Program PWSCF v.5.1.1 starts on 31Jul2015 at 3:34:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./GaSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 16 4 956 588 91 Max 23 17 6 962 604 101 Sum 1069 769 235 46061 28543 4573 bravais-lattice index = 14 lattice parameter (alat) = 8.0011 a.u. unit-cell volume = 725.3092 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.001100 celldm(2)= 1.000000 celldm(3)= 1.635097 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 1.635097 ) 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 0.611585 ) PseudoPot. # 1 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Sb 5.00 121.76000 Sb( 1.00) Ga 13.00 69.72300 Ga( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8175484 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8175484 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8175484 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8175484 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8175484 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8175484 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 314 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0031847 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0031847 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0031847 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0031847 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0031847 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0031847 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0031847 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0031847 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0031847 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0031847 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0031847 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0031847 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0031847 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0031847 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0031847 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0031847 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0031847 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0031847 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0031847 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0031847 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0031847 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0031847 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0031847 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0031847 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0031847 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0031847 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0031847 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0031847 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0031847 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0031847 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0031847 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0031847 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0031847 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0031847 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0031847 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0031847 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0031847 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0031847 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0031847 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0031847 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0031847 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0031847 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0031847 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0031847 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0031847 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0031847 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0031847 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0031847 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0031847 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0031847 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0031847 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0031847 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0031847 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0031847 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0031847 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0031847 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0031847 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0031847 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0031847 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0031847 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0031847 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0031847 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0031847 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0031847 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0031847 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0031847 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0031847 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0031847 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0031847 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0031847 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0031847 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0031847 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0031847 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0031847 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0031847 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0031847 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0031847 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0031847 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0031847 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0031847 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0031847 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0031847 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0031847 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0031847 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0031847 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0031847 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0031847 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0031847 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0031847 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0031847 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031847 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0031847 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0031847 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0031847 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0031847 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0031847 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0031847 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0031847 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0031847 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0031847 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0031847 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0031847 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0031847 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0031847 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0031847 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0031847 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0031847 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0031847 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0031847 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0031847 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0031847 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0031847 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0031847 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0031847 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0031847 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 123) = ( 0.0000000 0.0000000 0.0132953), wk = 0.0031847 k( 124) = ( 0.0000000 0.0000000 0.0265906), wk = 0.0031847 k( 125) = ( 0.0000000 0.0000000 0.0398859), wk = 0.0031847 k( 126) = ( 0.0000000 0.0000000 0.0531813), wk = 0.0031847 k( 127) = ( 0.0000000 0.0000000 0.0664766), wk = 0.0031847 k( 128) = ( 0.0000000 0.0000000 0.0797719), wk = 0.0031847 k( 129) = ( 0.0000000 0.0000000 0.0930672), wk = 0.0031847 k( 130) = ( 0.0000000 0.0000000 0.1063625), wk = 0.0031847 k( 131) = ( 0.0000000 0.0000000 0.1196578), wk = 0.0031847 k( 132) = ( 0.0000000 0.0000000 0.1329532), wk = 0.0031847 k( 133) = ( 0.0000000 0.0000000 0.1462485), wk = 0.0031847 k( 134) = ( 0.0000000 0.0000000 0.1595438), wk = 0.0031847 k( 135) = ( 0.0000000 0.0000000 0.1728391), wk = 0.0031847 k( 136) = ( 0.0000000 0.0000000 0.1861344), wk = 0.0031847 k( 137) = ( 0.0000000 0.0000000 0.1994298), wk = 0.0031847 k( 138) = ( 0.0000000 0.0000000 0.2127251), wk = 0.0031847 k( 139) = ( 0.0000000 0.0000000 0.2260204), wk = 0.0031847 k( 140) = ( 0.0000000 0.0000000 0.2393157), wk = 0.0031847 k( 141) = ( 0.0000000 0.0000000 0.2526110), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.2659063), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.2792017), wk = 0.0031847 k( 144) = ( 0.0000000 0.0000000 0.2924970), wk = 0.0031847 k( 145) = ( 0.0000000 0.0000000 0.3057923), wk = 0.0031847 k( 146) = ( 0.0000000 0.0000000 0.3057923), wk = 0.0031847 k( 147) = ( 0.0116279 0.0067134 0.3057923), wk = 0.0031847 k( 148) = ( 0.0232558 0.0134267 0.3057923), wk = 0.0031847 k( 149) = ( 0.0348837 0.0201401 0.3057923), wk = 0.0031847 k( 150) = ( 0.0465116 0.0268535 0.3057923), wk = 0.0031847 k( 151) = ( 0.0581395 0.0335669 0.3057923), wk = 0.0031847 k( 152) = ( 0.0697674 0.0402803 0.3057923), wk = 0.0031847 k( 153) = ( 0.0813954 0.0469936 0.3057923), wk = 0.0031847 k( 154) = ( 0.0930233 0.0537070 0.3057923), wk = 0.0031847 k( 155) = ( 0.1046512 0.0604204 0.3057923), wk = 0.0031847 k( 156) = ( 0.1162791 0.0671338 0.3057923), wk = 0.0031847 k( 157) = ( 0.1279070 0.0738471 0.3057923), wk = 0.0031847 k( 158) = ( 0.1395349 0.0805605 0.3057923), wk = 0.0031847 k( 159) = ( 0.1511628 0.0872739 0.3057923), wk = 0.0031847 k( 160) = ( 0.1627907 0.0939873 0.3057923), wk = 0.0031847 k( 161) = ( 0.1744186 0.1007006 0.3057923), wk = 0.0031847 k( 162) = ( 0.1860465 0.1074140 0.3057923), wk = 0.0031847 k( 163) = ( 0.1976744 0.1141274 0.3057923), wk = 0.0031847 k( 164) = ( 0.2093023 0.1208408 0.3057923), wk = 0.0031847 k( 165) = ( 0.2209302 0.1275541 0.3057923), wk = 0.0031847 k( 166) = ( 0.2325581 0.1342675 0.3057923), wk = 0.0031847 k( 167) = ( 0.2441860 0.1409809 0.3057923), wk = 0.0031847 k( 168) = ( 0.2558140 0.1476943 0.3057923), wk = 0.0031847 k( 169) = ( 0.2674419 0.1544076 0.3057923), wk = 0.0031847 k( 170) = ( 0.2790698 0.1611210 0.3057923), wk = 0.0031847 k( 171) = ( 0.2906977 0.1678344 0.3057923), wk = 0.0031847 k( 172) = ( 0.3023256 0.1745478 0.3057923), wk = 0.0031847 k( 173) = ( 0.3139535 0.1812611 0.3057923), wk = 0.0031847 k( 174) = ( 0.3255814 0.1879745 0.3057923), wk = 0.0031847 k( 175) = ( 0.3372093 0.1946879 0.3057923), wk = 0.0031847 k( 176) = ( 0.3488372 0.2014013 0.3057923), wk = 0.0031847 k( 177) = ( 0.3604651 0.2081146 0.3057923), wk = 0.0031847 k( 178) = ( 0.3720930 0.2148280 0.3057923), wk = 0.0031847 k( 179) = ( 0.3837209 0.2215414 0.3057923), wk = 0.0031847 k( 180) = ( 0.3953488 0.2282548 0.3057923), wk = 0.0031847 k( 181) = ( 0.4069767 0.2349681 0.3057923), wk = 0.0031847 k( 182) = ( 0.4186047 0.2416815 0.3057923), wk = 0.0031847 k( 183) = ( 0.4302326 0.2483949 0.3057923), wk = 0.0031847 k( 184) = ( 0.4418605 0.2551083 0.3057923), wk = 0.0031847 k( 185) = ( 0.4534884 0.2618216 0.3057923), wk = 0.0031847 k( 186) = ( 0.4651163 0.2685350 0.3057923), wk = 0.0031847 k( 187) = ( 0.4767442 0.2752484 0.3057923), wk = 0.0031847 k( 188) = ( 0.4883721 0.2819618 0.3057923), wk = 0.0031847 k( 189) = ( 0.5000000 0.2886751 0.3057923), wk = 0.0031847 k( 190) = ( 0.5000000 0.2886751 0.3057923), wk = 0.0031847 k( 191) = ( 0.4933333 0.3002221 0.3057923), wk = 0.0031847 k( 192) = ( 0.4866667 0.3117692 0.3057923), wk = 0.0031847 k( 193) = ( 0.4800000 0.3233162 0.3057923), wk = 0.0031847 k( 194) = ( 0.4733333 0.3348632 0.3057923), wk = 0.0031847 k( 195) = ( 0.4666667 0.3464102 0.3057923), wk = 0.0031847 k( 196) = ( 0.4600000 0.3579572 0.3057923), wk = 0.0031847 k( 197) = ( 0.4533333 0.3695042 0.3057923), wk = 0.0031847 k( 198) = ( 0.4466667 0.3810512 0.3057923), wk = 0.0031847 k( 199) = ( 0.4400000 0.3925982 0.3057923), wk = 0.0031847 k( 200) = ( 0.4333333 0.4041452 0.3057923), wk = 0.0031847 k( 201) = ( 0.4266667 0.4156922 0.3057923), wk = 0.0031847 k( 202) = ( 0.4200000 0.4272392 0.3057923), wk = 0.0031847 k( 203) = ( 0.4133333 0.4387862 0.3057923), wk = 0.0031847 k( 204) = ( 0.4066667 0.4503332 0.3057923), wk = 0.0031847 k( 205) = ( 0.4000000 0.4618802 0.3057923), wk = 0.0031847 k( 206) = ( 0.3933333 0.4734272 0.3057923), wk = 0.0031847 k( 207) = ( 0.3866667 0.4849742 0.3057923), wk = 0.0031847 k( 208) = ( 0.3800000 0.4965212 0.3057923), wk = 0.0031847 k( 209) = ( 0.3733333 0.5080682 0.3057923), wk = 0.0031847 k( 210) = ( 0.3666667 0.5196152 0.3057923), wk = 0.0031847 k( 211) = ( 0.3600000 0.5311622 0.3057923), wk = 0.0031847 k( 212) = ( 0.3533333 0.5427092 0.3057923), wk = 0.0031847 k( 213) = ( 0.3466667 0.5542563 0.3057923), wk = 0.0031847 k( 214) = ( 0.3400000 0.5658033 0.3057923), wk = 0.0031847 k( 215) = ( 0.3333333 0.5773503 0.3057923), wk = 0.0031847 k( 216) = ( 0.3333333 0.5773503 0.3057923), wk = 0.0031847 k( 217) = ( 0.3266667 0.5658033 0.3057923), wk = 0.0031847 k( 218) = ( 0.3200000 0.5542563 0.3057923), wk = 0.0031847 k( 219) = ( 0.3133333 0.5427092 0.3057923), wk = 0.0031847 k( 220) = ( 0.3066667 0.5311623 0.3057923), wk = 0.0031847 k( 221) = ( 0.3000000 0.5196152 0.3057923), wk = 0.0031847 k( 222) = ( 0.2933333 0.5080682 0.3057923), wk = 0.0031847 k( 223) = ( 0.2866667 0.4965212 0.3057923), wk = 0.0031847 k( 224) = ( 0.2800000 0.4849742 0.3057923), wk = 0.0031847 k( 225) = ( 0.2733333 0.4734272 0.3057923), wk = 0.0031847 k( 226) = ( 0.2666667 0.4618802 0.3057923), wk = 0.0031847 k( 227) = ( 0.2600000 0.4503332 0.3057923), wk = 0.0031847 k( 228) = ( 0.2533333 0.4387862 0.3057923), wk = 0.0031847 k( 229) = ( 0.2466667 0.4272392 0.3057923), wk = 0.0031847 k( 230) = ( 0.2400000 0.4156922 0.3057923), wk = 0.0031847 k( 231) = ( 0.2333333 0.4041452 0.3057923), wk = 0.0031847 k( 232) = ( 0.2266667 0.3925982 0.3057923), wk = 0.0031847 k( 233) = ( 0.2200000 0.3810512 0.3057923), wk = 0.0031847 k( 234) = ( 0.2133333 0.3695042 0.3057923), wk = 0.0031847 k( 235) = ( 0.2066667 0.3579572 0.3057923), wk = 0.0031847 k( 236) = ( 0.2000000 0.3464102 0.3057923), wk = 0.0031847 k( 237) = ( 0.1933333 0.3348632 0.3057923), wk = 0.0031847 k( 238) = ( 0.1866667 0.3233162 0.3057923), wk = 0.0031847 k( 239) = ( 0.1800000 0.3117691 0.3057923), wk = 0.0031847 k( 240) = ( 0.1733333 0.3002221 0.3057923), wk = 0.0031847 k( 241) = ( 0.1666667 0.2886751 0.3057923), wk = 0.0031847 k( 242) = ( 0.1600000 0.2771281 0.3057923), wk = 0.0031847 k( 243) = ( 0.1533333 0.2655811 0.3057923), wk = 0.0031847 k( 244) = ( 0.1466667 0.2540341 0.3057923), wk = 0.0031847 k( 245) = ( 0.1400000 0.2424871 0.3057923), wk = 0.0031847 k( 246) = ( 0.1333333 0.2309401 0.3057923), wk = 0.0031847 k( 247) = ( 0.1266667 0.2193931 0.3057923), wk = 0.0031847 k( 248) = ( 0.1200000 0.2078461 0.3057923), wk = 0.0031847 k( 249) = ( 0.1133333 0.1962991 0.3057923), wk = 0.0031847 k( 250) = ( 0.1066667 0.1847521 0.3057923), wk = 0.0031847 k( 251) = ( 0.1000000 0.1732051 0.3057923), wk = 0.0031847 k( 252) = ( 0.0933333 0.1616581 0.3057923), wk = 0.0031847 k( 253) = ( 0.0866667 0.1501111 0.3057923), wk = 0.0031847 k( 254) = ( 0.0800000 0.1385641 0.3057923), wk = 0.0031847 k( 255) = ( 0.0733333 0.1270171 0.3057923), wk = 0.0031847 k( 256) = ( 0.0666667 0.1154701 0.3057923), wk = 0.0031847 k( 257) = ( 0.0600000 0.1039230 0.3057923), wk = 0.0031847 k( 258) = ( 0.0533333 0.0923760 0.3057923), wk = 0.0031847 k( 259) = ( 0.0466667 0.0808290 0.3057923), wk = 0.0031847 k( 260) = ( 0.0400000 0.0692820 0.3057923), wk = 0.0031847 k( 261) = ( 0.0333333 0.0577350 0.3057923), wk = 0.0031847 k( 262) = ( 0.0266667 0.0461880 0.3057923), wk = 0.0031847 k( 263) = ( 0.0200000 0.0346410 0.3057923), wk = 0.0031847 k( 264) = ( 0.0133333 0.0230940 0.3057923), wk = 0.0031847 k( 265) = ( 0.0066667 0.0115470 0.3057923), wk = 0.0031847 k( 266) = ( 0.0000000 0.0000000 0.3057923), wk = 0.0031847 k( 267) = ( 0.5000000 0.2886751 0.3057923), wk = 0.0031847 k( 268) = ( 0.5000000 0.2886751 0.2924970), wk = 0.0031847 k( 269) = ( 0.5000000 0.2886751 0.2792017), wk = 0.0031847 k( 270) = ( 0.5000000 0.2886751 0.2659063), wk = 0.0031847 k( 271) = ( 0.5000000 0.2886751 0.2526110), wk = 0.0031847 k( 272) = ( 0.5000000 0.2886751 0.2393157), wk = 0.0031847 k( 273) = ( 0.5000000 0.2886751 0.2260204), wk = 0.0031847 k( 274) = ( 0.5000000 0.2886751 0.2127251), wk = 0.0031847 k( 275) = ( 0.5000000 0.2886751 0.1994298), wk = 0.0031847 k( 276) = ( 0.5000000 0.2886751 0.1861344), wk = 0.0031847 k( 277) = ( 0.5000000 0.2886751 0.1728391), wk = 0.0031847 k( 278) = ( 0.5000000 0.2886751 0.1595438), wk = 0.0031847 k( 279) = ( 0.5000000 0.2886751 0.1462485), wk = 0.0031847 k( 280) = ( 0.5000000 0.2886751 0.1329532), wk = 0.0031847 k( 281) = ( 0.5000000 0.2886751 0.1196578), wk = 0.0031847 k( 282) = ( 0.5000000 0.2886751 0.1063625), wk = 0.0031847 k( 283) = ( 0.5000000 0.2886751 0.0930672), wk = 0.0031847 k( 284) = ( 0.5000000 0.2886751 0.0797719), wk = 0.0031847 k( 285) = ( 0.5000000 0.2886751 0.0664766), wk = 0.0031847 k( 286) = ( 0.5000000 0.2886751 0.0531813), wk = 0.0031847 k( 287) = ( 0.5000000 0.2886751 0.0398859), wk = 0.0031847 k( 288) = ( 0.5000000 0.2886751 0.0265906), wk = 0.0031847 k( 289) = ( 0.5000000 0.2886751 0.0132953), wk = 0.0031847 k( 290) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 291) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 292) = ( 0.3333333 0.5773503 0.0132953), wk = 0.0031847 k( 293) = ( 0.3333333 0.5773503 0.0265906), wk = 0.0031847 k( 294) = ( 0.3333333 0.5773503 0.0398859), wk = 0.0031847 k( 295) = ( 0.3333333 0.5773503 0.0531813), wk = 0.0031847 k( 296) = ( 0.3333333 0.5773503 0.0664766), wk = 0.0031847 k( 297) = ( 0.3333333 0.5773503 0.0797719), wk = 0.0031847 k( 298) = ( 0.3333333 0.5773503 0.0930672), wk = 0.0031847 k( 299) = ( 0.3333333 0.5773503 0.1063625), wk = 0.0031847 k( 300) = ( 0.3333333 0.5773503 0.1196578), wk = 0.0031847 k( 301) = ( 0.3333333 0.5773503 0.1329532), wk = 0.0031847 k( 302) = ( 0.3333333 0.5773503 0.1462485), wk = 0.0031847 k( 303) = ( 0.3333333 0.5773503 0.1595438), wk = 0.0031847 k( 304) = ( 0.3333333 0.5773503 0.1728391), wk = 0.0031847 k( 305) = ( 0.3333333 0.5773503 0.1861344), wk = 0.0031847 k( 306) = ( 0.3333333 0.5773503 0.1994298), wk = 0.0031847 k( 307) = ( 0.3333333 0.5773503 0.2127251), wk = 0.0031847 k( 308) = ( 0.3333333 0.5773503 0.2260204), wk = 0.0031847 k( 309) = ( 0.3333333 0.5773503 0.2393157), wk = 0.0031847 k( 310) = ( 0.3333333 0.5773503 0.2526110), wk = 0.0031847 k( 311) = ( 0.3333333 0.5773503 0.2659063), wk = 0.0031847 k( 312) = ( 0.3333333 0.5773503 0.2792017), wk = 0.0031847 k( 313) = ( 0.3333333 0.5773503 0.2924970), wk = 0.0031847 k( 314) = ( 0.3333333 0.5773503 0.3057923), wk = 0.0031847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0031847 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0031847 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0031847 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0031847 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0031847 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0031847 k( 8) = ( 0.0813954 0.0000000 -0.0000000), wk = 0.0031847 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0031847 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0031847 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0031847 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0031847 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0031847 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0031847 k( 15) = ( 0.1627907 0.0000000 -0.0000000), wk = 0.0031847 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0031847 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0031847 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0031847 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0031847 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0031847 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0031847 k( 22) = ( 0.2441860 0.0000000 -0.0000000), wk = 0.0031847 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0031847 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0031847 k( 25) = ( 0.2790698 -0.0000000 0.0000000), wk = 0.0031847 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0031847 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0031847 k( 28) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0031847 k( 29) = ( 0.3255814 0.0000000 -0.0000000), wk = 0.0031847 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0031847 k( 31) = ( 0.3488372 0.0000000 -0.0000000), wk = 0.0031847 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0031847 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0031847 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0031847 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0031847 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0031847 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0031847 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0031847 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0031847 k( 40) = ( 0.4534884 0.0000000 -0.0000000), wk = 0.0031847 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0031847 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0031847 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0031847 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031847 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031847 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0031847 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0031847 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0031847 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0031847 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0031847 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0031847 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0031847 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0031847 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0031847 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0031847 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0031847 