Program PWSCF v.5.1.1 starts on 21Jul2015 at 6:42:20 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: ./YSi.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 34 23 7 844 471 77 Max 35 24 8 849 483 80 Sum 1667 1135 343 40631 22845 3743 bravais-lattice index = 14 lattice parameter (alat) = 10.7976 a.u. unit-cell volume = 580.3418 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.797635 celldm(2)= 1.000000 celldm(3)= 0.665049 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.720767 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.720767 0.693177 0.000000 ) a(3) = ( 0.000000 0.000000 0.665049 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.039803 -0.000000 ) b(2) = ( 0.000000 1.442633 -0.000000 ) b(3) = ( 0.000000 0.000000 1.503648 ) PseudoPot. # 1 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 Si 4.00 28.08550 Si( 1.00) Y 11.00 88.90590 Y( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 ) ( -0.3325246 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3325246 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 420 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0067574 0.0167748 -0.0000000), wk = 0.0023810 k( 3) = ( 0.0135148 0.0335496 -0.0000000), wk = 0.0023810 k( 4) = ( 0.0202722 0.0503244 -0.0000000), wk = 0.0023810 k( 5) = ( 0.0270296 0.0670992 -0.0000000), wk = 0.0023810 k( 6) = ( 0.0337870 0.0838740 -0.0000000), wk = 0.0023810 k( 7) = ( 0.0405444 0.1006488 -0.0000000), wk = 0.0023810 k( 8) = ( 0.0473018 0.1174236 -0.0000000), wk = 0.0023810 k( 9) = ( 0.0540592 0.1341984 -0.0000000), wk = 0.0023810 k( 10) = ( 0.0608166 0.1509732 -0.0000000), wk = 0.0023810 k( 11) = ( 0.0675740 0.1677480 -0.0000000), wk = 0.0023810 k( 12) = ( 0.0743314 0.1845228 -0.0000000), wk = 0.0023810 k( 13) = ( 0.0810888 0.2012976 -0.0000000), wk = 0.0023810 k( 14) = ( 0.0878461 0.2180724 -0.0000000), wk = 0.0023810 k( 15) = ( 0.0946035 0.2348472 -0.0000000), wk = 0.0023810 k( 16) = ( 0.1013609 0.2516220 -0.0000000), wk = 0.0023810 k( 17) = ( 0.1081183 0.2683968 -0.0000000), wk = 0.0023810 k( 18) = ( 0.1148757 0.2851716 -0.0000000), wk = 0.0023810 k( 19) = ( 0.1216331 0.3019464 -0.0000000), wk = 0.0023810 k( 20) = ( 0.1283905 0.3187212 -0.0000000), wk = 0.0023810 k( 21) = ( 0.1351479 0.3354960 -0.0000000), wk = 0.0023810 k( 22) = ( 0.1419053 0.3522708 -0.0000000), wk = 0.0023810 k( 23) = ( 0.1486627 0.3690456 -0.0000000), wk = 0.0023810 k( 24) = ( 0.1554201 0.3858204 -0.0000000), wk = 0.0023810 k( 25) = ( 0.1621775 0.4025952 -0.0000000), wk = 0.0023810 k( 26) = ( 0.1689349 0.4193700 -0.0000000), wk = 0.0023810 k( 27) = ( 0.1756923 0.4361448 -0.0000000), wk = 0.0023810 k( 28) = ( 0.1824497 0.4529196 -0.0000000), wk = 0.0023810 k( 29) = ( 0.1892071 0.4696944 -0.0000000), wk = 0.0023810 k( 30) = ( 0.1959645 0.4864692 -0.0000000), wk = 0.0023810 k( 31) = ( 0.2027219 0.5032440 -0.0000000), wk = 0.0023810 k( 32) = ( 0.2094793 0.5200188 -0.0000000), wk = 0.0023810 k( 33) = ( 0.2162367 0.5367936 -0.0000000), wk = 0.0023810 k( 34) = ( 0.2229941 0.5535684 -0.0000000), wk = 0.0023810 k( 35) = ( 0.2297515 0.5703432 -0.0000000), wk = 0.0023810 k( 36) = ( 0.2365089 0.5871180 -0.0000000), wk = 0.0023810 k( 37) = ( 0.2432663 0.6038928 -0.0000000), wk = 0.0023810 k( 38) = ( 0.2500237 0.6206676 -0.0000000), wk = 0.0023810 k( 39) = ( 0.2567811 0.6374424 -0.0000000), wk = 0.0023810 k( 40) = ( 0.2635385 0.6542173 -0.0000000), wk = 0.0023810 k( 41) = ( 0.2702959 0.6709920 -0.0000000), wk = 0.0023810 k( 42) = ( 0.2770532 0.6877669 -0.0000000), wk = 0.0023810 k( 43) = ( 0.2838106 0.7045416 -0.0000000), wk = 0.0023810 k( 44) = ( 0.2905680 0.7213164 -0.0000000), wk = 0.0023810 k( 45) = ( 0.2905680 0.7213164 -0.0000000), wk = 0.0023810 k( 46) = ( 0.2724075 0.7213165 -0.0000000), wk = 0.0023810 k( 47) = ( 0.2542470 0.7213165 -0.0000000), wk = 0.0023810 k( 48) = ( 0.2360865 0.7213164 -0.0000000), wk = 0.0023810 k( 49) = ( 0.2179260 0.7213164 -0.0000000), wk = 0.0023810 k( 50) = ( 0.1997655 0.7213165 -0.0000000), wk = 0.0023810 k( 51) = ( 0.1816050 0.7213165 -0.0000000), wk = 0.0023810 k( 52) = ( 0.1634445 0.7213164 -0.0000000), wk = 0.0023810 k( 53) = ( 0.1452840 0.7213164 -0.0000000), wk = 0.0023810 k( 54) = ( 0.1271235 0.7213165 -0.0000000), wk = 0.0023810 k( 55) = ( 0.1089630 0.7213165 -0.0000000), wk = 0.0023810 k( 56) = ( 0.0908025 0.7213164 -0.0000000), wk = 0.0023810 k( 57) = ( 0.0726420 0.7213164 -0.0000000), wk = 0.0023810 k( 58) = ( 0.0544815 0.7213165 -0.0000000), wk = 0.0023810 k( 59) = ( 0.0363210 0.7213165 -0.0000000), wk = 0.0023810 k( 60) = ( 0.0181605 0.7213164 -0.0000000), wk = 0.0023810 k( 61) = ( 0.0000000 0.7213164 -0.0000000), wk = 0.0023810 k( 62) = ( 0.0000000 0.7213164 -0.0000000), wk = 0.0023810 k( 63) = ( 0.0000000 0.7213164 0.0179006), wk = 0.0023810 k( 64) = ( 0.0000000 0.7213164 0.0358011), wk = 0.0023810 k( 65) = ( 0.0000000 0.7213164 0.0537017), wk = 0.0023810 k( 66) = ( 0.0000000 0.7213164 0.0716023), wk = 0.0023810 k( 67) = ( 0.0000000 0.7213164 0.0895029), wk = 0.0023810 k( 68) = ( 0.0000000 0.7213164 0.1074034), wk = 0.0023810 k( 69) = ( 0.0000000 0.7213164 0.1253040), wk = 0.0023810 k( 70) = ( 0.0000000 0.7213164 0.1432046), wk = 0.0023810 k( 71) = ( 0.0000000 0.7213164 0.1611052), wk = 0.0023810 k( 72) = ( 0.0000000 0.7213164 0.1790057), wk = 0.0023810 k( 73) = ( 0.0000000 0.7213164 0.1969063), wk = 0.0023810 k( 74) = ( 0.0000000 0.7213164 0.2148069), wk = 0.0023810 k( 75) = ( 0.0000000 0.7213164 0.2327074), wk = 0.0023810 k( 76) = ( 0.0000000 0.7213164 0.2506080), wk = 0.0023810 k( 77) = ( 0.0000000 0.7213164 0.2685086), wk = 0.0023810 k( 78) = ( 0.0000000 0.7213164 0.2864091), wk = 0.0023810 k( 79) = ( 0.0000000 0.7213164 0.3043097), wk = 0.0023810 k( 80) = ( 0.0000000 0.7213164 0.3222103), wk = 0.0023810 k( 81) = ( 0.0000000 0.7213164 0.3401109), wk = 0.0023810 k( 82) = ( 0.0000000 0.7213164 0.3580114), wk = 0.0023810 k( 83) = ( 0.0000000 0.7213164 0.3759120), wk = 0.0023810 k( 84) = ( 0.0000000 0.7213164 0.3938126), wk = 0.0023810 k( 85) = ( 0.0000000 0.7213164 0.4117131), wk = 0.0023810 k( 86) = ( 0.0000000 0.7213164 0.4296137), wk = 0.0023810 k( 87) = ( 0.0000000 0.7213164 0.4475143), wk = 0.0023810 k( 88) = ( 0.0000000 0.7213164 0.4654149), wk = 0.0023810 k( 89) = ( 0.0000000 0.7213164 0.4833154), wk = 0.0023810 k( 90) = ( 0.0000000 0.7213164 0.5012160), wk = 0.0023810 k( 91) = ( 0.0000000 0.7213164 0.5191166), wk = 0.0023810 k( 92) = ( 0.0000000 0.7213164 0.5370172), wk = 0.0023810 k( 93) = ( 0.0000000 0.7213164 0.5549177), wk = 0.0023810 k( 94) = ( 0.0000000 0.7213164 0.5728183), wk = 0.0023810 k( 95) = ( 0.0000000 0.7213164 0.5907189), wk = 0.0023810 k( 96) = ( 0.0000000 0.7213164 0.6086194), wk = 0.0023810 k( 97) = ( 0.0000000 0.7213164 0.6265200), wk = 0.0023810 k( 98) = ( 0.0000000 0.7213164 0.6444206), wk = 0.0023810 k( 99) = ( 0.0000000 0.7213164 0.6623212), wk = 0.0023810 k( 100) = ( 0.0000000 0.7213164 0.6802217), wk = 0.0023810 k( 101) = ( 0.0000000 0.7213164 0.6981223), wk = 0.0023810 k( 102) = ( 0.0000000 0.7213164 0.7160229), wk = 0.0023810 k( 103) = ( 0.0000000 0.7213164 0.7339234), wk = 0.0023810 k( 104) = ( 0.0000000 0.7213164 0.7518240), wk = 0.0023810 k( 105) = ( 0.0000000 0.7213164 0.7518240), wk = 0.0023810 k( 106) = ( 0.0181605 0.7213164 0.7518240), wk = 0.0023810 k( 107) = ( 0.0363210 0.7213165 0.7518240), wk = 0.0023810 k( 108) = ( 0.0544815 0.7213165 0.7518240), wk = 0.0023810 k( 109) = ( 0.0726420 0.7213164 0.7518240), wk = 0.0023810 k( 110) = ( 0.0908025 0.7213164 0.7518240), wk = 0.0023810 k( 111) = ( 0.1089630 0.7213165 0.7518240), wk = 0.0023810 k( 112) = ( 0.1271235 0.7213165 0.7518240), wk = 0.0023810 k( 113) = ( 0.1452840 0.7213164 0.7518240), wk = 0.0023810 k( 114) = ( 0.1634445 0.7213164 0.7518240), wk = 0.0023810 k( 115) = ( 0.1816050 0.7213165 0.7518240), wk = 0.0023810 k( 116) = ( 0.1997655 0.7213165 0.7518240), wk = 0.0023810 k( 117) = ( 0.2179260 0.7213164 0.7518240), wk = 0.0023810 k( 118) = ( 0.2360865 0.7213164 0.7518240), wk = 0.0023810 k( 119) = ( 0.2542470 0.7213165 0.7518240), wk = 0.0023810 k( 120) = ( 0.2724075 0.7213165 0.7518240), wk = 0.0023810 k( 121) = ( 0.2905680 0.7213164 0.7518240), wk = 0.0023810 k( 122) = ( 0.2905680 0.7213164 0.7518240), wk = 0.0023810 k( 123) = ( 0.2838106 0.7045416 0.7518240), wk = 0.0023810 k( 124) = ( 0.2770532 0.6877669 0.7518240), wk = 0.0023810 k( 125) = ( 0.2702959 0.6709920 0.7518240), wk = 0.0023810 k( 126) = ( 0.2635385 0.6542173 0.7518240), wk = 0.0023810 k( 127) = ( 0.2567811 0.6374424 0.7518240), wk = 0.0023810 k( 128) = ( 0.2500237 0.6206676 0.7518240), wk = 0.0023810 k( 129) = ( 0.2432663 0.6038928 0.7518240), wk = 0.0023810 k( 130) = ( 0.2365089 0.5871180 0.7518240), wk = 0.0023810 k( 131) = ( 0.2297515 0.5703432 0.7518240), wk = 0.0023810 k( 132) = ( 0.2229941 0.5535684 0.7518240), wk = 0.0023810 k( 133) = ( 0.2162367 0.5367936 0.7518240), wk = 0.0023810 k( 134) = ( 0.2094793 0.5200188 0.7518240), wk = 0.0023810 k( 135) = ( 0.2027219 0.5032440 0.7518240), wk = 0.0023810 k( 136) = ( 0.1959645 0.4864692 0.7518240), wk = 0.0023810 k( 137) = ( 0.1892071 0.4696944 0.7518240), wk = 0.0023810 k( 138) = ( 0.1824497 0.4529196 0.7518240), wk = 0.0023810 k( 139) = ( 0.1756923 0.4361448 0.7518240), wk = 0.0023810 k( 140) = ( 0.1689349 0.4193700 0.7518240), wk = 0.0023810 k( 141) = ( 0.1621775 0.4025952 0.7518240), wk = 0.0023810 k( 142) = ( 0.1554201 0.3858204 0.7518240), wk = 0.0023810 k( 143) = ( 0.1486627 0.3690456 0.7518240), wk = 0.0023810 k( 144) = ( 0.1419053 0.3522708 0.7518240), wk = 0.0023810 k( 145) = ( 0.1351479 0.3354960 0.7518240), wk = 0.0023810 k( 146) = ( 0.1283905 0.3187212 0.7518240), wk = 0.0023810 k( 147) = ( 0.1216331 0.3019464 0.7518240), wk = 0.0023810 k( 148) = ( 0.1148757 0.2851716 0.7518240), wk = 0.0023810 k( 149) = ( 0.1081183 0.2683968 0.7518240), wk = 0.0023810 k( 150) = ( 0.1013609 0.2516220 0.7518240), wk = 0.0023810 k( 151) = ( 0.0946035 0.2348472 0.7518240), wk = 0.0023810 k( 152) = ( 0.0878461 0.2180724 0.7518240), wk = 0.0023810 k( 153) = ( 0.0810888 0.2012976 0.7518240), wk = 0.0023810 k( 154) = ( 0.0743314 0.1845228 0.7518240), wk = 0.0023810 k( 155) = ( 0.0675740 0.1677480 0.7518240), wk = 0.0023810 k( 156) = ( 0.0608166 0.1509732 0.7518240), wk = 0.0023810 k( 157) = ( 0.0540592 0.1341984 0.7518240), wk = 0.0023810 k( 158) = ( 0.0473018 0.1174236 0.7518240), wk = 0.0023810 k( 159) = ( 0.0405444 0.1006488 0.7518240), wk = 0.0023810 k( 160) = ( 0.0337870 0.0838740 0.7518240), wk = 0.0023810 k( 161) = ( 0.0270296 0.0670992 0.7518240), wk = 0.0023810 k( 162) = ( 0.0202722 0.0503244 0.7518240), wk = 0.0023810 k( 163) = ( 0.0135148 0.0335496 0.7518240), wk = 0.0023810 k( 164) = ( 0.0067574 0.0167748 0.7518240), wk = 0.0023810 k( 165) = ( 0.0000000 0.0000000 0.7518240), wk = 0.0023810 k( 166) = ( 0.0000000 0.0000000 0.7518240), wk = 0.0023810 k( 167) = ( 0.0000000 0.0000000 0.7339234), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.7160229), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.6981223), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.6802217), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.6623212), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.6444206), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.6265200), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.6086194), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.5907189), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.5728183), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.5549177), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.5370172), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.5191166), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.5012160), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.4833154), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.4654149), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.4475143), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.4296137), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.4117131), wk = 0.0023810 k( 186) = ( 0.0000000 0.0000000 0.3938126), wk = 0.0023810 k( 187) = ( 0.0000000 0.0000000 0.3759120), wk = 0.0023810 k( 188) = ( 0.0000000 0.0000000 0.3580114), wk = 0.0023810 k( 189) = ( 0.0000000 0.0000000 0.3401109), wk = 0.0023810 k( 190) = ( 0.0000000 0.0000000 0.3222103), wk = 0.0023810 k( 191) = ( 0.0000000 0.0000000 0.3043097), wk = 0.0023810 k( 192) = ( 0.0000000 0.0000000 0.2864091), wk = 0.0023810 k( 193) = ( 0.0000000 0.0000000 0.2685086), wk = 0.0023810 k( 194) = ( 0.0000000 0.0000000 0.2506080), wk = 0.0023810 k( 195) = ( 0.0000000 0.0000000 0.2327074), wk = 0.0023810 k( 196) = ( 0.0000000 0.0000000 0.2148069), wk = 0.0023810 k( 197) = ( 0.0000000 0.0000000 0.1969063), wk = 0.0023810 k( 198) = ( 0.0000000 0.0000000 0.1790057), wk = 0.0023810 k( 199) = ( 0.0000000 0.0000000 0.1611052), wk = 0.0023810 k( 200) = ( 0.0000000 0.0000000 0.1432046), wk = 0.0023810 k( 201) = ( 0.0000000 0.0000000 0.1253040), wk = 0.0023810 k( 202) = ( 0.0000000 0.0000000 0.1074034), wk = 0.0023810 k( 203) = ( 0.0000000 0.0000000 0.0895029), wk = 0.0023810 k( 204) = ( 0.0000000 0.0000000 0.0716023), wk = 0.0023810 k( 205) = ( 0.0000000 0.0000000 0.0537017), wk = 0.0023810 k( 206) = ( 0.0000000 0.0000000 0.0358011), wk = 0.0023810 k( 207) = ( 0.0000000 0.0000000 0.0179006), wk = 0.0023810 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 210) = ( -0.0166667 0.0067138 -0.0000000), wk = 0.0023810 k( 211) = ( -0.0333333 0.0134277 -0.0000000), wk = 0.0023810 k( 212) = ( -0.0500000 0.0201415 -0.0000000), wk = 0.0023810 k( 213) = ( -0.0666667 0.0268553 -0.0000000), wk = 0.0023810 k( 214) = ( -0.0833333 0.0335692 -0.0000000), wk = 0.0023810 k( 215) = ( -0.1000000 0.0402830 -0.0000000), wk = 0.0023810 k( 216) = ( -0.1166667 0.0469969 -0.0000000), wk = 0.0023810 k( 217) = ( -0.1333333 0.0537107 -0.0000000), wk = 0.0023810 k( 218) = ( -0.1500000 0.0604245 -0.0000000), wk = 0.0023810 k( 219) = ( -0.1666667 0.0671384 -0.0000000), wk = 0.0023810 k( 220) = ( -0.1833333 0.0738522 -0.0000000), wk = 0.0023810 k( 221) = ( -0.2000000 0.0805660 -0.0000000), wk = 0.0023810 k( 222) = ( -0.2166667 0.0872799 0.0000000), wk = 0.0023810 k( 223) = ( -0.2333333 0.0939937 0.0000000), wk = 0.0023810 k( 224) = ( -0.2500000 0.1007075 -0.0000000), wk = 0.0023810 k( 225) = ( -0.2666667 0.1074214 -0.0000000), wk = 0.0023810 k( 226) = ( -0.2833333 0.1141352 -0.0000000), wk = 0.0023810 k( 227) = ( -0.3000000 0.1208491 -0.0000000), wk = 0.0023810 k( 228) = ( -0.3166667 0.1275629 0.0000000), wk = 0.0023810 k( 229) = ( -0.3333333 0.1342767 -0.0000000), wk = 0.0023810 k( 230) = ( -0.3500000 0.1409906 -0.0000000), wk = 0.0023810 k( 231) = ( -0.3666667 0.1477044 0.0000000), wk = 0.0023810 k( 232) = ( -0.3833333 0.1544182 -0.0000000), wk = 0.0023810 k( 233) = ( -0.4000000 0.1611321 -0.0000000), wk = 0.0023810 k( 234) = ( -0.4166667 0.1678459 -0.0000000), wk = 0.0023810 k( 235) = ( -0.4333333 0.1745597 -0.0000000), wk = 0.0023810 k( 236) = ( -0.4500000 0.1812736 -0.0000000), wk = 0.0023810 k( 237) = ( -0.4666667 0.1879874 -0.0000000), wk = 0.0023810 k( 238) = ( -0.4833333 0.1947013 -0.0000000), wk = 0.0023810 k( 239) = ( -0.5000000 0.2014151 -0.0000000), wk = 0.0023810 k( 240) = ( -0.5000000 0.2014151 -0.0000000), wk = 0.0023810 k( 241) = ( -0.4932441 0.2181861 -0.0000000), wk = 0.0023810 k( 242) = ( -0.4864883 0.2349571 -0.0000000), wk = 0.0023810 k( 243) = ( -0.4797324 0.2517281 -0.0000000), wk = 0.0023810 k( 244) = ( -0.4729765 0.2684991 -0.0000000), wk = 0.0023810 k( 245) = ( -0.4662207 0.2852702 -0.0000000), wk = 0.0023810 k( 246) = ( -0.4594648 0.3020412 -0.0000000), wk = 0.0023810 k( 247) = ( -0.4527089 0.3188122 -0.0000000), wk = 0.0023810 k( 248) = ( -0.4459530 0.3355832 -0.0000000), wk = 0.0023810 k( 249) = ( -0.4391972 0.3523542 -0.0000000), wk = 0.0023810 k( 250) = ( -0.4324413 0.3691252 -0.0000000), wk = 0.0023810 k( 251) = ( -0.4256854 0.3858962 -0.0000000), wk = 0.0023810 k( 252) = ( -0.4189296 0.4026672 -0.0000000), wk = 0.0023810 k( 253) = ( -0.4121737 0.4194383 -0.0000000), wk = 0.0023810 k( 254) = ( -0.4054178 0.4362093 -0.0000000), wk = 0.0023810 k( 255) = ( -0.3986619 0.4529803 -0.0000000), wk = 0.0023810 k( 256) = ( -0.3919061 0.4697513 -0.0000000), wk = 0.0023810 k( 257) = ( -0.3851502 0.4865223 -0.0000000), wk = 0.0023810 k( 258) = ( -0.3783943 0.5032933 -0.0000000), wk = 0.0023810 k( 259) = ( -0.3716385 0.5200643 -0.0000000), wk = 0.0023810 k( 260) = ( -0.3648826 0.5368353 -0.0000000), wk = 0.0023810 k( 261) = ( -0.3581267 0.5536063 -0.0000000), wk = 0.0023810 k( 262) = ( -0.3513709 0.5703773 -0.0000000), wk = 0.0023810 k( 263) = ( -0.3446150 0.5871483 -0.0000000), wk = 0.0023810 k( 264) = ( -0.3378591 0.6039194 -0.0000000), wk = 0.0023810 k( 265) = ( -0.3311033 0.6206904 -0.0000000), wk = 0.0023810 k( 266) = ( -0.3243474 0.6374614 -0.0000000), wk = 0.0023810 k( 267) = ( -0.3175915 0.6542324 -0.0000000), wk = 0.0023810 k( 268) = ( -0.3108357 0.6710034 -0.0000000), wk = 0.0023810 k( 269) = ( -0.3040798 0.6877744 -0.0000000), wk = 0.0023810 k( 270) = ( -0.2973239 0.7045454 -0.0000000), wk = 0.0023810 k( 271) = ( -0.2905680 0.7213164 -0.0000000), wk = 0.0023810 k( 272) = ( -0.2905680 0.7213164 -0.0000000), wk = 0.0023810 k( 273) = ( -0.2905680 0.7213164 0.0179006), wk = 0.0023810 k( 274) = ( -0.2905680 0.7213164 0.0358011), wk = 0.0023810 k( 275) = ( -0.2905680 0.7213164 0.0537017), wk = 0.0023810 k( 276) = ( -0.2905680 0.7213164 0.0716023), wk = 0.0023810 k( 277) = ( -0.2905680 0.7213164 0.0895029), wk = 0.0023810 k( 278) = ( -0.2905680 0.7213164 0.1074034), wk = 0.0023810 k( 279) = ( -0.2905680 0.7213164 0.1253040), wk = 0.0023810 k( 280) = ( -0.2905680 0.7213164 0.1432046), wk = 0.0023810 k( 281) = ( -0.2905680 0.7213164 0.1611052), wk = 0.0023810 k( 282) = ( -0.2905680 0.7213164 0.1790057), wk = 0.0023810 k( 283) = ( -0.2905680 0.7213164 0.1969063), wk = 0.0023810 k( 284) = ( -0.2905680 0.7213164 0.2148069), wk = 0.0023810 k( 285) = ( -0.2905680 0.7213164 0.2327074), wk = 0.0023810 k( 286) = ( -0.2905680 0.7213164 0.2506080), wk = 0.0023810 k( 287) = ( -0.2905680 0.7213164 0.2685086), wk = 0.0023810 k( 288) = ( -0.2905680 0.7213164 0.2864091), wk = 0.0023810 k( 289) = ( -0.2905680 0.7213164 0.3043097), wk = 0.0023810 k( 290) = ( -0.2905680 0.7213164 0.3222103), wk = 0.0023810 k( 291) = ( -0.2905680 0.7213164 0.3401109), wk = 0.0023810 k( 292) = ( -0.2905680 0.7213164 0.3580114), wk = 0.0023810 k( 293) = ( -0.2905680 0.7213164 0.3759120), wk = 0.0023810 k( 294) = ( -0.2905680 0.7213164 0.3938126), wk = 0.0023810 k( 295) = ( -0.2905680 0.7213164 0.4117131), wk = 0.0023810 k( 296) = ( -0.2905680 0.7213164 0.4296137), wk = 0.0023810 k( 297) = ( -0.2905680 0.7213164 0.4475143), wk = 0.0023810 k( 298) = ( -0.2905680 0.7213164 0.4654149), wk = 0.0023810 k( 299) = ( -0.2905680 0.7213164 0.4833154), wk = 0.0023810 k( 300) = ( -0.2905680 0.7213164 0.5012160), wk = 0.0023810 k( 301) = ( -0.2905680 0.7213164 0.5191166), wk = 0.0023810 k( 302) = ( -0.2905680 0.7213164 0.5370172), wk = 0.0023810 k( 303) = ( -0.2905680 0.7213164 0.5549177), wk = 0.0023810 k( 304) = ( -0.2905680 0.7213164 0.5728183), wk = 0.0023810 k( 305) = ( -0.2905680 0.7213164 0.5907189), wk = 0.0023810 k( 306) = ( -0.2905680 0.7213164 0.6086194), wk = 0.0023810 k( 307) = ( -0.2905680 0.7213164 0.6265200), wk = 0.0023810 k( 308) = ( -0.2905680 0.7213164 0.6444206), wk = 0.0023810 k( 309) = ( -0.2905680 0.7213164 0.6623212), wk = 0.0023810 k( 310) = ( -0.2905680 0.7213164 0.6802217), wk = 0.0023810 k( 311) = ( -0.2905680 0.7213164 0.6981223), wk = 0.0023810 k( 312) = ( -0.2905680 0.7213164 0.7160229), wk = 0.0023810 k( 313) = ( -0.2905680 0.7213164 0.7339234), wk = 0.0023810 k( 314) = ( -0.2905680 0.7213164 0.7518240), wk = 0.0023810 k( 315) = ( -0.2905680 0.7213164 0.7518240), wk = 0.0023810 k( 316) = ( -0.2973239 0.7045454 0.7518240), wk = 0.0023810 k( 317) = ( -0.3040798 0.6877744 0.7518240), wk = 0.0023810 k( 318) = ( -0.3108357 0.6710034 0.7518240), wk = 0.0023810 k( 319) = ( -0.3175915 0.6542324 0.7518240), wk = 0.0023810 k( 320) = ( -0.3243474 0.6374614 0.7518240), wk = 0.0023810 k( 321) = ( -0.3311033 0.6206904 0.7518240), wk = 0.0023810 k( 322) = ( -0.3378591 0.6039194 0.7518240), wk = 0.0023810 k( 323) = ( -0.3446150 0.5871483 0.7518240), wk = 0.0023810 k( 324) = ( -0.3513709 0.5703773 0.7518240), wk = 0.0023810 k( 325) = ( -0.3581267 0.5536063 0.7518240), wk = 0.0023810 k( 326) = ( -0.3648826 0.5368353 0.7518240), wk = 0.0023810 k( 327) = ( -0.3716385 0.5200643 0.7518240), wk = 0.0023810 k( 328) = ( -0.3783943 0.5032933 0.7518240), wk = 0.0023810 k( 329) = ( -0.3851502 0.4865223 0.7518240), wk = 0.0023810 k( 330) = ( -0.3919061 0.4697513 0.7518240), wk = 0.0023810 k( 331) = ( -0.3986619 0.4529803 0.7518240), wk = 0.0023810 k( 332) = ( -0.4054178 0.4362093 0.7518240), wk = 0.0023810 k( 333) = ( -0.4121737 0.4194383 0.7518240), wk = 0.0023810 k( 334) = ( -0.4189296 0.4026672 0.7518240), wk = 0.0023810 k( 335) = ( -0.4256854 0.3858962 0.7518240), wk = 0.0023810 k( 336) = ( -0.4324413 0.3691252 0.7518240), wk = 0.0023810 k( 337) = ( -0.4391972 0.3523542 0.7518240), wk = 0.0023810 k( 338) = ( -0.4459530 0.3355832 0.7518240), wk = 0.0023810 k( 339) = ( -0.4527089 0.3188122 0.7518240), wk = 0.0023810 k( 340) = ( -0.4594648 0.3020412 0.7518240), wk = 0.0023810 k( 341) = ( -0.4662207 0.2852702 0.7518240), wk = 0.0023810 k( 342) = ( -0.4729765 0.2684991 0.7518240), wk = 0.0023810 k( 343) = ( -0.4797324 0.2517281 0.7518240), wk = 0.0023810 k( 344) = ( -0.4864883 0.2349571 0.7518240), wk = 0.0023810 k( 345) = ( -0.4932441 0.2181861 0.7518240), wk = 0.0023810 k( 346) = ( -0.5000000 0.2014151 0.7518240), wk = 0.0023810 k( 347) = ( -0.5000000 0.2014151 0.7518240), wk = 0.0023810 k( 348) = ( -0.5000000 0.2014151 0.7339234), wk = 0.0023810 k( 349) = ( -0.5000000 0.2014151 0.7160229), wk = 0.0023810 k( 350) = ( -0.5000000 0.2014151 0.6981223), wk = 0.0023810 k( 351) = ( -0.5000000 0.2014151 0.6802217), wk = 0.0023810 k( 352) = ( -0.5000000 0.2014151 0.6623212), wk = 0.0023810 k( 353) = ( -0.5000000 0.2014151 0.6444206), wk = 0.0023810 k( 354) = ( -0.5000000 0.2014151 0.6265200), wk = 0.0023810 k( 355) = ( -0.5000000 0.2014151 0.6086194), wk = 0.0023810 k( 356) = ( -0.5000000 0.2014151 0.5907189), wk = 0.0023810 k( 357) = ( -0.5000000 0.2014151 0.5728183), wk = 0.0023810 k( 358) = ( -0.5000000 0.2014151 0.5549177), wk = 0.0023810 k( 359) = ( -0.5000000 0.2014151 0.5370172), wk = 0.0023810 k( 360) = ( -0.5000000 0.2014151 0.5191166), wk = 0.0023810 k( 361) = ( -0.5000000 0.2014151 0.5012160), wk = 0.0023810 k( 362) = ( -0.5000000 0.2014151 0.4833154), wk = 0.0023810 k( 363) = ( -0.5000000 0.2014151 0.4654149), wk = 0.0023810 k( 364) = ( -0.5000000 0.2014151 0.4475143), wk = 0.0023810 k( 365) = ( -0.5000000 0.2014151 0.4296137), wk = 0.0023810 k( 366) = ( -0.5000000 0.2014151 0.4117131), wk = 0.0023810 k( 367) = ( -0.5000000 0.2014151 0.3938126), wk = 0.0023810 k( 368) = ( -0.5000000 0.2014151 0.3759120), wk = 0.0023810 k( 369) = ( -0.5000000 0.2014151 0.3580114), wk = 0.0023810 k( 370) = ( -0.5000000 0.2014151 0.3401109), wk = 0.0023810 k( 371) = ( -0.5000000 0.2014151 0.3222103), wk = 0.0023810 k( 372) = ( -0.5000000 0.2014151 0.3043097), wk = 0.0023810 k( 373) = ( -0.5000000 0.2014151 0.2864091), wk = 0.0023810 k( 374) = ( -0.5000000 0.2014151 0.2685086), wk = 0.0023810 k( 375) = ( -0.5000000 0.2014151 0.2506080), wk = 0.0023810 k( 376) = ( -0.5000000 0.2014151 0.2327074), wk = 0.0023810 k( 377) = ( -0.5000000 0.2014151 0.2148069), wk = 0.0023810 k( 378) = ( -0.5000000 0.2014151 0.1969063), wk = 0.0023810 k( 379) = ( -0.5000000 0.2014151 0.1790057), wk = 0.0023810 k( 380) = ( -0.5000000 0.2014151 0.1611052), wk = 0.0023810 k( 381) = ( -0.5000000 0.2014151 0.1432046), wk = 0.0023810 k( 382) = ( -0.5000000 0.2014151 0.1253040), wk = 0.0023810 k( 383) = ( -0.5000000 0.2014151 0.1074034), wk = 0.0023810 k( 384) = ( -0.5000000 0.2014151 0.0895029), wk = 0.0023810 k( 385) = ( -0.5000000 0.2014151 0.0716023), wk = 0.0023810 k( 386) = ( -0.5000000 0.2014151 0.0537017), wk = 0.0023810 k( 387) = ( -0.5000000 0.2014151 0.0358011), wk = 0.0023810 k( 388) = ( -0.5000000 0.2014151 0.0179006), wk = 0.0023810 k( 389) = ( -0.5000000 0.2014151 -0.0000000), wk = 0.0023810 k( 390) = ( 0.0000000 0.0000000 0.7518240), wk = 0.0023810 k( 391) = ( -0.0166667 0.0067138 0.7518240), wk = 0.0023810 k( 392) = ( -0.0333333 0.0134277 0.7518240), wk = 0.0023810 k( 393) = ( -0.0500000 0.0201415 0.7518240), wk = 0.0023810 k( 394) = ( -0.0666667 0.0268553 0.7518240), wk = 0.0023810 k( 395) = ( -0.0833333 0.0335692 0.7518240), wk = 0.0023810 k( 396) = ( -0.1000000 0.0402830 0.7518240), wk = 0.0023810 k( 397) = ( -0.1166667 0.0469969 0.7518240), wk = 