0.6870 0.6870 0.7154 0.7154 0.7363 0.7363 0.9035 0.9035 3.9079 3.9079 7.3881 7.3881 7.4857 7.4857 7.5082 7.5082 8.4223 8.4223 8.5661 8.5661 8.7846 8.7846 9.0305 9.0305 9.2888 9.2888 9.6567 9.6567 9.6802 9.6802 k = 0.0000 0.0000 0.0524 ( 4671 PWs) bands (ev): -33.2375 -33.2375 -33.2347 -33.2347 -14.5162 -14.5162 -14.4951 -14.4951 -14.1609 -14.1609 -14.1256 -14.1256 -14.1083 -14.1083 -14.1025 -14.1025 -2.0931 -2.0931 -1.4992 -1.4992 0.2232 0.2232 0.2409 0.2409 0.3800 0.3800 0.4537 0.4537 0.5314 0.5314 0.5505 0.5505 0.6873 0.6873 0.7151 0.7151 0.7371 0.7371 0.8994 0.8994 3.9368 3.9368 7.3957 7.3957 7.4051 7.4051 7.4935 7.4935 8.4020 8.4020 8.5446 8.5446 8.7900 8.7900 9.1271 9.1271 9.2844 9.2844 9.6663 9.6663 9.6899 9.6899 k = 0.0000 0.0000 0.0655 ( 4677 PWs) bands (ev): -33.2374 -33.2374 -33.2348 -33.2348 -14.5159 -14.5159 -14.4954 -14.4954 -14.1604 -14.1604 -14.1261 -14.1261 -14.1082 -14.1082 -14.1026 -14.1026 -2.0855 -2.0855 -1.5088 -1.5088 0.2235 0.2235 0.2407 0.2407 0.3807 0.3807 0.4523 0.4523 0.5317 0.5317 0.5503 0.5503 0.6877 0.6877 0.7147 0.7147 0.7382 0.7382 0.8944 0.8944 3.9736 3.9736 7.2883 7.2883 7.4055 7.4055 7.5035 7.5035 8.3771 8.3771 8.5181 8.5181 8.7969 8.7969 9.2349 9.2349 9.2788 9.2788 9.6786 9.6786 9.7023 9.7023 k = 0.0000 0.0000 0.0787 ( 4671 PWs) bands (ev): -33.2374 -33.2374 -33.2348 -33.2348 -14.5155 -14.5155 -14.4957 -14.4957 -14.1599 -14.1599 -14.1268 -14.1268 -14.1081 -14.1081 -14.1027 -14.1027 -2.0764 -2.0764 -1.5204 -1.5204 0.2238 0.2238 0.2404 0.2404 0.3817 0.3817 0.4507 0.4507 0.5320 0.5320 0.5499 0.5499 0.6882 0.6882 0.7142 0.7142 0.7395 0.7395 0.8886 0.8886 4.0181 4.0181 7.1625 7.1625 7.4174 7.4174 7.5157 7.5157 8.3482 8.3482 8.4872 8.4872 8.8054 8.8054 9.2717 9.2717 9.3495 9.3495 9.6936 9.6936 9.7175 9.7175 k = 0.0000 0.0000 0.0918 ( 4677 PWs) bands (ev): -33.2373 -33.2373 -33.2349 -33.2349 -14.5150 -14.5150 -14.4961 -14.4961 -14.1593 -14.1593 -14.1275 -14.1275 -14.1080 -14.1080 -14.1028 -14.1028 -2.0657 -2.0657 -1.5339 -1.5339 0.2241 0.2241 0.2400 0.2400 0.3827 0.3827 0.4487 0.4487 0.5324 0.5324 0.5495 0.5495 0.6888 0.6888 0.7136 0.7136 0.7410 0.7410 0.8821 0.8821 4.0700 4.0700 7.0307 7.0307 7.4314 7.4314 7.5301 7.5301 8.3159 8.3159 8.4525 8.4525 8.8152 8.8152 9.2633 9.2633 9.4674 9.4674 9.7114 9.7114 9.7354 9.7354 k = 0.0000 0.0000 0.1049 ( 4671 PWs) bands (ev): -33.2373 -33.2373 -33.2350 -33.2350 -14.5145 -14.5145 -14.4965 -14.4965 -14.1585 -14.1585 -14.1284 -14.1284 -14.1078 -14.1078 -14.1030 -14.1030 -2.0535 -2.0535 -1.5490 -1.5490 0.2246 0.2246 0.2396 0.2396 0.3840 0.3840 0.4466 0.4466 0.5328 0.5328 0.5491 0.5491 0.6894 0.6894 0.7130 0.7130 0.7428 0.7428 0.8750 0.8750 4.1291 4.1291 6.8951 6.8951 7.4475 7.4475 7.5466 7.5466 8.2806 8.2806 8.4148 8.4148 8.8265 8.8265 9.2534 9.2534 9.5867 9.5867 9.7319 9.7319 9.7561 9.7561 k = 0.0000 0.0000 0.1180 ( 4665 PWs) bands (ev): -33.2372 -33.2372 -33.2350 -33.2350 -14.5139 -14.5139 -14.4969 -14.4969 -14.1577 -14.1577 -14.1293 -14.1293 -14.1076 -14.1076 -14.1031 -14.1031 -2.0398 -2.0398 -1.5659 -1.5659 0.2250 0.2250 0.2391 0.2391 0.3855 0.3855 0.4442 0.4442 0.5333 0.5333 0.5486 0.5486 0.6901 0.6901 0.7123 0.7123 0.7449 0.7449 0.8675 0.8675 4.1949 4.1949 6.7571 6.7571 7.4657 7.4657 7.5653 7.5653 8.2430 8.2430 8.3746 8.3746 8.8391 8.8391 9.2422 9.2422 9.7059 9.7059 9.7551 9.7551 9.7795 9.7795 k = 0.0000 0.0000 0.1311 ( 4659 PWs) bands (ev): -33.2371 -33.2371 -33.2351 -33.2351 -14.5132 -14.5132 -14.4975 -14.4975 -14.1567 -14.1567 -14.1304 -14.1304 -14.1075 -14.1075 -14.1032 -14.1032 -2.0247 -2.0247 -1.5842 -1.5842 0.2255 0.2255 0.2386 0.2386 0.3871 0.3871 0.4416 0.4416 0.5339 0.5339 0.5481 0.5481 0.6910 0.6910 0.7115 0.7115 0.7472 0.7472 0.8598 0.8598 4.2673 4.2673 6.6179 6.6179 7.4859 7.4859 7.5860 7.5860 8.2035 8.2035 8.3327 8.3327 8.8530 8.8530 9.2295 9.2295 9.7810 9.7810 9.8056 9.8056 9.8238 9.8238 k = 0.0000 0.0000 0.1442 ( 4659 PWs) bands (ev): -33.2370 -33.2370 -33.2352 -33.2352 -14.5125 -14.5125 -14.4980 -14.4980 -14.1557 -14.1557 -14.1315 -14.1315 -14.1074 -14.1074 -14.1034 -14.1034 -2.0082 -2.0082 -1.6038 -1.6038 0.2261 0.2261 0.2381 0.2381 0.3888 0.3888 0.4389 0.4389 0.5345 0.5345 0.5475 0.5475 0.6918 0.6918 0.7106 0.7106 0.7498 0.7498 0.8518 0.8518 4.3459 4.3459 6.4782 6.4782 7.5081 7.5081 7.6089 7.6089 8.1626 8.1626 8.2893 8.2893 8.8682 8.8682 9.2154 9.2154 9.8096 9.8096 9.8344 9.8344 9.9397 9.9397 k = 0.0000 0.0000 0.1573 ( 4666 PWs) bands (ev): -33.2369 -33.2369 -33.2353 -33.2353 -14.5118 -14.5118 -14.4986 -14.4986 -14.1547 -14.1547 -14.1327 -14.1327 -14.1072 -14.1072 -14.1036 -14.1036 -1.9905 -1.9905 -1.6247 -1.6247 0.2266 0.2266 0.2375 0.2375 0.3907 0.3907 0.4359 0.4359 0.5351 0.5351 0.5469 0.5469 0.6927 0.6927 0.7097 0.7097 0.7527 0.7527 0.8438 0.8438 4.4303 4.4303 6.3388 6.3388 7.5323 7.5323 7.6337 7.6337 8.1207 8.1207 8.2451 8.2451 8.8845 8.8845 9.2001 9.2001 9.8408 9.8408 9.8659 9.8659 10.0532 10.0532 k = 0.0000 0.0000 0.1704 ( 4678 PWs) bands (ev): -33.2369 -33.2369 -33.2354 -33.2354 -14.5110 -14.5110 -14.4994 -14.4994 -14.1536 -14.1536 -14.1341 -14.1341 -14.1070 -14.1070 -14.1038 -14.1038 -1.9716 -1.9716 -1.6465 -1.6465 0.2272 0.2272 0.2369 0.2369 0.3927 0.3927 0.4329 0.4329 0.5357 0.5357 0.5462 0.5462 0.6936 0.6936 0.7087 0.7087 0.7558 0.7558 0.8358 0.8358 4.5202 4.5202 6.2000 6.2000 7.5584 7.5584 7.6606 7.6606 8.0783 8.0783 8.2004 8.2004 8.9018 8.9018 9.1834 9.1834 9.8747 9.8747 9.9001 9.9001 10.1637 10.1637 k = 0.0000 0.0000 0.1835 ( 4678 PWs) bands (ev): -33.2368 -33.2368 -33.2355 -33.2355 -14.5102 -14.5102 -14.5001 -14.5001 -14.1523 -14.1523 -14.1355 -14.1355 -14.1068 -14.1068 -14.1040 -14.1040 -1.9516 -1.9516 -1.6693 -1.6693 0.2279 0.2279 0.2363 0.2363 0.3949 0.3949 0.4298 0.4298 0.5364 0.5364 0.5455 0.5455 0.6946 0.6946 0.7077 0.7077 0.7593 0.7593 0.8280 0.8280 4.6154 4.6154 6.0624 6.0624 7.5863 7.5863 7.6893 7.6893 8.0356 8.0356 8.1556 8.1556 8.9202 8.9202 9.1657 9.1657 9.9113 9.9113 9.9370 9.9370 10.2709 10.2709 k = 0.0000 0.0000 0.1966 ( 4660 PWs) bands (ev): -33.2367 -33.2367 -33.2355 -33.2355 -14.5092 -14.5092 -14.5009 -14.5009 -14.1509 -14.1509 -14.1369 -14.1369 -14.1066 -14.1066 -14.1041 -14.1041 -1.9306 -1.9306 -1.6927 -1.6927 0.2286 0.2286 0.2356 0.2356 0.3974 0.3974 0.4267 0.4267 0.5372 0.5372 0.5448 0.5448 0.6957 0.6957 0.7067 0.7067 0.7631 0.7631 0.8205 0.8205 4.7156 4.7156 5.9264 5.9264 7.6161 7.6161 7.7200 7.7200 7.9931 7.9931 8.1110 8.1110 8.9393 8.9393 9.1469 9.1469 9.9506 9.9506 9.9766 9.9766 10.3734 10.3734 k = 0.0000 0.0000 0.2097 ( 4660 PWs) bands (ev): -33.2366 -33.2366 -33.2356 -33.2356 -14.5084 -14.5084 -14.5017 -14.5017 -14.1496 -14.1496 -14.1383 -14.1383 -14.1064 -14.1064 -14.1044 -14.1044 -1.9087 -1.9087 -1.7166 -1.7166 0.2293 0.2293 0.2349 0.2349 0.3999 0.3999 0.4235 0.4235 0.5379 0.5379 0.5441 0.5441 0.6968 0.6968 0.7056 0.7056 0.7673 0.7673 0.8132 0.8132 4.8203 4.8203 5.7922 5.7922 7.6476 7.6476 7.7525 7.7525 7.9508 7.9508 8.0669 8.0669 8.9592 8.9592 9.1273 9.1273 9.9923 9.9923 10.0187 10.0187 10.4108 10.4108 k = 0.0000 0.0000 0.2228 ( 4666 PWs) bands (ev): -33.2365 -33.2365 -33.2358 -33.2358 -14.5075 -14.5075 -14.5025 -14.5025 -14.1483 -14.1483 -14.1397 -14.1397 -14.1061 -14.1061 -14.1046 -14.1046 -1.8861 -1.8861 -1.7410 -1.7410 0.2300 0.2300 0.2342 0.2342 0.4025 0.4025 0.4203 0.4203 0.5387 0.5387 0.5433 0.5433 0.6978 0.6978 0.7045 0.7045 0.7718 0.7718 0.8063 0.8063 4.9294 4.9294 5.6602 5.6602 7.6808 7.6808 7.7867 7.7867 7.9091 7.9091 8.0234 8.0234 8.9797 8.9797 9.1070 9.1070 10.0367 10.0367 10.0634 10.0634 10.3539 10.3539 k = 0.0000 0.0000 0.2360 ( 4660 PWs) bands (ev): -33.2363 -33.2363 -33.2359 -33.2359 -14.5067 -14.5067 -14.5032 -14.5032 -14.1469 -14.1469 -14.1411 -14.1411 -14.1058 -14.1058 -14.1048 -14.1048 -1.8627 -1.8627 -1.7655 -1.7655 0.2307 0.2307 0.2335 0.2335 0.4053 0.4053 0.4172 0.4172 0.5395 0.5395 0.5426 0.5426 0.6990 0.6990 0.7034 0.7034 0.7766 0.7766 0.7996 0.7996 5.0426 5.0426 5.5307 5.5307 7.7155 7.7155 7.8226 7.8226 7.8682 7.8682 7.9808 7.9808 9.0007 9.0007 9.0861 9.0861 10.0836 10.0836 10.1107 10.1107 10.2956 10.2956 k = 0.0000 0.0000 0.2491 ( 4660 PWs) bands (ev): -33.2362 -33.2362 -33.2360 -33.2360 -14.5058 -14.5058 -14.5041 -14.5041 -14.1455 -14.1455 -14.1426 -14.1426 -14.1056 -14.1056 -14.1051 -14.1051 -1.8389 -1.8389 -1.7902 -1.7902 0.2314 0.2314 0.2328 0.2328 0.4081 0.4081 0.4141 0.4141 0.5403 0.5403 0.5418 0.5418 0.7001 0.7001 0.7023 0.7023 0.7818 0.7818 0.7933 0.7933 5.1596 5.1596 5.4039 5.4039 7.7518 7.7518 7.8282 7.8282 7.8601 7.8601 7.9393 7.9393 9.0220 9.0220 9.0649 9.0649 10.1330 10.1330 10.1605 10.1605 10.2391 10.2391 k = 0.0000 0.0000 0.2622 ( 4654 PWs) bands (ev): -33.2361 -33.2361 -33.2361 -33.2361 -14.5050 -14.5050 -14.5049 -14.5049 -14.1441 -14.1441 -14.1440 -14.1440 -14.1053 -14.1053 -14.1053 -14.1053 -1.8146 -1.8146 -1.8146 -1.8146 0.2321 0.2321 0.2321 0.2321 0.4111 0.4111 0.4111 0.4111 0.5411 0.5411 0.5411 0.5411 0.7012 0.7012 0.7012 0.7012 0.7874 0.7874 0.7874 0.7874 5.2801 5.2801 5.2801 5.2801 7.7894 7.7894 7.7894 7.7894 7.8990 7.8990 7.8990 7.8990 9.0434 9.0434 9.0434 9.0434 10.1848 10.1848 10.1848 10.1848 10.2128 10.2129 k = 0.0000 0.0000 0.2622 ( 4654 PWs) bands (ev): -33.2361 -33.2361 -33.2361 -33.2361 -14.5050 -14.5050 -14.5049 -14.5049 -14.1441 -14.1441 -14.1440 -14.1440 -14.1053 -14.1053 -14.1053 -14.1053 -1.8146 -1.8146 -1.8146 -1.8146 0.2321 0.2321 0.2321 0.2321 0.4111 0.4111 0.4111 0.4111 0.5411 0.5411 0.5411 0.5411 0.7012 0.7012 0.7012 0.7012 0.7874 0.7874 0.7874 0.7874 5.2801 5.2801 5.2801 5.2801 7.7894 7.7894 7.7894 7.7894 7.8990 7.8990 7.8990 7.8990 9.0434 9.0434 9.0434 9.0434 10.1848 10.1848 10.1848 10.1848 10.2128 10.2129 k = 0.0116 0.0067 0.2622 ( 4660 PWs) bands (ev): -33.2361 -33.2361 -33.2361 -33.2361 -14.5050 -14.5050 -14.5049 -14.5049 -14.1441 -14.1441 -14.1440 -14.1440 -14.1054 -14.1054 -14.1053 -14.1053 -1.8136 -1.8136 -1.8136 -1.8136 0.2322 0.2322 0.2322 0.2322 0.4110 0.4110 0.4110 0.4110 0.5412 0.5412 0.5412 0.5412 0.7011 0.7011 0.7011 0.7011 0.7874 0.7874 0.7874 0.7874 5.2812 5.2812 5.2812 5.2812 7.7752 7.7752 7.7752 7.7752 7.8855 7.8855 7.8855 7.8855 9.0656 9.0656 9.0656 9.0656 10.1833 10.1833 10.1833 10.1833 10.2120 10.2120 k = 0.0233 0.0134 0.2622 ( 4652 PWs) bands (ev): -33.2361 -33.2361 -33.2360 -33.2360 -14.5050 -14.5050 -14.5050 -14.5050 -14.1441 -14.1441 -14.1440 -14.1440 -14.1055 -14.1055 -14.1054 -14.1054 -1.8103 -1.8103 -1.8103 -1.8103 0.2325 0.2325 0.2325 0.2325 0.4109 0.4109 0.4109 0.4109 0.5416 0.5416 0.5416 0.5416 0.7010 0.7010 0.7010 0.7010 0.7877 0.7877 0.7877 0.7877 5.2845 5.2845 5.2845 5.2845 7.7257 7.7257 7.7257 7.7257 7.8570 7.8570 7.8570 7.8570 9.1265 9.1265 9.1265 9.1265 10.1751 10.1751 10.1752 10.1752 10.2139 10.2139 k = 0.0349 0.0201 0.2622 ( 4656 PWs) bands (ev): -33.2361 -33.2361 -33.2360 -33.2360 -14.5051 -14.5051 -14.5051 -14.5051 -14.1442 -14.1442 -14.1441 -14.1441 -14.1057 -14.1057 -14.1057 -14.1057 -1.8049 -1.8049 -1.8049 -1.8049 0.2329 0.2329 0.2329 0.2329 0.4107 0.4107 0.4107 0.4107 0.5422 0.5422 0.5422 0.5422 0.7007 0.7007 0.7007 0.7007 0.7882 0.7882 0.7882 0.7882 5.2900 5.2900 5.2901 5.2901 7.6370 7.6370 7.6371 7.6371 7.8287 7.8287 7.8287 7.8287 9.2138 9.2138 9.2138 9.2138 10.1589 10.1589 10.1589 10.1589 10.2228 10.2228 k = 0.0465 0.0269 0.2622 ( 4658 PWs) bands (ev): -33.2361 -33.2361 -33.2360 -33.2360 -14.5053 -14.5053 -14.5052 -14.5052 -14.1442 -14.1442 -14.1442 -14.1442 -14.1060 -14.1060 -14.1060 -14.1060 -1.7973 -1.7973 -1.7973 -1.7973 0.2335 0.2335 0.2335 0.2335 0.4104 0.4104 0.4104 0.4104 0.5431 0.5431 0.5431 0.5431 0.7003 0.7003 0.7003 0.7003 0.7888 0.7888 0.7888 0.7888 5.2977 5.2977 5.2977 5.2977 7.5205 7.5205 7.5206 7.5206 7.8006 7.8006 7.8006 7.8006 9.3143 9.3143 9.3143 9.3143 10.1398 10.1398 10.1398 10.1398 10.2375 10.2375 k = 0.0581 0.0336 0.2622 ( 4666 PWs) bands (ev): -33.2361 -33.2361 -33.2360 -33.2360 -14.5054 -14.5054 -14.5054 -14.5054 -14.1443 -14.1443 -14.1442 -14.1442 -14.1064 -14.1064 -14.1063 -14.1063 -1.7876 -1.7876 -1.7876 -1.7876 