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0031847 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0031847 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0031847 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0031847 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0031847 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0031847 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0031847 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0031847 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0031847 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0031847 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0031847 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0031847 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0031847 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031847 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031847 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0031847 k( 73) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0031847 k( 74) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0031847 k( 75) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0031847 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0031847 k( 77) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0031847 k( 78) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0031847 k( 79) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0031847 k( 80) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0031847 k( 81) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0031847 k( 82) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0031847 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0031847 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0031847 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0031847 k( 86) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0031847 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0031847 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0031847 k( 89) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0031847 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0031847 k( 91) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0031847 k( 92) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0031847 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0031847 k( 94) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0031847 k( 95) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0031847 k( 96) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031847 k( 97) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0031847 k( 98) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0031847 k( 99) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0031847 k( 100) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0031847 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0031847 k( 102) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0031847 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0031847 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0031847 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0031847 k( 106) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0031847 k( 107) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0031847 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0031847 k( 109) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0031847 k( 110) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0031847 k( 111) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0031847 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0031847 k( 113) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0031847 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0031847 k( 115) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0031847 k( 116) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0031847 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0031847 k( 118) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0031847 k( 119) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0031847 k( 120) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0031847 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 123) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031847 k( 124) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031847 k( 125) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031847 k( 126) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031847 k( 127) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0031847 k( 128) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031847 k( 129) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031847 k( 130) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031847 k( 131) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031847 k( 132) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031847 k( 133) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031847 k( 134) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031847 k( 135) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031847 k( 136) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031847 k( 137) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031847 k( 138) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031847 k( 139) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031847 k( 140) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031847 k( 141) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031847 k( 144) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031847 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 147) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0031847 k( 148) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0031847 k( 149) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0031847 k( 150) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0031847 k( 151) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0031847 k( 152) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0031847 k( 153) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0031847 k( 154) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0031847 k( 155) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0031847 k( 156) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0031847 k( 157) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0031847 k( 158) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0031847 k( 159) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0031847 k( 160) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0031847 k( 161) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0031847 k( 162) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0031847 k( 163) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0031847 k( 164) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0031847 k( 165) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0031847 k( 166) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0031847 k( 167) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0031847 k( 168) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0031847 k( 169) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0031847 k( 170) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0031847 k( 171) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0031847 k( 172) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0031847 k( 173) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0031847 k( 174) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0031847 k( 175) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0031847 k( 176) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0031847 k( 177) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0031847 k( 178) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0031847 k( 179) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0031847 k( 180) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0031847 k( 181) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0031847 k( 182) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0031847 k( 183) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0031847 k( 184) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0031847 k( 185) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0031847 k( 186) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0031847 k( 187) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0031847 k( 188) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0031847 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 191) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0031847 k( 192) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0031847 k( 193) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0031847 k( 194) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0031847 k( 195) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0031847 k( 196) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0031847 k( 197) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0031847 k( 198) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0031847 k( 199) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0031847 k( 200) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0031847 k( 201) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0031847 k( 202) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0031847 k( 203) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0031847 k( 204) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0031847 k( 205) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0031847 k( 206) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0031847 k( 207) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0031847 k( 208) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0031847 k( 209) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0031847 k( 210) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0031847 k( 211) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0031847 k( 212) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0031847 k( 213) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0031847 k( 214) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0031847 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 k( 216) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 k( 217) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0031847 k( 218) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0031847 k( 219) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0031847 k( 220) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0031847 k( 221) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0031847 k( 222) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0031847 k( 223) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0031847 k( 224) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0031847 k( 225) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0031847 k( 226) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0031847 k( 227) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0031847 k( 228) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0031847 k( 229) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0031847 k( 230) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0031847 k( 231) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0031847 k( 232) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0031847 k( 233) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0031847 k( 234) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0031847 k( 235) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0031847 k( 236) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031847 k( 237) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0031847 k( 238) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0031847 k( 239) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0031847 k( 240) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0031847 k( 241) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031847 k( 242) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0031847 k( 243) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0031847 k( 244) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0031847 k( 245) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0031847 k( 246) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0031847 k( 247) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0031847 k( 248) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0031847 k( 249) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0031847 k( 250) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0031847 k( 251) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0031847 k( 252) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0031847 k( 253) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0031847 k( 254) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0031847 k( 255) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0031847 k( 256) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0031847 k( 257) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0031847 k( 258) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0031847 k( 259) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0031847 k( 260) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0031847 k( 261) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0031847 k( 262) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0031847 k( 263) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0031847 k( 264) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0031847 k( 265) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0031847 k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 268) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0031847 k( 269) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0031847 k( 270) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0031847 k( 271) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0031847 k( 272) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0031847 k( 273) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0031847 k( 274) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0031847 k( 275) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0031847 k( 276) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0031847 k( 277) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0031847 k( 278) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0031847 k( 279) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0031847 k( 280) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0031847 k( 281) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0031847 k( 282) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0031847 k( 283) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0031847 k( 284) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0031847 k( 285) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0031847 k( 286) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0031847 k( 287) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0031847 k( 288) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0031847 k( 289) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0031847 k( 290) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031847 k( 291) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031847 k( 292) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0031847 k( 293) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0031847 k( 294) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0031847 k( 295) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0031847 k( 296) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0031847 k( 297) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0031847 k( 298) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0031847 k( 299) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0031847 k( 300) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0031847 k( 301) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0031847 k( 302) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0031847 k( 303) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0031847 k( 304) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0031847 k( 305) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0031847 k( 306) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0031847 k( 307) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0031847 k( 308) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0031847 k( 309) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0031847 k( 310) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0031847 k( 311) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0031847 k( 312) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0031847 k( 313) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0031847 k( 314) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 Dense grid: 46061 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 28543 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 156, 44) NL pseudopotentials 0.16 Mb ( 78, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 962) G-vector shells 0.00 Mb ( 492) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 156, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./GaSb.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.3 secs Computing kpt #: 2 total cpu time spent up to now is 43.5 secs Computing kpt #: 3 total cpu time spent up to now is 44.6 secs Computing kpt #: 4 total cpu time spent up to now is 45.8 secs Computing kpt #: 5 total cpu time spent up to now is 46.8 secs Computing kpt #: 6 total cpu time spent up to now is 47.8 secs Computing kpt #: 7 total cpu time spent up to now is 48.8 secs Computing kpt #: 8 total cpu time spent up to now is 49.9 secs Computing kpt #: 9 total cpu time spent up to now is 50.9 secs Computing kpt #: 10 total cpu time spent up to now is 51.9 secs Computing kpt #: 11 total cpu time spent up to now is 52.9 secs Computing kpt #: 12 total cpu time spent up to now is 53.9 secs Computing kpt #: 13 total cpu time spent up to now is 54.9 secs Computing kpt #: 14 total cpu time spent up to now is 56.0 secs Computing kpt #: 15 total cpu time spent up to now is 57.0 secs Computing kpt #: 16 total cpu time spent up to now is 58.0 secs Computing kpt #: 17 total cpu time spent up to now is 59.1 secs Computing kpt #: 18 total cpu time spent up to now is 60.4 secs Computing kpt #: 19 total cpu time spent up to now is 61.7 secs Computing kpt #: 20 total cpu time spent up to now is 62.9 secs Computing kpt #: 21 total cpu time spent up to now is 64.1 secs Computing kpt #: 22 total cpu time spent up to now is 65.2 secs Computing kpt #: 23 total cpu time spent up to now is 66.3 secs Computing kpt #: 24 total cpu time spent up to now is 67.5 secs Computing kpt #: 25 total cpu time spent up to now is 68.7 secs Computing kpt #: 26 total cpu time spent up to now is 69.8 secs Computing kpt #: 27 total cpu time spent up to now is 70.9 secs Computing kpt #: 28 total cpu time spent up to now is 72.1 secs Computing kpt #: 29 total cpu time spent up to now is 73.3 secs Computing kpt #: 30 total cpu time spent up to now is 74.5 secs Computing kpt #: 31 total cpu time spent up to now is 75.6 secs Computing kpt #: 32 total cpu time spent up to now is 76.8 secs Computing kpt #: 33 total cpu time spent up to now is 78.0 secs Computing kpt #: 34 total cpu time spent up to now is 79.3 secs Computing kpt #: 35 total cpu time spent up to now is 80.4 secs Computing kpt #: 36 total cpu time spent up to now is 81.6 secs Computing kpt #: 37 total cpu time spent up to now is 83.0 secs Computing kpt #: 38 total cpu time spent up to now is 84.2 secs Computing kpt #: 39 total cpu time spent up to now is 85.5 secs Computing kpt #: 40 total cpu time spent up to now is 86.8 secs Computing kpt #: 41 total cpu time spent up to now is 88.0 secs Computing kpt #: 42 total cpu time spent up to now is 89.1 secs Computing kpt #: 43 total cpu time spent up to now is 90.2 secs Computing kpt #: 44 total cpu time spent up to now is 91.3 secs Computing kpt #: 45 total cpu time spent up to now is 92.4 secs Computing kpt #: 46 total cpu time spent up to now is 93.6 secs Computing kpt #: 47 total cpu time spent up to now is 94.7 secs Computing kpt #: 48 total cpu time spent up to now is 95.8 secs Computing kpt #: 49 total cpu time spent up to now is 97.0 secs Computing kpt #: 50 total cpu time spent up to now is 98.2 secs Computing kpt #: 51 total cpu time spent up to now is 99.3 secs Computing kpt #: 52 total cpu time spent up to now is 100.4 secs Computing kpt #: 53 total cpu time spent up to now is 101.5 secs Computing kpt #: 54 total cpu time spent up to now is 102.9 secs Computing kpt #: 55 total cpu time spent up to now is 104.1 secs Computing kpt #: 56 total cpu time spent up to now is 105.2 secs Computing kpt #: 57 total cpu time spent up to now is 106.3 secs Computing kpt #: 58 total cpu time spent up to now is 107.5 secs Computing kpt #: 59 total cpu time spent up to now is 108.7 secs Computing kpt #: 60 total cpu time spent up to now is 110.2 secs Computing kpt #: 61 total cpu time spent up to now is 112.1 secs Computing kpt #: 62 total cpu time spent up to now is 113.6 secs Computing kpt #: 63 total cpu time spent up to now is 115.1 secs Computing kpt #: 64 total cpu time spent up to now is 116.4 secs Computing kpt #: 65 total cpu time spent up to now is 117.6 secs Computing kpt #: 66 total cpu time spent up to now is 119.0 secs Computing kpt #: 67 total cpu time spent up to now is 120.5 secs Computing kpt #: 68 total cpu time spent up to now is 122.1 secs Computing kpt #: 69 total cpu time spent up to now is 123.7 secs Computing kpt #: 70 total cpu time spent up to now is 125.6 secs Computing kpt #: 71 total cpu time spent up to now is 128.1 secs Computing kpt #: 72 total cpu time spent up to now is 130.0 secs Computing kpt #: 73 total cpu time spent up to now is 131.7 secs Computing kpt #: 74 total cpu time spent up to now is 133.3 secs Computing kpt #: 75 total cpu time spent up to now is 134.6 secs Computing kpt #: 76 total cpu time spent up to now is 135.9 secs Computing kpt #: 77 total cpu time spent up to now is 137.2 secs Computing kpt #: 78 total cpu time spent up to now is 138.3 secs Computing kpt #: 79 total cpu time spent up to now is 139.6 secs Computing kpt #: 80 total cpu time spent up to now is 140.7 secs Computing kpt #: 81 total cpu time spent up to now is 141.8 secs Computing kpt #: 82 total cpu time spent up to now is 142.9 secs Computing kpt #: 83 total cpu time spent up to now is 144.0 secs Computing kpt #: 84 total cpu time spent up to now is 145.0 secs Computing kpt #: 85 total cpu time spent up to now is 146.1 secs Computing kpt #: 86 total cpu time spent up to now is 147.2 secs Computing kpt #: 87 total cpu time spent up to now is 148.2 secs Computing kpt #: 88 total cpu time spent up to now is 149.1 secs Computing kpt #: 89 total cpu time spent up to now is 150.1 secs Computing kpt #: 90 total