0.0023810 k( 398) = ( -0.1333333 0.0537107 0.7518240), wk = 0.0023810 k( 399) = ( -0.1500000 0.0604245 0.7518240), wk = 0.0023810 k( 400) = ( -0.1666667 0.0671384 0.7518240), wk = 0.0023810 k( 401) = ( -0.1833333 0.0738522 0.7518240), wk = 0.0023810 k( 402) = ( -0.2000000 0.0805660 0.7518240), wk = 0.0023810 k( 403) = ( -0.2166667 0.0872799 0.7518240), wk = 0.0023810 k( 404) = ( -0.2333333 0.0939937 0.7518240), wk = 0.0023810 k( 405) = ( -0.2500000 0.1007075 0.7518240), wk = 0.0023810 k( 406) = ( -0.2666667 0.1074214 0.7518240), wk = 0.0023810 k( 407) = ( -0.2833333 0.1141352 0.7518240), wk = 0.0023810 k( 408) = ( -0.3000000 0.1208491 0.7518240), wk = 0.0023810 k( 409) = ( -0.3166667 0.1275629 0.7518240), wk = 0.0023810 k( 410) = ( -0.3333333 0.1342767 0.7518240), wk = 0.0023810 k( 411) = ( -0.3500000 0.1409906 0.7518240), wk = 0.0023810 k( 412) = ( -0.3666667 0.1477044 0.7518240), wk = 0.0023810 k( 413) = ( -0.3833333 0.1544182 0.7518240), wk = 0.0023810 k( 414) = ( -0.4000000 0.1611321 0.7518240), wk = 0.0023810 k( 415) = ( -0.4166667 0.1678459 0.7518240), wk = 0.0023810 k( 416) = ( -0.4333333 0.1745597 0.7518240), wk = 0.0023810 k( 417) = ( -0.4500000 0.1812736 0.7518240), wk = 0.0023810 k( 418) = ( -0.4666667 0.1879874 0.7518240), wk = 0.0023810 k( 419) = ( -0.4833333 0.1947013 0.7518240), wk = 0.0023810 k( 420) = ( -0.5000000 0.2014151 0.7518240), wk = 0.0023810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0067574 0.0067574 0.0000000), wk = 0.0023810 k( 3) = ( 0.0135148 0.0135148 -0.0000000), wk = 0.0023810 k( 4) = ( 0.0202722 0.0202722 0.0000000), wk = 0.0023810 k( 5) = ( 0.0270296 0.0270296 0.0000000), wk = 0.0023810 k( 6) = ( 0.0337870 0.0337870 -0.0000000), wk = 0.0023810 k( 7) = ( 0.0405444 0.0405444 0.0000000), wk = 0.0023810 k( 8) = ( 0.0473018 0.0473018 -0.0000000), wk = 0.0023810 k( 9) = ( 0.0540592 0.0540592 0.0000000), wk = 0.0023810 k( 10) = ( 0.0608166 0.0608166 0.0000000), wk = 0.0023810 k( 11) = ( 0.0675740 0.0675740 -0.0000000), wk = 0.0023810 k( 12) = ( 0.0743314 0.0743314 0.0000000), wk = 0.0023810 k( 13) = ( 0.0810888 0.0810888 0.0000000), wk = 0.0023810 k( 14) = ( 0.0878461 0.0878461 -0.0000000), wk = 0.0023810 k( 15) = ( 0.0946035 0.0946035 -0.0000000), wk = 0.0023810 k( 16) = ( 0.1013609 0.1013609 -0.0000000), wk = 0.0023810 k( 17) = ( 0.1081183 0.1081183 0.0000000), wk = 0.0023810 k( 18) = ( 0.1148757 0.1148757 0.0000000), wk = 0.0023810 k( 19) = ( 0.1216331 0.1216331 -0.0000000), wk = 0.0023810 k( 20) = ( 0.1283905 0.1283905 0.0000000), wk = 0.0023810 k( 21) = ( 0.1351479 0.1351479 0.0000000), wk = 0.0023810 k( 22) = ( 0.1419053 0.1419053 0.0000000), wk = 0.0023810 k( 23) = ( 0.1486627 0.1486627 0.0000000), wk = 0.0023810 k( 24) = ( 0.1554201 0.1554201 0.0000000), wk = 0.0023810 k( 25) = ( 0.1621775 0.1621775 -0.0000000), wk = 0.0023810 k( 26) = ( 0.1689349 0.1689349 0.0000000), wk = 0.0023810 k( 27) = ( 0.1756923 0.1756923 -0.0000000), wk = 0.0023810 k( 28) = ( 0.1824497 0.1824497 0.0000000), wk = 0.0023810 k( 29) = ( 0.1892071 0.1892071 -0.0000000), wk = 0.0023810 k( 30) = ( 0.1959645 0.1959645 0.0000000), wk = 0.0023810 k( 31) = ( 0.2027219 0.2027219 0.0000000), wk = 0.0023810 k( 32) = ( 0.2094793 0.2094793 0.0000000), wk = 0.0023810 k( 33) = ( 0.2162367 0.2162367 0.0000000), wk = 0.0023810 k( 34) = ( 0.2229941 0.2229941 -0.0000000), wk = 0.0023810 k( 35) = ( 0.2297515 0.2297515 -0.0000000), wk = 0.0023810 k( 36) = ( 0.2365089 0.2365089 -0.0000000), wk = 0.0023810 k( 37) = ( 0.2432663 0.2432663 0.0000000), wk = 0.0023810 k( 38) = ( 0.2500237 0.2500237 0.0000000), wk = 0.0023810 k( 39) = ( 0.2567811 0.2567811 0.0000000), wk = 0.0023810 k( 40) = ( 0.2635385 0.2635385 -0.0000000), wk = 0.0023810 k( 41) = ( 0.2702959 0.2702959 0.0000000), wk = 0.0023810 k( 42) = ( 0.2770532 0.2770532 -0.0000000), wk = 0.0023810 k( 43) = ( 0.2838106 0.2838106 0.0000000), wk = 0.0023810 k( 44) = ( 0.2905680 0.2905680 -0.0000000), wk = 0.0023810 k( 45) = ( 0.2905680 0.2905680 -0.0000000), wk = 0.0023810 k( 46) = ( 0.2724075 0.3036575 -0.0000000), wk = 0.0023810 k( 47) = ( 0.2542470 0.3167470 0.0000000), wk = 0.0023810 k( 48) = ( 0.2360865 0.3298365 -0.0000000), wk = 0.0023810 k( 49) = ( 0.2179260 0.3429260 0.0000000), wk = 0.0023810 k( 50) = ( 0.1997655 0.3560155 0.0000000), wk = 0.0023810 k( 51) = ( 0.1816050 0.3691050 0.0000000), wk = 0.0023810 k( 52) = ( 0.1634445 0.3821945 -0.0000000), wk = 0.0023810 k( 53) = ( 0.1452840 0.3952840 0.0000000), wk = 0.0023810 k( 54) = ( 0.1271235 0.4083735 -0.0000000), wk = 0.0023810 k( 55) = ( 0.1089630 0.4214630 0.0000000), wk = 0.0023810 k( 56) = ( 0.0908025 0.4345525 -0.0000000), wk = 0.0023810 k( 57) = ( 0.0726420 0.4476420 0.0000000), wk = 0.0023810 k( 58) = ( 0.0544815 0.4607315 -0.0000000), wk = 0.0023810 k( 59) = ( 0.0363210 0.4738210 0.0000000), wk = 0.0023810 k( 60) = ( 0.0181605 0.4869105 -0.0000000), wk = 0.0023810 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023810 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023810 k( 63) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0023810 k( 64) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0023810 k( 65) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0023810 k( 66) = ( 0.0000000 0.5000000 0.0476190), wk = 0.0023810 k( 67) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0023810 k( 68) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0023810 k( 69) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0023810 k( 70) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0023810 k( 71) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0023810 k( 72) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0023810 k( 73) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0023810 k( 74) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0023810 k( 75) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0023810 k( 76) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0023810 k( 77) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0023810 k( 78) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0023810 k( 79) = ( 0.0000000 0.5000000 0.2023809), wk = 0.0023810 k( 80) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0023810 k( 81) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0023810 k( 82) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0023810 k( 83) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023810 k( 84) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0023810 k( 85) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0023810 k( 86) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0023810 k( 87) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0023810 k( 88) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0023810 k( 89) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0023810 k( 90) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0023810 k( 91) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0023810 k( 92) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0023810 k( 93) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0023810 k( 94) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0023810 k( 95) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0023810 k( 96) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0023810 k( 97) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0023810 k( 98) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0023810 k( 99) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0023810 k( 100) = ( 0.0000000 0.5000000 0.4523809), wk = 0.0023810 k( 101) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0023810 k( 102) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0023810 k( 103) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0023810 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 106) = ( 0.0181605 0.4869105 0.5000000), wk = 0.0023810 k( 107) = ( 0.0363210 0.4738210 0.5000000), wk = 0.0023810 k( 108) = ( 0.0544815 0.4607315 0.5000000), wk = 0.0023810 k( 109) = ( 0.0726420 0.4476420 0.5000000), wk = 0.0023810 k( 110) = ( 0.0908025 0.4345525 0.5000000), wk = 0.0023810 k( 111) = ( 0.1089630 0.4214630 0.5000000), wk = 0.0023810 k( 112) = ( 0.1271235 0.4083735 0.5000000), wk = 0.0023810 k( 113) = ( 0.1452840 0.3952840 0.5000000), wk = 0.0023810 k( 114) = ( 0.1634445 0.3821945 0.5000000), wk = 0.0023810 k( 115) = ( 0.1816050 0.3691050 0.5000000), wk = 0.0023810 k( 116) = ( 0.1997655 0.3560155 0.5000000), wk = 0.0023810 k( 117) = ( 0.2179260 0.3429260 0.5000000), wk = 0.0023810 k( 118) = ( 0.2360865 0.3298365 0.5000000), wk = 0.0023810 k( 119) = ( 0.2542470 0.3167470 0.5000000), wk = 0.0023810 k( 120) = ( 0.2724075 0.3036575 0.5000000), wk = 0.0023810 k( 121) = ( 0.2905680 0.2905680 0.5000000), wk = 0.0023810 k( 122) = ( 0.2905680 0.2905680 0.5000000), wk = 0.0023810 k( 123) = ( 0.2838106 0.2838106 0.5000000), wk = 0.0023810 k( 124) = ( 0.2770532 0.2770532 0.5000000), wk = 0.0023810 k( 125) = ( 0.2702959 0.2702959 0.5000000), wk = 0.0023810 k( 126) = ( 0.2635385 0.2635385 0.5000000), wk = 0.0023810 k( 127) = ( 0.2567811 0.2567811 0.5000000), wk = 0.0023810 k( 128) = ( 0.2500237 0.2500237 0.5000000), wk = 0.0023810 k( 129) = ( 0.2432663 0.2432663 0.5000000), wk = 0.0023810 k( 130) = ( 0.2365089 0.2365089 0.5000000), wk = 0.0023810 k( 131) = ( 0.2297515 0.2297515 0.5000000), wk = 0.0023810 k( 132) = ( 0.2229941 0.2229941 0.5000000), wk = 0.0023810 k( 133) = ( 0.2162367 0.2162367 0.5000000), wk = 0.0023810 k( 134) = ( 0.2094793 0.2094793 0.5000000), wk = 0.0023810 k( 135) = ( 0.2027219 0.2027219 0.5000000), wk = 0.0023810 k( 136) = ( 0.1959645 0.1959645 0.5000000), wk = 0.0023810 k( 137) = ( 0.1892071 0.1892071 0.5000000), wk = 0.0023810 k( 138) = ( 0.1824497 0.1824497 0.5000000), wk = 0.0023810 k( 139) = ( 0.1756923 0.1756923 0.5000000), wk = 0.0023810 k( 140) = ( 0.1689349 0.1689349 0.5000000), wk = 0.0023810 k( 141) = ( 0.1621775 0.1621775 0.5000000), wk = 0.0023810 k( 142) = ( 0.1554201 0.1554201 0.5000000), wk = 0.0023810 k( 143) = ( 0.1486627 0.1486627 0.5000000), wk = 0.0023810 k( 144) = ( 0.1419053 0.1419053 0.5000000), wk = 0.0023810 k( 145) = ( 0.1351479 0.1351479 0.5000000), wk = 0.0023810 k( 146) = ( 0.1283905 0.1283905 0.5000000), wk = 0.0023810 k( 147) = ( 0.1216331 0.1216331 0.5000000), wk = 0.0023810 k( 148) = ( 0.1148757 0.1148757 0.5000000), wk = 0.0023810 k( 149) = ( 0.1081183 0.1081183 0.5000000), wk = 0.0023810 k( 150) = ( 0.1013609 0.1013609 0.5000000), wk = 0.0023810 k( 151) = ( 0.0946035 0.0946035 0.5000000), wk = 0.0023810 k( 152) = ( 0.0878461 0.0878461 0.5000000), wk = 0.0023810 k( 153) = ( 0.0810888 0.0810888 0.5000000), wk = 0.0023810 k( 154) = ( 0.0743314 0.0743314 0.5000000), wk = 0.0023810 k( 155) = ( 0.0675740 0.0675740 0.5000000), wk = 0.0023810 k( 156) = ( 0.0608166 0.0608166 0.5000000), wk = 0.0023810 k( 157) = ( 0.0540592 0.0540592 0.5000000), wk = 0.0023810 k( 158) = ( 0.0473018 0.0473018 0.5000000), wk = 0.0023810 k( 159) = ( 0.0405444 0.0405444 0.5000000), wk = 0.0023810 k( 160) = ( 0.0337870 0.0337870 0.5000000), wk = 0.0023810 k( 161) = ( 0.0270296 0.0270296 0.5000000), wk = 0.0023810 k( 162) = ( 0.0202722 0.0202722 0.5000000), wk = 0.0023810 k( 163) = ( 0.0135148 0.0135148 0.5000000), wk = 0.0023810 k( 164) = ( 0.0067574 0.0067574 0.5000000), wk = 0.0023810 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 167) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0023810 k( 186) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0023810 k( 187) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023810 k( 188) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0023810 k( 189) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0023810 k( 190) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0023810 k( 191) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0023810 k( 192) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0023810 k( 193) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0023810 k( 194) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023810 k( 195) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0023810 k( 196) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0023810 k( 197) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0023810 k( 198) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0023810 k( 199) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0023810 k( 200) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0023810 k( 201) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0023810 k( 202) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0023810 k( 203) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0023810 k( 204) = ( 0.0000000 0.0000000 0.0476190), wk = 0.0023810 k( 205) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0023810 k( 206) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0023810 k( 207) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0023810 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 210) = ( -0.0166667 0.0166667 -0.0000000), wk = 0.0023810 k( 211) = ( -0.0333333 0.0333333 -0.0000000), wk = 0.0023810 k( 212) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0023810 k( 213) = ( -0.0666667 0.0666667 -0.0000000), wk = 0.0023810 k( 214) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0023810 k( 215) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0023810 k( 216) = ( -0.1166667 0.1166667 -0.0000000), wk = 0.0023810 k( 217) = ( -0.1333333 0.1333333 -0.0000000), wk = 0.0023810 k( 218) = ( -0.1500000 0.1500000 -0.0000000), wk = 0.0023810 k( 219) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0023810 k( 220) = ( -0.1833333 0.1833333 -0.0000000), wk = 0.0023810 k( 221) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0023810 k( 222) = ( -0.2166667 0.2166667 -0.0000000), wk = 0.0023810 k( 223) = ( -0.2333333 0.2333333 0.0000000), wk = 0.0023810 k( 224) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0023810 k( 225) = ( -0.2666667 0.2666667 -0.0000000), wk = 0.0023810 k( 226) = ( -0.2833333 0.2833333 -0.0000000), wk = 0.0023810 k( 227) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0023810 k( 228) = ( -0.3166667 0.3166667 0.0000000), wk = 0.0023810 k( 229) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0023810 k( 230) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0023810 k( 231) = ( -0.3666667 0.3666667 0.0000000), wk = 0.0023810 k( 232) = ( -0.3833333 0.3833333 -0.0000000), wk = 0.0023810 k( 233) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0023810 k( 234) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0023810 k( 235) = ( -0.4333333 0.4333333 -0.0000000), wk = 0.0023810 k( 236) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0023810 k( 237) = ( -0.4666667 0.4666667 -0.0000000), wk = 0.0023810 k( 238) = ( -0.4833333 0.4833333 -0.0000000), wk = 0.0023810 k( 239) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 240) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 241) = ( -0.4932441 0.5067559 0.0000000), wk = 0.0023810 k( 242) = ( -0.4864883 0.5135117 -0.0000000), wk = 0.0023810 k( 243) = ( -0.4797324 0.5202676 0.0000000), wk = 0.0023810 k( 244) = ( -0.4729765 0.5270235 -0.0000000), wk = 0.0023810 k( 245) = ( -0.4662207 0.5337793 0.0000000), wk = 0.0023810 k( 246) = ( -0.4594648 0.5405352 -0.0000000), wk = 0.0023810 k( 247) = ( -0.4527089 0.5472911 -0.0000000), wk = 0.0023810 k( 248) = ( -0.4459530 0.5540470 -0.0000000), wk = 0.0023810 k( 249) = ( -0.4391972 0.5608028 0.0000000), wk = 0.0023810 k( 250) = ( -0.4324413 0.5675587 -0.0000000), wk = 0.0023810 k( 251) = ( -0.4256854 0.5743146 0.0000000), wk = 0.0023810 k( 252) = ( -0.4189296 0.5810704 -0.0000000), wk = 0.0023810 k( 253) = ( -0.4121737 0.5878263 0.0000000), wk = 0.0023810 k( 254) = ( -0.4054178 0.5945822 -0.0000000), wk = 0.0023810 k( 255) = ( -0.3986619 0.6013380 -0.0000000), wk = 0.0023810 k( 256) = ( -0.3919061 0.6080939 -0.0000000), wk = 0.0023810 k( 257) = ( -0.3851502 0.6148498 0.0000000), wk = 0.0023810 k( 258) = ( -0.3783943 0.6216057 0.0000000), wk = 0.0023810 k( 259) = ( -0.3716385 0.6283615 0.0000000), wk = 0.0023810 k( 260) = ( -0.3648826 0.6351174 -0.0000000), wk = 0.0023810 k( 261) = ( -0.3581267 0.6418733 -0.0000000), wk = 0.0023810 k( 262) = ( -0.3513709 0.6486291 -0.0000000), wk = 0.0023810 k( 263) = ( -0.3446150 0.6553850 0.0000000), wk = 0.0023810 k( 264) = ( -0.3378591 0.6621409 -0.0000000), wk = 0.0023810 k( 265) = ( -0.3311033 0.6688967 -0.0000000), wk = 0.0023810 k( 266) = ( -0.3243474 0.6756526 -0.0000000), wk = 0.0023810 k( 267) = ( -0.3175915 0.6824085 -0.0000000), wk = 0.0023810 k( 268) = ( -0.3108357 0.6891643 -0.0000000), wk = 0.0023810 k( 269) = ( -0.3040798 0.6959202 -0.0000000), wk = 0.0023810 k( 270) = ( -0.2973239 0.7026761 -0.0000000), wk = 0.0023810 k( 271) = ( -0.2905680 0.7094320 -0.0000000), wk = 0.0023810 k( 272) = ( -0.2905680 0.7094320 -0.0000000), wk = 0.0023810 k( 273) = ( -0.2905680 0.7094320 0.0119048), wk = 0.0023810 k( 274) = ( -0.2905680 0.7094320 0.0238095), wk = 0.0023810 k( 275) = ( -0.2905680 0.7094320 0.0357143), wk = 0.0023810 k( 276) = ( -0.2905680 0.7094320 0.0476190), wk = 0.0023810 k( 277) = ( -0.2905680 0.7094320 0.0595238), wk = 0.0023810 k( 278) = ( -0.2905680 0.7094320 0.0714286), wk = 0.0023810 k( 279) = ( -0.2905680 0.7094320 0.0833333), wk = 0.0023810 k( 280) = ( -0.2905680 0.7094320 0.0952381), wk = 0.0023810 k( 281) = ( -0.2905680 0.7094320 0.1071429), wk = 0.0023810 k( 282) = ( -0.2905680 0.7094320 0.1190476), wk = 0.0023810 k( 283) = ( -0.2905680 0.7094320 0.1309524), wk = 0.0023810 k( 284) = ( -0.2905680 0.7094320 0.1428571), wk = 0.0023810 k( 285) = ( -0.2905680 0.7094320 0.1547619), wk = 0.0023810 k( 286) = ( -0.2905680 0.7094320 0.1666667), wk = 0.0023810 k( 287) = ( -0.2905680 0.7094320 0.1785714), wk = 0.0023810 k( 288) = ( -0.2905680 0.7094320 0.1904762), wk = 0.0023810 k( 289) = ( -0.2905680 0.7094320 0.2023809), wk = 0.0023810 k( 290) = ( -0.2905680 0.7094320 0.2142857), wk = 0.0023810 k( 291) = ( -0.2905680 0.7094320 0.2261905), wk = 0.0023810 k( 292) = ( -0.2905680 0.7094320 0.2380952), wk = 0.0023810 k( 293) = ( -0.2905680 0.7094320 0.2500000), wk = 0.0023810 k( 294) = ( -0.2905680 0.7094320 0.2619048), wk = 0.0023810 k( 295) = ( -0.2905680 0.7094320 0.2738095), wk = 0.0023810 k( 296) = ( -0.2905680 0.7094320 0.2857143), wk = 0.0023810 k( 297) = ( -0.2905680 0.7094320 0.2976190), wk = 0.0023810 k( 298) = ( -0.2905680 0.7094320 0.3095238), wk = 0.0023810 k( 299) = ( -0.2905680 0.7094320 0.3214286), wk = 0.0023810 k( 300) = ( -0.2905680 0.7094320 0.3333333), wk = 0.0023810 k( 301) = ( -0.2905680 0.7094320 0.3452381), wk = 0.0023810 k( 302) = ( -0.2905680 0.7094320 0.3571429), wk = 0.0023810 k( 303) = ( -0.2905680 0.7094320 0.3690476), wk = 0.0023810 k( 304) = ( -0.2905680 0.7094320 0.3809524), wk = 0.0023810 k( 305) = ( -0.2905680 0.7094320 0.3928571), wk = 0.0023810 k( 306) = ( -0.2905680 0.7094320 0.4047619), wk = 0.0023810 k( 307) = ( -0.2905680 0.7094320 0.4166667), wk = 0.0023810 k( 308) = ( -0.2905680 0.7094320 0.4285714), wk = 0.0023810 k( 309) = ( -0.2905680 0.7094320 0.4404762), wk = 0.0023810 k( 310) = ( -0.2905680 0.7094320 0.4523810), wk = 0.0023810 k( 311) = ( -0.2905680 0.7094320 0.4642857), wk = 0.0023810 k( 312) = ( -0.2905680 0.7094320 0.4761905), wk = 0.0023810 k( 313) = ( -0.2905680 0.7094320 0.4880952), wk = 0.0023810 k( 314) = ( -0.2905680 0.7094320 0.5000000), wk = 0.0023810 k( 315) = ( -0.2905680 0.7094320 0.5000000), wk = 0.0023810 k( 316) = ( -0.2973239 0.7026761 0.5000000), wk = 0.0023810 k( 317) = ( -0.3040798 0.6959202 0.5000000), wk = 0.0023810 k( 318) = ( -0.3108357 0.6891643 0.5000000), wk = 0.0023810 k( 319) = ( -0.3175915 0.6824085 0.5000000), wk = 0.0023810 k( 320) = ( -0.3243474 0.6756526 0.5000000), wk = 0.0023810 k( 321) = ( -0.3311033 0.6688967 0.5000000), wk = 0.0023810 k( 322) = ( -0.3378591 0.6621409 0.5000000), wk = 0.0023810 k( 323) = ( -0.3446150 0.6553850 0.5000000), wk = 0.0023810 k( 324) = ( -0.3513709 0.6486291 0.5000000), wk = 0.0023810 k( 325) = ( -0.3581267 0.6418733 0.5000000), wk = 0.0023810 k( 326) = ( -0.3648826 0.6351174 0.5000000), wk = 0.0023810 k( 327) = ( -0.3716385 0.6283615 0.5000000), wk = 0.0023810 k( 328) = ( -0.3783943 0.6216057 0.5000000), wk = 0.0023810 k( 329) = ( -0.3851502 0.6148498 0.5000000), wk = 0.0023810 k( 330) = ( -0.3919061 0.6080939 0.5000000), wk = 0.0023810 k( 331) = ( -0.3986619 0.6013380 0.5000000), wk = 0.0023810 k( 332) = ( -0.4054178 0.5945822 0.5000000), wk = 0.0023810 k( 333) = ( -0.4121737 0.5878263 0.5000000), wk = 0.0023810 k( 334) = ( -0.4189296 0.5810704 0.5000000), wk = 0.0023810 k( 335) = ( -0.4256854 0.5743146 0.5000000), wk = 0.0023810 k( 336) = ( -0.4324413 0.5675587 0.5000000), wk = 0.0023810 k( 337) = ( -0.4391972 0.5608028 0.5000000), wk = 0.0023810 k( 338) = ( -0.4459530 0.5540470 0.5000000), wk = 0.0023810 k( 339) = ( -0.4527089 0.5472911 0.5000000), wk = 0.0023810 k( 340) = ( -0.4594648 0.5405352 0.5000000), wk = 0.0023810 k( 341) = ( -0.4662207 0.5337793 0.5000000), wk = 0.0023810 k( 342) = ( -0.4729765 0.5270235 0.5000000), wk = 0.0023810 k( 343) = ( -0.4797324 0.5202676 0.5000000), wk = 0.0023810 k( 344) = ( -0.4864883 0.5135117 0.5000000), wk = 0.0023810 k( 345) = ( -0.4932441 0.5067559 0.5000000), wk = 0.0023810 k( 346) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 347) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 348) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0023810 k( 349) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0023810 k( 350) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0023810 k( 351) = ( -0.5000000 0.5000000 0.4523810), wk = 0.0023810 k( 352) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0023810 k( 353) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0023810 k( 354) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0023810 k( 355) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0023810 k( 356) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0023810 k( 357) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0023810 k( 358) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0023810 k( 359) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0023810 k( 360) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0023810 k( 361) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0023810 k( 362) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0023810 k( 363) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0023810 k( 364) = ( -0.5000000 0.5000000 0.2976190), wk = 0.0023810 k( 365) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0023810 k( 366) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0023810 k( 367) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0023810 k( 368) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0023810 k( 369) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0023810 k( 370) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0023810 k( 371) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0023810 k( 372) = ( -0.5000000 0.5000000 0.2023809), wk = 0.0023810 k( 373) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0023810 k( 374) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0023810 k( 375) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0023810 k( 376) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0023810 k( 377) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0023810 k( 378) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0023810 k( 379) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0023810 k( 380) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0023810 k( 381) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0023810 k( 382) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0023810 k( 383) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0023810 k( 384) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0023810 k( 385) = ( -0.5000000 0.5000000 0.0476190), wk = 0.0023810 k( 386) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0023810 k( 387) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0023810 k( 388) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0023810 k( 389) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023810 k( 390) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 391) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0023810 k( 392) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0023810 k( 393) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0023810 k( 394) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0023810 k( 395) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0023810 k( 396) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0023810 k( 397) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0023810 k( 398) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0023810 k( 399) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0023810 k( 400) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0023810 k( 401) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0023810 k( 402) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0023810 k( 403) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0023810 k( 404) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0023810 k( 405) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0023810 k( 406) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0023810 k( 407) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0023810 k( 408) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0023810 k( 409) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0023810 k( 410) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0023810 k( 411) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0023810 k( 412) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0023810 k( 413) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0023810 k( 414) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0023810 k( 415) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0023810 k( 416) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0023810 k( 417) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0023810 k( 418) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0023810 k( 419) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0023810 k( 420) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023810 Dense grid: 40631 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 22845 G-vectors FFT dimensions: ( 45, 45, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 124, 38) NL pseudopotentials 0.09 Mb ( 62, 96) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 846) G-vector shells 0.00 Mb ( 440) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 124, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.11 Mb ( 96, 2, 38) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./YSi.