0.2342 0.2342 0.2342 0.2342 0.4100 0.4100 0.4100 0.4100 0.5442 0.5442 0.5442 0.5442 0.6998 0.6998 0.6998 0.6998 0.7895 0.7895 0.7895 0.7895 5.3073 5.3073 5.3073 5.3073 7.3874 7.3874 7.3874 7.3874 7.7698 7.7698 7.7698 7.7698 9.4156 9.4156 9.4156 9.4156 10.1250 10.1250 10.1250 10.1250 10.2568 10.2568 k = 0.0698 0.0403 0.2622 ( 4666 PWs) bands (ev): -33.2360 -33.2360 -33.2359 -33.2359 -14.5056 -14.5056 -14.5056 -14.5056 -14.1444 -14.1444 -14.1443 -14.1443 -14.1069 -14.1069 -14.1068 -14.1068 -1.7758 -1.7758 -1.7758 -1.7758 0.2352 0.2352 0.2352 0.2352 0.4096 0.4096 0.4096 0.4096 0.5456 0.5456 0.5456 0.5456 0.6992 0.6992 0.6992 0.6992 0.7905 0.7905 0.7905 0.7905 5.3188 5.3188 5.3189 5.3189 7.2444 7.2444 7.2444 7.2444 7.7351 7.7351 7.7352 7.7352 9.5050 9.5050 9.5050 9.5050 10.1236 10.1236 10.1236 10.1236 10.2799 10.2799 k = 0.0814 0.0470 0.2622 ( 4666 PWs) bands (ev): -33.2360 -33.2360 -33.2359 -33.2359 -14.5058 -14.5058 -14.5058 -14.5058 -14.1445 -14.1445 -14.1444 -14.1444 -14.1074 -14.1074 -14.1073 -14.1073 -1.7619 -1.7619 -1.7619 -1.7619 0.2363 0.2363 0.2363 0.2363 0.4091 0.4091 0.4091 0.4091 0.5473 0.5473 0.5473 0.5473 0.6986 0.6986 0.6986 0.6986 0.7916 0.7916 0.7916 0.7916 5.3320 5.3320 5.3320 5.3320 7.0957 7.0957 7.0958 7.0958 7.6966 7.6966 7.6966 7.6966 9.5693 9.5693 9.5693 9.5693 10.1462 10.1462 10.1462 10.1462 10.3064 10.3064 k = 0.0930 0.0537 0.2622 ( 4668 PWs) bands (ev): -33.2359 -33.2359 -33.2358 -33.2358 -14.5061 -14.5061 -14.5060 -14.5060 -14.1447 -14.1447 -14.1446 -14.1446 -14.1080 -14.1080 -14.1079 -14.1079 -1.7459 -1.7459 -1.7459 -1.7459 0.2376 0.2376 0.2376 0.2376 0.4086 0.4086 0.4086 0.4086 0.5491 0.5491 0.5491 0.5491 0.6978 0.6978 0.6978 0.6978 0.7929 0.7929 0.7929 0.7929 5.3465 5.3465 5.3465 5.3465 6.9441 6.9441 6.9441 6.9441 7.6544 7.6544 7.6544 7.6544 9.5997 9.5997 9.5997 9.5997 10.1995 10.1995 10.1995 10.1995 10.3358 10.3358 k = 0.1047 0.0604 0.2622 ( 4664 PWs) bands (ev): -33.2359 -33.2359 -33.2358 -33.2358 -14.5064 -14.5064 -14.5063 -14.5063 -14.1448 -14.1448 -14.1447 -14.1447 -14.1086 -14.1086 -14.1085 -14.1085 -1.7280 -1.7280 -1.7280 -1.7280 0.2390 0.2390 0.2390 0.2390 0.4081 0.4081 0.4081 0.4081 0.5513 0.5513 0.5513 0.5513 0.6970 0.6970 0.6970 0.6970 0.7943 0.7943 0.7943 0.7943 5.3618 5.3618 5.3618 5.3618 6.7916 6.7916 6.7916 6.7916 7.6090 7.6090 7.6090 7.6090 9.5986 9.5986 9.5986 9.5986 10.2792 10.2792 10.2792 10.2792 10.3678 10.3678 k = 0.1163 0.0671 0.2622 ( 4668 PWs) bands (ev): -33.2358 -33.2358 -33.2357 -33.2357 -14.5067 -14.5067 -14.5066 -14.5066 -14.1450 -14.1450 -14.1449 -14.1449 -14.1093 -14.1093 -14.1093 -14.1093 -1.7080 -1.7080 -1.7080 -1.7080 0.2406 0.2406 0.2406 0.2406 0.4075 0.4075 0.4075 0.4075 0.5536 0.5536 0.5536 0.5536 0.6962 0.6962 0.6962 0.6962 0.7959 0.7959 0.7959 0.7959 5.3772 5.3772 5.3772 5.3772 6.6400 6.6400 6.6400 6.6400 7.5609 7.5609 7.5609 7.5609 9.5753 9.5753 9.5753 9.5753 10.3733 10.3733 10.3734 10.3734 10.4023 10.4023 k = 0.1279 0.0738 0.2622 ( 4672 PWs) bands (ev): -33.2357 -33.2357 -33.2357 -33.2357 -14.5071 -14.5071 -14.5070 -14.5070 -14.1452 -14.1452 -14.1451 -14.1451 -14.1101 -14.1101 -14.1100 -14.1100 -1.6862 -1.6862 -1.6862 -1.6862 0.2424 0.2424 0.2424 0.2424 0.4069 0.4069 0.4069 0.4069 0.5562 0.5562 0.5562 0.5562 0.6954 0.6954 0.6954 0.6954 0.7977 0.7977 0.7977 0.7977 5.3915 5.3915 5.3915 5.3915 6.4912 6.4912 6.4912 6.4912 7.5104 7.5104 7.5105 7.5105 9.5381 9.5381 9.5381 9.5381 10.4371 10.4371 10.4371 10.4372 10.4721 10.4721 k = 0.1395 0.0806 0.2622 ( 4668 PWs) bands (ev): -33.2356 -33.2356 -33.2356 -33.2356 -14.5074 -14.5074 -14.5073 -14.5073 -14.1453 -14.1453 -14.1453 -14.1453 -14.1109 -14.1109 -14.1109 -14.1109 -1.6625 -1.6625 -1.6625 -1.6625 0.2444 0.2444 0.2444 0.2444 0.4063 0.4063 0.4063 0.4063 0.5591 0.5591 0.5591 0.5591 0.6945 0.6945 0.6945 0.6945 0.7996 0.7996 0.7996 0.7996 5.4029 5.4029 5.4029 5.4029 6.3477 6.3477 6.3477 6.3477 7.4582 7.4582 7.4582 7.4582 9.4925 9.4925 9.4926 9.4926 10.4751 10.4751 10.4751 10.4751 10.5607 10.5608 k = 0.1512 0.0873 0.2622 ( 4660 PWs) bands (ev): -33.2356 -33.2356 -33.2355 -33.2355 -14.5078 -14.5078 -14.5077 -14.5077 -14.1455 -14.1455 -14.1455 -14.1455 -14.1118 -14.1118 -14.1117 -14.1117 -1.6370 -1.6370 -1.6370 -1.6370 0.2466 0.2466 0.2466 0.2466 0.4058 0.4058 0.4058 0.4058 0.5621 0.5621 0.5621 0.5621 0.6936 0.6936 0.6936 0.6936 0.8018 0.8018 0.8018 0.8018 5.4079 5.4079 5.4079 5.4079 6.2132 6.2132 6.2132 6.2132 7.4046 7.4046 7.4047 7.4047 9.4418 9.4418 9.4418 9.4418 10.5143 10.5143 10.5143 10.5143 10.6266 10.6266 k = 0.1628 0.0940 0.2622 ( 4674 PWs) bands (ev): -33.2355 -33.2355 -33.2354 -33.2354 -14.5083 -14.5083 -14.5082 -14.5082 -14.1458 -14.1458 -14.1458 -14.1458 -14.1127 -14.1127 -14.1126 -14.1126 -1.6098 -1.6098 -1.6098 -1.6098 0.2489 0.2489 0.2489 0.2489 0.4052 0.4052 0.4052 0.4052 0.5654 0.5654 0.5654 0.5654 0.6927 0.6927 0.6927 0.6927 0.8040 0.8040 0.8040 0.8040 5.4011 5.4011 5.4011 5.4011 6.0935 6.0935 6.0935 6.0935 7.3501 7.3501 7.3501 7.3501 9.3878 9.3878 9.3878 9.3878 10.5547 10.5547 10.5547 10.5547 10.6552 10.6552 k = 0.1744 0.1007 0.2622 ( 4676 PWs) bands (ev): -33.2354 -33.2354 -33.2353 -33.2353 -14.5087 -14.5087 -14.5086 -14.5086 -14.1461 -14.1461 -14.1460 -14.1460 -14.1136 -14.1136 -14.1135 -14.1135 -1.5810 -1.5810 -1.5810 -1.5810 0.2514 0.2514 0.2514 0.2514 0.4048 0.4048 0.4048 0.4048 0.5689 0.5689 0.5689 0.5689 0.6918 0.6918 0.6918 0.6918 0.8065 0.8065 0.8065 0.8065 5.3746 5.3746 5.3746 5.3746 5.9968 5.9968 5.9968 5.9968 7.2950 7.2950 7.2950 7.2950 9.3317 9.3317 9.3317 9.3317 10.5962 10.5962 10.5962 10.5962 10.6473 10.6473 k = 0.1860 0.1074 0.2622 ( 4668 PWs) bands (ev): -33.2353 -33.2353 -33.2352 -33.2352 -14.5091 -14.5091 -14.5091 -14.5091 -14.1464 -14.1464 -14.1463 -14.1463 -14.1145 -14.1145 -14.1144 -14.1144 -1.5507 -1.5507 -1.5507 -1.5507 0.2542 0.2542 0.2542 0.2542 0.4044 0.4044 0.4044 0.4044 0.5727 0.5727 0.5727 0.5727 0.6910 0.6910 0.6910 0.6910 0.8092 0.8092 0.8092 0.8092 5.3202 5.3202 5.3202 5.3202 5.9314 5.9314 5.9314 5.9314 7.2396 7.2396 7.2396 7.2396 9.2743 9.2743 9.2743 9.2743 10.6144 10.6144 10.6144 10.6144 10.6405 10.6405 k = 0.1977 0.1141 0.2622 ( 4676 PWs) bands (ev): -33.2352 -33.2352 -33.2351 -33.2351 -14.5096 -14.5096 -14.5096 -14.5096 -14.1467 -14.1467 -14.1466 -14.1466 -14.1155 -14.1155 -14.1154 -14.1154 -1.5189 -1.5189 -1.5189 -1.5189 0.2571 0.2571 0.2571 0.2571 0.4040 0.4040 0.4040 0.4040 0.5766 0.5766 0.5766 0.5766 0.6902 0.6902 0.6902 0.6902 0.8121 0.8121 0.8121 0.8121 5.2362 5.2362 5.2362 5.2362 5.8992 5.8992 5.8992 5.8992 7.1843 7.1843 7.1843 7.1843 9.2163 9.2163 9.2163 9.2163 10.5714 10.5714 10.5714 10.5714 10.6836 10.6836 k = 0.2093 0.1208 0.2622 ( 4672 PWs) bands (ev): -33.2351 -33.2351 -33.2350 -33.2350 -14.5101 -14.5101 -14.5101 -14.5101 -14.1470 -14.1470 -14.1469 -14.1469 -14.1164 -14.1164 -14.1163 -14.1163 -1.4859 -1.4859 -1.4859 -1.4859 0.2603 0.2603 0.2603 0.2603 0.4038 0.4038 0.4038 0.4038 0.5808 0.5808 0.5808 0.5808 0.6895 0.6895 0.6895 0.6895 0.8153 0.8153 0.8153 0.8153 5.1289 5.1289 5.1289 5.1289 5.8941 5.8941 5.8941 5.8941 7.1294 7.1294 7.1294 7.1294 9.1580 9.1580 9.1580 9.1580 10.5209 10.5209 10.5209 10.5209 10.7285 10.7285 k = 0.2209 0.1276 0.2622 ( 4672 PWs) bands (ev): -33.2350 -33.2350 -33.2349 -33.2349 -14.5106 -14.5106 -14.5106 -14.5106 -14.1473 -14.1473 -14.1473 -14.1473 -14.1174 -14.1174 -14.1173 -14.1173 -1.4516 -1.4516 -1.4516 -1.4516 0.2636 0.2636 0.2636 0.2636 0.4038 0.4038 0.4038 0.4038 0.5851 0.5851 0.5851 0.5851 0.6888 0.6888 0.6888 0.6888 0.8187 0.8187 0.8187 0.8187 5.0067 5.0067 5.0067 5.0067 5.9076 5.9076 5.9076 5.9076 7.0750 7.0750 7.0750 7.0750 9.0998 9.0998 9.0998 9.0998 10.4664 10.4664 10.4664 10.4664 10.7743 10.7743 k = 0.2326 0.1343 0.2622 ( 4670 PWs) bands (ev): -33.2349 -33.2349 -33.2348 -33.2348 -14.5112 -14.5112 -14.5111 -14.5111 -14.1477 -14.1477 -14.1476 -14.1476 -14.1183 -14.1183 -14.1182 -14.1182 -1.4164 -1.4164 -1.4164 -1.4164 0.2672 0.2672 0.2672 0.2672 0.4038 0.4038 0.4038 0.4038 0.5897 0.5897 0.5897 0.5897 0.6882 0.6882 0.6882 0.6882 0.8225 0.8225 0.8225 0.8225 4.8763 4.8763 4.8763 4.8763 5.9333 5.9333 5.9334 5.9334 7.0215 7.0215 7.0215 7.0215 9.0420 9.0420 9.0421 9.0421 10.4091 10.4091 10.4091 10.4091 10.8210 10.8210 k = 0.2442 0.1410 0.2622 ( 4674 PWs) bands (ev): -33.2348 -33.2348 -33.2347 -33.2347 -14.5117 -14.5117 -14.5116 -14.5116 -14.1481 -14.1481 -14.1480 -14.1480 -14.1192 -14.1192 -14.1192 -14.1192 -1.3802 -1.3802 -1.3802 -1.3802 0.2709 0.2709 0.2709 0.2709 0.4041 0.4041 0.4041 0.4041 0.5944 0.5944 0.5944 0.5944 0.6876 0.6876 0.6876 0.6876 0.8266 0.8266 0.8266 0.8266 4.7416 4.7416 4.7416 4.7416 5.9672 5.9672 5.9673 5.9673 6.9691 6.9691 6.9691 6.9691 8.9849 8.9849 8.9849 8.9849 10.3498 10.3498 10.3499 10.3499 10.8687 10.8687 k = 0.2558 0.1477 0.2622 ( 4672 PWs) bands (ev): -33.2347 -33.2347 -33.2346 -33.2346 -14.5122 -14.5122 -14.5122 -14.5122 -14.1485 -14.1485 -14.1484 -14.1484 -14.1202 -14.1202 -14.1201 -14.1201 -1.3434 -1.3434 -1.3433 -1.3433 0.2748 0.2748 0.2748 0.2748 0.4045 0.4045 0.4045 0.4045 0.5993 0.5993 0.5993 0.5993 0.6872 0.6872 0.6872 0.6872 0.8312 0.8312 0.8312 0.8312 4.6053 4.6053 4.6053 4.6053 6.0069 6.0069 6.0069 6.0069 6.9179 6.9179 6.9179 6.9179 8.9286 8.9286 8.9286 8.9286 10.2891 10.2891 10.2891 10.2891 10.9171 10.9171 k = 0.2674 0.1544 0.2622 ( 4676 PWs) bands (ev): -33.2346 -33.2346 -33.2345 -33.2345 -14.5128 -14.5128 -14.5127 -14.5127 -14.1489 -14.1489 -14.1488 -14.1488 -14.1210 -14.1210 -14.1210 -14.1210 -1.3060 -1.3060 -1.3060 -1.3060 0.2790 0.2790 0.2790 0.2790 0.4052 0.4052 0.4052 0.4052 0.6043 0.6043 0.6043 0.6043 0.6869 0.6869 0.6869 0.6869 0.8362 0.8362 0.8362 0.8362 4.4688 4.4688 4.4688 4.4688 6.0507 6.0507 6.0507 6.0507 6.8681 6.8681 6.8681 6.8681 8.8733 8.8733 8.8733 8.8733 10.2271 10.2271 10.2271 10.2271 10.9664 10.9664 k = 0.2791 0.1611 0.2622 ( 4680 PWs) bands (ev): -33.2345 -33.2345 -33.2344 -33.2344 -14.5133 -14.5133 -14.5132 -14.5132 -14.1494 -14.1494 -14.1493 -14.1493 -14.1219 -14.1219 -14.1218 -14.1218 -1.2683 -1.2683 -1.2683 -1.2683 0.2832 0.2832 0.2832 0.2832 0.4061 0.4061 0.4061 0.4061 0.6094 0.6094 0.6094 0.6094 0.6867 0.6867 0.6867 0.6867 0.8418 0.8418 0.8418 0.8418 4.3332 4.3332 4.3332 4.3332 6.0978 6.0978 6.0978 6.0978 6.8200 6.8200 6.8200 6.8200 8.8192 8.8192 8.8192 8.8192 10.1642 10.1642 10.1642 10.1642 11.0164 11.0164 k = 0.2907 0.1678 0.2622 ( 4676 PWs) bands (ev): -33.2344 -33.2344 -33.2343 -33.2343 -14.5138 -14.5138 -14.5138 -14.5138 -14.1498 -14.1498 -14.1497 -14.1497 -14.1227 -14.1227 -14.1226 -14.1226 -1.2305 -1.2305 -1.2305 -1.2305 0.2876 0.2876 0.2876 0.2876 0.4074 0.4074 0.4074 0.4074 0.6147 0.6147 0.6147 0.6147 0.6866 0.6866 0.6866 0.6866 0.8480 0.8480 0.8480 0.8480 4.1992 4.1992 4.1992 4.1992 6.1474 6.1474 6.1474 6.1474 6.7735 6.7735 6.7735 6.7735 8.7664 8.7664 8.7664 8.7664 10.1006 10.1006 10.1006 10.1006 11.0671 11.0671 k = 0.3023 0.1745 0.2622 ( 4680 PWs) bands (ev): -33.2343 -33.2343 -33.2342 -33.2342 -14.5144 -14.5144 -14.5143 -14.5143 -14.1503 -14.1503 -14.1502 -14.1502 -14.1235 -14.1235 -14.1234 -14.1234 -1.1928 -1.1928 -1.1928 -1.1928 0.2920 0.2920 0.2920 0.2920 0.4089 0.4089 0.4089 0.4089 0.6200 0.6200 0.6200 0.6200 0.6867 0.6867 0.6867 0.6867 0.8550 0.8550 0.8550 0.8550 4.0674 4.0674 4.0674 4.0674 6.1989 6.1989 6.1989 6.1989 6.7290 6.7290 6.7290 6.7290 8.7150 8.7150 8.7150 8.7150 10.0364 10.0364 10.0364 10.0364 11.1184 11.1184 k = 0.3140 0.1813 0.2622 ( 4670 PWs) bands (ev): -33.2342 -33.2342 -33.2341 -33.2341 -14.5149 -14.5149 -14.5148 -14.5148 -14.1507 -14.1507 -14.1507 -14.1507 -14.1242 -14.1242 -14.1241 -14.1241 -1.1554 -1.1554 -1.1554 -1.1554 0.2965 0.2965 0.2965 0.2965 0.4108 0.4108 0.4108 0.4108 0.6254 0.6254 0.6254 0.6254 0.6869 0.6869 0.6869 0.6869 0.8628 0.8628 0.8628 0.8628 3.9383 3.9383 3.9383 3.9383 6.2519 6.2519 6.2519 6.2519 6.6866 6.6866 6.6866 6.6866 8.6651 8.6651 8.6652 8.6652 9.9721 9.9721 9.9721 9.9721 11.1703 11.1703 k = 0.3256 0.1880 0.2622 ( 4674 PWs) bands (ev): -33.2341 -33.2341 -33.2341 -33.2341 -14.5154 -14.5154 -14.5153 -14.5153 -14.1512 -14.1512 -14.1512 -14.1512 -14.1248 -14.1248 -14.1248 -14.1248 -1.1187 -1.1187 -1.1187 -1.1187 0.3009 0.3009 0.3009 0.3009 0.4131 0.4131 0.4131 0.4131 0.6307 0.6307 0.6307 0.6307 0.6873 0.6873 0.6873 0.6873 0.8716 0.8716 0.8716 0.8716 3.8123 3.8123 3.8123 3.8123 6.3058 6.3058 6.3058 6.3058 6.6465 6.6465 6.6465 6.6465 8.6169 8.6169 8.6169 8.6169 9.9079 9.9079 9.9079 9.9079 11.2228 11.2228 k = 0.3372 0.1947 0.2622 ( 4678 PWs) bands (ev): -33.2340 -33.2340 -33.2340 -33.2340 -14.5159 -14.5159 -14.5158 -14.5158 -14.1517 -14.1517 -14.1517 -14.1517 -14.1255 -14.1255 -14.1254 -14.1254 -1.0829 -1.0829 -1.0829 -1.0829 0.3051 0.3051 0.3051 0.3051 0.4157 0.4157 0.4157 0.4157 0.6359 0.6359 0.6359 0.6359 0.6879 0.6879 0.6879 0.6879 0.8815 0.8815 0.8815 0.8815 3.6897 3.6897 3.6897 3.6897 6.3601 6.3601 6.3601 6.3601 6.6089 6.6089 6.6089 6.6089 8.5703 8.5703 8.5703 8.5703 9.8442 9.8442 9.8442 9.8442 11.2756 11.2756 k = 0.3488 0.2014 0.2622 ( 4674 PWs) bands (ev): -33.2340 -33.2340 -33.2339 -33.2339 -14.5164 -14.5164 -14.5163 -14.5163 -14.1522 -14.1522 -14.1521 -14.1521 -14.1260 -14.1260 -14.1260 -14.1260 -1.0482 -1.0482 -1.0482 -1.0482 0.3091 0.3091 0.3091 0.3091 0.4187 0.4187 0.4187 0.4187 0.6410 0.6410 0.6410 0.6410 0.6887 0.6887 0.6887 0.6887 0.8925 0.8925 0.8925 0.8925 3.5711 3.5711 3.5711 3.5711 6.4137 6.4137 6.4137 6.4137 6.5748 6.5748 6.5748 6.5748 8.5255 8.5255 8.5255 8.5255 9.7814 9.7814 9.7814 9.7814 11.3288 11.3289 k = 0.3605 0.2081 0.2622 ( 4682 PWs) bands (ev): -33.2339 -33.2339 -33.2338 -33.2338 -14.5168 -14.5168 -14.5168 -14.5168 -14.1527 -14.1527 -14.1526 -14.1526 -14.1266 -14.1266 -14.1265 -14.1265 -1.0149 -1.0149 -1.0148 -1.0148 0.3129 0.3129 0.3129 0.3129 0.4220 0.4220 0.4220 0.4220 0.6457 0.6457 0.6457 0.6457 0.6896 0.6896 0.6896 0.6896 0.9048 0.9048 0.9048 0.9048 3.4568 3.4568 3.4568 3.4568 6.4627 6.4627 6.4627 6.4627 6.5474 6.5474 6.5474 6.5474 8.4825 8.4825 8.4825 8.4825 9.7200 9.7200 9.7200 9.7200 11.3823 11.3823 k = 0.3721 0.2148 0.2622 ( 4674 PWs) bands (ev): -33.2338 -33.2338 -33.2337 -33.2337 -14.5172 -14.5172 -14.5172 -14.5172 -14.1531 -14.1531 -14.1531 -14.1531 -14.1270 -14.1270 -14.1270 -14.1270 -0.9832 -0.9832 -0.9832 -0.9832 0.3164 0.3164 0.3164 0.3164 0.4256 0.4256 0.4256 0.4256 0.6502 0.6502 0.6502 0.6502 0.6908 0.6908 0.6908 0.6908 0.9185 0.9185 0.9185 0.9185 3.3473 3.3473 3.3473 3.3473 6.4843 6.4843 6.4843 6.4843 6.5494 6.5494 6.5494 6.5494 8.4413 8.4413 8.4414 8.4414 9.6604 9.6604 9.6604 9.6604 11.4359 11.4359 k = 0.3837 0.2215 0.2622 ( 4674 PWs) bands (ev): -33.2337 -33.2337 -33.2337 -33.2337 -14.5176 -14.5176 -14.5176 -14.5176 -14.1536 -14.1536 -14.1535 -14.1535 -14.1275 -14.1275 -14.1274 -14.1274 -0.9534 -0.9534 -0.9534 -0.9534 0.3195 0.3195 0.3195 0.3195 0.4294 0.4294 0.4294 0.4294 0.6542 0.6542 0.6542 0.6542 0.6922 0.6922 0.6922 0.6922 0.9334 0.9334 0.9334 0.9334 3.2432 3.2432 3.2432 3.2432 6.4672 6.4672 6.4672 6.4672 6.5917 6.5917 6.5917 6.5917 8.4022 8.4022 8.4022 8.4022 9.6033 9.6033 9.6033 9.6033 11.4896 11.4896 k = 0.3953 0.2283 0.2622 ( 4666 PWs) bands (ev): -33.2337 -33.2337 -33.2336 -33.2336 -14.5180 -14.5180 -14.5179 -14.5179 -14.1540 -14.1540 -14.1539 -14.1539 -14.1278 -14.1278 -14.1278 -14.1278 -0.9258 -0.9258 -0.9258 -0.9258 0.3223 0.3223 0.3223 0.3223 0.4333 0.4333 0.4333 0.4333 0.6577 0.6577 0.6577 0.6577 0.6938 0.6938 0.6938 0.6938 0.9495 0.9495 0.9495 0.9495 3.1451 3.1451 3.1451 3.1451 6.4437 6.4437 6.4437 6.4437 6.6412 6.6412 6.6412 6.6412 8.3652 8.3652 8.3652 8.3652 9.5492 9.5492 9.5492 9.5492 11.5433 11.5433 k = 0.4070 0.2350 0.2622 ( 4666 PWs) bands (ev): -33.2336 -33.2336 -33.2335 -33.2335 -14.5183 -14.5183 -14.5183 -14.5183 -14.1544 -14.1544 -14.1543 -14.1543 -14.1282 -14.1282 -14.1281 -14.1281 -0.9005 -0.9005 -0.9005 -0.9005 0.3247 0.3247 0.3247 0.3247 0.4371 0.4371 0.4371 0.4371 0.6608 0.6608 0.6608 0.6608 0.6954 0.6954 0.6954 0.6954 0.9665 0.9665 0.9665 0.9665 3.0535 3.0535 3.0535 3.0535 6.4212 6.4212 6.4212 6.4212 6.6903 6.6903 6.6903 6.6903 8.3305 8.3305 8.3305 8.3305 9.4987 9.4987 9.4987 9.4987 11.5967 11.5967 k = 0.4186 0.2417 0.2622 ( 4668 PWs) bands (ev): -33.2335 -33.2335 -33.2335 -33.2335 -14.5186 -14.5186 -14.5186 -14.5186 -14.1547 -14.1547 -14.1547 -14.1547 -14.1285 -14.1285 -14.1284 -14.1284 -0.8778 -0.8778 -0.8778 -0.8778 0.3268 0.3268 0.3268 0.3268 0.4408 0.4408 0.4408 0.4408 0.6634 0.6634 0.6634 0.6634 0.6972 0.6972 0.6972 0.6972 0.9840 0.9840 0.9840 0.9840 2.9693 2.9693 2.9693 2.9693 6.4008 6.4008 6.4008 6.4008 6.7370 6.7370 6.7370 6.7370 8.2983 8.2983 8.2983 8.2983 9.4523 9.4523 9.4523 9.4523 11.6499 11.6499 k = 0.4302 0.2484 0.2622 ( 4666 PWs) bands (ev): -33.2335 -33.2335 -33.2334 -33.2334 -14.5189 -14.5189 -14.5188 -14.5188 -14.1550 -14.1550 -14.1550 -14.1550 -14.1287 -14.1287 -14.1287 -14.1287 -0.8578 -0.8578 -0.8578 -0.8578 0.3285 0.3285 0.3285 0.3285 0.4442 0.4442 0.4442 0.4442 0.6655 0.6655 0.6655 0.6655 0.6988 0.6988 0.6988 0.6988 1.0016 1.0016 1.0016 1.0016 2.8934 2.8934 2.8934 2.8934 6.3829 6.3829 6.3829 6.3829 6.7803 6.7803 6.7803 6.7803 8.2689 8.2689 8.2690 8.2690 9.4107 9.4107 9.4107 9.4107 11.7025 11.7025 k = 0.4419 0.2551 0.2622 ( 4668 PWs) bands (ev): -33.2335 -33.2335 -33.2334 -33.2334 -14.5191 -14.5191 -14.5191 -14.5191 -14.1553 -14.1553 -14.1552 -14.1552 -14.1289 -14.1289 -14.1289 -14.1289 -0.8406 -0.8406 -0.8406 -0.8406 0.3299 0.3299 0.3299 0.3299 0.4473 0.4473 0.4473 0.4473 0.6672 0.6672 0.6672 0.6672 0.7004 0.7004 0.7004 0.7004 1.0185 1.0185 1.0185 1.0185 2.8267 2.8267 2.8267 2.8267 6.3675 6.3675 6.3675 6.3675 6.8193 6.8193 6.8193 6.8193 8.2428 8.2428 8.2428 8.2428 9.3744 9.3744 9.3744 9.3744 11.7544 11.7544 k = 0.4535 0.2618 0.2622 ( 4672 PWs) bands (ev): -33.2334 -33.2334 -33.2334 -33.2334 -14.5193 -14.5193 -14.5193 -14.5193 -14.1555 -14.1555 -14.1555 -14.1555 -14.1291 -14.1291 -14.1291 -14.1291 -0.8265 -0.8265 -0.8265 -0.8265 0.3310 0.3310 0.3310 0.3310 0.4499 0.4499 0.4499 0.4499 0.6685 0.6685 0.6685 0.6685 0.7018 0.7018 0.7018 0.7018 1.0341 1.0341 1.0341 1.0341 2.7701 2.7701 2.7701 2.7701 6.3549 6.3549 6.3549 6.3549 6.8529 6.8529 6.8529 6.8529 8.2204 8.2204 8.2204 8.2204 9.3439 9.3439 9.3439 9.3439 11.8053 11.8053 k = 0.4651 0.2685 0.2622 ( 4678 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5195 -14.5195 -14.5194 -14.5194 -14.1557 -14.1557 -14.1557 -14.1557 -14.1293 -14.1293 -14.1292 -14.1292 -0.8153 -0.8153 -0.8153 -0.8153 0.3318 0.3318 0.3318 0.3318 0.4521 0.4521 0.4521 0.4521 0.6694 0.6694 0.6694 0.6694 0.7029 0.7029 0.7029 0.7029 1.0474 1.0474 1.0474 1.0474 2.7247 2.7247 2.7247 2.7247 6.3450 6.3450 6.3450 6.3450 6.8802 6.8802 6.8802 6.8802 8.2022 8.2022 8.2022 8.2022 9.3196 9.3196 9.3196 9.3196 11.8548 11.8548 k = 0.4767 0.2752 0.2622 ( 4678 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5196 -14.5196 -14.5195 -14.5195 -14.1559 -14.1559 -14.1558 -14.1558 -14.1294 -14.1294 -14.1293 -14.1293 -0.8073 -0.8073 -0.8073 -0.8073 0.3324 0.3324 0.3324 0.3324 0.4536 0.4536 0.4536 0.4536 0.6701 0.6701 0.6701 0.6701 0.7038 0.7038 0.7038 0.7038 1.0576 1.0576 1.0576 1.0576 2.6915 2.6915 2.6915 2.6915 6.3379 6.3379 6.3379 6.3379 6.9005 6.9005 6.9005 6.9005 8.1887 8.1887 8.1887 8.1887 9.3021 9.3021 9.3021 9.3021 11.9016 11.9016 k = 0.4884 0.2820 0.2622 ( 4686 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5197 -14.5197 -14.5196 -14.5196 -14.1560 -14.1560 -14.1559 -14.1559 -14.1294 -14.1294 -14.1294 -14.1294 -0.8025 -0.8025 -0.8025 -0.8025 0.3328 0.3328 0.3328 0.3328 0.4545 0.4545 0.4545 0.4545 0.6705 0.6705 0.6705 0.6705 0.7042 0.7042 0.7042 0.7042 1.0641 1.0641 1.0641 1.0641 2.6712 2.6712 2.6712 2.6712 6.3337 6.3337 6.3337 6.3337 6.9129 6.9129 6.9129 6.9129 8.1804 8.1804 8.1804 8.1804 9.2914 9.2914 9.2914 9.2914 11.9421 11.9421 k = 0.5000 0.2887 0.2622 ( 4688 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5197 -14.5197 -14.5196 -14.5196 -14.1560 -14.1560 -14.1559 -14.1559 -14.1295 -14.1295 -14.1294 -14.1294 -0.8009 -0.8009 -0.8009 -0.8009 0.3329 0.3329 0.3329 0.3329 0.4548 0.4548 0.4548 0.4548 0.6706 0.6706 0.6706 0.6706 0.7044 0.7044 0.7044 0.7044 1.0663 1.0663 1.0663 1.0663 2.6644 2.6644 2.6644 2.6644 6.3323 6.3323 6.3323 6.3323 6.9171 6.9171 6.9171 6.9171 8.1776 8.1776 8.1776 8.1776 9.2878 9.2878 9.2878 9.2878 11.9618 11.9619 k = 0.5000 0.2887 0.2622 ( 4688 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5197 -14.5197 -14.5196 -14.5196 -14.1560 -14.1560 -14.1559 -14.1559 -14.1295 -14.1295 -14.1294 -14.1294 -0.8009 -0.8009 -0.8009 -0.8009 0.3329 0.3329 0.3329 0.3329 0.4548 0.4548 0.4548 0.4548 0.6706 0.6706 0.6706 0.6706 0.7044 0.7044 0.7044 0.7044 1.0663 1.0663 1.0663 1.0663 2.6644 2.6644 2.6644 2.6644 6.3323 6.3323 6.3323 6.3323 6.9171 6.9171 6.9171 6.9171 8.1776 8.1776 8.1776 8.1776 9.2878 9.2878 9.2878 9.2878 11.9618 11.9619 k = 0.4933 0.3002 0.2622 ( 4684 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5197 -14.5197 -14.5196 -14.5196 -14.1560 -14.1560 -14.1559 -14.1559 -14.1295 -14.1295 -14.1294 -14.1294 -0.8025 -0.8025 -0.7984 -0.7984 0.3320 0.3320 0.3337 0.3337 0.4459 0.4459 0.4638 0.4638 0.6700 0.6700 0.6712 0.6712 0.7035 0.7035 0.7053 0.7053 1.0605 1.0605 1.0730 1.0730 2.6645 2.6645 2.6655 2.6655 6.3200 6.3200 6.3223 6.3223 6.9175 6.9175 6.9188 6.9188 8.1805 8.1805 8.1811 8.1811 9.2981 9.2981 9.2982 9.2982 11.9550 11.9553 k = 0.4867 0.3118 0.2622 ( 4684 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5197 -14.5197 -14.5197 -14.5197 -14.1559 -14.1559 -14.1559 -14.1559 -14.1296 -14.1296 -14.1295 -14.1295 -0.8032 -0.8032 -0.7950 -0.7950 0.3312 0.3312 0.3345 0.3345 0.4371 0.4371 0.4728 0.4728 0.6694 0.6694 0.6718 0.6718 0.7024 0.7024 0.7060 0.7060 1.0558 1.0558 1.0808 1.0808 2.6658 2.6658 2.6678 2.6678 6.2865 6.2865 6.2908 6.2908 6.9198 6.9198 6.9223 6.9223 8.1893 8.1893 8.1905 8.1905 9.3290 9.3290 9.3292 9.3292 11.9364 11.9368 k = 0.4800 0.3233 0.2622 ( 4676 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5197 -14.5197 -14.5197 -14.5197 -14.1558 -14.1558 -14.1558 -14.1558 -14.1297 -14.1297 -14.1297 -14.1297 -0.8030 -0.8030 -0.7907 -0.7907 0.3304 0.3304 0.3353 0.3353 0.4284 0.4284 0.4818 0.4818 0.6687 0.6687 0.6723 0.6723 0.7013 0.7013 0.7065 0.7065 1.0523 1.0523 1.0894 1.0894 2.6683 2.6683 2.6712 2.6712 6.2338 6.2338 6.2400 6.2400 6.9239 6.9239 6.9274 6.9274 8.2025 8.2025 8.2042 8.2042 9.3799 9.3799 9.3802 9.3802 11.9096 11.9099 k = 0.4733 0.3349 0.2622 ( 4668 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5197 -14.5197 -14.5197 -14.5197 -14.1557 -14.1557 -14.1556 -14.1556 -14.1300 -14.1300 -14.1299 -14.1299 -0.8019 -0.8019 -0.7856 -0.7856 0.3295 0.3295 0.3361 0.3361 0.4198 0.4198 0.4908 0.4908 0.6680 0.6680 0.6727 0.6727 0.7001 0.7001 0.7069 0.7069 1.0498 1.0498 1.0989 1.0989 2.6718 2.6718 2.6759 2.6759 6.1650 6.1650 6.1727 6.1727 6.9296 6.9296 6.9338 6.9338 8.2182 8.2182 8.2204 8.2204 9.4497 9.4497 9.4502 9.4502 11.8772 11.8780 k = 0.4667 0.3464 0.2622 ( 4668 PWs) bands (ev): -33.2333 -33.2333 -33.2333 -33.2333 -14.5198 -14.5198 -14.5197 -14.5197 -14.1555 -14.1555 -14.1555 -14.1555 -14.1303 -14.1303 -14.1302 -14.1302 -0.8000 -0.8000 -0.7796 -0.7796 0.3287 0.3287 0.3369 0.3369 0.4115 0.4115 0.4996 0.4996 0.6673 0.6673 0.6730 0.6730 0.6989 0.6989 0.7070 0.7070 1.0485 1.0485 1.1093 1.1093 2.6764 2.6764 2.6815 2.6815 6.0834 6.0834 6.0924 6.0924 6.9367 6.9367 6.9413 6.9413 8.2348 8.2348 8.2374 8.2374 9.5371 9.5371 9.5379 9.5379 11.8421 11.8432 k = 0.4600 0.3580 0.2622 ( 4656 PWs) bands (ev): -33.2333 -33.2333 -33.2332 -33.2332 -14.5198 -14.5198 -14.5197 -14.5197 -14.1553 -14.1553 -14.1553 -14.1553 -14.1306 -14.1306 -14.1305 -14.1305 -0.7973 -0.7973 -0.7728 -0.7728 0.3279 0.3279 0.3376 0.3376 0.4034 0.4034 0.5084 0.5084 0.6665 0.6665 0.6733 0.6733 0.6977 0.6977 0.7070 0.7070 1.0484 1.0484 1.1203 1.1203 2.6820 2.6820 2.6882 2.6882 5.9919 5.9919 6.0021 6.0021 6.9451 6.9451 6.9499 6.9499 8.2509 8.2509 8.2539 8.2539 9.6403 9.6403 9.6413 9.6413 11.8064 11.8073 k = 0.4533 0.3695 0.2622 ( 4652 PWs) bands (ev): -33.2333 -33.2333 -33.2332 -33.2332 -14.5198 -14.5198 -14.5198 -14.5198 -14.1551 -14.1551 -14.1550 -14.1550 -14.1310 -14.1310 -14.1310 -14.1310 -0.7939 -0.7939 -0.7653 -0.7653 0.3271 0.3271 0.3382 0.3382 0.3955 0.3955 0.5170 0.5170 0.6658 0.6658 0.6735 0.6735 0.6965 0.6965 0.7067 0.7067 1.0494 1.0494 1.1321 1.1321 2.6884 2.6884 2.6959 2.6959 5.8933 5.8933 5.9046 5.9046 6.9546 6.9546 6.9596 6.9596 8.2657 8.2657 8.2690 8.2690 9.7571 9.7571 9.7584 9.7584 11.7699 11.7702 k = 0.4467 0.3811 0.2622 ( 4652 PWs) bands (ev): -33.2333 -33.2333 -33.2332 -33.2332 -14.5199 -14.5199 -14.5198 -14.5198 -14.1549 -14.1549 -14.1548 -14.1548 -14.1315 -14.1315 -14.1314 -14.1314 -0.7897 -0.7897 -0.7571 -0.7571 0.3264 0.3264 0.3388 0.3388 0.3880 0.3880 0.5254 0.5254 0.6651 0.6651 0.6735 0.6735 0.6954 0.6954 0.7062 0.7062 1.0516 1.0516 1.1445 1.1445 2.6955 2.6955 2.7043 2.7043 5.7900 5.7900 5.8024 5.8024 6.9652 6.9652 6.9703 6.9703 8.2787 8.2787 8.2823 8.2823 9.8854 9.8854 9.8872 9.8872 11.7342 11.7345 k = 0.4400 0.3926 0.2622 ( 4656 PWs) bands (ev): -33.2333 -33.2333 -33.2332 -33.2332 -14.5200 -14.5200 -14.5199 -14.5199 -14.1546 -14.1546 -14.1545 -14.1545 -14.1321 -14.1321 -14.1320 -14.1320 -0.7850 -0.7850 -0.7484 -0.7484 0.3256 0.3256 0.3394 0.3394 0.3808 0.3808 0.5337 0.5337 0.6644 0.6644 0.6735 0.6735 0.6943 0.6943 0.7055 0.7055 1.0549 1.0549 1.1574 1.1574 2.7031 2.7031 2.7133 2.7133 5.6839 5.6839 5.6976 5.6976 6.9769 6.9769 6.9819 6.9819 8.2897 8.2897 8.2935 8.2935 10.0231 10.0231 10.0254 10.0254 11.7000 11.7009 k = 0.4333 0.4041 0.2622 ( 4652 PWs) bands (ev): -33.2332 -33.2332 -33.2332 -33.2332 -14.5200 -14.5200 -14.5199 -14.5199 -14.1543 -14.1543 -14.1542 -14.1542 -14.1326 -14.1326 -14.1326 -14.1326 -0.7798 -0.7798 -0.7391 -0.7391 0.3250 0.3250 0.3399 0.3399 0.3740 0.3740 0.5418 0.5418 0.6637 0.6637 0.6733 0.6733 0.6934 0.6934 0.7047 0.7047 1.0592 1.0592 1.1708 1.1708 2.7112 2.7112 2.7228 2.7228 5.5769 5.5769 5.5919 5.5919 6.9894 6.9894 6.9945 6.9945 8.2987 8.2987 8.3028 8.3028 10.1682 10.1682 10.1710 10.1710 11.6680 11.6687 k = 0.4267 0.4157 0.2622 ( 4660 PWs) bands (ev): -33.2332 -33.2332 -33.2332 -33.2332 -14.5201 -14.5201 -14.5200 -14.5200 -14.1540 -14.1540 -14.1539 -14.1539 -14.1333 -14.1333 -14.1332 -14.1332 -0.7741 -0.7741 -0.7295 -0.7295 0.3243 0.3243 0.3403 0.3403 0.3676 0.3676 0.5497 0.5497 0.6631 0.6631 0.6731 0.6731 0.6925 0.6925 0.7036 0.7036 1.0646 1.0646 1.1846 1.1846 2.7194 2.7194 2.7326 2.7326 5.4705 5.4705 5.4867 5.4867 7.0029 7.0029 7.0080 7.0080 8.3058 8.3058 8.3101 8.3101 10.3188 10.3188 10.3222 10.3222 11.6379 11.6389 k = 0.4200 0.4272 0.2622 ( 4660 PWs) bands (ev): -33.2332 -33.2332 -33.2331 -33.2331 -14.5202 -14.5202 -14.5201 -14.5201 -14.1536 -14.1536 -14.1536 -14.1536 -14.1339 -14.1339 -14.1339 -14.1339 -0.7680 -0.7680 -0.7195 -0.7195 0.3237 0.3237 0.3406 0.3406 0.3617 0.3617 0.5573 0.5573 0.6625 0.6625 0.6727 0.6727 0.6917 0.6917 0.7024 0.7024 1.0709 1.0709 1.1987 1.1987 2.7275 2.7275 2.7424 2.7424 5.3658 5.3658 5.3835 5.3835 7.0171 7.0171 7.0223 7.0223 8.3110 8.3110 8.3156 8.3156 10.4729 10.4729 10.4771 10.4771 11.6115 11.6119 k = 0.4133 0.4388 0.2622 ( 4666 PWs) bands (ev): -33.2332 -33.2332 -33.2331 -33.2331 -14.5203 -14.5203 -14.5202 -14.5202 -14.1533 -14.1533 -14.1532 -14.1532 -14.1346 -14.1346 -14.1345 -14.1345 -0.7617 -0.7617 -0.7094 -0.7094 0.3231 0.3231 0.3409 0.3409 0.3563 0.3563 0.5647 0.5647 0.6619 0.6619 0.6723 0.6723 0.6911 0.6911 0.7010 0.7010 1.0780 1.0780 1.2130 1.2130 2.7354 2.7354 2.7519 2.7519 5.2642 5.2642 5.2835 5.2835 7.0320 7.0320 7.0372 7.0372 8.3145 8.3145 8.3192 8.3192 10.6286 10.6286 10.6336 10.6336 11.5875 11.5887 k = 0.4067 0.4503 0.2622 ( 4664 PWs) bands (ev): -33.2332 -33.2332 -33.2331 -33.2331 -14.5204 -14.5204 -14.5203 -14.5203 -14.1529 -14.1529 -14.1528 -14.1528 -14.1353 -14.1353 -14.1352 -14.1352 -0.7552 -0.7552 -0.6992 -0.6992 0.3226 0.3226 0.3410 0.3410 0.3514 0.3514 0.5719 0.5719 0.6614 0.6614 0.6718 0.6718 0.6905 0.6905 0.6996 0.6996 1.0859 1.0859 1.2275 1.2275 2.7427 2.7427 2.7610 2.7610 5.1667 5.1667 5.1876 5.1876 7.0475 7.0475 7.0527 7.0527 8.3163 8.3163 8.3212 8.3212 10.7835 10.7835 10.7896 10.7896 11.5688 11.5691 k = 0.4000 0.4619 0.2622 ( 4656 PWs) bands (ev): -33.2331 -33.2331 -33.2331 -33.2331 -14.5204 -14.5204 -14.5203 -14.5203 -14.1525 -14.1525 -14.1524 -14.1524 -14.1360 -14.1360 -14.1359 -14.1359 -0.7487 -0.7487 -0.6891 -0.6891 0.3222 0.3222 0.3410 0.3410 0.3472 0.3472 0.5787 0.5787 0.6610 0.6610 0.6712 0.6712 0.6901 0.6901 0.6981 0.6981 1.0945 1.0945 1.2420 1.2420 2.7492 2.7492 2.7693 2.7693 5.0744 5.0744 5.0969 5.0969 7.0633 7.0633 7.0685 7.0685 8.3164 8.3164 8.3216 8.3216 10.9348 10.9348 10.9419 10.9419 11.5563 11.5564 k = 0.3933 0.4734 0.2622 ( 4656 PWs) bands (ev): -33.2331 -33.2331 -33.2331 -33.2331 -14.5205 -14.5205 -14.5204 -14.5204 -14.1521 -14.1521 -14.1520 -14.1520 -14.1367 -14.1367 -14.1366 -14.1366 -0.7422 -0.7422 -0.6793 -0.6793 0.3218 0.3218 0.3406 0.3406 0.3437 0.3437 0.5851 0.5851 0.6607 0.6607 0.6707 0.6707 0.6898 0.6898 0.6964 0.6964 1.1035 1.1035 1.2564 1.2564 2.7545 2.7545 2.7765 2.7765 4.9881 4.9881 5.0124 5.0124 7.0793 7.0793 7.0845 7.0845 8.3151 8.3151 8.3204 8.3204 11.0780 11.0781 11.0861 11.0861 11.5514 11.5516 k = 0.3867 0.4850 0.2622 ( 4654 PWs) bands (ev): -33.2331 -33.2331 -33.2330 -33.2330 -14.5206 -14.5206 -14.5205 -14.5205 -14.1517 -14.1517 -14.1516 -14.1516 -14.1374 -14.1374 -14.1373 -14.1373 -0.7359 -0.7359 -0.6698 -0.6698 0.3214 0.3214 0.3390 0.3390 0.3420 0.3420 0.5912 0.5912 0.6605 0.6605 0.6701 0.6701 0.6895 0.6895 0.6947 0.6947 1.1127 1.1127 1.2705 1.2705 2.7586 2.7586 2.7824 2.7824 4.9088 4.9088 4.9349 4.9349 7.0952 7.0952 7.1004 7.1004 8.3125 8.3125 8.3179 8.3179 11.2055 11.2055 11.2137 11.2137 11.5589 11.5595 k = 0.3800 0.4965 0.2622 ( 4656 PWs) bands (ev): -33.2331 -33.2331 -33.2330 -33.2330 -14.5207 -14.5207 -14.5206 -14.5206 -14.1512 -14.1512 -14.1512 -14.1512 -14.1381 -14.1381 -14.1380 -14.1380 -0.7299 -0.7299 -0.6609 -0.6609 0.3211 0.3211 0.3366 0.3366 0.3414 0.3414 0.5967 0.5967 0.6605 0.6605 0.6696 0.6696 0.6893 0.6893 0.6930 0.6930 1.1221 1.1221 1.2840 1.2840 2.7612 2.7612 2.7867 2.7867 4.8373 4.8373 4.8651 4.8651 7.1107 7.1107 7.1160 7.1160 8.3087 8.3087 8.3143 8.3143 11.3049 11.3049 11.3111 11.3111 11.5879 11.5884 k = 0.3733 0.5081 0.2622 ( 4660 PWs) bands (ev): -33.2331 -33.2331 -33.2330 -33.2330 -14.5207 -14.5207 -14.5207 -14.5207 -14.1509 -14.1509 -14.1508 -14.1508 -14.1387 -14.1387 -14.1387 -14.1387 -0.7243 -0.7243 -0.6526 -0.6526 0.3209 0.3209 0.3345 0.3345 0.3411 0.3411 0.6017 0.6017 0.6607 0.6607 0.6691 0.6691 0.6891 0.6891 0.6912 0.6912 1.1313 1.1313 1.2969 1.2969 2.7622 2.7622 2.7893 2.7893 4.7744 4.7744 4.8038 4.8038 7.1256 7.1256 7.1309 7.1309 8.3040 8.3040 8.3097 8.3097 11.3661 11.3661 11.3686 11.3686 11.6428 11.6429 k = 0.3667 0.5196 0.2622 ( 4656 PWs) bands (ev): -33.2331 -33.2331 -33.2330 -33.2330 -14.5208 -14.5208 -14.5207 -14.5207 -14.1505 -14.1505 -14.1504 -14.1504 -14.1393 -14.1393 -14.1392 -14.1392 -0.7192 -0.7192 -0.6452 -0.6452 0.3207 0.3207 0.3329 0.3329 0.3407 0.3407 0.6060 0.6060 0.6611 0.6611 0.6686 0.6686 0.6890 0.6890 0.6895 0.6895 1.1401 1.1401 1.3087 1.3087 2.7618 2.7618 2.7903 2.7903 4.7206 4.7206 4.7515 4.7515 7.1395 7.1395 7.1448 7.1448 8.2987 8.2987 8.3046 8.3046 11.3968 11.3968 11.3971 11.3971 11.7101 11.7101 k = 0.3600 0.5312 0.2622 ( 4658 PWs) bands (ev): -33.2330 -33.2330 -33.2330 -33.2330 -14.5209 -14.5209 -14.5208 -14.5208 -14.1502 -14.1502 -14.1501 -14.1501 -14.1398 -14.1398 -14.1398 -14.1398 -0.7148 -0.7148 -0.6389 -0.6389 0.3205 0.3205 0.3318 0.3318 0.3402 0.3402 0.6096 0.6096 0.6617 0.6617 0.6683 0.6683 0.6878 0.6878 0.6889 0.6889 1.1480 1.1480 1.3192 1.3192 2.7601 2.7601 2.7898 2.7898 4.6764 4.6764 4.7087 4.7087 7.1520 7.1520 7.1573 7.1573 8.2932 8.2932 8.2992 8.2992 11.4112 11.4112 11.4132 11.4132 11.7699 11.7703 k = 0.3533 0.5427 0.2622 ( 4656 PWs) bands (ev): -33.2330 -33.2330 -33.2330 -33.2330 -14.5209 -14.5209 -14.5208 -14.5208 -14.1499 -14.1499 -14.1498 -14.1498 -14.1403 -14.1403 -14.1402 -14.1402 -0.7111 -0.7111 -0.6336 -0.6336 0.3204 0.3204 0.3311 0.3311 0.3397 0.3397 0.6124 0.6124 0.6625 0.6625 0.6680 0.6680 0.6863 0.6863 0.6889 0.6889 1.1549 1.1549 1.3281 1.3281 2.7575 2.7575 2.7881 2.7881 4.6422 4.6422 4.6755 4.6755 7.1626 7.1626 7.1679 7.1679 8.2880 8.2880 8.2940 8.2940 11.4202 11.4202 11.4232 11.4232 11.8137 11.8138 k = 0.3467 0.5543 0.2622 ( 4644 PWs) bands (ev): -33.2330 -33.2330 -33.2329 -33.2329 -14.5209 -14.5209 -14.5208 -14.5208 -14.1496 -14.1496 -14.1495 -14.1495 -14.1406 -14.1406 -14.1405 -14.1405 -0.7084 -0.7084 -0.6297 -0.6297 0.3204 0.3204 0.3309 0.3309 0.3393 0.3393 0.6144 0.6144 0.6633 0.6633 0.6678 0.6678 0.6851 0.6851 0.6888 0.6888 1.1603 1.1603 1.3349 1.3349 2.7546 2.7546 2.7859 2.7859 4.6180 4.6180 4.6520 4.6520 7.1708 7.1708 7.1761 7.1761 8.2835 8.2835 8.2896 8.2896 11.4264 11.4264 11.4301 11.4301 11.8409 11.8410 k = 0.3400 0.5658 0.2622 ( 4648 PWs) bands (ev): -33.2330 -33.2330 -33.2329 -33.2329 -14.5209 -14.5209 -14.5209 -14.5209 -14.1495 -14.1495 -14.1494 -14.1494 -14.1408 -14.1408 -14.1407 -14.1407 -0.7066 -0.7066 -0.6273 -0.6273 0.3203 0.3203 0.3309 0.3309 0.3388 0.3388 0.6155 0.6155 0.6640 0.6640 0.6677 0.6677 0.6842 0.6842 0.6888 0.6888 1.1638 1.1638 1.3393 1.3393 2.7522 2.7522 2.7839 2.7839 4.6037 4.6037 4.6382 4.6382 7.1760 7.1760 7.1814 7.1814 8.2804 8.2804 8.2865 8.2865 11.4306 11.4306 11.4348 11.4348 11.8544 11.8544 k = 0.3333 0.5774 0.2622 ( 4662 PWs) bands (ev): -33.2330 -33.2330 -33.2329 -33.2329 -14.5210 -14.5210 -14.5209 -14.5209 -14.1495 -14.1495 -14.1494 -14.1494 -14.1409 -14.1409 -14.1408 -14.1408 -0.7060 -0.7060 -0.6265 -0.6265 0.3203 0.3203 0.3309 0.3309 0.3386 0.3386 0.6158 0.6158 0.6642 0.6642 0.6676 0.6676 0.6839 0.6839 0.6888 0.6888 1.1650 1.1650 1.3408 1.3408 2.7512 2.7512 2.7830 2.7830 4.5990 4.5990 4.6336 4.6336 7.1779 7.1779 7.1833 7.1833 8.2792 8.2792 8.2853 8.2853 11.4322 11.4322 11.4366 11.4366 11.8578 11.8579 k = 0.3333 0.5774 0.2622 ( 4662 PWs) bands (ev): -33.2330 -33.2330 -33.2329 -33.2329 -14.5210 -14.5210 -14.5209 -14.5209 -14.1495 -14.1495 -14.1494 -14.1494 -14.1409 -14.1409 -14.1408 -14.1408 -0.7060 -0.7060 -0.6265 -0.6265 0.3203 0.3203 0.3309 0.3309 0.3386 0.3386 0.6158 0.6158 0.6642 0.6642 0.6676 0.6676 0.6839 0.6839 0.6888 0.6888 1.1650 1.1650 1.3408 1.3408 2.7512 2.7512 2.7830 2.7830 4.5990 4.5990 4.6336 4.6336 7.1779 7.1779 7.1833 7.1833 8.2792 8.2792 8.2853 8.2853 11.4322 11.4322 11.4366 11.4366 11.8578 11.8578 k = 0.3265 0.5656 0.2622 ( 4650 PWs) bands (ev): -33.2330 -33.2330 -33.2329 -33.2329 -14.5209 -14.5209 -14.5209 -14.5209 -14.1495 -14.1495 -14.1494 -14.1494 -14.1408 -14.1408 -14.1407 -14.1407 -0.7067 -0.7067 -0.6274 -0.6274 0.3203 0.3203 0.3308 0.3308 0.3389 0.3389 0.6155 0.6155 0.6639 0.6639 0.6676 0.6676 0.6842 0.6842 0.6888 0.6888 1.1636 1.1636 1.3391 1.3391 2.7526 2.7526 2.7843 2.7843 4.6037 4.6037 4.6382 4.6382 7.1758 7.1758 7.1812 7.1812 8.2807 8.2807 8.2867 8.2867 11.4301 11.4301 11.4342 11.4342 11.8560 11.8561 k = 0.3197 0.5538 0.2622 ( 4658 PWs) bands (ev): -33.2330 -33.2330 -33.2329 -33.2329 -14.5209 -14.5209 -14.5209 -14.5209 -14.1496 -14.1496 -14.1496 -14.1496 -14.1406 -14.1406 -14.1405 -14.1405 -0.7088 -0.7088 -0.6302 -0.6302 0.3203 0.3203 0.3302 0.3302 0.3398 0.3398 0.6144 0.6144 0.6629 0.6629 0.6677 0.6677 0.6852 0.6852 0.6888 0.6888 1.1592 1.1592 1.3338 1.3338 2.7575 2.7575 2.7889 2.7889 4.6174 4.6174 4.6515 4.6515 7.1692 7.1692 7.1745 7.1745 8.2853 8.2853 8.2914 8.2914 11.4226 11.4226 11.4260 11.4260 11.8539 11.8539 k = 0.3129 0.5420 0.2622 ( 4662 PWs) bands (ev): -33.2330 -33.2330 -33.2330 -33.2330 -14.5209 -14.5209 -14.5208 -14.5208 -14.1498 -14.1498 -14.1498 -14.1498 -14.1403 -14.1403 -14.1402 -14.1402 -0.7124 -0.7124 -0.6351 -0.6351 0.3203 0.3203 0.3292 0.3292 0.3412 0.3412 0.6126 0.6126 0.6612 0.6612 0.6679 0.6679 0.6865 0.6865 0.6888 0.6888 1.1517 1.1517 1.3246 1.3246 2.7668 2.7668 2.7979 2.7979 4.6395 4.6395 4.6730 4.6730 7.1577 