cpu time spent up to now is 151.1 secs Computing kpt #: 91 total cpu time spent up to now is 152.1 secs Computing kpt #: 92 total cpu time spent up to now is 153.1 secs Computing kpt #: 93 total cpu time spent up to now is 154.1 secs Computing kpt #: 94 total cpu time spent up to now is 155.1 secs Computing kpt #: 95 total cpu time spent up to now is 156.1 secs Computing kpt #: 96 total cpu time spent up to now is 157.1 secs Computing kpt #: 97 total cpu time spent up to now is 158.3 secs Computing kpt #: 98 total cpu time spent up to now is 159.5 secs Computing kpt #: 99 total cpu time spent up to now is 160.7 secs Computing kpt #: 100 total cpu time spent up to now is 161.9 secs Computing kpt #: 101 total cpu time spent up to now is 163.1 secs Computing kpt #: 102 total cpu time spent up to now is 164.2 secs Computing kpt #: 103 total cpu time spent up to now is 165.3 secs Computing kpt #: 104 total cpu time spent up to now is 166.5 secs Computing kpt #: 105 total cpu time spent up to now is 167.6 secs Computing kpt #: 106 total cpu time spent up to now is 168.7 secs Computing kpt #: 107 total cpu time spent up to now is 169.7 secs Computing kpt #: 108 total cpu time spent up to now is 170.7 secs Computing kpt #: 109 total cpu time spent up to now is 171.8 secs Computing kpt #: 110 total cpu time spent up to now is 172.8 secs Computing kpt #: 111 total cpu time spent up to now is 173.8 secs Computing kpt #: 112 total cpu time spent up to now is 174.9 secs Computing kpt #: 113 total cpu time spent up to now is 175.9 secs Computing kpt #: 114 total cpu time spent up to now is 177.0 secs Computing kpt #: 115 total cpu time spent up to now is 178.0 secs Computing kpt #: 116 total cpu time spent up to now is 179.1 secs Computing kpt #: 117 total cpu time spent up to now is 180.1 secs Computing kpt #: 118 total cpu time spent up to now is 181.2 secs Computing kpt #: 119 total cpu time spent up to now is 182.3 secs Computing kpt #: 120 total cpu time spent up to now is 183.3 secs Computing kpt #: 121 total cpu time spent up to now is 184.2 secs Computing kpt #: 122 total cpu time spent up to now is 185.2 secs Computing kpt #: 123 total cpu time spent up to now is 186.2 secs Computing kpt #: 124 total cpu time spent up to now is 187.1 secs Computing kpt #: 125 total cpu time spent up to now is 188.2 secs Computing kpt #: 126 total cpu time spent up to now is 189.1 secs Computing kpt #: 127 total cpu time spent up to now is 190.1 secs Computing kpt #: 128 total cpu time spent up to now is 191.0 secs Computing kpt #: 129 total cpu time spent up to now is 191.9 secs Computing kpt #: 130 total cpu time spent up to now is 192.9 secs Computing kpt #: 131 total cpu time spent up to now is 193.9 secs Computing kpt #: 132 total cpu time spent up to now is 194.8 secs Computing kpt #: 133 total cpu time spent up to now is 195.8 secs Computing kpt #: 134 total cpu time spent up to now is 196.7 secs Computing kpt #: 135 total cpu time spent up to now is 197.6 secs Computing kpt #: 136 total cpu time spent up to now is 198.6 secs Computing kpt #: 137 total cpu time spent up to now is 199.5 secs Computing kpt #: 138 total cpu time spent up to now is 200.5 secs Computing kpt #: 139 total cpu time spent up to now is 201.5 secs Computing kpt #: 140 total cpu time spent up to now is 202.5 secs Computing kpt #: 141 total cpu time spent up to now is 203.4 secs Computing kpt #: 142 total cpu time spent up to now is 204.6 secs Computing kpt #: 143 total cpu time spent up to now is 205.7 secs Computing kpt #: 144 total cpu time spent up to now is 206.9 secs Computing kpt #: 145 total cpu time spent up to now is 208.0 secs Computing kpt #: 146 total cpu time spent up to now is 209.1 secs Computing kpt #: 147 total cpu time spent up to now is 210.2 secs Computing kpt #: 148 total cpu time spent up to now is 211.3 secs Computing kpt #: 149 total cpu time spent up to now is 212.8 secs Computing kpt #: 150 total cpu time spent up to now is 214.0 secs Computing kpt #: 151 total cpu time spent up to now is 215.1 secs Computing kpt #: 152 total cpu time spent up to now is 216.2 secs Computing kpt #: 153 total cpu time spent up to now is 217.3 secs Computing kpt #: 154 total cpu time spent up to now is 218.4 secs Computing kpt #: 155 total cpu time spent up to now is 219.6 secs Computing kpt #: 156 total cpu time spent up to now is 220.6 secs Computing kpt #: 157 total cpu time spent up to now is 221.6 secs Computing kpt #: 158 total cpu time spent up to now is 222.6 secs Computing kpt #: 159 total cpu time spent up to now is 223.6 secs Computing kpt #: 160 total cpu time spent up to now is 224.6 secs Computing kpt #: 161 total cpu time spent up to now is 225.6 secs Computing kpt #: 162 total cpu time spent up to now is 226.7 secs Computing kpt #: 163 total cpu time spent up to now is 227.8 secs Computing kpt #: 164 total cpu time spent up to now is 228.9 secs Computing kpt #: 165 total cpu time spent up to now is 230.2 secs Computing kpt #: 166 total cpu time spent up to now is 231.3 secs Computing kpt #: 167 total cpu time spent up to now is 232.3 secs Computing kpt #: 168 total cpu time spent up to now is 233.2 secs Computing kpt #: 169 total cpu time spent up to now is 234.2 secs Computing kpt #: 170 total cpu time spent up to now is 235.2 secs Computing kpt #: 171 total cpu time spent up to now is 236.1 secs Computing kpt #: 172 total cpu time spent up to now is 237.2 secs Computing kpt #: 173 total cpu time spent up to now is 238.1 secs Computing kpt #: 174 total cpu time spent up to now is 239.0 secs Computing kpt #: 175 total cpu time spent up to now is 239.9 secs Computing kpt #: 176 total cpu time spent up to now is 240.8 secs Computing kpt #: 177 total cpu time spent up to now is 241.8 secs Computing kpt #: 178 total cpu time spent up to now is 242.6 secs Computing kpt #: 179 total cpu time spent up to now is 243.5 secs Computing kpt #: 180 total cpu time spent up to now is 244.4 secs Computing kpt #: 181 total cpu time spent up to now is 245.2 secs Computing kpt #: 182 total cpu time spent up to now is 246.1 secs Computing kpt #: 183 total cpu time spent up to now is 247.0 secs Computing kpt #: 184 total cpu time spent up to now is 247.9 secs Computing kpt #: 185 total cpu time spent up to now is 248.8 secs Computing kpt #: 186 total cpu time spent up to now is 249.6 secs Computing kpt #: 187 total cpu time spent up to now is 250.5 secs Computing kpt #: 188 total cpu time spent up to now is 251.3 secs Computing kpt #: 189 total cpu time spent up to now is 252.2 secs Computing kpt #: 190 total cpu time spent up to now is 253.1 secs Computing kpt #: 191 total cpu time spent up to now is 254.1 secs Computing kpt #: 192 total cpu time spent up to now is 255.0 secs Computing kpt #: 193 total cpu time spent up to now is 255.8 secs Computing kpt #: 194 total cpu time spent up to now is 256.7 secs Computing kpt #: 195 total cpu time spent up to now is 257.6 secs Computing kpt #: 196 total cpu time spent up to now is 258.8 secs Computing kpt #: 197 total cpu time spent up to now is 259.8 secs Computing kpt #: 198 total cpu time spent up to now is 260.8 secs Computing kpt #: 199 total cpu time spent up to now is 261.8 secs Computing kpt #: 200 total cpu time spent up to now is 262.7 secs Computing kpt #: 201 total cpu time spent up to now is 263.6 secs Computing kpt #: 202 total cpu time spent up to now is 264.5 secs Computing kpt #: 203 total cpu time spent up to now is 265.7 secs Computing kpt #: 204 total cpu time spent up to now is 266.7 secs Computing kpt #: 205 total cpu time spent up to now is 267.8 secs Computing kpt #: 206 total cpu time spent up to now is 268.9 secs Computing kpt #: 207 total cpu time spent up to now is 270.0 secs Computing kpt #: 208 total cpu time spent up to now is 271.2 secs Computing kpt #: 209 total cpu time spent up to now is 272.4 secs Computing kpt #: 210 total cpu time spent up to now is 273.7 secs Computing kpt #: 211 total cpu time spent up to now is 274.8 secs Computing kpt #: 212 total cpu time spent up to now is 276.0 secs Computing kpt #: 213 total cpu time spent up to now is 277.3 secs Computing kpt #: 214 total cpu time spent up to now is 278.5 secs Computing kpt #: 215 total cpu time spent up to now is 279.6 secs Computing kpt #: 216 total cpu time spent up to now is 280.7 secs Computing kpt #: 217 total cpu time spent up to now is 281.8 secs Computing kpt #: 218 total cpu time spent up to now is 283.0 secs Computing kpt #: 219 total cpu time spent up to now is 284.2 secs Computing kpt #: 220 total cpu time spent up to now is 285.3 secs Computing kpt #: 221 total cpu time spent up to now is 286.5 secs Computing kpt #: 222 total cpu time spent up to now is 287.5 secs Computing kpt #: 223 total cpu time spent up to now is 288.9 secs Computing kpt #: 224 total cpu time spent up to now is 290.1 secs Computing kpt #: 225 total cpu time spent up to now is 291.2 secs Computing kpt #: 226 total cpu time spent up to now is 292.3 secs Computing kpt #: 227 total cpu time spent up to now is 293.4 secs Computing kpt #: 228 total cpu time spent up to now is 294.6 secs Computing kpt #: 229 total cpu time spent up to now is 295.7 secs Computing kpt #: 230 total cpu time spent up to now is 296.9 secs Computing kpt #: 231 total cpu time spent up to now is 297.8 secs Computing kpt #: 232 total cpu time spent up to now is 298.8 secs Computing kpt #: 233 total cpu time spent up to now is 299.8 secs Computing kpt #: 234 total cpu time spent up to now is 300.8 secs Computing kpt #: 235 total cpu time spent up to now is 301.8 secs Computing kpt #: 236 total cpu time spent up to now is 302.9 secs Computing kpt #: 237 total cpu time spent up to now is 303.9 secs Computing kpt #: 238 total cpu time spent up to now is 304.8 secs Computing kpt #: 239 total cpu time spent up to now is 305.8 secs Computing kpt #: 240 total cpu time spent up to now is 306.8 secs Computing kpt #: 241 total cpu time spent up to now is 307.9 secs Computing kpt #: 242 total cpu time spent up to now is 308.9 secs Computing kpt #: 243 total cpu time spent up to now is 309.9 secs Computing kpt #: 244 total cpu time spent up to now is 310.9 secs Computing kpt #: 245 total cpu time spent up to now is 311.8 secs Computing kpt #: 246 total cpu time spent up to now is 312.8 secs Computing kpt #: 247 total cpu time spent up to now is 313.8 secs Computing kpt #: 248 total cpu time spent up to now is 314.8 secs Computing kpt #: 249 total cpu time spent up to now is 315.7 secs Computing kpt #: 250 total cpu time spent up to now is 316.7 secs Computing kpt #: 251 total cpu time spent up to now is 317.7 secs Computing kpt #: 252 total cpu time spent up to now is 318.7 secs Computing kpt #: 253 total cpu time spent up to now is 319.8 secs Computing kpt #: 254 total cpu time spent up to now is 321.0 secs Computing kpt #: 255 total cpu time spent up to now is 322.1 secs Computing kpt #: 256 total cpu time spent up to now is 323.1 secs Computing kpt #: 257 total cpu time spent up to now is 324.1 secs Computing kpt #: 258 total cpu time spent up to now is 325.2 secs Computing kpt #: 259 total cpu time spent up to now is 326.3 secs Computing kpt #: 260 total cpu time spent up to now is 327.5 secs Computing kpt #: 261 total cpu time spent up to now is 328.6 secs Computing kpt #: 262 total cpu time spent up to now is 329.8 secs Computing kpt #: 263 total cpu time spent up to now is 331.1 secs Computing kpt #: 264 total cpu time spent up to now is 332.3 secs Computing kpt #: 265 total cpu time spent up to now is 333.4 secs Computing kpt #: 266 total cpu time spent up to now is 334.6 secs Computing kpt #: 267 total cpu time spent up to now is 335.4 secs Computing kpt #: 268 total cpu time spent up to now is 336.5 secs Computing kpt #: 269 total cpu time spent up to now is 337.5 secs Computing kpt #: 270 total cpu time spent up to now is 338.3 secs Computing kpt #: 271 total cpu time spent up to now is 339.3 secs Computing kpt #: 272 total cpu time spent up to now is 340.2 secs Computing kpt #: 273 total cpu time spent up to now is 341.0 secs Computing kpt #: 274 total cpu time spent up to now is 341.9 secs Computing kpt #: 275 total cpu time spent up to now is 342.9 secs Computing kpt #: 276 total cpu time spent up to now is 343.8 secs Computing kpt #: 277 total cpu time spent up to now is 344.8 secs Computing kpt #: 278 total cpu time spent up to now is 345.7 secs Computing kpt #: 279 total cpu time spent up to now is 346.6 secs Computing kpt #: 280 total cpu time spent up to now is 347.8 secs Computing kpt #: 281 total cpu time spent up to now is 349.0 secs Computing kpt #: 282 total cpu time spent up to now is 350.1 secs Computing kpt #: 283 total cpu time spent up to now is 351.1 secs Computing kpt #: 284 total cpu time spent up to now is 352.2 secs Computing kpt #: 285 total cpu time spent up to now is 353.3 secs Computing kpt #: 286 total cpu time spent up to now is 354.4 secs Computing kpt #: 287 total cpu time spent up to now is 355.5 secs Computing kpt #: 288 total cpu time spent up to now is 356.6 secs Computing kpt #: 289 total cpu time spent up to now is 357.7 secs Computing kpt #: 290 total cpu time spent up to now is 358.8 secs Computing kpt #: 291 total cpu time spent up to now is 361.1 secs Computing kpt #: 292 total cpu time spent up to now is 363.0 secs Computing kpt #: 293 total cpu time spent up to now is 364.5 secs Computing kpt #: 294 total cpu time spent up to now is 366.4 secs Computing kpt #: 295 total cpu time spent up to now is 367.7 secs Computing kpt #: 296 total cpu time spent up to now is 369.6 secs Computing kpt #: 297 total cpu time spent up to now is 371.2 secs Computing kpt #: 298 total cpu time spent up to now is 372.4 secs Computing kpt #: 299 total cpu time spent up to now is 373.9 secs Computing kpt #: 300 total cpu time spent up to now is 375.4 secs Computing kpt #: 301 total cpu time spent up to now is 376.6 secs Computing kpt #: 302 total cpu time spent up to now is 378.1 secs Computing kpt #: 303 total cpu time spent up to now is 379.5 secs Computing kpt #: 304 total cpu time spent up to now is 380.8 secs Computing kpt #: 305 total cpu time spent up to now is 382.3 secs Computing kpt #: 306 total cpu time spent up to now is 383.8 secs Computing kpt #: 307 total cpu time spent up to now is 385.7 secs Computing kpt #: 308 total cpu time spent up to now is 387.5 secs Computing kpt #: 309 total cpu time spent up to now is 389.1 secs Computing kpt #: 310 total cpu time spent up to now is 390.7 secs Computing kpt #: 311 total cpu time spent up to now is 391.9 secs Computing kpt #: 312 total cpu time spent up to now is 393.1 secs Computing kpt #: 313 total cpu time spent up to now is 394.2 secs Computing kpt #: 314 total cpu time spent up to now is 395.4 secs ethr = 2.78E-11, avg # of iterations = 23.4 total cpu time spent up to now is 395.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3633 PWs) bands (ev): -8.6386 -8.6386 -8.6320 -8.6320 -8.6303 -8.6303 -8.6261 -8.6261 -8.2013 -8.2013 -8.1984 -8.1984 -8.1701 -8.1701 -8.1608 -8.1608 -8.1591 -8.1591 -8.1458 -8.1458 -5.2012 -5.2012 -3.3849 -3.3849 0.0320 0.0320 5.1961 5.1961 5.6056 5.6056 6.2672 6.2672 6.9715 6.9715 7.0078 7.0078 7.0860 7.0860 7.3835 7.3835 9.2153 9.2153 9.3483 9.3483 k = 0.0116 0.0067-0.0000 ( 3619 PWs) bands (ev): -8.6395 -8.6377 -8.6320 -8.6319 -8.6304 -8.6301 -8.6261 -8.6261 -8.2027 -8.1999 -8.1985 -8.1983 -8.1705 -8.1697 -8.1609 -8.1607 -8.1591 -8.1591 -8.1458 -8.1458 -5.1999 -5.1999 -3.3838 -3.3835 0.0308 0.0342 5.1729 5.1983 5.5913 5.5921 6.2519 6.2668 6.9335 6.9705 7.0154 7.0385 7.0467 7.0563 7.4313 7.4394 9.2160 9.2184 9.3493 9.3493 k = 0.0233 0.0134-0.0000 ( 3611 PWs) bands (ev): -8.6403 -8.6370 -8.6320 -8.6320 -8.6305 -8.6300 -8.6260 -8.6259 -8.2041 -8.1985 -8.1984 -8.1982 -8.1709 -8.1692 -8.1609 -8.1606 -8.1592 -8.1592 -8.1458 -8.1457 -5.1959 -5.1958 -3.3804 -3.3797 0.0306 0.0375 5.1276 5.1793 5.5515 5.5568 6.2209 6.2479 6.8483 6.9058 7.0037 7.0205 7.0620 7.1057 7.5400 7.5438 9.2198 9.2249 9.3530 9.3531 k = 0.0349 0.0201-0.0000 ( 3607 PWs) bands (ev): -8.6413 -8.6364 -8.6320 -8.6320 -8.6306 -8.6298 -8.6258 -8.6257 -8.2055 -8.1986 -8.1981 -8.1969 -8.1713 -8.1688 -8.1609 -8.1605 -8.1592 -8.1592 -8.1458 -8.1458 -5.1892 -5.1891 -3.3745 -3.3735 0.0313 0.0417 5.0590 5.1366 5.4955 5.5094 6.1718 6.2053 6.7456 6.7982 6.9864 6.9959 7.1382 7.1977 7.6577 7.6639 9.2257 9.2337 9.3610 9.3614 k = 0.0465 0.0269-0.0000 ( 3603 PWs) bands (ev): -8.6423 -8.6358 -8.6320 -8.6320 -8.6307 -8.6296 -8.6257 -8.6254 -8.2069 -8.1987 -8.1980 -8.1955 -8.1717 -8.1683 -8.1609 -8.1604 -8.1593 -8.1592 -8.1458 -8.1458 -5.1798 -5.1798 -3.3662 -3.3649 0.0330 0.0469 4.9680 5.0678 5.4347 5.4577 6.1015 6.1330 6.6524 6.6908 6.9680 6.9716 7.2359 7.3064 7.7697 7.7884 9.2325 9.2436 9.3755 9.3767 k = 0.0581 0.0336-0.0000 ( 3599 PWs) bands (ev): -8.6433 -8.6354 -8.6320 -8.6320 -8.6308 -8.6294 -8.6255 -8.6249 -8.2083 -8.1988 -8.1980 -8.1941 -8.1720 -8.1679 -8.1609 -8.1604 -8.1594 -8.1592 -8.1458 -8.1458 -5.1677 -5.1677 -3.3555 -3.3539 0.0355 0.0530 4.8576 4.9736 5.3767 5.4054 6.0077 6.0294 6.5781 6.5948 6.9442 6.9451 7.3465 7.4233 7.8763 7.9083 9.2398 9.2546 9.3983 9.4007 k = 0.0698 0.0403-0.0000 ( 3595 PWs) bands (ev): -8.6443 -8.6352 -8.6321 -8.6320 -8.6310 -8.6292 -8.6253 -8.6244 -8.2097 -8.1990 -8.1979 -8.1927 -8.1724 -8.1674 -8.1609 -8.1604 -8.1595 -8.1591 -8.1459 -8.1459 -5.1531 -5.1530 -3.3425 -3.3406 0.0387 0.0600 4.7325 4.8588 5.3225 5.3533 5.8915 5.8999 6.5123 6.5204 6.9128 6.9172 7.4624 7.5408 7.9770 8.0212 9.2492 9.2680 9.4298 9.4336 k = 0.0814 0.0470-0.0000 ( 3591 PWs) bands (ev): -8.6453 -8.6350 -8.6321 -8.6321 -8.6311 -8.6290 -8.6251 -8.6237 -8.2110 -8.1991 -8.1978 -8.1914 -8.1727 -8.1670 -8.1609 -8.1604 -8.1596 -8.1589 -8.1460 -8.1459 -5.1357 -5.1357 -3.3271 -3.3249 0.0426 0.0677 4.5971 4.7298 5.2705 5.3003 5.7531 5.7571 6.4410 6.4729 6.8773 6.8845 7.5776 7.6518 8.0729 8.1260 9.2632 9.2866 9.4693 9.4747 k = 0.0930 0.0537-0.0000 ( 3575 PWs) bands (ev): -8.6463 -8.6349 -8.6322 -8.6321 -8.6312 -8.6288 -8.6248 -8.6230 -8.2122 -8.1993 -8.1977 -8.1900 -8.1729 -8.1666 -8.1608 -8.1604 -8.1597 -8.1588 -8.1460 -8.1460 -5.1158 -5.1157 -3.3094 -3.3070 0.0468 0.0759 4.4551 4.5920 5.2182 5.2453 5.5965 5.6099 6.3771 6.4301 6.8376 6.8473 7.6863 7.7495 8.1662 8.2228 9.2852 9.3136 9.5157 9.5226 k = 0.1047 0.0604-0.0000 ( 3575 PWs) bands (ev): -8.6473 -8.6349 -8.6322 -8.6321 -8.6313 -8.6285 -8.6246 -8.6222 -8.2135 -8.1995 -8.1976 -8.1887 -8.1732 -8.1662 -8.1607 -8.1605 -8.1599 -8.1586 -8.1461 -8.1460 -5.0932 -5.0931 -3.2894 -3.2868 0.0514 0.0847 4.3093 4.4492 5.1637 5.1855 5.4367 5.4552 6.3170 6.3883 6.7941 6.8060 7.7835 7.8290 8.2589 8.3122 9.3185 9.3520 9.5678 9.5760 k = 0.1163 0.0671-0.0000 ( 3573 PWs) bands (ev): -8.6482 -8.6350 -8.6323 -8.6322 -8.6315 -8.6283 -8.6243 -8.6214 -8.2147 -8.1997 -8.1975 -8.1875 -8.1734 -8.1659 -8.1607 -8.1605 -8.1600 -8.1583 -8.1462 -8.1461 -5.0681 -5.0679 -3.2671 -3.2643 0.0561 0.0937 4.1616 4.3041 5.1034 5.1139 5.2834 5.2991 6.2585 6.3455 6.7469 6.7609 7.8654 7.8881 8.3503 8.3947 9.3656 9.4045 9.6245 9.6337 k = 0.1279 0.0738-0.0000 ( 3573 PWs) bands (ev): -8.6492 -8.6351 -8.6323 -8.6322 -8.6316 -8.6281 -8.6241 -8.6206 -8.2159 -8.1999 -8.1974 -8.1863 -8.1736 -8.1656 -8.1607 -8.1605 -8.1601 -8.1581 -8.1464 -8.1462 -5.0404 -5.0402 -3.2426 -3.2397 0.0607 0.1027 4.0138 4.1587 5.0093 5.0254 5.1556 5.1595 6.2000 6.3006 6.6965 6.7125 7.9282 7.9295 8.4377 8.4710 9.4285 9.4729 9.6847 9.6945 k = 0.1395 0.0806-0.0000 ( 3577 PWs) bands (ev): -8.6501 -8.6353 -8.6325 -8.6323 -8.6317 -8.6279 -8.6238 -8.6198 -8.2170 -8.2002 -8.1973 -8.1851 -8.1738 -8.1654 -8.1609 -8.1605 -8.1600 -8.1579 -8.1465 -8.1463 -5.0101 -5.0099 -3.2161 -3.2130 0.0648 0.1116 3.8672 4.0145 4.8627 4.9025 5.0535 5.0753 6.1405 6.2530 6.6433 6.6612 7.9524 7.9756 8.5178 8.5406 9.5074 9.5579 9.7473 9.7573 k = 0.1512 0.0873-0.0000 ( 3573 PWs) bands (ev): -8.6510 -8.6355 -8.6325 -8.6323 -8.6318 -8.6277 -8.6235 -8.6190 -8.2181 -8.2005 -8.1972 -8.1840 -8.1740 -8.1653 -8.1610 -8.1604 -8.1599 -8.1576 -8.1467 -8.1463 -4.9773 -4.9771 -3.1874 -3.1843 0.0683 0.1199 3.7227 3.8725 4.6974 4.7456 4.9832 5.0086 6.0794 6.2023 6.5877 6.6076 7.9640 8.0052 8.5880 8.6030 9.6013 9.6584 9.8112 9.8208 k = 0.1628 0.0940-0.0000 ( 3577 PWs) bands (ev): -8.6518 -8.6359 -8.6326 -8.6324 -8.6319 -8.6275 -8.6232 -8.6182 -8.2192 -8.2009 -8.1971 -8.1830 -8.1741 -8.1652 -8.1612 -8.1603 -8.1597 -8.1573 -8.1469 -8.1464 -4.9421 -4.9418 -3.1567 -3.1536 0.0707 0.1275 3.5815 3.7338 4.5263 4.5785 4.9219 4.9472 6.0164 6.1484 6.5302 6.5521 7.9661 8.0208 8.6474 8.6576 9.7075 9.7718 9.8752 9.8838 k = 0.1744 0.1007-0.0000 ( 3577 PWs) bands (ev): -8.6526 -8.6362 -8.6328 -8.6325 -8.6319 -8.6273 -8.6230 -8.6175 -8.2201 -8.2012 -8.1969 -8.1820 -8.1743 -8.1652 -8.1614 -8.1602 -8.1596 -8.1571 -8.1470 -8.1464 -4.9045 -4.9040 -3.1242 -3.1210 0.0718 0.1338 3.4443 3.5993 4.3535 4.4085 4.8633 4.8879 5.9514 6.0912 6.4715 6.4953 7.9611 8.0253 8.6966 8.7045 9.8219 9.8942 9.9382 9.9447 k = 0.1860 0.1074-0.0000 ( 3575 PWs) bands (ev): -8.6534 -8.6366 -8.6328 -8.6325 -8.6319 -8.6271 -8.6227 -8.6168 -8.2210 -8.2016 -8.1967 -8.1811 -8.1744 -8.1653 -8.1616 -8.1599 -8.1593 -8.1568 -8.1472 -8.1465 -4.8644 -4.8639 -3.0898 -3.0867 0.0712 0.1386 3.3121 3.4698 4.1805 4.2377 4.8060 4.8298 5.8843 6.0306 6.4120 6.4376 7.9507 8.0212 8.7366 8.7439 9.9391 9.9991 10.0017 10.0210 k = 0.1977 0.1141-0.0000 ( 3583 PWs) bands (ev): -8.6541 -8.6371 -8.6330 -8.6326 -8.6319 -8.6270 -8.6224 -8.6161 -8.2219 -8.2021 -8.1966 -8.1803 -8.1745 -8.1655 -8.1618 -8.1597 -8.1591 -8.1566 -8.1474 -8.1465 -4.8220 -4.8214 -3.0537 -3.0508 0.0685 0.1413 3.1856 3.3460 4.0080 4.0673 4.7496 4.7727 5.8151 5.9668 6.3524 6.3795 7.9364 8.0104 8.7685 8.7763 10.0459 10.0516 10.0616 10.1454 k = 0.2093 0.1208-0.0000 ( 3583 PWs) bands (ev): -8.6548 -8.6377 -8.6331 -8.6326 -8.6318 -8.6268 -8.6221 -8.6155 -8.2226 -8.2025 -8.1964 -8.1796 -8.1745 -8.1656 -8.1619 -8.1595 -8.1589 -8.1563 -8.1475 -8.1465 -4.7773 -4.7766 -3.0162 -3.0133 0.0632 0.1416 3.0656 3.2286 3.8366 3.8979 4.6940 4.7165 5.7440 5.8997 6.2931 6.3214 7.9192 7.9946 8.7935 8.8022 10.0904 10.1001 10.1501 10.2280 k = 0.2209 0.1276-0.0000 ( 3587 PWs) bands (ev): -8.6554 -8.6382 -8.6331 -8.6327 -8.6318 -8.6267 -8.6218 -8.6149 -8.2234 -8.2030 -8.1962 -8.1789 -8.1746 -8.1658 -8.1620 -8.1592 -8.1586 -8.1561 -8.1477 -8.1465 -4.7304 -4.7296 -2.9772 -2.9746 0.0551 0.1388 2.9531 3.1182 3.6666 3.7300 4.6393 4.6614 5.6709 5.8295 6.2346 6.2637 7.8997 7.9751 8.8123 8.8222 10.1148 10.1355 10.2093 10.2559 k = 0.2326 0.1343-0.0000 ( 3591 PWs) bands (ev): -8.6560 -8.6388 -8.6332 -8.6328 -8.6317 -8.6265 -8.6215 -8.6144 -8.2240 -8.2036 -8.1959 -8.1784 -8.1746 -8.1661 -8.1621 -8.1589 -8.1583 -8.1559 -8.1478 -8.1464 -4.6813 -4.6804 -2.9370 -2.9348 0.0436 0.1326 2.8487 3.0153 3.4983 3.5640 4.5858 4.6075 5.5960 5.7565 6.1774 