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.9 secs Computing kpt #: 2 total cpu time spent up to now is 43.2 secs Computing kpt #: 3 total cpu time spent up to now is 44.4 secs Computing kpt #: 4 total cpu time spent up to now is 45.3 secs Computing kpt #: 5 total cpu time spent up to now is 46.6 secs Computing kpt #: 6 total cpu time spent up to now is 47.7 secs Computing kpt #: 7 total cpu time spent up to now is 49.2 secs Computing kpt #: 8 total cpu time spent up to now is 50.3 secs Computing kpt #: 9 total cpu time spent up to now is 51.2 secs Computing kpt #: 10 total cpu time spent up to now is 52.2 secs Computing kpt #: 11 total cpu time spent up to now is 53.2 secs Computing kpt #: 12 total cpu time spent up to now is 54.1 secs Computing kpt #: 13 total cpu time spent up to now is 55.1 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 57.9 secs Computing kpt #: 17 total cpu time spent up to now is 58.8 secs Computing kpt #: 18 total cpu time spent up to now is 59.8 secs Computing kpt #: 19 total cpu time spent up to now is 60.7 secs Computing kpt #: 20 total cpu time spent up to now is 61.6 secs Computing kpt #: 21 total cpu time spent up to now is 62.7 secs Computing kpt #: 22 total cpu time spent up to now is 63.5 secs Computing kpt #: 23 total cpu time spent up to now is 64.2 secs Computing kpt #: 24 total cpu time spent up to now is 65.1 secs Computing kpt #: 25 total cpu time spent up to now is 66.2 secs Computing kpt #: 26 total cpu time spent up to now is 67.8 secs Computing kpt #: 27 total cpu time spent up to now is 68.7 secs Computing kpt #: 28 total cpu time spent up to now is 69.5 secs Computing kpt #: 29 total cpu time spent up to now is 70.7 secs Computing kpt #: 30 total cpu time spent up to now is 71.8 secs Computing kpt #: 31 total cpu time spent up to now is 72.8 secs Computing kpt #: 32 total cpu time spent up to now is 73.7 secs Computing kpt #: 33 total cpu time spent up to now is 74.6 secs Computing kpt #: 34 total cpu time spent up to now is 75.5 secs Computing kpt #: 35 total cpu time spent up to now is 76.3 secs Computing kpt #: 36 total cpu time spent up to now is 77.2 secs Computing kpt #: 37 total cpu time spent up to now is 78.2 secs Computing kpt #: 38 total cpu time spent up to now is 79.1 secs Computing kpt #: 39 total cpu time spent up to now is 79.9 secs Computing kpt #: 40 total cpu time spent up to now is 80.8 secs Computing kpt #: 41 total cpu time spent up to now is 81.8 secs Computing kpt #: 42 total cpu time spent up to now is 82.6 secs Computing kpt #: 43 total cpu time spent up to now is 83.6 secs Computing kpt #: 44 total cpu time spent up to now is 84.5 secs Computing kpt #: 45 total cpu time spent up to now is 85.5 secs Computing kpt #: 46 total cpu time spent up to now is 86.3 secs Computing kpt #: 47 total cpu time spent up to now is 87.3 secs Computing kpt #: 48 total cpu time spent up to now is 88.1 secs Computing kpt #: 49 total cpu time spent up to now is 89.1 secs Computing kpt #: 50 total cpu time spent up to now is 90.6 secs Computing kpt #: 51 total cpu time spent up to now is 91.8 secs Computing kpt #: 52 total cpu time spent up to now is 92.7 secs Computing kpt #: 53 total cpu time spent up to now is 93.7 secs Computing kpt #: 54 total cpu time spent up to now is 95.4 secs Computing kpt #: 55 total cpu time spent up to now is 96.5 secs Computing kpt #: 56 total cpu time spent up to now is 98.2 secs Computing kpt #: 57 total cpu time spent up to now is 99.5 secs Computing kpt #: 58 total cpu time spent up to now is 100.5 secs Computing kpt #: 59 total cpu time spent up to now is 101.8 secs Computing kpt #: 60 total cpu time spent up to now is 102.7 secs Computing kpt #: 61 total cpu time spent up to now is 103.7 secs Computing kpt #: 62 total cpu time spent up to now is 104.8 secs Computing kpt #: 63 total cpu time spent up to now is 105.9 secs Computing kpt #: 64 total cpu time spent up to now is 106.9 secs Computing kpt #: 65 total cpu time spent up to now is 107.7 secs Computing kpt #: 66 total cpu time spent up to now is 108.6 secs Computing kpt #: 67 total cpu time spent up to now is 109.5 secs Computing kpt #: 68 total cpu time spent up to now is 110.4 secs Computing kpt #: 69 total cpu time spent up to now is 111.3 secs Computing kpt #: 70 total cpu time spent up to now is 112.3 secs Computing kpt #: 71 total cpu time spent up to now is 113.4 secs Computing kpt #: 72 total cpu time spent up to now is 114.3 secs Computing kpt #: 73 total cpu time spent up to now is 115.2 secs Computing kpt #: 74 total cpu time spent up to now is 116.1 secs Computing kpt #: 75 total cpu time spent up to now is 117.0 secs Computing kpt #: 76 total cpu time spent up to now is 118.0 secs Computing kpt #: 77 total cpu time spent up to now is 119.0 secs Computing kpt #: 78 total cpu time spent up to now is 119.9 secs Computing kpt #: 79 total cpu time spent up to now is 120.8 secs Computing kpt #: 80 total cpu time spent up to now is 121.8 secs Computing kpt #: 81 total cpu time spent up to now is 123.0 secs Computing kpt #: 82 total cpu time spent up to now is 123.9 secs Computing kpt #: 83 total cpu time spent up to now is 125.1 secs Computing kpt #: 84 total cpu time spent up to now is 126.5 secs Computing kpt #: 85 total cpu time spent up to now is 127.6 secs Computing kpt #: 86 total cpu time spent up to now is 128.6 secs Computing kpt #: 87 total cpu time spent up to now is 129.9 secs Computing kpt #: 88 total cpu time spent up to now is 130.8 secs Computing kpt #: 89 total cpu time spent up to now is 131.7 secs Computing kpt #: 90 total cpu time spent up to now is 132.6 secs Computing kpt #: 91 total cpu time spent up to now is 133.5 secs Computing kpt #: 92 total cpu time spent up to now is 134.4 secs Computing kpt #: 93 total cpu time spent up to now is 135.5 secs Computing kpt #: 94 total cpu time spent up to now is 136.6 secs Computing kpt #: 95 total cpu time spent up to now is 137.9 secs Computing kpt #: 96 total cpu time spent up to now is 139.2 secs Computing kpt #: 97 total cpu time spent up to now is 140.6 secs Computing kpt #: 98 total cpu time spent up to now is 142.6 secs Computing kpt #: 99 total cpu time spent up to now is 143.8 secs Computing kpt #: 100 total cpu time spent up to now is 144.9 secs Computing kpt #: 101 total cpu time spent up to now is 146.8 secs Computing kpt #: 102 total cpu time spent up to now is 148.3 secs Computing kpt #: 103 total cpu time spent up to now is 149.2 secs Computing kpt #: 104 total cpu time spent up to now is 150.0 secs Computing kpt #: 105 total cpu time spent up to now is 150.9 secs Computing kpt #: 106 total cpu time spent up to now is 152.1 secs Computing kpt #: 107 total cpu time spent up to now is 153.6 secs Computing kpt #: 108 total cpu time spent up to now is 154.8 secs Computing kpt #: 109 total cpu time spent up to now is 156.0 secs Computing kpt #: 110 total cpu time spent up to now is 157.3 secs Computing kpt #: 111 total cpu time spent up to now is 158.6 secs Computing kpt #: 112 total cpu time spent up to now is 159.7 secs Computing kpt #: 113 total cpu time spent up to now is 160.9 secs Computing kpt #: 114 total cpu time spent up to now is 162.5 secs Computing kpt #: 115 total cpu time spent up to now is 164.3 secs Computing kpt #: 116 total cpu time spent up to now is 165.4 secs Computing kpt #: 117 total cpu time spent up to now is 166.4 secs Computing kpt #: 118 total cpu time spent up to now is 167.5 secs Computing kpt #: 119 total cpu time spent up to now is 168.8 secs Computing kpt #: 120 total cpu time spent up to now is 169.7 secs Computing kpt #: 121 total cpu time spent up to now is 170.7 secs Computing kpt #: 122 total cpu time spent up to now is 171.9 secs Computing kpt #: 123 total cpu time spent up to now is 173.1 secs Computing kpt #: 124 total cpu time spent up to now is 174.2 secs Computing kpt #: 125 total cpu time spent up to now is 175.4 secs Computing kpt #: 126 total cpu time spent up to now is 176.7 secs Computing kpt #: 127 total cpu time spent up to now is 177.7 secs Computing kpt #: 128 total cpu time spent up to now is 178.7 secs Computing kpt #: 129 total cpu time spent up to now is 179.6 secs Computing kpt #: 130 total cpu time spent up to now is 180.9 secs Computing kpt #: 131 total cpu time spent up to now is 182.4 secs Computing kpt #: 132 total cpu time spent up to now is 183.9 secs Computing kpt #: 133 total cpu time spent up to now is 185.1 secs Computing kpt #: 134 total cpu time spent up to now is 186.4 secs Computing kpt #: 135 total cpu time spent up to now is 187.7 secs Computing kpt #: 136 total cpu time spent up to now is 189.3 secs Computing kpt #: 137 total cpu time spent up to now is 190.4 secs Computing kpt #: 138 total cpu time spent up to now is 191.3 secs Computing kpt #: 139 total cpu time spent up to now is 192.3 secs Computing kpt #: 140 total cpu time spent up to now is 193.7 secs Computing kpt #: 141 total cpu time spent up to now is 194.6 secs Computing kpt #: 142 total cpu time spent up to now is 195.5 secs Computing kpt #: 143 total cpu time spent up to now is 196.4 secs Computing kpt #: 144 total cpu time spent up to now is 197.4 secs Computing kpt #: 145 total cpu time spent up to now is 198.4 secs Computing kpt #: 146 total cpu time spent up to now is 200.0 secs Computing kpt #: 147 total cpu time spent up to now is 201.0 secs Computing kpt #: 148 total cpu time spent up to now is 201.9 secs Computing kpt #: 149 total cpu time spent up to now is 202.8 secs Computing kpt #: 150 total cpu time spent up to now is 203.8 secs Computing kpt #: 151 total cpu time spent up to now is 204.8 secs Computing kpt #: 152 total cpu time spent up to now is 205.8 secs Computing kpt #: 153 total cpu time spent up to now is 206.7 secs Computing kpt #: 154 total cpu time spent up to now is 207.7 secs Computing kpt #: 155 total cpu time spent up to now is 208.9 secs Computing kpt #: 156 total cpu time spent up to now is 210.2 secs Computing kpt #: 157 total cpu time spent up to now is 211.4 secs Computing kpt #: 158 total cpu time spent up to now is 212.5 secs Computing kpt #: 159 total cpu time spent up to now is 213.6 secs Computing kpt #: 160 total cpu time spent up to now is 215.3 secs Computing kpt #: 161 total cpu time spent up to now is 216.6 secs Computing kpt #: 162 total cpu time spent up to now is 218.0 secs Computing kpt #: 163 total cpu time spent up to now is 219.4 secs Computing kpt #: 164 total cpu time spent up to now is 220.8 secs Computing kpt #: 165 total cpu time spent up to now is 221.8 secs Computing kpt #: 166 total cpu time spent up to now is 222.6 secs Computing kpt #: 167 total cpu time spent up to now is 224.8 secs Computing kpt #: 168 total cpu time spent up to now is 226.0 secs Computing kpt #: 169 total cpu time spent up to now is 227.0 secs Computing kpt #: 170 total cpu time spent up to now is 228.4 secs Computing kpt #: 171 total cpu time spent up to now is 229.4 secs Computing kpt #: 172 total cpu time spent up to now is 230.5 secs Computing kpt #: 173 total cpu time spent up to now is 231.5 secs Computing kpt #: 174 total cpu time spent up to now is 233.3 secs Computing kpt #: 175 total cpu time spent up to now is 234.6 secs Computing kpt #: 176 total cpu time spent up to now is 235.9 secs Computing kpt #: 177 total cpu time spent up to now is 237.0 secs Computing kpt #: 178 total cpu time spent up to now is 237.9 secs Computing kpt #: 179 total cpu time spent up to now is 238.8 secs Computing kpt #: 180 total cpu time spent up to now is 239.9 secs Computing kpt #: 181 total cpu time spent up to now is 241.1 secs Computing kpt #: 182 total cpu time spent up to now is 242.2 secs Computing kpt #: 183 total cpu time spent up to now is 243.3 secs Computing kpt #: 184 total cpu time spent up to now is 244.3 secs Computing kpt #: 185 total cpu time spent up to now is 245.6 secs Computing kpt #: 186 total cpu time spent up to now is 246.6 secs Computing kpt #: 187 total cpu time spent up to now is 247.5 secs Computing kpt #: 188 total cpu time spent up to now is 248.5 secs Computing kpt #: 189 total cpu time spent up to now is 249.5 secs Computing kpt #: 190 total cpu time spent up to now is 250.4 secs Computing kpt #: 191 total cpu time spent up to now is 251.3 secs Computing kpt #: 192 total cpu time spent up to now is 252.6 secs Computing kpt #: 193 total cpu time spent up to now is 253.7 secs Computing kpt #: 194 total cpu time spent up to now is 254.8 secs Computing kpt #: 195 total cpu time spent up to now is 255.6 secs Computing kpt #: 196 total cpu time spent up to now is 257.2 secs Computing kpt #: 197 total cpu time spent up to now is 258.3 secs Computing kpt #: 198 total cpu time spent up to now is 259.3 secs Computing kpt #: 199 total cpu time spent up to now is 260.4 secs Computing kpt #: 200 total cpu time spent up to now is 261.3 secs Computing kpt #: 201 total cpu time spent up to now is 262.4 secs Computing kpt #: 202 total cpu time spent up to now is 263.7 secs Computing kpt #: 203 total cpu time spent up to now is 265.2 secs Computing kpt #: 204 total cpu time spent up to now is 267.3 secs Computing kpt #: 205 total cpu time spent up to now is 268.5 secs Computing kpt #: 206 total cpu time spent up to now is 270.0 secs Computing kpt #: 207 total cpu time spent up to now is 271.5 secs Computing kpt #: 208 total cpu time spent up to now is 272.9 secs Computing kpt #: 209 total cpu time spent up to now is 274.1 secs Computing kpt #: 210 total cpu time spent up to now is 275.8 secs Computing kpt #: 211 total cpu time spent up to now is 277.9 secs Computing kpt #: 212 total cpu time spent up to now is 279.2 secs Computing kpt #: 213 total cpu time spent up to now is 280.6 secs Computing kpt #: 214 total cpu time spent up to now is 281.8 secs Computing kpt #: 215 total cpu time spent up to now is 283.1 secs Computing kpt #: 216 total cpu time spent up to now is 284.1 secs Computing kpt #: 217 total cpu time spent up to now is 285.3 secs Computing kpt #: 218 total cpu time spent up to now is 286.2 secs Computing kpt #: 219 total cpu time spent up to now is 287.1 secs Computing kpt #: 220 total cpu time spent up to now is 288.0 secs Computing kpt #: 221 total cpu time spent up to now is 288.9 secs Computing kpt #: 222 total cpu time spent up to now is 289.9 secs Computing kpt #: 223 total cpu time spent up to now is 291.1 secs Computing kpt #: 224 total cpu time spent up to now is 292.0 secs Computing kpt #: 225 total cpu time spent up to now is 292.9 secs Computing kpt #: 226 total cpu time spent up to now is 293.8 secs Computing kpt #: 227 total cpu time spent up to now is 294.8 secs Computing kpt #: 228 total cpu time spent up to now is 295.7 secs Computing kpt #: 229 total cpu time spent up to now is 296.5 secs Computing kpt #: 230 total cpu time spent up to now is 297.7 secs Computing kpt #: 231 total cpu time spent up to now is 298.9 secs Computing kpt #: 232 total cpu time spent up to now is 300.2 secs Computing kpt #: 233 total cpu time spent up to now is 301.4 secs Computing kpt #: 234 total cpu time spent up to now is 302.5 secs Computing kpt #: 235 total cpu time spent up to now is 303.5 secs Computing kpt #: 236 total cpu time spent up to now is 304.7 secs Computing kpt #: 237 total cpu time spent up to now is 305.9 secs Computing kpt #: 238 total cpu time spent up to now is 306.7 secs Computing kpt #: 239 total cpu time spent up to now is 307.8 secs Computing kpt #: 240 total cpu time spent up to now is 308.9 secs Computing kpt #: 241 total cpu time spent up to now is 310.0 secs Computing kpt #: 242 total cpu time spent up to now is 311.4 secs Computing kpt #: 243 total cpu time spent up to now is 312.5 secs Computing kpt #: 244 total cpu time spent up to now is 314.0 secs Computing kpt #: 245 total cpu time spent up to now is 315.5 secs Computing kpt #: 246 total cpu time spent up to now is 316.5 secs Computing kpt #: 247 total cpu time spent up to now is 317.5 secs Computing kpt #: 248 total cpu time spent up to now is 318.4 secs Computing kpt #: 249 total cpu time spent up to now is 319.3 secs Computing kpt #: 250 total cpu time spent up to now is 320.3 secs Computing kpt #: 251 total cpu time spent up to now is 321.5 secs Computing kpt #: 252 total cpu time spent up to now is 322.8 secs Computing kpt #: 253 total cpu time spent up to now is 324.1 secs Computing kpt #: 254 total cpu time spent up to now is 325.1 secs Computing kpt #: 255 total cpu time spent up to now is 326.4 secs Computing kpt #: 256 total cpu time spent up to now is 327.5 secs Computing kpt #: 257 total cpu time spent up to now is 328.5 secs Computing kpt #: 258 total cpu time spent up to now is 329.7 secs Computing kpt #: 259 total cpu time spent up to now is 330.7 secs Computing kpt #: 260 total cpu time spent up to now is 332.0 secs Computing kpt #: 261 total cpu time spent up to now is 333.2 secs Computing kpt #: 262 total cpu time spent up to now is 334.3 secs Computing kpt #: 263 total cpu time spent up to now is 336.5 secs Computing kpt #: 264 total cpu time spent up to now is 337.6 secs Computing kpt #: 265 total cpu time spent up to now is 338.4 secs Computing kpt #: 266 total cpu time spent up to now is 339.3 secs Computing kpt #: 267 total cpu time spent up to now is 340.3 secs Computing kpt #: 268 total cpu time spent up to now is 341.1 secs Computing kpt #: 269 total cpu time spent up to now is 342.5 secs Computing kpt #: 270 total cpu time spent up to now is 343.8 secs Computing kpt #: 271 total cpu time spent up to now is 344.9 secs Computing kpt #: 272 total cpu time spent up to now is 345.8 secs Computing kpt #: 273 total cpu time spent up to now is 346.8 secs Computing kpt #: 274 total cpu time spent up to now is 348.0 secs Computing kpt #: 275 total cpu time spent up to now is 349.3 secs Computing kpt #: 276 total cpu time spent up to now is 350.4 secs Computing kpt #: 277 total cpu time spent up to now is 351.6 secs Computing kpt #: 278 total cpu time spent up to now is 352.8 secs Computing kpt #: 279 total cpu time spent up to now is 354.8 secs Computing kpt #: 280 total cpu time spent up to now is 357.0 secs Computing kpt #: 281 total cpu time spent up to now is 357.9 secs Computing kpt #: 282 total cpu time spent up to now is 358.8 secs Computing kpt #: 283 total cpu time spent up to now is 359.7 secs Computing kpt #: 284 total cpu time spent up to now is 360.6 secs Computing kpt #: 285 total cpu time spent up to now is 361.5 secs Computing kpt #: 286 total cpu time spent up to now is 362.4 secs Computing kpt #: 287 total cpu time spent up to now is 363.3 secs Computing kpt #: 288 total cpu time spent up to now is 364.2 secs Computing kpt #: 289 total cpu time spent up to now is 365.1 secs Computing kpt #: 290 total cpu time spent up to now is 366.3 secs Computing kpt #: 291 total cpu time spent up to now is 367.2 secs Computing kpt #: 292 total cpu time spent up to now is 368.3 secs Computing kpt #: 293 total cpu time spent up to now is 369.2 secs Computing kpt #: 294 total cpu time spent up to now is 370.1 secs Computing kpt #: 295 total cpu time spent up to now is 371.0 secs Computing kpt #: 296 total cpu time spent up to now is 372.4 secs Computing kpt #: 297 total cpu time spent up to now is 373.5 secs Computing kpt #: 298 total cpu time spent up to now is 374.4 secs Computing kpt #: 299 total cpu time spent up to now is 375.6 secs Computing kpt #: 300 total cpu time spent up to now is 376.5 secs Computing kpt #: 301 total cpu time spent up to now is 377.4 secs Computing kpt #: 302 total cpu time spent up to now is 378.3 secs Computing kpt #: 303 total cpu time spent up to now is 379.2 secs Computing kpt #: 304 total cpu time spent up to now is 380.1 secs Computing kpt #: 305 total cpu time spent up to now is 381.0 secs Computing kpt #: 306 total cpu time spent up to now is 382.2 secs Computing kpt #: 307 total cpu time spent up to now is 383.4 secs Computing kpt #: 308 total cpu time spent up to now is 384.3 secs Computing kpt #: 309 total cpu time spent up to now is 385.2 secs Computing kpt #: 310 total cpu time spent up to now is 386.0 secs Computing kpt #: 311 total cpu time spent up to now is 386.9 secs Computing kpt #: 312 total cpu time spent up to now is 387.8 secs Computing kpt #: 313 total cpu time spent up to now is 388.8 secs Computing kpt #: 314 total cpu time spent up to now is 390.3 secs Computing kpt #: 315 total cpu time spent up to now is 391.7 secs Computing kpt #: 316 total cpu time spent up to now is 392.8 secs Computing kpt #: 317 total cpu time spent up to now is 394.2 secs Computing kpt #: 318 total cpu time spent up to now is 395.6 secs Computing kpt #: 319 total cpu time spent up to now is 397.4 secs Computing kpt #: 320 total cpu time spent up to now is 399.0 secs Computing kpt #: 321 total cpu time spent up to now is 400.7 secs Computing kpt #: 322 total cpu time spent up to now is 402.4 secs Computing kpt #: 323 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 404.6 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 407.0 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.2 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.2 secs Computing kpt #: 327 total cpu time spent up to now is 412.7 secs Computing kpt #: 328 total cpu time spent up to now is 413.7 secs Computing kpt #: 329 total cpu time spent up to now is 414.9 secs Computing kpt #: 330 total cpu time spent up to now is 416.4 secs Computing kpt #: 331 total cpu time spent up to now is 417.4 secs Computing kpt #: 332 total cpu time spent up to now is 418.3 secs Computing kpt #: 333 total cpu time spent up to now is 419.3 secs Computing kpt #: 334 total cpu time spent up to now is 420.2 secs Computing kpt #: 335 total cpu time spent up to now is 421.2 secs Computing kpt #: 336 total cpu time spent up to now is 422.2 secs Computing kpt #: 337 total cpu time spent up to now is 423.1 secs Computing kpt #: 338 total cpu time spent up to now is 424.3 secs Computing kpt #: 339 total cpu time spent up to now is 425.1 secs Computing kpt #: 340 total cpu time spent up to now is 426.3 secs Computing kpt #: 341 total cpu time spent up to now is 427.2 secs Computing kpt #: 342 total cpu time spent up to now is 428.1 secs Computing kpt #: 343 total cpu time spent up to now is 429.0 secs Computing kpt #: 344 total cpu time spent up to now is 430.0 secs Computing kpt #: 345 total cpu time spent up to now is 430.9 secs Computing kpt #: 346 total cpu time spent up to now is 431.8 secs Computing kpt #: 347 total cpu time spent up to now is 432.5 secs Computing kpt #: 348 total cpu time spent