7.1577 7.1630 7.1630 8.2938 8.2938 8.2998 8.2998 11.4085 11.4085 11.4107 11.4107 11.8551 11.8551 k = 0.3061 0.5302 0.2622 ( 4650 PWs) bands (ev): -33.2330 -33.2330 -33.2330 -33.2330 -14.5208 -14.5208 -14.5207 -14.5207 -14.1500 -14.1500 -14.1500 -14.1500 -14.1398 -14.1398 -14.1398 -14.1398 -0.7177 -0.7177 -0.6421 -0.6421 0.3204 0.3204 0.3279 0.3279 0.3432 0.3432 0.6103 0.6103 0.6592 0.6592 0.6682 0.6682 0.6881 0.6881 0.6887 0.6887 1.1411 1.1411 1.3117 1.3117 2.7815 2.7815 2.8121 2.8121 4.6693 4.6693 4.7020 4.7020 7.1412 7.1412 7.1464 7.1464 8.3063 8.3063 8.3123 8.3123 11.3870 11.3870 11.3877 11.3877 11.8616 11.8616 k = 0.2993 0.5184 0.2622 ( 4646 PWs) bands (ev): -33.2331 -33.2331 -33.2330 -33.2330 -14.5207 -14.5207 -14.5206 -14.5206 -14.1503 -14.1503 -14.1502 -14.1502 -14.1393 -14.1393 -14.1392 -14.1392 -0.7247 -0.7247 -0.6513 -0.6513 0.3204 0.3204 0.3262 0.3262 0.3454 0.3454 0.6072 0.6072 0.6567 0.6567 0.6685 0.6685 0.6887 0.6887 0.6897 0.6897 1.1274 1.1274 1.2951 1.2951 2.8022 2.8022 2.8323 2.8323 4.7062 4.7062 4.7379 4.7379 7.1195 7.1195 7.1247 7.1247 8.3232 8.3232 8.3292 8.3292 11.3572 11.3572 11.3581 11.3581 11.8737 11.8738 k = 0.2925 0.5067 0.2622 ( 4646 PWs) bands (ev): -33.2331 -33.2331 -33.2330 -33.2330 -14.5206 -14.5206 -14.5205 -14.5205 -14.1505 -14.1505 -14.1504 -14.1504 -14.1388 -14.1388 -14.1387 -14.1387 -0.7335 -0.7335 -0.6627 -0.6627 0.3204 0.3204 0.3244 0.3244 0.3478 0.3478 0.6035 0.6035 0.6540 0.6540 0.6689 0.6689 0.6886 0.6886 0.6912 0.6912 1.1111 1.1111 1.2750 1.2750 2.8293 2.8293 2.8589 2.8589 4.7495 4.7495 4.7801 4.7801 7.0929 7.0929 7.0980 7.0980 8.3446 8.3446 8.3505 8.3505 11.3199 11.3199 11.3223 11.3223 11.8903 11.8904 k = 0.2857 0.4949 0.2622 ( 4642 PWs) bands (ev): -33.2331 -33.2331 -33.2330 -33.2330 -14.5204 -14.5204 -14.5203 -14.5203 -14.1507 -14.1507 -14.1507 -14.1507 -14.1381 -14.1381 -14.1381 -14.1381 -0.7444 -0.7444 -0.6765 -0.6765 0.3203 0.3203 0.3223 0.3223 0.3504 0.3504 0.5991 0.5991 0.6511 0.6511 0.6693 0.6693 0.6884 0.6884 0.6924 0.6924 1.0924 1.0924 1.2520 1.2520 2.8632 2.8632 2.8923 2.8923 4.7986 4.7986 4.8281 4.8281 7.0616 7.0616 7.0666 7.0666 8.3704 8.3704 8.3762 8.3762 11.2771 11.2771 11.2807 11.2807 11.9080 11.9081 k = 0.2789 0.4831 0.2622 ( 4654 PWs) bands (ev): -33.2332 -33.2332 -33.2331 -33.2331 -14.5203 -14.5203 -14.5202 -14.5202 -14.1510 -14.1510 -14.1509 -14.1509 -14.1375 -14.1375 -14.1374 -14.1374 -0.7572 -0.7572 -0.6927 -0.6927 0.3200 0.3200 0.3202 0.3202 0.3530 0.3530 0.5938 0.5938 0.6480 0.6480 0.6697 0.6697 0.6880 0.6880 0.6934 0.6934 1.0721 1.0721 1.2265 1.2265 2.9040 2.9040 2.9324 2.9324 4.8530 4.8530 4.8813 4.8813 7.0259 7.0259 7.0308 7.0308 8.4004 8.4004 8.4063 8.4063 11.2297 11.2297 11.2342 11.2342 11.9105 11.9125 k = 0.2721 0.4713 0.2622 ( 4654 PWs) bands (ev): -33.2332 -33.2332 -33.2331 -33.2331 -14.5201 -14.5201 -14.5200 -14.5200 -14.1511 -14.1511 -14.1511 -14.1511 -14.1368 -14.1368 -14.1367 -14.1367 -0.7721 -0.7721 -0.7112 -0.7112 0.3176 0.3176 0.3201 0.3201 0.3557 0.3557 0.5876 0.5876 0.6448 0.6448 0.6701 0.6701 0.6876 0.6876 0.6941 0.6941 1.0506 1.0506 1.1992 1.1992 2.9515 2.9515 2.9792 2.9792 4.9122 4.9122 4.9393 4.9393 6.9863 6.9863 6.9910 6.9910 8.4345 8.4345 8.4404 8.4404 11.1788 11.1788 11.1838 11.1838 11.8715 11.8728 k = 0.2653 0.4595 0.2622 ( 4650 PWs) bands (ev): -33.2332 -33.2332 -33.2332 -33.2332 -14.5198 -14.5198 -14.5198 -14.5198 -14.1513 -14.1513 -14.1512 -14.1512 -14.1361 -14.1361 -14.1360 -14.1360 -0.7892 -0.7892 -0.7321 -0.7321 0.3151 0.3151 0.3198 0.3198 0.3583 0.3583 0.5805 0.5805 0.6416 0.6416 0.6705 0.6705 0.6870 0.6870 0.6945 0.6945 1.0287 1.0287 1.1706 1.1706 3.0057 3.0057 3.0326 3.0326 4.9758 4.9758 5.0015 5.0015 6.9432 6.9432 6.9477 6.9477 8.4725 8.4725 8.4783 8.4783 11.1251 11.1251 11.1304 11.1304 11.8165 11.8166 k = 0.2585 0.4477 0.2622 ( 4654 PWs) bands (ev): -33.2333 -33.2333 -33.2332 -33.2332 -14.5196 -14.5196 -14.5195 -14.5195 -14.1514 -14.1514 -14.1513 -14.1513 -14.1354 -14.1354 -14.1353 -14.1353 -0.8084 -0.8084 -0.7552 -0.7552 0.3124 0.3124 0.3195 0.3195 0.3609 0.3609 0.5724 0.5724 0.6382 0.6382 0.6709 0.6709 0.6862 0.6862 0.6946 0.6946 1.0070 1.0070 1.1415 1.1415 3.0663 3.0663 3.0924 3.0924 5.0432 5.0432 5.0677 5.0677 6.8971 6.8971 6.9014 6.9014 8.5140 8.5140 8.5198 8.5198 11.0695 11.0695 11.0748 11.0748 11.7562 11.7566 k = 0.2517 0.4360 0.2622 ( 4642 PWs) bands (ev): -33.2333 -33.2333 -33.2333 -33.2333 -14.5193 -14.5193 -14.5192 -14.5192 -14.1514 -14.1514 -14.1513 -14.1513 -14.1346 -14.1346 -14.1345 -14.1345 -0.8298 -0.8298 -0.7807 -0.7807 0.3096 0.3096 0.3191 0.3191 0.3634 0.3634 0.5633 0.5633 0.6349 0.6349 0.6712 0.6712 0.6853 0.6853 0.6945 0.6945 0.9860 0.9860 1.1122 1.1122 3.1330 3.1330 3.1582 3.1582 5.1141 5.1141 5.1374 5.1374 6.8486 6.8486 6.8526 6.8526 8.5587 8.5587 8.5646 8.5646 11.0123 11.0123 11.0174 11.0174 11.6938 11.6940 k = 0.2449 0.4242 0.2622 ( 4654 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5190 -14.5190 -14.5189 -14.5189 -14.1514 -14.1514 -14.1513 -14.1513 -14.1338 -14.1338 -14.1337 -14.1337 -0.8533 -0.8533 -0.8082 -0.8082 0.3067 0.3067 0.3184 0.3184 0.3658 0.3658 0.5532 0.5532 0.6315 0.6315 0.6714 0.6714 0.6841 0.6841 0.6942 0.6942 0.9660 0.9660 1.0833 1.0833 3.2057 3.2057 3.2298 3.2298 5.1883 5.1883 5.2102 5.2102 6.7981 6.7981 6.8018 6.8018 8.6064 8.6064 8.6124 8.6124 10.9543 10.9543 10.9589 10.9589 11.6310 11.6311 k = 0.2381 0.4124 0.2622 ( 4650 PWs) bands (ev): -33.2335 -33.2335 -33.2334 -33.2334 -14.5186 -14.5186 -14.5186 -14.5186 -14.1514 -14.1514 -14.1513 -14.1513 -14.1330 -14.1330 -14.1329 -14.1329 -0.8789 -0.8789 -0.8379 -0.8379 0.3037 0.3037 0.3177 0.3177 0.3682 0.3682 0.5423 0.5423 0.6282 0.6282 0.6715 0.6715 0.6827 0.6827 0.6937 0.6937 0.9475 0.9475 1.0553 1.0553 3.2839 3.2839 3.3070 3.3070 5.2652 5.2652 5.2858 5.2858 6.7461 6.7461 6.7495 6.7495 8.6569 8.6569 8.6629 8.6629 10.8957 10.8957 10.8998 10.8998 11.5680 11.5681 k = 0.2313 0.4006 0.2622 ( 4654 PWs) bands (ev): -33.2335 -33.2335 -33.2335 -33.2335 -14.5183 -14.5183 -14.5182 -14.5182 -14.1513 -14.1513 -14.1512 -14.1512 -14.1322 -14.1322 -14.1321 -14.1321 -0.9065 -0.9065 -0.8694 -0.8694 0.3007 0.3007 0.3167 0.3167 0.3705 0.3705 0.5308 0.5308 0.6249 0.6249 0.6711 0.6711 0.6813 0.6813 0.6930 0.6930 0.9306 0.9306 1.0285 1.0285 3.3674 3.3674 3.3893 3.3893 5.3446 5.3446 5.3639 5.3639 6.6931 6.6931 6.6961 6.6961 8.7098 8.7098 8.7159 8.7159 10.8370 10.8370 10.8405 10.8405 11.5055 11.5055 k = 0.2245 0.3888 0.2622 ( 4648 PWs) bands (ev): -33.2336 -33.2336 -33.2335 -33.2335 -14.5178 -14.5178 -14.5178 -14.5178 -14.1512 -14.1512 -14.1511 -14.1511 -14.1313 -14.1313 -14.1312 -14.1312 -0.9361 -0.9361 -0.9027 -0.9027 0.2976 0.2976 0.3155 0.3155 0.3726 0.3726 0.5188 0.5188 0.6216 0.6216 0.6701 0.6701 0.6802 0.6802 0.6923 0.6923 0.9155 0.9155 1.0032 1.0032 3.4559 3.4559 3.4766 3.4766 5.4261 5.4261 5.4440 5.4440 6.6397 6.6397 6.6422 6.6422 8.7650 8.7650 8.7712 8.7712 10.7786 10.7786 10.7813 10.7813 11.4436 11.4437 k = 0.2177 0.3770 0.2622 ( 4646 PWs) bands (ev): -33.2337 -33.2337 -33.2336 -33.2336 -14.5174 -14.5174 -14.5174 -14.5174 -14.1510 -14.1510 -14.1509 -14.1509 -14.1305 -14.1305 -14.1304 -14.1304 -0.9674 -0.9674 -0.9376 -0.9376 0.2945 0.2945 0.3140 0.3140 0.3747 0.3747 0.5067 0.5067 0.6182 0.6182 0.6682 0.6682 0.6795 0.6795 0.6916 0.6916 0.9019 0.9019 0.9796 0.9796 3.5491 3.5491 3.5687 3.5687 5.5093 5.5093 5.5258 5.5258 6.5863 6.5863 6.5883 6.5883 8.8222 8.8222 8.8284 8.8284 10.7206 10.7206 10.7225 10.7225 11.3822 11.3826 k = 0.2109 0.3653 0.2622 ( 4650 PWs) bands (ev): -33.2338 -33.2338 -33.2337 -33.2337 -14.5170 -14.5170 -14.5169 -14.5169 -14.1508 -14.1508 -14.1507 -14.1507 -14.1296 -14.1296 -14.1295 -14.1295 -1.0003 -1.0003 -0.9739 -0.9739 0.2913 0.2913 0.3123 0.3123 0.3767 0.3767 0.4947 0.4947 0.6149 0.6149 0.6653 0.6653 0.6792 0.6792 0.6909 0.6909 0.8900 0.8900 0.9578 0.9578 3.6468 3.6468 3.6652 3.6652 5.5936 5.5936 5.6086 5.6086 6.5337 6.5337 6.5350 6.5350 8.8811 8.8811 8.8875 8.8875 10.6635 10.6635 10.6646 10.6646 11.3221 11.3230 k = 0.2041 0.3535 0.2622 ( 4654 PWs) bands (ev): -33.2339 -33.2339 -33.2338 -33.2338 -14.5165 -14.5165 -14.5165 -14.5165 -14.1506 -14.1506 -14.1505 -14.1505 -14.1287 -14.1287 -14.1286 -14.1286 -1.0346 -1.0346 -1.0113 -1.0113 0.2882 0.2882 0.3101 0.3101 0.3786 0.3786 0.4831 0.4831 0.6116 0.6116 0.6616 0.6616 0.6793 0.6793 0.6901 0.6901 0.8794 0.8794 0.9378 0.9378 3.7488 3.7488 3.7659 3.7659 5.6784 5.6784 5.6917 5.6917 6.4827 6.4827 6.4831 6.4831 8.9416 8.9416 8.9482 8.9482 10.6075 10.6075 10.6077 10.6077 11.2646 11.2651 k = 0.1973 0.3417 0.2622 ( 4650 PWs) bands (ev): -33.2340 -33.2340 -33.2339 -33.2339 -14.5160 -14.5160 -14.5160 -14.5160 -14.1503 -14.1503 -14.1503 -14.1503 -14.1278 -14.1278 -14.1277 -14.1277 -1.0701 -1.0701 -1.0497 -1.0497 0.2851 0.2851 0.3077 0.3077 0.3804 0.3804 0.4722 0.4722 0.6084 0.6084 0.6571 0.6571 0.6797 0.6797 0.6895 0.6895 0.8702 0.8702 0.9199 0.9199 3.8547 3.8547 3.8706 3.8706 5.7626 5.7626 5.7738 5.7738 6.4337 6.4337 6.4346 6.4346 9.0034 9.0034 9.0102 9.0102 10.5520 10.5520 10.5528 10.5528 11.2067 11.2072 k = 0.1905 0.3299 0.2622 ( 4646 PWs) bands (ev): -33.2340 -33.2340 -33.2340 -33.2340 -14.5155 -14.5155 -14.5155 -14.5155 -14.1501 -14.1501 -14.1500 -14.1500 -14.1268 -14.1268 -14.1267 -14.1267 -1.1066 -1.1066 -1.0889 -1.0889 0.2820 0.2820 0.3049 0.3049 0.3822 0.3822 0.4620 0.4620 0.6051 0.6051 0.6521 0.6521 0.6802 0.6802 0.6890 0.6890 0.8620 0.8620 0.9038 0.9038 3.9644 3.9644 3.9790 3.9790 5.8444 5.8444 5.8529 5.8529 6.3889 6.3889 6.3916 6.3916 9.0663 9.0663 9.0734 9.0734 10.4979 10.4979 10.4997 10.4997 11.1518 11.1519 k = 0.1837 0.3181 0.2622 ( 4646 PWs) bands (ev): -33.2341 -33.2341 -33.2341 -33.2341 -14.5150 -14.5150 -14.5149 -14.5149 -14.1498 -14.1498 -14.1497 -14.1497 -14.1259 -14.1259 -14.1258 -14.1258 -1.1440 -1.1440 -1.1286 -1.1286 0.2790 0.2790 0.3018 0.3018 0.3839 0.3839 0.4528 0.4528 0.6018 0.6018 0.6465 0.6465 0.6808 0.6808 0.6885 0.6885 0.8548 0.8548 0.8895 0.8895 4.0775 4.0775 4.0909 4.0909 5.9201 5.9201 5.9250 5.9250 6.3522 6.3522 6.3578 6.3578 9.1299 9.1299 9.1373 9.1373 10.4455 10.4455 10.4483 10.4483 11.0989 11.1015 k = 0.1769 0.3063 0.2622 ( 4654 PWs) bands (ev): -33.2342 -33.2342 -33.2342 -33.2342 -14.5145 -14.5145 -14.5144 -14.5144 -14.1495 -14.1495 -14.1494 -14.1494 -14.1249 -14.1249 -14.1248 -14.1248 -1.1818 -1.1818 -1.1686 -1.1686 0.2760 0.2760 0.2982 0.2982 0.3855 0.3855 0.4446 0.4446 0.5985 0.5985 0.6405 0.6405 0.6815 0.6815 0.6881 0.6881 0.8484 0.8484 0.8769 0.8769 4.1939 4.1939 4.2061 4.2061 5.9825 5.9825 5.9825 5.9825 6.3312 6.3312 6.3408 6.3408 9.1941 9.1941 9.2018 9.2018 10.3951 10.3951 10.3988 10.3988 11.0483 11.0486 k = 0.1701 0.2946 0.2622 ( 4654 PWs) bands (ev): -33.2343 -33.2343 -33.2343 -33.2343 -14.5140 -14.5140 -14.5139 -14.5139 -14.1492 -14.1492 -14.1491 -14.1491 -14.1239 -14.1239 -14.1238 -14.1238 -1.2200 -1.2200 -1.2087 -1.2087 0.2731 0.2731 0.2945 0.2945 0.3871 0.3871 0.4374 0.4374 0.5953 0.5953 0.6343 0.6343 0.6823 0.6823 0.6879 0.6879 0.8426 0.8426 0.8658 0.8658 4.3131 4.3131 4.3241 4.3241 6.0149 6.0149 6.0200 6.0200 6.3374 6.3374 6.3513 6.3513 9.2584 9.2584 9.2666 9.2666 10.3468 10.3468 10.3516 10.3516 11.0002 11.0005 k = 0.1633 0.2828 0.2622 ( 4670 PWs) bands (ev): -33.2345 -33.2345 -33.2344 -33.2344 -14.5135 -14.5135 -14.5134 -14.5134 -14.1489 -14.1489 -14.1488 -14.1488 -14.1230 -14.1230 -14.1229 -14.1229 -1.2583 -1.2583 -1.2486 -1.2486 0.2702 0.2702 0.2904 0.2904 0.3887 0.3887 0.4312 0.4312 0.5920 0.5920 0.6278 0.6278 0.6830 0.6830 0.6878 0.6878 0.8375 0.8375 0.8560 0.8560 4.4349 4.4349 4.4447 4.4447 6.0183 6.0183 6.0264 6.0264 6.3772 6.3772 6.3934 6.3934 9.3224 9.3224 9.3311 9.3311 10.3008 10.3008 10.3067 10.3067 10.9549 10.9549 k = 0.1565 0.2710 0.2622 ( 4670 PWs) bands (ev): -33.2346 -33.2346 -33.2345 -33.2345 -14.5129 -14.5129 -14.5128 -14.5128 -14.1485 -14.1485 -14.1485 -14.1485 -14.1220 -14.1220 -14.1219 -14.1219 -1.2965 -1.2965 -1.2883 -1.2883 0.2674 0.2674 0.2863 0.2863 0.3902 0.3902 0.4261 0.4261 