6.2069 7.8787 7.9528 8.8257 8.8366 10.1280 10.1577 10.2524 10.2884 k = 0.2442 0.1410-0.0000 ( 3587 PWs) bands (ev): -8.6566 -8.6395 -8.6333 -8.6328 -8.6316 -8.6264 -8.6212 -8.6138 -8.2246 -8.2041 -8.1956 -8.1780 -8.1746 -8.1663 -8.1621 -8.1587 -8.1580 -8.1556 -8.1479 -8.1463 -4.6301 -4.6291 -2.8959 -2.8940 0.0286 0.1225 2.7532 2.9203 3.3320 3.4005 4.5335 4.5549 5.5197 5.6808 6.1217 6.1511 7.8564 7.9285 8.8343 8.8459 10.1361 10.1737 10.2929 10.3238 k = 0.2558 0.1477-0.0000 ( 3591 PWs) bands (ev): -8.6571 -8.6401 -8.6333 -8.6328 -8.6315 -8.6263 -8.6209 -8.6134 -8.2251 -8.2047 -8.1954 -8.1778 -8.1746 -8.1666 -8.1621 -8.1584 -8.1576 -8.1555 -8.1481 -8.1463 -4.5769 -4.5758 -2.8541 -2.8526 0.0099 0.1081 2.6671 2.8332 3.1679 3.2401 4.4825 4.5038 5.4420 5.6028 6.0679 6.0968 7.8333 7.9027 8.8385 8.8505 10.1435 10.1887 10.3309 10.3583 k = 0.2674 0.1544-0.0000 ( 3591 PWs) bands (ev): -8.6575 -8.6409 -8.6333 -8.6328 -8.6314 -8.6262 -8.6206 -8.6131 -8.2255 -8.2053 -8.1951 -8.1776 -8.1745 -8.1669 -8.1620 -8.1581 -8.1573 -8.1553 -8.1482 -8.1462 -4.5218 -4.5205 -2.8119 -2.8108 -0.0126 0.0894 2.5911 2.7535 3.0063 3.0842 4.4332 4.4543 5.3632 5.5229 6.0160 6.0440 7.8097 7.8759 8.8387 8.8508 10.1520 10.2048 10.3655 10.3901 k = 0.2791 0.1611-0.0000 ( 3583 PWs) bands (ev): -8.6579 -8.6416 -8.6333 -8.6328 -8.6313 -8.6262 -8.6203 -8.6127 -8.2258 -8.2059 -8.1948 -8.1776 -8.1743 -8.1671 -8.1618 -8.1579 -8.1569 -8.1551 -8.1483 -8.1460 -4.4649 -4.4635 -2.7696 -2.7691 -0.0389 0.0662 2.5253 2.6789 2.8476 2.9351 4.3854 4.4066 5.2837 5.4413 5.9662 5.9931 7.7857 7.8485 8.8355 8.8475 10.1622 10.2226 10.3964 10.4182 k = 0.2907 0.1678-0.0000 ( 3579 PWs) bands (ev): -8.6582 -8.6423 -8.6333 -8.6329 -8.6312 -8.6261 -8.6200 -8.6124 -8.2261 -8.2066 -8.1944 -8.1777 -8.1741 -8.1674 -8.1616 -8.1576 -8.1565 -8.1550 -8.1484 -8.1459 -4.4063 -4.4048 -2.7277 -2.7277 -0.0686 0.0388 2.4697 2.6034 2.6920 2.7995 4.3395 4.3607 5.2037 5.3586 5.9187 5.9442 7.7616 7.8208 8.8293 8.8410 10.1741 10.2414 10.4237 10.4423 k = 0.3023 0.1745-0.0000 ( 3577 PWs) bands (ev): -8.6585 -8.6430 -8.6333 -8.6329 -8.6310 -8.6261 -8.6197 -8.6122 -8.2263 -8.2073 -8.1941 -8.1779 -8.1740 -8.1676 -8.1614 -8.1574 -8.1562 -8.1549 -8.1484 -8.1458 -4.3462 -4.3446 -2.6872 -2.6865 -0.1012 0.0076 2.4229 2.5127 2.5413 2.6915 4.2955 4.3167 5.1236 5.2752 5.8734 5.8975 7.7375 7.7930 8.8207 8.8318 10.1870 10.2600 10.4476 10.4625 k = 0.3140 0.1813-0.0000 ( 3583 PWs) bands (ev): -8.6587 -8.6438 -8.6334 -8.6329 -8.6309 -8.6261 -8.6194 -8.6120 -8.2264 -8.2080 -8.1937 -8.1781 -8.1738 -8.1679 -8.1612 -8.1572 -8.1558 -8.1548 -8.1485 -8.1456 -4.2848 -4.2830 -2.6480 -2.6466 -0.1360 -0.0268 2.3654 2.3969 2.4149 2.6212 4.2534 4.2749 5.0437 5.1914 5.8305 5.8529 7.7137 7.7655 8.8100 8.8205 10.2001 10.2768 10.4679 10.4787 k = 0.3256 0.1880-0.0000 ( 3578 PWs) bands (ev): -8.6589 -8.6446 -8.6334 -8.6329 -8.6307 -8.6260 -8.6190 -8.6118 -8.2265 -8.2088 -8.1933 -8.1784 -8.1736 -8.1682 -8.1609 -8.1569 -8.1554 -8.1547 -8.1485 -8.1455 -4.2222 -4.2203 -2.6107 -2.6086 -0.1722 -0.0634 2.2351 2.2662 2.3747 2.5780 4.2134 4.2351 4.9644 5.1078 5.7899 5.8108 7.6904 7.7384 8.7979 8.8077 10.2122 10.2899 10.4841 10.4911 k = 0.3372 0.1947-0.0000 ( 3578 PWs) bands (ev): -8.6590 -8.6454 -8.6333 -8.6329 -8.6305 -8.6261 -8.6187 -8.6118 -8.2265 -8.2095 -8.1929 -8.1788 -8.1734 -8.1684 -8.1606 -8.1567 -8.1551 -8.1547 -8.1485 -8.1454 -4.1586 -4.1567 -2.5758 -2.5731 -0.2087 -0.1012 2.0947 2.1314 2.3577 2.5507 4.1756 4.1976 4.8862 5.0246 5.7518 5.7710 7.6677 7.7120 8.7846 8.7937 10.2225 10.2982 10.4957 10.4999 k = 0.3488 0.2014-0.0000 ( 3574 PWs) bands (ev): -8.6591 -8.6462 -8.6333 -8.6329 -8.6303 -8.6261 -8.6184 -8.6117 -8.2264 -8.2103 -8.1924 -8.1792 -8.1733 -8.1687 -8.1603 -8.1565 -8.1548 -8.1546 -8.1484 -8.1453 -4.0945 -4.0924 -2.5441 -2.5408 -0.2443 -0.1388 1.9571 1.9974 2.3504 2.5341 4.1401 4.1624 4.8095 4.9425 5.7162 5.7337 7.6458 7.6864 8.7707 8.7790 10.2300 10.3011 10.5029 10.5056 k = 0.3605 0.2081-0.0000 ( 3566 PWs) bands (ev): -8.6591 -8.6470 -8.6333 -8.6329 -8.6301 -8.6261 -8.6180 -8.6117 -8.2263 -8.2111 -8.1920 -8.1796 -8.1731 -8.1689 -8.1600 -8.1563 -8.1546 -8.1546 -8.1483 -8.1451 -4.0300 -4.0279 -2.5161 -2.5122 -0.2778 -0.1752 1.8237 1.8661 2.3510 2.5258 4.1069 4.1295 4.7349 4.8618 5.6831 5.6990 7.6249 7.6619 8.7565 8.7641 10.2345 10.2992 10.5066 10.5088 k = 0.3721 0.2148-0.0000 ( 3566 PWs) bands (ev): -8.6590 -8.6478 -8.6333 -8.6330 -8.6299 -8.6262 -8.6177 -8.6118 -8.2261 -8.2119 -8.1915 -8.1800 -8.1729 -8.1692 -8.1597 -8.1561 -8.1546 -8.1543 -8.1482 -8.1450 -3.9655 -3.9634 -2.4924 -2.4881 -0.3081 -0.2089 1.6953 1.7387 2.3582 2.5239 4.0761 4.0990 4.6628 4.7830 5.6525 5.6669 7.6051 7.6386 8.7424 8.7493 10.2361 10.2934 10.5081 10.5101 k = 0.3837 0.2215-0.0000 ( 3568 PWs) bands (ev): -8.6590 -8.6486 -8.6332 -8.6330 -8.6297 -8.6263 -8.6173 -8.6118 -8.2258 -8.2127 -8.1910 -8.1805 -8.1728 -8.1694 -8.1594 -8.1560 -8.1546 -8.1542 -8.1480 -8.1450 -3.9016 -3.8994 -2.4736 -2.4690 -0.3339 -0.2390 1.5723 1.6161 2.3711 2.5272 4.0478 4.0709 4.5939 4.7067 5.6245 5.6374 7.5866 7.6167 8.7287 8.7348 10.2352 10.2850 10.5082 10.5101 k = 0.3953 0.2283-0.0000 ( 3572 PWs) bands (ev): -8.6588 -8.6494 -8.6332 -8.6330 -8.6295 -8.6264 -8.6170 -8.6119 -8.2255 -8.2136 -8.1906 -8.1810 -8.1726 -8.1697 -8.1591 -8.1559 -8.1547 -8.1541 -8.1478 -8.1449 -3.8387 -3.8365 -2.4600 -2.4553 -0.3544 -0.2644 1.4557 1.4991 2.3885 2.5343 4.0220 4.0452 4.5287 4.6335 5.5991 5.6105 7.5695 7.5963 8.7156 8.7210 10.2324 10.2751 10.5075 10.5093 k = 0.4070 0.2350-0.0000 ( 3568 PWs) bands (ev): -8.6586 -8.6502 -8.6332 -8.6330 -8.6293 -8.6265 -8.6167 -8.6120 -8.2251 -8.2144 -8.1901 -8.1815 -8.1725 -8.1699 -8.1588 -8.1557 -8.1547 -8.1539 -8.1475 -8.1449 -3.7776 -3.7755 -2.4517 -2.4470 -0.3689 -0.2847 1.3460 1.3885 2.4095 2.5440 3.9989 4.0220 4.4681 4.5640 5.5764 5.5864 7.5540 7.5776 8.7034 8.7081 10.2283 10.2645 10.5063 10.5079 k = 0.4186 0.2417-0.0000 ( 3570 PWs) bands (ev): -8.6584 -8.6509 -8.6332 -8.6330 -8.6291 -8.6266 -8.6163 -8.6122 -8.2247 -8.2152 -8.1896 -8.1820 -8.1723 -8.1701 -8.1584 -8.1557 -8.1547 -8.1539 -8.1473 -8.1449 -3.7191 -3.7170 -2.4485 -2.4441 -0.3772 -0.2997 1.2444 1.2852 2.4329 2.5550 3.9785 4.0012 4.4128 4.4988 5.5564 5.5650 7.5401 7.5606 8.6922 8.6963 10.2237 10.2539 10.5048 10.5062 k = 0.4302 0.2484-0.0000 ( 3568 PWs) bands (ev): -8.6581 -8.6517 -8.6332 -8.6330 -8.6289 -8.6267 -8.6160 -8.6124 -8.2243 -8.2160 -8.1890 -8.1826 -8.1722 -8.1703 -8.1581 -8.1556 -8.1547 -8.1539 -8.1470 -8.1449 -3.6641 -3.6621 -2.4498 -2.4458 -0.3795 -0.3096 1.1521 1.1902 2.4578 2.5663 3.9611 3.9828 4.3635 4.4389 5.5390 5.5463 7.5281 7.5455 8.6822 8.6857 10.2190 10.2438 10.5032 10.5043 k = 0.4419 0.2551-0.0000 ( 3572 PWs) bands (ev): -8.6578 -8.6524 -8.6332 -8.6330 -8.6287 -8.6269 -8.6157 -8.6126 -8.2238 -8.2168 -8.1885 -8.1831 -8.1721 -8.1705 -8.1578 -8.1557 -8.1547 -8.1539 -8.1468 -8.1449 -3.6138 -3.6120 -2.4548 -2.4514 -0.3765 -0.3153 1.0703 1.1049 2.4830 2.5765 3.9466 3.9668 4.3209 4.3850 5.5244 5.5304 7.5180 7.5324 8.6736 8.6765 10.2146 10.2346 10.5016 10.5026 k = 0.4535 0.2618-0.0000 ( 3572 PWs) bands (ev): -8.6574 -8.6531 -8.6332 -8.6330 -8.6285 -8.6270 -8.6153 -8.6129 -8.2232 -8.2176 -8.1880 -8.1836 -8.1719 -8.1707 -8.1575 -8.1557 -8.1547 -8.1539 -8.1465 -8.1450 -3.5695 -3.5680 -2.4622 -2.4593 -0.3692 -0.3180 1.0008 1.0307 2.5075 2.5847 3.9353 3.9532 4.2860 4.3379 5.5125 5.5172 7.5098 7.5213 8.6665 8.6688 10.2109 10.2264 10.5001 10.5009 k = 0.4651 0.2685-0.0000 ( 3568 PWs) bands (ev): -8.6570 -8.6537 -8.6332 -8.6330 -8.6283 -8.6272 -8.6150 -8.6131 -8.2226 -8.2184 -8.1874 -8.1842 -8.1718 -8.1709 -8.1572 -8.1558 -8.1546 -8.1540 -8.1463 -8.1451 -3.5328 -3.5316 -2.4703 -2.4682 -0.3592 -0.3192 0.9453 0.9693 2.5303 2.5897 3.9272 3.9418 4.2594 4.2987 5.5033 5.5069 7.5037 7.5122 8.6610 8.6627 10.2082 10.2196 10.4989 10.4995 k = 0.4767 0.2752-0.0000 ( 3558 PWs) bands (ev): -8.6565 -8.6543 -8.6331 -8.6330 -8.6281 -8.6273 -8.6146 -8.6134 -8.2220 -8.2191 -8.1869 -8.1847 -8.1716 -8.1710 -8.1569 -8.1560 -8.1544 -8.1540 -8.1460 -8.1452 -3.5050 -3.5042 -2.4776 -2.4762 -0.3481 -0.3206 0.9054 0.9223 2.5505 2.5909 3.9223 3.9328 4.2418 4.2681 5.4969 5.4993 7.4997 7.5054 8.6570 8.6582 10.2066 10.2141 10.4980 10.4984 k = 0.4884 0.2820-0.0000 ( 3558 PWs) bands (ev): -8.6560 -8.6549 -8.6331 -8.6331 -8.6279 -8.6275 -8.6143 -8.6137 -8.2213 -8.2199 -8.1863 -8.1852 -8.1715 -8.1712 -8.1566 -8.1562 -8.1543 -8.1541 -8.1458 -8.1454 -3.4877 -3.4872 -2.4825 -2.4818 -0.3377 -0.3236 0.8827 0.8914 2.5671 2.5876 3.9207 3.9261 4.2336 4.2468 5.4933 5.4945 7.4978 7.5007 8.6547 8.6553 10.2064 10.2101 10.4975 10.4977 k = 0.5000 0.2887-0.0000 ( 3558 PWs) bands (ev): -8.6555 -8.6555 -8.6331 -8.6331 -8.6277 -8.6277 -8.6140 -8.6140 -8.2206 -8.2206 -8.1858 -8.1858 -8.1713 -8.1713 -8.1564 -8.1564 -8.1542 -8.1542 -8.1456 -8.1456 -3.4816 -3.4816 -2.4841 -2.4841 -0.3293 -0.3293 0.8780 0.8780 2.5796 2.5796 3.9220 3.9220 4.2353 4.2353 5.4925 5.4925 7.4982 7.4982 8.6542 8.6542 10.2075 10.2075 10.4974 10.4974 k = 0.5000 0.2887-0.0000 ( 3558 PWs) bands (ev): -8.6555 -8.6555 -8.6331 -8.6331 -8.6277 -8.6277 -8.6140 -8.6140 -8.2206 -8.2206 -8.1858 -8.1858 -8.1713 -8.1713 -8.1564 -8.1564 -8.1542 -8.1542 -8.1456 -8.1456 -3.4816 -3.4816 -2.4841 -2.4841 -0.3293 -0.3293 0.8780 0.8780 2.5796 2.5796 3.9220 3.9220 4.2353 4.2353 5.4925 5.4925 7.4982 7.4982 8.6542 8.6542 10.2075 10.2075 10.4974 10.4974 k = 0.4933 0.3002-0.0000 ( 3558 PWs) bands (ev): -8.6556 -8.6554 -8.6343 -8.6319 -8.6278 -8.6275 -8.6140 -8.6140 -8.2223 -8.2189 -8.1866 -8.1849 -8.1716 -8.1711 -8.1565 -8.1563 -8.1542 -8.1542 -8.1458 -8.1454 -3.4804 -3.4803 -2.4841 -2.4839 -0.3297 -0.3270 0.8773 0.8781 2.5755 2.5848 3.9042 3.9245 4.2324 4.2360 5.4811 5.4836 7.5043 7.5185 8.6646 8.6710 10.1286 10.2118 10.4819 10.5822 k = 0.4867 0.3118-0.0000 ( 3562 PWs) bands (ev): -8.6557 -8.6554 -8.6355 -8.6307 -8.6279 -8.6273 -8.6140 -8.6140 -8.2240 -8.2172 -8.1875 -8.1841 -8.1719 -8.1708 -8.1567 -8.1562 -8.1542 -8.1542 -8.1459 -8.1453 -3.4768 -3.4766 -2.4841 -2.4837 -0.3282 -0.3229 0.8759 0.8775 2.5723 2.5910 3.8714 3.9121 4.2275 4.2344 5.4500 5.4548 7.5367 7.5646 8.7015 8.7144 10.0258 10.1319 10.5457 10.6849 k = 0.4800 0.3233-0.0000 ( 3566 PWs) bands (ev): -8.6558 -8.6554 -8.6367 -8.6296 -8.6279 -8.6271 -8.6140 -8.6140 -8.2256 -8.2155 -8.1884 -8.1833 -8.1722 -8.1706 -8.1569 -8.1561 -8.1542 -8.1542 -8.1461 -8.1452 -3.4707 -3.4704 -2.4839 -2.4834 -0.3247 -0.3167 0.8738 0.8763 2.5697 2.5982 3.8249 3.8858 4.2209 4.2306 5.4008 5.4080 7.5945 7.6351 8.7630 8.7828 9.9154 10.0225 10.6345 10.7883 k = 0.4733 0.3349-0.0000 ( 3566 PWs) bands (ev): -8.6559 -8.6554 -8.6379 -8.6288 -8.6276 -8.6268 -8.6140 -8.6140 -8.2273 -8.2139 -8.1892 -8.1825 -8.1724 -8.1704 -8.1571 -8.1561 -8.1542 -8.1542 -8.1463 -8.1450 -3.4622 -3.4618 -2.4838 -2.4831 -0.3194 -0.3087 0.8709 0.8742 2.5676 2.6063 3.7665 3.8475 4.2127 4.2248 5.3362 5.3456 7.6759 7.7280 8.8462 8.8735 9.8025 9.9053 10.7274 10.8864 k = 0.4667 0.3464-0.0000 ( 3556 PWs) bands (ev): -8.6561 -8.6554 -8.6390 -8.6285 -8.6267 -8.6265 -8.6140 -8.6139 -8.2288 -8.2122 -8.1900 -8.1817 -8.1727 -8.1701 -8.1572 -8.1561 -8.1542 -8.1541 -8.1464 -8.1449 -3.4512 -3.4507 -2.4838 -2.4829 -0.3122 -0.2988 0.8670 0.8713 2.5655 2.6152 3.6985 3.7995 4.2030 4.2171 5.2589 5.2706 7.7788 7.8414 8.9479 8.9835 9.6893 9.7863 10.8193 10.9762 k = 0.4600 0.3580-0.0000 ( 3550 PWs) bands (ev): -8.6562 -8.6555 -8.6401 -8.6283 -8.6262 -8.6256 -8.6139 -8.6139 -8.2304 -8.2106 -8.1907 -8.1809 -8.1729 -8.1699 -8.1574 -8.1560 -8.1541 -8.1540 -8.1466 -8.1448 -3.4379 -3.4372 -2.4839 -2.4829 -0.3031 -0.2869 0.8621 0.8674 2.5629 2.6244 3.6237 3.7444 4.1917 4.2076 5.1719 5.1860 7.9010 7.9728 9.0644 9.1094 9.5770 9.6680 10.9094 11.0569 k = 0.4533 0.3695-0.0000 ( 3558 PWs) bands (ev): -8.6564 -8.6556 -8.6413 -8.6283 -8.6260 -8.6245 -8.6139 -8.6139 -8.2319 -8.2090 -8.1915 -8.1803 -8.1732 -8.1697 -8.1575 -8.1561 -8.1541 -8.1540 -8.1467 -8.1447 -3.4221 -3.4214 -2.4844 -2.4832 -0.2921 -0.2732 0.8560 0.8623 2.5592 2.6333 3.5448 3.6851 4.1786 4.1960 5.0779 5.0946 8.0400 8.1201 9.1921 9.2481 9.4668 9.5521 10.9983 11.1298 k = 0.4467 0.3811-0.0000 ( 3566 PWs) bands (ev): -8.6566 -8.6557 -8.6424 -8.6282 -8.6258 -8.6235 -8.6138 -8.6138 -8.2334 -8.2074 -8.1922 -8.1797 -8.1734 -8.1695 -8.1577 -8.1561 -8.1541 -8.1540 -8.1468 -8.1447 -3.4040 -3.4032 -2.4854 -2.4841 -0.2793 -0.2575 0.8483 0.8558 2.5537 2.6412 3.4649 3.6247 4.1636 4.1822 4.9796 4.9991 8.1936 8.2814 9.3251 9.3593 9.3965 9.4420 11.0878 11.1983 k = 0.4400 0.3926-0.0000 ( 3562 PWs) bands (ev): -8.6567 -8.6557 -8.6434 -8.6281 -8.6255 -8.6224 -8.6138 -8.6137 -8.2348 -8.2059 -8.1929 -8.1793 -8.1735 -8.1693 -8.1578 -8.1561 -8.1541 -8.1540 -8.1469 -8.1446 -3.3835 -3.3826 -2.4871 -2.4856 -0.2645 -0.2399 0.8391 0.8477 2.5456 2.6467 3.3870 3.5658 4.1464 4.1661 4.8792 4.9018 8.3597 8.4548 9.2554 9.3226 9.4763 9.5517 11.1799 11.2662 k = 0.4333 0.4041-0.0000 ( 3564 PWs) bands (ev): -8.6569 -8.6558 -8.6444 -8.6280 -8.6253 -8.6214 -8.6138 -8.6136 -8.2361 -8.2044 -8.1935 -8.1790 -8.1736 -8.1692 -8.1579 -8.1561 -8.1541 -8.1540 -8.1470 -8.1446 -3.3608 -3.3598 -2.4896 -2.4880 -0.2479 -0.2203 0.8278 0.8377 2.5340 2.6482 3.3146 3.5112 4.1269 4.1473 4.7786 4.8047 8.5365 8.6387 9.1558 9.2194 9.6180 9.7106 11.2767 11.3372 k = 0.4267 0.4157-0.0000 ( 3556 PWs) bands (ev): -8.6570 -8.6559 -8.6454 -8.6279 -8.6250 -8.6204 -8.6137 -8.6135 -8.2374 -8.2029 -8.1941 -8.1788 -8.1735 -8.1690 -8.1580 -8.1561 -8.1541 -8.1540 -8.1470 -8.1446 -3.3358 -3.3347 -2.4932 -2.4915 -0.2294 -0.1988 0.8144 0.8257 2.5183 2.6432 3.2513 3.4632 4.1048 4.1256 4.6795 4.7097 8.7219 8.8310 9.0616 9.1193 9.7611 9.8705 11.3803 11.4141 k = 0.4200 0.4272-0.0000 ( 3566 PWs) bands (ev): -8.6572 -8.6560 -8.6464 -8.6277 -8.6249 -8.6196 -8.6136 -8.6134 -8.2386 -8.2016 -8.1946 -8.1789 -8.1733 -8.1690 -8.1581 -8.1562 -8.1542 -8.1540 -8.1470 -8.1446 -3.3086 -3.3074 -2.4981 -2.4964 -0.2090 -0.1754 0.7985 0.8112 2.4978 2.6294 3.2010 3.4236 4.0798 4.1008 4.5835 4.6182 8.9125 8.9632 9.0263 9.0405 9.9015 10.0283 11.4921 11.4995 k = 0.4133 0.4388-0.0000 ( 3568 PWs) bands (ev): -8.6573 -8.6561 -8.6473 -8.6276 -8.6247 -8.6187 -8.6136 -8.6133 -8.2397 -8.2003 -8.1951 -8.1791 -8.1731 -8.1689 -8.1581 -8.1562 -8.1542 -8.1541 -8.1470 -8.1446 -3.2793 -3.2781 -2.5047 -2.5029 -0.1866 -0.1499 0.7797 0.7942 2.4725 2.6051 3.1665 3.3937 4.0518 4.0729 4.4919 4.5313 8.8837 8.9307 9.1170 9.2436 10.0371 10.1812 11.5951 11.6129 k = 0.4067 0.4503-0.0000 ( 3568 PWs) bands (ev): -8.6573 -8.6562 -8.6482 -8.6274 -8.6246 -8.6180 -8.6135 -8.6132 -8.2408 -8.1991 -8.1954 -8.1794 -8.1728 -8.1688 -8.1581 -8.1562 -8.1543 -8.1542 -8.1469 -8.1447 -3.2479 -3.2466 -2.5131 -2.5113 -0.1623 -0.1225 0.7580 0.7741 2.4430 2.5703 3.1484 3.3740 4.0206 4.0418 4.4059 4.4501 8.8057 8.8482 9.3183 9.4568 10.1664 10.3267 11.7010 11.7409 k = 0.4000 0.4619-0.0000 ( 3556 PWs) bands (ev): -8.6574 -8.6562 -8.6490 -8.6272 -8.6245 -8.6173 -8.6134 -8.6130 -8.2417 -8.1981 -8.1954 -8.1799 -8.1724 -8.1688 -8.1581 -8.1561 -8.1543 -8.1542 -8.1468 -8.1447 -3.2146 -3.2132 -2.5236 -2.5219 -0.1360 -0.0930 0.7330 0.7510 2.4101 2.5272 3.1455 3.3643 3.9861 4.0079 4.3265 4.3750 8.7336 8.7712 9.5224 9.6749 10.2888 10.4628 11.8140 11.8696 k = 0.3933 0.4734-0.0000 ( 3568 PWs) bands (ev): -8.6574 -8.6563 -8.6498 -8.6270 -8.6245 -8.6167 -8.6133 -8.6129 -8.2426 -8.1976 -8.1951 -8.1804 -8.1721 -8.1689 -8.1580 -8.1561 -8.1544 -8.1544 -8.1467 -8.1448 -3.1793 -3.1778 -2.5366 -2.5350 -0.1076 -0.0613 0.7045 0.7244 2.3754 2.4793 3.1551 3.3641 3.9484 3.9718 4.2541 4.3060 8.6679 8.7007 9.7258 9.8964 10.4049 10.5881 11.9200 11.9746 k = 0.3867 0.4850-0.0000 ( 3572 PWs) bands (ev): -8.6575 -8.6563 -8.6506 -8.6268 -8.6245 -8.6162 -8.6132 -8.6128 -8.2434 -8.1975 -8.1943 -8.1810 -8.1718 -8.1689 -8.1580 -8.1561 -8.1545 -8.1545 -8.1465 -8.1448 -3.1422 -3.1407 -2.5522 -2.5508 -0.0770 -0.0275 0.6725 0.6944 2.3402 2.4297 3.1744 3.3723 3.9078 3.9347 4.1893 4.2428 8.6091 8.6372 9.9245 10.1198 10.5162 10.7023 11.9783 12.0012 k = 0.3800 0.4965-0.0000 ( 3572 PWs) bands (ev): -8.6574 -8.6564 -8.6514 -8.6266 -8.6245 -8.6158 -8.6130 -8.6127 -8.2440 -8.1976 -8.1934 -8.1816 -8.1714 -8.1690 -8.1579 -8.1561 -8.1546 -8.1545 -8.1464 -8.1449 -3.1035 -3.1020 -2.5708 -2.5695 -0.0444 0.0085 0.6369 0.6607 2.3062 2.3813 3.2010 3.3878 3.8650 3.8976 4.1319 4.1848 8.5573 8.5810 10.1127 10.3428 10.6259 10.8058 11.9726 11.9843 k = 0.3733 0.5081-0.0000 ( 3564 PWs) bands (ev): -8.6574 -8.6563 -8.6521 -8.6264 -8.6245 -8.6154 -8.6128 -8.6125 -8.2446 -8.1977 -8.1924 -8.1823 -8.1711 -8.1690 -8.1578 -8.1560 -8.1547 -8.1546 -8.1463 -8.1449 -3.0632 -3.0617 -2.5926 -2.5915 -0.0095 0.0469 0.5977 0.6234 2.2747 2.3360 3.2334 3.4097 3.8207 3.8617 4.0818 4.1314 8.5126 8.5321 10.2827 10.5625 10.7384 10.8996 11.9424 11.9638 k = 0.3667 0.5196-0.0000 ( 3560 PWs) bands (ev): -8.6573 -8.6563 -8.6527 -8.6262 -8.6245 -8.6152 -8.6127 -8.6124 -8.2451 -8.1979 -8.1914 -8.1829 -8.1708 -8.1691 -8.1577 -8.1560 -8.1547 -8.1546 -8.1461 -8.1450 -3.0215 -3.0200 -2.6178 -2.6169 0.0275 0.0878 0.5554 0.5826 2.2469 2.2954 3.2701 3.4367 3.7756 3.8277 4.0388 4.0823 8.4750 8.4906 10.4256 10.7739 10.8566 10.9844 11.9083 11.9499 k = 0.3600 0.5312-0.0000 ( 3566 PWs) bands (ev): -8.6571 -8.6563 -8.6534 -8.6260 -8.6246 -8.6150 -8.6125 -8.6124 -8.2455 -8.1980 -8.1904 -8.1837 -8.1706 -8.1693 -8.1576 -8.1559 -8.1548 -8.1547 -8.1460 -8.1451 -2.9786 -2.9772 -2.6464 -2.6459 0.0664 0.1311 0.5104 0.5386 2.2237 2.2605 3.3100 3.4678 3.7302 3.7959 4.0030 4.0380 8.4447 8.4566 10.5362 10.9678 10.9773 11.0613 11.8807 11.9504 k = 0.3533 0.5427-0.0000 ( 3564 PWs) bands (ev): -8.6570 -8.6562 -8.6540 -8.6258 -8.6247 -8.6148 -8.6124 -8.6123 -8.2458 -8.1981 -8.1895 -8.1845 -8.1704 -8.1694 -8.1575 -8.1559 -8.1549 -8.1548 -8.1458 -8.1452 -2.9346 -2.9333 -2.6788 -2.6785 0.1068 0.1770 0.4637 0.4916 2.2058 2.2319 3.3519 3.5018 3.6850 3.7660 3.9747 3.9994 8.4216 8.4301 10.6160 11.0873 11.1181 11.1410 11.8712 11.9728 k = 0.3467 0.5543-0.0000 ( 3560 PWs) bands (ev): -8.6568 -8.6561 -8.6545 -8.6255 -8.6248 -8.6147 -8.6123 -8.6122 -8.2460 -8.1982 -8.1886 -8.1852 -8.1702 -8.1695 -8.1574 -8.1559 -8.1549 -8.1548 -8.1457 -8.1453 -2.8899 -2.8888 -2.7148 -2.7148 0.1471 0.2255 0.4173 0.4423 2.1937 2.2102 3.3939 3.5366 3.6411 3.7376 3.9545 3.9687 8.4056 8.4110 10.6694 11.1714 11.1824 11.2434 11.8917 12.0196 k = 0.3400 0.5658-0.0000 ( 3568 PWs) bands (ev): -8.6566 -8.6561 -8.6548 -8.6254 -8.6250 -8.6147 -8.6123 -8.6122 -8.2462 -8.1982 -8.1877 -8.1861 -8.1700 -8.1697 -8.1574 -8.1559 -8.1549 -8.1549 -8.1456 -8.1454 -2.8448 -2.8438 -2.7547 -2.7544 0.1828 0.2755 0.3766 0.3921 2.1878 2.1956 3.4312 3.5679 3.6026 3.7122 3.9428 3.9482 8.3966 8.3992 10.6999 11.2217 11.2256 11.2899 11.9326 12.0791 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): -8.6563 -8.6563 -8.6550 -8.6252 -8.6252 -8.6147 -8.6122 -8.6122 -8.2462 -8.1983 -8.1869 -8.1869 -8.1699 -8.1699 -8.1574 -8.1559 -8.1549 -8.1549 -8.1455 -8.1455 -2.8048 -2.8034 -2.7929 -2.7929 0.1996 0.3127 0.3563 0.3563 2.1883 2.1883 3.4491 3.5836 3.5836 3.6996 3.9400 3.9400 8.3945 8.3945 10.7096 11.2411 11.2411 11.2962 11.9521 12.1145 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): -8.6563 -8.6563 -8.6550 -8.6252 -8.6252 -8.6147 -8.6122 -8.6122 -8.2462 -8.1983 -8.1869 -8.1869 -8.1699 -8.1699 -8.1574 -8.1559 -8.1549 -8.1549 -8.1455 -8.1455 -2.8048 -2.8034 -2.7929 -2.7929 0.1996 0.3127 0.3563 0.3563 2.1883 2.1883 3.4491 3.5836 3.5836 3.6996 3.9400 3.9400 8.3945 8.3945 10.7096 11.2411 11.2411 11.2962 11.9521 12.1145 k = 0.3267 0.5658-0.0000 ( 3572 PWs) bands (ev): -8.6567 -8.6560 -8.6549 -8.6254 -8.6250 -8.6147 -8.6123 -8.6122 -8.2462 -8.1982 -8.1877 -8.1861 -8.1700 -8.1697 -8.1574 -8.1559 -8.1549 -8.1549 -8.1456 -8.1454 -2.8466 -2.8455 -2.7531 -2.7527 0.1812 0.2752 0.3737 0.3974 2.1882 2.1953 3.4299 3.5683 3.6014 3.7140 3.9449 3.9462 8.3967 8.3990 10.7005 11.2129 11.2362 11.2949 11.9402 12.0907 k = 0.3200 0.5543-0.0000 ( 3564 PWs) bands (ev): -8.6570 -8.6557 -8.6546 -8.6256 -8.6248 -8.6148 -8.6123 -8.6122 -8.2460 -8.1982 -8.1885 -8.1853 -8.1701 -8.1696 -8.1574 -8.1559 -8.1549 -8.1548 -8.1457 -8.1453 -2.8972 -2.8958 -2.7083 -2.7082 0.1390 0.2221 0.4182 0.4572 2.1952 2.2087 3.3871 3.5308 3.6425 3.7466 3.9614 3.9627 8.4056 8.4099 10.6746 11.1568 11.2124 11.2804 11.9164 12.0520 k = 0.3133 0.5427-0.0000 ( 3568 PWs) bands (ev): -8.6575 -8.6553 -8.6544 -8.6258 -8.6247 -8.6149 -8.6124 -8.6123 -8.2459 -8.1981 -8.1893 -8.1846 -8.1703 -8.1694 -8.1575 -8.1559 -8.1549 -8.1548 -8.1458 -8.1453 -2.9511 -2.9494 -2.6647 -2.6643 0.0885 0.1683 0.4751 0.5217 2.2092 2.2284 3.3357 3.4835 3.6919 3.7858 3.9852 3.9923 8.4210 8.4269 10.6346 11.0874 11.1728 11.2449 11.8762 11.9777 k = 0.3067 0.5312-0.0000 ( 3560 PWs) bands (ev): -8.6578 -8.6549 -8.6540 -8.6260 -8.6245 -8.6150 -8.6125 -8.6123 -8.2456 -8.1980 -8.1901 -8.1838 -8.1704 -8.1693 -8.1576 -8.1559 -8.1549 -8.1547 -8.1458 -8.1453 -3.0080 -3.0061 -2.6225 -2.6217 0.0359 0.1154 0.5391 0.5901 2.2299 2.2544 3.2807 3.4315 3.7448 3.8278 4.0175 4.0323 8.4425 8.4499 10.5830 11.0106 11.1198 11.1900 11.8059 11.8805 k = 0.3000 0.5196-0.0000 ( 3560 PWs) bands (ev): -8.6582 -8.6545 -8.6536 -8.6262 -8.6244 -8.6153 -8.6126 -8.6123 -8.2452 -8.1980 -8.1910 -8.1832 -8.1706 -8.1692 -8.1578 -8.1559 -8.1549 -8.1546 -8.1459 -8.1453 -3.0676 -3.0655 -2.5823 -2.5810 -0.0161 0.0645 0.6084 0.6622 2.2571 2.2864 3.2241 3.3771 3.7996 3.8719 4.0575 4.0808 8.4698 8.4783 10.5226 10.9289 11.0557 11.1205 11.7131 11.7737 k = 0.2933 0.5081-0.0000 ( 3552 PWs) bands (ev): -8.6586 -8.6540 -8.6531 -8.6265 -8.6243 -8.6156 -8.6127 -8.6123 -8.2448 -8.1978 -8.1917 -8.1825 -8.1707 -8.1691 -8.1580 -8.1559 -8.1548 -8.1545 -8.1460 -8.1453 -3.1297 -3.1274 -2.5447 -2.5427 -0.0660 0.0165 0.6824 0.7381 2.2902 2.3241 3.1670 3.3215 3.8559 3.9185 4.1048 4.1362 8.5027 8.5121 10.4553 10.8441 10.9830 11.0411 11.6097 11.6628 k = 0.2867 0.4965-0.0000 ( 3560 PWs) bands (ev): -8.6589 -8.6535 -8.6526 -8.6267 -8.6242 -8.6160 -8.6129 -8.6123 -8.2443 -8.1978 -8.1925 -8.1819 -8.1709 -8.1691 -8.1582 -8.1560 -8.1549 -8.1545 -8.1460 -8.1454 -3.1939 -3.1915 -2.5103 -2.5077 -0.1125 -0.0277 0.7607 0.8177 2.3291 2.3674 3.1102 3.2655 3.9137 3.9679 4.1583 4.1970 8.5406 8.5506 10.3830 10.7572 10.9039 10.9556 11.5019 11.5506 k = 0.2800 0.4850-0.0000 ( 3568 PWs) bands (ev): -8.6592 -8.6530 -8.6521 -8.6270 -8.6242 -8.6165 -8.6131 -8.6123 -8.2438 -8.1977 -8.1933 -8.1813 -8.1710 -8.1690 -8.1584 -8.1560 -8.1549 -8.1545 -8.1461 -8.1454 -3.2600 -3.2574 -2.4797 -2.4764 -0.1547 -0.0673 0.8431 0.9011 2.3730 2.4159 3.0545 3.2099 3.9732 4.0206 4.2174 4.2621 8.5833 8.5937 10.3072 10.6689 10.8204 10.8666 11.3929 11.4387 k = 0.2733 0.4734-0.0000 ( 3576 PWs) bands (ev): -8.6595 -8.6525 -8.6516 -8.6273 -8.6241 -8.6170 -8.6133 -8.6123 -8.2433 -8.1976 -8.1941 -8.1807 -8.1712 -8.1689 -8.1587 -8.1560 -8.1549 -8.1544 -8.1462 -8.1455 -3.3276 -3.3249 -2.4535 -2.4496 -0.1917 -0.1015 0.9297 0.9883 2.4215 2.4694 3.0007 3.1553 4.0346 4.0766 4.2812 4.3306 8.6303 8.6409 10.2289 10.5799 10.7342 