up to now is 433.3 secs Computing kpt #: 349 total cpu time spent up to now is 434.1 secs Computing kpt #: 350 total cpu time spent up to now is 435.1 secs Computing kpt #: 351 total cpu time spent up to now is 436.0 secs Computing kpt #: 352 total cpu time spent up to now is 437.0 secs Computing kpt #: 353 total cpu time spent up to now is 438.1 secs Computing kpt #: 354 total cpu time spent up to now is 439.0 secs Computing kpt #: 355 total cpu time spent up to now is 439.8 secs Computing kpt #: 356 total cpu time spent up to now is 441.0 secs Computing kpt #: 357 total cpu time spent up to now is 441.9 secs Computing kpt #: 358 total cpu time spent up to now is 442.8 secs Computing kpt #: 359 total cpu time spent up to now is 443.6 secs Computing kpt #: 360 total cpu time spent up to now is 445.0 secs Computing kpt #: 361 total cpu time spent up to now is 446.0 secs Computing kpt #: 362 total cpu time spent up to now is 447.0 secs Computing kpt #: 363 total cpu time spent up to now is 448.0 secs Computing kpt #: 364 total cpu time spent up to now is 448.8 secs Computing kpt #: 365 total cpu time spent up to now is 450.3 secs Computing kpt #: 366 total cpu time spent up to now is 451.2 secs Computing kpt #: 367 total cpu time spent up to now is 451.9 secs Computing kpt #: 368 total cpu time spent up to now is 452.7 secs Computing kpt #: 369 total cpu time spent up to now is 453.4 secs Computing kpt #: 370 total cpu time spent up to now is 454.1 secs Computing kpt #: 371 total cpu time spent up to now is 454.9 secs Computing kpt #: 372 total cpu time spent up to now is 455.8 secs Computing kpt #: 373 total cpu time spent up to now is 456.9 secs Computing kpt #: 374 total cpu time spent up to now is 457.7 secs Computing kpt #: 375 total cpu time spent up to now is 458.5 secs Computing kpt #: 376 total cpu time spent up to now is 459.3 secs Computing kpt #: 377 total cpu time spent up to now is 460.1 secs Computing kpt #: 378 total cpu time spent up to now is 461.1 secs Computing kpt #: 379 total cpu time spent up to now is 462.6 secs Computing kpt #: 380 total cpu time spent up to now is 463.4 secs Computing kpt #: 381 total cpu time spent up to now is 464.3 secs Computing kpt #: 382 total cpu time spent up to now is 465.1 secs Computing kpt #: 383 total cpu time spent up to now is 466.0 secs Computing kpt #: 384 total cpu time spent up to now is 467.2 secs Computing kpt #: 385 total cpu time spent up to now is 468.4 secs Computing kpt #: 386 total cpu time spent up to now is 469.7 secs Computing kpt #: 387 total cpu time spent up to now is 470.7 secs Computing kpt #: 388 total cpu time spent up to now is 471.7 secs Computing kpt #: 389 total cpu time spent up to now is 472.7 secs Computing kpt #: 390 total cpu time spent up to now is 473.7 secs Computing kpt #: 391 total cpu time spent up to now is 474.6 secs Computing kpt #: 392 total cpu time spent up to now is 475.4 secs Computing kpt #: 393 total cpu time spent up to now is 476.3 secs Computing kpt #: 394 total cpu time spent up to now is 477.1 secs Computing kpt #: 395 total cpu time spent up to now is 478.0 secs Computing kpt #: 396 total cpu time spent up to now is 479.2 secs Computing kpt #: 397 total cpu time spent up to now is 480.2 secs Computing kpt #: 398 total cpu time spent up to now is 481.1 secs Computing kpt #: 399 total cpu time spent up to now is 482.0 secs Computing kpt #: 400 total cpu time spent up to now is 482.9 secs Computing kpt #: 401 total cpu time spent up to now is 483.7 secs Computing kpt #: 402 total cpu time spent up to now is 484.5 secs Computing kpt #: 403 total cpu time spent up to now is 485.7 secs Computing kpt #: 404 total cpu time spent up to now is 486.6 secs Computing kpt #: 405 total cpu time spent up to now is 487.7 secs Computing kpt #: 406 total cpu time spent up to now is 488.8 secs Computing kpt #: 407 total cpu time spent up to now is 489.6 secs Computing kpt #: 408 total cpu time spent up to now is 490.4 secs Computing kpt #: 409 total cpu time spent up to now is 491.1 secs Computing kpt #: 410 total cpu time spent up to now is 491.9 secs Computing kpt #: 411 total cpu time spent up to now is 492.7 secs Computing kpt #: 412 total cpu time spent up to now is 493.7 secs Computing kpt #: 413 total cpu time spent up to now is 494.4 secs Computing kpt #: 414 total cpu time spent up to now is 495.2 secs Computing kpt #: 415 total cpu time spent up to now is 496.2 secs Computing kpt #: 416 total cpu time spent up to now is 497.1 secs Computing kpt #: 417 total cpu time spent up to now is 498.1 secs Computing kpt #: 418 total cpu time spent up to now is 499.0 secs Computing kpt #: 419 total cpu time spent up to now is 500.0 secs Computing kpt #: 420 total cpu time spent up to now is 501.0 secs ethr = 3.33E-11, avg # of iterations = 33.0 total cpu time spent up to now is 501.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2871 PWs) bands (ev): -31.4704 -31.4704 -31.4096 -31.4096 -12.5621 -12.5621 -12.3596 -12.3596 -11.2207 -11.2207 -11.0587 -11.0587 -10.9568 -10.9568 -10.8545 -10.8545 0.3166 0.3166 4.6977 4.6977 7.8753 7.8753 8.3905 8.3905 9.1870 9.1870 9.4917 9.4917 10.9534 10.9534 11.5447 11.5447 12.5968 12.5968 13.3195 13.3195 13.4554 13.4554 k = 0.0068 0.0168-0.0000 ( 2873 PWs) bands (ev): -31.4704 -31.4704 -31.4096 -31.4096 -12.5621 -12.5621 -12.3597 -12.3597 -11.2207 -11.2207 -11.0587 -11.0587 -10.9570 -10.9570 -10.8545 -10.8545 0.3178 0.3178 4.6991 4.6991 7.8610 7.8610 8.4025 8.4025 9.1861 9.1861 9.4919 9.4919 10.9573 10.9573 11.5389 11.5389 12.5878 12.5878 13.2887 13.2887 13.4690 13.4690 k = 0.0135 0.0335-0.0000 ( 2877 PWs) bands (ev): -31.4703 -31.4703 -31.4096 -31.4096 -12.5620 -12.5620 -12.3601 -12.3601 -11.2206 -11.2206 -11.0589 -11.0589 -10.9574 -10.9574 -10.8546 -10.8546 0.3214 0.3214 4.7032 4.7032 7.8215 7.8215 8.4348 8.4348 9.1833 9.1833 9.4924 9.4924 10.9691 10.9691 11.5216 11.5216 12.5626 12.5626 13.2158 13.2158 13.5080 13.5080 k = 0.0203 0.0503-0.0000 ( 2877 PWs) bands (ev): -31.4702 -31.4702 -31.4097 -31.4097 -12.5619 -12.5619 -12.3606 -12.3606 -11.2204 -11.2204 -11.0591 -11.0591 -10.9580 -10.9580 -10.8547 -10.8547 0.3273 0.3273 4.7101 4.7101 7.7643 7.7643 8.4801 8.4801 9.1787 9.1787 9.4932 9.4932 10.9887 10.9887 11.4939 11.4939 12.5251 12.5251 13.1256 13.1256 13.5681 13.5681 k = 0.0270 0.0671-0.0000 ( 2881 PWs) bands (ev): -31.4700 -31.4700 -31.4098 -31.4098 -12.5618 -12.5618 -12.3615 -12.3615 -11.2202 -11.2202 -11.0595 -11.0595 -10.9589 -10.9589 -10.8548 -10.8548 0.3356 0.3356 4.7197 4.7197 7.6956 7.6956 8.5321 8.5321 9.1723 9.1723 9.4939 9.4939 11.0160 11.0160 11.4572 11.4572 12.4798 12.4798 13.0294 13.0294 13.6449 13.6449 k = 0.0338 0.0839-0.0000 ( 2883 PWs) bands (ev): -31.4698 -31.4698 -31.4099 -31.4099 -12.5616 -12.5616 -12.3625 -12.3625 -11.2199 -11.2199 -11.0599 -11.0599 -10.9601 -10.9601 -10.8550 -10.8550 0.3462 0.3462 4.7320 4.7320 7.6199 7.6199 8.5866 8.5866 9.1641 9.1641 9.4941 9.4941 11.0509 11.0509 11.4132 11.4132 12.4305 12.4305 12.9315 12.9315 13.7336 13.7336 k = 0.0405 0.1006-0.0000 ( 2891 PWs) bands (ev): -31.4696 -31.4696 -31.4100 -31.4100 -12.5613 -12.5613 -12.3638 -12.3638 -11.2195 -11.2195 -11.0604 -11.0604 -10.9614 -10.9614 -10.8552 -10.8552 0.3590 0.3590 4.7469 4.7469 7.5398 7.5398 8.6410 8.6410 9.1540 9.1540 9.4933 9.4933 11.0933 11.0933 11.3640 11.3640 12.3800 12.3800 12.8341 12.8341 13.7634 13.7634 k = 0.0473 0.1174-0.0000 ( 2883 PWs) bands (ev): -31.4693 -31.4693 -31.4102 -31.4102 -12.5610 -12.5610 -12.3653 -12.3653 -11.2191 -11.2191 -11.0610 -11.0610 -10.9630 -10.9630 -10.8554 -10.8554 0.3740 0.3740 4.7645 4.7645 7.4570 7.4570 8.6937 8.6937 9.1422 9.1422 9.4909 9.4909 11.1428 11.1428 11.3118 11.3118 12.3302 12.3302 12.7380 12.7380 13.7252 13.7252 k = 0.0541 0.1342-0.0000 ( 2883 PWs) bands (ev): -31.4690 -31.4690 -31.4104 -31.4104 -12.5606 -12.5606 -12.3670 -12.3670 -11.2186 -11.2186 -11.0617 -11.0617 -10.9648 -10.9648 -10.8557 -10.8557 0.3911 0.3911 4.7846 4.7846 7.3727 7.3727 8.7438 8.7438 9.1287 9.1287 9.4861 9.4861 11.1983 11.1983 11.2597 11.2597 12.2825 12.2825 12.6440 12.6440 13.6807 13.6807 k = 0.0608 0.1510-0.0000 ( 2885 PWs) bands (ev): -31.4687 -31.4687 -31.4106 -31.4106 -12.5602 -12.5602 -12.3689 -12.3689 -11.2181 -11.2181 -11.0625 -11.0625 -10.9667 -10.9667 -10.8560 -10.8560 0.4102 0.4102 4.8072 4.8072 7.2877 7.2877 8.7907 8.7907 9.1135 9.1135 9.4779 9.4779 11.2034 11.2034 11.2657 11.2657 12.2378 12.2378 12.5523 12.5523 13.6310 13.6310 k = 0.0676 0.1677-0.0000 ( 2885 PWs) bands (ev): -31.4683 -31.4683 -31.4108 -31.4108 -12.5598 -12.5598 -12.3710 -12.3710 -11.2175 -11.2175 -11.0634 -11.0634 -10.9688 -10.9688 -10.8564 -10.8564 0.4313 0.4313 4.8321 4.8321 7.2028 7.2028 8.8340 8.8340 9.0966 9.0966 9.4655 9.4655 11.1555 11.1555 11.3342 11.3342 12.1968 12.1968 12.4632 12.4632 13.5767 13.5767 k = 0.0743 0.1845-0.0000 ( 2889 PWs) bands (ev): -31.4679 -31.4679 -31.4110 -31.4110 -12.5593 -12.5593 -12.3733 -12.3733 -11.2169 -11.2169 -11.0644 -11.0644 -10.9710 -10.9710 -10.8568 -10.8568 0.4541 0.4541 4.8594 4.8594 7.1183 7.1183 8.8734 8.8734 9.0783 9.0783 9.4479 9.4479 11.1116 11.1116 11.4097 11.4097 12.1599 12.1599 12.3769 12.3769 13.5182 13.5182 k = 0.0811 0.2013-0.0000 ( 2885 PWs) bands (ev): -31.4674 -31.4674 -31.4113 -31.4113 -12.5587 -12.5587 -12.3757 -12.3757 -11.2162 -11.2162 -11.0655 -11.0655 -10.9733 -10.9733 -10.8573 -10.8573 0.4787 0.4787 4.8889 4.8889 7.0348 7.0348 8.9089 8.9089 9.0586 9.0586 9.4242 9.4242 11.0744 11.0744 11.4907 11.4907 12.1274 12.1274 12.2936 12.2936 13.4560 13.4560 k = 0.0878 0.2181-0.0000 ( 2883 PWs) bands (ev): -31.4669 -31.4669 -31.4116 -31.4116 -12.5581 -12.5581 -12.3784 -12.3784 -11.2154 -11.2154 -11.0667 -11.0667 -10.9756 -10.9756 -10.8579 -10.8579 0.5048 0.5048 4.9204 4.9204 6.9527 6.9527 8.9402 8.9402 9.0381 9.0381 9.3937 9.3937 11.0452 11.0452 11.5767 11.5767 12.0995 12.0995 12.2134 12.2134 13.3906 13.3906 k = 0.0946 0.2348-0.0000 ( 2877 PWs) bands (ev): -31.4664 -31.4664 -31.4119 -31.4119 -12.5574 -12.5574 -12.3812 -12.3812 -11.2146 -11.2146 -11.0680 -11.0680 -10.9779 -10.9779 -10.8585 -10.8585 0.5323 0.5323 4.9539 4.9539 6.8723 6.8723 8.9661 8.9661 9.0180 9.0180 9.3561 9.3561 11.0252 11.0252 11.6672 11.6672 12.0760 12.0760 12.1368 12.1368 13.3225 13.3225 k = 0.1014 0.2516-0.0000 ( 2873 PWs) bands (ev): -31.4658 -31.4658 -31.4123 -31.4123 -12.5567 -12.5567 -12.3841 -12.3841 -11.2137 -11.2137 -11.0694 -11.0694 -10.9803 -10.9803 -10.8591 -10.8591 0.5611 0.5611 4.9892 4.9892 6.7939 6.7939 8.9766 8.9766 9.0085 9.0085 9.3113 9.3113 11.0148 11.0148 11.7613 11.7613 12.0518 12.0518 12.0692 12.0692 13.2522 13.2522 k = 0.1081 0.2684-0.0000 ( 2869 PWs) bands (ev): -31.4652 -31.4652 -31.4127 -31.4127 -12.5559 -12.5559 -12.3872 -12.3872 -11.2128 -11.2128 -11.0709 -11.0709 -10.9826 -10.9826 -10.8599 -10.8599 0.5911 0.5911 5.0261 5.0261 6.7178 6.7178 8.9599 8.9599 9.0218 9.0218 9.2597 9.2597 11.0142 11.0142 11.8574 11.8574 11.9915 11.9915 12.0473 12.0473 13.1801 13.1801 k = 0.1149 0.2852-0.0000 ( 2867 PWs) bands (ev): -31.4646 -31.4646 -31.4130 -31.4130 -12.5551 -12.5551 -12.3903 -12.3903 -11.2118 -11.2118 -11.0725 -11.0725 -10.9848 -10.9848 -10.8607 -10.8607 0.6219 0.6219 5.0644 5.0644 6.6442 6.6442 8.9360 8.9360 9.0379 9.0379 9.2021 9.2021 11.0232 11.0232 11.9112 11.9112 11.9715 11.9715 12.0382 12.0382 13.1066 13.1066 k = 0.1216 0.3019-0.0000 ( 2867 PWs) bands (ev): -31.4639 -31.4639 -31.4135 -31.4135 -12.5541 -12.5541 -12.3936 -12.3936 -11.2108 -11.2108 -11.0743 -11.0743 -10.9868 -10.9868 -10.8616 -10.8616 0.6535 0.6535 5.1039 5.1039 6.5736 6.5736 8.9104 8.9104 9.0506 9.0506 9.1405 9.1405 11.0410 11.0410 11.8541 11.8541 12.0337 12.0337 12.0683 12.0683 13.0321 13.0321 k = 0.1284 0.3187-0.0000 ( 2863 PWs) bands (ev): -31.4633 -31.4633 -31.4139 -31.4139 -12.5532 -12.5532 -12.3970 -12.3970 -11.2096 -11.2096 -11.0762 -11.0762 -10.9888 -10.9888 -10.8625 -10.8625 0.6856 0.6856 5.1444 5.1444 6.5060 6.5060 8.8839 8.8839 9.0482 9.0482 9.0872 9.0872 11.0671 11.0671 11.7940 11.7940 12.0346 12.0346 12.1724 12.1724 12.9568 12.9568 k = 0.1351 0.3355-0.0000 ( 2867 PWs) bands (ev): -31.4626 -31.4626 -31.4144 -31.4144 -12.5521 -12.5521 -12.4004 -12.4004 -11.2085 -11.2085 -11.0782 -11.0782 -10.9905 -10.9905 -10.8636 -10.8636 0.7180 0.7180 5.1856 5.1856 6.4417 6.4417 8.8569 8.8569 8.9922 8.9922 9.0816 9.0816 11.1004 11.1004 11.7367 11.7367 12.0399 12.0399 12.2785 12.2785 12.8812 12.8812 k = 0.1419 0.3523-0.0000 ( 2863 PWs) bands (ev): -31.4618 -31.4618 -31.4149 -31.4149 -12.5510 -12.5510 -12.4039 -12.4039 -11.2073 -11.2073 -11.0804 -11.0804 -10.9921 -10.9921 -10.8647 -10.8647 0.7506 0.7506 5.2271 5.2271 6.3811 6.3811 8.8295 8.8295 8.9212 8.9212 9.0868 9.0868 11.1400 11.1400 11.6826 11.6826 12.0494 12.0494 12.3855 12.3855 12.8055 12.8055 k = 0.1487 0.3690-0.0000 ( 2855 PWs) bands (ev): -31.4611 -31.4611 -31.4154 -31.4154 -12.5498 -12.5498 -12.4075 -12.4075 -11.2060 -11.2060 -11.0827 -11.0827 -10.9934 -10.9934 -10.8659 -10.8659 0.7832 0.7832 5.2685 5.2685 6.3242 6.3242 8.8010 8.8010 8.8488 8.8488 9.0909 9.0909 11.1849 11.1849 11.6319 11.6319 12.0631 12.0631 12.4922 12.4922 12.7303 12.7303 k = 0.1554 0.3858-0.0000 ( 2851 PWs) bands (ev): -31.4604 -31.4604 -31.4159 -31.4159 -12.5485 -12.5485 -12.4110 -12.4110 -11.2046 -11.2046 -11.0851 -11.0851 -10.9945 -10.9945 -10.8672 -10.8672 0.8154 0.8154 5.3096 5.3096 6.2714 6.2714 8.7619 8.7619 8.7870 8.7870 9.0933 9.0933 11.2343 11.2343 11.5847 11.5847 12.0808 12.0808 12.5940 12.5940 12.6598 12.6598 k = 0.1622 0.4026-0.0000 ( 2851 PWs) bands (ev): -31.4596 -31.4596 -31.4165 -31.4165 -12.5471 -12.5471 -12.4146 -12.4146 -11.2032 -11.2032 -11.0875 -11.0875 -10.9954 -10.9954 -10.8686 -10.8686 0.8471 0.8471 5.3498 5.3498 6.2228 6.2228 8.6951 8.6951 8.7542 8.7542 9.0937 9.0937 11.2872 11.2872 11.5410 11.5410 12.1022 12.1022 12.5745 12.5745 12.7097 12.7097 k = 0.1689 0.4194-0.0000 ( 2851 PWs) bands (ev): -31.4588 -31.4588 -31.4170 -31.4170 -12.5457 -12.5457 -12.4182 -12.4182 -11.2017 -11.2017 -11.0901 -11.0901 -10.9960 -10.9960 -10.8700 -10.8700 0.8780 0.8780 5.3886 5.3886 6.1787 6.1787 8.6249 8.6249 8.7276 8.7276 9.0922 9.0922 11.3426 11.3426 11.5009 11.5009 12.1272 12.1272 12.5016 12.5016 12.8116 12.8116 k = 0.1757 0.4361-0.0000 ( 2855 PWs) bands (ev): -31.4580 -31.4580 -31.4176 -31.4176 -12.5442 -12.5442 -12.4218 -12.4218 -11.2001 -11.2001 -11.0927 -11.0927 -10.9965 -10.9965 -10.8716 -10.8716 0.9080 0.9080 5.4255 5.4255 6.1393 6.1393 8.5570 8.5570 8.7024 8.7024 9.0889 9.0889 11.3991 11.3991 11.4652 11.4652 12.1552 12.1552 12.4284 12.4284 12.9116 12.9116 k = 0.1824 0.4529-0.0000 ( 2851 PWs) bands (ev): -31.4572 -31.4572 -31.4183 -31.4183 -12.5426 -12.5426 -12.4254 -12.4254 -11.1985 -11.1985 -11.0953 -11.0953 -10.9967 -10.9967 -10.8732 -10.8732 0.9368 0.9368 5.4599 5.4599 6.1048 6.1048 8.4930 8.4930 8.6784 8.6784 9.0840 9.0840 11.4265 11.4265 11.4632 11.4632 12.1854 12.1854 12.3567 12.3567 13.0054 13.0054 k = 0.1892 0.4697-0.0000 ( 2853 PWs) bands (ev): -31.4564 -31.4564 -31.4189 -31.4189 -12.5410 -12.5410 -12.4289 -12.4289 -11.1968 -11.1968 -11.0979 -11.0979 -10.9967 -10.9967 -10.8749 -10.8749 0.9642 0.9642 5.4910 5.4910 6.0753 6.0753 8.4340 8.4340 8.6555 8.6555 9.0775 9.0775 11.3994 11.3994 11.5197 11.5197 12.2130 12.2130 12.2914 12.2914 13.0303 13.0303 k = 0.1960 0.4865-0.0000 ( 2855 PWs) bands (ev): -31.4556 -31.4556 -31.4196 -31.4196 -12.5392 -12.5392 -12.4323 -12.4323 -11.1950 -11.1950 -11.1005 -11.1005 -10.9965 -10.9965 -10.8766 -10.8766 0.9899 0.9899 5.5183 5.5183 6.0510 6.0510 8.3810 8.3810 8.6339 8.6339 9.0696 9.0696 11.3737 11.3737 11.5779 11.5779 12.1943 12.1943 12.2760 12.2760 13.0064 13.0064 k = 0.2027 0.5032-0.0000 ( 2853 PWs) bands (ev): -31.4548 -31.4548 -31.4202 -31.4202 -12.5374 -12.5374 -12.4357 -12.4357 -11.1932 -11.1932 -11.1031 -11.1031 -10.9961 -10.9961 -10.8785 -10.8785 1.0139 1.0139 5.5409 5.5409 6.0321 6.0321 8.3350 8.3350 8.6137 8.6137 9.0603 9.0603 11.3513 11.3513 11.6353 11.6353 12.1301 12.1301 12.3097 12.3097 12.9801 12.9801 k = 0.2095 0.5200-0.0000 ( 2849 PWs) bands (ev): -31.4540 -31.4540 -31.4209 -31.4209 -12.5355 -12.5355 -12.4390 -12.4390 -11.1913 -11.1913 -11.1055 -11.1055 -10.9956 -10.9956 -10.8804 -10.8804 1.0359 1.0359 5.5584 5.5584 6.0187 6.0187 8.2967 8.2967 8.5948 8.5948 9.0499 9.0499 11.3324 11.3324 11.6913 11.6913 12.0615 12.0615 12.3512 12.3512 12.9516 12.9516 k = 0.2162 0.5368-0.0000 ( 2855 PWs) bands (ev): -31.4532 -31.4532 -31.4216 -31.4216 -12.5335 -12.5335 -12.4422 -12.4422 -11.1894 -11.1894 -11.1078 -11.1078 -10.9949 -10.9949 -10.8824 -10.8824 1.0558 1.0558 5.5699 5.5699 6.0108 6.0108 8.2670 8.2670 8.5776 8.5776 9.0384 9.0384 11.3172 11.3172 11.7450 11.7450 11.9930 11.9930 12.3961 12.3961 12.9197 12.9197 k = 0.2230 0.5536-0.0000 ( 2853 PWs) bands (ev): -31.4524 -31.4524 -31.4224 -31.4224 -12.5314 -12.5314 -12.4453 -12.4453 -11.1874 -11.1874 -11.1100 -11.1100 -10.9941 -10.9941 -10.8844 -10.8844 1.0734 1.0734 5.5751 5.5751 6.0086 6.0086 8.2467 8.2467 8.5619 8.5619 9.0260 9.0260 11.3055 11.3055 11.7956 11.7956 11.9259 11.9259 12.4434 12.4434 12.8830 12.8830 k = 0.2298 0.5703-0.0000 ( 2857 PWs) bands (ev): -31.4516 -31.4516 -31.4231 -31.4231 -12.5293 -12.5293 -12.4483 -12.4483 -11.1853 -11.1853 -11.1120 -11.1120 -10.9932 -10.9932 -10.8865 -10.8865 1.0887 1.0887 5.5736 5.5736 6.0121 6.0121 8.2361 8.2361 8.5479 8.5479 9.0128 9.0128 11.2974 11.2974 11.8320 11.8320 11.8713 11.8713 12.4927 12.4927 12.8407 12.8407 k = 0.2365 0.5871-0.0000 ( 2859 PWs) bands (ev): -31.4508 -31.4508 -31.4239 -31.4239 -12.5271 -12.5271 -12.4511 -12.4511 -11.1833 -11.1833 -11.1138 -11.1138 -10.9923 -10.9923 -10.8887 -10.8887 1.1015 1.1015 5.5651 5.5651 6.0214 6.0214 8.2355 8.2355 8.5357 8.5357 8.9988 8.9988 11.2929 11.2929 11.7849 11.7849 11.8983 11.8983 12.5436 12.5436 12.7919 12.7919 k = 0.2433 0.6039-0.0000 ( 2853 PWs) bands (ev): -31.4500 -31.4500 -31.4246 -31.4246 -12.5248 -12.5248 -12.4538 -12.4538 -11.1812 -11.1812 -11.1154 -11.1154 -10.9912 -10.9912 -10.8909 -10.8909 1.1119 1.1119 5.5497 5.5497 6.0363 6.0363 8.2452 8.2452 8.5252 8.5252 8.9843 8.9843 11.2920 11.2920 11.7205 11.7205 11.9409 11.9409 12.5960 12.5960 12.7367 12.7367 k = 0.2500 0.6207-0.0000 ( 2857 PWs) bands (ev): -31.4492 -31.4492 -31.4254 -31.4254 -12.5225 -12.5225 -12.4564 -12.4564 -11.1791 -11.1791 -11.1168 -11.1168 -10.9901 -10.9901 -10.8931 -10.8931 1.1197 1.1197 5.5275 5.5275 6.0569 6.0569 8.2650 8.2650 8.5166 8.5166 8.9693 8.9693 11.2947 11.2947 11.6558 11.6558 11.9820 11.9820 12.6493 12.6493 12.6755 12.6755 k = 0.2568 0.6374-0.0000 ( 2857 PWs) bands (ev): -31.4484 -31.4484 -31.4262 -31.4262 -12.5201 -12.5201 -12.4588 -12.4588 -11.1770 -11.1770 -11.1178 -11.1178 -10.9889 -10.9889 -10.8954 -10.8954 1.1250 1.1250 5.4988 5.4988 6.0831 6.0831 8.2946 8.2946 8.5099 8.5099 8.9540 8.9540 11.3010 11.3010 11.5917 11.5917 12.0209 12.0209 12.6091 12.6091 12.7033 12.7033 k = 0.2635 0.6542-0.0000 ( 2856 PWs) bands (ev): -31.4477 -31.4477 -31.4270 -31.4270 -12.5177 -12.5177 -12.4611 -12.4611 -11.1750 -11.1750 -11.1186 -11.1186 -10.9878 -10.9878 -10.8977 -10.8977 1.1279 1.1279 5.4642 5.4642 6.1147 6.1147 8.3335 8.3335 8.5051 8.5051 8.9383 8.9383 11.3108 11.3108 11.5283 11.5283 12.0573 12.0573 12.5391 12.5391 12.7577 12.7577 k = 0.2703 0.6710-0.0000 ( 2848 PWs) bands (ev): -31.4469 -31.4469 -31.4278 -31.4278 -12.5152 -12.5152 -12.4632 -12.4632 -11.1729 -11.1729 -11.1191 -11.1191 -10.9866 -10.9866 -10.9000 -10.9000 1.1283 1.1283 5.4242 5.4242 6.1517 6.1517 8.3813 8.3813 8.5022 8.5022 8.9226 8.9226 11.3242 11.3242 11.4658 11.4658 12.0905 12.0905 12.4672 12.4672 12.8119 12.8119 k = 0.2771 0.6878-0.0000 ( 2856 PWs) bands (ev): -31.4462 -31.4462 -31.4286 -31.4286 -12.5127 -12.5127 -12.4652 -12.4652 -11.1710 -11.1710 -11.1192 -11.1192 -10.9854 -10.9854 -10.9023 -10.9023 1.1264 1.1264 5.3795 5.3795 6.1940 6.1940 8.4373 8.4373 8.5012 8.5012 8.9067 8.9067 11.3409 11.3409 11.4042 11.4042 12.1186 12.1186 12.3968 12.3968 12.8655 12.8655 k = 0.2838 0.7045-0.0000 ( 2854 PWs) bands (ev): -31.4455 -31.4455 -31.4294 -31.4294 -12.5102 -12.5102 -12.4669 -12.4669 -11.1691 -11.1691 -11.1190 -11.1190 -10.9842 -10.9842 -10.9047 -10.9047 1.1223 1.1223 5.3307 5.3307 6.2413 6.2413 8.4980 8.4980 8.5049 8.5049 8.8909 8.8909 11.3405 11.3405 11.3638 11.3638 12.1356 12.1356 12.3351 12.3351 12.9180 12.9180 k = 0.2906 0.7213-0.0000 ( 2858 PWs) bands (ev): -31.4448 -31.4448 -31.4302 -31.4302 -12.5076 -12.5076 -12.4685 -12.4685 -11.1672 -11.1672 -11.1185 -11.1185 -10.9830 -10.9830 -10.9070 -10.9070 1.1161 1.1161 5.2784 5.2784 6.2934 6.2934 8.5044 8.5044 8.5716 8.5716 8.8751 8.8751 11.2814 11.2814 11.3865 11.3865 12.1261 12.1261 12.2988 12.2988 12.9685 12.9685 k = 0.2906 0.7213-0.0000 ( 2858 PWs) bands (ev): -31.4448 -31.4448 -31.4302 -31.4302 -12.5076 -12.5076 -12.4685 -12.4685 -11.1672 -11.1672 -11.1185 -11.1185 -10.9830 -10.9830 -10.9070 -10.9070 1.1161 1.1161 5.2784 5.2784 6.2934 6.2934 8.5044 8.5044 8.5716 8.5716 8.8751 8.8751 11.2814 11.2814 11.3865 11.3865 12.1261 12.1261 12.2988 12.2988 12.9685 12.9685 k = 0.2724 0.7213-0.0000 ( 2858 PWs) bands (ev): -31.4451 -31.4451 -31.4299 -31.4299 -12.5087 -12.5087 -12.4678 -12.4678 -11.1680 -11.1680 -11.1187 -11.1187 -10.9835 -10.9835 -10.9060 -10.9060 1.1185 1.1185 5.2971 5.2971 6.2764 6.2764 8.5032 8.5032 8.5372 8.5372 8.8856 8.8856 11.3033 11.3033 11.3757 11.3757 12.1331 12.1331 12.3146 12.3146 12.9529 12.9529 k = 0.2542 0.7213-0.0000 ( 2857 PWs) bands (ev): -31.4454 -31.4454 -31.4295 -31.4295 -12.5099 -12.5099 -12.4670 -12.4670 -11.1690 -11.1690 -11.1186 -11.1186 -10.9840 -10.9840 -10.9050 -10.9050 1.1203 1.1203 5.3124 5.3124 6.2668 6.2668 8.4904 8.4904 8.5045 8.5045 8.9018 8.9018 11.3235 11.3235 11.3627 11.3627 12.1339 12.1339 12.3476 12.3476 12.9434 12.9434 k = 0.2361 0.7213-0.0000 ( 2859 PWs) bands (ev): -31.4458 -31.4458 -31.4291 -31.4291 -12.5111 -12.5111 -12.4660 -12.4660 -11.1701 -11.1701 -11.1184 -11.1184 -10.9846 -10.9846 -10.9039 -10.9039 1.1217 1.1217 5.3238 5.3238 6.2648 6.2648 8.4393 8.4393 8.5039 8.5039 8.9203 8.9203 11.3384 11.3384 11.3509 11.3509 12.1314 12.1314 12.3949 12.3949 12.9400 12.9400 k = 0.2179 0.7213-0.0000 ( 2858 PWs) bands (ev): -31.4462 -31.4462 -31.4286 -31.4286 -12.5125 -12.5125 -12.4650 -12.4650 -11.1714 -11.1714 -11.1180 -11.1180 -10.9851 -10.9851 -10.9028 -10.9028 1.1227 1.1227 5.3312 5.3312 6.2705 6.2705 8.3835 8.3835 8.5047 8.5047 8.9387 8.9387 11.3276 11.3276 11.3610 11.3610 12.1280 12.1280 12.4532 12.4532 12.9426 12.9426 k = 0.1998 0.7213-0.0000 ( 2856 PWs) bands (ev): -31.4466 -31.4466 -31.4282 -31.4282 -12.5137 -12.5137 -12.4640 -12.4640 -11.1727 -11.1727 -11.1175 -11.1175 -10.9857 -10.9857 -10.9017 -10.9017 1.1233 1.1233 5.3348 5.3348 6.2833 6.2833 8.3255 8.3255 8.5060 8.5060 8.9559 8.9559 11.3094 11.3094 11.3752 11.3752 12.1250 12.1250 12.5201 12.5201 12.9507 12.9507 k = 0.1816 0.7213-0.0000 ( 2857 PWs) bands (ev): -31.4470 -31.4470 -31.4278 -31.4278 -12.5150 -12.5150 -12.4629 -12.4629 -11.1741 -11.1741 -11.1170 -11.1170 -10.9863 -10.9863 -10.9005 -10.9005 1.1236 1.1236 5.3349 5.3349 6.3026 6.3026 8.2666 8.2666 8.5077 8.5077 8.9713 8.9713 11.2900 11.2900 11.3881 11.3881 12.1231 12.1231 12.5934 12.5934 12.9638 12.9638 k = 0.1634 0.7213-0.0000 ( 2862 PWs) bands (ev): -31.4474 -31.4474 -31.4274 -31.4274 -12.5162 -12.5162 -12.4619 -12.4619 -11.1754 -11.1754 -11.1165 -11.1165 -10.9868 -10.9868 -10.8995 -10.8995 1.1237 1.1237 5.3322 5.3322 6.3271 6.3271 8.2079 8.2079 8.5096 8.5096 8.9847 8.9847 11.2702 11.2702 11.3994 11.3994 12.1224 12.1224 12.6709 12.6709 12.9811 12.9811 k = 0.1453 0.7213-0.0000 ( 2857 PWs) bands (ev): -31.4477 -31.4477 -31.4270 -31.4270 -12.5173 -12.5173 -12.4610 -12.4610 -11.1766 -11.1766 -11.1159 -11.1159 -10.9873 -10.9873 -10.8985 -10.8985 1.1236 1.1236 5.3275 5.3275 6.3556 6.3556 8.1504 8.1504 8.5117 8.5117 8.9961 8.9961 11.2506 11.2506 11.4094 11.4094 12.1229 12.1229 12.7506 12.7506 13.0017 13.0017 k = 0.1271 0.7213-0.0000 ( 2857 PWs) bands (ev): -31.4481 -31.4481 -31.4266 -31.4266 -12.5183 -12.5183 -12.4602 -12.4602 -11.1778 -11.1778 -11.1153 -11.1153 -10.9878 -10.9878 -10.8975 -10.8975 1.1234 1.1234 5.3215 5.3215 6.3866 6.3866 8.0952 8.0952 8.5139 8.5139 9.0056 9.0056 11.2320 11.2320 11.4181 11.4181 12.1245 12.1245 12.8299 12.8299 13.0246 13.0246 k = 0.1090 0.7213-0.0000 ( 2859 PWs) bands (ev): -31.4484 -31.4484 -31.4263 -31.4263 -12.5192 -12.5192 -12.4594 -12.4594 -11.1789 -11.1789 -11.1148 -11.1148 -10.9882 -10.9882 -10.8967 -10.8967 1.1232 1.1232 5.3148 5.3148 6.4184 6.4184 8.0434 8.0434 8.5160 8.5160 9.0133 9.0133 11.2147 11.2147 11.4255 11.4255 12.1269 12.1269 12.9063 12.9063 13.0487 13.0487 k = 0.0908 0.7213-0.0000 ( 2857 PWs) bands (ev): -31.4486 -31.4486 -31.4260 -31.4260 -12.5200 -12.5200 -12.4587 -12.4587 -11.1798 -11.1798 -11.1144 -11.1144 -10.9886 -10.9886 -10.8959 -10.8959 1.1229 1.1229 5.3082 5.3082 6.4494 6.4494 7.9962 7.9962 8.5179 8.5179 9.0194 9.0194 11.1992 11.1992 11.4317 11.4317 12.1298 12.1298 12.9766 12.9766 13.0729 13.0729 k = 0.0726 0.7213-0.0000 ( 2851 PWs) bands (ev): -31.4488 -31.4488 -31.4258 -31.4258 -12.5206 -12.5206 -12.4582 -12.4582 -11.1806 -11.1806 -11.1140 -11.1140 -10.9889 -10.9889 -10.8953 -10.8953 1.1226 1.1226 5.3021 5.3021 6.4779 6.4779 7.9550 7.9550 8.5196 8.5196 9.0241 9.0241 11.1860 11.1860 11.4368 11.4368 12.1329 12.1329 13.0375 13.0375 13.0962 13.0962 k = 0.0545 0.7213-0.0000 ( 2851 PWs) bands (ev): -31.4490 -31.4490 -31.4256 -31.4256 -12.5211 -12.5211 -12.4578 -12.4578 -11.1813 -11.1813 -11.1137 -11.1137 -10.9891 -10.9891 -10.8948 -10.8948 1.1224 1.1224 5.2970 5.2970 6.5023 6.5023 7.9209 7.9209 8.5211 8.5211 9.0275 9.0275 11.1754 11.1754 11.4407 11.4407 12.1358 12.1358 13.0849 13.0849 13.1189 13.1189 k = 0.0363 0.7213-0.0000 ( 2851 PWs) bands (ev): -31.4491 -31.4491 -31.4255 -31.4255 -12.5214 -12.5214 -12.4574 -12.4574 -11.1817 -11.1817 -11.1134 -11.1134 -10.9893 -10.9893 -10.8945 -10.8945 1.1222 1.1222 5.2931 5.2931 6.5211 6.5211 7.8955 7.8955 8.5221 8.5221 9.0299 9.0299 11.1677 11.1677 11.4435 11.4435 12.1382 12.1382 13.1141 13.1141 13.1420 13.1420 k = 0.0182 0.7213-0.0000 ( 2843 PWs) bands (ev): -31.4492 -31.4492 -31.4254 -31.4254 -12.5217 -12.5217 -12.4573 -12.4573 -11.1820 -11.1820 -11.1133 -11.1133 -10.9894 -10.9894 -10.8943 -10.8943 1.1221 1.1221 5.2907 5.2907 6.5329 6.5329 7.8797 7.8797 8.5228 8.5228 9.0312 9.0312 11.1629 11.1629 11.4452 11.4452 12.1397 12.1397 13.1281 13.1281 13.1605 13.1605 k = 0.0000 0.7213-0.0000 ( 2844 PWs) bands (ev): -31.4492 -31.4492 -31.4254 -31.4254 -12.5217 -12.5217 -12.4572 -12.4572 -11.1821 -11.1821 -11.1133 -11.1133 -10.9895 -10.9895 -10.8942 -10.8942 1.1220 1.1220 5.2899 5.2899 6.5370 6.5370 7.8743 7.8743 8.5230 8.5230 9.0317 9.0317 11.1613 11.1613 11.4458 11.4458 12.1403 12.1403 13.1323 13.1323 13.1672 13.1672 k = 0.0000 0.7213-0.0000 ( 2844 PWs) bands (ev): -31.4492 -31.4492 -31.4254 -31.4254 -12.5217 -12.5217 -12.4572 -12.4572 -11.1821 -11.1821 -11.1133 -11.1133 -10.9895 -10.9895 -10.8942 -10.8942 1.1220 1.1220 5.2899 5.2899 6.5370 6.5370 7.8743 7.8743 8.5230 8.5230 9.0317 9.0317 11.1613 11.1613 11.4458 11.4458 12.1403 12.1403 13.1323 13.1323 13.1672 13.1672 k = 0.0000 0.7213 0.0179 ( 2840 PWs) bands (ev): -31.4492 -31.4492 -31.4254 -31.4254 -12.5217 -12.5217 -12.4572 -12.4572 -11.1821 -11.1821 -11.1132 -11.1132 -10.9896 -10.9896 -10.8943 -10.8943 1.1231 1.1231 5.2892 5.2892 6.5375 6.5375 7.8759 7.8759 8.5180 8.5180 9.0308 9.0308 11.1581 11.1581 11.4445 11.4445 12.1476 12.1476 13.1312 13.1312 13.1677 13.1677 k = 0.0000 0.7213 0.0358 ( 2842 PWs) bands (ev): -31.4491 -31.4491 -31.4254 -31.4254 -12.5218 -12.5218 -12.4574 -12.4574 -11.1823 -11.1823 -11.1130 -11.1130 -10.9902 -10.9902 -10.8948 -10.8948 1.1261 1.1261 5.2871 5.2871 6.5391 6.5391 7.8806 7.8806 8.5031 8.5031 9.0280 9.0280 11.1484 11.1484 11.4407 11.4407 12.1694 12.1694 13.1276 13.1276 13.1693 13.1693 k = 0.0000 0.7213 0.0537 ( 2846 PWs) bands (ev): -31.4490 -31.4490 -31.4253 -31.4253 -12.5219 -12.5219 -12.4577 -12.4577 -11.1826 -11.1826 -11.1127 -11.1127 -10.9912 -10.9912 -10.8955 -10.8955 1.1312 1.1312 5.2836 5.2836 6.5418 6.5418 7.8884 7.8884 8.4790 8.4790 9.0233 9.0233 11.1323 11.1323 11.4344 11.4344 12.2051 12.2051 13.1213 13.1213 13.1730 13.1730 k = 0.0000 0.7213 0.0716 ( 2848 PWs) bands (ev): -31.4488 -31.4488 -31.4253 -31.4253 -12.5220 -12.5220 -12.4581 -12.4581 -11.1829 -11.1829 -11.1122 -11.1122 -10.9925 -10.9925 -10.8965 -10.8965 1.1383 1.1383 5.2783 5.2783 6.5457 6.5457 7.8992 7.8992 8.4465 8.4465 9.0170 9.0170 11.1103 11.1103 11.4256 11.4256 12.2535 12.2535 13.1122 13.1122 13.1791 13.1791 k = 0.0000 0.7213 0.0895 ( 2850 PWs) bands (ev): -31.4486 -31.4486 -31.4252 -31.4252 -12.5221 -12.5221 -12.4587 -12.4587 -11.1834 -11.1834 -11.1117 -11.1117 -10.9942 -10.9942 -10.8978 -10.8978 1.1475 1.1475 5.2712 5.2712 6.5509 6.5509 7.9129 7.9129 8.4068 8.4068 9.0089 9.0089 11.0826 11.0826 11.4144 11.4144 12.3132 12.3132 13.1011 13.1011 13.1875 13.1875 k = 0.0000 0.7213 0.1074 ( 2848 PWs) bands (ev): -31.4484 -31.4484 -31.4251 -31.4251 -12.5223 -12.5223 -12.4593 -12.4593 -11.1839 -11.1839 -11.1110 -11.1110 -10.9962 -10.9962 -10.8993 -10.8993 1.1587 1.1587 5.2619 5.2619 6.5575 6.5575 7.9292 7.9292 8.3613 8.3613 8.9993 8.9993 11.0497 11.0497 11.4008 11.4008 12.3828 12.3828 13.0889 13.0889 13.1983 13.1983 k = 0.0000 0.7213 0.1253 ( 2852 PWs) bands (ev): -31.4481 -31.4481 -31.4251 -31.4251 -12.5224 -12.5224 -12.4601 -12.4601 -11.1846 -11.1846 -11.1103 -11.1103 -10.9986 -10.9986 -10.9011 -10.9011 1.1719 1.1719 5.2500 5.2500 6.5657 6.5657 7.9480 7.9480 8.3113 8.3113 8.9884 8.9884 11.0120 11.0120 11.3848 11.3848 12.4604 12.4604 13.0763 13.0763 13.2113 13.2113 k = 0.0000 0.7213 0.1432 ( 2856 PWs) bands (ev): -31.4477 -31.4477 -31.4250 -31.4250 -12.5227 -12.5227 -12.4609 -12.4609 -11.1853 -11.1853 -11.1094 -11.1094 -11.0013 -11.0013 -10.9031 -10.9031 1.1872 1.1872 5.2352 5.2352 6.5756 6.5756 7.9690 7.9690 8.2583 8.2583 8.9762 8.9762 10.9701 10.9701 11.3667 11.3667 12.5442 12.5442 13.0641 13.0641 13.2265 13.2265 k = 0.0000 0.7213 0.1611 ( 2858 PWs) bands (ev): -31.4473 -31.4473 -31.4249 -31.4249 -12.5229 -12.5229 -12.4619 -12.4619 -11.1860 -11.1860 -11.1084 -11.1084 -11.0043 -11.0043 -10.9054 -10.9054 1.2044 1.2044 5.2172 5.2172 6.5873 6.5873 7.9918 7.9918 8.2035 8.2035 8.9632 8.9632 10.9245 10.9245 11.3465 11.3465 12.6326 12.6326 13.0528 13.0528 13.2437 13.2437 k = 0.0000 0.7213 0.1790 ( 2858 PWs) bands (ev): -31.4469 -31.4469 -31.4247 -31.4247 -12.5232 -12.5232 -12.4630 -12.4630 -11.1868 -11.1868 -11.1074 -11.1074 -11.0076 -11.0076 -10.9079 -10.9079 1.2238 1.2238 5.1954 5.1954 6.6011 6.6011 8.0161 8.0161 8.1481 8.1481 8.9495 8.9495 10.8759 10.8759 11.3243 11.3243 12.7237 12.7237 13.0430 13.0430 13.2631 13.2631 k = 0.0000 0.7213 0.1969 ( 2856 PWs) bands (ev): -31.4465 -31.4465 -31.4246 -31.4246 -12.5235 -12.5235 -12.4642 -12.4642 -11.1877 -11.1877 -11.1063 -11.1063 -11.0112 -11.0112 -10.9105 -10.9105 1.2451 1.2451 5.1696 5.1696 6.6172 6.6172 8.0410 8.0410 8.0936 8.0936 8.9357 8.9357 10.8246 10.8246 11.3002 11.3002 12.8157 12.8157 13.0351 13.0351 13.2848 13.2848 k = 0.0000 0.7213 0.2148 ( 2852 PWs) bands (ev): -31.4460 -31.4460 -31.4245 -31.4245 -12.5238 -12.5238 -12.4655 -12.4655 -11.1886 -11.1886 -11.1052 -11.1052 -11.0149 -11.0149 -10.9134 -10.9134 1.2685 1.2685 5.1395 5.1395 6.6355 6.6355 8.0391 8.0391 8.0678 8.0678 8.9222 8.9222 10.7712 10.7712 11.2745 11.2745 12.9070 12.9070 13.0297 13.0297 13.3091 13.3091 k = 0.0000 0.7213 0.2327 ( 2854 PWs) bands (ev): -31.4454 -31.4454 -31.4243 -31.4243 -12.5241 -12.5241 -12.4669 -12.4669 -11.1895 -11.1895 -11.1040 -11.1040 -11.0189 -11.0189 -10.9164 -10.9164 1.2939 1.2939 5.1046 5.1046 6.6563 6.6563 7.9889 7.9889 8.0923 8.0923 8.9096 8.9096 10.7162 10.7162 11.2473 11.2473 12.9934 12.9934 13.0297 13.0297 13.3365 13.3365 k = 0.0000 0.7213 0.2506 ( 2856 PWs) bands (ev): -31.4449 -31.4449 -31.4242 -31.4242 -12.5245 -12.5245 -12.4684 -12.4684 -11.1905 -11.1905 -11.1028 -11.1028 -11.0231 -11.0231 -10.9196 -10.9196 1.3213 1.3213 5.0650 5.0650 6.6795 6.6795 7.9413 7.9413 8.1160 8.1160 8.8986 8.8986 10.6602 10.6602 11.2187 11.2187 13.0221 13.0221 13.0862 13.0862 13.3679 13.3679 k = 0.0000 0.7213 0.2685 ( 2854 PWs) bands (ev): -31.4443 -31.4443 -31.4241 -31.4241 -12.5248 -12.5248 -12.4700 -12.4700 -11.1914 -11.1914 -11.1016 -11.1016 -11.0273 -11.0273 -10.9229 -10.9229 1.3507 1.3507 5.0204 5.0204 6.7052 6.7052 7.8974 7.8974 8.1376 8.1376 8.8899 8.8899 10.6036 10.6036 11.1890 11.1890 13.0255 13.0255 13.1651 13.1651 13.4048 13.4048 k = 0.0000 0.7213 0.2864 ( 2858 PWs) bands (ev): -31.4436 -31.4436 -31.4239 -31.4239 -12.5252 -12.5252 -12.4717 -12.4717 -11.1923 -11.1923 -11.1005 -11.1005 -11.0316 -11.0316 -10.9263 -10.9263 1.3821 1.3821 4.9709 4.9709 6.7334 6.7334 7.8577 7.8577 8.1560 8.1560 8.8844 8.8844 10.5467 10.5467 11.1582 11.1582 13.0310 13.0310 13.2368 13.2368 13.4492 13.4492 k = 0.0000 0.7213 0.3043 ( 2852 PWs) bands (ev): -31.4430 -31.4430 -31.4238 -31.4238 -12.5256 -12.5256 -12.4735 -12.4735 -11.1932 -11.1932 -11.0994 -11.0994 -11.0359 -11.0359 -10.9298 -10.9298 1.4155 1.4155 4.9166 4.9166 6.7638 6.7638 7.8226 7.8226 8.1702 8.1702 8.8827 8.8827 10.4901 10.4901 11.1266 11.1266 13.0395 13.0395 13.2987 13.2987 13.5026 13.5026 k = 0.0000 0.7213 0.3222 ( 2856 PWs) bands (ev): -31.4423 -31.4423 -31.4237 -31.4237 -12.5260 -12.5260 -12.4753 -12.4753 -11.1941 -11.1941 -11.0985 -11.0985 -11.0402 -11.0402 -10.9334 -10.9334 1.4510 1.4510 4.8575 4.8575 6.7963 6.7963 7.7923 7.7923 8.1793 8.1793 8.8854 8.8854 10.4343 10.4343 11.0944 11.0944 13.0511 13.0511 13.3509 13.3509 13.5650 13.5650 k = 0.0000 0.7213 0.3401 ( 2852 PWs) bands (ev): -31.4416 -31.4416 -31.4235 -31.4235 -12.5264 -12.5264 -12.4773 -12.4773 -11.1949 -11.1949 -11.0978 -11.0978 -11.0443 -11.0443 -10.9370 -10.9370 1.4884 1.4884 4.7941 4.7941 6.8307 6.8307 7.7671 7.7671 8.1829 8.1829 8.8927 8.8927 10.3797 10.3797 11.0617 11.0617 13.0660 13.0660 13.3955 13.3955 13.6336 13.6336 k = 0.0000 0.7213 0.3580 ( 2850 PWs) bands (ev): -31.4409 -31.4409 -31.4234 -31.4234 -12.5268 -12.5268 -12.4793 -12.4793 -11.1956 -11.1956 -11.0975 -11.0975 -11.0480 -11.0480 -10.9407 -10.9407 1.5278 1.5278 4.7265 4.7265 6.8667 6.8667 7.7470 7.7470 8.1806 8.1806 8.9044 8.9044 10.3268 10.3268 11.0286 11.0286 13.0840 13.0840 13.4352 13.4352 13.7048 13.7048 k = 0.0000 0.7213 0.3759 ( 2846 PWs) bands (ev): -31.4402 -31.4402 -31.4233 -31.4233 -12.5272 -12.5272 -12.4813 -12.4813 -11.1963 -11.1963 -11.0976 -11.0976 -11.0513 -11.0513 -10.9445 -10.9445 1.5692 1.5692 4.6551 4.6551 6.9039 6.9039 7.7324 7.7324 8.1726 8.1726 8.9198 8.9198 10.2762 10.2762 10.9953 10.9953 13.1053 13.1053 13.4721 13.4721 13.7729 13.7729 k = 0.0000 0.7213 0.3938 ( 2846 PWs) bands (ev): -31.4394 -31.4394 -31.4232 -31.4232 -12.5276 -12.5276 -12.4834 -12.4834 -11.1968 -11.1968 -11.0983 -11.0983 -11.0541 -11.0541 -10.9483 -10.9483 1.6126 1.6126 4.5803 4.5803 6.9420 6.9420 7.7231 7.7231 8.1593 8.1593 8.9378 8.9378 10.2284 10.2284 10.9619 10.9619 13.1299 13.1299 13.5074 13.5074 13.8262 13.8262 k = 0.0000 0.7213 0.4117 ( 2850 PWs) bands (ev): -31.4387 -31.4387 -31.4231 -31.4231 -12.5279 -12.5279 -12.4856 -12.4856 -11.1973 -11.1973 -11.0997 -11.0997 -11.0561 -11.0561 -10.9521 -10.9521 1.6579 1.6579 4.5025 4.5025 6.9804 6.9804 7.7195 7.7195 8.1413 8.1413 8.9572 8.9572 10.1843 10.1843 10.9286 10.9286 13.1575 13.1575 13.5417 13.5417 13.8559 13.8559 k = 0.0000 0.7213 0.4296 ( 2856 PWs) bands (ev): -31.4380 -31.4380 -31.4231 -31.4231 -12.5283 -12.5283 -12.4878 -12.4878 -11.1977 -11.1977 -11.1019 -11.1019 -11.0573 -11.0573 -10.9559 -10.9559 1.7053 1.7053 4.4222 4.4222 7.0188 7.0188 7.7215 7.7215 8.1194 8.1194 8.9763 8.9763 10.1445 10.1445 10.8954 10.8954 13.1882 13.1882 13.5754 13.5754 13.8725 13.8725 k = 0.0000 0.7213 0.4475 ( 2852 PWs) bands (ev): -31.4372 -31.4372 -31.4230 -31.4230 -12.5286 -12.5286 -12.4900 -12.4900 -11.1979 -11.1979 -11.1047 -11.1047 -11.0578 -11.0578 -10.9597 -10.9597 1.7545 1.7545 4.3395 4.3395 7.0567 7.0567 7.7292 7.7292 8.0943 8.0943 8.9936 8.9936 10.1099 10.1099 10.8625 10.8625 13.2218 13.2218 13.6086 13.6086 13.8848 13.8848 k = 0.0000 0.7213 0.4654 ( 2850 PWs) bands (ev): -31.4364 -31.4364 -31.4230 -31.4230 -12.5288 -12.5288 -12.4922 -12.4922 -11.1980 -11.1980 -11.1081 -11.1081 -11.0576 -11.0576 -10.9635 -10.9635 1.8057 1.8057 4.2551 4.2551 7.0936 7.0936 7.7426 7.7426 8.0666 8.0666 9.0074 9.0074 10.0814 10.0814 10.8298 10.8298 13.2581 13.2581 13.6413 13.6413 13.8959 13.8959 k = 0.0000 0.7213 0.4833 ( 2850 PWs) bands (ev): -31.4357 -31.4357 -31.4230 -31.4230 -12.5291 -12.5291 -12.4945 -12.4945 -11.1980 -11.1980 -11.1120 -11.1120 -11.0568 -11.0568 -10.9673 -10.9673 1.8589 1.8589 4.1691 4.1691 7.1293 7.1293 7.7618 7.7618 8.0369 8.0369 9.0163 9.0163 10.0596 10.0596 10.7975 10.7975 13.2968 13.2968 13.6733 13.6733 13.9067 13.9067 k = 0.0000 0.7213 0.5012 ( 2852 PWs) bands (ev): -31.4349 -31.4349 -31.4230 -31.4230 -12.5292 -12.5292 -12.4967 -12.4967 -11.1978 -11.1978 -11.1162 -11.1162 -11.0556 -11.0556 -10.9710 -10.9710 1.9139 1.9139 4.0820 4.0820 7.1635 7.1635 7.7865 7.7865 8.0057 8.0057 9.0190 9.0190 10.0453 10.0453 10.7656 10.7656 13.3378 13.3378 13.7044 13.7044 13.9180 13.9180 k = 0.0000 0.7213 0.5191 ( 2854 PWs) bands (ev): -31.4342 -31.4342 -31.4230 -31.4230 -12.5293 -12.5293 -12.4989 -12.4989 -11.1974 -11.1974 -11.1207 -11.1207 -11.0540 -11.0540 -10.9748 -10.9748 1.9708 1.9708 3.9941 3.9941 7.1961 7.1961 7.8165 7.8165 7.9735 7.9735 9.0148 9.0148 10.0385 10.0385 10.7342 10.7342 13.3807 13.3807 13.7345 13.7345 13.9301 13.9301 k = 0.0000 0.7213 0.5370 ( 2856 PWs) bands (ev): -31.4335 -31.4335 -31.4231 -31.4231 -12.5294 -12.5294 -12.5012 -12.5012 -11.1968 -11.1968 -11.1253 -11.1253 -11.0521 -11.0521 -10.9785 -10.9785 2.0297 2.0297 3.9055 3.9055 7.2270 7.2270 7.8509 7.8509 7.9412 7.9412 9.0032 9.0032 10.0393 10.0393 10.7031 10.7031 13.4251 13.4251 13.7630 13.7630 13.9433 13.9433 k = 0.0000 0.7213 0.5549 ( 2854 PWs) bands (ev): -31.4327 -31.4327 -31.4232 -31.4232 -12.5293 -12.5293 -12.5033 -12.5033 -11.1961 -11.1961 -11.1299 -11.1299 -11.0501 -11.0501 -10.9822 -10.9822 2.0904 2.0904 3.8167 3.8167 7.2565 7.2565 7.8846 7.8846 7.9136 7.9136 8.9845 8.9845 10.0470 10.0470 10.6725 10.6725 13.4705 13.4705 13.7897 13.7897 13.9578 13.9578 k = 0.0000 0.7213 0.5728 ( 2862 PWs) bands (ev): -31.4320 -31.4320 -31.4233 -31.4233 -12.5292 -12.5292 -12.5055 -12.5055 -11.1952 -11.1952 -11.1345 -11.1345 -11.0478 -11.0478 -10.9858 -10.9858 2.1529 2.1529 3.7278 3.7278 7.2848 7.2848 7.8692 7.8692 7.9389 7.9389 8.9589 8.9589 10.0609 10.0609 10.6422 10.6422 13.5164 13.5164 13.8141 13.8141 13.9737 13.9737 k = 0.0000 0.7213 0.5907 ( 2862 PWs) bands (ev): -31.4314 -31.4314 -31.4235 -31.4235 -12.5290 -12.5290 -12.5075 -12.5075 -11.1941 -11.1941 -11.1391 -11.1391 -11.0454 -11.0454 -10.9894 -10.9894 2.2173 2.2173 3.6391 3.6391 7.3120 7.3120 7.8367 7.8367 7.9849 7.9849 8.9273 8.9273 10.0800 10.0800 10.6122 10.6122 13.5624 13.5624 13.8357 13.8357 13.9914 13.9914 k = 0.0000 0.7213 0.6086 ( 2854 PWs) bands (ev): -31.4307 -31.4307 -31.4236 -31.4236 -12.5287 -12.5287 -12.5096 -12.5096 -11.1927 -11.1927 -11.1436 -11.1436 -11.0429 -11.0429 -10.9930 -10.9930 2.2834 2.2834 3.5507 3.5507 7.3386 7.3386 7.8034 7.8034 8.0347 8.0347 8.8904 8.8904 10.1031 10.1031 10.5825 10.5825 13.6077 13.6077 13.8543 13.8543 14.0106 14.0106 k = 0.0000 0.7213 0.6265 ( 2852 PWs) bands (ev): -31.4300 -31.4300 -31.4238 -31.4238 -12.5283 -12.5283 -12.5115 -12.5115 -11.1912 -11.1912 -11.1480 -11.1480 -11.0403 -11.0403 -10.9965 -10.9965 2.3514 2.3514 3.4628 3.4628 7.3647 7.3647 7.7702 7.7702 8.0872 8.0872 8.8490 8.8490 10.1293 10.1293 10.5529 10.5529 13.6516 13.6516 13.8696 13.8696 14.0313 14.0313 k = 0.0000 0.7213 0.6444 ( 2854 PWs) bands (ev): -31.4294 -31.4294 -31.4241 -31.4241 -12.5278 -12.5278 -12.5134 -12.5134 -11.1894 -11.1894 -11.1523 -11.1523 -11.0376 -11.0376 -11.0000 -11.0000 2.4211 2.4211 3.3756 3.3756 7.3907 7.3907 7.7373 7.7373 8.1415 8.1415 8.8038 8.8038 10.1578 10.1578 10.5234 10.5234 13.6936 13.6936 13.8814 13.8814 14.0531 14.0531 k = 0.0000 0.7213 0.6623 ( 2858 PWs) bands (ev): -31.4288 -31.4288 -31.4243 -31.4243 -12.5273 -12.5273 -12.5152 -12.5152 -11.1875 -11.1875 -11.1564 -11.1564 -11.0348 -11.0348 -11.0034 -11.0034 2.4925 2.4925 3.2892 3.2892 7.4167 7.4167 7.7050 7.7050 8.1974 8.1974 8.7555 8.7555 10.1877 10.1877 10.4939 10.4939 13.7328 13.7328 13.8897 13.8897 14.0758 14.0758 k = 0.0000 0.7213 0.6802 ( 2860 PWs) bands (ev): -31.4282 -31.4282 -31.4247 -31.4247 -12.5266 -12.5266 -12.5169 -12.5169 -11.1853 -11.1853 -11.1604 -11.1604 -11.0319 -11.0319 -11.0068 -11.0068 2.5655 2.5655 3.2038 3.2038 7.4430 7.4430 7.6732 7.6732 8.2542 8.2542 8.7047 8.7047 10.2185 10.2185 10.4643 10.4643 13.7688 13.7688 13.8941 13.8941 14.0992 14.0992 k = 0.0000 0.7213 0.6981 ( 2858 PWs) bands (ev): -31.4277 -31.4277 -31.4250 -31.4250 -12.5257 -12.5257 -12.5184 -12.5184 -11.1829 -11.1829 -11.1642 -11.1642 -11.0290 -11.0290 -11.0101 -11.0101 2.6402 2.6402 3.1194 3.1194 7.4696 7.4696 7.6420 7.6420 8.3117 8.3117 8.6518 8.6518 10.2498 10.2498 10.4346 10.4346 13.8007 13.8007 13.8946 13.8946 14.1229 14.1229 k = 0.0000 0.7213 0.7160 ( 2856 PWs) bands (ev): -31.4271 -31.4271 -31.4254 -31.4254 -12.5248 -12.5248 -12.5199 -12.5199 -11.1803 -11.1803 -11.1678 -11.1678 -11.0260 -11.0260 -11.0134 -11.0134 2.7165 2.7165 3.0362 3.0362 7.4967 7.4967 7.6116 7.6116 8.3695 8.3695 8.5973 8.5973 10.2812 10.2812 10.4045 10.4045 13.8284 13.8284 13.8908 13.8908 14.1470 14.1470 k = 0.0000 0.7213 0.7339 ( 2856 PWs) bands (ev): -31.4266 -31.4266 -31.4258 -31.4258 -12.5238 -12.5238 -12.5213 -12.5213 -11.1775 -11.1775 -11.1712 -11.1712 -11.0229 -11.0229 -11.0166 -11.0166 2.7942 2.7942 2.9542 2.9542 7.5244 7.5244 7.5818 7.5818 8.4273 8.4273 8.5415 8.5415 10.3125 10.3125 10.3742 10.3742 13.8513 13.8513 13.8824 13.8824 14.1713 14.1713 k = 0.0000 0.7213 0.7518 ( 2860 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5226 -12.5226 -12.5226 -12.5226 -11.1745 -11.1745 -11.1745 -11.1745 -11.0198 -11.0198 -11.0198 -11.0198 2.8735 2.8735 2.8735 2.8735 7.5528 7.5528 7.5528 7.5528 8.4847 8.4847 8.4847 8.4847 10.3435 10.3435 10.3435 10.3435 13.8693 13.8693 13.8693 13.8693 14.1959 14.1959 k = 0.0000 0.7213 0.7518 ( 2860 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5226 -12.5226 -12.5226 -12.5226 -11.1745 -11.1745 -11.1745 -11.1745 -11.0198 -11.0198 -11.0198 -11.0198 2.8735 2.8735 2.8735 2.8735 7.5528 7.5528 7.5528 7.5528 8.4847 8.4847 8.4847 8.4847 10.3435 10.3435 10.3435 10.3435 13.8693 13.8693 13.8693 13.8693 14.1959 14.1959 k = 0.0182 0.7213 0.7518 ( 2862 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5228 -12.5228 -12.5224 -12.5224 -11.1788 -11.1788 -11.1700 -11.1700 -11.0241 -11.0241 -11.0156 -11.0156 2.8730 2.8730 2.8746 2.8746 7.5501 7.5501 7.5511 7.5511 8.4846 8.4846 8.4880 8.4880 10.3437 10.3437 10.3456 10.3456 13.8632 13.8632 13.8663 13.8663 14.1900 14.1900 k = 0.0363 0.7213 0.7518 ( 2860 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5231 -12.5231 -12.5222 -12.5222 -11.1831 -11.1831 -11.1654 -11.1654 -11.0285 -11.0285 -11.0114 -11.0114 2.8730 2.8730 2.8762 2.8762 7.5432 7.5432 7.5453 7.5453 8.4878 8.4878 8.4945 8.4945 10.3462 10.3462 10.3500 10.3500 13.8475 13.8475 13.8533 13.8533 14.1790 14.1790 k = 0.0545 0.7213 0.7518 ( 2856 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5233 -12.5233 -12.5220 -12.5220 -11.1871 -11.1871 -11.1607 -11.1607 -11.0330 -11.0330 -11.0074 -11.0074 2.8737 2.8737 2.8784 2.8784 7.5324 7.5324 7.5355 7.5355 8.4940 8.4940 8.5038 8.5038 10.3509 10.3509 10.3565 10.3565 13.8210 13.8210 13.8289 13.8289 14.1670 14.1670 k = 0.0726 0.7213 0.7518 ( 2856 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5236 -12.5236 -12.5218 -12.5218 -11.1910 -11.1910 -11.1559 -11.1559 -11.0374 -11.0374 -11.0035 -11.0035 2.8748 2.8748 2.8811 2.8811 7.5180 7.5180 7.5222 7.5222 8.5027 8.5027 8.5156 8.5156 10.3577 10.3577 10.3651 10.3651 13.7827 13.7827 13.7916 13.7916 14.1581 14.1581 k = 0.0908 0.7213 0.7518 ( 2854 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5239 -12.5239 -12.5217 -12.5217 -11.1947 -11.1947 -11.1512 -11.1512 -11.0419 -11.0419 -10.9998 -10.9998 2.8765 2.8765 2.8843 2.8843 7.5007 7.5007 7.5060 7.5060 8.5136 8.5136 8.5294 8.5294 10.3664 10.3664 10.3754 10.3754 13.7330 13.7330 13.7419 13.7419 14.1551 14.1551 k = 0.1090 0.7213 0.7518 ( 2850 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5241 -12.5241 -12.5215 -12.5215 -11.1982 -11.1982 -11.1465 -11.1465 -11.0463 -11.0463 -10.9963 -10.9963 2.8786 2.8786 2.8878 2.8878 7.4810 7.4810 7.4874 7.4874 8.5262 8.5262 8.5446 8.5446 10.3769 10.3769 10.3874 10.3874 13.6739 13.6739 13.6819 13.6819 14.1591 14.1591 k = 0.1271 0.7213 0.7518 ( 2848 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5244 -12.5244 -12.5214 -12.5214 -11.2014 -11.2014 -11.1418 -11.1418 -11.0506 -11.0506 -10.9929 -10.9929 2.8812 2.8812 2.8918 2.8918 7.4596 7.4596 7.4670 7.4670 8.5399 8.5399 8.5607 8.5607 10.3887 10.3887 10.4006 10.4006 13.6079 13.6079 13.6147 13.6147 14.1696 14.1696 k = 0.1453 0.7213 0.7518 ( 2846 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5246 -12.5246 -12.5214 -12.5214 -11.2044 -11.2044 -11.1372 -11.1372 -11.0548 -11.0548 -10.9898 -10.9898 2.8841 2.8841 2.8960 2.8960 7.4371 7.4371 7.4455 7.4455 8.5542 8.5542 8.5773 8.5773 10.4016 10.4016 10.4147 10.4147 13.5378 13.5378 13.5433 13.5433 14.1857 14.1857 k = 0.1634 0.7213 0.7518 ( 2836 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5249 -12.5249 -12.5213 -12.5213 -11.2071 -11.2071 -11.1328 -11.1328 -11.0588 -11.0588 -10.9869 -10.9869 2.8873 2.8873 2.9003 2.9003 7.4141 7.4141 7.4234 7.4234 8.5688 8.5688 8.5937 8.5937 10.4153 10.4153 10.4294 10.4294 13.4660 13.4660 13.4702 13.4702 14.2067 14.2067 k = 0.1816 0.7213 0.7518 ( 2836 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5251 -12.5251 -12.5212 -12.5212 -11.2095 -11.2095 -11.1287 -11.1287 -11.0626 -11.0626 -10.9842 -10.9842 2.8907 2.8907 2.9049 2.9049 7.3911 7.3911 7.4012 7.4012 8.5831 8.5831 8.6098 8.6098 10.4291 10.4291 10.4441 10.4441 13.3946 13.3946 13.3978 13.3978 14.2320 14.2320 k = 0.1998 0.7213 0.7518 ( 2836 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5253 -12.5253 -12.5212 -12.5212 -11.2117 -11.2117 -11.1249 -11.1249 -11.0660 -11.0660 -10.9817 -10.9817 2.8943 2.8943 2.9094 2.9094 7.3687 7.3687 7.3795 7.3795 8.5970 8.5970 8.6251 8.6251 10.4427 10.4427 10.4583 10.4583 13.3253 13.3253 13.3276 13.3276 14.2612 14.2612 k = 0.2179 0.7213 0.7518 ( 2836 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5254 -12.5254 -12.5212 -12.5212 -11.2136 -11.2136 -11.1216 -11.1216 -11.0688 -11.0688 -10.9795 -10.9795 2.8979 2.8979 2.9139 2.9139 7.3472 7.3472 7.3586 7.3586 8.6101 8.6101 8.6393 8.6393 10.4556 10.4556 10.4717 10.4717 13.2595 13.2595 13.2611 13.2611 14.2940 14.2940 k = 0.2361 0.7213 0.7518 ( 2838 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5256 -12.5256 -12.5212 -12.5212 -11.2152 -11.2152 -11.1190 -11.1190 -11.0711 -11.0711 -10.9776 -10.9776 2.9015 2.9015 2.9182 2.9182 7.3271 7.3271 7.3389 7.3389 8.6222 8.6222 8.6524 8.6524 10.4673 10.4673 10.4836 10.4836 13.1984 13.1984 13.1994 13.1994 14.3299 14.3299 k = 0.2542 0.7213 0.7518 ( 2838 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5257 -12.5257 -12.5212 -12.5212 -11.2165 -11.2165 -11.1172 -11.1172 -11.0724 -11.0724 -10.9759 -10.9759 2.9049 2.9049 2.9222 2.9222 7.3088 7.3088 7.3209 7.3209 8.6331 8.6331 8.6641 8.6641 10.4771 10.4771 10.4935 10.4935 13.1430 13.1430 13.1436 13.1436 14.3688 14.3688 k = 0.2724 0.7213 0.7518 ( 2844 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5258 -12.5258 -12.5212 -12.5212 -11.2175 -11.2175 -11.1164 -11.1164 -11.0729 -11.0729 -10.9745 -10.9745 2.9081 2.9081 2.9259 2.9259 7.2926 7.2926 7.3047 7.3047 8.6428 8.6428 8.6742 8.6742 10.4848 10.4848 10.5011 10.5011 13.0940 13.0940 13.0944 13.0944 14.4103 14.4103 k = 0.2906 0.7213 0.7518 ( 2844 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5258 -12.5258 -12.5213 -12.5213 -11.2182 -11.2182 -11.1166 -11.1166 -11.0723 -11.0723 -10.9734 -10.9734 2.9110 2.9110 2.9292 2.9292 7.2787 7.2787 7.2907 7.2907 8.6511 8.6511 8.6828 8.6828 10.4898 10.4898 10.5058 10.5058 13.0520 13.0520 13.0524 13.0524 14.4542 14.4542 k = 0.2906 0.7213 0.7518 ( 2844 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5258 -12.5258 -12.5213 -12.5213 -11.2182 -11.2182 -11.1166 -11.1166 -11.0723 -11.0723 -10.9734 -10.9734 2.9110 2.9110 2.9292 2.9292 7.2787 7.2787 7.2907 7.2907 8.6511 8.6511 8.6828 8.6828 10.4898 10.4898 10.5058 10.5058 13.0520 13.0520 13.0524 13.0524 14.4542 14.4542 k = 0.2838 0.7045 0.7518 ( 2840 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5258 -12.5258 -12.5212 -12.5212 -11.2167 -11.2167 -11.1149 -11.1149 -11.0749 -11.0749 -10.9760 -10.9760 2.9037 2.9037 2.9211 2.9211 7.3126 7.3126 7.3252 7.3252 8.6309 8.6309 8.6621 8.6621 10.4807 10.4807 10.4978 10.4978 13.1534 13.1534 13.1537 13.1537 14.3357 14.3357 k = 0.2771 0.6878 0.7518 ( 2840 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5257 -12.5257 -12.5211 -12.5211 -11.2150 -11.2150 -11.1135 -11.1135 -11.0771 -11.0771 -10.9786 -10.9786 2.8964 2.8964 2.9130 2.9130 7.3469 7.3469 7.3602 7.3602 8.6111 8.6111 8.6414 8.6414 10.4723 10.4723 10.4904 10.4904 13.2527 13.2527 13.2530 13.2530 14.2213 14.2213 k = 0.2703 0.6710 0.7518 ( 2844 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5256 -12.5256 -12.5209 -12.5209 -11.2132 -11.2132 -11.1125 -11.1125 -11.0788 -11.0788 -10.9812 -10.9812 2.8892 2.8892 2.9049 2.9049 7.3814 7.3814 7.3955 7.3955 8.5918 8.5918 8.6211 8.6211 10.4640 