0.5888 0.5888 0.6213 0.6213 0.6839 0.6839 0.6878 0.6878 0.8328 0.8328 0.8476 0.8476 4.5587 4.5587 4.5672 4.5672 6.0013 6.0013 6.0103 6.0103 6.4424 6.4424 6.4586 6.4586 9.3857 9.3857 9.3950 9.3950 10.2574 10.2574 10.2644 10.2644 10.9125 10.9125 k = 0.1497 0.2592 0.2622 ( 4670 PWs) bands (ev): -33.2347 -33.2347 -33.2346 -33.2346 -14.5124 -14.5124 -14.5123 -14.5123 -14.1482 -14.1482 -14.1481 -14.1481 -14.1209 -14.1209 -14.1209 -14.1209 -1.3344 -1.3344 -1.3274 -1.3274 0.2648 0.2648 0.2820 0.2820 0.3917 0.3917 0.4218 0.4218 0.5856 0.5856 0.6148 0.6148 0.6847 0.6847 0.6879 0.6879 0.8286 0.8286 0.8402 0.8402 4.6838 4.6838 4.6911 4.6911 5.9749 5.9749 5.9838 5.9838 6.5212 6.5212 6.5365 6.5365 9.4477 9.4477 9.4578 9.4578 10.2166 10.2166 10.2248 10.2248 10.8734 10.8734 k = 0.1429 0.2474 0.2622 ( 4658 PWs) bands (ev): -33.2348 -33.2348 -33.2347 -33.2347 -14.5118 -14.5118 -14.5117 -14.5117 -14.1479 -14.1479 -14.1478 -14.1478 -14.1199 -14.1199 -14.1198 -14.1198 -1.3717 -1.3717 -1.3659 -1.3659 0.2622 0.2622 0.2778 0.2778 0.3932 0.3932 0.4183 0.4183 0.5824 0.5824 0.6085 0.6085 0.6857 0.6857 0.6882 0.6882 0.8247 0.8247 0.8337 0.8337 4.8092 4.8092 4.8152 4.8152 5.9460 5.9460 5.9548 5.9548 6.6066 6.6066 6.6207 6.6207 9.5078 9.5078 9.5187 9.5187 10.1788 10.1788 10.1882 10.1882 10.8378 10.8378 k = 0.1361 0.2357 0.2622 ( 4668 PWs) bands (ev): -33.2349 -33.2349 -33.2348 -33.2348 -14.5113 -14.5113 -14.5112 -14.5112 -14.1476 -14.1476 -14.1475 -14.1475 -14.1189 -14.1189 -14.1188 -14.1188 -1.4084 -1.4084 -1.4036 -1.4036 0.2597 0.2597 0.2736 0.2736 0.3945 0.3945 0.4154 0.4154 0.5793 0.5793 0.6022 0.6022 0.6866 0.6866 0.6886 0.6886 0.8211 0.8211 0.8280 0.8280 4.9334 4.9334 4.9381 4.9381 5.9192 5.9192 5.9280 5.9280 6.6950 6.6950 6.7081 6.7081 9.5652 9.5652 9.5771 9.5771 10.1440 10.1440 10.1547 10.1547 10.8059 10.8060 k = 0.1293 0.2239 0.2622 ( 4668 PWs) bands (ev): -33.2350 -33.2350 -33.2349 -33.2349 -14.5108 -14.5108 -14.5107 -14.5107 -14.1472 -14.1472 -14.1472 -14.1472 -14.1178 -14.1178 -14.1178 -14.1178 -1.4442 -1.4442 -1.4402 -1.4402 0.2573 0.2573 0.2695 0.2695 0.3959 0.3959 0.4132 0.4132 0.5762 0.5762 0.5961 0.5961 0.6875 0.6875 0.6890 0.6890 0.8177 0.8177 0.8230 0.8230 5.0539 5.0539 5.0572 5.0572 5.8985 5.8985 5.9075 5.9075 6.7846 6.7846 6.7966 6.7966 9.6192 9.6192 9.6322 9.6322 10.1124 10.1124 10.1244 10.1244 10.7779 10.7784 k = 0.1224 0.2121 0.2622 ( 4664 PWs) bands (ev): -33.2351 -33.2351 -33.2350 -33.2350 -14.5102 -14.5102 -14.5102 -14.5102 -14.1469 -14.1469 -14.1468 -14.1468 -14.1168 -14.1168 -14.1167 -14.1167 -1.4790 -1.4790 -1.4757 -1.4757 0.2550 0.2550 0.2655 0.2655 0.3973 0.3973 0.4115 0.4115 0.5732 0.5732 0.5903 0.5903 0.6885 0.6885 0.6896 0.6896 0.8146 0.8146 0.8185 0.8185 5.1666 5.1666 5.1683 5.1683 5.8889 5.8889 5.8983 5.8983 6.8742 6.8742 6.8853 6.8853 9.6687 9.6687 9.6830 9.6830 10.0842 10.0842 10.0975 10.0975 10.7539 10.7562 k = 0.1156 0.2003 0.2622 ( 4668 PWs) bands (ev): -33.2352 -33.2352 -33.2351 -33.2351 -14.5097 -14.5097 -14.5097 -14.5097 -14.1466 -14.1466 -14.1466 -14.1466 -14.1158 -14.1158 -14.1157 -14.1157 -1.5126 -1.5126 -1.5099 -1.5099 0.2527 0.2527 0.2618 0.2618 0.3986 0.3986 0.4102 0.4102 0.5703 0.5703 0.5848 0.5848 0.6895 0.6895 0.6903 0.6903 0.8117 0.8117 0.8146 0.8146 5.2648 5.2648 5.2650 5.2650 5.8972 5.8972 5.9070 5.9070 6.9629 6.9629 6.9731 6.9731 9.7128 9.7128 9.7285 9.7285 10.0594 10.0594 10.0741 10.0741 10.7337 10.7344 k = 0.1088 0.1885 0.2622 ( 4676 PWs) bands (ev): -33.2353 -33.2353 -33.2352 -33.2352 -14.5093 -14.5093 -14.5092 -14.5092 -14.1464 -14.1464 -14.1463 -14.1463 -14.1148 -14.1148 -14.1147 -14.1147 -1.5449 -1.5449 -1.5428 -1.5428 0.2506 0.2506 0.2582 0.2582 0.3998 0.3998 0.4093 0.4093 0.5674 0.5674 0.5796 0.5796 0.6904 0.6904 0.6910 0.6910 0.8090 0.8090 0.8110 0.8110 5.3395 5.3395 5.3405 5.3405 5.9319 5.9319 5.9419 5.9419 7.0502 7.0502 7.0595 7.0595 9.7507 9.7507 9.7677 9.7677 10.0381 10.0381 10.0539 10.0539 10.7157 10.7167 k = 0.1020 0.1767 0.2622 ( 4672 PWs) bands (ev): -33.2354 -33.2354 -33.2353 -33.2353 -14.5088 -14.5088 -14.5087 -14.5087 -14.1461 -14.1461 -14.1460 -14.1460 -14.1138 -14.1138 -14.1137 -14.1137 -1.5758 -1.5758 -1.5741 -1.5741 0.2485 0.2485 0.2549 0.2549 0.4011 0.4011 0.4086 0.4086 0.5646 0.5646 0.5748 0.5748 0.6914 0.6914 0.6917 0.6917 0.8065 0.8065 0.8079 0.8079 5.3867 5.3867 5.3882 5.3882 5.9984 5.9984 6.0080 6.0080 7.1353 7.1353 7.1439 7.1439 9.7817 9.7817 9.7996 9.7996 10.0204 10.0204 10.0370 10.0370 10.6995 10.7001 k = 0.0952 0.1650 0.2622 ( 4676 PWs) bands (ev): -33.2355 -33.2355 -33.2354 -33.2354 -14.5083 -14.5083 -14.5083 -14.5083 -14.1458 -14.1458 -14.1458 -14.1458 -14.1129 -14.1129 -14.1128 -14.1128 -1.6052 -1.6052 -1.6038 -1.6038 0.2466 0.2466 0.2518 0.2518 0.4022 0.4022 0.4083 0.4083 0.5619 0.5619 0.5702 0.5702 0.6924 0.6924 0.6926 0.6926 0.8041 0.8041 0.8051 0.8051 5.4088 5.4088 5.4103 5.4103 6.0944 6.0944 6.1031 6.1031 7.2178 7.2178 7.2256 7.2256 9.8051 9.8051 9.8233 9.8233 10.0064 10.0064 10.0232 10.0232 10.6816 10.6816 k = 0.0884 0.1532 0.2622 ( 4666 PWs) bands (ev): -33.2355 -33.2355 -33.2355 -33.2355 -14.5079 -14.5079 -14.5078 -14.5078 -14.1456 -14.1456 -14.1455 -14.1455 -14.1119 -14.1119 -14.1119 -14.1119 -1.6329 -1.6329 -1.6318 -1.6318 0.2448 0.2448 0.2489 0.2489 0.4034 0.4034 0.4081 0.4081 0.5594 0.5594 0.5660 0.5660 0.6934 0.6934 0.6934 0.6934 0.8019 0.8019 0.8025 0.8025 5.4131 5.4131 5.4143 5.4143 6.2122 6.2122 6.2199 6.2199 7.2972 7.2972 7.3042 7.3042 9.8200 9.8200 9.8374 9.8374 9.9966 9.9966 10.0125 10.0125 10.6580 10.6586 k = 0.0816 0.1414 0.2622 ( 4664 PWs) bands (ev): -33.2356 -33.2356 -33.2356 -33.2356 -14.5075 -14.5075 -14.5074 -14.5074 -14.1454 -14.1454 -14.1453 -14.1453 -14.1111 -14.1111 -14.1110 -14.1110 -1.6589 -1.6589 -1.6581 -1.6581 0.2431 0.2431 0.2463 0.2463 0.4044 0.4044 0.4081 0.4081 0.5570 0.5570 0.5622 0.5622 0.6943 0.6943 0.6943 0.6943 0.7998 0.7998 0.8002 0.8002 5.4067 5.4067 5.4076 5.4076 6.3443 6.3443 6.3509 6.3509 7.3728 7.3728 7.3791 7.3791 9.8251 9.8251 9.8402 9.8402 9.9920 9.9920 10.0054 10.0054 10.6252 10.6263 k = 0.0748 0.1296 0.2622 ( 4664 PWs) bands (ev): -33.2357 -33.2357 -33.2356 -33.2356 -14.5071 -14.5071 -14.5070 -14.5070 -14.1452 -14.1452 -14.1451 -14.1451 -14.1102 -14.1102 -14.1102 -14.1102 -1.6831 -1.6831 -1.6825 -1.6825 0.2414 0.2414 0.2439 0.2439 0.4055 0.4055 0.4082 0.4082 0.5546 0.5546 0.5587 0.5587 0.6952 0.6952 0.6953 0.6953 0.7979 0.7979 0.7981 0.7981 5.3946 5.3946 5.3952 5.3952 6.4854 6.4854 6.4912 6.4912 7.4442 7.4442 7.4499 7.4499 9.8179 9.8179 9.8295 9.8295 9.9936 9.9936 10.0034 10.0034 10.5808 10.5821 k = 0.0680 0.1178 0.2622 ( 4668 PWs) bands (ev): -33.2358 -33.2358 -33.2357 -33.2357 -14.5068 -14.5068 -14.5067 -14.5067 -14.1450 -14.1450 -14.1449 -14.1449 -14.1094 -14.1094 -14.1094 -14.1094 -1.7054 -1.7054 -1.7050 -1.7050 0.2399 0.2399 0.2418 0.2418 0.4064 0.4064 0.4084 0.4084 0.5525 0.5525 0.5555 0.5555 0.6961 0.6961 0.6961 0.6961 0.7961 0.7961 0.7962 0.7962 5.3797 5.3797 5.3801 5.3801 6.6323 6.6323 6.6372 6.6372 7.5110 7.5110 7.5160 7.5160 9.7958 9.7958 9.8036 9.8036 10.0015 10.0015 10.0075 10.0075 10.5260 10.5275 k = 0.0612 0.1060 0.2622 ( 4664 PWs) bands (ev): -33.2358 -33.2358 -33.2358 -33.2358 -14.5064 -14.5064 -14.5063 -14.5063 -14.1448 -14.1448 -14.1447 -14.1447 -14.1087 -14.1087 -14.1086 -14.1086 -1.7258 -1.7258 -1.7255 -1.7255 0.2385 0.2385 0.2399 0.2399 0.4073 0.4073 0.4087 0.4087 0.5504 0.5504 0.5527 0.5527 0.6969 0.6969 0.6970 0.6970 0.7945 0.7945 0.7945 0.7945 5.3638 5.3638 5.3641 5.3641 6.7825 6.7825 6.7867 6.7867 7.5727 7.5727 7.5771 7.5771 9.7564 9.7564 9.7612 9.7612 10.0151 10.0151 10.0182 10.0182 10.4653 10.4667 k = 0.0544 0.0943 0.2622 ( 4668 PWs) bands (ev): -33.2359 -33.2359 -33.2358 -33.2358 -14.5061 -14.5061 -14.5061 -14.5061 -14.1447 -14.1447 -14.1446 -14.1446 -14.1081 -14.1081 -14.1080 -14.1080 -1.7442 -1.7442 -1.7440 -1.7440 0.2372 0.2372 0.2382 0.2382 0.4080 0.4080 0.4091 0.4091 0.5486 0.5486 0.5501 0.5501 0.6977 0.6977 0.6978 0.6978 0.7930 0.7930 0.7930 0.7930 5.3481 5.3481 5.3483 5.3483 6.9342 6.9342 6.9378 6.9378 7.6290 7.6290 7.6328 7.6328 9.6986 9.6986 9.7014 9.7014 10.0333 10.0333 10.0345 10.0345 10.4047 10.4054 k = 0.0476 0.0825 0.2622 ( 4668 PWs) bands (ev): -33.2360 -33.2360 -33.2359 -33.2359 -14.5059 -14.5059 -14.5058 -14.5058 -14.1445 -14.1445 -14.1445 -14.1445 -14.1074 -14.1074 -14.1074 -14.1074 -1.7606 -1.7606 -1.7604 -1.7604 0.2361 0.2361 0.2367 0.2367 0.4087 0.4087 0.4094 0.4094 0.5469 0.5469 0.5479 0.5479 0.6985 0.6985 0.6985 0.6985 0.7917 0.7917 0.7917 0.7917 5.3333 5.3333 5.3334 5.3334 7.0857 7.0857 7.0887 7.0887 7.6796 7.6796 7.6828 7.6828 9.6228 9.6228 9.6244 9.6244 10.0553 10.0553 10.0555 10.0555 10.3501 10.3508 k = 0.0408 0.0707 0.2622 ( 4664 PWs) bands (ev): -33.2360 -33.2360 -33.2359 -33.2359 -14.5056 -14.5056 -14.5056 -14.5056 -14.1444 -14.1444 -14.1443 -14.1443 -14.1069 -14.1069 -14.1068 -14.1068 -1.7748 -1.7748 -1.7747 -1.7747 0.2351 0.2351 0.2355 0.2355 0.4094 0.4094 0.4098 0.4098 0.5454 0.5454 0.5461 0.5461 0.6991 0.6991 0.6992 0.6992 0.7906 0.7906 0.7906 0.7906 5.3198 5.3198 5.3199 5.3199 7.2349 7.2349 7.2374 7.2374 7.7243 7.7243 7.7270 7.7270 9.5312 9.5312 9.5321 9.5321 10.0798 10.0798 10.0801 10.0801 10.3049 10.3058 k = 0.0340 0.0589 0.2622 ( 4662 PWs) bands (ev): -33.2360 -33.2360 -33.2360 -33.2360 -14.5054 -14.5054 -14.5054 -14.5054 -14.1443 -14.1443 -14.1442 -14.1442 -14.1064 -14.1064 -14.1064 -14.1064 -1.7869 -1.7869 -1.7869 -1.7869 0.2342 0.2342 0.2344 0.2344 0.4099 0.4099 0.4101 0.4101 0.5441 0.5441 0.5445 0.5445 0.6997 0.6997 0.6998 0.6998 0.7896 0.7896 0.7896 0.7896 5.3080 5.3080 5.3081 5.3081 7.3791 7.3791 7.3810 7.3810 7.7633 7.7633 7.7654 7.7654 9.4286 9.4286 9.4291 9.4291 10.1060 10.1060 10.1065 10.1065 10.2696 10.2700 k = 0.0272 0.0471 0.2622 ( 4662 PWs) bands (ev): -33.2361 -33.2361 -33.2360 -33.2360 -14.5053 -14.5053 -14.5052 -14.5052 -14.1442 -14.1442 -14.1442 -14.1442 -14.1061 -14.1061 -14.1060 -14.1060 -1.7969 -1.7969 -1.7968 -1.7968 0.2335 0.2335 0.2336 0.2336 0.4103 0.4103 0.4104 0.4104 0.5430 0.5430 0.5432 0.5432 0.7002 0.7002 0.7003 0.7003 0.7888 0.7888 0.7888 0.7888 5.2981 5.2981 5.2982 5.2982 7.5139 7.5139 7.5154 7.5154 7.7969 7.7969 7.7985 7.7985 9.3214 9.3214 9.3217 9.3217 10.1323 10.1323 10.1328 10.1328 10.2426 10.2431 k = 0.0204 0.0353 0.2622 ( 4658 PWs) bands (ev): -33.2361 -33.2361 -33.2360 -33.2360 -14.5051 -14.5051 -14.5051 -14.5051 -14.1442 -14.1442 -14.1441 -14.1441 -14.1058 -14.1058 -14.1057 -14.1057 -1.8046 -1.8046 -1.8046 -1.8046 0.2329 0.2329 0.2329 0.2329 0.4106 0.4106 0.4107 0.4107 0.5422 0.5422 0.5423 0.5423 0.7006 0.7006 0.7007 0.7007 0.7882 0.7882 0.7882 0.7882 5.2903 5.2903 5.2903 5.2903 7.6326 7.6326 7.6337 7.6337 7.8267 7.8267 7.8278 7.8278 9.2179 9.2179 9.2180 9.2180 10.1563 10.1563 10.1567 10.1567 10.2244 10.2248 k = 0.0136 0.0236 0.2622 ( 4654 PWs) bands (ev): -33.2361 -33.2361 -33.2360 -33.2360 -14.5050 -14.5050 -14.5050 -14.5050 -14.1441 -14.1441 -14.1440 -14.1440 -14.1055 -14.1055 -14.1055 -14.1055 -1.8102 -1.8102 -1.8102 -1.8102 0.2325 0.2325 0.2325 0.2325 0.4109 0.4109 0.4109 0.4109 0.5416 0.5416 0.5416 0.5416 0.7009 0.7009 0.7009 0.7009 0.7877 0.7877 0.7877 0.7877 5.2846 5.2846 5.2847 5.2847 7.7236 7.7236 7.7241 7.7241 7.8559 7.8559 7.8564 7.8564 9.1285 9.1285 9.1286 9.1286 10.1744 10.1744 10.1747 10.1747 10.2142 10.2143 k = 0.0068 0.0118 0.2622 ( 4654 PWs) bands (ev): -33.2361 -33.2361 -33.2361 -33.2361 -14.5050 -14.5050 -14.5049 -14.5049 -14.1441 -14.1441 -14.1440 -14.1440 -14.1054 -14.1054 -14.1053 -14.1053 -1.8135 -1.8135 -1.8135 -1.8135 0.2322 0.2322 0.2322 0.2322 0.4110 0.4110 0.4110 0.4110 0.5412 0.5412 0.5412 0.5412 0.7011 0.7011 0.7011 0.7011 0.7874 0.7874 0.7874 0.7874 5.2812 5.2812 5.2812 5.2812 7.7747 7.7747 7.7748 7.7748 7.8851 7.8851 7.8852 7.8852 9.0661 9.0661 9.0662 9.0662 10.1832 10.1832 10.1832 10.1833 10.2120 10.2120 k = 0.0000 0.0000 0.2622 ( 4654 PWs) bands (ev): -33.2361 -33.2361 -33.2361 -33.2361 -14.5050 -14.5050 -14.5049 -14.5049 -14.1441 -14.1441 -14.1440 -14.1440 -14.1053 -14.1053 -14.1053 -14.1053 -1.8146 -1.8146 -1.8146 -1.8146 0.2321 0.2321 0.2321 0.2321 0.4111 0.4111 0.4111 0.4111 0.5411 0.5411 0.5411 0.5411 0.7012 0.7012 0.7012 0.7012 0.7874 0.7874 0.7874 0.7874 5.2801 5.2801 5.2801 5.2801 7.7894 7.7894 7.7894 7.7894 7.8990 7.8990 7.8990 7.8990 9.0434 9.0434 9.0434 9.0434 10.1848 10.1848 10.1848 10.1849 10.2129 10.2129 k = 0.5000 0.2887 0.2622 ( 4688 PWs) bands (ev): -33.2334 -33.2334 -33.2333 -33.2333 -14.5197 -14.5197 -14.5196 -14.5196 -14.1560 -14.1560 -14.1559 -14.1559 -14.1295 -14.1295 -14.1294 -14.1294 -0.8009 -0.8009 -0.8009 -0.8009 0.3329 0.3329 0.3329 0.3329 0.4548 0.4548 0.4548 0.4548 0.6706 0.6706 0.6706 0.6706 0.7044 0.7044 0.7044 0.7044 1.0663 1.0663 1.0663 1.0663 2.6644 2.6644 2.6644 2.6644 6.3323 6.3323 6.3323 6.3323 6.9171 6.9171 6.9171 6.9171 8.1776 8.1776 8.1776 8.1776 9.2878 9.2878 9.2878 9.2878 11.9618 11.9619 k = 0.5000 0.2887 0.2491 ( 4680 PWs) bands (ev): -33.2335 -33.2335 -33.2332 -33.2332 -14.5202 -14.5202 -14.5192 -14.5192 -14.1568 -14.1568 -14.1551 -14.1551 -14.1295 -14.1295 -14.1293 -14.1293 -0.8010 -0.8010 -0.8009 -0.8009 0.3325 0.3325 0.3333 0.3333 0.4546 0.4546 0.4551 0.4551 0.6702 0.6702 0.6712 0.6712 0.7043 0.7043 0.7046 0.7046 1.0661 1.0661 1.0663 1.0663 2.6401 2.6401 2.6898 2.6898 6.3223 6.3223 6.3423 6.3423 6.8680 6.8680 6.9623 6.9623 8.1557 8.1557 8.1940 8.1940 9.2704 9.2704 9.3218 9.3218 11.9112 11.9112 k = 0.5000 0.2887 0.2360 ( 4680 PWs) bands (ev): -33.2336 -33.2336 -33.2331 -33.2331 -14.5207 -14.5207 -14.5186 -14.5186 -14.1578 -14.1578 -14.1543 -14.1543 -14.1295 -14.1295 -14.1291 -14.1291 -0.8012 -0.8012 -0.8009 -0.8009 0.3322 0.3322 0.3336 0.3336 0.4544 0.4544 0.4553 0.4553 0.6698 0.6698 0.6717 0.6717 0.7042 0.7042 0.7047 0.7047 1.0659 1.0659 1.0663 1.0663 2.6169 2.6169 2.7160 2.7160 6.3124 6.3124 6.3522 6.3522 6.8164 6.8164 7.0018 7.0018 8.1311 8.1311 8.2033 8.2033 9.2681 9.2681 9.3726 9.3726 11.8620 11.8620 k = 0.5000 0.2887 0.2228 ( 4680 PWs) bands (ev): -33.2337 -33.2337 -33.2330 -33.2330 -14.5213 -14.5213 -14.5181 -14.5181 -14.1587 -14.1587 -14.1535 -14.1535 -14.1295 -14.1295 -14.1289 -14.1289 -0.8014 -0.8014 -0.8009 -0.8009 0.3318 0.3318 0.3341 0.3341 0.4542 0.4542 0.4556 0.4556 0.6694 0.6694 0.6722 0.6722 0.7040 0.7040 0.7048 0.7048 1.0656 1.0656 1.0662 1.0662 2.5949 2.5949 2.7430 2.7430 6.3026 6.3026 6.3621 6.3621 6.7636 6.7636 7.0336 7.0336 8.1071 8.1071 8.2052 8.2052 9.2791 9.2791 9.4396 9.4396 11.8151 11.8151 k = 0.5000 0.2887 0.2097 ( 4676 PWs) bands (ev): -33.2338 -33.2338 -33.2329 -33.2329 -14.5218 -14.5218 -14.5176 -14.5176 -14.1597 -14.1597 -14.1528 -14.1528 -14.1295 -14.1295 -14.1286 -14.1286 -0.8017 -0.8017 -0.8010 -0.8010 0.3315 0.3315 0.3345 0.3345 0.4540 0.4540 0.4558 0.4558 0.6691 0.6691 0.6728 0.6728 0.7039 0.7039 0.7050 0.7050 1.0652 1.0652 1.0659 1.0659 2.5742 2.5742 2.7705 2.7705 6.2930 6.2930 6.3717 6.3717 6.7105 6.7105 7.0558 7.0558 8.0877 8.0877 8.2005 8.2005 9.3011 9.3011 9.5213 9.5213 11.7706 11.7706 k = 0.5000 0.2887 0.1966 ( 4678 PWs) bands (ev): -33.2339 -33.2339 -33.2328 -33.2328 -14.5223 -14.5223 -14.5172 -14.5172 -14.1606 -14.1606 -14.1522 -14.1522 -14.1294 -14.1294 -14.1283 -14.1283 -0.8020 -0.8020 -0.8011 -0.8011 0.3312 0.3312 0.3349 0.3349 0.4537 0.4537 0.4560 0.4560 0.6687 0.6687 0.6734 0.6734 0.7038 0.7038 0.7051 0.7051 1.0647 1.0647 1.0657 1.0657 2.5548 2.5548 2.7985 2.7985 6.2838 6.2838 6.3810 6.3810 6.6580 6.6580 7.0668 7.0668 8.0760 8.0760 8.1903 8.1903 9.3319 9.3319 9.6158 9.6158 11.7286 11.7286 k = 0.5000 0.2887 0.1835 ( 4672 PWs) bands (ev): -33.2340 -33.2340 -33.2327 -33.2327 -14.5228 -14.5228 -14.5167 -14.5167 -14.1615 -14.1615 -14.1516 -14.1516 -14.1293 -14.1293 -14.1279 -14.1279 -0.8023 -0.8023 -0.8013 -0.8013 0.3310 0.3310 0.3353 0.3353 0.4535 0.4535 0.4563 0.4563 0.6685 0.6685 0.6740 0.6740 0.7036 0.7036 0.7052 0.7052 1.0641 1.0641 1.0653 1.0653 2.5369 2.5369 2.8266 2.8266 6.2748 6.2748 6.3898 6.3898 6.6069 6.6069 7.0659 7.0659 8.0741 8.0741 8.1761 8.1761 9.3695 9.3695 9.7213 9.7213 11.6891 11.6891 k = 0.5000 0.2887 0.1704 ( 4676 PWs) bands (ev): -33.2341 -33.2341 -33.2326 -33.2326 -14.5233 -14.5233 -14.5163 -14.5163 -14.1624 -14.1624 -14.1511 -14.1511 -14.1293 -14.1293 -14.1275 -14.1275 -0.8027 -0.8027 -0.8015 -0.8015 0.3308 0.3308 0.3356 0.3356 0.4533 0.4533 0.4565 0.4565 0.6683 0.6683 0.6746 0.6746 0.7035 0.7035 0.7052 0.7052 1.0635 1.0635 1.0649 1.0649 2.5203 2.5203 2.8546 2.8546 6.2662 6.2662 6.3978 6.3978 6.5578 6.5578 7.0536 7.0536 8.0826 8.0826 8.1594 8.1594 9.4123 9.4123 9.8359 9.8359 11.6521 11.6521 k = 0.5000 0.2887 0.1573 ( 4678 PWs) bands (ev): -33.2342 -33.2342 -33.2325 -33.2325 -14.5238 -14.5238 -14.5159 -14.5159 -14.1633 -14.1633 -14.1506 -14.1506 -14.1292 -14.1292 -14.1271 -14.1271 -0.8031 -0.8031 -0.8018 -0.8018 0.3305 0.3305 0.3360 0.3360 0.4531 0.4531 0.4567 0.4567 0.6681 0.6681 0.6752 0.6752 0.7034 0.7034 0.7053 0.7053 1.0628 1.0628 1.0645 1.0645 2.5051 2.5051 2.8822 2.8822 6.2580 6.2580 6.4045 6.4045 6.5119 6.5119 7.0313 7.0313 8.0999 8.0999 8.1421 8.1421 9.4587 9.4587 9.9580 9.9580 11.6178 11.6178 k = 0.5000 0.2887 0.1442 ( 4676 PWs) bands (ev): -33.2342 -33.2342 -33.2324 -33.2324 -14.5243 -14.5243 -14.5155 -14.5155 -14.1641 -14.1641 -14.1503 -14.1503 -14.1290 -14.1290 -14.1266 -14.1266 -0.8035 -0.8035 -0.8021 -0.8021 0.3304 0.3304 0.3364 0.3364 0.4530 0.4530 0.4568 0.4568 0.6679 0.6679 0.6758 0.6758 0.7033 0.7033 0.7054 0.7054 1.0621 1.0621 1.0641 1.0641 2.4913 2.4913 2.9093 2.9093 6.2503 6.2503 6.4077 6.4077 6.4718 6.4718 7.0013 7.0013 8.1122 8.1122 8.1372 8.1372 9.5075 9.5075 10.0864 10.0864 11.5862 11.5862 k = 0.5000 0.2887 0.1311 ( 4666 PWs) bands (ev): -33.2343 -33.2343 -33.2324 -33.2324 -14.5247 -14.5247 -14.5152 -14.5152 -14.1649 -14.1649 -14.1499 -14.1499 -14.1289 -14.1289 -14.1261 -14.1261 -0.8039 -0.8039 -0.8023 -0.8023 0.3302 0.3302 0.3367 0.3367 0.4528 0.4528 0.4571 0.4571 0.6678 0.6678 0.6764 0.6764 0.7032 0.7032 0.7055 0.7055 1.0613 1.0613 1.0636 1.0636 2.4789 2.4789 2.9355 2.9355 6.2431 6.2431 6.3981 6.3981 6.4466 6.4466 6.9661 6.9661 8.0978 8.0978 8.1649 8.1649 9.5574 9.5574 10.2198 10.2198 11.5573 11.5573 k = 0.5000 0.2887 0.1180 ( 4666 PWs) bands (ev): -33.2344 -33.2344 -33.2323 -33.2323 -14.5251 -14.5251 -14.5149 -14.5149 -14.1656 -14.1656 -14.1496 -14.1496 -14.1288 -14.1288 -14.1257 -14.1257 -0.8043 -0.8043 -0.8026 -0.8026 0.3301 0.3301 0.3370 0.3370 0.4527 0.4527 0.4572 0.4572 0.6677 0.6677 0.6769 0.6769 0.7031 0.7031 0.7055 0.7055 1.0606 1.0606 1.0632 1.0632 2.4678 2.4678 2.9605 2.9605 6.2364 6.2364 6.3703 6.3703 6.4424 6.4424 6.9283 6.9283 8.0797 8.0797 8.2006 8.2006 9.6073 9.6073 10.3573 10.3573 11.5310 11.5310 k = 0.5000 0.2887 0.1049 ( 4672 PWs) bands (ev): -33.2344 -33.2344 -33.2322 -33.2322 -14.5255 -14.5255 -14.5146 -14.5146 -14.1663 -14.1663 -14.1494 -14.1494 -14.1287 -14.1287 -14.1253 -14.1253 -0.8047 -0.8047 -0.8029 -0.8029 0.3299 0.3299 0.3373 0.3373 0.4525 0.4525 0.4574 0.4574 0.6675 0.6675 0.6774 0.6774 0.7030 0.7030 0.7055 0.7055 1.0598 1.0598 1.0627 1.0627 2.4581 2.4581 2.9839 2.9839 6.2303 6.2303 6.3381 6.3381 6.4455 6.4455 6.8897 6.8897 8.0622 8.0622 8.2385 8.2385 9.6561 9.6561 10.4978 10.4978 11.5074 11.5074 k = 0.5000 0.2887 0.0918 ( 4668 PWs) bands (ev): -33.2345 -33.2345 -33.2322 -33.2322 -14.5259 -14.5259 -14.5143 -14.5143 -14.1669 -14.1669 -14.1493 -14.1493 -14.1286 -14.1286 -14.1248 -14.1248 -0.8050 -0.8050 -0.8031 -0.8031 0.3298 0.3298 0.3376 0.3376 0.4524 0.4524 0.4575 0.4575 0.6675 0.6675 0.6779 0.6779 0.7030 0.7030 0.7055 0.7055 1.0591 1.0591 1.0623 1.0623 2.4496 2.4496 3.0056 3.0056 6.2249 6.2249 6.3076 6.3076 6.4499 6.4499 6.8522 6.8522 8.0459 8.0459 8.2763 8.2763 9.7027 9.7027 10.6406 10.6406 11.4866 11.4866 k = 0.5000 0.2887 0.0787 ( 4662 PWs) bands (ev): -33.2346 -33.2346 -33.2321 -33.2321 -14.5261 -14.5261 -14.5141 -14.5141 -14.1674 -14.1674 -14.1491 -14.1491 -14.1285 -14.1285 -14.1244 -14.1244 -0.8054 -0.8054 -0.8034 -0.8034 0.3298 0.3298 0.3379 0.3379 0.4523 0.4523 0.4576 0.4576 0.6674 0.6674 0.6784 0.6784 0.7030 0.7030 0.7055 0.7055 1.0584 1.0584 1.0620 1.0620 2.4424 2.4424 3.0251 3.0251 6.2200 6.2200 6.2802 6.2802 6.4543 6.4543 6.8172 6.8172 8.0313 8.0313 8.3123 8.3123 9.7460 9.7460 10.7847 10.7847 11.4685 11.4685 k = 0.5000 0.2887 0.0655 ( 4662 PWs) bands (ev): -33.2346 -33.2346 -33.2320 -33.2320 -14.5264 -14.5264 -14.5139 -14.5139 -14.1678 -14.1678 -14.1490 -14.1490 -14.1284 -14.1284 -14.1241 -14.1241 -0.8057 -0.8057 -0.8036 -0.8036 0.3297 0.3297 0.3381 0.3381 0.4522 0.4522 0.4577 0.4577 0.6674 0.6674 0.6787 0.6787 0.7030 0.7030 0.7055 0.7055 1.0578 1.0578 1.0617 1.0617 2.4363 2.4363 3.0422 3.0422 6.2159 6.2159 6.2566 6.2566 6.4583 6.4583 6.7859 6.7859 8.0186 8.0186 8.3451 8.3451 9.7850 9.7850 10.9291 10.9291 11.4531 11.4531 k = 0.5000 0.2887 0.0524 ( 4658 PWs) bands (ev): -33.2346 -33.2346 -33.2320 -33.2320 -14.5266 -14.5266 -14.5138 -14.5138 -14.1682 -14.1682 -14.1489 -14.1489 -14.1283 -14.1283 -14.1238 -14.1238 -0.8059 -0.8059 -0.8038 -0.8038 0.3297 0.3297 0.3382 0.3382 0.4521 0.4521 0.4578 0.4578 0.6674 0.6674 0.6791 0.6791 0.7029 0.7029 0.7055 0.7055 1.0572 1.0572 1.0614 1.0614 2.4314 2.4314 3.0566 3.0566 6.2125 6.2125 6.2371 6.2371 6.4617 6.4617 6.7592 6.7592 8.0080 8.0080 8.3736 8.3736 9.8187 9.8187 11.0724 11.0724 11.4405 11.4405 k = 0.5000 0.2887 0.0393 ( 4666 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5268 -14.5268 -14.5137 -14.5137 -14.1685 -14.1685 -14.1489 -14.1489 -14.1282 -14.1282 -14.1236 -14.1236 -0.8061 -0.8061 -0.8040 -0.8040 0.3296 0.3296 0.3384 0.3384 0.4521 0.4521 0.4579 0.4579 0.6674 0.6674 0.6793 0.6793 0.7029 0.7029 0.7054 0.7054 1.0568 1.0568 1.0612 1.0612 2.4277 2.4277 3.0680 3.0680 6.2098 6.2098 6.2217 6.2217 6.4644 6.4644 6.7377 6.7377 7.9996 7.9996 8.3967 8.3967 9.8460 9.8460 11.2129 11.2129 11.4308 11.4308 k = 0.5000 0.2887 0.0262 ( 4680 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5269 -14.5269 -14.5136 -14.5136 -14.1687 -14.1687 -14.1489 -14.1489 -14.1282 -14.1282 -14.1234 -14.1234 -0.8063 -0.8063 -0.8041 -0.8041 0.3295 0.3295 0.3384 0.3384 0.4520 0.4520 0.4579 0.4579 0.6673 0.6673 0.6795 0.6795 0.7029 0.7029 0.7054 0.7054 1.0564 1.0564 1.0610 1.0610 2.4250 2.4250 3.0764 3.0764 6.2077 6.2077 6.2108 6.2108 6.4664 6.4664 6.7219 6.7219 7.9935 7.9935 8.4138 8.4138 9.8662 9.8662 11.3473 11.3473 11.4238 11.4238 k = 0.5000 0.2887 0.0131 ( 4688 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5270 -14.5270 -14.5136 -14.5136 -14.1688 -14.1688 -14.1489 -14.1489 -14.1282 -14.1282 -14.1233 -14.1233 -0.8064 -0.8064 -0.8042 -0.8042 0.3295 0.3295 0.3385 0.3385 0.4520 0.4520 0.4579 0.4579 0.6673 0.6673 0.6796 0.6796 0.7029 0.7029 0.7053 0.7053 1.0562 1.0562 1.0609 1.0609 2.4234 2.4234 3.0814 3.0814 6.2037 6.2037 6.2069 6.2069 6.4676 6.4676 6.7123 6.7123 7.9899 7.9899 8.4243 8.4243 9.8786 9.8786 11.4192 11.4192 11.4672 11.4672 k = 0.5000 0.2887-0.0000 ( 4696 PWs) bands (ev): -33.2347 -33.2347 -33.2320 -33.2320 -14.5271 -14.5271 -14.5136 -14.5136 -14.1689 -14.1689 -14.1489 -14.1489 -14.1282 -14.1282 -14.1233 -14.1233 -0.8064 -0.8064 -0.8042 -0.8042 0.3294 0.3294 0.3385 0.3385 0.4520 0.4520 0.4579 0.4579 0.6672 0.6672 0.6796 0.6796 0.7029 0.7029 0.7053 0.7053 1.0562 1.0562 1.0609 1.0609 2.4229 2.4229 3.0831 3.0831 6.2015 6.2015 6.2064 6.2064 6.4680 6.4680 6.7091 6.7091 7.9887 7.9887 8.4278 8.4278 9.8828 9.8828 11.4180 11.4180 11.5305 11.5305 k = 0.3333 0.5774-0.0000 ( 4689 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5280 -14.5280 -14.5152 -14.5152 -14.1657 -14.1657 -14.1459 -14.1459 -14.1359 -14.1359 -14.1319 -14.1319 -0.7098 -0.7098 -0.6308 -0.6308 0.3224 0.3224 0.3313 0.3313 0.3382 0.3382 0.6183 0.6183 0.6645 0.6645 0.6728 0.6728 0.6824 0.6824 0.6842 0.6842 1.1657 1.1657 1.3402 1.3402 2.7907 2.7907 2.8240 2.8240 4.1661 4.1661 5.1711 5.1711 6.6596 6.6596 6.6649 6.6649 9.2688 9.2688 9.2697 9.2697 10.8637 10.8637 10.9062 10.9062 10.9521 10.9521 k = 0.3333 0.5774 0.0131 ( 4689 PWs) bands (ev): -33.2344 -33.2344 -33.2316 -33.2316 -14.5280 -14.5280 -14.5152 -14.5152 -14.1656 -14.1656 -14.1458 -14.1458 -14.1360 -14.1360 -14.1320 -14.1320 -0.7097 -0.7097 -0.6308 -0.6308 0.3223 0.3223 0.3313 0.3313 0.3382 0.3382 0.6183 0.6183 0.6645 0.6645 0.6728 0.6728 0.6824 0.6824 0.6842 0.6842 1.1657 1.1657 1.3402 1.3402 2.7904 2.7904 2.8238 2.8238 4.1673 4.1673 5.1691 5.1691 6.6619 6.6619 6.6672 6.6672 9.2622 9.2622 9.2629 9.2629 10.8697 10.8697 10.9121 10.9121 10.9556 10.9556 k = 0.3333 0.5774 0.0262 ( 4683 PWs) bands (ev): -33.2343 -33.2343 -33.2316 -33.2316 -14.5279 -14.5279 -14.5152 -14.5152 -14.1655 -14.1655 -14.1457 -14.1457 -14.1360 -14.1360 -14.1321 -14.1321 -0.7096 -0.7096 -0.6307 -0.6307 0.3223 0.3223 0.3313 0.3313 0.3382 0.3382 0.6183 0.6183 0.6645 0.6645 0.6727 0.6727 0.6825 0.6825 0.6843 0.6843 1.1657 1.1657 1.3402 1.3402 2.7897 2.7897 2.8230 2.8230 4.1712 4.1712 5.1633 5.1633 6.6687 6.6687 6.6739 6.6739 9.2426 9.2426 9.2432 9.2432 10.8873 10.8873 10.9292 10.9292 10.9660 10.9660 k = 0.3333 0.5774 0.0393 ( 4692 PWs) bands (ev): -33.2343 -33.2343 -33.2317 -33.2317 -14.5278 -14.5278 -14.5154 -14.5154 -14.1653 -14.1653 -14.1457 -14.1457 -14.1361 -14.1361 -14.1325 -14.1325 -0.7095 -0.7095 -0.6306 -0.6306 0.3222 0.3222 0.3313 0.3313 0.3382 0.3382 0.6182 0.6182 0.6645 0.6645 0.6724 0.6724 0.6826 0.6826 0.6844 0.6844 1.1657 1.1657 1.3402 1.3402 2.7885 2.7885 2.8217 2.8217 4.1775 4.1775 5.1536 5.1536 6.6801 6.6801 6.6851 6.6851 9.2111 9.2111 9.2114 9.2114 10.9155 10.9155 10.9568 10.9568 10.9832 10.9832 k = 0.3333 0.5774 0.0524 ( 4668 PWs) bands (ev): -33.2343 -33.2343 -33.2317 -33.2317 -14.5276 -14.5276 -14.5155 -14.5155 -14.1648 -14.1648 -14.1456 -14.1456 -14.1361 -14.1361 -14.1328 -14.1328 -0.7094 -0.7094 -0.6304 -0.6304 0.3222 0.3222 0.3313 0.3313 0.3383 0.3383 0.6181 0.6181 0.6645 0.6645 0.6722 0.6722 0.6827 0.6827 0.6847 0.6847 1.1657 1.1657 1.3402 1.3402 2.7868 2.7868 2.8200 2.8200 4.1864 4.1864 5.1403 5.1403 6.6958 6.6958 6.7006 6.7006 9.1689 9.1689 9.1690 9.1690 10.9530 10.9530 10.9933 10.9933 11.0071 11.0071 k = 0.3333 0.5774 0.0655 ( 4674 PWs) bands (ev): -33.2343 -33.2343 -33.2317 -33.2317 -14.5274 -14.5274 -14.5156 -14.5156 -14.1644 -14.1644 -14.1455 -14.1455 -14.1363 -14.1363 -14.1333 -14.1333 -0.7092 -0.7092 -0.6301 -0.6301 0.3221 0.3221 0.3312 0.3312 0.3383 0.3383 0.6180 0.6180 0.6645 0.6645 0.6718 0.6718 0.6828 0.6828 0.6849 0.6849 1.1656 1.1656 1.3403 1.3403 2.7848 2.7848 2.8179 2.8179 4.1978 4.1978 5.1234 5.1234 6.7158 6.7158 6.7202 6.7202 9.1177 9.1177 9.1178 9.1178 10.9983 10.9983 11.0343 11.0343 11.0401 11.0401 k = 0.3333 0.5774 0.0787 ( 4671 PWs) bands (ev): -33.2342 -33.2342 -33.2317 -33.2317 -14.5271 -14.5271 -14.5158 -14.5158 -14.1639 -14.1639 -14.1453 -14.1453 -14.1364 -14.1364 -14.1339 -14.1339 -0.7090 -0.7090 -0.6299 -0.6299 0.3220 0.3220 0.3312 0.3312 0.3383 0.3383 0.6178 0.6178 0.6645 0.6645 0.6715 0.6715 0.6830 0.6830 0.6852 0.6852 1.1656 1.1656 1.3403 1.3403 2.7824 2.7824 2.8154 2.8154 4.2116 4.2116 5.1032 5.1032 6.7398 6.7398 6.7438 6.7438 9.0591 9.0591 9.0594 9.0594 11.0498 11.0498 11.0709 11.0709 11.0891 11.0891 k = 0.3333 0.5774 0.0918 ( 4653 PWs) bands (ev): -33.2342 -33.2342 -33.2318 -33.2318 -14.5268 -14.5268 -14.5159 -14.5159 -14.1633 -14.1633 -14.1451 -14.1451 -14.1366 -14.1366 -14.1345 -14.1345 -0.7087 -0.7087 -0.6296 -0.6296 0.3219 0.3219 0.3312 0.3312 0.3384 0.3384 0.6177 0.6177 0.6645 0.6645 0.6711 0.6711 0.6831 0.6831 0.6856 0.6856 1.1655 1.1655 1.3404 1.3404 2.7797 2.7797 2.8126 2.8126 4.2277 4.2277 5.0799 5.0799 6.7676 6.7676 6.7712 6.7712 8.9950 8.9950 8.9953 8.9953 11.1062 11.1062 11.1109 11.1109 11.1370 11.1372 k = 0.3333 0.5774 0.1049 ( 4659 PWs) bands (ev): -33.2341 -33.2341 -33.2319 -33.2319 -14.5265 -14.5265 -14.5162 -14.5162 -14.1626 -14.1626 -14.1449 -14.1449 -14.1368 -14.1368 -14.1353 -14.1353 -0.7084 -0.7084 -0.6293 -0.6293 0.3217 0.3217 0.3312 0.3312 0.3384 0.3384 0.6175 0.6175 0.6645 0.6645 0.6707 0.6707 0.6832 0.6832 0.6860 0.6860 1.1655 1.1655 1.3404 1.3404 2.7768 2.7768 2.8096 2.8096 4.2463 4.2463 5.0536 5.0536 6.7990 6.7990 6.8020 6.8020 8.9267 8.9267 8.9269 8.9269 11.1548 11.1548 11.1562 11.1562 11.1661 11.1661 k = 0.3333 0.5774 0.1180 ( 4665 PWs) bands (ev): -33.2340 -33.2340 -33.2319 -33.2319 -14.5262 -14.5262 -14.5164 -14.5164 -14.1619 -14.1619 -14.1446 -14.1446 -14.1371 -14.1371 -14.1362 -14.1362 -0.7082 -0.7082 -0.6290 -0.6290 0.3215 0.3215 0.3312 0.3312 0.3384 0.3384 0.6173 0.6173 0.6644 0.6644 0.6703 0.6703 0.6833 0.6833 0.6863 0.6863 1.1654 1.1654 1.3404 1.3404 2.7738 2.7738 2.8065 2.8065 4.2670 4.2670 5.0248 5.0248 6.8334 6.8334 6.8358 6.8358 8.8558 8.8558 8.8558 8.8558 11.1748 11.1748 11.2013 11.2013 11.2286 11.2287 k = 0.3333 0.5774 0.1311 ( 4659 PWs) bands (ev): -33.2340 -33.2340 -33.2320 -33.2320 -14.5257 -14.5257 -14.5167 -14.5167 -14.1610 -14.1610 -14.1444 -14.1444 -14.1373 -14.1373 -14.1372 -14.1372 -0.7079 -0.7079 -0.6286 -0.6286 0.3213 0.3213 0.3311 0.3311 0.3384 0.3384 0.6171 0.6171 0.6644 0.6644 0.6699 0.6699 0.6834 0.6834 0.6867 0.6867 1.1654 1.1654 1.3405 1.3405 2.7707 2.7707 2.8032 2.8032 4.2900 4.2900 4.9936 4.9936 6.8706 6.8706 6.8723 6.8723 8.7831 8.7831 8.7834 8.7834 11.1951 11.1951 11.2492 11.2492 11.2929 11.2929 k = 0.3333 0.5774 0.1442 ( 4656 PWs) bands (ev): -33.2339 -33.2339 -33.2321 -33.2321 -14.5253 -14.5253 -14.5171 -14.5171 -14.1601 -14.1601 -14.1441 -14.1441 -14.1382 -14.1382 -14.1376 -14.1376 -0.7076 -0.7076 -0.6283 -0.6283 0.3212 0.3212 0.3311 0.3311 0.3385 0.3385 0.6169 0.6169 0.6644 0.6644 0.6695 0.6695 0.6835 0.6835 0.6870 0.6870 1.1653 1.1653 1.3406 1.3406 2.7676 2.7676 2.8000 2.8000 4.3151 4.3151 4.9604 4.9604 6.9099 6.9099 6.9109 6.9109 8.7102 8.7102 8.7109 8.7109 11.2170 11.2170 11.2966 11.2966 11.3580 11.3580 k = 0.3333 0.5774 0.1573 ( 4662 PWs) bands (ev): -33.2338 -33.2338 -33.2322 -33.2322 -14.5249 -14.5249 -14.5174 -14.5174 -14.1591 -14.1591 -14.1438 -14.1438 -14.1393 -14.1393 -14.1379 -14.1379 -0.7073 -0.7073 -0.6279 -0.6279 0.3210 0.3210 0.3311 0.3311 0.3385 0.3385 0.6167 0.6167 0.6643 0.6643 0.6691 0.6691 0.6836 0.6836 0.6873 0.6873 1.1653 1.1653 1.3406 1.3406 2.7646 2.7646 2.7969 2.7969 4.3421 4.3421 4.9255 4.9255 6.9506 6.9506 6.9508 6.9508 8.6382 8.6382 8.6395 8.6395 11.2403 11.2403 11.3416 11.3416 11.4236 11.4236 k = 0.3333 0.5774 0.1704 ( 4650 PWs) bands (ev): -33.2337 -33.2337 -33.2322 -33.2322 -14.5244 -14.5244 -14.5178 -14.5178 -14.1580 -14.1580 -14.1434 -14.1434 -14.1404 -14.1404 -14.1382 -14.1382 -0.7070 -0.7070 -0.6276 -0.6276 0.3209 0.3209 0.3310 0.3310 0.3386 0.3386 0.6166 0.6166 0.6643 0.6643 0.6688 0.6688 0.6837 0.6837 0.6877 0.6877 1.1652 1.1652 1.3407 1.3407 2.7618 2.7618 2.7940 2.7940 4.3711 4.3711 4.8891 4.8891 6.9912 6.9912 6.9919 6.9919 8.5684 8.5684 8.5704 8.5704 11.2647 11.2647 11.3820 11.3820 11.4890 11.4891 k = 0.3333 0.5774 0.1835 ( 4653 PWs) bands (ev): -33.2336 -33.2336 -33.2323 -33.2323 -14.5239 -14.5239 -14.5182 -14.5182 -14.1569 -14.1569 -14.1431 -14.1431 -14.1416 -14.1416 -14.1385 -14.1385 -0.7068 -0.7068 -0.6273 -0.6273 0.3207 0.3207 0.3310 0.3310 0.3386 0.3386 0.6164 0.6164 0.6643 0.6643 0.6685 0.6685 0.6837 0.6837 0.6880 0.6880 1.1652 1.1652 1.3407 1.3407 2.7592 2.7592 2.7913 2.7913 4.4018 4.4018 4.8516 4.8516 7.0312 7.0312 7.0328 7.0328 8.5023 8.5023 8.5050 8.5050 11.2901 11.2901 11.4154 11.4154 11.5539 11.5540 k = 0.3333 0.5774 0.1966 ( 4653 PWs) bands (ev): -33.2335 -33.2335 -33.2324 -33.2324 -14.5235 -14.5235 -14.5186 -14.5186 -14.1558 -14.1558 -14.1429 -14.1429 -14.1427 -14.1427 -14.1389 -14.1389 -0.7065 -0.7065 -0.6271 -0.6271 0.3206 0.3206 0.3310 0.3310 0.3386 0.3386 0.6162 0.6162 0.6643 0.6643 0.6682 0.6682 0.6838 0.6838 0.6882 0.6882 1.1651 1.1651 1.3407 1.3407 2.7569 2.7569 2.7888 2.7888 4.4341 4.4341 4.8133 4.8133 7.0695 7.0695 7.0719 7.0719 8.4414 8.4414 8.4448 8.4448 11.3160 11.3160 11.4404 11.4404 11.6177 11.6177 k = 0.3333 0.5774 0.2097 ( 4653 PWs) bands (ev): -33.2334 -33.2334 -33.2326 -33.2326 -14.5230 -14.5230 -14.5190 -14.5190 -14.1546 -14.1546 -14.1441 -14.1441 -14.1423 -14.1423 -14.1393 -14.1393 -0.7064 -0.7064 -0.6269 -0.6269 0.3205 0.3205 0.3309 0.3309 0.3386 0.3386 0.6161 0.6161 0.6643 0.6643 0.6680 0.6680 0.6838 0.6838 0.6884 0.6884 1.1651 1.1651 1.3408 1.3408 2.7549 2.7549 2.7868 2.7868 4.4678 4.4678 4.7744 4.7744 7.1046 7.1046 7.1078 7.1078 8.3874 8.3874 8.3916 8.3916 11.3421 11.3421 11.4559 11.4559 11.6798 11.6798 k = 0.3333 0.5774 0.2228 ( 4647 PWs) bands (ev): -33.2333 -33.2333 -33.2326 -33.2326 -14.5224 -14.5224 -14.5194 -14.5194 -14.1533 -14.1533 -14.1454 -14.1454 -14.1420 -14.1420 -14.1397 -14.1397 -0.7062 -0.7062 -0.6267 -0.6267 0.3204 0.3204 0.3310 0.3310 0.3386 0.3386 0.6160 0.6160 0.6643 0.6643 0.6678 0.6678 0.6839 0.6839 0.6886 0.6886 1.1651 1.1651 1.3408 1.3408 2.7533 2.7533 2.7851 2.7851 4.5028 4.5028 4.7353 4.7353 7.1347 7.1347 7.1388 7.1388 8.3423 8.3423 8.3472 8.3472 11.3677 11.3677 11.4620 11.4620 11.7393 11.7393 k = 0.3333 0.5774 0.2360 ( 4647 PWs) bands (ev): -33.2332 -33.2332 -33.2328 -33.2328 -14.5219 -14.5219 -14.5199 -14.5199 -14.1521 -14.1521 -14.1468 -14.1468 -14.1416 -14.1416 -14.1400 -14.1400 -0.7061 -0.7061 -0.6266 -0.6266 0.3203 0.3203 0.3309 0.3309 0.3386 0.3386 0.6159 0.6159 0.6643 0.6643 0.6677 0.6677 0.6839 0.6839 0.6887 0.6887 1.1651 1.1651 1.3408 1.3408 2.7521 2.7521 2.7839 2.7839 4.5386 4.5386 4.6965 4.6965 7.1580 7.1580 7.1628 7.1628 8.3080 8.3080 8.3135 8.3135 11.3922 11.3922 11.4595 11.4595 11.7941 11.7941 k = 0.3333 0.5774 0.2491 ( 4650 PWs) bands (ev): -33.2331 -33.2331 -33.2329 -33.2329 -14.5214 -14.5214 -14.5204 -14.5204 -14.1507 -14.1507 -14.1481 -14.1481 -14.1412 -14.1412 -14.1405 -14.1405 -0.7060 -0.7060 -0.6265 -0.6265 0.3203 0.3203 0.3309 0.3309 0.3386 0.3386 0.6159 0.6159 0.6643 0.6643 0.6676 0.6676 0.6839 0.6839 0.6888 0.6888 1.1650 1.1650 1.3408 1.3408 2.7514 2.7514 2.7832 2.7832 4.5743 4.5743 4.6589 4.6589 7.1728 7.1728 7.1780 7.1780 8.2866 8.2866 8.2925 8.2925 11.4147 11.4147 11.4499 11.4499 11.8385 11.8385 k = 0.3333 0.5774 0.2622 ( 4662 PWs) bands (ev): -33.2330 -33.2330 -33.2329 -33.2329 -14.5210 -14.5210 -14.5209 -14.5209 -14.1495 -14.1495 -14.1494 -14.1494 -14.1409 -14.1409 -14.1408 -14.1408 -0.7060 -0.7060 -0.6265 -0.6265 0.3203 0.3203 0.3309 0.3309 0.3386 0.3386 0.6158 0.6158 0.6642 0.6642 0.6676 0.6676 0.6839 0.6839 0.6888 0.6888 1.1650 1.1650 1.3408 1.3408 2.7512 2.7512 2.7830 2.7830 4.5990 4.5990 4.6336 4.6336 7.1779 7.1779 7.1833 7.1833 8.2792 8.2792 8.2853 8.2853 11.4322 11.4322 11.4366 11.4366 11.8578 11.8578 Writing output data file CaZnGe.save init_run : 0.32s CPU 0.51s WALL ( 1 calls) electrons : 366.26s CPU 372.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 366.25s CPU 372.26s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 303 calls) cegterg : 350.69s CPU 355.43s WALL ( 1096 calls) Called by sum_band: Called by *egterg: h_psi : 142.84s CPU 145.39s WALL ( 20592 calls) s_psi : 11.72s CPU 11.85s WALL ( 20592 calls) g_psi : 0.48s CPU 0.46s WALL ( 19193 calls) cdiaghg : 164.64s CPU 166.72s WALL ( 19496 calls) cegterg:over : 14.83s CPU 14.77s WALL ( 19193 calls) cegterg:upda : 15.32s CPU 15.74s WALL ( 19193 calls) cegterg:last : 5.52s CPU 5.46s WALL ( 2005 calls) cdiaghg:chol : 9.42s CPU 9.37s WALL ( 19496 calls) cdiaghg:inve : 6.28s CPU 6.47s WALL ( 19496 calls) cdiaghg:para : 9.98s CPU 10.18s WALL ( 38992 calls) Called by h_psi: h_psi:vloc : 115.33s CPU 117.49s WALL ( 20592 calls) h_psi:vnl : 26.94s CPU 27.34s WALL ( 20592 calls) add_vuspsi : 14.22s CPU 14.20s WALL ( 20592 calls) General routines calbec : 12.66s CPU 13.08s WALL ( 20592 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 107.34s CPU 109.16s WALL ( 1489720 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.25s WALL ( 606 calls) Parallel routines fft_scatter : 45.96s CPU 46.68s WALL ( 1489743 calls) PWSCF : 6m25.01s CPU 7m 2.90s WALL This run was terminated on: 16:46:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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