10.7762 11.2840 11.3281 k = 0.2667 0.4619-0.0000 ( 3580 PWs) bands (ev): -8.6597 -8.6519 -8.6510 -8.6275 -8.6241 -8.6175 -8.6136 -8.6122 -8.2426 -8.1975 -8.1948 -8.1802 -8.1713 -8.1689 -8.1590 -8.1561 -8.1550 -8.1544 -8.1463 -8.1457 -3.3964 -3.3937 -2.4323 -2.4278 -0.2228 -0.1297 1.0202 1.0792 2.4735 2.5276 2.9501 3.1023 4.0981 4.1361 4.3489 4.4021 8.6812 8.6916 10.1491 10.4905 10.6465 10.6857 11.1763 11.2192 k = 0.2600 0.4503-0.0000 ( 3580 PWs) bands (ev): -8.6599 -8.6514 -8.6504 -8.6278 -8.6241 -8.6181 -8.6138 -8.6122 -8.2420 -8.1974 -8.1955 -8.1797 -8.1715 -8.1688 -8.1593 -8.1562 -8.1550 -8.1544 -8.1463 -8.1458 -3.4662 -3.4634 -2.4166 -2.4116 -0.2473 -0.1513 1.1146 1.1739 2.5273 2.5901 2.9044 3.0514 4.1637 4.1988 4.4200 4.4760 8.7353 8.7454 10.0686 10.4011 10.5584 10.5962 11.0704 11.1125 k = 0.2533 0.4388-0.0000 ( 3572 PWs) bands (ev): -8.6600 -8.6507 -8.6497 -8.6281 -8.6240 -8.6187 -8.6141 -8.6121 -8.2413 -8.1972 -8.1962 -8.1792 -8.1716 -8.1687 -8.1596 -8.1562 -8.1550 -8.1543 -8.1463 -8.1459 -3.5367 -3.5339 -2.4068 -2.4014 -0.2648 -0.1659 1.2130 1.2722 2.5795 2.6566 2.8675 3.0033 4.2317 4.2647 4.4940 4.5520 8.7920 8.8016 9.9881 10.3122 10.4708 10.5089 10.9665 11.0081 k = 0.2467 0.4272-0.0000 ( 3572 PWs) bands (ev): -8.6601 -8.6501 -8.6490 -8.6283 -8.6240 -8.6194 -8.6144 -8.6121 -8.2405 -8.1971 -8.1968 -8.1787 -8.1718 -8.1686 -8.1599 -8.1563 -8.1550 -8.1543 -8.1464 -8.1460 -3.6075 -3.6048 -2.4031 -2.3974 -0.2751 -0.1735 1.3151 1.3743 2.6221 2.7264 2.8474 2.9589 4.3019 4.3336 4.5703 4.6298 8.8504 8.8593 9.9084 10.2239 10.3847 10.4246 10.8649 10.9064 k = 0.2400 0.4157-0.0000 ( 3572 PWs) bands (ev): -8.6602 -8.6495 -8.6483 -8.6286 -8.6240 -8.6200 -8.6147 -8.6121 -8.2398 -8.1974 -8.1970 -8.1783 -8.1719 -8.1684 -8.1602 -8.1563 -8.1551 -8.1543 -8.1464 -8.1462 -3.6786 -3.6758 -2.4057 -2.3999 -0.2783 -0.1742 1.4210 1.4800 2.6420 2.7975 2.8576 2.9206 4.3743 4.4053 4.6488 4.7091 8.9094 8.9176 9.8300 10.1364 10.3009 10.3444 10.7658 10.8074 k = 0.2333 0.4041-0.0000 ( 3568 PWs) bands (ev): -8.6603 -8.6488 -8.6475 -8.6288 -8.6241 -8.6207 -8.6150 -8.6120 -8.2390 -8.1980 -8.1969 -8.1779 -8.1721 -8.1683 -8.1605 -8.1564 -8.1551 -8.1544 -8.1465 -8.1464 -3.7495 -3.7469 -2.4143 -2.4085 -0.2746 -0.1681 1.5306 1.5892 2.6365 2.8492 2.9011 2.9091 4.4486 4.4795 4.7289 4.7898 8.9674 8.9753 9.7540 10.0502 10.2204 10.2695 10.6692 10.7111 k = 0.2267 0.3926-0.0000 ( 3564 PWs) bands (ev): -8.6603 -8.6482 -8.6468 -8.6291 -8.6241 -8.6213 -8.6153 -8.6120 -8.2382 -8.1985 -8.1968 -8.1775 -8.1722 -8.1682 -8.1609 -8.1565 -8.1552 -8.1544 -8.1465 -8.1465 -3.8202 -3.8176 -2.4287 -2.4232 -0.2646 -0.1560 1.6438 1.7019 2.6182 2.8351 2.9655 2.9715 4.5248 4.5560 4.8107 4.8716 9.0222 9.0306 9.6813 9.9652 10.1446 10.2013 10.5754 10.6177 k = 0.2200 0.3811-0.0000 ( 3567 PWs) bands (ev): -8.6603 -8.6475 -8.6460 -8.6294 -8.6242 -8.6221 -8.6156 -8.6120 -8.2373 -8.1989 -8.1968 -8.1771 -8.1724 -8.1680 -8.1612 -8.1567 -8.1552 -8.1545 -8.1467 -8.1466 -3.8903 -3.8878 -2.4484 -2.4433 -0.2489 -0.1386 1.7605 1.8181 2.5977 2.8102 3.0409 3.0528 4.6026 4.6346 4.8937 4.9544 9.0704 9.0814 9.6134 9.8817 10.0754 10.1419 10.4843 10.5273 k = 0.2133 0.3695-0.0000 ( 3575 PWs) bands (ev): -8.6602 -8.6469 -8.6453 -8.6296 -8.6243 -8.6228 -8.6160 -8.6121 -8.2365 -8.1994 -8.1967 -8.1768 -8.1726 -8.1679 -8.1616 -8.1568 -8.1553 -8.1546 -8.1468 -8.1466 -3.9598 -3.9574 -2.4730 -2.4685 -0.2285 -0.1167 1.8808 1.9375 2.5796 2.7892 3.1228 3.1388 4.6818 4.7150 4.9779 5.0380 9.1073 9.1250 9.5522 9.7999 10.0155 10.0935 10.3960 10.4398 k = 0.2067 0.3580-0.0000 ( 3579 PWs) bands (ev): -8.6601 -8.6462 -8.6445 -8.6299 -8.6244 -8.6235 -8.6163 -8.6122 -8.2357 -8.1998 -8.1966 -8.1766 -8.1728 -8.1678 -8.1619 -8.1570 -8.1554 -8.1547 -8.1469 -8.1467 -4.0284 -4.0261 -2.5019 -2.4979 -0.2044 -0.0915 2.0045 2.0601 2.5666 2.7741 3.2093 3.2277 4.7622 4.7970 5.0630 5.1222 9.1269 9.1582 9.4996 9.7199 9.9688 10.0588 10.3107 10.3554 k = 0.2000 0.3464-0.0000 ( 3593 PWs) bands (ev): -8.6600 -8.6455 -8.6437 -8.6301 -8.6245 -8.6242 -8.6167 -8.6123 -8.2348 -8.2002 -8.1966 -8.1764 -8.1730 -8.1676 -8.1622 -8.1572 -8.1555 -8.1548 -8.1471 -8.1468 -4.0959 -4.0938 -2.5343 -2.5311 -0.1775 -0.0640 2.1315 2.1854 2.5604 2.7658 3.2992 3.3192 4.8434 4.8802 5.1489 5.2069 9.1246 9.1780 9.4553 9.6419 9.9397 10.0402 10.2284 10.2743 k = 0.1933 0.3349-0.0000 ( 3591 PWs) bands (ev): -8.6598 -8.6448 -8.6429 -8.6304 -8.6249 -8.6245 -8.6170 -8.6124 -8.2339 -8.2005 -8.1966 -8.1762 -8.1731 -8.1674 -8.1625 -8.1574 -8.1555 -8.1550 -8.1472 -8.1469 -4.1623 -4.1603 -2.5698 -2.5672 -0.1490 -0.0354 2.2617 2.3127 2.5628 2.7651 3.3919 3.4126 4.9252 4.9644 5.2354 5.2919 9.1006 9.1825 9.4148 9.5659 9.9317 10.0381 10.1500 10.1967 k = 0.1867 0.3233-0.0000 ( 3599 PWs) bands (ev): -8.6596 -8.6441 -8.6422 -8.6306 -8.6256 -8.6247 -8.6174 -8.6125 -8.2331 -8.2007 -8.1966 -8.1761 -8.1733 -8.1673 -8.1627 -8.1576 -8.1556 -8.1552 -8.1473 -8.1469 -4.2274 -4.2255 -2.6077 -2.6058 -0.1198 -0.0066 2.3950 2.4385 2.5781 2.7725 3.4870 3.5079 5.0073 5.0493 5.3225 5.3770 9.0604 9.1717 9.3720 9.4921 9.9436 10.0429 10.0845 10.1238 k = 0.1800 0.3118-0.0000 ( 3585 PWs) bands (ev): -8.6593 -8.6434 -8.6413 -8.6308 -8.6262 -8.6248 -8.6177 -8.6127 -8.2321 -8.2009 -8.1965 -8.1761 -8.1735 -8.1670 -8.1628 -8.1578 -8.1557 -8.1553 -8.1473 -8.1470 -4.2911 -4.2893 -2.6474 -2.6462 -0.0909 0.0213 2.5312 2.5411 2.6283 2.7888 3.5839 3.6045 5.0894 5.1346 5.4099 5.4622 9.0105 9.1472 9.3235 9.4207 9.9654 9.9910 10.0617 10.0926 k = 0.1733 0.3002-0.0000 ( 3587 PWs) bands (ev): -8.6590 -8.6428 -8.6406 -8.6310 -8.6268 -8.6249 -8.6181 -8.6129 -8.2312 -8.2011 -8.1965 -8.1761 -8.1737 -8.1668 -8.1630 -8.1580 -8.1558 -8.1555 -8.1474 -8.1470 -4.3531 -4.3515 -2.6884 -2.6879 -0.0630 0.0474 2.5921 2.6693 2.7426 2.8151 3.6825 3.7024 5.1712 5.2199 5.4975 5.5472 8.9553 9.1118 9.2696 9.3515 9.9219 9.9526 10.0489 10.1307 k = 0.1667 0.2887-0.0000 ( 3577 PWs) bands (ev): -8.6586 -8.6421 -8.6398 -8.6312 -8.6274 -8.6251 -8.6185 -8.6131 -8.2303 -8.2012 -8.1965 -8.1763 -8.1738 -8.1666 -8.1631 -8.1583 -8.1559 -8.1558 -8.1474 -8.1470 -4.4136 -4.4121 -2.7304 -2.7303 -0.0370 0.0711 2.6337 2.8026 2.8585 2.8789 3.7822 3.8010 5.2523 5.3049 5.5852 5.6319 8.8978 9.0685 9.2117 9.2847 9.8543 9.8970 10.0881 10.1760 k = 0.1600 0.2771-0.0000 ( 3573 PWs) bands (ev): -8.6581 -8.6414 -8.6390 -8.6313 -8.6280 -8.6252 -8.6188 -8.6134 -8.2294 -8.2012 -8.1965 -8.1765 -8.1739 -8.1664 -8.1631 -8.1585 -8.1561 -8.1560 -8.1474 -8.1470 -4.4722 -4.4709 -2.7733 -2.7726 -0.0133 0.0918 2.6819 2.8809 2.9692 3.0215 3.8829 3.9003 5.3325 5.3893 5.6728 5.7162 8.8395 9.0194 9.1513 9.2202 9.7894 9.8362 10.1369 10.2231 k = 0.1533 0.2656-0.0000 ( 3573 PWs) bands (ev): -8.6577 -8.6407 -8.6383 -8.6315 -8.6285 -8.6254 -8.6192 -8.6138 -8.2285 -8.2012 -8.1966 -8.1768 -8.1740 -8.1662 -8.1632 -8.1587 -8.1563 -8.1561 -8.1474 -8.1471 -4.5290 -4.5278 -2.8161 -2.8149 0.0077 0.1092 2.7389 2.9374 3.1140 3.1678 3.9841 3.9997 5.4115 5.4727 5.7601 5.7999 8.7813 8.9663 9.0895 9.1580 9.7274 9.7766 10.1845 10.2677 k = 0.1467 0.2540-0.0000 ( 3575 PWs) bands (ev): -8.6572 -8.6401 -8.6376 -8.6317 -8.6290 -8.6256 -8.6196 -8.6141 -8.2275 -8.2012 -8.1966 -8.1772 -8.1741 -8.1660 -8.1631 -8.1590 -8.1566 -8.1562 -8.1473 -8.1471 -4.5839 -4.5828 -2.8587 -2.8570 0.0257 0.1231 2.8054 3.0008 3.2641 3.3171 4.0856 4.0990 5.4891 5.5549 5.8469 5.8828 8.7235 8.9104 9.0271 9.0979 9.6684 9.7194 10.2263 10.3059 k = 0.1400 0.2425-0.0000 ( 3571 PWs) bands (ev): -8.6567 -8.6395 -8.6369 -8.6318 -8.6295 -8.6258 -8.6200 -8.6145 -8.2266 -8.2012 -8.1967 -8.1777 -8.1742 -8.1657 -8.1630 -8.1592 -8.1569 -8.1563 -8.1473 -8.1470 -4.6368 -4.6358 -2.9006 -2.8986 0.0407 0.1334 2.8813 3.0728 3.4173 3.4690 4.1869 4.1979 5.5649 5.6353 5.9330 5.9648 8.6665 8.8525 8.9646 9.0398 9.6127 9.6651 10.2582 10.3340 k = 0.1333 0.2309-0.0000 ( 3575 PWs) bands (ev): -8.6561 -8.6389 -8.6362 -8.6319 -8.6300 -8.6260 -8.6204 -8.6150 -8.2256 -8.2011 -8.1967 -8.1782 -8.1743 -8.1655 -8.1629 -8.1595 -8.1573 -8.1565 -8.1472 -8.1470 -4.6876 -4.6867 -2.9417 -2.9393 0.0525 0.1403 2.9663 3.1536 3.5731 3.6231 4.2879 4.2960 5.6389 5.7139 6.0180 6.0457 8.6100 8.7928 8.9020 8.9834 9.5603 9.6137 10.2770 10.3483 k = 0.1267 0.2194-0.0000 ( 3579 PWs) bands (ev): -8.6555 -8.6383 -8.6356 -8.6320 -8.6304 -8.6262 -8.6208 -8.6155 -8.2247 -8.2010 -8.1968 -8.1789 -8.1743 -8.1654 -8.1628 -8.1597 -8.1576 -8.1567 -8.1471 -8.1470 -4.7362 -4.7355 -2.9817 -2.9791 0.0615 0.1440 3.0601 3.2429 3.7311 3.7791 4.3882 4.3930 5.7109 5.7901 6.1018 6.1252 8.5538 8.7314 8.8397 8.9284 9.5113 9.5655 10.2800 10.3460 k = 0.1200 0.2078-0.0000 ( 3573 PWs) bands (ev): -8.6548 -8.6378 -8.6350 -8.6321 -8.6308 -8.6264 -8.6211 -8.6161 -8.2236 -8.2009 -8.1969 -8.1796 -8.1743 -8.1652 -8.1626 -8.1599 -8.1579 -8.1569 -8.1471 -8.1469 -4.7827 -4.7820 -3.0205 -3.0176 0.0677 0.1449 3.1620 3.3403 3.8910 3.9367 4.4876 4.4885 5.7807 5.8638 6.1839 6.2032 8.4975 8.6683 8.7776 8.8743 9.4660 9.5205 10.2653 10.3248 k = 0.1133 0.1963-0.0000 ( 3573 PWs) bands (ev): -8.6541 -8.6373 -8.6345 -8.6322 -8.6311 -8.6266 -8.6215 -8.6167 -8.2226 -8.2007 -8.1970 -8.1804 -8.1743 -8.1651 -8.1624 -8.1601 -8.1582 -8.1571 -8.1470 -8.1469 -4.8269 -4.8263 -3.0578 -3.0547 0.0715 0.1433 3.2714 3.4453 4.0525 4.0954 4.5825 4.5860 5.8483 5.9346 6.2641 6.2793 8.4402 8.6030 8.7157 8.8206 9.4245 9.4788 10.2323 10.2846 k = 0.1067 0.1848-0.0000 ( 3573 PWs) bands (ev): -8.6534 -8.6368 -8.6340 -8.6322 -8.6314 -8.6269 -8.6219 -8.6173 -8.2216 -8.2006 -8.1971 -8.1812 -8.1742 -8.1650 -8.1622 -8.1602 -8.1585 -8.1573 -8.1469 -8.1468 -4.8688 -4.8683 -3.0935 -3.0904 0.0731 0.1396 3.3877 3.5572 4.2150 4.2543 4.6747 4.6833 5.9136 6.0024 6.3420 6.3532 8.3811 8.5350 8.6540 8.7666 9.3870 9.4405 10.1821 10.2265 k = 0.1000 0.1732-0.0000 ( 3565 PWs) bands (ev): -8.6526 -8.6363 -8.6335 -8.6322 -8.6316 -8.6271 -8.6223 -8.6179 -8.2205 -8.2004 -8.1972 -8.1821 -8.1741 -8.1650 -8.1619 -8.1603 -8.1587 -8.1575 -8.1468 -8.1467 -4.9084 -4.9080 -3.1275 -3.1243 0.0730 0.1342 3.5102 3.6755 4.3775 4.4123 4.7654 4.7801 5.9768 6.0670 6.4172 6.4248 8.3188 8.4636 8.5926 8.7117 9.3538 9.4057 10.1171 10.1533 k = 0.0933 0.1617-0.0000 ( 3565 PWs) bands (ev): -8.6518 -8.6359 -8.6330 -8.6322 -8.6318 -8.6273 -8.6226 -8.6186 -8.2194 -8.2002 -8.1972 -8.1831 -8.1741 -8.1650 -8.1617 -8.1604 -8.1590 -8.1577 -8.1466 -8.1466 -4.9456 -4.9453 -3.1597 -3.1565 0.0713 0.1274 3.6381 3.7994 4.5386 4.5674 4.8556 4.8776 6.0378 6.1282 6.4893 6.4936 8.2519 8.3878 8.5314 8.6550 9.3248 9.3747 10.0405 10.0688 k = 0.0867 0.1501-0.0000 ( 3573 PWs) bands (ev): -8.6509 -8.6356 -8.6327 -8.6322 -8.6320 -8.6276 -8.6230 -8.6194 -8.2183 -8.2000 -8.1974 -8.1842 -8.1739 -8.1652 -8.1615 -8.1605 -8.1592 -8.1579 -8.1465 -8.1465 -4.9804 -4.9801 -3.1900 -3.1869 0.0685 0.1196 3.7708 3.9282 4.6948 4.7159 4.9479 4.9786 6.0970 6.1859 6.5579 6.5593 8.1789 8.3066 8.4702 8.5954 9.3004 9.3474 9.9563 9.9773 k = 0.0800 0.1386-0.0000 ( 3583 PWs) bands (ev): -8.6500 -8.6353 -8.6325 -8.6321 -8.6321 -8.6278 -8.6234 -8.6202 -8.2172 -8.1999 -8.1975 -8.1853 -8.1738 -8.1654 -8.1613 -8.1606 -8.1594 -8.1581 -8.1464 -8.1464 -5.0127 -5.0125 -3.2183 -3.2153 0.0648 0.1111 3.9073 4.0611 4.8394 4.8520 5.0483 5.0880 6.1545 6.2402 6.6217 6.6226 8.0986 8.2192 8.4086 8.5321 9.2805 9.3240 9.8686 9.8831 k = 0.0733 0.1270-0.0000 ( 3579 PWs) bands (ev): -8.6491 -8.6351 -8.6324 -8.6322 -8.6319 -8.6280 -8.6237 -8.6209 -8.2160 -8.1997 -8.1975 -8.1864 -8.1736 -8.1656 -8.1610 -8.1607 -8.1594 -8.1584 -8.1463 -8.1463 -5.0425 -5.0424 -3.2446 -3.2417 0.0605 0.1021 4.0467 4.1971 4.9618 4.9695 5.1667 5.2110 6.2108 6.2910 6.6805 6.6832 8.0100 8.1247 8.3459 8.4638 9.2651 9.3045 9.7811 9.7901 k = 0.0667 0.1155-0.0000 ( 3579 PWs) bands (ev): -8.6482 -8.6350 -8.6323 -8.6322 -8.6316 -8.6283 -8.6241 -8.6217 -8.2147 -8.1995 -8.1976 -8.1876 -8.1734 -8.1659 -8.1609 -8.1607 -8.1595 -8.1586 -8.1462 -8.1462 -5.0699 -5.0698 -3.2687 -3.2659 0.0559 0.0931 4.1881 4.3349 5.0581 5.0674 5.3059 5.3473 6.2666 6.3388 6.7353 6.7392 7.9128 8.0226 8.2807 8.3897 9.2538 9.2889 9.6971 9.7018 k = 0.0600 0.1039-0.0000 ( 3587 PWs) bands (ev): -8.6472 -8.6349 -8.6323 -8.6321 -8.6314 -8.6285 -8.6244 -8.6224 -8.2135 -8.1994 -8.1977 -8.1889 -8.1732 -8.1663 -8.1608 -8.1607 -8.1595 -8.1588 -8.1461 -8.1461 -5.0947 -5.0946 -3.2907 -3.2881 0.0512 0.0841 4.3300 4.4733 5.1359 5.1499 5.4575 5.4910 6.3229 6.3842 6.7858 6.7904 7.8077 7.9131 8.2117 8.3086 9.2463 9.2768 9.6193 9.6209 k = 0.0533 0.0924-0.0000 ( 3583 PWs) bands (ev): -8.6462 -8.6349 -8.6322 -8.6321 -8.6312 -8.6287 -8.6247 -8.6231 -8.2122 -8.1992 -8.1978 -8.1901 -8.1729 -8.1666 -8.1608 -8.1606 -8.1595 -8.1589 -8.1460 -8.1460 -5.1169 -5.1169 -3.3104 -3.3080 0.0466 0.0755 4.4709 4.6102 5.2028 5.2219 5.6125 5.6355 6.3814 6.4282 6.8321 6.8365 7.6957 7.7968 8.1374 8.2199 9.2418 9.2677 9.5495 9.5496 k = 0.0467 0.0808-0.0000 ( 3591 PWs) bands (ev): -8.6453 -8.6350 -8.6322 -8.6321 -8.6311 -8.6290 -8.6250 -8.6238 -8.2109 -8.1991 -8.1978 -8.1914 -8.1727 -8.1670 -8.1609 -8.1605 -8.1594 -8.1591 -8.1460 -8.1459 -5.1366 -5.1366 -3.3279 -3.3258 0.0424 0.0673 4.6087 4.7429 5.2633 5.2866 5.7645 5.7748 6.4444 6.4729 6.8737 6.8772 7.5789 7.6753 8.0563 8.1231 9.2393 9.2610 9.4887 9.4897 k = 0.0400 0.0693-0.0000 ( 3589 PWs) bands (ev): -8.6443 -8.6352 -8.6321 -8.6320 -8.6309 -8.6292 -8.6252 -8.6244 -8.2096 -8.1989 -8.1979 -8.1928 -8.1724 -8.1674 -8.1609 -8.1604 -8.1594 -8.1591 -8.1459 -8.1459 -5.1537 -5.1537 -3.3431 -3.3412 0.0386 0.0597 4.7406 4.8676 5.3205 5.3461 5.9031 5.9075 6.5153 6.5218 6.9107 6.9125 7.4601 7.5508 7.9675 8.0179 9.2375 9.2553 9.4395 9.4405 k = 0.0333 0.0577-0.0000 ( 3601 PWs) bands (ev): -8.6433 -8.6355 -8.6321 -8.6320 -8.6308 -8.6294 -8.6255 -8.6250 -8.2083 -8.1988 -8.1980 -8.1942 -8.1720 -8.1679 -8.1609 -8.1604 -8.1593 -8.1592 -8.1458 -8.1458 -5.1682 -5.1682 -3.3559 -3.3544 0.0354 0.0528 4.8630 4.9789 5.3774 5.4025 6.0146 6.0340 6.5805 6.5977 6.9422 6.9431 7.3430 7.4265 7.8705 7.9050 9.2351 9.2493 9.4023 9.4030 k = 0.0267 0.0462-0.0000 ( 3605 PWs) bands (ev): -8.6423 -8.6359 -8.6320 -8.6320 -8.6308 -8.6296 -8.6257 -8.6254 -8.2069 -8.1987 -8.1980 -8.1956 -8.1717 -8.1683 -8.1609 -8.1605 -8.1593 -8.1592 -8.1458 -8.1458 -5.1801 -5.1801 -3.3665 -3.3652 0.0330 0.0468 4.9712 5.0706 5.4365 5.4570 6.1051 6.1354 6.6553 6.6935 6.9665 6.9712 7.2328 7.3067 7.7658 7.7853 9.2309 9.2419 9.3767 9.3770 k = 0.0200 0.0346-0.0000 ( 3609 PWs) bands (ev): -8.6413 -8.6364 -8.6320 -8.6320 -8.6306 -8.6298 -8.6258 -8.6257 -8.2055 -8.1986 -8.1981 -8.1970 -8.1713 -8.1688 -8.1609 -8.1605 -8.1592 -8.1592 -8.1458 -8.1458 -5.1893 -5.1893 -3.3746 -3.3737 0.0313 0.0416 5.0608 5.1378 5.4970 5.5097 6.1735 6.2064 6.7481 6.8004 6.9857 6.9961 7.1359 7.1972 7.6551 7.6614 9.2253 9.2332 9.3612 9.3613 k = 0.0133 0.0231-0.0000 ( 3613 PWs) bands (ev): -8.6403 -8.6370 -8.6320 -8.6320 -8.6305 -8.6300 -8.6260 -8.6259 -8.2041 -8.1985 -8.1984 -8.1982 -8.1709 -8.1692 -8.1609 -8.1606 -8.1592 -8.1592 -8.1458 -8.1457 -5.1959 -5.1959 -3.3804 -3.3798 0.0306 0.0374 5.1284 5.1797 5.5523 5.5572 6.2215 6.2483 6.8498 6.9072 7.0036 7.0210 7.0605 7.1053 7.5384 7.5422 9.2197 9.2247 9.3530 9.3530 k = 0.0067 0.0115-0.0000 ( 3617 PWs) bands (ev): -8.6394 -8.6378 -8.6319 -8.6319 -8.6304 -8.6301 -8.6261 -8.6261 -8.2027 -8.1999 -8.1984 -8.1983 -8.1705 -8.1697 -8.1609 -8.1607 -8.1591 -8.1591 -8.1458 -8.1457 -5.1999 -5.1999 -3.3838 -3.3835 0.0308 0.0342 5.1731 5.1984 5.5915 5.5923 6.2521 6.2668 6.9339 6.9707 7.0154 7.0371 7.0487 7.0560 7.4307 7.4388 9.2159 9.2184 9.3493 9.3493 k = 0.0000 0.0000 0.0000 ( 3633 PWs) bands (ev): -8.6386 -8.6386 -8.6320 -8.6320 -8.6303 -8.6303 -8.6261 -8.6261 -8.2013 -8.2013 -8.1984 -8.1984 -8.1701 -8.1701 -8.1608 -8.1608 -8.1591 -8.1591 -8.1458 -8.1458 -5.2012 -5.2012 -3.3849 -3.3849 0.0320 0.0320 5.1961 5.1961 5.6056 5.6056 6.2672 6.2672 6.9715 6.9715 7.0078 7.0078 7.0860 7.0860 7.3835 7.3835 9.2153 9.2153 9.3483 9.3483 k = 0.0000 0.0000 0.0000 ( 3633 PWs) bands (ev): -8.6386 -8.6386 -8.6320 -8.6320 -8.6303 -8.6303 -8.6261 -8.6261 -8.2013 -8.2013 -8.1984 -8.1984 -8.1701 -8.1701 -8.1608 -8.1608 -8.1591 -8.1591 -8.1458 -8.1458 -5.2012 -5.2012 -3.3849 -3.3849 0.0320 0.0320 5.1961 5.1961 5.6056 5.6056 6.2672 6.2672 6.9715 6.9715 7.0078 7.0078 7.0860 7.0860 7.3835 7.3835 9.2153 9.2153 9.3483 9.3483 k = 0.0000 0.0000 0.0133 ( 3603 PWs) bands (ev): -8.6385 -8.6385 -8.6319 -8.6319 -8.6303 -8.6303 -8.6261 -8.6261 -8.2012 -8.2012 -8.1984 -8.1984 -8.1701 -8.1701 -8.1608 -8.1608 -8.1591 -8.1591 -8.1457 -8.1457 -5.1999 -5.1999 -3.3890 -3.3890 0.0388 0.0388 5.1972 5.1972 5.6068 5.6068 6.2519 6.2519 6.9260 6.9260 7.0092 7.0092 7.0832 7.0832 7.4375 7.4375 9.2179 9.2179 9.3509 9.3509 k = 0.0000 0.0000 0.0266 ( 3615 PWs) bands (ev): -8.6385 -8.6385 -8.6319 -8.6319 -8.6303 -8.6303 -8.6261 -8.6261 -8.2013 -8.2013 -8.1984 -8.1984 -8.1701 -8.1701 -8.1608 -8.1608 -8.1591 -8.1591 -8.1458 -8.1458 -5.1959 -5.1959 -3.4014 -3.4014 0.0593 0.0593 5.2007 5.2007 5.6104 5.6104 6.2045 6.2045 6.8341 6.8341 7.0135 7.0135 7.0747 7.0747 7.5562 7.5562 9.2254 9.2254 9.3586 9.3586 k = 0.0000 0.0000 0.0399 ( 3615 PWs) bands (ev): -8.6384 -8.6384 -8.6319 -8.6319 -8.6304 -8.6304 -8.6262 -8.6262 -8.2013 -8.2013 -8.1984 -8.1984 -8.1700 -8.1700 -8.1609 -8.1609 -8.1590 -8.1590 -8.1459 -8.1459 -5.1893 -5.1893 -3.4217 -3.4217 0.0931 0.0931 5.2065 5.2065 5.6165 5.6165 6.1226 6.1226 6.7421 6.7421 7.0206 7.0206 7.0608 7.0608 7.6946 7.6946 9.2379 9.2379 9.3713 9.3713 k = 0.0000 0.0000 0.0532 ( 3609 PWs) bands (ev): -8.6383 -8.6383 -8.6318 -8.6318 -8.6304 -8.6304 -8.6262 -8.6262 -8.2013 -8.2013 -8.1985 -8.1985 -8.1699 -8.1699 -8.1609 -8.1609 -8.1589 -8.1589 -8.1459 -8.1459 -5.1800 -5.1800 -3.4493 -3.4493 0.1396 0.1396 5.2146 5.2146 5.6250 5.6250 6.0074 6.0074 6.6652 6.6652 7.0306 7.0306 7.0416 7.0416 7.8347 7.8347 9.2555 9.2555 9.3889 9.3889 k = 0.0000 0.0000 0.0665 ( 3603 PWs) bands (ev): -8.6382 -8.6382 -8.6318 -8.6318 -8.6305 -8.6305 -8.6263 -8.6263 -8.2013 -8.2013 -8.1985 -8.1985 -8.1698 -8.1698 -8.1610 -8.1610 -8.1587 -8.1587 -8.1461 -8.1461 -5.1681 -5.1681 -3.4838 -3.4838 0.1984 0.1984 5.2250 5.2250 5.6358 5.6358 5.8655 5.8655 6.6031 6.6031 7.0175 7.0175 7.0434 7.0434 7.9677 7.9677 9.2781 9.2781 9.4110 9.4110 k = 0.0000 0.0000 0.0798 ( 3603 PWs) bands (ev): -8.6381 -8.6381 -8.6317 -8.6317 -8.6306 -8.6306 -8.6263 -8.6263 -8.2013 -8.2013 -8.1986 -8.1986 -8.1696 -8.1696 -8.1611 -8.1611 -8.1586 -8.1586 -8.1462 -8.1462 -5.1535 -5.1535 -3.5243 -3.5243 0.2685 0.2685 5.2377 5.2377 5.6491 5.6491 5.7050 5.7050 6.5509 6.5509 6.9888 6.9888 7.0590 7.0590 8.0871 8.0871 9.3057 9.3057 9.4374 9.4374 k = 0.0000 0.0000 0.0931 ( 3603 PWs) bands (ev): -8.6379 -8.6379 -8.6316 -8.6316 -8.6307 -8.6307 -8.6264 -8.6264 -8.2013 -8.2013 -8.1987 -8.1987 -8.1694 -8.1694 -8.1612 -8.1612 -8.1584 -8.1584 -8.1464 -8.1464 -5.1363 -5.1363 -3.5701 -3.5701 0.3493 0.3493 5.2527 5.2527 5.5326 5.5326 5.6647 5.6647 6.5040 6.5040 6.9561 6.9561 7.0775 7.0775 8.1874 8.1874 9.3377 9.3377 9.4677 9.4677 k = 0.0000 0.0000 0.1064 ( 3597 PWs) bands (ev): -8.6378 -8.6378 -8.6315 -8.6315 -8.6308 -8.6308 -8.6265 -8.6265 -8.2013 -8.2013 -8.1988 -8.1988 -8.1693 -8.1693 -8.1614 -8.1614 -8.1581 -8.1581 -8.1466 -8.1466 -5.1165 -5.1165 -3.6204 -3.6204 0.4399 0.4399 5.2698 5.2698 5.3527 5.3527 5.6826 5.6826 6.4595 6.4595 6.9197 6.9197 7.0987 7.0987 8.2643 8.2643 9.3735 9.3735 9.5017 9.5017 k = 0.0000 0.0000 0.1197 ( 3586 PWs) bands (ev): -8.6376 -8.6376 -8.6314 -8.6314 -8.6309 -8.6309 -8.6266 -8.6266 -8.2013 -8.2013 -8.1988 -8.1988 -8.1690 -8.1690 -8.1615 -8.1615 -8.1579 -8.1579 -8.1468 -8.1468 -5.0942 -5.0942 -3.6745 -3.6745 0.5397 0.5397 5.1680 5.1680 5.2892 5.2892 5.7029 5.7029 6.4155 6.4155 6.8801 6.8801 7.1228 7.1228 8.3157 8.3157 9.4120 9.4120 9.5389 9.5389 k = 0.0000 0.0000 0.1330 ( 3586 PWs) bands (ev): -8.6374 -8.6374 -8.6313 -8.6313 -8.6311 -8.6311 -8.6267 -8.6267 -8.2013 -8.2013 -8.1990 -8.1990 -8.1688 -8.1688 -8.1617 -8.1617 -8.1576 -8.1576 -8.1471 -8.1471 -5.0692 -5.0692 -3.7316 -3.7316 0.6477 0.6477 4.9805 4.9805 5.3107 5.3107 5.7254 5.7254 6.3713 6.3713 6.8378 6.8378 7.1497 7.1497 8.3418 8.3418 9.4525 9.4525 9.5792 9.5792 k = 0.0000 0.0000 0.1462 ( 3598 PWs) bands (ev): -8.6372 -8.6372 -8.6312 -8.6312 -8.6311 -8.6311 -8.6269 -8.6269 -8.2013 -8.2013 -8.1991 -8.1991 -8.1686 -8.1686 -8.1618 -8.1618 -8.1573 -8.1573 -8.1474 -8.1474 -5.0418 -5.0418 -3.7911 -3.7911 0.7634 0.7634 4.7912 4.7912 5.3344 5.3344 5.7501 5.7501 6.3265 6.3265 6.7931 6.7931 7.1793 7.1793 8.3453 8.3453 9.4945 9.4945 9.6222 9.6222 k = 0.0000 0.0000 0.1595 ( 3598 PWs) bands (ev): -8.6370 -8.6370 -8.6314 -8.6314 -8.6310 -8.6310 -8.6270 -8.6270 -8.2013 -8.2013 -8.1992 -8.1992 -8.1683 -8.1683 -8.1620 -8.1620 -8.1570 -8.1570 -8.1478 -8.1478 -5.0118 -5.0118 -3.8524 -3.8524 0.8862 0.8862 4.6010 4.6010 5.3601 5.3601 5.7771 5.7771 6.2808 6.2808 6.7465 6.7465 7.2117 7.2117 8.3301 8.3301 9.5383 9.5383 9.6677 9.6677 k = 0.0000 0.0000 0.1728 ( 3604 PWs) bands (ev): -8.6368 -8.6368 -8.6316 -8.6316 -8.6309 -8.6309 -8.6272 -8.6272 -8.2013 -8.2013 -8.1993 -8.1993 -8.1681 -8.1681 -8.1623 -8.1623 -8.1566 -8.1566 -8.1481 -8.1481 -4.9793 -4.9793 -3.9150 -3.9150 1.0154 1.0154 4.4106 4.4106 5.3879 5.3879 5.8062 5.8062 6.2343 6.2343 6.6984 6.6984 7.2467 7.2467 8.3004 8.3004 9.5838 9.5838 9.7154 9.7154 k = 0.0000 0.0000 0.1861 ( 3598 PWs) bands (ev): -8.6365 -8.6365 -8.6318 -8.6318 -8.6307 -8.6307 -8.6273 -8.6273 -8.2012 -8.2012 -8.1995 -8.1995 -8.1678 -8.1678 -8.1625 -8.1625 -8.1563 -8.1563 -8.1485 -8.1485 -4.9443 -4.9443 -3.9783 -3.9783 1.1505 1.1505 4.2205 4.2205 5.4177 5.4177 5.8374 5.8374 6.1872 6.1872 6.6491 6.6491 7.2845 7.2845 8.2597 8.2597 9.6311 9.6311 9.7651 9.7651 k = 0.0000 0.0000 0.1994 ( 3592 PWs) bands (ev): -8.6363 -8.6363 -8.6320 -8.6320 -8.6305 -8.6305 -8.6275 -8.6275 -8.2012 -8.2012 -8.1996 -8.1996 -8.1675 -8.1675 -8.1627 -8.1627 -8.1559 -8.1559 -8.1488 -8.1488 -4.9070 -4.9070 -4.0420 -4.0420 1.2911 1.2911 4.0310 4.0310 5.4493 5.4493 5.8706 5.8706 6.1395 6.1395 6.5990 6.5990 7.3249 7.3249 8.2111 8.2111 9.6804 9.6804 9.8167 9.8167 k = 0.0000 0.0000 0.2127 ( 3604 PWs) bands (ev): -8.6360 -8.6360 -8.6323 -8.6323 -8.6304 -8.6304 -8.6277 -8.6277 -8.2012 -8.2012 -8.1997 -8.1997 -8.1672 -8.1672 -8.1630 -8.1630 -8.1555 -8.1555 -8.1493 -8.1493 -4.8672 -4.8672 -4.1057 -4.1057 1.4368 1.4368 3.8424 3.8424 5.4829 5.4829 5.9058 5.9058 6.0916 6.0916 6.5484 6.5484 7.3679 7.3679 8.1570 8.1570 9.7314 9.7314 9.8700 9.8700 k = 0.0000 0.0000 0.2260 ( 3604 PWs) bands (ev): -8.6358 -8.6358 -8.6325 -8.6325 -8.6302 -8.6302 -8.6278 -8.6278 -8.2011 -8.2011 -8.1999 -8.1999 -8.1669 -8.1669 -8.1632 -8.1632 -8.1551 -8.1551 -8.1497 -8.1497 -4.8252 -4.8252 -4.1690 -4.1690 1.5871 1.5871 3.6551 3.6551 5.5182 5.5182 5.9428 5.9428 6.0435 6.0435 6.4975 6.4975 7.4133 7.4133 8.0991 8.0991 9.7842 9.7842 9.9248 9.9248 k = 0.0000 0.0000 0.2393 ( 3604 PWs) bands (ev): -8.6355 -8.6355 -8.6328 -8.6328 -8.6300 -8.6300 -8.6280 -8.6280 -8.2011 -8.2011 -8.2000 -8.2000 -8.1666 -8.1666 -8.1635 -8.1635 -8.1547 -8.1547 -8.1501 -8.1501 -4.7809 -4.7809 -4.2316 -4.2316 1.7418 1.7418 3.4693 3.4693 5.5552 5.5552 5.9817 5.9817 5.9954 5.9954 6.4466 6.4466 7.4613 7.4613 8.0390 8.0390 9.8385 9.8385 9.9810 9.9810 k = 0.0000 0.0000 0.2526 ( 3610 PWs) bands (ev): -8.6353 -8.6353 -8.6330 -8.6330 -8.6298 -8.6298 -8.6282 -8.6282 -8.2011 -8.2011 -8.2001 -8.2001 -8.1663 -8.1663 -8.1638 -8.1638 -8.1542 -8.1542 -8.1506 -8.1506 -4.7343 -4.7343 -4.2934 -4.2934 1.9005 1.9005 3.2852 3.2852 5.5938 5.5938 5.9476 5.9476 6.0223 6.0223 6.3960 6.3960 7.5116 7.5116 7.9776 7.9776 9.8942 9.8942 10.0386 10.0386 k = 0.0000 0.0000 0.2659 ( 3598 PWs) bands (ev): -8.6349 -8.6349 -8.6333 -8.6333 -8.6296 -8.6296 -8.6284 -8.6284 -8.2009 -8.2009 -8.2003 -8.2003 -8.1659 -8.1659 -8.1641 -8.1641 -8.1538 -8.1538 -8.1510 -8.1510 -4.6857 -4.6857 -4.3541 -4.3541 2.0630 2.0630 3.1030 3.1030 5.6339 5.6339 5.9002 5.9002 6.0646 6.0646 6.3459 6.3459 7.5641 7.5641 7.9157 7.9157 9.9513 9.9513 10.0974 10.0974 k = 0.0000 0.0000 0.2792 ( 3604 PWs) bands (ev): -8.6347 -8.6347 -8.6335 -8.6335 -8.6294 -8.6294 -8.6286 -8.6286 -8.2008 -8.2008 -8.2004 -8.2004 -8.1656 -8.1656 -8.1644 -8.1644 -8.1533 -8.1533 -8.1515 -8.1515 -4.6349 -4.6349 -4.4135 -4.4135 2.2290 2.2290 2.9230 2.9230 5.6755 5.6755 5.8535 5.8535 6.1084 6.1084 6.2964 6.2964 7.6187 7.6187 7.8541 7.8541 10.0096 10.0096 10.1572 10.1572 k = 0.0000 0.0000 0.2925 ( 3616 PWs) bands (ev): -8.6344 -8.6344 -8.6338 -8.6338 -8.6292 -8.6292 -8.6288 -8.6288 -8.2008 -8.2008 -8.2005 -8.2005 -8.1653 -8.1653 -8.1647 -8.1647 -8.1529 -8.1529 -8.1520 -8.1520 -4.5823 -4.5823 -4.4714 -4.4714 2.3982 2.3982 2.7454 2.7454 5.7183 5.7183 5.8075 5.8075 6.1536 6.1536 6.2477 6.2477 7.6752 7.6752 7.7932 7.7932 10.0689 10.0689 10.1901 10.1901 k = 0.0000 0.0000 0.3058 ( 3616 PWs) bands (ev): -8.6341 -8.6341 -8.6341 -8.6341 -8.6290 -8.6290 -8.6290 -8.6290 -8.2007 -8.2007 -8.2007 -8.2007 -8.1650 -8.1650 -8.1650 -8.1650 -8.1524 -8.1524 -8.1524 -8.1524 -4.5277 -4.5277 -4.5277 -4.5277 2.5704 2.5704 2.5704 2.5704 5.7624 5.7624 5.7624 5.7624 6.2001 6.2001 6.2001 6.2001 7.7335 7.7335 7.7335 7.7335 10.1291 10.1291 10.1291 10.1291 k = 0.0000 0.0000 0.3058 ( 3616 PWs) bands (ev): -8.6341 -8.6341 -8.6341 -8.6341 -8.6290 -8.6290 -8.6290 -8.6290 -8.2007 -8.2007 -8.2007 -8.2007 -8.1650 -8.1650 -8.1650 -8.1650 -8.1524 -8.1524 -8.1524 -8.1524 -4.5277 -4.5277 -4.5277 -4.5277 2.5704 2.5704 2.5704 2.5704 5.7624 5.7624 5.7624 5.7624 6.2001 6.2001 6.2001 6.2001 7.7335 7.7335 7.7335 7.7335 10.1291 10.1291 10.1291 10.1291 k = 0.0116 0.0067 0.3058 ( 3616 PWs) bands (ev): -8.6346 -8.6346 -8.6338 -8.6338 -8.6290 -8.6290 -8.6290 -8.6290 -8.2012 -8.2012 -8.2001 -8.2001 -8.1651 -8.1651 -8.1649 -8.1649 -8.1524 -8.1524 -8.1524 -8.1524 -4.5265 -4.5265 -4.5263 -4.5263 2.5665 2.5665 2.5729 2.5729 5.7382 5.7382 5.7691 5.7691 6.1885 6.1885 6.1892 6.1892 7.7357 7.7357 7.7646 7.7646 10.1291 10.1291 10.1305 10.1305 k = 0.0233 0.0134 0.3058 ( 3620 PWs) bands (ev): -8.6351 -8.6351 -8.6336 -8.6336 -8.6289 -8.6289 -8.6288 -8.6288 -8.2019 -8.2019 -8.1995 -8.1995 -8.1652 -8.1652 -8.1648 -8.1648 -8.1524 -8.1524 -8.1524 -8.1524 -4.5228 -4.5228 -4.5223 -4.5223 2.5612 2.5612 2.5740 2.5740 5.6959 5.6959 5.7585 5.7585 6.1553 6.1553 6.1602 6.1602 7.7702 7.7702 7.8252 7.8252 10.1287 10.1287 10.1319 10.1319 k = 0.0349 0.0201 0.3058 ( 3620 PWs) bands (ev): -8.6356 -8.6356 -8.6335 -8.6335 -8.6287 -8.6287 -8.6285 -8.6285 -8.2025 -8.2025 -8.1990 -8.1990 -8.1653 -8.1653 -8.1646 -8.1646 -8.1524 -8.1524 -8.1524 -8.1524 -4.5164 -4.5164 -4.5158 -4.5158 2.5544 2.5544 2.5735 2.5735 5.6351 5.6351 5.7296 5.7296 6.1060 6.1060 6.1197 6.1197 7.8322 7.8322 7.9089 7.9089 10.1244 10.1244 10.1296 10.1296 k = 0.0465 0.0269 0.3058 ( 3620 PWs) bands (ev): -8.6363 -8.6363 -8.6335 -8.6335 -8.6285 -8.6285 -8.6282 -8.6282 -8.2031 -8.2031 -8.1985 -8.1985 -8.1654 -8.1654 -8.1645 -8.1645 -8.1525 -8.1525 -8.1524 -8.1524 -4.5075 -4.5075 -4.5066 -4.5066 2.5458 2.5458 2.5714 2.5714 5.5567 5.5567 5.6811 5.6811 6.0487 6.0487 6.0735 6.0735 7.9144 7.9144 8.0084 8.0084 10.1135 10.1135 10.1206 10.1206 k = 0.0581 0.0336 0.3058 ( 3618 PWs) bands (ev): -8.6369 -8.6369 -8.6336 -8.6336 -8.6282 -8.6282 -8.6277 -8.6277 -8.2037 -8.2037 -8.1979 -8.1979 -8.1654 -8.1654 -8.1644 -8.1644 -8.1525 -8.1525 -8.1524 -8.1524 -4.4960 -4.4960 -4.4949 -4.4949 2.5351 2.5351 2.5673 2.5673 5.4632 5.4632 5.6127 5.6127 5.9907 5.9907 6.0254 6.0254 8.0094 8.0094 8.1166 8.1166 10.0970 10.0970 10.1057 10.1057 k = 0.0698 0.0403 0.3058 ( 3614 PWs) bands (ev): -8.6375 -8.6375 -8.6338 -8.6338 -8.6279 -8.6279 -8.6272 -8.6272 -8.2043 -8.2043 -8.1975 -8.1975 -8.1654 -8.1654 -8.1642 -8.1642 -8.1525 -8.1525 -8.1524 -8.1524 -4.4820 -4.4820 -4.4807 -4.4807 2.5221 2.5221 2.5609 2.5609 5.3582 5.3582 5.5266 5.5266 5.9355 5.9355 5.9766 5.9766 8.1101 8.1101 8.2275 8.2275 10.0787 10.0787 10.0892 10.0892 k = 0.0814 0.0470 0.3058 ( 3608 PWs) bands (ev): -8.6382 -8.6382 -8.6339 -8.6339 -8.6276 -8.6276 -8.6267 -8.6267 -8.2049 -8.2049 -8.1970 -8.1970 -8.1655 -8.1655 -8.1640 -8.1640 -8.1525 -8.1525 -8.1524 -8.1524 -4.4654 -4.4654 -4.4639 -4.4639 2.5064 2.5064 2.5517 2.5517 5.2455 5.2455 5.4275 5.4275 5.8833 5.8833 5.9275 5.9275 8.2105 8.2105 8.3351 8.3351 10.0633 10.0633 10.0760 10.0760 k = 0.0930 0.0537 0.3058 ( 3606 PWs) bands (ev): -8.6388 -8.6388 -8.6342 -8.6342 -8.6273 -8.6273 -8.6261 -8.6261 -8.2054 -8.2054 -8.1966 -8.1966 -8.1654 -8.1654 -8.1639 -8.1639 -8.1526 -8.1526 -8.1523 -8.1523 -4.4463 -4.4463 -4.4446 -4.4446 2.4873 2.4873 2.5392 2.5392 5.1288 5.1288 5.3204 5.3204 5.8328 5.8328 5.8778 5.8778 8.3048 8.3048 8.4340 8.4340 10.0551 10.0551 10.0714 10.0714 k = 0.1047 0.0604 0.3058 ( 3594 PWs) bands (ev): -8.6394 -8.6394 -8.6344 -8.6344 -8.6269 -8.6269 -8.6256 -8.6256 -8.2060 -8.2060 -8.1962 -8.1962 -8.1654 -8.1654 -8.1638 -8.1638 -8.1526 -8.1526 -8.1523 -8.1523 -4.4247 -4.4247 -4.4229 -4.4229 2.4645 2.4645 2.5228 2.5228 5.0110 5.0110 5.2097 5.2097 5.7829 5.7829 5.8273 5.8273 8.3879 8.3879 8.5187 8.5187 10.0584 10.0584 10.0799 10.0799 k = 0.1163 0.0671 0.3058 ( 3600 PWs) bands (ev): -8.6401 -8.6401 -8.6346 -8.6346 -8.6266 -8.6266 -8.6251 -8.6251 -8.2065 -8.2065 -8.1958 -8.1958 -8.1654 -8.1654 -8.1637 -8.1637 -8.1527 -8.1527 -8.1522 -8.1522 -4.4006 -4.4006 -4.3986 -4.3986 2.4372 2.4372 2.5016 2.5016 4.8948 4.8948 5.0990 5.0990 5.7327 5.7327 5.7758 5.7758 8.4554 8.4554 8.5850 8.5850 10.0764 10.0764 10.1055 10.1055 k = 0.1279 0.0738 0.3058 ( 3600 PWs) bands (ev): -8.6407 -8.6407 -8.6349 -8.6349 -8.6263 -8.6263 -8.6246 -8.6246 -8.2070 -8.2070 -8.1955 -8.1955 -8.1653 -8.1653 -8.1636 -8.1636 -8.1528 -8.1528 -8.1522 -8.1521 -4.3741 -4.3741 -4.3719 -4.3719 2.4047 2.4047 2.4749 2.4749 4.7825 4.7825 4.9909 4.9909 5.6818 5.6818 5.7235 5.7235 8.5042 8.5042 8.6300 8.6300 10.1108 10.1108 10.1496 10.1496 k = 0.1395 0.0806 0.3058 ( 3600 PWs) bands (ev): -8.6413 -8.6413 -8.6351 -8.6351 -8.6260 -8.6260 -8.6242 -8.6242 -8.2075 -8.2075 -8.1952 -8.1952 -8.1653 -8.1653 -8.1635 -8.1635 -8.1528 -8.1528 -8.1520 -8.1520 -4.3451 -4.3451 -4.3429 -4.3429 2.3666 2.3666 2.4418 2.4418 4.6760 4.6760 4.8874 4.8874 5.6303 5.6303 5.6703 5.6703 8.5333 8.5333 8.6533 8.6533 10.1607 10.1607 10.2111 10.2111 k = 0.1512 0.0873 0.3058 ( 3594 PWs) bands (ev): -8.6418 -8.6418 -8.6354 -8.6354 -8.6256 -8.6256 -8.6237 -8.6237 -8.2080 -8.2080 -8.1950 -8.1950 -8.1652 -8.1652 -8.1634 -8.1634 -8.1529 -8.1529 -8.1519 -8.1519 -4.3138 -4.3138 -4.3114 -4.3114 2.3220 2.3220 2.4016 2.4016 4.5768 4.5768 4.7904 4.7904 5.5780 5.5780 5.6166 5.6166 8.5436 8.5436 8.6566 8.6566 10.2228 10.2228 10.2855 10.2855 k = 0.1628 0.0940 0.3058 ( 3590 PWs) bands (ev): -8.6424 -8.6424 -8.6356 -8.6356 -8.6253 -8.6253 -8.6233 -8.6233 -8.2084 -8.2084 -8.1948 -8.1948 -8.1651 -8.1651 -8.1633 -8.1633 -8.1530 -8.1530 -8.1518 -8.1518 -4.2801 -4.2801 -4.2777 -4.2777 2.2706 2.2706 2.3534 2.3534 4.4865 4.4865 4.7009 4.7009 5.5253 5.5253 5.5625 5.5625 8.5372 8.5372 8.6430 8.6430 10.2910 10.2910 10.3654 10.3654 k = 0.1744 0.1007 0.3058 ( 3590 PWs) bands (ev): -8.6429 -8.6429 -8.6359 -8.6359 -8.6250 -8.6250 -8.6229 -8.6229 -8.2088 -8.2088 -8.1946 -8.1946 -8.1650 -8.1650 -8.1633 -8.1633 -8.1530 -8.1530 -8.1516 -8.1516 -4.2442 -4.2442 -4.2416 -4.2416 2.2119 2.2119 2.2967 2.2967 4.4061 4.4061 4.6202 4.6202 5.4723 5.4723 5.5083 5.5083 8.5173 8.5173 8.6163 8.6163 10.3574 10.3574 10.4416 10.4416 k = 0.1860 0.1074 0.3058 ( 3590 PWs) bands (ev): -8.6434 -8.6434 -8.6362 -8.6362 -8.6247 -8.6247 -8.6225 -8.6225 -8.2092 -8.2092 -8.1945 -8.1945 -8.1649 -8.1649 -8.1633 -8.1633 -8.1530 -8.1530 -8.1514 -8.1514 -4.2060 -4.2060 -4.2034 -4.2034 2.1457 2.1457 2.2312 2.2312 4.3363 4.3363 4.5486 4.5486 5.4193 5.4193 5.4543 5.4543 8.4869 8.4869 8.5797 8.5797 10.4129 10.4129 10.5033 10.5033 k = 0.1977 0.1141 0.3058 ( 3592 PWs) bands (ev): -8.6439 -8.6439 -8.6364 -8.6364 -8.6244 -8.6244 -8.6222 -8.6222 -8.2095 -8.2095 -8.1944 -8.1944 -8.1648 -8.1648 -8.1633 -8.1633 -8.1531 -8.1531 -8.1513 -8.1513 -4.1656 -4.1656 -4.1630 -4.1630 2.0721 2.0721 2.1570 2.1570 4.2773 4.2773 4.4867 4.4867 5.3665 5.3665 5.4006 5.4006 8.4488 8.4488 8.5362 8.5362 10.4491 10.4491 10.5409 10.5409 k = 0.2093 0.1208 0.3058 ( 3584 PWs) bands (ev): -8.6443 -8.6443 -8.6367 -8.6367 -8.6241 -8.6241 -8.6219 -8.6219 -8.2098 -8.2098 -8.1944 -8.1944 -8.1647 -8.1647 -8.1633 -8.1633 -8.1531 -8.1531 -8.1510 -8.1510 -4.1232 -4.1232 -4.1205 -4.1205 1.9913 1.9913 2.0744 2.0744 4.2291 4.2291 4.4344 4.4344 5.3143 5.3143 5.3475 5.3475 8.4051 8.4051 8.4878 8.4878 10.4602 10.4602 10.5487 10.5487 k = 0.2209 0.1276 0.3058 ( 3576 PWs) bands (ev): -8.6447 -8.6447 -8.6370 -8.6370 -8.6238 -8.6238 -8.6216 -8.6216 -8.2100 -8.2100 -8.1944 -8.1944 -8.1646 -8.1646 -8.1633 -8.1633 -8.1531 -8.1531 -8.1508 -8.1508 -4.0787 -4.0787 -4.0760 -4.0760 1.9038 1.9038 1.9841 1.9841 4.1913 4.1913 4.3914 4.3914 5.2627 5.2627 5.2954 5.2954 8.3577 8.3577 8.4364 8.4364 10.4453 10.4453 10.5271 10.5271 k = 0.2326 0.1343 0.3058 ( 3576 PWs) bands (ev): -8.6451 -8.6451 -8.6372 -8.6372 -8.6235 -8.6235 -8.6213 -8.6213 -8.2102 -8.2102 -8.1944 -8.1944 -8.1645 -8.1645 -8.1633 -8.1633 -8.1531 -8.1531 -8.1506 -8.1506 -4.0323 -4.0323 -4.0296 -4.0296 1.8103 1.8103 1.8869 1.8869 4.1632 4.1632 4.3573 4.3573 5.2122 5.2122 5.2443 5.2443 8.3080 8.3080 8.3833 8.3833 10.4071 10.4071 10.4809 10.4809 k = 0.2442 0.1410 0.3058 ( 3582 PWs) bands (ev): -8.6454 -8.6454 -8.6375 -8.6375 -8.6233 -8.6233 -8.6212 -8.6212 -8.2104 -8.2104 -8.1945 -8.1945 -8.1644 -8.1644 -8.1634 -8.1634 -8.1530 -8.1530 -8.1503 -8.1503 -3.9841 -3.9841 -3.9814 -3.9814 1.7116 1.7116 1.7840 1.7840 4.1438 4.1438 4.3313 4.3313 5.1628 5.1628 5.1944 5.1944 8.2571 8.2571 8.3293 8.3293 10.3507 10.3507 10.4165 10.4165 k = 0.2558 0.1477 0.3058 ( 3576 PWs) bands (ev): -8.6457 -8.6457 -8.6378 -8.6378 -8.6230 -8.6230 -8.6210 -8.6210 -8.2105 -8.2105 -8.1946 -8.1946 -8.1643 -8.1643 -8.1635 -8.1635 -8.1530 -8.1530 -8.1501 -8.1501 -3.9342 -3.9342 -3.9316 -3.9316 1.6085 1.6085 1.6763 1.6763 4.1322 4.1322 4.3128 4.3128 5.1148 5.1148 5.1461 5.1461 8.2059 8.2059 8.2753 8.2753 10.2812 10.2812 10.3398 10.3398 k = 0.2674 0.1544 0.3058 ( 3580 PWs) bands (ev): -8.6460 -8.6460 -8.6381 -8.6381 -8.6228 -8.6228 -8.6208 -8.6208 -8.2106 -8.2106 -8.1948 -8.1948 -8.1643 -8.1643 -8.1636 -8.1636 -8.1529 -8.1529 -8.1498 -8.1498 -3.8827 -3.8827 -3.8801 -3.8801 1.5020 1.5020 1.5650 1.5650 4.1275 4.1275 4.3010 4.3010 5.0684 5.0684 5.0993 5.0993 8.1549 8.1549 8.2218 8.2218 10.2027 10.2027 10.2549 10.2549 k = 0.2791 0.1611 0.3058 ( 3574 PWs) bands (ev): -8.6462 -8.6462 -8.6384 -8.6384 -8.6226 -8.6226 -8.6207 -8.6207 -8.2106 -8.2106 -8.1950 -8.1950 -8.1642 -8.1642 -8.1636 -8.1636 -8.1528 -8.1528 -8.1496 -8.1496 -3.8298 -3.8298 -3.8273 -3.8273 1.3929 1.3929 1.4512 1.4512 4.1287 4.1287 4.2949 4.2949 5.0237 5.0237 5.0544 5.0544 8.1047 8.1047 8.1694 8.1694 10.1185 10.1185 10.1652 10.1652 k = 0.2907 0.1678 0.3058 ( 3580 PWs) bands (ev): -8.6465 -8.6465 -8.6387 -8.6387 -8.6224 -8.6224 -8.6206 -8.6206 -8.2106 -8.2106 -8.1953 -8.1953 -8.1642 -8.1642 -8.1637 -8.1637 -8.1526 -8.1526 -8.1494 -8.1494 -3.7757 -3.7757 -3.7733 -3.7733 1.2822 1.2822 1.3358 1.3358 4.1347 4.1347 4.2938 4.2938 4.9809 4.9809 5.0115 5.0115 8.0557 8.0557 8.1183 8.1183 10.0312 10.0312 10.0730 10.0730 k = 0.3023 0.1745 0.3058 ( 3576 PWs) bands (ev): -8.6466 -8.6466 -8.6390 -8.6390 -8.6221 -8.6221 -8.6205 -8.6205 -8.2105 -8.2105 -8.1956 -8.1956 -8.1641 -8.1641 -8.1638 -8.1638 -8.1525 -8.1525 -8.1491 -8.1491 -3.7205 -3.7205 -3.7182 -3.7182 1.1707 1.1707 1.2198 1.2198 4.1449 4.1449 4.2968 4.2968 4.9403 4.9403 4.9707 4.9707 8.0083 8.0083 8.0688 8.0688 9.9424 9.9424 9.9799 9.9799 k = 0.3140 0.1813 0.3058 ( 3572 PWs) bands (ev): -8.6468 -8.6468 -8.6393 -8.6393 -8.6220 -8.6220 -8.6204 -8.6204 -8.2104 -8.2104 -8.1959 -8.1959 -8.1641 -8.1641 -8.1639 -8.1639 -8.1523 -8.1523 -8.1489 -8.1489 -3.6645 -3.6645 -3.6623 -3.6623 1.0593 1.0593 1.1041 1.1041 4.1584 4.1584 4.3031 4.3031 4.9020 4.9020 4.9322 4.9322 7.9627 7.9627 8.0212 8.0212 9.8537 9.8537 9.8874 9.8874 k = 0.3256 0.1880 0.3058 ( 3572 PWs) bands (ev): -8.6469 -8.6469 -8.6397 -8.6397 -8.6218 -8.6218 -8.6203 -8.6203 -8.2102 -8.2102 -8.1963 -8.1963 -8.1641 -8.1641 -8.1639 -8.1639 -8.1521 -8.1521 -8.1487 -8.1487 -3.6080 -3.6080 -3.6059 -3.6059 0.9487 0.9487 0.9894 0.9894 4.1743 4.1743 4.3120 4.3120 4.8662 4.8662 4.8962 4.8962 7.9192 7.9192 7.9756 7.9756 9.7663 9.7663 9.7963 9.7963 k = 0.3372 0.1947 0.3058 ( 3564 PWs) bands (ev): -8.6469 -8.6469 -8.6400 -8.6400 -8.6216 -8.6216 -8.6203 -8.6203 -8.2100 -8.2100 -8.1966 -8.1966 -8.1641 -8.1641 -8.1640 -8.1640 -8.1518 -8.1518 -8.1485 -8.1485 -3.5512 -3.5512 -3.5493 -3.5493 0.8398 0.8398 0.8766 0.8766 4.1922 4.1922 4.3227 4.3227 4.8330 4.8330 4.8627 4.8627 7.8779 7.8779 7.9321 7.9321 9.6809 9.6809 9.7077 9.7077 k = 0.3488 0.2014 0.3058 ( 3564 PWs) bands (ev): -8.6470 -8.6470 -8.6403 -8.6403 -8.6215 -8.6215 -8.6202 -8.6202 -8.2098 -8.2098 -8.1971 -8.1971 -8.1641 -8.1641 -8.1641 -8.1641 -8.1516 -8.1516 -8.1484 -8.1484 -3.4945 -3.4945 -3.4927 -3.4927 0.7332 0.7332 0.7664 0.7665 4.2112 4.2112 4.3345 4.3345 4.8027 4.8027 4.8319 4.8319 7.8389 7.8389 7.8910 7.8910 9.5984 9.5984 9.6222 9.6222 k = 0.3605 0.2081 0.3058 ( 3572 PWs) bands (ev): -8.6470 -8.6470 -8.6407 -8.6407 -8.6213 -8.6213 -8.6202 -8.6202 -8.2096 -8.2096 -8.1975 -8.1975 -8.1642 -8.1642 -8.1641 -8.1641 -8.1514 -8.1514 -8.1482 -8.1482 -3.4383 -3.4383 -3.4367 -3.4367 0.6297 0.6297 0.6596 0.6596 4.2309 4.2309 4.3466 4.3466 4.7755 4.7755 4.8040 4.8040 7.8025 7.8025 7.8521 7.8521 9.5195 9.5195 9.5405 9.5405 k = 0.3721 0.2148 0.3058 ( 3568 PWs) bands (ev): -8.6469 -8.6469 -8.6410 -8.6410 -8.6212 -8.6212 -8.6202 -8.6202 -8.2092 -8.2092 -8.1980 -8.1980 -8.1642 -8.1642 -8.1641 -8.1641 -8.1511 -8.1511 -8.1481 -8.1481 -3.3830 -3.3830 -3.3816 -3.3816 0.5301 0.5301 0.5568 0.5568 4.2505 4.2505 4.3584 4.3584 4.7517 4.7517 4.7790 4.7790 7.7688 7.7688 7.8158 7.8158 9.4447 9.4447 9.4632 9.4632 k = 0.3837 0.2215 0.3058 ( 3564 PWs) bands (ev): -8.6469 -8.6469 -8.6414 -8.6414 -8.6211 -8.6211 -8.6202 -8.6202 -8.2089 -8.2089 -8.1985 -8.1985 -8.1643 -8.1643 -8.1641 -8.1641 -8.1508 -8.1508 -8.1480 -8.1480 -3.3291 -3.3291 -3.3279 -3.3279 0.4351 0.4351 0.4589 0.4589 4.2697 4.2697 4.3693 4.3693 4.7313 4.7313 4.7571 4.7571 7.7379 7.7379 7.7820 7.7820 9.3746 9.3746 9.3907 9.3907 k = 0.3953 0.2283 0.3058 ( 3564 PWs) bands (ev): -8.6468 -8.6468 -8.6417 -8.6417 -8.6210 -8.6210 -8.6202 -8.6202 -8.2085 -8.2085 -8.1990 -8.1990 -8.1643 -8.1643 -8.1642 -8.1642 -8.1505 -8.1505 -8.1479 -8.1479 -3.2773 -3.2773 -3.2762 -3.2762 0.3455 0.3455 0.3665 0.3665 4.2878 4.2878 4.3785 4.3785 4.7145 4.7145 4.7384 4.7384 7.7098 7.7098 7.7508 7.7508 9.3097 9.3097 9.3235 9.3235 k = 0.4070 0.2350 0.3058 ( 3564 PWs) bands (ev): -8.6467 -8.6467 -8.6421 -8.6421 -8.6209 -8.6209 -8.6202 -8.6202 -8.2081 -8.2081 -8.1996 -8.1996 -8.1644 -8.1644 -8.1642 -8.1642 -8.1503 -8.1503 -8.1479 -8.1479 -3.2280 -3.2280 -3.2271 -3.2271 0.2621 0.2621 0.2805 0.2805 4.3046 4.3046 4.3858 4.3858 4.7014 4.7014 4.7228 4.7228 7.6848 7.6848 7.7223 7.7223 9.2504 9.2504 9.2621 9.2621 k = 0.4186 0.2417 0.3058 ( 3568 PWs) bands (ev): -8.6465 -8.6465 -8.6425 -8.6425 -8.6208 -8.6208 -8.6202 -8.6202 -8.2077 -8.2077 -8.2001 -8.2001 -8.1644 -8.1644 -8.1642 -8.1642 -8.1500 -8.1500 -8.1478 -8.1478 -3.1820 -3.1820 -3.1813 -3.1813 0.1859 0.1859 0.2017 0.2017 4.3197 4.3197 4.3909 4.3909 4.6917 4.6917 4.7102 4.7102 7.6628 7.6628 7.6965 7.6965 9.1971 9.1971 9.2069 9.2069 k = 0.4302 0.2484 0.3058 ( 3572 PWs) bands (ev): -8.6464 -8.6464 -8.6428 -8.6428 -8.6207 -8.6207 -8.6202 -8.6202 -8.2073 -8.2073 -8.2007 -8.2007 -8.1644 -8.1644 -8.1643 -8.1643 -8.1497 -8.1497 -8.1479 -8.1479 -3.1400 -3.1400 -3.1394 -3.1394 0.1175 0.1175 0.1309 0.1309 4.3330 4.3330 4.3938 4.3938 4.6852 4.6852 4.7005 4.7005 7.6439 7.6439 7.6736 7.6736 9.1502 9.1502 9.1582 9.1582 k = 0.4419 0.2551 0.3058 ( 3568 PWs) bands (ev): -8.6462 -8.6462 -8.6432 -8.6432 -8.6207 -8.6207 -8.6203 -8.6203 -8.2068 -8.2068 -8.2013 -8.2013 -8.1644 -8.1644 -8.1643 -8.1643 -8.1495 -8.1495 -8.1479 -8.1479 -3.1028 -3.1028 -3.1023 -3.1023 0.0579 0.0579 0.0690 0.0690 4.3444 4.3444 4.3946 4.3946 4.6813 4.6813 4.6933 4.6933 7.6283 7.6283 7.6536 7.6536 9.1100 9.1100 9.1164 9.1164 k = 0.4535 0.2618 0.3058 ( 3564 PWs) bands (ev): -8.6459 -8.6459 -8.6435 -8.6435 -8.6206 -8.6206 -8.6203 -8.6203 -8.2063 -8.2063 -8.2018 -8.2018 -8.1644 -8.1644 -8.1643 -8.1643 -8.1492 -8.1492 -8.1479 -8.1479 -3.0711 -3.0711 -3.0707 -3.0707 0.0080 0.0080 0.0167 0.0167 4.3540 4.3540 4.3937 4.3937 4.6793 4.6793 4.6883 4.6883 7.6159 7.6159 7.6366 7.6366 9.0768 9.0768 9.0818 9.0818 k = 0.4651 0.2685 0.3058 ( 3556 PWs) bands (ev): -8.6457 -8.6457 -8.6439 -8.6439 -8.6205 -8.6205 -8.6203 -8.6203 -8.2057 -8.2057 -8.2024 -8.2024 -8.1644 -8.1644 -8.1643 -8.1643 -8.1490 -8.1490 -8.1480 -8.1480 -3.0455 -3.0455 -3.0453 -3.0453 -0.0316 -0.0316 -0.0251 -0.0251 4.3621 4.3621 4.3916 4.3916 4.6787 4.6787 4.6849 4.6849 7.6069 7.6069 7.6226 7.6226 9.0508 9.0508 9.0544 9.0544 k = 0.4767 0.2752 0.3058 ( 3556 PWs) bands (ev): -8.6454 -8.6454 -8.6442 -8.6442 -8.6205 -8.6205 -8.6203 -8.6203 -8.2052 -8.2052 -8.2030 -8.2030 -8.1644 -8.1644 -8.1644 -8.1644 -8.1487 -8.1487 -8.1481 -8.1481 -3.0267 -3.0267 -3.0266 -3.0266 -0.0601 -0.0601 -0.0557 -0.0557 4.3690 4.3690 4.3884 4.3884 4.6789 4.6789 4.6828 4.6828 7.6012 7.6012 7.6118 7.6118 9.0323 9.0323 9.0346 9.0346 k = 0.4884 0.2820 0.3058 ( 3552 PWs) bands (ev): -8.6451 -8.6451 -8.6445 -8.6445 -8.6204 -8.6204 -8.6203 -8.6203 -8.2047 -8.2047 -8.2035 -8.2035 -8.1644 -8.1644 -8.1644 -8.1644 -8.1485 -8.1485 -8.1482 -8.1482 -3.0153 -3.0153 -3.0152 -3.0152 -0.0770 -0.0770 -0.0748 -0.0748 4.3749 4.3749 4.3845 4.3845 4.6794 4.6794 4.6813 4.6813 7.5989 7.5989 7.6042 7.6042 9.0213 9.0213 9.0225 9.0225 k = 0.5000 0.2887 0.3058 ( 3540 PWs) bands (ev): -8.6448 -8.6448 -8.6448 -8.6448 -8.6204 -8.6204 -8.6204 -8.6204 -8.2041 -8.2041 -8.2041 -8.2041 -8.1644 -8.1644 -8.1644 -8.1644 -8.1483 -8.1483 -8.1483 -8.1483 -3.0114 -3.0114 -3.0114 -3.0114 -0.0819 -0.0819 -0.0819 -0.0819 4.3800 4.3800 4.3800 4.3800 4.6803 4.6803 4.6803 4.6803 7.5999 7.5999 7.5999 7.5999 9.0180 9.0180 9.0180 9.0180 k = 0.5000 0.2887 0.3058 ( 3540 PWs) bands (ev): -8.6448 -8.6448 -8.6448 -8.6448 -8.6204 -8.6204 -8.6204 -8.6204 -8.2041 -8.2041 -8.2041 -8.2041 -8.1644 -8.1644 -8.1644 -8.1644 -8.1483 -8.1483 -8.1483 -8.1483 -3.0114 -3.0114 -3.0114 -3.0114 -0.0819 -0.0819 -0.0819 -0.0819 4.3800 4.3800 4.3800 4.3800 4.6803 4.6803 4.6803 4.6803 7.5999 7.5999 7.5999 7.5999 9.0180 9.0180 9.0180 9.0180 k = 0.4933 0.3002 0.3058 ( 3548 PWs) bands (ev): -8.6456 -8.6456 -8.6441 -8.6441 -8.6207 -8.6207 -8.6200 -8.6200 -8.2051 -8.2051 -8.2031 -8.2031 -8.1645 -8.1645 -8.1642 -8.1642 -8.1486 -8.1486 -8.1481 -8.1481 -3.0106 -3.0106 -3.0104 -3.0104 -0.0843 -0.0843 -0.0794 -0.0794 4.3362 4.3362 4.4087 4.4087 4.6436 4.6436 4.7162 4.7162 7.6000 7.6000 7.6169 7.6169 9.0200 9.0200 9.0259 9.0259 k = 0.4867 0.3118 0.3058 ( 3556 PWs) bands (ev): -8.6464 -8.6464 -8.6434 -8.6434 -8.6211 -8.6211 -8.6196 -8.6196 -8.2061 -8.2061 -8.2022 -8.2022 -8.1647 -8.1647 -8.1641 -8.1641 -8.1490 -8.1490 -8.1478 -8.1478 -3.0081 -3.0081 -3.0075 -3.0075 -0.0867 -0.0867 -0.0767 -0.0767 4.2811 4.2811 4.4137 4.4137 4.6154 4.6154 4.7476 4.7476 7.6170 7.6170 7.6499 7.6499 9.0319 9.0319 9.0437 9.0437 k = 0.4800 0.3233 0.3058 ( 3564 PWs) bands (ev): -8.6471 -8.6471 -8.6427 -8.6427 -8.6214 -8.6214 -8.6192 -8.6192 -8.2071 -8.2071 -8.2012 -8.2012 -8.1648 -8.1648 -8.1639 -8.1639 -8.1493 -8.1493 -8.1476 -8.1476 -3.0037 -3.0037 -3.0029 -3.0029 -0.0889 -0.0889 -0.0740 -0.0740 4.2164 4.2164 4.3856 4.3856 4.6066 4.6066 4.7737 4.7737 7.6494 7.6494 7.6970 7.6970 9.0543 9.0543 9.0722 9.0722 k = 0.4733 0.3349 0.3058 ( 3568 PWs) bands (ev): -8.6479 -8.6479 -8.6420 -8.6420 -8.6217 -8.6217 -8.6188 -8.6188 -8.2081 -8.2081 -8.2003 -8.2003 -8.1649 -8.1649 -8.1637 -8.1637 -8.1496 -8.1496 -8.1474 -8.1474 -2.9976 -2.9976 -2.9966 -2.9966 -0.0912 -0.0912 -0.0712 -0.0712 4.1432 4.1432 4.3285 4.3285 4.6149 4.6149 4.7951 4.7951 7.6947 7.6947 7.7550 7.7550 9.0882 9.0882 9.1124 9.1124 k = 0.4667 0.3464 0.3058 ( 3556 PWs) bands (ev): -8.6486 -8.6486 -8.6413 -8.6413 -8.6220 -8.6220 -8.6183 -8.6183 -8.2090 -8.2090 -8.1994 -8.1994 -8.1650 -8.1650 -8.1635 -8.1635 -8.1499 -8.1499 -8.1471 -8.1471 -2.9898 -2.9898 -2.9885 -2.9885 -0.0935 -0.0935 -0.0685 -0.0685 4.0627 4.0627 4.2538 4.2538 4.6311 4.6311 4.8128 4.8128 7.7497 7.7497 7.8204 7.8204 9.1349 9.1349 9.1654 9.1654 k = 0.4600 0.3580 0.3058 ( 3568 PWs) bands (ev): -8.6494 -8.6494 -8.6408 -8.6408 -8.6223 -8.6223 -8.6179 -8.6179 -8.2100 -8.2100 -8.1986 -8.1986 -8.1651 -8.1651 -8.1633 -8.1633 -8.1503 -8.1503 -8.1470 -8.1470 -2.9804 -2.9804 -2.9788 -2.9788 -0.0959 -0.0959 -0.0658 -0.0658 3.9759 3.9759 4.1689 4.1689 4.6500 4.6500 4.8279 4.8279 7.8106 7.8106 7.8894 7.8894 9.1956 9.1956 9.2327 9.2327 k = 0.4533 0.3695 0.3058 ( 3562 PWs) bands (ev): -8.6500 -8.6500 -8.6402 -8.6402 -8.6225 -8.6225 -8.6175 -8.6175 -8.2109 -8.2109 -8.1978 -8.1978 -8.1651 -8.1651 -8.1630 -8.1630 -8.1506 -8.1506 -8.1468 -8.1468 -2.9693 -2.9693 -2.9675 -2.9675 -0.0986 -0.0986 -0.0634 -0.0634 3.8845 3.8845 4.0779 4.0779 4.6696 4.6696 4.8412 4.8412 7.8738 7.8738 7.9583 7.9583 9.2719 9.2719 9.3155 9.3155 k = 0.4467 0.3811 0.3058 ( 3566 PWs) bands (ev): -8.6507 -8.6507 -8.6396 -8.6396 -8.6227 -8.6227 -8.6170 -8.6170 -8.2118 -8.2118 -8.1971 -8.1971 -8.1651 -8.1651 -8.1627 -8.1627 -8.1510 -8.1510 -8.1466 -8.1466 -2.9568 -2.9568 -2.9547 -2.9547 -0.1016 -0.1016 -0.0612 -0.0612 3.7897 3.7897 3.9834 3.9834 4.6892 4.6892 4.8535 4.8535 7.9362 7.9362 8.0239 8.0239 9.3648 9.3648 9.4149 9.4149 k = 0.4400 0.3926 0.3058 ( 3574 PWs) bands (ev): -8.6514 -8.6514 -8.6391 -8.6391 -8.6229 -8.6229 -8.6166 -8.6166 -8.2127 -8.2127 -8.1964 -8.1964 -8.1652 -8.1652 -8.1625 -8.1625 -8.1514 -8.1514 -8.1464 -8.1464 -2.9429 -2.9429 -2.9406 -2.9406 -0.1051 -0.1051 -0.0595 -0.0595 3.6933 3.6933 3.8874 3.8874 4.7086 4.7086 4.8652 4.8652 7.9949 7.9949 8.0840 8.0840 9.4746 9.4746 9.5312 9.5312 k = 0.4333 0.4041 0.3058 ( 3570 PWs) bands (ev): -8.6520 -8.6520 -8.6387 -8.6387 -8.6231 -8.6231 -8.6161 -8.6161 -8.2135 -8.2135 -8.1958 -8.1958 -8.1652 -8.1652 -8.1622 -8.1622 -8.1517 -8.1517 -8.1463 -8.1463 -2.9277 -2.9277 -2.9251 -2.9251 -0.1092 -0.1092 -0.0584 -0.0584 3.5965 3.5965 3.7916 3.7916 4.7277 4.7277 4.8769 4.8769 8.0483 8.0483 8.1372 8.1372 9.6011 9.6011 9.6640 9.6640 k = 0.4267 0.4157 0.3058 ( 3566 PWs) bands (ev): -8.6526 -8.6526 -8.6382 -8.6382 -8.6233 -8.6233 -8.6157 -8.6157 -8.2143 -8.2143 -8.1952 -8.1952 -8.1651 -8.1651 -8.1619 -8.1619 -8.1521 -8.1521 -8.1461 -8.1461 -2.9114 -2.9114 -2.9086 -2.9086 -0.1140 -0.1140 -0.0579 -0.0579 3.5006 3.5006 3.6971 3.6971 4.7465 4.7465 4.8886 4.8886 8.0955 8.0955 8.1830 8.1830 9.7432 9.7432 9.8123 9.8123 k = 0.4200 0.4272 0.3058 ( 3562 PWs) bands (ev): -8.6532 -8.6532 -8.6378 -8.6378 -8.6234 -8.6234 -8.6152 -8.6152 -8.2150 -8.2150 -8.1946 -8.1946 -8.1651 -8.1651 -8.1616 -8.1616 -8.1525 -8.1525 -8.1460 -8.1460 -2.8941 -2.8941 -2.8910 -2.8910 -0.1196 -0.1196 -0.0583 -0.0583 3.4070 3.4070 3.6053 3.6053 4.7650 4.7650 4.9005 4.9005 8.1361 8.1361 8.2217 8.2217 9.8993 9.8993 9.9743 9.9743 k = 0.4133 0.4388 0.3058 ( 3558 PWs) bands (ev): -8.6537 -8.6537 -8.6375 -8.6375 -8.6235 -8.6235 -8.6148 -8.6148 -8.2156 -8.2156 -8.1942 -8.1942 -8.1651 -8.1651 -8.1612 -8.1612 -8.1528 -8.1528 -8.1458 -8.1458 -2.8760 -2.8760 -2.8727 -2.8727 -0.1260 -0.1260 -0.0597 -0.0597 3.3168 3.3168 3.5172 3.5172 4.7832 4.7832 4.9126 4.9126 8.1703 8.1703 8.2536 8.2536 10.0671 10.0671 10.1478 10.1478 k = 0.4067 0.4503 0.3058 ( 3562 PWs) bands (ev): -8.6542 -8.6542 -8.6372 -8.6372 -8.6236 -8.6236 -8.6144 -8.6144 -8.2163 -8.2163 -8.1937 -8.1937 -8.1650 -8.1650 -8.1609 -8.1609 -8.1532 -8.1532 -8.1457 -8.1457 -2.8574 -2.8574 -2.8538 -2.8538 -0.1334 -0.1334 -0.0622 -0.0622 3.2309 3.2309 3.4336 3.4336 4.8010 4.8010 4.9249 4.9249 8.1986 8.1986 8.2795 8.2795 10.2439 10.2439 10.3299 10.3299 k = 0.4000 0.4619 0.3058 ( 3554 PWs) bands (ev): -8.6546 -8.6546 -8.6369 -8.6369 -8.6237 -8.6237 -8.6140 -8.6140 -8.2168 -8.2168 -8.1934 -8.1934 -8.1650 -8.1650 -8.1606 -8.1606 -8.1536 -8.1536 -8.1456 -8.1456 -2.8385 -2.8385 -2.8346 -2.8346 -0.1418 -0.1418 -0.0657 -0.0657 3.1502 3.1502 3.3554 3.3554 4.8182 4.8182 4.9371 4.9371 8.2214 8.2214 8.3001 8.3001 10.4258 10.4258 10.5162 10.5162 k = 0.3933 0.4734 0.3058 ( 3566 PWs) bands (ev): -8.6550 -8.6550 -8.6367 -8.6367 -8.6238 -8.6238 -8.6137 -8.6137 -8.2173 -8.2173 -8.1931 -8.1931 -8.1650 -8.1650 -8.1603 -8.1603 -8.1540 -8.1540 -8.1455 -8.1455 -2.8195 -2.8195 -2.8154 -2.8154 -0.1510 -0.1510 -0.0704 -0.0704 3.0755 3.0755 3.2832 3.2832 4.8348 4.8348 4.9493 4.9493 8.2395 8.2395 8.3161 8.3161 10.6058 10.6058 10.6979 10.6979 k = 0.3867 0.4850 0.3058 ( 3562 PWs) bands (ev): -8.6554 -8.6554 -8.6365 -8.6365 -8.6239 -8.6239 -8.6133 -8.6133 -8.2178 -8.2178 -8.1928 -8.1928 -8.1649 -8.1649 -8.1599 -8.1599 -8.1544 -8.1544 -8.1455 -8.1455 -2.8008 -2.8008 -2.7964 -2.7964 -0.1610 -0.1610 -0.0762 -0.0762 3.0075 3.0075 3.2176 3.2176 4.8506 4.8506 4.9611 4.9611 8.2532 8.2532 8.3280 8.3280 10.7662 10.7662 10.8539 10.8539 k = 0.3800 0.4965 0.3058 ( 3570 PWs) bands (ev): -8.6557 -8.6557 -8.6364 -8.6364 -8.6239 -8.6239 -8.6130 -8.6130 -8.2182 -8.2182 -8.1926 -8.1926 -8.1649 -8.1649 -8.1596 -8.1596 -8.1547 -8.1547 -8.1454 -8.1454 -2.7827 -2.7827 -2.7780 -2.7780 -0.1715 -0.1715 -0.0829 -0.0829 2.9467 2.9467 3.1591 3.1591 4.8654 4.8654 4.9725 4.9725 8.2631 8.2631 8.3363 8.3363 10.8626 10.8626 10.9505 10.9505 k = 0.3733 0.5081 0.3058 ( 3582 PWs) bands (ev): -8.6560 -8.6560 -8.6363 -8.6363 -8.6240 -8.6240 -8.6128 -8.6128 -8.2186 -8.2186 -8.1925 -8.1925 -8.1649 -8.1649 -8.1593 -8.1593 -8.1551 -8.1551 -8.1454 -8.1454 -2.7656 -2.7656 -2.7606 -2.7606 -0.1824 -0.1824 -0.0903 -0.0903 2.8937 2.8937 3.1081 3.1081 4.8789 4.8789 4.9831 4.9831 8.2699 8.2699 8.3416 8.3416 10.8776 10.8776 10.9797 10.9797 k = 0.3667 0.5196 0.3058 ( 3586 PWs) bands (ev): -8.6563 -8.6563 -8.6362 -8.6362 -8.6240 -8.6240 -8.6126 -8.6126 -8.2188 -8.2188 -8.1923 -8.1923 -8.1648 -8.1648 -8.1590 -8.1590 -8.1554 -8.1554 -8.1453 -8.1453 -2.7498 -2.7498 -2.7446 -2.7446 -0.1931 -0.1931 -0.0982 -0.0982 2.8486 2.8486 3.0648 3.0648 4.8910 4.8910 4.9928 4.9928 8.2740 8.2740 8.3445 8.3445 10.8599 10.8599 10.9692 10.9692 k = 0.3600 0.5312 0.3058 ( 3590 PWs) bands (ev): -8.6565 -8.6565 -8.6362 -8.6362 -8.6241 -8.6241 -8.6124 -8.6124 -8.2191 -8.2191 -8.1923 -8.1923 -8.1648 -8.1648 -8.1587 -8.1587 -8.1557 -8.1557 -8.1453 -8.1453 -2.7359 -2.7359 -2.7305 -2.7305 -0.2033 -0.2033 -0.1060 -0.1060 2.8118 2.8118 3.0295 3.0295 4.9015 4.9015 5.0013 5.0013 8.2759 8.2759 8.3455 8.3455 10.8362 10.8362 10.9482 10.9482 k = 0.3533 0.5427 0.3058 ( 3594 PWs) bands (ev): -8.6566 -8.6566 -8.6361 -8.6361 -8.6241 -8.6241 -8.6123 -8.6123 -8.2192 -8.2192 -8.1922 -8.1922 -8.1648 -8.1648 -8.1585 -8.1585 -8.1560 -8.1560 -8.1452 -8.1452 -2.7243 -2.7243 -2.7186 -2.7186 -0.2124 -0.2124 -0.1132 -0.1132 2.7833 2.7833 3.0021 3.0021 4.9100 4.9100 5.0084 5.0084 8.2764 8.2764 8.3451 8.3451 10.8149 10.8149 10.9280 10.9280 k = 0.3467 0.5543 0.3058 ( 3594 PWs) bands (ev): -8.6567 -8.6567 -8.6361 -8.6361 -8.6241 -8.6241 -8.6122 -8.6122 -8.2194 -8.2194 -8.1921 -8.1921 -8.1648 -8.1648 -8.1583 -8.1583 -8.1562 -8.1562 -8.1452 -8.1452 -2.7155 -2.7155 -2.7096 -2.7096 -0.2198 -0.2198 -0.1192 -0.1192 2.7631 2.7632 2.9827 2.9827 4.9164 4.9164 5.0137 5.0137 8.2759 8.2759 8.3440 8.3440 10.7989 10.7989 10.9126 10.9126 k = 0.3400 0.5658 0.3058 ( 3598 PWs) bands (ev): -8.6568 -8.6568 -8.6361 -8.6361 -8.6241 -8.6241 -8.6121 -8.6121 -8.2194 -8.2194 -8.1921 -8.1921 -8.1648 -8.1648 -8.1582 -8.1582 -8.1563 -8.1563 -8.1452 -8.1452 -2.7098 -2.7098 -2.7039 -2.7039 -0.2247 -0.2247 -0.1233 -0.1233 2.7512 2.7512 2.9712 2.9712 4.9204 4.9204 5.0170 5.0170 8.2751 8.2751 8.3428 8.3428 10.7892 10.7892 10.9031 10.9031 k = 0.3333 0.5774 0.3058 ( 3600 PWs) bands (ev): -8.6568 -8.6568 -8.6361 -8.6361 -8.6241 -8.6241 -8.6121 -8.6121 -8.2195 -8.2195 -8.1921 -8.1921 -8.1648 -8.1648 -8.1581 -8.1581 -8.1564 -8.1564 -8.1452 -8.1452 -2.7078 -2.7078 -2.7018 -2.7018 -0.2265 -0.2265 -0.1249 -0.1249 2.7473 2.7473 2.9674 2.9674 4.9217 4.9217 5.0182 5.0182 8.2747 8.2747 8.3423 8.3423 10.7860 10.7860 10.8999 10.8999 k = 0.3333 0.5774 0.3058 ( 3600 PWs) bands (ev): -8.6568 -8.6568 -8.6361 -8.6361 -8.6241 -8.6241 -8.6121 -8.6121 -8.2195 -8.2195 -8.1921 -8.1921 -8.1648 -8.1648 -8.1581 -8.1581 -8.1564 -8.1564 -8.1452 -8.1452 -2.7078 -2.7078 -2.7018 -2.7018 -0.2265 -0.2265 -0.1249 -0.1249 2.7473 2.7473 2.9674 2.9674 4.9217 4.9217 5.0182 5.0182 8.2747 8.2747 8.3423 8.3423 10.7860 10.7860 10.8999 10.8999 k = 0.3267 0.5658 0.3058 ( 3598 PWs) bands (ev): -8.6568 -8.6568 -8.6361 -8.6361 -8.6241 -8.6241 -8.6121 -8.6121 -8.2194 -8.2194 -8.1921 -8.1921 -8.1648 -8.1648 -8.1582 -8.1582 -8.1563 -8.1563 -8.1452 -8.1452 -2.7099 -2.7099 -2.7040 -2.7040 -0.2245 -0.2245 -0.1231 -0.1231 2.7511 2.7511 2.9711 2.9711 4.9203 4.9203 5.0170 5.0170 8.2753 8.2753 8.3430 8.3430 10.7891 10.7891 10.9030 10.9030 k = 0.3200 0.5543 0.3058 ( 3594 PWs) bands (ev): -8.6567 -8.6567 -8.6361 -8.6361 -8.6241 -8.6241 -8.6122 -8.6122 -8.2194 -8.2194 -8.1921 -8.1921 -8.1648 -8.1648 -8.1583 -8.1583 -8.1562 -8.1562 -8.1452 -8.1452 -2.7165 -2.7165 -2.7106 -2.7106 -0.2179 -0.2179 -0.1173 -0.1173 2.7624 2.7624 2.9821 2.9821 4.9159 4.9159 5.0132 5.0132 8.2776 8.2776 8.3457 8.3457 10.7982 10.7982 10.9118 10.9118 k = 0.3133 0.5427 0.3058 ( 3586 PWs) bands (ev): -8.6566 -8.6566 -8.6361 -8.6361 -8.6241 -8.6241 -8.6123 -8.6123 -8.2193 -8.2193 -8.1921 -8.1921 -8.1648 -8.1648 -8.1584 -8.1584 -8.1561 -8.1561 -8.1452 -8.1452 -2.7277 -2.7277 -2.7221 -2.7221 -0.2063 -0.2063 -0.1068 -0.1068 2.7808 2.7808 3.0000 3.0000 4.9085 4.9085 5.0066 5.0066 8.2819 8.2819 8.3509 8.3509 10.8127 10.8127 10.9258 10.9258 k = 0.3067 0.5312 0.3058 ( 3578 PWs) bands (ev): -8.6565 -8.6565 -8.6361 -8.6361 -8.6241 -8.6241 -8.6124 -8.6124 -8.2191 -8.2191 -8.1922 -8.1922 -8.1648 -8.1648 -8.1585 -8.1585 -8.1559 -8.1559 -8.1452 -8.1452 -2.7438 -2.7438 -2.7384 -2.7384 -0.1892 -0.1892 -0.0910 -0.0910 2.8060 2.8060 3.0245 3.0245 4.8979 4.8979 4.9972 4.9972 8.2890 8.2890 8.3592 8.3592 10.8318 10.8318 10.9441 10.9441 k = 0.3000 0.5196 0.3058 ( 3574 PWs) bands (ev): -8.6563 -8.6563 -8.6361 -8.6361 -8.6240 -8.6240 -8.6125 -8.6125 -8.2189 -8.2189 -8.1922 -8.1922 -8.1648 -8.1648 -8.1586 -8.1586 -8.1558 -8.1558 -8.1453 -8.1453 -2.7649 -2.7649 -2.7598 -2.7598 -0.1660 -0.1660 -0.0695 -0.0695 2.8375 2.8375 3.0553 3.0553 4.8842 4.8842 4.9849 4.9849 8.2991 8.2991 8.3709 8.3709 10.8547 10.8547 10.9656 10.9656 k = 0.2933 0.5081 0.3058 ( 3570 PWs) bands (ev): -8.6561 -8.6561 -8.6361 -8.6361 -8.6240 -8.6240 -8.6127 -8.6127 -8.2187 -8.2187 -8.1922 -8.1922 -8.1648 -8.1648 -8.1588 -8.1588 -8.1557 -8.1557 -8.1454 -8.1454 -2.7909 -2.7909 -2.7862 -2.7862 -0.1367 -0.1367 -0.0420 -0.0420 2.8750 2.8750 3.0921 3.0921 4.8674 4.8674 4.9698 4.9698 8.3127 8.3127 8.3865 8.3865 10.8801 10.8801 10.9886 10.9886 k = 0.2867 0.4965 0.3058 ( 3566 PWs) bands (ev): -8.6558 -8.6558 -8.6362 -8.6362 -8.6240 -8.6240 -8.6129 -8.6129 -8.2185 -8.2185 -8.1923 -8.1923 -8.1649 -8.1649 -8.1589 -8.1589 -8.1556 -8.1556 -8.1454 -8.1454 -2.8217 -2.8217 -2.8173 -2.8173 -0.1009 -0.1009 -0.0083 -0.0083 2.9181 2.9181 3.1345 3.1345 4.8476 4.8476 4.9518 4.9518 8.3300 8.3300 8.4061 8.4061 10.9066 10.9066 11.0110 11.0110 k = 0.2800 0.4850 0.3058 ( 3566 PWs) bands (ev): -8.6556 -8.6556 -8.6362 -8.6362 -8.6240 -8.6240 -8.6132 -8.6132 -8.2183 -8.2183 -8.1923 -8.1923 -8.1649 -8.1649 -8.1590 -8.1590 -8.1555 -8.1555 -8.1455 -8.1455 -2.8571 -2.8571 -2.8530 -2.8530 -0.0588 -0.0588 0.0316 0.0316 2.9663 2.9663 3.1822 3.1822 4.8249 4.8249 4.9312 4.9312 8.3511 8.3511 8.4300 8.4300 10.9317 10.9317 11.0295 11.0295 k = 0.2733 0.4734 0.3058 ( 3572 PWs) bands (ev): -8.6553 -8.6553 -8.6363 -8.6363 -8.6239 -8.6239 -8.6135 -8.6135 -8.2180 -8.2180 -8.1923 -8.1923 -8.1650 -8.1650 -8.1591 -8.1591 -8.1554 -8.1554 -8.1456 -8.1456 -2.8967 -2.8967 -2.8929 -2.8929 -0.0104 -0.0104 0.0779 0.0779 3.0195 3.0195 3.2348 3.2348 4.7997 4.7997 4.9080 4.9080 8.3762 8.3762 8.4582 8.4582 10.9519 10.9519 11.0394 11.0394 k = 0.2667 0.4619 0.3058 ( 3576 PWs) bands (ev): -8.6550 -8.6550 -8.6363 -8.6363 -8.6239 -8.6239 -8.6137 -8.6137 -8.2178 -8.2178 -8.1924 -8.1924 -8.1650 -8.1650 -8.1593 -8.1593 -8.1554 -8.1554 -8.1457 -8.1457 -2.9401 -2.9401 -2.9366 -2.9366 0.0441 0.0441 0.1303 0.1303 3.0771 3.0771 3.2922 3.2922 4.7721 4.7721 4.8826 4.8826 8.4051 8.4051 8.4907 8.4907 10.9611 10.9611 11.0361 11.0361 k = 0.2600 0.4503 0.3058 ( 3572 PWs) bands (ev): -8.6547 -8.6547 -8.6364 -8.6364 -8.6239 -8.6239 -8.6140 -8.6140 -8.2175 -8.2175 -8.1924 -8.1924 -8.1651 -8.1651 -8.1593 -8.1593 -8.1553 -8.1553 -8.1459 -8.1459 -2.9870 -2.9870 -2.9837 -2.9837 0.1045 0.1045 0.1886 0.1886 3.1389 3.1389 3.3538 3.3538 4.7424 4.7424 4.8553 4.8553 8.4377 8.4377 8.5272 8.5272 10.9500 10.9500 11.0183 11.0183 k = 0.2533 0.4388 0.3058 ( 3570 PWs) bands (ev): -8.6543 -8.6543 -8.6364 -8.6364 -8.6238 -8.6238 -8.6144 -8.6144 -8.2172 -8.2172 -8.1924 -8.1924 -8.1651 -8.1651 -8.1594 -8.1594 -8.1553 -8.1553 -8.1460 -8.1460 -3.0370 -3.0370 -3.0338 -3.0338 0.1704 0.1704 0.2527 0.2527 3.2045 3.2045 3.4196 3.4196 4.7111 4.7111 4.8262 4.8262 8.4737 8.4737 8.5677 8.5677 10.9132 10.9132 10.9874 10.9874 k = 0.2467 0.4272 0.3058 ( 3570 PWs) bands (ev): -8.6539 -8.6539 -8.6364 -8.6364 -8.6238 -8.6238 -8.6147 -8.6147 -8.2169 -8.2169 -8.1925 -8.1925 -8.1651 -8.1651 -8.1595 -8.1595 -8.1553 -8.1553 -8.1461 -8.1461 -3.0895 -3.0895 -3.0864 -3.0864 0.2417 0.2417 0.3221 0.3221 3.2735 3.2735 3.4891 3.4891 4.6784 4.6784 4.7959 4.7959 8.5129 8.5129 8.6117 8.6117 10.8567 10.8567 10.9414 10.9414 k = 0.2400 0.4157 0.3058 ( 3566 PWs) bands (ev): -8.6536 -8.6536 -8.6365 -8.6365 -8.6238 -8.6238 -8.6150 -8.6150 -8.2166 -8.2166 -8.1925 -8.1925 -8.1651 -8.1651 -8.1596 -8.1596 -8.1553 -8.1553 -8.1463 -8.1463 -3.1442 -3.1442 -3.1411 -3.1411 0.3179 0.3179 0.3966 0.3966 3.3457 3.3457 3.5620 3.5620 4.6449 4.6449 4.7647 4.7647 8.5548 8.5548 8.6590 8.6590 10.7900 10.7900 10.8814 10.8814 k = 0.2333 0.4041 0.3058 ( 3566 PWs) bands (ev): -8.6532 -8.6532 -8.6365 -8.6365 -8.6237 -8.6237 -8.6154 -8.6154 -8.2163 -8.2163 -8.1925 -8.1925 -8.1652 -8.1652 -8.1597 -8.1597 -8.1553 -8.1553 -8.1464 -8.1464 -3.2005 -3.2005 -3.1975 -3.1975 0.3986 0.3986 0.4758 0.4758 3.4205 3.4205 3.6382 3.6382 4.6109 4.6109 4.7331 4.7331 8.5990 8.5990 8.7091 8.7091 10.7187 10.7187 10.8119 10.8119 k = 0.2267 0.3926 0.3058 ( 3570 PWs) bands (ev): -8.6527 -8.6527 -8.6365 -8.6365 -8.6237 -8.6237 -8.6157 -8.6157 -8.2159 -8.2159 -8.1926 -8.1926 -8.1652 -8.1652 -8.1598 -8.1598 -8.1553 -8.1553 -8.1466 -8.1466 -3.2582 -3.2582 -3.2551 -3.2551 0.4835 0.4835 0.5594 0.5594 3.4977 3.4977 3.7172 3.7172 4.5770 4.5770 4.7014 4.7014 8.6447 8.6447 8.7614 8.7614 10.6464 10.6464 10.7375 10.7375 k = 0.2200 0.3811 0.3058 ( 3572 PWs) bands (ev): -8.6523 -8.6523 -8.6366 -8.6366 -8.6236 -8.6236 -8.6161 -8.6161 -8.2156 -8.2156 -8.1926 -8.1926 -8.1652 -8.1652 -8.1600 -8.1600 -8.1553 -8.1553 -8.1468 -8.1468 -3.3167 -3.3167 -3.3137 -3.3137 0.5722 0.5722 0.6470 0.6470 3.5768 3.5768 3.7989 3.7989 4.5437 4.5437 4.6703 4.6703 8.6914 8.6914 8.8154 8.8154 10.5747 10.5747 10.6612 10.6612 k = 0.2133 0.3695 0.3058 ( 3580 PWs) bands (ev): -8.6519 -8.6519 -8.6366 -8.6366 -8.6236 -8.6236 -8.6165 -8.6165 -8.2153 -8.2153 -8.1927 -8.1927 -8.1652 -8.1652 -8.1601 -8.1601 -8.1554 -8.1554 -8.1470 -8.1470 -3.3759 -3.3759 -3.3728 -3.3728 0.6642 0.6642 0.7382 0.7382 3.6572 3.6572 3.8828 3.8828 4.5118 4.5118 4.6404 4.6404 8.7383 8.7383 8.8703 8.8703 10.5050 10.5050 10.5848 10.5848 k = 0.2067 0.3580 0.3058 ( 3580 PWs) bands (ev): -8.6514 -8.6514 -8.6366 -8.6366 -8.6236 -8.6236 -8.6168 -8.6168 -8.2150 -8.2150 -8.1927 -8.1927 -8.1652 -8.1652 -8.1603 -8.1603 -8.1553 -8.1553 -8.1473 -8.1473 -3.4352 -3.4352 -3.4322 -3.4322 0.7593 0.7593 0.8325 0.8325 3.7381 3.7381 3.9685 3.9685 4.4821 4.4821 4.6122 4.6122 8.7845 8.7845 8.9255 8.9255 10.4378 10.4378 10.5095 10.5095 k = 0.2000 0.3464 0.3058 ( 3582 PWs) bands (ev): -8.6510 -8.6510 -8.6366 -8.6366 -8.6236 -8.6236 -8.6172 -8.6172 -8.2147 -8.2147 -8.1927 -8.1927 -8.1652 -8.1652 -8.1604 -8.1604 -8.1553 -8.1553 -8.1475 -8.1475 -3.4946 -3.4946 -3.4915 -3.4915 0.8568 0.8568 0.9297 0.9297 3.8186 3.8186 4.0554 4.0554 4.4557 4.4557 4.5866 4.5866 8.8292 8.8292 8.9801 8.9801 10.3737 10.3737 10.4362 10.4362 k = 0.1933 0.3349 0.3058 ( 3576 PWs) bands (ev): -8.6505 -8.6505 -8.6366 -8.6366 -8.6235 -8.6235 -8.6176 -8.6176 -8.2143 -8.2143 -8.1928 -8.1928 -8.1652 -8.1652 -8.1606 -8.1606 -8.1552 -8.1552 -8.1477 -8.1477 -3.5536 -3.5536 -3.5505 -3.5505 0.9563 0.9563 1.0292 1.0292 3.8973 3.8973 4.1426 4.1426 4.4344 4.4344 4.5648 4.5648 8.8713 8.8713 9.0332 9.0332 10.3129 10.3129 10.3653 10.3653 k = 0.1867 0.3233 0.3058 ( 3576 PWs) bands (ev): -8.6500 -8.6500 -8.6366 -8.6366 -8.6235 -8.6235 -8.6179 -8.6179 -8.2140 -8.2140 -8.1928 -8.1928 -8.1651 -8.1651 -8.1608 -8.1608 -8.1552 -8.1552 -8.1480 -8.1480 -3.6121 -3.6121 -3.6090 -3.6090 1.0575 1.0575 1.1306 1.1306 3.9718 3.9718 4.2276 4.2276 4.4218 4.4218 4.5484 4.5484 8.9100 8.9100 9.0838 9.0838 10.2554 10.2554 10.2977 10.2977 k = 0.1800 0.3118 0.3058 ( 3580 PWs) bands (ev): -8.6495 -8.6495 -8.6366 -8.6366 -8.6235 -8.6235 -8.6183 -8.6183 -8.2137 -8.2137 -8.1929 -8.1929 -8.1651 -8.1651 -8.1610 -8.1610 -8.1551 -8.1551 -8.1482 -8.1482 -3.6698 -3.6698 -3.6667 -3.6667 1.1596 1.1596 1.2334 1.2334 4.0387 4.0387 4.3027 4.3027 4.4269 4.4269 4.5401 4.5401 8.9441 8.9441 9.1308 9.1308 10.2007 10.2007 10.2343 10.2343 k = 0.1733 0.3002 0.3058 ( 3568 PWs) bands (ev): -8.6490 -8.6490 -8.6366 -8.6366 -8.6235 -8.6235 -8.6187 -8.6187 -8.2133 -8.2133 -8.1929 -8.1929 -8.1651 -8.1651 -8.1612 -8.1612 -8.1550 -8.1550 -8.1484 -8.1484 -3.7266 -3.7266 -3.7235 -3.7235 1.2622 1.2622 1.3370 1.3370 4.0937 4.0937 4.3491 4.3491 4.4684 4.4684 4.5448 4.5448 8.9729 8.9729 9.1732 9.1732 10.1477 10.1477 10.1768 10.1768 k = 0.1667 0.2887 0.3058 ( 3568 PWs) bands (ev): -8.6485 -8.6485 -8.6365 -8.6365 -8.6236 -8.6236 -8.6190 -8.6190 -8.2130 -8.2130 -8.1930 -8.1930 -8.1650 -8.1650 -8.1614 -8.1614 -8.1549 -8.1549 -8.1487 -8.1487 -3.7822 -3.7822 -3.7791 -3.7791 1.3647 1.3647 1.4408 1.4408 4.1333 4.1333 4.3699 4.3699 4.5366 4.5366 4.5733 4.5733 8.9956 8.9956 9.2097 9.2097 10.0949 10.0949 10.1269 10.1269 k = 0.1600 0.2771 0.3058 ( 3564 PWs) bands (ev): -8.6480 -8.6480 -8.6365 -8.6365 -8.6236 -8.6236 -8.6194 -8.6194 -8.2126 -8.2126 -8.1930 -8.1930 -8.1650 -8.1650 -8.1616 -8.1616 -8.1547 -8.1547 -8.1490 -8.1490 -3.8365 -3.8365 -3.8335 -3.8335 1.4664 1.4664 1.5440 1.5440 4.1588 4.1588 4.3832 4.3832 4.5944 4.5944 4.6440 4.6440 9.0117 9.0117 9.2394 9.2394 10.0436 10.0436 10.0839 10.0839 k = 0.1533 0.2656 0.3058 ( 3566 PWs) bands (ev): -8.6475 -8.6475 -8.6364 -8.6364 -8.6237 -8.6237 -8.6197 -8.6197 -8.2122 -8.2122 -8.1931 -8.1931 -8.1650 -8.1650 -8.1618 -8.1618 -8.1546 -8.1546 -8.1492 -8.1492 -3.8894 -3.8894 -3.8864 -3.8864 1.5665 1.5665 1.6460 1.6460 4.1756 4.1756 4.3947 4.3947 4.6560 4.6560 4.7324 4.7324 9.0209 9.0209 9.2611 9.2611 9.9955 9.9955 10.0465 10.0465 k = 0.1467 0.2540 0.3058 ( 3562 PWs) bands (ev): -8.6470 -8.6470 -8.6363 -8.6363 -8.6238 -8.6238 -8.6201 -8.6201 -8.2119 -8.2119 -8.1932 -8.1932 -8.1649 -8.1649 -8.1620 -8.1620 -8.1545 -8.1545 -8.1495 -8.1495 -3.9408 -3.9408 -3.9378 -3.9378 1.6644 1.6644 1.7459 1.7459 4.1895 4.1895 4.4076 4.4076 4.7281 4.7281 4.8237 4.8237 9.0230 9.0230 9.2739 9.2739 9.9523 9.9523 10.0137 10.0137 k = 0.1400 0.2425 0.3058 ( 3566 PWs) bands (ev): -8.6465 -8.6465 -8.6363 -8.6363 -8.6239 -8.6239 -8.6204 -8.6204 -8.2115 -8.2115 -8.1933 -8.1933 -8.1649 -8.1649 -8.1622 -8.1622 -8.1543 -8.1543 -8.1498 -8.1498 -3.9904 -3.9904 -3.9875 -3.9875 1.7593 1.7593 1.8428 1.8428 4.2051 4.2051 4.4242 4.4242 4.8071 4.8071 4.9153 4.9153 9.0180 9.0180 9.2768 9.2768 9.9150 9.9150 9.9851 9.9851 k = 0.1333 0.2309 0.3058 ( 3566 PWs) bands (ev): -8.6459 -8.6459 -8.6362 -8.6362 -8.6241 -8.6241 -8.6208 -8.6208 -8.2111 -8.2111 -8.1934 -8.1934 -8.1649 -8.1649 -8.1623 -8.1623 -8.1542 -8.1542 -8.1501 -8.1501 -4.0383 -4.0383 -4.0354 -4.0354 1.8503 1.8503 1.9357 1.9357 4.2254 4.2254 4.4465 4.4465 4.8899 4.8899 5.0064 5.0064 9.0063 9.0063 9.2694 9.2694 9.8846 9.8846 9.9606 9.9606 k = 0.1267 0.2194 0.3058 ( 3578 PWs) bands (ev): -8.6454 -8.6454 -8.6361 -8.6361 -8.6243 -8.6243 -8.6212 -8.6212 -8.2107 -8.2107 -8.1936 -8.1936 -8.1650 -8.1650 -8.1625 -8.1625 -8.1540 -8.1540 -8.1504 -8.1504 -4.0843 -4.0843 -4.0814 -4.0814 1.9368 1.9368 2.0237 2.0237 4.2524 4.2524 4.4759 4.4759 4.9745 4.9745 5.0961 5.0961 8.9878 8.9878 9.2513 9.2513 9.8614 9.8614 9.9403 9.9403 k = 0.1200 0.2078 0.3058 ( 3584 PWs) bands (ev): -8.6449 -8.6449 -8.6360 -8.6360 -8.6245 -8.6245 -8.6215 -8.6215 -8.2103 -8.2103 -8.1938 -8.1938 -8.1650 -8.1650 -8.1627 -8.1627 -8.1539 -8.1539 -8.1506 -8.1506 -4.1283 -4.1283 -4.1255 -4.1255 2.0179 2.0179 2.1059 2.1059 4.2876 4.2876 4.5134 4.5134 5.0596 5.0596 5.1841 5.1841 8.9628 8.9628 9.2227 9.2227 9.8457 9.8457 9.9243 9.9243 k = 0.1133 0.1963 0.3058 ( 3592 PWs) bands (ev): -8.6443 -8.6443 -8.6358 -8.6358 -8.6247 -8.6247 -8.6219 -8.6219 -8.2099 -8.2099 -8.1940 -8.1940 -8.1650 -8.1650 -8.1628 -8.1628 -8.1537 -8.1537 -8.1509 -8.1509 -4.1703 -4.1703 -4.1676 -4.1676 2.0932 2.0932 2.1814 2.1814 4.3322 4.3322 4.5598 4.5598 5.1441 5.1441 5.2698 5.2698 8.9313 8.9313 9.1840 9.1840 9.8370 9.8370 9.9131 9.9131 k = 0.1067 0.1848 0.3058 ( 3590 PWs) bands (ev): -8.6437 -8.6437 -8.6357 -8.6357 -8.6250 -8.6250 -8.6223 -8.6223 -8.2095 -8.2095 -8.1941 -8.1941 -8.1651 -8.1651 -8.1630 -8.1630 -8.1536 -8.1536 -8.1511 -8.1511 -4.2102 -4.2102 -4.2075 -4.2075 2.1621 2.1621 2.2497 2.2497 4.3867 4.3867 4.6154 4.6154 5.2273 5.2273 5.3528 5.3528 8.8930 8.8930 9.1359 9.1359 9.8348 9.8348 9.9068 9.9068 k = 0.1000 0.1732 0.3058 ( 3594 PWs) bands (ev): -8.6431 -8.6431 -8.6355 -8.6355 -8.6252 -8.6252 -8.6228 -8.6228 -8.2090 -8.2090 -8.1944 -8.1944 -8.1651 -8.1651 -8.1631 -8.1631 -8.1535 -8.1535 -8.1513 -8.1513 -4.2480 -4.2480 -4.2453 -4.2453 2.2244 2.2244 2.3104 2.3104 4.4516 4.4516 4.6803 4.6803 5.3087 5.3087 5.4328 5.4328 8.8477 8.8477 9.0790 9.0790 9.8385 9.8385 9.9058 9.9058 k = 0.0933 0.1617 0.3058 ( 3602 PWs) bands (ev): -8.6426 -8.6426 -8.6353 -8.6353 -8.6255 -8.6255 -8.6232 -8.6232 -8.2086 -8.2086 -8.1946 -8.1946 -8.1652 -8.1652 -8.1632 -8.1632 -8.1533 -8.1533 -8.1516 -8.1516 -4.2835 -4.2835 -4.2810 -4.2810 2.2800 2.2800 2.3633 2.3633 4.5267 4.5267 4.7544 4.7544 5.3878 5.3878 5.5094 5.5094 8.7950 8.7950 9.0136 9.0136 9.8475 9.8475 9.9102 9.9102 k = 0.0867 0.1501 0.3058 ( 3602 PWs) bands (ev): -8.6419 -8.6419 -8.6351 -8.6351 -8.6258 -8.6258 -8.6237 -8.6237 -8.2081 -8.2081 -8.1949 -8.1949 -8.1653 -8.1653 -8.1633 -8.1633 -8.1532 -8.1532 -8.1517 -8.1517 -4.3167 -4.3167 -4.3143 -4.3143 2.3290 2.3290 2.4086 2.4086 4.6115 4.6115 4.8372 4.8372 5.4642 5.4642 5.5823 5.5823 8.7347 8.7347 8.9400 8.9400 9.8613 9.8613 9.9202 9.9202 k = 0.0800 0.1386 0.3058 ( 3596 PWs) bands (ev): -8.6413 -8.6413 -8.6349 -8.6349 -8.6261 -8.6261 -8.6241 -8.6241 -8.2076 -8.2076 -8.1951 -8.1951 -8.1653 -8.1653 -8.1634 -8.1634 -8.1531 -8.1531 -8.1519 -8.1519 -4.3476 -4.3476 -4.3453 -4.3453 2.3716 2.3716 2.4467 2.4467 4.7052 4.7052 4.9277 4.9277 5.5376 5.5376 5.6512 5.6512 8.6662 8.6662 8.8584 8.8584 9.8796 9.8796 9.9353 9.9353 k = 0.0733 0.1270 0.3058 ( 3600 PWs) bands (ev): -8.6407 -8.6407 -8.6347 -8.6347 -8.6264 -8.6264 -8.6246 -8.6246 -8.2071 -8.2071 -8.1955 -8.1955 -8.1654 -8.1654 -8.1635 -8.1635 -8.1529 -8.1529 -8.1520 -8.1520 -4.3762 -4.3762 -4.3740 -4.3740 2.4084 2.4084 2.4782 2.4782 4.8065 4.8065 5.0248 5.0248 5.6079 5.6079 5.7161 5.7161 8.5896 8.5896 8.7690 8.7690 9.9018 9.9018 9.9552 9.9552 k = 0.0667 0.1155 0.3058 ( 3604 PWs) bands (ev): -8.6401 -8.6401 -8.6345 -8.6345 -8.6267 -8.6267 -8.6251 -8.6251 -8.2065 -8.2065 -8.1958 -8.1958 -8.1654 -8.1654 -8.1636 -8.1636 -8.1528 -8.1528 -8.1521 -8.1521 -4.4024 -4.4024 -4.4004 -4.4004 2.4398 2.4398 2.5038 2.5038 4.9140 4.9140 5.1270 5.1270 5.6750 5.6750 5.7769 5.7769 8.5050 8.5050 8.6720 8.6720 9.9278 9.9278 9.9790 9.9790 k = 0.0600 0.1039 0.3058 ( 3602 PWs) bands (ev): -8.6394 -8.6394 -8.6343 -8.6343 -8.6270 -8.6270 -8.6256 -8.6256 -8.2060 -8.2060 -8.1962 -8.1962 -8.1654 -8.1654 -8.1638 -8.1638 -8.1527 -8.1527 -8.1522 -8.1522 -4.4261 -4.4261 -4.4243 -4.4243 2.4663 2.4663 2.5242 2.5242 5.0259 5.0259 5.2322 5.2322 5.7393 5.7393 5.8338 5.8338 8.4129 8.4129 8.5683 8.5683 9.9568 9.9568 10.0058 10.0058 k = 0.0533 0.0924 0.3058 ( 3602 PWs) bands (ev): -8.6388 -8.6388 -8.6341 -8.6341 -8.6273 -8.6273 -8.6261 -8.6261 -8.2054 -8.2054 -8.1966 -8.1966 -8.1654 -8.1654 -8.1639 -8.1639 -8.1526 -8.1526 -8.1523 -8.1523 -4.4474 -4.4474 -4.4458 -4.4458 2.4886 2.4886 2.5402 2.5402 5.1400 5.1400 5.3377 5.3377 5.8013 5.8013 5.8871 5.8871 8.3147 8.3147 8.4587 8.4587 9.9880 9.9880 10.0342 10.0342 k = 0.0467 0.0808 0.3058 ( 3606 PWs) bands (ev): -8.6381 -8.6381 -8.6339 -8.6339 -8.6276 -8.6276 -8.6267 -8.6267 -8.2048 -8.2048 -8.1970 -8.1970 -8.1655 -8.1655 -8.1640 -8.1640 -8.1526 -8.1526 -8.1523 -8.1523 -4.4663 -4.4663 -4.4648 -4.4648 2.5073 2.5073 2.5523 2.5523 5.2537 5.2537 5.4400 5.4400 5.8618 5.8618 5.9374 5.9374 8.2122 8.2122 8.3451 8.3451 10.0203 10.0203 10.0628 10.0628 k = 0.0400 0.0693 0.3058 ( 3606 PWs) bands (ev): -8.6375 -8.6375 -8.6337 -8.6337 -8.6279 -8.6279 -8.6272 -8.6272 -8.2042 -8.2042 -8.1975 -8.1975 -8.1654 -8.1654 -8.1642 -8.1642 -8.1525 -8.1525 -8.1524 -8.1524 -4.4826 -4.4826 -4.4813 -4.4813 2.5228 2.5228 2.5613 2.5613 5.3639 5.3639 5.5350 5.5350 5.9222 5.9222 5.9855 5.9855 8.1082 8.1082 8.2297 8.2297 10.0521 10.0521 10.0895 10.0895 k = 0.0333 0.0577 0.3058 ( 3618 PWs) bands (ev): -8.6369 -8.6369 -8.6336 -8.6336 -8.6282 -8.6282 -8.6277 -8.6277 -8.2037 -8.2037 -8.1980 -8.1980 -8.1654 -8.1654 -8.1644 -8.1644 -8.1525 -8.1525 -8.1524 -8.1524 -4.4965 -4.4965 -4.4954 -4.4954 2.5355 2.5355 2.5675 2.5675 5.4671 5.4671 5.6176 5.6176 5.9837 5.9837 6.0323 6.0323 8.0065 8.0065 8.1154 8.1154 10.0812 10.0812 10.1117 10.1117 k = 0.0267 0.0462 0.3058 ( 3622 PWs) bands (ev): -8.6362 -8.6362 -8.6335 -8.6335 -8.6285 -8.6285 -8.6282 -8.6282 -8.2031 -8.2031 -8.1985 -8.1985 -8.1654 -8.1654 -8.1645 -8.1645 -8.1525 -8.1525 -8.1524 -8.1524 -4.5078 -4.5078 -4.5069 -4.5069 2.5460 2.5460 2.5715 2.5715 5.5592 5.5592 5.6836 5.6836 6.0458 6.0458 6.0781 6.0781 7.9120 7.9120 8.0063 8.0063 10.1050 10.1050 10.1266 10.1266 k = 0.0200 0.0346 0.3058 ( 3622 PWs) bands (ev): -8.6356 -8.6356 -8.6335 -8.6335 -8.6287 -8.6287 -8.6286 -8.6286 -8.2025 -8.2025 -8.1990 -8.1990 -8.1653 -8.1653 -8.1646 -8.1646 -8.1524 -8.1524 -8.1524 -8.1524 -4.5166 -4.5166 -4.5159 -4.5159 2.5545 2.5545 2.5736 2.5736 5.6365 5.6365 5.7306 5.7306 6.1053 6.1053 6.1222 6.1222 7.8307 7.8307 7.9072 7.9072 10.1209 10.1209 10.1328 10.1328 k = 0.0133 0.0231 0.3058 ( 3618 PWs) bands (ev): -8.6351 -8.6351 -8.6336 -8.6336 -8.6289 -8.6289 -8.6288 -8.6288 -8.2018 -8.2018 -8.1995 -8.1995 -8.1652 -8.1652 -8.1648 -8.1648 -8.1524 -8.1524 -8.1524 -8.1524 -4.5228 -4.5228 -4.5224 -4.5224 2.5613 2.5613 2.5740 2.5740 5.6966 5.6966 5.7587 5.7587 6.1553 6.1553 6.1612 6.1612 7.7695 7.7695 7.8242 7.8242 10.1279 10.1279 10.1327 10.1327 k = 0.0067 0.0115 0.3058 ( 3616 PWs) bands (ev): -8.6346 -8.6346 -8.6338 -8.6338 -8.6290 -8.6290 -8.6290 -8.6290 -8.2012 -8.2012 -8.2001 -8.2001 -8.1651 -8.1651 -8.1649 -8.1649 -8.1524 -8.1524 -8.1524 -8.1524 -4.5266 -4.5266 -4.5263 -4.5263 2.5666 2.5666 2.5729 2.5729 5.7384 5.7384 5.7691 5.7691 6.1886 6.1886 6.1894 6.1894 7.7355 7.7355 7.7643 7.7643 10.1290 10.1290 10.1305 10.1305 k = 0.0000 0.0000 0.3058 ( 3616 PWs) bands (ev): -8.6341 -8.6341 -8.6341 -8.6341 -8.6290 -8.6290 -8.6290 -8.6290 -8.2007 -8.2007 -8.2007 -8.2007 -8.1650 -8.1650 -8.1650 -8.1650 -8.1524 -8.1524 -8.1524 -8.1524 -4.5277 -4.5277 -4.5277 -4.5277 2.5704 2.5704 2.5704 2.5704 5.7624 5.7624 5.7624 5.7624 6.2001 6.2001 6.2001 6.2001 7.7335 7.7335 7.7335 7.7335 10.1291 10.1291 10.1291 10.1291 k = 0.5000 0.2887 0.3058 ( 3540 PWs) bands (ev): -8.6448 -8.6448 -8.6448 -8.6448 -8.6204 -8.6204 -8.6204 -8.6204 -8.2041 -8.2041 -8.2041 -8.2041 -8.1644 -8.1644 -8.1644 -8.1644 -8.1483 -8.1483 -8.1483 -8.1483 -3.0114 -3.0114 -3.0114 -3.0114 -0.0819 -0.0819 -0.0819 -0.0819 4.3800 4.3800 4.3800 4.3800 4.6803 4.6803 4.6803 4.6803 7.5999 7.5999 7.5999 7.5999 9.0180 9.0180 9.0180 9.0180 k = 0.5000 0.2887 0.2925 ( 3554 PWs) bands (ev): -8.6456 -8.6456 -8.6441 -8.6441 -8.6208 -8.6208 -8.6200 -8.6200 -8.2053 -8.2053 -8.2029 -8.2029 -8.1648 -8.1648 -8.1640 -8.1640 -8.1486 -8.1486 -8.1481 -8.1481 -3.0460 -3.0460 -2.9764 -2.9764 -0.1211 -0.1211 -0.0401 -0.0401 4.3050 4.3050 4.4388 4.4388 4.6213 4.6213 4.7487 4.7487 7.5490 7.5490 7.6475 7.6475 9.0239 9.0239 9.0327 9.0327 k = 0.5000 0.2887 0.2792 ( 3562 PWs) bands (ev): -8.6463 -8.6463 -8.6434 -8.6434 -8.6212 -8.6212 -8.6196 -8.6196 -8.2064 -8.2064 -8.2018 -8.2018 -8.1652 -8.1652 -8.1636 -8.1636 -8.1489 -8.1489 -8.1479 -8.1479 -3.0802 -3.0802 -2.9412 -2.9412 -0.1575 -0.1575 0.0042 0.0042 4.2184 4.2184 4.4631 4.4631 4.5939 4.5939 4.8181 4.8181 7.4999 7.4999 7.6876 7.6876 9.0478 9.0478 9.0699 9.0699 k = 0.5000 0.2887 0.2659 ( 3562 PWs) bands (ev): -8.6470 -8.6470 -8.6427 -8.6427 -8.6216 -8.6216 -8.6192 -8.6192 -8.2075 -8.2075 -8.2006 -8.2006 -8.1656 -8.1656 -8.1632 -8.1632 -8.1492 -8.1492 -8.1476 -8.1476 -3.1136 -3.1136 -2.9061 -2.9061 -0.1910 -0.1910 0.0507 0.0507 4.1224 4.1224 4.4370 4.4370 4.6160 4.6160 4.8833 4.8833 7.4575 7.4575 7.7172 7.7172 9.0868 9.0868 9.1311 9.1311 k = 0.5000 0.2887 0.2526 ( 3558 PWs) bands (ev): -8.6477 -8.6477 -8.6420 -8.6420 -8.6220 -8.6220 -8.6188 -8.6188 -8.2086 -8.2086 -8.1995 -8.1995 -8.1660 -8.1660 -8.1628 -8.1628 -8.1495 -8.1495 -8.1474 -8.1474 -3.1462 -3.1462 -2.8711 -2.8711 -0.2214 -0.2214 0.0992 0.0992 4.0195 4.0195 4.3921 4.3921 4.6565 4.6565 4.9410 4.9410 7.4263 7.4263 7.7354 7.7354 9.1380 9.1380 9.2162 9.2162 k = 0.5000 0.2887 0.2393 ( 3558 PWs) bands (ev): -8.6484 -8.6484 -8.6413 -8.6413 -8.6224 -8.6224 -8.6184 -8.6184 -8.2097 -8.2097 -8.1983 -8.1983 -8.1664 -8.1664 -8.1624 -8.1624 -8.1498 -8.1498 -8.1471 -8.1471 -3.1779 -3.1779 -2.8366 -2.8366 -0.2487 -0.2487 0.1494 0.1494 3.9120 3.9120 4.3454 4.3454 4.6968 4.6968 4.9895 4.9895 7.4100 7.4100 7.7428 7.7428 9.1991 9.1991 9.3236 9.3236 k = 0.5000 0.2887 0.2260 ( 3566 PWs) bands (ev): -8.6491 -8.6491 -8.6406 -8.6406 -8.6228 -8.6228 -8.6180 -8.6180 -8.2108 -8.2108 -8.1972 -8.1972 -8.1668 -8.1668 -8.1620 -8.1620 -8.1501 -8.1501 -8.1469 -8.1469 -3.2084 -3.2084 -2.8028 -2.8028 -0.2728 -0.2728 0.2012 0.2012 3.8020 3.8020 4.3005 4.3005 4.7312 4.7312 5.0288 5.0288 7.4110 7.4110 7.7410 7.7410 9.2684 9.2684 9.4507 9.4507 k = 0.5000 0.2887 0.2127 ( 3562 PWs) bands (ev): -8.6497 -8.6497 -8.6399 -8.6399 -8.6232 -8.6232 -8.6176 -8.6176 -8.2118 -8.2118 -8.1961 -8.1961 -8.1672 -8.1672 -8.1616 -8.1616 -8.1504 -8.1504 -8.1467 -8.1467 -3.2378 -3.2378 -2.7698 -2.7698 -0.2936 -0.2936 0.2541 0.2541 3.6911 3.6911 4.2581 4.2581 4.7558 4.7558 5.0613 5.0613 7.4304 7.4304 7.7324 7.7324 9.3445 9.3445 9.5946 9.5946 k = 0.5000 0.2887 0.1994 ( 3572 PWs) bands (ev): -8.6504 -8.6504 -8.6393 -8.6393 -8.6236 -8.6236 -8.6172 -8.6172 -8.2128 -8.2128 -8.1951 -8.1951 -8.1676 -8.1676 -8.1612 -8.1612 -8.1507 -8.1507 -8.1466 -8.1466 -3.2658 -3.2658 -2.7378 -2.7378 -0.3111 -0.3111 0.3079 0.3079 3.5808 3.5808 4.2182 4.2182 4.7669 4.7669 5.0906 5.0906 7.4676 7.4676 7.7193 7.7193 9.4260 9.4260 9.7526 9.7526 k = 0.5000 0.2887 0.1861 ( 3564 PWs) bands (ev): -8.6510 -8.6510 -8.6387 -8.6387 -8.6239 -8.6239 -8.6169 -8.6169 -8.2137 -8.2137 -8.1940 -8.1940 -8.1679 -8.1679 -8.1608 -8.1608 -8.1510 -8.1510 -8.1464 -8.1464 -3.2924 -3.2924 -2.7071 -2.7071 -0.3254 -0.3254 0.3621 0.3621 3.4722 3.4722 4.1808 4.1808 4.7620 4.7620 5.1207 5.1207 7.5202 7.5202 7.7045 7.7045 9.5118 9.5118 9.9222 9.9222 k = 0.5000 0.2887 0.1728 ( 3562 PWs) bands (ev): -8.6515 -8.6515 -8.6380 -8.6380 -8.6243 -8.6243 -8.6165 -8.6165 -8.2146 -8.2146 -8.1930 -8.1930 -8.1683 -8.1683 -8.1604 -8.1604 -8.1513 -8.1513 -8.1463 -8.1463 -3.3175 -3.3175 -2.6779 -2.6779 -0.3366 -0.3366 0.4165 0.4165 3.3663 3.3663 4.1460 4.1460 4.7411 4.7411 5.1536 5.1536 7.5814 7.5814 7.6940 7.6940 9.6007 9.6007 10.1013 10.1013 k = 0.5000 0.2887 0.1595 ( 3552 PWs) bands (ev): -8.6521 -8.6521 -8.6374 -8.6374 -8.6247 -8.6247 -8.6161 -8.6161 -8.2154 -8.2154 -8.1921 -8.1921 -8.1686 -8.1686 -8.1600 -8.1600 -8.1515 -8.1515 -8.1461 -8.1461 -3.3411 -3.3411 -2.6503 -2.6503 -0.3448 -0.3448 0.4705 0.4705 3.2639 3.2639 4.1137 4.1137 4.7066 4.7066 5.1893 5.1893 7.6227 7.6227 7.7150 7.7150 9.6914 9.6914 10.2882 10.2882 k = 0.5000 0.2887 0.1462 ( 3552 PWs) bands (ev): -8.6526 -8.6526 -8.6369 -8.6369 -8.6250 -8.6250 -8.6158 -8.6158 -8.2162 -8.2162 -8.1912 -8.1912 -8.1690 -8.1690 -8.1596 -8.1596 -8.1518 -8.1518 -8.1460 -8.1460 -3.3629 -3.3629 -2.6244 -2.6244 -0.3502 -0.3502 0.5236 0.5236 3.1660 3.1660 4.0838 4.0838 4.6618 4.6618 5.2268 5.2268 7.6198 7.6198 7.7895 7.7895 9.7822 9.7822 10.4813 10.4813 k = 0.5000 0.2887 0.1330 ( 3546 PWs) bands (ev): -8.6531 -8.6531 -8.6363 -8.6363 -8.6254 -8.6254 -8.6155 -8.6155 -8.2169 -8.2169 -8.1903 -8.1903 -8.1693 -8.1693 -8.1592 -8.1592 -8.1521 -8.1521 -8.1459 -8.1459 -3.3831 -3.3831 -2.6005 -2.6005 -0.3531 -0.3531 0.5754 0.5754 3.0732 3.0732 4.0564 4.0564 4.6103 4.6103 5.2648 5.2648 7.6042 7.6042 7.8843 7.8843 9.8712 9.8712 10.6787 10.6787 k = 0.5000 0.2887 0.1197 ( 3554 PWs) bands (ev): -8.6535 -8.6535 -8.6358 -8.6358 -8.6257 -8.6257 -8.6153 -8.6153 -8.2176 -8.2176 -8.1895 -8.1895 -8.1696 -8.1696 -8.1588 -8.1588 -8.1524 -8.1524 -8.1458 -8.1458 -3.4015 -3.4015 -2.5787 -2.5787 -0.3538 -0.3538 0.6252 0.6252 2.9864 2.9864 4.0315 4.0315 4.5554 4.5554 5.3022 5.3022 7.5868 7.5868 7.9863 7.9863 9.9560 9.9560 10.8641 10.8641 k = 0.5000 0.2887 0.1064 ( 3562 PWs) bands (ev): -8.6539 -8.6539 -8.6353 -8.6353 -8.6261 -8.6261 -8.6150 -8.6150 -8.2183 -8.2183 -8.1888 -8.1888 -8.1700 -8.1700 -8.1585 -8.1585 -8.1527 -8.1527 -8.1458 -8.1458 -3.4181 -3.4181 -2.5590 -2.5590 -0.3526 -0.3526 0.6724 0.6724 2.9061 2.9061 4.0090 4.0090 4.4996 4.4996 5.3380 5.3380 7.5697 7.5697 8.0911 8.0911 10.0337 10.0337 10.8207 10.8207 k = 0.5000 0.2887 0.0931 ( 3558 PWs) bands (ev): -8.6543 -8.6543 -8.6349 -8.6349 -8.6264 -8.6264 -8.6148 -8.6148 -8.2188 -8.2188 -8.1881 -8.1881 -8.1702 -8.1702 -8.1581 -8.1581 -8.1529 -8.1529 -8.1457 -8.1457 -3.4329 -3.4329 -2.5415 -2.5415 -0.3501 -0.3501 0.7164 0.7164 2.8333 2.8333 3.9890 3.9890 4.4453 4.4453 5.3714 5.3714 7.5538 7.5538 8.1956 8.1956 10.1009 10.1009 10.7481 10.7481 k = 0.5000 0.2887 0.0798 ( 3560 PWs) bands (ev): -8.6546 -8.6546 -8.6344 -8.6344 -8.6267 -8.6267 -8.6146 -8.6146 -8.2193 -8.2193 -8.1875 -8.1875 -8.1705 -8.1705 -8.1578 -8.1578 -8.1532 -8.1532 -8.1457 -8.1457 -3.4457 -3.4457 -2.5263 -2.5263 -0.3465 -0.3465 0.7564 0.7564 2.7684 2.7684 3.9716 3.9716 4.3944 4.3944 5.4017 5.4017 7.5395 7.5395 8.2970 8.2970 10.1540 10.1540 10.6836 10.6836 k = 0.5000 0.2887 0.0665 ( 3572 PWs) bands (ev): -8.6549 -8.6549 -8.6341 -8.6341 -8.6270 -8.6270 -8.6144 -8.6144 -8.2197 -8.2197 -8.1870 -8.1870 -8.1708 -8.1708 -8.1574 -8.1574 -8.1535 -8.1535 -8.1457 -8.1457 -3.4566 -3.4566 -2.5134 -2.5134 -0.3425 -0.3425 0.7917 0.7917 2.7122 2.7122 3.9567 3.9567 4.3486 4.3486 5.4284 5.4284 7.5272 7.5272 8.3922 8.3922 10.1906 10.1906 10.6281 10.6281 k = 0.5000 0.2887 0.0532 ( 3568 PWs) bands (ev): -8.6551 -8.6551 -8.6337 -8.6337 -8.6272 -8.6272 -8.6143 -8.6143 -8.2200 -8.2200 -8.1866 -8.1866 -8.1710 -8.1710 -8.1571 -8.1571 -8.1537 -8.1537 -8.1456 -8.1456 -3.4656 -3.4656 -2.5029 -2.5029 -0.3384 -0.3384 0.8218 0.8218 2.6653 2.6653 3.9443 3.9443 4.3093 4.3093 5.4509 5.4509 7.5169 7.5169 8.4781 8.4781 10.2105 10.2105 10.5821 10.5821 k = 0.5000 0.2887 0.0399 ( 3568 PWs) bands (ev): -8.6553 -8.6553 -8.6335 -8.6335 -8.6274 -8.6274 -8.6142 -8.6142 -8.2203 -8.2203 -8.1863 -8.1863 -8.1711 -8.1711 -8.1568 -8.1568 -8.1539 -8.1539 -8.1456 -8.1456 -3.4726 -3.4726 -2.4946 -2.4946 -0.3348 -0.3348 0.8460 0.8460 2.6282 2.6282 3.9346 3.9346 4.2776 4.2776 5.4689 5.4689 7.5087 7.5087 8.5508 8.5508 10.2166 10.2166 10.5456 10.5456 k = 0.5000 0.2887 0.0266 ( 3564 PWs) bands (ev): -8.6554 -8.6554 -8.6333 -8.6333 -8.6275 -8.6275 -8.6141 -8.6141 -8.2205 -8.2205 -8.1860 -8.1860 -8.1712 -8.1712 -8.1566 -8.1566 -8.1541 -8.1541 -8.1456 -8.1456 -3.4776 -3.4776 -2.4888 -2.4888 -0.3318 -0.3318 0.8636 0.8636 2.6013 2.6013 3.9276 3.9276 4.2543 4.2543 5.4819 5.4819 7.5029 7.5029 8.6067 8.6067 10.2142 10.2142 10.5191 10.5191 k = 0.5000 0.2887 0.0133 ( 3560 PWs) bands (ev): -8.6555 -8.6555 -8.6331 -8.6331 -8.6276 -8.6276 -8.6140 -8.6140 -8.2206 -8.2206 -8.1858 -8.1858 -8.1713 -8.1713 -8.1564 -8.1564 -8.1542 -8.1542 -8.1456 -8.1456 -3.4806 -3.4806 -2.4852 -2.4852 -0.3300 -0.3300 0.8744 0.8744 2.5851 2.5851 3.9234 3.9234 4.2400 4.2400 5.4899 5.4899 7.4993 7.4993 8.6421 8.6421 10.2096 10.2096 10.5029 10.5029 k = 0.5000 0.2887-0.0000 ( 3558 PWs) bands (ev): -8.6555 -8.6555 -8.6331 -8.6331 -8.6277 -8.6277 -8.6140 -8.6140 -8.2206 -8.2206 -8.1858 -8.1858 -8.1713 -8.1713 -8.1564 -8.1564 -8.1542 -8.1542 -8.1456 -8.1456 -3.4816 -3.4816 -2.4841 -2.4841 -0.3293 -0.3293 0.8780 0.8780 2.5796 2.5796 3.9220 3.9220 4.2353 4.2353 5.4925 5.4925 7.4982 7.4982 8.6542 8.6542 10.2075 10.2075 10.4974 10.4974 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): -8.6563 -8.6563 -8.6550 -8.6252 -8.6252 -8.6147 -8.6122 -8.6122 -8.2462 -8.1983 -8.1869 -8.1869 -8.1699 -8.1699 -8.1574 -8.1559 -8.1549 -8.1549 -8.1455 -8.1455 -2.8048 -2.8034 -2.7929 -2.7929 0.1996 0.3127 0.3563 0.3563 2.1883 2.1883 3.4491 3.5836 3.5836 3.6996 3.9400 3.9400 8.3945 8.3945 10.7096 11.2411 11.2411 11.2962 11.9521 12.1145 k = 0.3333 0.5774 0.0133 ( 3576 PWs) bands (ev): -8.6563 -8.6563 -8.6549 -8.6252 -8.6252 -8.6147 -8.6122 -8.6122 -8.2461 -8.1983 -8.1869 -8.1869 -8.1698 -8.1698 -8.1574 -8.1559 -8.1549 -8.1549 -8.1455 -8.1455 -2.8044 -2.8030 -2.7926 -2.7926 0.1972 0.3098 0.3536 0.3536 2.1896 2.1896 3.4548 3.5876 3.5876 3.7047 3.9383 3.9383 8.4005 8.4005 10.6947 11.2168 11.2168 11.2707 11.9513 12.1145 k = 0.3333 0.5774 0.0266 ( 3576 PWs) bands (ev): -8.6563 -8.6563 -8.6548 -8.6252 -8.6252 -8.6149 -8.6122 -8.6122 -8.2460 -8.1984 -8.1870 -8.1870 -8.1697 -8.1697 -8.1574 -8.1559 -8.1549 -8.1549 -8.1455 -8.1455 -2.8032 -2.8018 -2.7914 -2.7914 0.1902 0.3012 0.3458 0.3458 2.1936 2.1936 3.4719 3.5991 3.5991 3.7201 3.9335 3.9335 8.4184 8.4184 10.6504 11.1469 11.1469 11.1977 11.9499 12.1035 k = 0.3333 0.5774 0.0399 ( 3564 PWs) bands (ev): -8.6563 -8.6563 -8.6546 -8.6251 -8.6251 -8.6152 -8.6122 -8.6122 -8.2456 -8.1986 -8.1871 -8.1871 -8.1696 -8.1696 -8.1574 -8.1559 -8.1549 -8.1549 -8.1455 -8.1455 -2.8011 -2.7998 -2.7894 -2.7894 0.1786 0.2871 0.3329 0.3329 2.2003 2.2003 3.5000 3.6167 3.6167 3.7455 3.9270 3.9270 8.4481 8.4481 10.5785 11.0395 11.0395 11.0856 11.9496 12.0745 k = 0.3333 0.5774 0.0532 ( 3564 PWs) bands (ev): -8.6563 -8.6563 -8.6543 -8.6251 -8.6251 -8.6155 -8.6122 -8.6122 -8.2451 -8.1988 -8.1873 -8.1873 -8.1694 -8.1694 -8.1575 -8.1560 -8.1550 -8.1550 -8.1455 -8.1455 -2.7983 -2.7970 -2.7868 -2.7868 0.1629 0.2680 0.3155 0.3155 2.2096 2.2096 3.5387 3.6373 3.6373 3.7804 3.9217 3.9217 8.4892 8.4892 10.4821 10.9037 10.9037 10.9448 11.9515 12.0452 k = 0.3333 0.5774 0.0665 ( 3549 PWs) bands (ev): -8.6563 -8.6563 -8.6539 -8.6250 -8.6250 -8.6160 -8.6122 -8.6122 -8.2445 -8.1992 -8.1875 -8.1875 -8.1691 -8.1691 -8.1575 -8.1560 -8.1550 -8.1550 -8.1454 -8.1454 -2.7947 -2.7935 -2.7834 -2.7834 0.1435 0.2445 0.2940 0.2940 2.2215 2.2215 3.5873 3.6557 3.6557 3.8243 3.9228 3.9228 8.5414 8.5414 10.3649 10.7483 10.7483 10.7845 11.9558 12.0198 k = 0.3333 0.5774 0.0798 ( 3549 PWs) bands (ev): -8.6563 -8.6563 -8.6534 -8.6250 -8.6250 -8.6165 -8.6122 -8.6122 -8.2438 -8.1996 -8.1878 -8.1878 -8.1688 -8.1688 -8.1576 -8.1561 -8.1551 -8.1551 -8.1454 -8.1454 -2.7905 -2.7893 -2.7794 -2.7794 0.1209 0.2172 0.2690 0.2690 2.2360 2.2360 3.6450 3.6645 3.6645 3.8767 3.9370 3.9370 8.6043 8.6043 10.2312 10.5798 10.5798 10.6115 11.9623 12.0003 k = 0.3333 0.5774 0.0931 ( 3558 PWs) bands (ev): -8.6564 -8.6564 -8.6529 -8.6249 -8.6249 -8.6172 -8.6122 -8.6122 -8.2430 -8.2002 -8.1882 -8.1882 -8.1686 -8.1686 -8.1577 -8.1562 -8.1551 -8.1551 -8.1454 -8.1454 -2.7856 -2.7845 -2.7748 -2.7748 0.0956 0.1867 0.2412 0.2412 2.2530 2.2530 3.6586 3.6586 3.7110 3.9366 3.9694 3.9694 8.6774 8.6774 10.0853 10.4034 10.4034 10.4310 11.9708 11.9871 k = 0.3333 0.5774 0.1064 ( 3564 PWs) bands (ev): -8.6564 -8.6564 -8.6523 -8.6249 -8.6249 -8.6180 -8.6122 -8.6122 -8.2420 -8.2008 -8.1885 -8.1885 -8.1682 -8.1682 -8.1578 -8.1563 -8.1552 -8.1552 -8.1454 -8.1454 -2.7802 -2.7792 -2.7697 -2.7697 0.0682 0.1538 0.2111 0.2111 2.2726 2.2726 3.6381 3.6381 3.7843 4.0033 4.0192 4.0192 8.7601 8.7601 9.9310 10.2228 10.2228 10.2466 11.9798 11.9809 k = 0.3333 0.5774 0.1197 ( 3576 PWs) bands (ev): -8.6565 -8.6565 -8.6517 -8.6248 -8.6248 -8.6188 -8.6122 -8.6122 -8.2410 -8.2015 -8.1889 -8.1889 -8.1679 -8.1679 -8.1579 -8.1564 -8.1553 -8.1553 -8.1454 -8.1454 -2.7743 -2.7735 -2.7642 -2.7642 0.0394 0.1193 0.1795 0.1795 2.2946 2.2946 3.6067 3.6067 3.8641 4.0758 4.0827 4.0827 8.8518 8.8518 9.7715 10.0408 10.0408 10.0610 11.9777 11.9925 k = 0.3333 0.5774 0.1330 ( 3570 PWs) bands (ev): -8.6565 -8.6565 -8.6509 -8.6247 -8.6247 -8.6197 -8.6122 -8.6122 -8.2398 -8.2023 -8.1892 -8.1892 -8.1676 -8.1676 -8.1580 -8.1565 -8.1554 -8.1554 -8.1454 -8.1453 -2.7681 -2.7673 -2.7584 -2.7584 0.0098 0.0838 0.1470 0.1470 2.3191 2.3191 3.5676 3.5676 3.9492 4.1532 4.1560 4.1560 8.9519 8.9519 9.6098 9.8598 9.8598 9.8763 11.9798 12.0053 k = 0.3333 0.5774 0.1462 ( 3573 PWs) bands (ev): -8.6565 -8.6565 -8.6501 -8.6247 -8.6247 -8.6207 -8.6122 -8.6122 -8.2385 -8.2032 -8.1896 -8.1896 -8.1672 -8.1672 -8.1581 -8.1566 -8.1555 -8.1555 -8.1453 -8.1453 -2.7616 -2.7610 -2.7523 -2.7523 -0.0200 0.0480 0.1142 0.1142 2.3460 2.3460 3.5232 3.5232 4.0386 4.2342 4.2362 4.2362 9.0596 9.0596 9.4482 9.6818 9.6818 9.6942 11.9855 12.0190 k = 0.3333 0.5774 0.1595 ( 3567 PWs) bands (ev): -8.6565 -8.6565 -8.6491 -8.6246 -8.6246 -8.6217 -8.6121 -8.6121 -8.2372 -8.2041 -8.1899 -8.1899 -8.1669 -8.1669 -8.1581 -8.1567 -8.1556 -8.1556 -8.1453 -8.1453 -2.7550 -2.7545 -2.7461 -2.7461 -0.0495 0.0125 0.0818 0.0818 2.3751 2.3751 3.4750 3.4750 4.1312 4.3178 4.3210 4.3210 9.1731 9.1731 9.2889 9.5097 9.5097 9.5161 11.9942 12.0333 k = 0.3333 0.5774 0.1728 ( 3573 PWs) bands (ev): -8.6566 -8.6566 -8.6482 -8.6245 -8.6245 -8.6229 -8.6122 -8.6122 -8.2358 -8.2052 -8.1902 -8.1902 -8.1666 -8.1666 -8.1582 -8.1568 -8.1557 -8.1557 -8.1453 -8.1453 -2.7484 -2.7480 -2.7399 -2.7399 -0.0782 -0.0220 0.0504 0.0504 2.4065 2.4065 3.4241 3.4241 4.2257 4.4025 4.4087 4.4087 9.1339 9.2707 9.2707 9.3435 9.3663 9.3663 12.0051 12.0479 k = 0.3333 0.5774 0.1861 ( 3576 PWs) bands (ev): -8.6566 -8.6566 -8.6472 -8.6244 -8.6244 -8.6240 -8.6121 -8.6121 -8.2343 -8.2063 -8.1906 -8.1906 -8.1663 -8.1663 -8.1583 -8.1570 -8.1558 -8.1558 -8.1453 -8.1453 -2.7419 -2.7415 -2.7338 -2.7338 -0.1054 -0.0552 0.0203 0.0203 2.4400 2.4400 3.3714 3.3714 4.3209 4.4870 4.4974 4.4974 8.9852 9.1647 9.1647 9.1777 9.4404 9.4404 12.0178 12.0625 k = 0.3333 0.5774 0.1994 ( 3579 PWs) bands (ev): -8.6567 -8.6567 -8.6461 -8.6253 -8.6244 -8.6244 -8.6121 -8.6121 -8.2328 -8.2075 -8.1909 -8.1909 -8.1660 -8.1660 -8.1583 -8.1571 -8.1559 -8.1559 -8.1452 -8.1452 -2.7357 -2.7354 -2.7279 -2.7279 -0.1308 -0.0864 -0.0079 -0.0079 2.4754 2.4754 3.3175 3.3175 4.4152 4.5696 4.5854 4.5854 8.8447 9.0153 9.0153 9.0203 9.5728 9.5728 12.0317 12.0768 k = 0.3333 0.5774 0.2127 ( 3579 PWs) bands (ev): -8.6567 -8.6567 -8.6450 -8.6266 -8.6243 -8.6243 -8.6121 -8.6121 -8.2312 -8.2088 -8.1911 -8.1911 -8.1657 -8.1657 -8.1583 -8.1573 -8.1560 -8.1560 -8.1452 -8.1452 -2.7298 -2.7295 -2.7224 -2.7224 -0.1540 -0.1153 -0.0337 -0.0337 2.5126 2.5126 3.2632 3.2632 4.5072 4.6484 4.6708 4.6708 8.7145 8.8726 8.8738 8.8738 9.7137 9.7137 12.0463 12.0901 k = 0.3333 0.5774 0.2260 ( 3570 PWs) bands (ev): -8.6567 -8.6567 -8.6438 -8.6278 -8.6243 -8.6243 -8.6121 -8.6121 -8.2295 -8.2101 -8.1914 -8.1914 -8.1654 -8.1654 -8.1583 -8.1574 -8.1560 -8.1560 -8.1452 -8.1452 -2.7244 -2.7242 -2.7173 -2.7173 -0.1745 -0.1415 -0.0569 -0.0569 2.5514 2.5514 3.2090 3.2090 4.5951 4.7215 4.7516 4.7516 8.5967 8.7366 8.7441 8.7441 9.8607 9.8607 11.9213 11.9213 k = 0.3333 0.5774 0.2393 ( 3570 PWs) bands (ev): -8.6567 -8.6567 -8.6426 -8.6292 -8.6242 -8.6242 -8.6121 -8.6121 -8.2279 -8.2115 -8.1916 -8.1916 -8.1652 -8.1652 -8.1583 -8.1575 -8.1561 -8.1561 -8.1452 -8.1452 -2.7196 -2.7194 -2.7128 -2.7128 -0.1920 -0.1646 -0.0771 -0.0771 2.5913 2.5913 3.1555 3.1555 4.6769 4.7868 4.8257 4.8257 8.4937 8.6141 8.6287 8.6287 10.0129 10.0129 11.7422 11.7422 k = 0.3333 0.5774 0.2526 ( 3576 PWs) bands (ev): -8.6567 -8.6567 -8.6413 -8.6305 -8.6242 -8.6242 -8.6121 -8.6121 -8.2262 -8.2130 -8.1918 -8.1918 -8.1650 -8.1650 -8.1583 -8.1576 -8.1562 -8.1562 -8.1452 -8.1452 -2.7155 -2.7154 -2.7090 -2.7090 -0.2063 -0.1844 -0.0940 -0.0940 2.6317 2.6317 3.1038 3.1038 4.7505 4.8419 4.8908 4.8908 8.4078 8.5070 8.5298 8.5298 10.1698 10.1698 11.5615 11.5615 k = 0.3333 0.5774 0.2659 ( 3576 PWs) bands (ev): -8.6567 -8.6567 -8.6400 -8.6319 -8.6241 -8.6241 -8.6121 -8.6121 -8.2245 -8.2146 -8.1919 -8.1919 -8.1649 -8.1649 -8.1583 -8.1578 -8.1562 -8.1562 -8.1452 -8.1452 -2.7122 -2.7121 -2.7059 -2.7059 -0.2170 -0.2007 -0.1074 -0.1074 2.6713 2.6713 3.0552 3.0552 4.8139 4.8846 4.9445 4.9445 8.3412 8.4176 8.4497 8.4497 10.3310 10.3310 11.3810 11.3810 k = 0.3333 0.5774 0.2792 ( 3582 PWs) bands (ev): -8.6568 -8.6568 -8.6387 -8.6333 -8.6241 -8.6241 -8.6121 -8.6121 -8.2228 -8.2162 -8.1920 -8.1920 -8.1648 -8.1648 -8.1582 -8.1579 -8.1563 -8.1563 -8.1452 -8.1452 -2.7098 -2.7098 -2.7037 -2.7037 -0.2240 -0.2132 -0.1171 -0.1171 2.7078 2.7078 3.0122 3.0122 4.8647 4.9131 4.9848 4.9848 8.2959 8.3479 8.3907 8.3907 10.4954 10.4954 11.2022 11.2022 k = 0.3333 0.5774 0.2925 ( 3588 PWs) bands (ev): -8.6568 -8.6568 -8.6374 -8.6347 -8.6241 -8.6241 -8.6121 -8.6121 -8.2211 -8.2178 -8.1921 -8.1921 -8.1648 -8.1648 -8.1582 -8.1580 -8.1563 -8.1563 -8.1452 -8.1452 -2.7083 -2.7083 -2.7023 -2.7023 -0.2272 -0.2218 -0.1229 -0.1229 2.7360 2.7360 2.9800 2.9800 4.9011 4.9257 5.0098 5.0098 8.2735 8.2998 8.3545 8.3545 10.6608 10.6608 11.0281 11.0281 k = 0.3333 0.5774 0.3058 ( 3600 PWs) bands (ev): -8.6568 -8.6568 -8.6361 -8.6361 -8.6241 -8.6241 -8.6121 -8.6121 -8.2195 -8.2195 -8.1921 -8.1921 -8.1648 -8.1648 -8.1581 -8.1581 -8.1564 -8.1564 -8.1452 -8.1452 -2.7078 -2.7078 -2.7018 -2.7018 -0.2265 -0.2265 -0.1249 -0.1249 2.7473 2.7473 2.9674 2.9674 4.9217 4.9217 5.0182 5.0182 8.2747 8.2747 8.3423 8.3423 10.7860 10.7860 10.8999 10.8999 Writing output data file GaSb.save init_run : 3.50s CPU 13.81s WALL ( 1 calls) electrons : 351.78s CPU 356.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 351.76s CPU 356.66s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.76s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.19s CPU 0.38s WALL ( 1 calls) newd : 0.31s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.14s WALL ( 314 calls) cegterg : 319.10s CPU 321.40s WALL ( 507 calls) Called by sum_band: Called by *egterg: h_psi : 169.11s CPU 174.14s WALL ( 8174 calls) s_psi : 19.26s CPU 19.60s WALL ( 8174 calls) g_psi : 0.36s CPU 0.37s WALL ( 7353 calls) cdiaghg : 95.58s CPU 94.30s WALL ( 7667 calls) cegterg:over : 27.23s CPU 24.89s WALL ( 7353 calls) cegterg:upda : 4.11s CPU 6.15s WALL ( 7353 calls) cegterg:last : 4.21s CPU 4.77s WALL ( 1449 calls) Called by h_psi: h_psi:vloc : 133.21s CPU 137.08s WALL ( 8174 calls) h_psi:vnl : 35.78s CPU 36.68s WALL ( 8174 calls) add_vuspsi : 12.27s CPU 14.92s WALL ( 8174 calls) General routines calbec : 23.48s CPU 21.66s WALL ( 8174 calls) fft : 0.34s CPU 1.32s WALL ( 19 calls) ffts : 0.00s CPU 0.07s WALL ( 4 calls) fftw : 128.25s CPU 130.56s WALL ( 781980 calls) interpolate : 0.01s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 1.61s WALL ( 628 calls) Parallel routines fft_scatter : 82.92s CPU 83.87s WALL ( 782003 calls) PWSCF : 6m36.43s CPU 7m42.94s WALL This run was terminated on: 3:42:37 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=