10.4640 10.4833 10.4833 13.3485 13.3485 13.3485 13.3485 14.1139 14.1139 k = 0.2635 0.6542 0.7518 ( 2840 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5254 -12.5254 -12.5207 -12.5207 -11.2112 -11.2112 -11.1118 -11.1118 -11.0800 -11.0800 -10.9839 -10.9839 2.8820 2.8820 2.8969 2.8969 7.4157 7.4157 7.4309 7.4309 8.5732 8.5732 8.6013 8.6013 10.4555 10.4555 10.4761 10.4761 13.4367 13.4367 13.4376 13.4376 14.0178 14.0178 k = 0.2568 0.6374 0.7518 ( 2836 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5252 -12.5252 -12.5205 -12.5205 -11.2090 -11.2090 -11.1116 -11.1116 -11.0805 -11.0805 -10.9866 -10.9866 2.8750 2.8750 2.8889 2.8889 7.4498 7.4498 7.4660 7.4660 8.5554 8.5554 8.5822 8.5822 10.4463 10.4463 10.4682 10.4682 13.5096 13.5096 13.5128 13.5128 13.9415 13.9415 k = 0.2500 0.6207 0.7518 ( 2838 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5249 -12.5249 -12.5202 -12.5202 -11.2067 -11.2067 -11.1119 -11.1119 -11.0805 -11.0805 -10.9894 -10.9894 2.8681 2.8681 2.8812 2.8812 7.4832 7.4832 7.5008 7.5008 8.5388 8.5388 8.5640 8.5640 10.4361 10.4361 10.4593 10.4593 13.5499 13.5499 13.5579 13.5579 13.9027 13.9027 k = 0.2433 0.6039 0.7518 ( 2830 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5246 -12.5246 -12.5199 -12.5199 -11.2042 -11.2042 -11.1126 -11.1126 -11.0800 -11.0800 -10.9922 -10.9922 2.8614 2.8614 2.8735 2.8735 7.5158 7.5158 7.5348 7.5348 8.5235 8.5235 8.5470 8.5470 10.4244 10.4244 10.4490 10.4490 13.5412 13.5412 13.5542 13.5542 13.9143 13.9143 k = 0.2365 0.5871 0.7518 ( 2830 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5242 -12.5242 -12.5195 -12.5195 -11.2016 -11.2016 -11.1136 -11.1136 -11.0790 -11.0790 -10.9950 -10.9950 2.8550 2.8550 2.8661 2.8661 7.5472 7.5472 7.5678 7.5678 8.5097 8.5097 8.5312 8.5312 10.4110 10.4110 10.4370 10.4370 13.4966 13.4966 13.5115 13.5115 13.9662 13.9662 k = 0.2298 0.5703 0.7518 ( 2830 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5238 -12.5238 -12.5191 -12.5191 -11.1988 -11.1988 -11.1148 -11.1148 -11.0777 -11.0777 -10.9978 -10.9978 2.8488 2.8488 2.8590 2.8590 7.5772 7.5772 7.5996 7.5996 8.4976 8.4976 8.5170 8.5170 10.3956 10.3956 10.4229 10.4229 13.4390 13.4390 13.4540 13.4540 14.0377 14.0377 k = 0.2230 0.5536 0.7518 ( 2826 PWs) bands (ev): -31.4262 -31.4262 -31.4262 -31.4262 -12.5233 -12.5233 -12.5187 -12.5187 -11.1959 -11.1959 -11.1162 -11.1162 -11.0762 -11.0762 -11.0006 -11.0006 2.8428 2.8428 2.8521 2.8521 7.6056 7.6056 7.6297 7.6297 8.4874 8.4874 8.5044 8.5044 10.3780 10.3780 10.4066 10.4066 13.3804 13.3804 13.3949 13.3949 14.1153 14.1153 k = 0.2162 0.5368 0.7518 ( 2828 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5228 -12.5228 -12.5182 -12.5182 -11.1928 -11.1928 -11.1176 -11.1176 -11.0744 -11.0744 -11.0034 -11.0034 2.8372 2.8372 2.8455 2.8455 7.6319 7.6319 7.6580 7.6580 8.4793 8.4793 8.4938 8.4938 10.3580 10.3580 10.3879 10.3879 13.3257 13.3257 13.3397 13.3397 14.1931 14.1931 k = 0.2095 0.5200 0.7518 ( 2832 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5222 -12.5222 -12.5177 -12.5177 -11.1897 -11.1897 -11.1190 -11.1190 -11.0726 -11.0726 -11.0062 -11.0062 2.8318 2.8318 2.8391 2.8391 7.6562 7.6562 7.6842 7.6842 8.4733 8.4733 8.4854 8.4854 10.3356 10.3356 10.3666 10.3666 13.2771 13.2771 13.2907 13.2907 14.2682 14.2682 k = 0.2027 0.5032 0.7518 ( 2836 PWs) bands (ev): -31.4264 -31.4264 -31.4264 -31.4264 -12.5216 -12.5216 -12.5172 -12.5172 -11.1864 -11.1864 -11.1204 -11.1204 -11.0707 -11.0707 -11.0091 -11.0091 2.8267 2.8267 2.8331 2.8331 7.6780 7.6780 7.7079 7.7079 8.4696 8.4696 8.4791 8.4791 10.3109 10.3109 10.3429 10.3429 13.2355 13.2355 13.2488 13.2488 14.3389 14.3389 k = 0.1960 0.4865 0.7518 ( 2832 PWs) bands (ev): -31.4265 -31.4265 -31.4265 -31.4265 -12.5210 -12.5210 -12.5166 -12.5166 -11.1830 -11.1830 -11.1217 -11.1217 -11.0687 -11.0687 -11.0119 -11.0119 2.8219 2.8219 2.8274 2.8274 7.6973 7.6973 7.7290 7.7290 8.4682 8.4682 8.4753 8.4753 10.2841 10.2841 10.3167 10.3167 13.2013 13.2013 13.2145 13.2145 14.4040 14.4040 k = 0.1892 0.4697 0.7518 ( 2834 PWs) bands (ev): -31.4265 -31.4265 -31.4265 -31.4265 -12.5203 -12.5203 -12.5160 -12.5160 -11.1795 -11.1795 -11.1229 -11.1229 -11.0667 -11.0667 -11.0147 -11.0147 2.8174 2.8174 2.8220 2.8220 7.7141 7.7141 7.7473 7.7473 8.4691 8.4691 8.4739 8.4739 10.2552 10.2552 10.2884 10.2884 13.1747 13.1747 13.1881 13.1881 14.4624 14.4624 k = 0.1824 0.4529 0.7518 ( 2830 PWs) bands (ev): -31.4266 -31.4266 -31.4266 -31.4266 -12.5196 -12.5196 -12.5153 -12.5153 -11.1759 -11.1759 -11.1240 -11.1240 -11.0648 -11.0648 -11.0174 -11.0174 2.8131 2.8131 2.8169 2.8169 7.7282 7.7282 7.7628 7.7628 8.4722 8.4722 8.4748 8.4748 10.2245 10.2245 10.2581 10.2581 13.1556 13.1556 13.1692 13.1692 14.5135 14.5135 k = 0.1757 0.4361 0.7518 ( 2830 PWs) bands (ev): -31.4267 -31.4267 -31.4267 -31.4267 -12.5188 -12.5188 -12.5147 -12.5147 -11.1723 -11.1723 -11.1251 -11.1251 -11.0628 -11.0628 -11.0201 -11.0201 2.8092 2.8092 2.8121 2.8121 7.7398 7.7398 7.7753 7.7753 8.4774 8.4774 8.4781 8.4781 10.1925 10.1925 10.2262 10.2262 13.1436 13.1436 13.1579 13.1579 14.5569 14.5569 k = 0.1689 0.4194 0.7518 ( 2836 PWs) bands (ev): -31.4268 -31.4268 -31.4268 -31.4268 -12.5180 -12.5180 -12.5140 -12.5140 -11.1686 -11.1686 -11.1260 -11.1260 -11.0609 -11.0609 -11.0228 -11.0228 2.8055 2.8055 2.8076 2.8076 7.7489 7.7489 7.7851 7.7851 8.4835 8.4835 8.4845 8.4845 10.1594 10.1594 10.1930 10.1930 13.1386 13.1386 13.1535 13.1535 14.5923 14.5923 k = 0.1622 0.4026 0.7518 ( 2836 PWs) bands (ev): -31.4269 -31.4269 -31.4269 -31.4269 -12.5172 -12.5172 -12.5133 -12.5133 -11.1649 -11.1649 -11.1268 -11.1268 -11.0591 -11.0591 -11.0255 -11.0255 2.8020 2.8020 2.8034 2.8034 7.7558 7.7558 7.7923 7.7923 8.4908 8.4908 8.4931 8.4931 10.1257 10.1257 10.1590 10.1590 13.1399 13.1399 13.1558 13.1558 14.6198 14.6198 k = 0.1554 0.3858 0.7518 ( 2840 PWs) bands (ev): -31.4270 -31.4270 -31.4270 -31.4270 -12.5164 -12.5164 -12.5126 -12.5126 -11.1612 -11.1612 -11.1274 -11.1274 -11.0573 -11.0573 -11.0281 -11.0281 2.7988 2.7988 2.7994 2.7994 7.7607 7.7607 7.7970 7.7970 8.4997 8.4997 8.5029 8.5029 10.0917 10.0917 10.1244 10.1244 13.1471 13.1471 13.1641 13.1641 14.6397 14.6397 k = 0.1487 0.3690 0.7518 ( 2844 PWs) bands (ev): -31.4271 -31.4271 -31.4271 -31.4271 -12.5156 -12.5156 -12.5119 -12.5119 -11.1574 -11.1574 -11.1279 -11.1279 -11.0556 -11.0556 -11.0306 -11.0306 2.7957 2.7957 2.7958 2.7958 7.7639 7.7639 7.7997 7.7997 8.5098 8.5098 8.5138 8.5138 10.0578 10.0578 10.0899 10.0899 13.1598 13.1598 13.1780 13.1780 14.6523 14.6523 k = 0.1419 0.3523 0.7518 ( 2836 PWs) bands (ev): -31.4272 -31.4272 -31.4272 -31.4272 -12.5148 -12.5148 -12.5112 -12.5112 -11.1537 -11.1537 -11.1283 -11.1283 -11.0540 -11.0540 -11.0331 -11.0331 2.7923 2.7923 2.7930 2.7930 7.7655 7.7655 7.8004 7.8004 8.5208 8.5208 8.5252 8.5252 10.0245 10.0245 10.0556 10.0556 13.1772 13.1772 13.1968 13.1968 14.6584 14.6584 k = 0.1351 0.3355 0.7518 ( 2840 PWs) bands (ev): -31.4273 -31.4273 -31.4273 -31.4273 -12.5139 -12.5139 -12.5105 -12.5105 -11.1500 -11.1500 -11.1286 -11.1286 -11.0525 -11.0525 -11.0355 -11.0355 2.7891 2.7891 2.7903 2.7903 7.7658 7.7658 7.7997 7.7997 8.5323 8.5323 8.5370 8.5370 9.9921 9.9921 10.0221 10.0221 13.1989 13.1989 13.2200 13.2200 14.6585 14.6585 k = 0.1284 0.3187 0.7518 ( 2836 PWs) bands (ev): -31.4274 -31.4274 -31.4274 -31.4274 -12.5131 -12.5131 -12.5098 -12.5098 -11.1463 -11.1463 -11.1288 -11.1288 -11.0511 -11.0511 -11.0378 -11.0378 2.7862 2.7862 2.7879 2.7879 7.7651 7.7651 7.7976 7.7976 8.5441 8.5441 8.5487 8.5487 9.9609 9.9609 9.9896 9.9896 13.2243 13.2243 13.2468 13.2468 14.6534 14.6534 k = 0.1216 0.3019 0.7518 ( 2836 PWs) bands (ev): -31.4275 -31.4275 -31.4275 -31.4275 -12.5123 -12.5123 -12.5091 -12.5091 -11.1427 -11.1427 -11.1288 -11.1288 -11.0498 -11.0498 -11.0400 -11.0400 2.7835 2.7835 2.7856 2.7856 7.7636 7.7636 7.7945 7.7945 8.5557 8.5557 8.5603 8.5603 9.9310 9.9310 9.9585 9.9585 13.2527 13.2527 13.2768 13.2768 14.6437 14.6437 k = 0.1149 0.2852 0.7518 ( 2844 PWs) bands (ev): -31.4276 -31.4276 -31.4276 -31.4276 -12.5114 -12.5114 -12.5084 -12.5084 -11.1393 -11.1393 -11.1288 -11.1288 -11.0486 -11.0486 -11.0421 -11.0421 2.7809 2.7809 2.7834 2.7834 7.7615 7.7615 7.7907 7.7907 8.5670 8.5670 8.5714 8.5714 9.9029 9.9029 9.9289 9.9289 13.2836 13.2836 13.3092 13.3092 14.6300 14.6300 k = 0.1081 0.2684 0.7518 ( 2840 PWs) bands (ev): -31.4277 -31.4277 -31.4277 -31.4277 -12.5106 -12.5106 -12.5078 -12.5078 -11.1359 -11.1359 -11.1286 -11.1286 -11.0475 -11.0475 -11.0441 -11.0441 2.7786 2.7786 2.7813 2.7813 7.7589 7.7589 7.7863 7.7863 8.5778 8.5778 8.5819 8.5819 9.8766 9.8766 9.9010 9.9010 13.3165 13.3165 13.3436 13.3436 14.6129 14.6129 k = 0.1014 0.2516 0.7518 ( 2840 PWs) bands (ev): -31.4278 -31.4278 -31.4278 -31.4278 -12.5099 -12.5099 -12.5072 -12.5072 -11.1327 -11.1327 -11.1283 -11.1283 -11.0466 -11.0466 -11.0459 -11.0459 2.7764 2.7764 2.7794 2.7794 7.7561 7.7561 7.7816 7.7816 8.5878 8.5878 8.5916 8.5916 9.8523 9.8523 9.8751 9.8751 13.3509 13.3509 13.3793 13.3793 14.5929 14.5929 k = 0.0946 0.2348 0.7518 ( 2844 PWs) bands (ev): -31.4279 -31.4279 -31.4279 -31.4279 -12.5091 -12.5091 -12.5066 -12.5066 -11.1297 -11.1297 -11.1279 -11.1279 -11.0476 -11.0476 -11.0458 -11.0458 2.7744 2.7744 2.7776 2.7776 7.7530 7.7530 7.7766 7.7766 8.5970 8.5970 8.6005 8.6005 9.8300 9.8300 9.8512 9.8512 13.3861 13.3861 13.4157 13.4157 14.5704 14.5704 k = 0.0878 0.2181 0.7518 ( 2848 PWs) bands (ev): -31.4280 -31.4280 -31.4280 -31.4280 -12.5084 -12.5084 -12.5060 -12.5060 -11.1274 -11.1274 -11.1269 -11.1269 -11.0490 -11.0490 -11.0452 -11.0452 2.7726 2.7726 2.7759 2.7759 7.7500 7.7500 7.7716 7.7716 8.6054 8.6054 8.6084 8.6084 9.8098 9.8098 9.8293 9.8293 13.4219 13.4219 13.4525 13.4525 14.5457 14.5457 k = 0.0811 0.2013 0.7518 ( 2848 PWs) bands (ev): -31.4281 -31.4281 -31.4281 -31.4281 -12.5077 -12.5077 -12.5055 -12.5055 -11.1268 -11.1268 -11.1243 -11.1243 -11.0503 -11.0503 -11.0446 -11.0446 2.7709 2.7709 2.7743 2.7743 7.7470 7.7470 7.7666 7.7666 8.6128 8.6128 8.6154 8.6154 9.7917 9.7917 9.8095 9.8095 13.4577 13.4577 13.4890 13.4890 14.5194 14.5194 k = 0.0743 0.1845 0.7518 ( 2852 PWs) bands (ev): -31.4282 -31.4282 -31.4282 -31.4282 -12.5070 -12.5070 -12.5050 -12.5050 -11.1261 -11.1261 -11.1220 -11.1220 -11.0513 -11.0513 -11.0443 -11.0443 2.7694 2.7694 2.7727 2.7727 7.7441 7.7441 7.7618 7.7618 8.6193 8.6193 8.6216 8.6216 9.7756 9.7756 9.7918 9.7918 13.4931 13.4931 13.5249 13.5249 14.4917 14.4917 k = 0.0676 0.1677 0.7518 ( 2858 PWs) bands (ev): -31.4283 -31.4283 -31.4283 -31.4283 -12.5064 -12.5064 -12.5045 -12.5045 -11.1254 -11.1254 -11.1200 -11.1200 -11.0521 -11.0521 -11.0441 -11.0441 2.7681 2.7681 2.7713 2.7713 7.7413 7.7413 7.7572 7.7572 8.6248 8.6248 8.6268 8.6268 9.7615 9.7615 9.7760 9.7760 13.5278 13.5278 13.5598 13.5598 14.4631 14.4631 k = 0.0608 0.1510 0.7518 ( 2858 PWs) bands (ev): -31.4284 -31.4284 -31.4284 -31.4284 -12.5058 -12.5058 -12.5041 -12.5041 -11.1246 -11.1246 -11.1183 -11.1183 -11.0527 -11.0527 -11.0440 -11.0440 2.7669 2.7669 2.7700 2.7700 7.7388 7.7388 7.7528 7.7528 8.6295 8.6295 8.6312 8.6312 9.7492 9.7492 9.7622 9.7622 13.5616 13.5616 13.5933 13.5933 14.4341 14.4341 k = 0.0541 0.1342 0.7518 ( 2854 PWs) bands (ev): -31.4285 -31.4285 -31.4285 -31.4285 -12.5052 -12.5052 -12.5038 -12.5038 -11.1237 -11.1237 -11.1170 -11.1170 -11.0530 -11.0530 -11.0440 -11.0440 2.7658 2.7658 2.7687 2.7687 7.7366 7.7366 7.7488 7.7488 8.6334 8.6334 8.6348 8.6348 9.7388 9.7388 9.7501 9.7501 13.5940 13.5940 13.6250 13.6250 14.4051 14.4051 k = 0.0473 0.1174 0.7518 ( 2850 PWs) bands (ev): -31.4285 -31.4285 -31.4285 -31.4285 -12.5047 -12.5047 -12.5034 -12.5034 -11.1228 -11.1228 -11.1160 -11.1160 -11.0530 -11.0530 -11.0442 -11.0442 2.7649 2.7649 2.7676 2.7676 7.7346 7.7346 7.7451 7.7451 8.6366 8.6366 8.6377 8.6377 9.7300 9.7300 9.7398 9.7398 13.6249 13.6249 13.6546 13.6546 14.3769 14.3769 k = 0.0405 0.1006 0.7518 ( 2850 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5043 -12.5043 -12.5032 -12.5032 -11.1218 -11.1218 -11.1153 -11.1153 -11.0528 -11.0528 -11.0446 -11.0446 2.7642 2.7642 2.7666 2.7666 7.7330 7.7330 7.7418 7.7418 8.6392 8.6392 8.6401 8.6401 9.7227 9.7227 9.7310 9.7310 13.6538 13.6538 13.6816 13.6816 14.3500 14.3500 k = 0.0338 0.0839 0.7518 ( 2858 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5039 -12.5039 -12.5030 -12.5030 -11.1209 -11.1209 -11.1149 -11.1149 -11.0525 -11.0525 -11.0450 -11.0450 2.7636 2.7636 2.7656 2.7656 7.7317 7.7317 7.7389 7.7389 8.6412 8.6412 8.6419 8.6419 9.7168 9.7168 9.7237 9.7237 13.6804 13.6804 13.7056 13.7056 14.3254 14.3254 k = 0.0270 0.0671 0.7518 ( 2854 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5036 -12.5036 -12.5028 -12.5028 -11.1199 -11.1199 -11.1148 -11.1148 -11.0519 -11.0519 -11.0456 -11.0456 2.7632 2.7632 2.7648 2.7648 7.7307 7.7307 7.7364 7.7364 8.6427 8.6427 8.6432 8.6432 9.7123 9.7123 9.7178 9.7178 13.7042 13.7042 13.7260 13.7260 14.3039 14.3039 k = 0.0203 0.0503 0.7518 ( 2860 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5033 -12.5033 -12.5027 -12.5027 -11.1190 -11.1190 -11.1149 -11.1149 -11.0512 -11.0512 -11.0463 -11.0463 2.7629 2.7629 2.7641 2.7641 7.7301 7.7301 7.7343 7.7343 8.6439 8.6439 8.6442 8.6442 9.7090 9.7090 9.7131 9.7131 13.7246 13.7246 13.7421 13.7421 14.2864 14.2864 k = 0.0135 0.0335 0.7518 ( 2864 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5030 -12.5030 -12.5027 -12.5027 -11.1181 -11.1181 -11.1152 -11.1152 -11.0504 -11.0504 -11.0470 -11.0470 2.7627 2.7627 2.7636 2.7636 7.7298 7.7298 7.7326 7.7326 8.6446 8.6446 8.6448 8.6448 9.7069 9.7069 9.7096 9.7096 13.7410 13.7410 13.7533 13.7533 14.2740 14.2740 k = 0.0068 0.0168 0.7518 ( 2864 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5029 -12.5029 -12.5027 -12.5027 -11.1172 -11.1172 -11.1158 -11.1158 -11.0496 -11.0496 -11.0479 -11.0479 2.7627 2.7627 2.7632 2.7632 7.7299 7.7299 7.7313 7.7313 8.6451 8.6451 8.6452 8.6452 9.7060 9.7060 9.7073 9.7073 13.7525 13.7525 13.7589 13.7589 14.2674 14.2674 k = 0.0000 0.0000 0.7518 ( 2868 PWs) bands (ev): -31.4288 -31.4288 -31.4288 -31.4288 -12.5027 -12.5027 -12.5027 -12.5027 -11.1164 -11.1164 -11.1164 -11.1164 -11.0487 -11.0487 -11.0487 -11.0487 2.7629 2.7629 2.7629 2.7629 7.7304 7.7304 7.7304 7.7304 8.6453 8.6453 8.6453 8.6453 9.7061 9.7061 9.7061 9.7061 13.7586 13.7586 13.7586 13.7586 14.2672 14.2672 k = 0.0000 0.0000 0.7518 ( 2868 PWs) bands (ev): -31.4288 -31.4288 -31.4288 -31.4288 -12.5027 -12.5027 -12.5027 -12.5027 -11.1164 -11.1164 -11.1164 -11.1164 -11.0487 -11.0487 -11.0487 -11.0487 2.7629 2.7629 2.7629 2.7629 7.7304 7.7304 7.7304 7.7304 8.6453 8.6453 8.6453 8.6453 9.7061 9.7061 9.7061 9.7061 13.7586 13.7586 13.7586 13.7586 14.2672 14.2672 k = 0.0000 0.0000 0.7339 ( 2864 PWs) bands (ev): -31.4299 -31.4299 -31.4276 -31.4276 -12.5063 -12.5063 -12.4990 -12.4990 -11.1207 -11.1207 -11.1119 -11.1119 -11.0529 -11.0529 -11.0445 -11.0445 2.6592 2.6592 2.8677 2.8677 7.6451 7.6451 7.8173 7.8173 8.6129 8.6129 8.6800 8.6800 9.6541 9.6541 9.7596 9.7596 13.7297 13.7297 13.7792 13.7792 14.2201 14.2201 k = 0.0000 0.0000 0.7160 ( 2856 PWs) bands (ev): -31.4311 -31.4311 -31.4265 -31.4265 -12.5098 -12.5098 -12.4951 -12.4951 -11.1247 -11.1247 -11.1072 -11.1072 -11.0570 -11.0570 -11.0401 -11.0401 2.5568 2.5568 2.9736 2.9736 7.5616 7.5616 7.9051 7.9051 8.5829 8.5829 8.7171 8.7171 9.6039 9.6039 9.8143 9.8143 13.6940 13.6940 13.7896 13.7896 14.1705 14.1705 k = 0.0000 0.0000 0.6981 ( 2860 PWs) bands (ev): -31.4323 -31.4323 -31.4255 -31.4255 -12.5131 -12.5131 -12.4911 -12.4911 -11.1285 -11.1285 -11.1023 -11.1023 -11.0609 -11.0609 -11.0358 -11.0358 2.4558 2.4558 3.0804 3.0804 7.4804 7.4804 7.9934 7.9934 8.5551 8.5551 8.7566 8.7566 9.5559 9.5559 9.8701 9.8701 13.6529 13.6529 13.7882 13.7882 14.1193 14.1193 k = 0.0000 0.0000 0.6802 ( 2856 PWs) bands (ev): -31.4335 -31.4335 -31.4245 -31.4245 -12.5163 -12.5163 -12.4870 -12.4870 -11.1321 -11.1321 -11.0973 -11.0973 -11.0646 -11.0646 -11.0314 -11.0314 2.3565 2.3565 3.1878 3.1878 7.4018 7.4018 8.0815 8.0815 8.5295 8.5295 8.7986 8.7986 9.5105 9.5105 9.9269 9.9269 13.6076 13.6076 13.7734 13.7734 14.0671 14.0671 k = 0.0000 0.0000 0.6623 ( 2858 PWs) bands (ev): -31.4348 -31.4348 -31.4235 -31.4235 -12.5193 -12.5193 -12.4828 -12.4828 -11.1355 -11.1355 -11.0923 -11.0923 -11.0679 -11.0679 -11.0270 -11.0270 2.2587 2.2587 3.2955 3.2955 7.3261 7.3261 8.1684 8.1684 8.5060 8.5060 8.8431 8.8431 9.4686 9.4686 9.9845 9.9845 13.5590 13.5590 13.7440 13.7440 14.0147 14.0147 k = 0.0000 0.0000 0.6444 ( 2862 PWs) bands (ev): -31.4361 -31.4361 -31.4225 -31.4225 -12.5222 -12.5222 -12.4785 -12.4785 -11.1387 -11.1387 -11.0877 -11.0877 -11.0705 -11.0705 -11.0226 -11.0226 2.1627 2.1627 3.4034 3.4034 7.2538 7.2538 8.2529 8.2529 8.4847 8.4847 8.8901 8.8901 9.4310 9.4310 10.0427 10.0427 13.5081 13.5081 13.6998 13.6998 13.9625 13.9625 k = 0.0000 0.0000 0.6265 ( 2869 PWs) bands (ev): -31.4374 -31.4374 -31.4216 -31.4216 -12.5250 -12.5250 -12.4741 -12.4741 -11.1417 -11.1417 -11.0846 -11.0846 -11.0712 -11.0712 -11.0182 -11.0182 2.0686 2.0686 3.5111 3.5111 7.1852 7.1852 8.3333 8.3333 8.4655 8.4655 8.9397 8.9397 9.3994 9.3994 10.1016 10.1016 13.4556 13.4556 13.6411 13.6411 13.9109 13.9109 k = 0.0000 0.0000 0.6086 ( 2873 PWs) bands (ev): -31.4387 -31.4387 -31.4207 -31.4207 -12.5276 -12.5276 -12.4696 -12.4696 -11.1446 -11.1446 -11.0842 -11.0842 -11.0687 -11.0687 -11.0138 -11.0138 1.9763 1.9763 3.6182 3.6182 7.1207 7.1207 8.4065 8.4065 8.4493 8.4493 8.9919 8.9919 9.3757 9.3757 10.1609 10.1609 13.4021 13.4021 13.5693 13.5693 13.8605 13.8605 k = 0.0000 0.0000 0.5907 ( 2871 PWs) bands (ev): -31.4400 -31.4400 -31.4199 -31.4199 -12.5301 -12.5301 -12.4650 -12.4650 -11.1474 -11.1474 -11.0858 -11.0858 -11.0639 -11.0639 -11.0093 -11.0093 1.8860 1.8860 3.7244 3.7244 7.0608 7.0608 8.4298 8.4298 8.4762 8.4762 9.0466 9.0466 9.3624 9.3624 10.2205 10.2205 13.3483 13.3483 13.4862 13.4862 13.8115 13.8115 k = 0.0000 0.0000 0.5728 ( 2873 PWs) bands (ev): -31.4414 -31.4414 -31.4191 -31.4191 -12.5325 -12.5325 -12.4604 -12.4604 -11.1502 -11.1502 -11.0879 -11.0879 -11.0582 -11.0582 -11.0048 -11.0048 1.7978 1.7978 3.8290 3.8290 7.0060 7.0060 8.4169 8.4169 8.5290 8.5290 9.1039 9.1039 9.3624 9.3624 10.2802 10.2802 13.2945 13.2945 13.3939 13.3939 13.7642 13.7642 k = 0.0000 0.0000 0.5549 ( 2867 PWs) bands (ev): -31.4427 -31.4427 -31.4184 -31.4184 -12.5347 -12.5347 -12.4557 -12.4557 -11.1529 -11.1529 -11.0899 -11.0899 -11.0520 -11.0520 -11.0003 -11.0003 1.7116 1.7116 3.9317 3.9317 6.9569 6.9569 8.4049 8.4049 8.5680 8.5680 9.1637 9.1637 9.3784 9.3784 10.3398 10.3398 13.2415 13.2415 13.2948 13.2948 13.7189 13.7189 k = 0.0000 0.0000 0.5370 ( 2859 PWs) bands (ev): -31.4441 -31.4441 -31.4176 -31.4176 -12.5368 -12.5368 -12.4510 -12.4510 -11.1555 -11.1555 -11.0918 -11.0918 -11.0457 -11.0457 -10.9958 -10.9958 1.6277 1.6277 4.0316 4.0316 6.9142 6.9142 8.3943 8.3943 8.5910 8.5910 9.2262 9.2262 9.4116 9.4116 10.3990 10.3990 13.1885 13.1885 13.1920 13.1920 13.6756 13.6756 k = 0.0000 0.0000 0.5191 ( 2859 PWs) bands (ev): -31.4454 -31.4454 -31.4170 -31.4170 -12.5387 -12.5387 -12.4463 -12.4463 -11.1583 -11.1583 -11.0933 -11.0933 -11.0393 -11.0393 -10.9911 -10.9911 1.5459 1.5459 4.1282 4.1282 6.8785 6.8785 8.3851 8.3851 8.5984 8.5984 9.2912 9.2912 9.4613 9.4613 10.4575 10.4575 13.0843 13.0843 13.1393 13.1393 13.6346 13.6346 k = 0.0000 0.0000 0.5012 ( 2867 PWs) bands (ev): -31.4468 -31.4468 -31.4163 -31.4163 -12.5406 -12.5406 -12.4416 -12.4416 -11.1610 -11.1610 -11.0945 -11.0945 -11.0329 -11.0329 -10.9864 -10.9864 1.4663 1.4663 4.2205 4.2205 6.8507 6.8507 8.3773 8.3773 8.5924 8.5924 9.3588 9.3588 9.5250 9.5250 10.5150 10.5150 12.9769 12.9769 13.0911 13.0911 13.5959 13.5959 k = 0.0000 0.0000 0.4833 ( 2867 PWs) bands (ev): -31.4481 -31.4481 -31.4157 -31.4157 -12.5424 -12.5424 -12.4369 -12.4369 -11.1638 -11.1638 -11.0953 -11.0953 -11.0266 -11.0266 -10.9815 -10.9815 1.3891 1.3891 4.3078 4.3078 6.8317 6.8317 8.3708 8.3708 8.5760 8.5760 9.4289 9.4289 9.5996 9.5996 10.5707 10.5707 12.8701 12.8701 13.0454 13.0454 13.5596 13.5596 k = 0.0000 0.0000 0.4654 ( 2871 PWs) bands (ev): -31.4495 -31.4495 -31.4152 -31.4152 -12.5440 -12.5440 -12.4322 -12.4322 -11.1667 -11.1667 -11.0957 -11.0957 -11.0205 -11.0205 -10.9765 -10.9765 1.3143 1.3143 4.3892 4.3892 6.8221 6.8221 8.3656 8.3656 8.5518 8.5518 9.5015 9.5015 9.6820 9.6820 10.6242 10.6242 12.7655 12.7655 13.0027 13.0027 13.5259 13.5259 k = 0.0000 0.0000 0.4475 ( 2873 PWs) bands (ev): -31.4508 -31.4508 -31.4146 -31.4146 -12.5456 -12.5456 -12.4276 -12.4276 -11.1696 -11.1696 -11.0958 -11.0958 -11.0146 -11.0146 -10.9712 -10.9712 1.2418 1.2418 4.4638 4.4638 6.8230 6.8230 8.3614 8.3614 8.5223 8.5223 9.5765 9.5765 9.7695 9.7695 10.6746 10.6746 12.6646 12.6646 12.9637 12.9637 13.4947 13.4947 k = 0.0000 0.0000 0.4296 ( 2865 PWs) bands (ev): -31.4521 -31.4521 -31.4141 -31.4141 -12.5470 -12.5470 -12.4230 -12.4230 -11.1726 -11.1726 -11.0955 -11.0955 -11.0090 -11.0090 -10.9657 -10.9657 1.1718 1.1718 4.5309 4.5309 6.8350 6.8350 8.3582 8.3582 8.4891 8.4891 9.6540 9.6540 9.8602 9.8602 10.7209 10.7209 12.5690 12.5690 12.9287 12.9287 13.4660 13.4660 k = 0.0000 0.0000 0.4117 ( 2865 PWs) bands (ev): -31.4534 -31.4534 -31.4137 -31.4137 -12.5484 -12.5484 -12.4185 -12.4185 -11.1756 -11.1756 -11.0948 -11.0948 -11.0037 -11.0037 -10.9600 -10.9600 1.1042 1.1042 4.5899 4.5899 6.8586 6.8586 8.3557 8.3557 8.4535 8.4535 9.7337 9.7337 9.9523 9.9523 10.7618 10.7618 12.4802 12.4802 12.8984 12.8984 13.4400 13.4400 k = 0.0000 0.0000 0.3938 ( 2867 PWs) bands (ev): -31.4547 -31.4547 -31.4132 -31.4132 -12.5496 -12.5496 -12.4140 -12.4140 -11.1787 -11.1787 -11.0938 -11.0938 -10.9988 -10.9988 -10.9540 -10.9540 1.0392 1.0392 4.6403 4.6403 6.8942 6.8942 8.3538 8.3538 8.4169 8.4169 9.8158 9.8158 10.0445 10.0445 10.7959 10.7959 12.4000 12.4000 12.8733 12.8733 13.4165 13.4165 k = 0.0000 0.0000 0.3759 ( 2867 PWs) bands (ev): -31.4559 -31.4559 -31.4128 -31.4128 -12.5508 -12.5508 -12.4097 -12.4097 -11.1817 -11.1817 -11.0926 -11.0926 -10.9943 -10.9943 -10.9478 -10.9478 0.9768 0.9768 4.6822 4.6822 6.9418 6.9418 8.3508 8.3508 8.3812 8.3812 9.9000 9.9000 10.1355 10.1355 10.8216 10.8216 12.3300 12.3300 12.8541 12.8541 13.3955 13.3955 k = 0.0000 0.0000 0.3580 ( 2869 PWs) bands (ev): -31.4571 -31.4571 -31.4125 -31.4125 -12.5519 -12.5519 -12.4055 -12.4055 -11.1848 -11.1848 -11.0910 -11.0910 -10.9901 -10.9901 -10.9414 -10.9414 0.9169 0.9169 4.7157 4.7157 7.0010 7.0010 8.3333 8.3333 8.3605 8.3605 9.9863 9.9863 10.2244 10.2244 10.8371 10.8371 12.2719 12.2719 12.8412 12.8412 13.3771 13.3771 k = 0.0000 0.0000 0.3401 ( 2873 PWs) bands (ev): -31.4583 -31.4583 -31.4121 -31.4121 -12.5530 -12.5530 -12.4014 -12.4014 -11.1878 -11.1878 -11.0893 -11.0893 -10.9864 -10.9864 -10.9349 -10.9349 0.8597 0.8597 4.7414 4.7414 7.0713 7.0713 8.2982 8.2982 8.3580 8.3580 10.0746 10.0746 10.3100 10.3100 10.8409 10.8409 12.2274 12.2274 12.8355 12.8355 13.3610 13.3610 k = 0.0000 0.0000 0.3222 ( 2873 PWs) bands (ev): -31.4594 -31.4594 -31.4118 -31.4118 -12.5540 -12.5540 -12.3974 -12.3974 -11.1907 -11.1907 -11.0874 -11.0874 -10.9829 -10.9829 -10.9284 -10.9284 0.8052 0.8052 4.7599 4.7599 7.1520 7.1520 8.2612 8.2612 8.3585 8.3585 10.1647 10.1647 10.3916 10.3916 10.8320 10.8320 12.1971 12.1971 12.8373 12.8373 13.3472 13.3472 k = 0.0000 0.0000 0.3043 ( 2873 PWs) bands (ev): -31.4605 -31.4605 -31.4115 -31.4115 -12.5549 -12.5549 -12.3936 -12.3936 -11.1936 -11.1936 -11.0854 -11.0854 -10.9797 -10.9797 -10.9218 -10.9218 0.7534 0.7534 4.7721 4.7721 7.2419 7.2419 8.2245 8.2245 8.3598 8.3598 10.2564 10.2564 10.4684 10.4684 10.8100 10.8100 12.1812 12.1812 12.8472 12.8472 13.3357 13.3357 k = 0.0000 0.0000 0.2864 ( 2869 PWs) bands (ev): -31.4616 -31.4616 -31.4113 -31.4113 -12.5557 -12.5557 -12.3899 -12.3899 -11.1964 -11.1964 -11.0832 -11.0832 -10.9768 -10.9768 -10.9153 -10.9153 0.7044 0.7044 4.7790 4.7790 7.3401 7.3401 8.1887 8.1887 8.3616 8.3616 10.3495 10.3495 10.5397 10.5397 10.7754 10.7754 12.1788 12.1788 12.8654 12.8654 13.3263 13.3263 k = 0.0000 0.0000 0.2685 ( 2877 PWs) bands (ev): -31.4626 -31.4626 -31.4111 -31.4111 -12.5565 -12.5565 -12.3864 -12.3864 -11.1991 -11.1991 -11.0810 -11.0810 -10.9742 -10.9742 -10.9089 -10.9089 0.6581 0.6581 4.7814 4.7814 7.4455 7.4455 8.1541 8.1541 8.3638 8.3638 10.4437 10.4437 10.6050 10.6050 10.7294 10.7294 12.1884 12.1884 12.8923 12.8923 13.3189 13.3189 k = 0.0000 0.0000 0.2506 ( 2881 PWs) bands (ev): -31.4635 -31.4635 -31.4108 -31.4108 -12.5573 -12.5573 -12.3831 -12.3831 -11.2017 -11.2017 -11.0788 -11.0788 -10.9718 -10.9718 -10.9027 -10.9027 0.6147 0.6147 4.7802 4.7802 7.5570 7.5570 8.1209 8.1209 8.3661 8.3661 10.5385 10.5385 10.6640 10.6640 10.6737 10.6737 12.2080 12.2080 12.9277 12.9277 13.3133 13.3133 k = 0.0000 0.0000 0.2327 ( 2881 PWs) bands (ev): -31.4644 -31.4644 -31.4106 -31.4106 -12.5579 -12.5579 -12.3800 -12.3800 -11.2042 -11.2042 -11.0765 -11.0765 -10.9696 -10.9696 -10.8967 -10.8967 0.5741 0.5741 4.7763 4.7763 7.6736 7.6736 8.0894 8.0894 8.3686 8.3686 10.6061 10.6061 10.6370 10.6370 10.7169 10.7169 12.2352 12.2352 12.9714 12.9714 13.3093 13.3093 k = 0.0000 0.0000 0.2148 ( 2881 PWs) bands (ev): -31.4653 -31.4653 -31.4105 -31.4105 -12.5586 -12.5586 -12.3771 -12.3771 -11.2065 -11.2065 -11.0743 -11.0743 -10.9676 -10.9676 -10.8910 -10.8910 0.5364 0.5364 4.7703 4.7703 7.7942 7.7942 8.0598 8.0598 8.3712 8.3712 10.5372 10.5372 10.7279 10.7279 10.7656 10.7656 12.2681 12.2681 13.0228 13.0228 13.3068 13.3068 k = 0.0000 0.0000 0.1969 ( 2877 PWs) bands (ev): -31.4661 -31.4661 -31.4103 -31.4103 -12.5591 -12.5591 -12.3743 -12.3743 -11.2087 -11.2087 -11.0721 -11.0721 -10.9658 -10.9658 -10.8856 -10.8856 0.5016 0.5016 4.7629 4.7629 7.9174 7.9174 8.0328 8.0328 8.3738 8.3738 10.4605 10.4605 10.7948 10.7948 10.8336 10.8336 12.3048 12.3048 13.0811 13.0811 13.3056 13.3056 k = 0.0000 0.0000 0.1790 ( 2877 PWs) bands (ev): -31.4668 -31.4668 -31.4102 -31.4102 -12.5597 -12.5597 -12.3718 -12.3718 -11.2107 -11.2107 -11.0700 -11.0700 -10.9642 -10.9642 -10.8805 -10.8805 0.4697 0.4697 4.7547 4.7547 8.0003 8.0003 8.0506 8.0506 8.3764 8.3764 10.3789 10.3789 10.8313 10.8313 10.9253 10.9253 12.3434 12.3434 13.1452 13.1452 13.3054 13.3054 k = 0.0000 0.0000 0.1611 ( 2877 PWs) bands (ev): -31.4675 -31.4675 -31.4101 -31.4101 -12.5601 -12.5601 -12.3695 -12.3695 -11.2125 -11.2125 -11.0680 -11.0680 -10.9628 -10.9628 -10.8758 -10.8758 0.4408 0.4408 4.7460 4.7460 7.9799 7.9799 8.1754 8.1754 8.3790 8.3790 10.2931 10.2931 10.8600 10.8600 11.0177 11.0177 12.3827 12.3827 13.2137 13.2137 13.3062 13.3062 k = 0.0000 0.0000 0.1432 ( 2877 PWs) bands (ev): -31.4681 -31.4681 -31.4100 -31.4100 -12.5605 -12.5605 -12.3675 -12.3675 -11.2142 -11.2142 -11.0662 -11.0662 -10.9615 -10.9615 -10.8715 -10.8715 0.4148 0.4148 4.7374 4.7374 7.9588 7.9588 8.3040 8.3040 8.3817 8.3817 10.2037 10.2037 10.8835 10.8835 11.1079 11.1079 12.4213 12.4213 13.2849 13.2849 13.3077 13.3077 k = 0.0000 0.0000 0.1253 ( 2877 PWs) bands (ev): -31.4686 -31.4686 -31.4099 -31.4099 -12.5609 -12.5609 -12.3656 -12.3656 -11.2157 -11.2157 -11.0645 -11.0645 -10.9604 -10.9604 -10.8676 -10.8676 0.3919 0.3919 4.7290 4.7290 7.9396 7.9396 8.3821 8.3821 8.4352 8.4352 10.1110 10.1110 10.9024 10.9024 11.1944 11.1944 12.4581 12.4581 13.3091 13.3091 13.3580 13.3580 k = 0.0000 0.0000 0.1074 ( 2877 PWs) bands (ev): -31.4691 -31.4691 -31.4098 -31.4098 -12.5612 -12.5612 -12.3640 -12.3640 -11.2170 -11.2170 -11.0630 -11.0630 -10.9594 -10.9594 -10.8642 -10.8642 0.3720 0.3720 4.7213 4.7213 7.9228 7.9228 8.3847 8.3847 8.5635 8.5635 10.0152 10.0152 10.9176 10.9176 11.2757 11.2757 12.4920 12.4920 13.3112 13.3112 13.4296 13.4296 k = 0.0000 0.0000 0.0895 ( 2873 PWs) bands (ev): -31.4695 -31.4695 -31.4097 -31.4097 -12.5615 -12.5615 -12.3627 -12.3627 -11.2181 -11.2181 -11.0617 -11.0617 -10.9586 -10.9586 -10.8613 -10.8613 0.3551 0.3551 4.7145 4.7145 7.9084 7.9084 8.3865 8.3865 8.6911 8.6911 9.9169 9.9169 10.9295 10.9295 11.3500 11.3500 12.5223 12.5223 13.3133 13.3133 13.4977 13.4977 k = 0.0000 0.0000 0.0716 ( 2877 PWs) bands (ev): -31.4698 -31.4698 -31.4097 -31.4097 -12.5617 -12.5617 -12.3616 -12.3616 -11.2190 -11.2190 -11.0607 -11.0607 -10.9580 -10.9580 -10.8589 -10.8589 0.3413 0.3413 4.7086 4.7086 7.8966 7.8966 8.3879 8.3879 8.8162 8.8162 9.8165 9.8165 10.9386 10.9386 11.4155 11.4155 12.5482 12.5482 13.3153 13.3153 13.5313 13.5313 k = 0.0000 0.0000 0.0537 ( 2875 PWs) bands (ev): -31.4700 -31.4700 -31.4096 -31.4096 -12.5619 -12.5619 -12.3607 -12.3607 -11.2198 -11.2198 -11.0598 -11.0598 -10.9575 -10.9575 -10.8570 -10.8570 0.3305 0.3305 4.7039 4.7039 7.8873 7.8873 8.3891 8.3891 8.9371 8.9371 9.7154 9.7154 10.9453 10.9453 11.4697 11.4697 12.5691 12.5691 13.3170 13.3170 13.5027 13.5027 k = 0.0000 0.0000 0.0358 ( 2875 PWs) bands (ev): -31.4702 -31.4702 -31.4096 -31.4096 -12.5620 -12.5620 -12.3601 -12.3601 -11.2203 -11.2203 -11.0592 -11.0592 -10.9571 -10.9571 -10.8556 -10.8556 0.3228 0.3228 4.7005 4.7005 7.8807 7.8807 8.3899 8.3899 9.0499 9.0499 9.6170 9.6170 10.9498 10.9498 11.5106 11.5106 12.5843 12.5843 13.3184 13.3184 13.4776 13.4776 k = 0.0000 0.0000 0.0179 ( 2875 PWs) bands (ev): -31.4703 -31.4703 -31.4096 -31.4096 -12.5621 -12.5621 -12.3597 -12.3597 -11.2206 -11.2206 -11.0588 -11.0588 -10.9569 -10.9569 -10.8548 -10.8548 0.3182 0.3182 4.6984 4.6984 7.8767 7.8767 8.3904 8.3904 9.1441 9.1441 9.5316 9.5316 10.9525 10.9525 11.5360 11.5360 12.5937 12.5937 13.3192 13.3192 13.4611 13.4611 k = 0.0000 0.0000 0.0000 ( 2871 PWs) bands (ev): -31.4704 -31.4704 -31.4096 -31.4096 -12.5621 -12.5621 -12.3596 -12.3596 -11.2207 -11.2207 -11.0587 -11.0587 -10.9568 -10.9568 -10.8545 -10.8545 0.3166 0.3166 4.6977 4.6977 7.8753 7.8753 8.3905 8.3905 9.1870 9.1870 9.4917 9.4917 10.9534 10.9534 11.5447 11.5447 12.5968 12.5968 13.3195 13.3195 13.4554 13.4554 k = 0.0000 0.0000 0.0000 ( 2871 PWs) bands (ev): -31.4704 -31.4704 -31.4096 -31.4096 -12.5621 -12.5621 -12.3596 -12.3596 -11.2207 -11.2207 -11.0587 -11.0587 -10.9568 -10.9568 -10.8545 -10.8545 0.3166 0.3166 4.6977 4.6977 7.8753 7.8753 8.3905 8.3905 9.1870 9.1870 9.4917 9.4917 10.9534 10.9534 11.5447 11.5447 12.5968 12.5968 13.3195 13.3195 13.4554 13.4554 k =-0.0167 0.0067-0.0000 ( 2877 PWs) bands (ev): -31.4703 -31.4703 -31.4096 -31.4096 -12.5620 -12.5620 -12.3597 -12.3597 -11.2205 -11.2205 -11.0587 -11.0587 -10.9569 -10.9569 -10.8547 -10.8547 0.3176 0.3176 4.6957 4.6957 7.8776 7.8776 8.3911 8.3911 9.1864 9.1864 9.4929 9.4929 10.9498 10.9498 11.5457 11.5457 12.5974 12.5974 13.3045 13.3045 13.4712 13.4712 k =-0.0333 0.0134-0.0000 ( 2887 PWs) bands (ev): -31.4702 -31.4702 -31.4097 -31.4097 -12.5616 -12.5616 -12.3601 -12.3601 -11.2200 -11.2200 -11.0586 -11.0586 -10.9570 -10.9570 -10.8553 -10.8553 0.3205 0.3205 4.6896 4.6896 7.8843 7.8843 8.3929 8.3929 9.1844 9.1844 9.4966 9.4966 10.9392 10.9392 11.5487 11.5487 12.5994 12.5994 13.2709 13.2709 13.5070 13.5070 k =-0.0500 0.0201-0.0000 ( 2887 PWs) bands (ev): -31.4700 -31.4700 -31.4099 -31.4099 -12.5610 -12.5610 -12.3608 -12.3608 -11.2191 -11.2191 -11.0585 -11.0585 -10.9573 -10.9573 -10.8563 -10.8563 0.3253 0.3253 4.6796 4.6796 7.8954 7.8954 8.3959 8.3959 9.1813 9.1813 9.5025 9.5025 10.9221 10.9221 11.5537 11.5537 12.6027 12.6027 13.2312 13.2312 13.5505 13.5505 k =-0.0667 0.0269-0.0000 ( 2889 PWs) bands (ev): -31.4698 -31.4698 -31.4102 -31.4102 -12.5601 -12.5601 -12.3618 -12.3618 -11.2178 -11.2178 -11.0583 -11.0583 -10.9577 -10.9577 -10.8577 -10.8577 0.3320 0.3320 4.6658 4.6658 7.9107 7.9107 8.4000 8.4000 9.1769 9.1769 9.5104 9.5104 10.8993 10.8993 11.5606 11.5606 12.6075 12.6075 13.1897 13.1897 13.5970 13.5970 k =-0.0833 0.0336-0.0000 ( 2889 PWs) bands (ev): -31.4694 -31.4694 -31.4106 -31.4106 -12.5590 -12.5590 -12.3631 -12.3631 -11.2162 -11.2162 -11.0582 -11.0582 -10.9581 -10.9581 -10.8595 -10.8595 0.3405 0.3405 4.6484 4.6484 7.9300 7.9300 8.4053 8.4053 9.1714 9.1714 9.5199 9.5199 10.8717 10.8717 11.5695 11.5695 12.6139 12.6139 13.1481 13.1481 13.6419 13.6419 k =-0.1000 0.0403-0.0000 ( 2897 PWs) bands (ev): -31.4690 -31.4690 -31.4110 -31.4110 -12.5576 -12.5576 -12.3646 -12.3646 -11.2143 -11.2143 -11.0580 -11.0580 -10.9587 -10.9587 -10.8616 -10.8616 0.3508 0.3508 4.6277 4.6277 7.9531 7.9531 8.4116 8.4116 9.1648 9.1648 9.5305 9.5305 10.8407 10.8407 11.5804 11.5804 12.6219 12.6219 13.1069 13.1069 13.5992 13.5992 k =-0.1167 0.0470-0.0000 ( 2901 PWs) bands (ev): -31.4685 -31.4685 -31.4115 -31.4115 -12.5560 -12.5560 -12.3664 -12.3664 -11.2120 -11.2120 -11.0577 -11.0577 -10.9593 -10.9593 -10.8641 -10.8641 0.3627 0.3627 4.6040 4.6040 7.9796 7.9796 8.4190 8.4190 9.1572 9.1572 9.5414 9.5414 10.8075 10.8075 11.5931 11.5931 12.6318 12.6318 13.0666 13.0666 13.5191 13.5191 k =-0.1333 0.0537-0.0000 ( 2893 PWs) bands (ev): -31.4679 -31.4679 -31.4121 -31.4121 -12.5541 -12.5541 -12.3684 -12.3684 -11.2094 -11.2094 -11.0574 -11.0574 -10.9601 -10.9601 -10.8668 -10.8668 0.3762 0.3762 4.5776 4.5776 8.0094 8.0094 8.4274 8.4274 9.1487 9.1487 9.5521 9.5521 10.7734 10.7734 11.6077 11.6077 12.6437 12.6437 13.0275 13.0275 13.4338 13.4338 k =-0.1500 0.0604-0.0000 ( 2889 PWs) bands (ev): -31.4672 -31.4672 -31.4128 -31.4128 -12.5520 -12.5520 -12.3707 -12.3707 -11.2064 -11.2064 -11.0572 -11.0572 -10.9610 -10.9610 -10.8699 -10.8699 0.3912 0.3912 4.5488 4.5488 8.0419 8.0419 8.4367 8.4367 9.1395 9.1395 9.5617 9.5617 10.7399 10.7399 11.6242 11.6242 12.6575 12.6575 12.9896 12.9896 13.3458 13.3458 k =-0.1667 0.0671-0.0000 ( 2901 PWs) bands (ev): -31.4665 -31.4665 -31.4135 -31.4135 -12.5497 -12.5497 -12.3732 -12.3732 -11.2032 -11.2032 -11.0569 -11.0569 -10.9619 -10.9619 -10.8733 -10.8733 0.4075 0.4075 4.5180 4.5180 8.0769 8.0769 8.4468 8.4468 9.1296 9.1296 9.5694 9.5694 10.7080 10.7080 11.6423 11.6423 12.6735 12.6735 12.9530 12.9530 13.2572 13.2572 k =-0.1833 0.0739-0.0000 ( 2897 PWs) bands (ev): -31.4657 -31.4657 -31.4143 -31.4143 -12.5472 -12.5472 -12.3760 -12.3760 -11.1996 -11.1996 -11.0566 -11.0566 -10.9630 -10.9630 -10.8769 -10.8769 0.4250 0.4250 4.4856 4.4856 8.1139 8.1139 8.4576 8.4576 9.1192 9.1192 9.5746 9.5746 10.6788 10.6788 11.6621 11.6621 12.6915 12.6915 12.9179 12.9179 13.1701 13.1701 k =-0.2000 0.0806-0.0000 ( 2895 PWs) bands (ev): -31.4649 -31.4649 -31.4151 -31.4151 -12.5444 -12.5444 -12.3789 -12.3789 -11.1957 -11.1957 -11.0564 -11.0564 -10.9642 -10.9642 -10.8806 -10.8806 0.4435 0.4435 4.4520 4.4520 8.1526 8.1526 8.4691 8.4691 9.1084 9.1084 9.5767 9.5767 10.6528 10.6528 11.6835 11.6835 12.7115 12.7115 12.8843 12.8843 13.0862 13.0862 k =-0.2167 0.0873 0.0000 ( 2887 PWs) bands (ev): -31.4640 -31.4640 -31.4161 -31.4161 -12.5415 -12.5415 -12.3821 -12.3821 -11.1916 -11.1916 -11.0562 -11.0562 -10.9655 -10.9655 -10.8846 -10.8846 0.4629 0.4629 4.4175 4.4175 8.1925 8.1925 8.4811 8.4811 9.0973 9.0973 9.5755 9.5755 10.6303 10.6303 11.7064 11.7064 12.7333 12.7333 12.8525 12.8525 13.0075 13.0075 k =-0.2333 0.0940 0.0000 ( 2891 PWs) bands (ev): -31.4630 -31.4630 -31.4170 -31.4170 -12.5384 -12.5384 -12.3855 -12.3855 -11.1873 -11.1873 -11.0561 -11.0561 -10.9669 -10.9669 -10.8887 -10.8887 0.4830 0.4830 4.3824 4.3824 8.2332 8.2332 8.4935 8.4935 9.0860 9.0860 9.5711 9.5711 10.6109 10.6109 11.7308 11.7308 12.7561 12.7561 12.8227 12.8227 12.9362 12.9362 k =-0.2500 0.1007-0.0000 ( 2891 PWs) bands (ev): -31.4620 -31.4620 -31.4181 -31.4181 -12.5351 -12.5351 -12.3890 -12.3890 -11.1826 -11.1826 -11.0560 -11.0560 -10.9683 -10.9683 -10.8928 -10.8928 0.5035 0.5035 4.3472 4.3472 8.2742 8.2742 8.5062 8.5062 9.0747 9.0747 9.5639 9.5639 10.5938 10.5938 11.7564 11.7564 12.7752 12.7752 12.7979 12.7979 12.8754 12.8754 k =-0.2667 0.1074-0.0000 ( 2891 PWs) bands (ev): -31.4609 -31.4609 -31.4192 -31.4192 -12.5316 -12.5316 -12.3928 -12.3928 -11.1778 -11.1778 -11.0560 -11.0560 -10.9699 -10.9699 -10.8969 -10.8969 0.5244 0.5244 4.3122 4.3122 8.3149 8.3149 8.5191 8.5191 9.0635 9.0635 9.5548 9.5548 10.5778 10.5778 11.7832 11.7832 12.7625 12.7625 12.7926 12.7926 12.8403 12.8403 k =-0.2833 0.1141-0.0000 ( 2889 PWs) bands (ev): -31.4598 -31.4598 -31.4203 -31.4203 -12.5279 -12.5279 -12.3966 -12.3966 -11.1728 -11.1728 -11.0562 -11.0562 -10.9716 -10.9716 -10.9010 -10.9010 0.5452 0.5452 4.2777 4.2777 8.3547 8.3547 8.5321 8.5321 9.0525 9.0525 9.5448 9.5448 10.5614 10.5614 11.8111 11.8111 12.7382 12.7382 12.7645 12.7645 12.8542 12.8542 k =-0.3000 0.1208-0.0000 ( 2887 PWs) bands (ev): -31.4586 -31.4586 -31.4214 -31.4214 -12.5242 -12.5242 -12.4006 -12.4006 -11.1676 -11.1676 -11.0564 -11.0564 -10.9734 -10.9734 -10.9050 -10.9050 0.5659 0.5659 4.2441 4.2441 8.3931 8.3931 8.5449 8.5449 9.0419 9.0419 9.5354 9.5354 10.5432 10.5432 11.8399 11.8399 12.7145 12.7145 12.7370 12.7370 12.8822 12.8822 k =-0.3167 0.1276 0.0000 ( 2883 PWs) bands (ev): -31.4574 -31.4574 -31.4226 -31.4226 -12.5203 -12.5203 -12.4047 -12.4047 -11.1623 -11.1623 -11.0569 -11.0569 -10.9753 -10.9753 -10.9089 -10.9089 0.5862 0.5862 4.2117 4.2117 8.4295 8.4295 8.5575 8.5575 9.0316 9.0316 9.5276 9.5276 10.5219 10.5219 11.8694 11.8694 12.6924 12.6924 12.7206 12.7206 12.9131 12.9131 k =-0.3333 0.1343-0.0000 ( 2883 PWs) bands (ev): -31.4562 -31.4562 -31.4239 -31.4239 -12.5163 -12.5163 -12.4089 -12.4089 -11.1569 -11.1569 -11.0575 -11.0575 -10.9772 -10.9772 -10.9125 -10.9125 0.6057 0.6057 4.1809 4.1809 8.4632 8.4632 8.5696 8.5696 9.0220 9.0220 9.5227 9.5227 10.4967 10.4967 11.8995 11.8995 12.6724 12.6724 12.7165 12.7165 12.9451 12.9451 k =-0.3500 0.1410-0.0000 ( 2877 PWs) bands (ev): -31.4549 -31.4549 -31.4251 -31.4251 -12.5123 -12.5123 -12.4132 -12.4132 -11.1515 -11.1515 -11.0584 -11.0584 -10.9792 -10.9792 -10.9159 -10.9159 0.6244 0.6244 4.1519 4.1519 8.4936 8.4936 8.5811 8.5811 9.0129 9.0129 9.5218 9.5218 10.4670 10.4670 11.9300 11.9300 12.6544 12.6544 12.7247 12.7247 12.9747 12.9747 k =-0.3667 0.1477 0.0000 ( 2861 PWs) bands (ev): -31.4536 -31.4536 -31.4264 -31.4264 -12.5081 -12.5081 -12.4175 -12.4175 -11.1460 -11.1460 -11.0595 -11.0595 -10.9811 -10.9811 -10.9191 -10.9191 0.6419 0.6419 4.1251 4.1251 8.5204 8.5204 8.5919 8.5919 9.0046 9.0046 9.5254 9.5254 10.4331 10.4331 11.9605 11.9605 12.6381 12.6381 12.7442 12.7442 12.9335 12.9335 k =-0.3833 0.1544-0.0000 ( 2867 PWs) bands (ev): -31.4524 -31.4524 -31.4276 -31.4276 -12.5041 -12.5041 -12.4217 -12.4217 -11.1407 -11.1407 -11.0609 -11.0609 -10.9831 -10.9831 -10.9218 -10.9218 0.6580 0.6580 4.1007 4.1007 8.5433 8.5433 8.6018 8.6018 8.9971 8.9971 9.5340 9.5340 10.3956 10.3956 11.9907 11.9907 12.6238 12.6238 12.7730 12.7730 12.8786 12.8786 k =-0.4000 0.1611-0.0000 ( 2857 PWs) bands (ev): -31.4511 -31.4511 -31.4289 -31.4289 -12.5000 -12.5000 -12.4259 -12.4259 -11.1354 -11.1354 -11.0625 -11.0625 -10.9848 -10.9848 -10.9243 -10.9243 0.6725 0.6725 4.0789 4.0789 8.5623 8.5623 8.6105 8.6105 8.9904 8.9904 9.5473 9.5473 10.3556 10.3556 12.0202 12.0202 12.6113 12.6113 12.8016 12.8016 12.8354 12.8354 k =-0.4167 0.1678-0.0000 ( 2861 PWs) bands (ev): -31.4500 -31.4500 -31.4301 -31.4301 -12.4961 -12.4961 -12.4299 -12.4299 -11.1305 -11.1305 -11.0643 -11.0643 -10.9865 -10.9865 -10.9264 -10.9264 0.6852 0.6852 4.0601 4.0601 8.5776 8.5776 8.6180 8.6180 8.9847 8.9847 9.5645 9.5645 10.3147 10.3147 12.0482 12.0482 12.6007 12.6007 12.7731 12.7731 12.8590 12.8590 k =-0.4333 0.1746-0.0000 ( 2862 PWs) bands (ev): -31.4488 -31.4488 -31.4312 -31.4312 -12.4925 -12.4925 -12.4337 -12.4337 -11.1259 -11.1259 -11.0661 -11.0661 -10.9879 -10.9879 -10.9281 -10.9281 0.6958 0.6958 4.0444 4.0444 8.5894 8.5894 8.6242 8.6242 8.9799 8.9799 9.5842 9.5842 10.2750 10.2750 12.0740 12.0740 12.5920 12.5920 12.7329 12.7329 12.9013 12.9013 k =-0.4500 0.1813-0.0000 ( 2866 PWs) bands (ev): -31.4478 -31.4478 -31.4322 -31.4322 -12.4892 -12.4892 -12.4370 -12.4370 -11.1219 -11.1219 -11.0680 -11.0680 -10.9890 -10.9890 -10.9294 -10.9294 0.7043 0.7043 4.0320 4.0320 8.5980 8.5980 8.6289 8.6289 8.9762 8.9762 9.6043 9.6043 10.2391 10.2391 12.0965 12.0965 12.5853 12.5853 12.6984 12.6984 12.9420 12.9420 k =-0.4667 0.1880-0.0000 ( 2860 PWs) bands (ev): -31.4470 -31.4470 -31.4330 -31.4330 -12.4866 -12.4866 -12.4397 -12.4397 -11.1187 -11.1187 -11.0696 -11.0696 -10.9898 -10.9898 -10.9303 -10.9303 0.7104 0.7104 4.0230 4.0230 8.6040 8.6040 8.6323 8.6323 8.9735 8.9735 9.6220 9.6220 10.2100 10.2100 12.1141 12.1141 12.5805 12.5805 12.6720 12.6720 12.9758 12.9758 k =-0.4833 0.1947-0.0000 ( 2860 PWs) bands (ev): -31.4465 -31.4465 -31.4335 -31.4335 -12.4848 -12.4848 -12.4415 -12.4415 -11.1167 -11.1167 -11.0708 -11.0708 -10.9904 -10.9904 -10.9309 -10.9309 0.7142 0.7142 4.0176 4.0176 8.6074 8.6074 8.6343 8.6343 8.9719 8.9719 9.6343 9.6343 10.1907 10.1907 12.1255 12.1255 12.5777 12.5777 12.6553 12.6553 12.9982 12.9982 k =-0.5000 0.2014-0.0000 ( 2858 PWs) bands (ev): -31.4463 -31.4463 -31.4337 -31.4337 -12.4842 -12.4842 -12.4422 -12.4422 -11.1160 -11.1160 -11.0712 -11.0712 -10.9905 -10.9905 -10.9311 -10.9311 0.7154 0.7154 4.0158 4.0158 8.6085 8.6085 8.6350 8.6350 8.9713 8.9713 9.6388 9.6388 10.1839 10.1839 12.1294 12.1294 12.5768 12.5768 12.6496 12.6496 13.0061 13.0061 k =-0.5000 0.2014-0.0000 ( 2858 PWs) bands (ev): -31.4463 -31.4463 -31.4337 -31.4337 -12.4842 -12.4842 -12.4422 -12.4422 -11.1160 -11.1160 -11.0712 -11.0712 -10.9905 -10.9905 -10.9311 -10.9311 0.7154 0.7154 4.0158 4.0158 8.6085 8.6085 8.6350 8.6350 8.9713 8.9713 9.6388 9.6388 10.1839 10.1839 12.1294 12.1294 12.5768 12.5768 12.6496 12.6496 13.0061 13.0061 k =-0.4932 0.2182-0.0000 ( 2856 PWs) bands (ev): -31.4463 -31.4463 -31.4337 -31.4337 -12.4842 -12.4842 -12.4422 -12.4422 -11.1161 -11.1161 -11.0712 -11.0712 -10.9904 -10.9904 -10.9311 -10.9311 0.7161 0.7161 4.0175 4.0175 8.6072 8.6072 8.6279 8.6279 8.9701 8.9701 9.6455 9.6455 10.1845 10.1845 12.1303 12.1303 12.5788 12.5788 12.6257 12.6257 13.0130 13.0130 k =-0.4865 0.2350-0.0000 ( 2862 PWs) bands (ev): -31.4462 -31.4462 -31.4338 -31.4338 -12.4843 -12.4843 -12.4425 -12.4425 -11.1165 -11.1165 -11.0714 -11.0714 -10.9902 -10.9902 -10.9312 -10.9312 0.7183 0.7183 4.0225 4.0225 8.5938 8.5938 8.6171 8.6171 8.9664 8.9664 9.6651 9.6651 10.1864 10.1864 12.1327 12.1327 12.5604 12.5604 12.5870 12.5870 13.0268 13.0268 k =-0.4797 0.2517-0.0000 ( 2864 PWs) bands (ev): -31.4461 -31.4461 -31.4338 -31.4338 -12.4843 -12.4843 -12.4429 -12.4429 -11.1172 -11.1172 -11.0717 -11.0717 -10.9897 -10.9897 -10.9313 -10.9313 0.7220 0.7220 4.0308 4.0308 8.5567 8.5567 8.6157 8.6157 8.9602 8.9602 9.6957 9.6957 10.1892 10.1892 12.1369 12.1369 12.4719 12.4719 12.5974 12.5974 13.0346 13.0346 k =-0.4730 0.2685-0.0000 ( 2868 PWs) bands (ev): -31.4460 -31.4460 -31.4339 -31.4339 -12.4844 -12.4844 -12.4435 -12.4435 -11.1181 -11.1181 -11.0722 -11.0722 -10.9891 -10.9891 -10.9315 -10.9315 0.7270 0.7270 4.0425 4.0425 8.5052 8.5052 8.6170 8.6170 8.9517 8.9517 9.7352 9.7352 10.1928 10.1928 12.1427 12.1427 12.3682 12.3682 12.6128 12.6128 13.0197 13.0197 k =-0.4662 0.2853-0.0000 ( 2868 PWs) bands (ev): -31.4458 -31.4458 -31.4340 -31.4340 -12.4845 -12.4845 -12.4442 -12.4442 -11.1192 -11.1192 -11.0728 -11.0728 -10.9884 -10.9884 -10.9317 -10.9317 0.7334 0.7334 4.0575 4.0575 8.4433 8.4433 8.6193 8.6193 8.9410 8.9410 9.7814 9.7814 10.1968 10.1968 12.1499 12.1499 12.2571 12.2571 12.6323 12.6323 12.9725 12.9725 k =-0.4595 0.3020-0.0000 ( 2868 PWs) bands (ev): -31.4456 -31.4456 -31.4341 -31.4341 -12.4846 -12.4846 -12.4451 -12.4451 -11.1206 -11.1206 -11.0735 -11.0735 -10.9875 -10.9875 -10.9319 -10.9319 0.7413 0.7413 4.0757 4.0757 8.3734 8.3734 8.6222 8.6222 8.9282 8.9282 9.8323 9.8323 10.2005 10.2005 12.1351 12.1351 12.1665 12.1665 12.6558 12.6558 12.9094 12.9094 k =-0.4527 0.3188-0.0000 ( 2868 PWs) bands (ev): -31.4453 -31.4453 -31.4343 -31.4343 -12.4848 -12.4848 -12.4461 -12.4461 -11.1221 -11.1221 -11.0744 -11.0744 -10.9866 -10.9866 -10.9322 -10.9322 0.7504 0.7504 4.0971 4.0971 8.2972 8.2972 8.6257 8.6257 8.9134 8.9134 9.8865 9.8865 10.2033 10.2033 12.0241 12.0241 12.1739 12.1739 12.6828 12.6828 12.8390 12.8390 k =-0.4460 0.3356-0.0000 ( 2868 PWs) bands (ev): -31.4450 -31.4450 -31.4345 -31.4345 -12.4849 -12.4849 -12.4473 -12.4473 -11.1238 -11.1238 -11.0754 -11.0754 -10.9855 -10.9855 -10.9324 -10.9324 0.7608 0.7608 4.1217 4.1217 8.2160 8.2160 8.6298 8.6298 8.8970 8.8970 9.9429 9.9429 10.2041 10.2041 11.9114 11.9114 12.1875 12.1875 12.7120 12.7120 12.7654 12.7654 k =-0.4392 0.3524-0.0000 ( 2864 PWs) bands (ev): -31.4446 -31.4446 -31.4346 -31.4346 -12.4851 -12.4851 -12.4486 -12.4486 -11.1256 -11.1256 -11.0766 -11.0766 -10.9844 -10.9844 -10.9326 -10.9326 0.7724 0.7724 4.1494 4.1494 8.1310 8.1310 8.6345 8.6345 8.8791 8.8791 10.0007 10.0007 10.2017 10.2017 11.8035 11.8035 12.2036 12.2036 12.6843 12.6843 12.7493 12.7493 k =-0.4324 0.3691-0.0000 ( 2856 PWs) bands (ev): -31.4442 -31.4442 -31.4349 -31.4349 -12.4853 -12.4853 -12.4501 -12.4501 -11.1275 -11.1275 -11.0779 -11.0779 -10.9832 -10.9832 -10.9328 -10.9328 0.7851 0.7851 4.1801 4.1801 8.0430 8.0430 8.6397 8.6397 8.8599 8.8599 10.0592 10.0592 10.1946 10.1946 11.7029 11.7029 12.2220 12.2220 12.6069 12.6069 12.7845 12.7845 k =-0.4257 0.3859-0.0000 ( 2852 PWs) bands (ev): -31.4438 -31.4438 -31.4351 -31.4351 -12.4855 -12.4855 -12.4516 -12.4516 -11.1296 -11.1296 -11.0794 -11.0794 -10.9821 -10.9821 -10.9329 -10.9329 0.7989 0.7989 4.2138 4.2138 7.9527 7.9527 8.6455 8.6455 8.8396 8.8396 10.1181 10.1181 10.1808 10.1808 11.6121 11.6121 12.2427 12.2427 12.5287 12.5287 12.8226 12.8226 k =-0.4189 0.4027-0.0000 ( 2852 PWs) bands (ev): -31.4434 -31.4434 -31.4354 -31.4354 -12.4856 -12.4856 -12.4533 -12.4533 -11.1316 -11.1316 -11.0810 -11.0810 -10.9810 -10.9810 -10.9330 -10.9330 0.8137 0.8137 4.2503 4.2503 7.8608 7.8608 8.6518 8.6518 8.8185 8.8185 10.1576 10.1576 10.1781 10.1781 11.5335 11.5335 12.2649 12.2649 12.4519 12.4519 12.8619 12.8619 k =-0.4122 0.4194-0.0000 ( 2848 PWs) bands (ev): -31.4429 -31.4429 -31.4356 -31.4356 -12.4858 -12.4858 -12.4551 -12.4551 -11.1337 -11.1337 -11.0827 -11.0827 -10.9799 -10.9799 -10.9329 -10.9329 0.8293 0.8293 4.2896 4.2896 7.7677 7.7677 8.6587 8.6587 8.7968 8.7968 10.1254 10.1254 10.2367 10.2367 11.4694 11.4694 12.2849 12.2849 12.3811 12.3811 12.8892 12.8892 k =-0.4054 0.4362-0.0000 ( 2860 PWs) bands (ev): -31.4424 -31.4424 -31.4360 -31.4360 -12.4860 -12.4860 -12.4570 -12.4570 -11.1359 -11.1359 -11.0846 -11.0846 -10.9789 -10.9789 -10.9327 -10.9327 0.8458 0.8458 4.3316 4.3316 7.6738 7.6738 8.6661 8.6661 8.7747 8.7747 10.0813 10.0813 10.2955 10.2955 11.4212 11.4212 12.2711 12.2711 12.3483 12.3483 12.8621 12.8621 k =-0.3987 0.4530-0.0000 ( 2852 PWs) bands (ev): -31.4418 -31.4418 -31.4363 -31.4363 -12.4862 -12.4862 -12.4589 -12.4589 -11.1380 -11.1380 -11.0866 -11.0866 -10.9780 -10.9780 -10.9324 -10.9324 0.8629 0.8629 4.3762 4.3762 7.5797 7.5797 8.6739 8.6739 8.7526 8.7526 10.0251 10.0251 10.3542 10.3542 11.3896 11.3896 12.2082 12.2082 12.3693 12.3693 12.8282 12.8282 k =-0.3919 0.4698-0.0000 ( 2846 PWs) bands (ev): -31.4412 -31.4412 -31.4366 -31.4366 -12.4865 -12.4865 -12.4609 -12.4609 -11.1401 -11.1401 -11.0887 -11.0887 -10.9772 -10.9772 -10.9320 -10.9320 0.8806 0.8806 4.4231 4.4231 7.4856 7.4856 8.6821 8.6821 8.7307 8.7307 9.9575 9.9575 10.4125 10.4125 11.3744 11.3744 12.1380 12.1380 12.4025 12.4025 12.7930 12.7930 k =-0.3852 0.4865-0.0000 ( 2850 PWs) bands (ev): -31.4406 -31.4406 -31.4370 -31.4370 -12.4867 -12.4867 -12.4629 -12.4629 -11.1422 -11.1422 -11.0909 -11.0909 -10.9766 -10.9766 -10.9313 -10.9313 0.8988 0.8988 4.4724 4.4724 7.3919 7.3919 8.6894 8.6894 8.7106 8.7106 9.8799 9.8799 10.4706 10.4706 11.3743 11.3743 12.0684 12.0684 12.4402 12.4402 12.7569 12.7569 k =-0.3784 0.5033-0.0000 ( 2850 PWs) bands (ev): -31.4400 -31.4400 -31.4374 -31.4374 -12.4870 -12.4870 -12.4648 -12.4648 -11.1442 -11.1442 -11.0932 -11.0932 -10.9761 -10.9761 -10.9305 -10.9305 0.9173 0.9173 4.5238 4.5238 7.2990 7.2990 8.6828 8.6828 8.7051 8.7051 9.7939 9.7939 10.5284 10.5284 11.3878 11.3878 12.0007 12.0007 12.4811 12.4811 12.7208 12.7208 k =-0.3716 0.5201-0.0000 ( 2854 PWs) bands (ev): -31.4393 -31.4393 -31.4379 -31.4379 -12.4874 -12.4874 -12.4667 -12.4667 -11.1462 -11.1462 -11.0956 -11.0956 -10.9758 -10.9758 -10.9295 -10.9295 0.9359 0.9359 4.5771 4.5771 7.2071 7.2071 8.6635 8.6635 8.7137 8.7137 9.7015 9.7015 10.5860 10.5860 11.4130 11.4130 11.9353 11.9353 12.5237 12.5237 12.6860 12.6860 k =-0.3649 0.5368-0.0000 ( 2856 PWs) bands (ev): -31.4387 -31.4387 -31.4383 -31.4383 -12.4879 -12.4879 -12.4685 -12.4685 -11.1482 -11.1482 -11.0980 -11.0980 -10.9757 -10.9757 -10.9283 -10.9283 0.9546 0.9546 4.6322 4.6322 7.1166 7.1166 8.6436 8.6436 8.7241 8.7241 9.6047 9.6047 10.6434 10.6434 11.4481 11.4481 11.8725 11.8725 12.5631 12.5631 12.6572 12.6572 k =-0.3581 0.5536-0.0000 ( 2864 PWs) bands (ev): -31.4388 -31.4388 -31.4380 -31.4380 -12.4885 -12.4885 -12.4701 -12.4701 -11.1501 -11.1501 -11.1004 -11.1004 -10.9757 -10.9757 -10.9270 -10.9270 0.9732 0.9732 4.6889 4.6889 7.0277 7.0277 8.6243 8.6243 8.7353 8.7353 9.5048 9.5048 10.7007 10.7007 11.4918 11.4918 11.8125 11.8125 12.5759 12.5759 12.6580 12.6580 k =-0.3514 0.5704-0.0000 ( 2862 PWs) bands (ev): -31.4393 -31.4393 -31.4372 -31.4372 -12.4894 -12.4894 -12.4714 -12.4714 -11.1519 -11.1519 -11.1028 -11.1028 -10.9759 -10.9759 -10.9255 -10.9255 0.9915 0.9915 4.7470 4.7470 6.9408 6.9408 8.6059 8.6059 8.7472 8.7472 9.4035 9.4035 10.7578 10.7578 11.5426 11.5426 11.7554 11.7554 12.5519 12.5519 12.6986 12.6986 k =-0.3446 0.5871-0.0000 ( 2858 PWs) bands (ev): -31.4398 -31.4398 -31.4365 -31.4365 -12.4906 -12.4906 -12.4724 -12.4724 -11.1536 -11.1536 -11.1052 -11.1052 -10.9763 -10.9763 -10.9238 -10.9238 1.0094 1.0094 4.8061 4.8061 6.8562 6.8562 8.5887 8.5887 8.7596 8.7596 9.3017 9.3017 10.8151 10.8151 11.5995 11.5995 11.7014 11.7014 12.5184 12.5184 12.7516 12.7516 k =-0.3379 0.6039-0.0000 ( 2862 PWs) bands (ev): -31.4404 -31.4404 -31.4358 -31.4358 -12.4920 -12.4920 -12.4730 -12.4730 -11.1553 -11.1553 -11.1075 -11.1075 -10.9768 -10.9768 -10.9220 -10.9220 1.0267 1.0267 4.8661 4.8661 6.7741 6.7741 8.5728 8.5728 8.7725 8.7725 9.2005 9.2005 10.8723 10.8723 11.6498 11.6498 11.6623 11.6623 12.4832 12.4832 12.8090 12.8090 k =-0.3311 0.6207-0.0000 ( 2858 PWs) bands (ev): -31.4409 -31.4409 -31.4350 -31.4350 -12.4938 -12.4938 -12.4733 -12.4733 -11.1570 -11.1570 -11.1096 -11.1096 -10.9774 -10.9774 -10.9201 -10.9201 1.0432 1.0432 4.9266 4.9266 6.6948 6.6948 8.5582 8.5582 8.7859 8.7859 9.1008 9.1008 10.9298 10.9298 11.6026 11.6026 11.7280 11.7280 12.4478 12.4478 12.8691 12.8691 k =-0.3243 0.6375-0.0000 ( 2858 PWs) bands (ev): -31.4415 -31.4415 -31.4342 -31.4342 -12.4958 -12.4958 -12.4731 -12.4731 -11.1587 -11.1587 -11.1117 -11.1117 -10.9781 -10.9781 -10.9181 -10.9181 1.0587 1.0587 4.9873 4.9873 6.6186 6.6186 8.5451 8.5451 8.7997 8.7997 9.0033 9.0033 10.9874 10.9874 11.5582 11.5582 11.7976 11.7976 12.4130 12.4130 12.9310 12.9310 k =-0.3176 0.6542-0.0000 ( 2858 PWs) bands (ev): -31.4421 -31.4421 -31.4334 -31.4334 -12.4979 -12.4979 -12.4727 -12.4727 -11.1603 -11.1603 -11.1135 -11.1135 -10.9789 -10.9789 -10.9160 -10.9160 1.0731 1.0731 5.0477 5.0477 6.5458 6.5458 8.5336 8.5336 8.8138 8.8138 8.9088 8.9088 11.0454 11.0454 11.5170 11.5170 11.8696 11.8696 12.3793 12.3793 12.9937 12.9937 k =-0.3108 0.6710-0.0000 ( 2858 PWs) bands (ev): -31.4428 -31.4428 -31.4326 -31.4326 -12.5002 -12.5002 -12.4720 -12.4720 -11.1620 -11.1620 -11.1152 -11.1152 -10.9799 -10.9799 -10.9138 -10.9138 1.0862 1.0862 5.1076 5.1076 6.4766 6.4766 8.5237 8.5237 8.8140 8.8140 8.8322 8.8322 11.1037 11.1037 11.4792 11.4792 11.9428 11.9428 12.3474 12.3474 13.0554 13.0554 k =-0.3041 0.6878-0.0000 ( 2858 PWs) bands (ev): -31.4434 -31.4434 -31.4318 -31.4318 -12.5027 -12.5027 -12.4711 -12.4711 -11.1637 -11.1637 -11.1166 -11.1166 -10.9809 -10.9809 -10.9115 -10.9115 1.0979 1.0979 5.1663 5.1663 6.4113 6.4113 8.5155 8.5155 8.7299 8.7299 8.8445 8.8445 11.1625 11.1625 11.4448 11.4448 12.0149 12.0149 12.3189 12.3189 13.0597 13.0597 k =-0.2973 0.7045-0.0000 ( 2858 PWs) bands (ev): -31.4441 -31.4441 -31.4310 -31.4310 -12.5051 -12.5051 -12.4699 -12.4699 -11.1654 -11.1654 -11.1177 -11.1177 -10.9819 -10.9819 -10.9093 -10.9093 1.1079 1.1079 5.2235 5.2235 6.3501 6.3501 8.5091 8.5091 8.6480 8.6480 8.8596 8.8596 11.2217 11.2217 11.4138 11.4138 12.0805 12.0805 12.2985 12.2985 13.0163 13.0163 k =-0.2906 0.7213-0.0000 ( 2858 PWs) bands (ev): -31.4448 -31.4448 -31.4302 -31.4302 -12.5076 -12.5076 -12.4685 -12.4685 -11.1672 -11.1672 -11.1185 -11.1185 -10.9830 -10.9830 -10.9070 -10.9070 1.1161 1.1161 5.2784 5.2784 6.2934 6.2934 8.5044 8.5044 8.5716 8.5716 8.8751 8.8751 11.2814 11.2814 11.3865 11.3865 12.1261 12.1261 12.2988 12.2988 12.9685 12.9685 k =-0.2906 0.7213-0.0000 ( 2858 PWs) bands (ev): -31.4448 -31.4448 -31.4302 -31.4302 -12.5076 -12.5076 -12.4685 -12.4685 -11.1672 -11.1672 -11.1185 -11.1185 -10.9830 -10.9830 -10.9070 -10.9070 1.1161 1.1161 5.2784 5.2784 6.2934 6.2934 8.5044 8.5044 8.5716 8.5716 8.8751 8.8751 11.2814 11.2814 11.3865 11.3865 12.1261 12.1261 12.2988 12.2988 12.9685 12.9685 k =-0.2906 0.7213 0.0179 ( 2858 PWs) bands (ev): -31.4447 -31.4447 -31.4302 -31.4302 -12.5077 -12.5077 -12.4686 -12.4686 -11.1673 -11.1673 -11.1184 -11.1184 -10.9832 -10.9832 -10.9071 -10.9071 1.1171 1.1171 5.2776 5.2776 6.2949 6.2949 8.4911 8.4911 8.5799 8.5799 8.8746 8.8746 11.2552 11.2552 11.4122 11.4122 12.1329 12.1329 12.2897 12.2897 12.9782 12.9782 k =-0.2906 0.7213 0.0358 ( 2850 PWs) bands (ev): -31.4447 -31.4447 -31.4302 -31.4302 -12.5077 -12.5077 -12.4687 -12.4687 -11.1677 -11.1677 -11.1182 -11.1182 -10.9837 -10.9837 -10.9075 -10.9075 1.1203 1.1203 5.2752 5.2752 6.2994 6.2994 8.4602 8.4602 8.5962 8.5962 8.8730 8.8730 11.2052 11.2052 11.4607 11.4607 12.1510 12.1510 12.2658 12.2658 13.0058 13.0058 k =-0.2906 0.7213 0.0537 ( 2858 PWs) bands (ev): -31.4446 -31.4446 -31.4301 -31.4301 -12.5078 -12.5078 -12.4690 -12.4690 -11.1682 -11.1682 -11.1178 -11.1178 -10.9844 -10.9844 -10.9082 -10.9082 1.1256 1.1256 5.2710 5.2710 6.3070 6.3070 8.4193 8.4193 8.6136 8.6136 8.8702 8.8702 11.1500 11.1500 11.5134 11.5134 12.1649 12.1649 12.2459 12.2459 13.0472 13.0472 k =-0.2906 0.7213 0.0716 ( 2864 PWs) bands (ev): -31.4444 -31.4444 -31.4300 -31.4300 -12.5080 -12.5080 -12.4694 -12.4694 -11.1690 -11.1690 -11.1173 -11.1173 -10.9855 -10.9855 -10.9091 -10.9091 1.1331 1.1331 5.2650 5.2650 6.3175 6.3175 8.3705 8.3705 8.6307 8.6307 8.8663 8.8663 11.0935 11.0935 11.5664 11.5664 12.1357 12.1357 12.2718 12.2718 13.0983 13.0983 k =-0.2906 0.7213 0.0895 ( 2865 PWs) bands (ev): -31.4443 -31.4443 -31.4300 -31.4300 -12.5082 -12.5082 -12.4699 -12.4699 -11.1699 -11.1699 -11.1166 -11.1166 -10.9869 -10.9869 -10.9102 -10.9102 1.1426 1.1426 5.2570 5.2570 6.3309 6.3309 8.3150 8.3150 8.6477 8.6477 8.8613 8.8613 11.0370 11.0370 11.6186 11.6186 12.0795 12.0795 12.3293 12.3293 13.1555 13.1555 k =-0.2906 0.7213 0.1074 ( 2867 PWs) bands (ev): -31.4440 -31.4440 -31.4298 -31.4298 -12.5085 -12.5085 -12.4706 -12.4706 -11.1710 -11.1710 -11.1158 -11.1158 -10.9885 -10.9885 -10.9116 -10.9116 1.1543 1.1543 5.2469 5.2469 6.3472 6.3472 8.2537 8.2537 8.6651 8.6651 8.8550 8.8550 10.9811 10.9811 11.6692 11.6692 12.0142 12.0142 12.4011 12.4011 13.2155 13.2155 k =-0.2906 0.7213 0.1253 ( 2863 PWs) bands (ev): -31.4438 -31.4438 -31.4297 -31.4297 -12.5088 -12.5088 -12.4713 -12.4713 -11.1723 -11.1723 -11.1150 -11.1150 -10.9904 -10.9904 -10.9133 -10.9133 1.1681 1.1681 5.2345 5.2345 6.3663 6.3663 8.1878 8.1878 8.6831 8.6831 8.8474 8.8474 10.9264 10.9264 11.7177 11.7177 11.9448 11.9448 12.4822 12.4822 13.2712 13.2712 k =-0.2906 0.7213 0.1432 ( 2867 PWs) bands (ev): -31.4435 -31.4435 -31.4296 -31.4296 -12.5091 -12.5091 -12.4721 -12.4721 -11.1737 -11.1737 -11.1141 -11.1141 -10.9926 -10.9926 -10.9151 -10.9151 1.1840 1.1840 5.2195 5.2195 6.3881 6.3881 8.1184 8.1184 8.7020 8.7020 8.8385 8.8385 10.8732 10.8732 11.7622 11.7622 11.8748 11.8748 12.5698 12.5698 13.3058 13.3058 k =-0.2906 0.7213 0.1611 ( 2865 PWs) bands (ev): -31.4432 -31.4432 -31.4294 -31.4294 -12.5095 -12.5095 -12.4731 -12.4731 -11.1752 -11.1752 -11.1131 -11.1131 -10.9950 -10.9950 -10.9171 -10.9171 1.2021 1.2021 5.2016 5.2016 6.4125 6.4125 8.0468 8.0468 8.7218 8.7218 8.8283 8.8283 10.8218 10.8218 11.7777 11.7777 11.8303 11.8303 12.6613 12.6613 13.3302 13.3302 k =-0.2906 0.7213 0.1790 ( 2865 PWs) bands (ev): -31.4428 -31.4428 -31.4292 -31.4292 -12.5099 -12.5099 -12.4741 -12.4741 -11.1768 -11.1768 -11.1121 -11.1121 -10.9977 -10.9977 -10.9193 -10.9193 1.2222 1.2222 5.1807 5.1807 6.4395 6.4395 7.9741 7.9741 8.7423 8.7423 8.8170 8.8170 10.7725 10.7725 11.7153 11.7153 11.8608 11.8608 12.7545 12.7545 13.3554 13.3554 k =-0.2906 0.7213 0.1969 ( 2867 PWs) bands (ev): -31.4424 -31.4424 -31.4290 -31.4290 -12.5104 -12.5104 -12.4752 -12.4752 -11.1785 -11.1785 -11.1111 -11.1111 -11.0005 -11.0005 -10.9216 -10.9216 1.2444 1.2444 5.1564 5.1564 6.4689 6.4689 7.9015 7.9015 8.7626 8.7626 8.8055 8.8055 10.7257 10.7257 11.6419 11.6419 11.8999 11.8999 12.8471 12.8471 13.3832 13.3832 k =-0.2906 0.7213 0.2148 ( 2871 PWs) bands (ev): -31.4420 -31.4420 -31.4288 -31.4288 -12.5109 -12.5109 -12.4765 -12.4765 -11.1803 -11.1803 -11.1101 -11.1101 -11.0035 -11.0035 -10.9240 -10.9240 1.2688 1.2688 5.1284 5.1284 6.5005 6.5005 7.8300 7.8300 8.7747 8.7747 8.8015 8.8015 10.6816 10.6816 11.5677 11.5677 11.9380 11.9380 12.9370 12.9370 13.4141 13.4141 k =-0.2906 0.7213 0.2327 ( 2864 PWs) bands (ev): -31.4415 -31.4415 -31.4286 -31.4286 -12.5115 -12.5115 -12.4778 -12.4778 -11.1821 -11.1821 -11.1092 -11.1092 -11.0067 -11.0067 -10.9266 -10.9266 1.2952 1.2952 5.0965 5.0965 6.5343 6.5343 7.7604 7.7604 8.7656 8.7656 8.8181 8.8181 10.6403 10.6403 11.4939 11.4939 11.9744 11.9744 13.0224 13.0224 13.4483 13.4483 k =-0.2906 0.7213 0.2506 ( 2858 PWs) bands (ev): -31.4410 -31.4410 -31.4284 -31.4284 -12.5120 -12.5120 -12.4792 -12.4792 -11.1839 -11.1839 -11.1082 -11.1082 -11.0100 -11.0100 -10.9292 -10.9292 1.3237 1.3237 5.0604 5.0604 6.5700 6.5700 7.6936 7.6936 8.7490 8.7490 8.8412 8.8412 10.6020 10.6020 11.4210 11.4210 12.0089 12.0089 13.1019 13.1019 13.4859 13.4859 k =-0.2906 0.7213 0.2685 ( 2860 PWs) bands (ev): -31.4405 -31.4405 -31.4282 -31.4282 -12.5127 -12.5127 -12.4807 -12.4807 -11.1858 -11.1858 -11.1074 -11.1074 -11.0135 -11.0135 -10.9319 -10.9319 1.3543 1.3543 5.0200 5.0200 6.6076 6.6076 7.6302 7.6302 8.7300 8.7300 8.8657 8.8657 10.5669 10.5669 11.3496 11.3496 12.0417 12.0417 13.1744 13.1744 13.5268 13.5268 k =-0.2906 0.7213 0.2864 ( 2861 PWs) bands (ev): -31.4400 -31.4400 -31.4279 -31.4279 -12.5134 -12.5134 -12.4822 -12.4822 -11.1877 -11.1877 -11.1066 -11.1066 -11.0170 -11.0170 -10.9346 -10.9346 1.3870 1.3870 4.9752 4.9752 6.6467 6.6467 7.5709 7.5709 8.7093 8.7093 8.8906 8.8906 10.5351 10.5351 11.2798 11.2798 12.0730 12.0730 13.2393 13.2393 13.5711 13.5711 k =-0.2906 0.7213 0.3043 ( 2867 PWs) bands (ev): -31.4394 -31.4394 -31.4277 -31.4277 -12.5141 -12.5141 -12.4839 -12.4839 -11.1896 -11.1896 -11.1059 -11.1059 -11.0205 -11.0205 -10.9374 -10.9374 1.4217 1.4217 4.9258 4.9258 6.6873 6.6873 7.5159 7.5159 8.6873 8.6873 8.9155 8.9155 10.5065 10.5065 11.2121 11.2121 12.1029 12.1029 13.2967 13.2967 13.6185 13.6185 k =-0.2906 0.7213 0.3222 ( 2869 PWs) bands (ev): -31.4389 -31.4389 -31.4275 -31.4275 -12.5148 -12.5148 -12.4856 -12.4856 -11.1915 -11.1915 -11.1053 -11.1053 -11.0241 -11.0241 -10.9401 -10.9401 1.4585 1.4585 4.8719 4.8719 6.7290 6.7290 7.4655 7.4655 8.6643 8.6643 8.9398 8.9398 10.4813 10.4813 11.1468 11.1468 12.1318 12.1318 13.3468 13.3468 13.6689 13.6689 k =-0.2906 0.7213 0.3401 ( 2866 PWs) bands (ev): -31.4383 -31.4383 -31.4272 -31.4272 -12.5155 -12.5155 -12.4873 -12.4873 -11.1934 -11.1934 -11.1048 -11.1048 -11.0277 -11.0277 -10.9428 -10.9428 1.4973 1.4973 4.8136 4.8136 6.7716 6.7716 7.4201 7.4201 8.6404 8.6404 8.9632 8.9632 10.4593 10.4593 11.0841 11.0841 12.1599 12.1599 13.3903 13.3903 13.7220 13.7220 k =-0.2906 0.7213 0.3580 ( 2864 PWs) bands (ev): -31.4377 -31.4377 -31.4270 -31.4270 -12.5163 -12.5163 -12.4891 -12.4891 -11.1953 -11.1953 -11.1044 -11.1044 -11.0313 -11.0313 -10.9454 -10.9454 1.5382 1.5382 4.7510 4.7510 6.8149 6.8149 7.3795 7.3795 8.6160 8.6160 8.9852 8.9852 10.4404 10.4404 11.0244 11.0244 12.1876 12.1876 13.4280 13.4280 13.7775 13.7775 k =-0.2906 0.7213 0.3759 ( 2862 PWs) bands (ev): -31.4371 -31.4371 -31.4268 -31.4268 -12.5171 -12.5171 -12.4910 -12.4910 -11.1971 -11.1971 -11.1042 -11.1042 -11.0348 -11.0348 -10.9480 -10.9480 1.5811 1.5811 4.6845 4.6845 6.8585 6.8585 7.3438 7.3438 8.5915 8.5915 9.0054 9.0054 10.4246 10.4246 10.9678 10.9678 12.2151 12.2151 13.4606 13.4606 13.8351 13.8351 k =-0.2906 0.7213 0.3938 ( 2858 PWs) bands (ev): -31.4365 -31.4365 -31.4265 -31.4265 -12.5179 -12.5179 -12.4928 -12.4928 -11.1989 -11.1989 -11.1041 -11.1041 -11.0383 -11.0383 -10.9505 -10.9505 1.6260 1.6260 4.6141 4.6141 6.9022 6.9022 7.3128 7.3128 8.5670 8.5670 9.0234 9.0234 10.4118 10.4118 10.9148 10.9148 12.2427 12.2427 13.4890 13.4890 13.8943 13.8943 k =-0.2906 0.7213 0.4117 ( 2860 PWs) bands (ev): -31.4358 -31.4358 -31.4263 -31.4263 -12.5187 -12.5187 -12.4947 -12.4947 -11.2006 -11.2006 -11.1041 -11.1041 -11.0416 -11.0416 -10.9529 -10.9529 1.6730 1.6730 4.5404 4.5404 6.9455 6.9455 7.2863 7.2863 8.5432 8.5432 9.0385 9.0385 10.4017 10.4017 10.8655 10.8655 12.2707 12.2707 13.5138 13.5138 13.9547 13.9547 k =-0.2906 0.7213 0.4296 ( 2863 PWs) bands (ev): -31.4352 -31.4352 -31.4261 -31.4261 -12.5195 -12.5195 -12.4967 -12.4967 -11.2023 -11.2023 -11.1043 -11.1043 -11.0448 -11.0448 -10.9551 -10.9551 1.7219 1.7219 4.4636 4.4636 6.9882 6.9882 7.2641 7.2641 8.5204 8.5204 9.0505 9.0505 10.3942 10.3942 10.8200 10.8200 12.2993 12.2993 13.5354 13.5354 14.0148 14.0148 k =-0.2906 0.7213 0.4475 ( 2859 PWs) bands (ev): -31.4346 -31.4346 -31.4259 -31.4259 -12.5202 -12.5202 -12.4986 -12.4986 -11.2039 -11.2039 -11.1046 -11.1046 -11.0479 -11.0479 -10.9573 -10.9573 1.7728 1.7728 4.3841 4.3841 7.0299 7.0299 7.2460 7.2460 8.4990 8.4990 9.0588 9.0588 10.3892 10.3892 10.7786 10.7786 12.3288 12.3288 13.5539 13.5539 14.0509 14.0509 k =-0.2906 0.7213 0.4654 ( 2853 PWs) bands (ev): -31.4340 -31.4340 -31.4258 -31.4258 -12.5210 -12.5210 -12.5005 -12.5005 -11.2055 -11.2055 -11.1051 -11.1051 -11.0508 -11.0508 -10.9593 -10.9593 1.8257 1.8257 4.3023 4.3023 7.0700 7.0700 7.2316 7.2316 8.4795 8.4795 9.0633 9.0633 10.3863 10.3863 10.7414 10.7414 12.3593 12.3593 13.5690 13.5690 14.0436 14.0436 k =-0.2906 0.7213 0.4833 ( 2851 PWs) bands (ev): -31.4334 -31.4334 -31.4256 -31.4256 -12.5217 -12.5217 -12.5024 -12.5024 -11.2070 -11.2070 -11.1057 -11.1057 -11.0536 -11.0536 -10.9612 -10.9612 1.8805 1.8805 4.2185 4.2185 7.1081 7.1081 7.2207 7.2207 8.4624 8.4624 9.0635 9.0635 10.3855 10.3855 10.7082 10.7082 12.3910 12.3910 13.5799 13.5799 14.0335 14.0335 k =-0.2906 0.7213 0.5012 ( 2847 PWs) bands (ev): -31.4328 -31.4328 -31.4255 -31.4255 -12.5224 -12.5224 -12.5042 -12.5042 -11.2084 -11.2084 -11.1064 -11.1064 -11.0561 -11.0561 -10.9629 -10.9629 1.9372 1.9372 4.1332 4.1332 7.1438 7.1438 7.2130 7.2130 8.4482 8.4482 9.0594 9.0594 10.3866 10.3866 10.6791 10.6791 12.4242 12.4242 13.5855 13.5855 14.0254 14.0254 k =-0.2906 0.7213 0.5191 ( 2851 PWs) bands (ev): -31.4322 -31.4322 -31.4254 -31.4254 -12.5231 -12.5231 -12.5061 -12.5061 -11.2097 -11.2097 -11.1073 -11.1073 -11.0584 -11.0584 -10.9645 -10.9645 1.9959 1.9959 4.0466 4.0466 7.1761 7.1761 7.2086 7.2086 8.4375 8.4375 9.0510 9.0510 10.3893 10.3893 10.6537 10.6537 12.4588 12.4588 13.5843 13.5843 14.0217 14.0217 k =-0.2906 0.7213 0.5370 ( 2849 PWs) bands (ev): -31.4316 -31.4316 -31.4253 -31.4253 -12.5237 -12.5237 -12.5078 -12.5078 -11.2109 -11.2109 -11.1082 -11.1082 -11.0606 -11.0606 -10.9659 -10.9659 2.0565 2.0565 3.9590 3.9590 7.1999 7.1999 7.2121 7.2121 8.4305 8.4305 9.0382 9.0382 10.3934 10.3934 10.6319 10.6319 12.4950 12.4950 13.5751 13.5751 14.0247 14.0247 k =-0.2906 0.7213 0.5549 ( 2855 PWs) bands (ev): -31.4310 -31.4310 -31.4252 -31.4252 -12.5242 -12.5242 -12.5096 -12.5096 -11.2121 -11.2121 -11.1092 -11.1092 -11.0625 -11.0625 -10.9672 -10.9672 2.1189 2.1189 3.8708 3.8708 7.2036 7.2036 7.2344 7.2344 8.4277 8.4277 9.0213 9.0213 10.3989 10.3989 10.6131 10.6131 12.5329 12.5329 13.5573 13.5573 14.0356 14.0356 k =-0.2906 0.7213 0.5728 ( 2855 PWs) bands (ev): -31.4305 -31.4305 -31.4252 -31.4252 -12.5247 -12.5247 -12.5112 -12.5112 -11.2131 -11.2131 -11.1102 -11.1102 -11.0643 -11.0643 -10.9684 -10.9684 2.1832 2.1832 3.7822 3.7822 7.2059 7.2059 7.2562 7.2562 8.4294 8.4294 9.0006 9.0006 10.4055 10.4055 10.5971 10.5971 12.5724 12.5724 13.5312 13.5312 14.0546 14.0546 k =-0.2906 0.7213 0.5907 ( 2852 PWs) bands (ev): -31.4300 -31.4300 -31.4251 -31.4251 -12.5251 -12.5251 -12.5128 -12.5128 -11.2141 -11.2141 -11.1112 -11.1112 -11.0659 -11.0659 -10.9694 -10.9694 2.2493 2.2493 3.6936 3.6936 7.2098 7.2098 7.2743 7.2743 8.4357 8.4357 8.9763 8.9763 10.4129 10.4129 10.5834 10.5834 12.6137 12.6137 13.4979 13.4979 14.0812 14.0812 k =-0.2906 0.7213 0.6086 ( 2852 PWs) bands (ev): -31.4295 -31.4295 -31.4251 -31.4251 -12.5254 -12.5254 -12.5143 -12.5143 -11.2149 -11.2149 -11.1122 -11.1122 -11.0672 -11.0672 -10.9703 -10.9703 2.3172 2.3172 3.6050 3.6050 7.2151 7.2151 7.2883 7.2883 8.4467 8.4467 8.9488 8.9488 10.4212 10.4212 10.5715 10.5715 12.6567 12.6567 13.4587 13.4587 14.1142 14.1142 k =-0.2906 0.7213 0.6265 ( 2852 PWs) bands (ev): -31.4290 -31.4290 -31.4252 -31.4252 -12.5257 -12.5257 -12.5157 -12.5157 -11.2157 -11.2157 -11.1131 -11.1131 -11.0684 -11.0684 -10.9711 -10.9711 2.3868 2.3868 3.5167 3.5167 7.2216 7.2216 7.2984 7.2984 8.4622 8.4622 8.9186 8.9186 10.4300 10.4300 10.5609 10.5609 12.7013 12.7013 13.4149 13.4149 14.1524 14.1524 k =-0.2906 0.7213 0.6444 ( 2850 PWs) bands (ev): -31.4285 -31.4285 -31.4253 -31.4253 -12.5259 -12.5259 -12.5170 -12.5170 -11.2163 -11.2163 -11.1140 -11.1140 -11.0695 -11.0695 -10.9717 -10.9717 2.4582 2.4582 3.4289 3.4289 7.2293 7.2293 7.3047 7.3047 8.4819 8.4819 8.8861 8.8861 10.4393 10.4393 10.5514 10.5514 12.7476 12.7476 13.3675 13.3675 14.1946 14.1946 k =-0.2906 0.7213 0.6623 ( 2847 PWs) bands (ev): -31.4281 -31.4281 -31.4254 -31.4254 -12.5260 -12.5260 -12.5181 -12.5181 -11.2169 -11.2169 -11.1148 -11.1148 -11.0703 -11.0703 -10.9723 -10.9723 2.5312 2.5312 3.3417 3.3417 7.2378 7.2378 7.3077 7.3077 8.5056 8.5056 8.8518 8.8518 10.4488 10.4488 10.5425 10.5425 12.7953 12.7953 13.3177 13.3177 14.2396 14.2396 k =-0.2906 0.7213 0.6802 ( 2843 PWs) bands (ev): -31.4277 -31.4277 -31.4255 -31.4255 -12.5260 -12.5260 -12.5192 -12.5192 -11.2174 -11.2174 -11.1154 -11.1154 -11.0710 -11.0710 -10.9727 -10.9727 2.6059 2.6059 3.2554 3.2554 7.2468 7.2468 7.3076 7.3076 8.5326 8.5326 8.8162 8.8162 10.4585 10.4585 10.5339 10.5339 12.8445 12.8445 13.2660 13.2660 14.2863 14.2863 k =-0.2906 0.7213 0.6981 ( 2845 PWs) bands (ev): -31.4273 -31.4273 -31.4257 -31.4257 -12.5260 -12.5260 -12.5200 -12.5200 -11.2177 -11.2177 -11.1159 -11.1159 -11.0716 -11.0716 -10.9730 -10.9730 2.6821 2.6821 3.1700 3.1700 7.2562 7.2562 7.3050 7.3050 8.5626 8.5626 8.7796 8.7796 10.4680 10.4680 10.5256 10.5256 12.8950 12.8950 13.2131 13.2131 14.3334 14.3334 k =-0.2906 0.7213 0.7160 ( 2844 PWs) bands (ev): -31.4269 -31.4269 -31.4258 -31.4258 -12.5259 -12.5259 -12.5207 -12.5207 -11.2180 -11.2180 -11.1163 -11.1163 -11.0720 -11.0720 -10.9733 -10.9733 2.7599 2.7599 3.0856 3.0856 7.2654 7.2654 7.3003 7.3003 8.5947 8.5947 8.7429 8.7429 10.4772 10.4772 10.5175 10.5175 12.9465 12.9465 13.1596 13.1596 14.3796 14.3796 k =-0.2906 0.7213 0.7339 ( 2846 PWs) bands (ev): -31.4266 -31.4266 -31.4261 -31.4261 -12.5258 -12.5258 -12.5211 -12.5211 -11.2181 -11.2181 -11.1166 -11.1166 -11.0722 -11.0722 -10.9734 -10.9734 2.8389 2.8389 3.0026 3.0026 7.2739 7.2739 7.2946 7.2946 8.6277 8.6277 8.7072 8.7072 10.4855 10.4855 10.5099 10.5099 12.9990 12.9990 13.1058 13.1058 14.4232 14.4232 k =-0.2906 0.7213 0.7518 ( 2844 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5258 -12.5258 -12.5213 -12.5213 -11.2182 -11.2182 -11.1166 -11.1166 -11.0723 -11.0723 -10.9734 -10.9734 2.9110 2.9110 2.9292 2.9292 7.2787 7.2787 7.2907 7.2907 8.6511 8.6511 8.6828 8.6828 10.4898 10.4898 10.5058 10.5058 13.0520 13.0520 13.0524 13.0524 14.4542 14.4542 k =-0.2906 0.7213 0.7518 ( 2844 PWs) bands (ev): -31.4263 -31.4263 -31.4263 -31.4263 -12.5258 -12.5258 -12.5213 -12.5213 -11.2182 -11.2182 -11.1166 -11.1166 -11.0723 -11.0723 -10.9734 -10.9734 2.9110 2.9110 2.9292 2.9292 7.2787 7.2787 7.2907 7.2907 8.6511 8.6511 8.6828 8.6828 10.4898 10.4898 10.5058 10.5058 13.0520 13.0520 13.0524 13.0524 14.4542 14.4542 k =-0.2973 0.7045 0.7518 ( 2848 PWs) bands (ev): -31.4264 -31.4264 -31.4264 -31.4264 -12.5258 -12.5258 -12.5213 -12.5213 -11.2195 -11.2195 -11.1185 -11.1185 -11.0694 -11.0694 -10.9710 -10.9710 2.9183 2.9183 2.9371 2.9371 7.2454 7.2454 7.2569 7.2569 8.6714 8.6714 8.7035 8.7035 10.5000 10.5000 10.5151 10.5151 12.9496 12.9496 12.9499 12.9499 14.5743 14.5743 k =-0.3041 0.6878 0.7518 ( 2848 PWs) bands (ev): -31.4264 -31.4264 -31.4264 -31.4264 -12.5257 -12.5257 -12.5213 -12.5213 -11.2206 -11.2206 -11.1206 -11.1206 -11.0662 -11.0662 -10.9686 -10.9686 2.9255 2.9255 2.9450 2.9450 7.2128 7.2128 7.2240 7.2240 8.6917 8.6917 8.7240 8.7240 10.5118 10.5118 10.5260 10.5260 12.8465 12.8465 12.8468 12.8468 14.6933 14.6933 k =-0.3108 0.6710 0.7518 ( 2852 PWs) bands (ev): -31.4265 -31.4265 -31.4265 -31.4265 -12.5256 -12.5256 -12.5213 -12.5213 -11.2216 -11.2216 -11.1228 -11.1228 -11.0628 -11.0628 -10.9662 -10.9662 2.9325 2.9325 2.9526 2.9526 7.1812 7.1812 7.1921 7.1921 8.7117 8.7117 8.7441 8.7441 10.5256 10.5256 10.5389 10.5389 12.7432 12.7432 12.7435 12.7435 14.8076 14.8076 k =-0.3176 0.6542 0.7518 ( 2860 PWs) bands (ev): -31.4266 -31.4266 -31.4266 -31.4266 -12.5255 -12.5255 -12.5212 -12.5212 -11.2223 -11.2223 -11.1251 -11.1251 -11.0592 -11.0592 -10.9640 -10.9640 2.9394 2.9394 2.9600 2.9600 7.1507 7.1507 7.1614 7.1614 8.7315 8.7315 8.7637 8.7637 10.5417 10.5417 10.5542 10.5542 12.6400 12.6400 12.6402 12.6402 14.9126 14.9126 k =-0.3243 0.6375 0.7518 ( 2860 PWs) bands (ev): -31.4267 -31.4267 -31.4267 -31.4267 -12.5253 -12.5253 -12.5212 -12.5212 -11.2229 -11.2229 -11.1274 -11.1274 -11.0554 -11.0554 -10.9618 -10.9618 2.9460 2.9460 2.9670 2.9670 7.1215 7.1215 7.1320 7.1320 8.7507 8.7507 8.7827 8.7827 10.5606 10.5606 10.5724 10.5724 12.5371 12.5371 12.5373 12.5373 15.0025 15.0025 k =-0.3311 0.6207 0.7518 ( 2868 PWs) bands (ev): -31.4268 -31.4268 -31.4268 -31.4268 -12.5251 -12.5251 -12.5211 -12.5211 -11.2234 -11.2234 -11.1298 -11.1298 -11.0516 -11.0516 -10.9597 -10.9597 2.9524 2.9524 2.9737 2.9737 7.0937 7.0937 7.1041 7.1041 8.7694 8.7694 8.8009 8.8009 10.5827 10.5827 10.5938 10.5938 12.4346 12.4346 12.4349 12.4349 15.0704 15.0704 k =-0.3379 0.6039 0.7518 ( 2864 PWs) bands (ev): -31.4269 -31.4269 -31.4269 -31.4269 -12.5249 -12.5249 -12.5209 -12.5209 -11.2236 -11.2236 -11.1322 -11.1322 -11.0476 -11.0476 -10.9577 -10.9577 2.9584 2.9584 2.9801 2.9801 7.0674 7.0674 7.0777 7.0777 8.7875 8.7875 8.8184 8.8184 10.6082 10.6082 10.6187 10.6187 12.3328 12.3328 12.3331 12.3331 15.1101 15.1101 k =-0.3446 0.5871 0.7518 ( 2872 PWs) bands (ev): -31.4270 -31.4270 -31.4270 -31.4270 -12.5247 -12.5247 -12.5208 -12.5208 -11.2237 -11.2237 -11.1347 -11.1347 -11.0435 -11.0435 -10.9558 -10.9558 2.9641 2.9641 2.9860 2.9860 7.0426 7.0426 7.0529 7.0529 8.8049 8.8049 8.8350 8.8350 10.6374 10.6374 10.6473 10.6473 12.2318 12.2318 12.2321 12.2321 15.1176 15.1176 k =-0.3514 0.5704 0.7518 ( 2872 PWs) bands (ev): -31.4271 -31.4271 -31.4271 -31.4271 -12.5244 -12.5244 -12.5207 -12.5207 -11.2236 -11.2236 -11.1371 -11.1371 -11.0393 -11.0393 -10.9541 -10.9541 2.9695 2.9695 2.9914 2.9914 7.0196 7.0196 7.0299 7.0299 8.8216 8.8216 8.8509 8.8509 10.6706 10.6706 10.6799 10.6799 12.1318 12.1318 12.1321 12.1321 15.0930 15.0930 k =-0.3581 0.5536 0.7518 ( 2872 PWs) bands (ev): -31.4272 -31.4272 -31.4272 -31.4272 -12.5241 -12.5241 -12.5205 -12.5205 -11.2234 -11.2234 -11.1396 -11.1396 -11.0351 -11.0351 -10.9524 -10.9524 2.9744 2.9744 2.9963 2.9963 6.9982 6.9982 7.0085 7.0085 8.8377 8.8377 8.8659 8.8659 10.7080 10.7080 10.7166 10.7166 12.0328 12.0328 12.0332 12.0332 15.0392 15.0397 k =-0.3649 0.5368 0.7518 ( 2872 PWs) bands (ev): -31.4273 -31.4273 -31.4273 -31.4273 -12.5238 -12.5238 -12.5203 -12.5203 -11.2230 -11.2230 -11.1421 -11.1421 -11.0308 -11.0308 -10.9509 -10.9509 2.9789 2.9789 3.0007 3.0007 6.9786 6.9786 6.9888 6.9888 8.8531 8.8531 8.8803 8.8803 10.7496 10.7496 10.7577 10.7577 11.9352 11.9352 11.9356 11.9356 14.9582 14.9582 k =-0.3716 0.5201 0.7518 ( 2876 PWs) bands (ev): -31.4274 -31.4274 -31.4274 -31.4274 -12.5235 -12.5235 -12.5201 -12.5201 -11.2224 -11.2224 -11.1446 -11.1446 -11.0265 -11.0265 -10.9496 -10.9496 2.9830 2.9830 3.0046 3.0046 6.9608 6.9608 6.9709 6.9709 8.8680 8.8680 8.8940 8.8940 10.7955 10.7955 10.8031 10.8031 11.8391 11.8391 11.8394 11.8394 14.8614 14.8614 k =-0.3784 0.5033 0.7518 ( 2880 PWs) bands (ev): -31.4275 -31.4275 -31.4275 -31.4275 -12.5232 -12.5232 -12.5200 -12.5200 -11.2217 -11.2217 -11.1471 -11.1471 -11.0222 -11.0222 -10.9483 -10.9483 2.9867 2.9867 3.0079 3.0079 6.9447 6.9447 6.9548 6.9548 8.8825 8.8825 8.9072 8.9072 10.8458 10.8458 10.8529 10.8529 11.7446 11.7446 11.7449 11.7449 14.7531 14.7531 k =-0.3852 0.4865 0.7518 ( 2878 PWs) bands (ev): -31.4276 -31.4276 -31.4276 -31.4276 -12.5229 -12.5229 -12.5198 -12.5198 -11.2209 -11.2209 -11.1496 -11.1496 -11.0179 -11.0179 -10.9473 -10.9473 2.9899 2.9899 3.0107 3.0107 6.9303 6.9303 6.9403 6.9403 8.8967 8.8967 8.9201 8.9201 10.9004 10.9004 10.9070 10.9070 11.6520 11.6520 11.6523 11.6523 14.6367 14.6367 k =-0.3919 0.4698 0.7518 ( 2882 PWs) bands (ev): -31.4277 -31.4277 -31.4277 -31.4277 -12.5226 -12.5226 -12.5196 -12.5196 -11.2199 -11.2199 -11.1521 -11.1521 -11.0136 -11.0136 -10.9463 -10.9463 2.9928 2.9928 3.0130 3.0130 6.9176 6.9176 6.9274 6.9274 8.9106 8.9106 8.9326 8.9326 10.9594 10.9594 10.9655 10.9655 11.5617 11.5617 11.5618 11.5618 14.5143 14.5143 k =-0.3987 0.4530 0.7518 ( 2882 PWs) bands (ev): -31.4278 -31.4278 -31.4278 -31.4278 -12.5222 -12.5222 -12.5195 -12.5195 -11.2188 -11.2188 -11.1546 -11.1546 -11.0093 -11.0093 -10.9456 -10.9456 2.9952 2.9952 3.0147 3.0147 6.9065 6.9065 6.9160 6.9160 8.9244 8.9244 8.9451 8.9451 11.0225 11.0225 11.0282 11.0282 11.4738 11.4738 11.4738 11.4738 14.3878 14.3878 k =-0.4054 0.4362 0.7518 ( 2870 PWs) bands (ev): -31.4279 -31.4279 -31.4279 -31.4279 -12.5219 -12.5219 -12.5193 -12.5193 -11.2176 -11.2176 -11.1571 -11.1571 -11.0051 -11.0051 -10.9450 -10.9450 2.9972 2.9972 3.0160 3.0160 6.8969 6.8969 6.9062 6.9062 8.9382 8.9382 8.9575 8.9575 11.0897 11.0897 11.0948 11.0948 11.3886 11.3886 11.3889 11.3889 14.2585 14.2585 k =-0.4122 0.4194 0.7518 ( 2866 PWs) bands (ev): -31.4280 -31.4280 -31.4280 -31.4280 -12.5216 -12.5216 -12.5192 -12.5192 -11.2162 -11.2162 -11.1595 -11.1595 -11.0009 -11.0009 -10.9446 -10.9446 2.9990 2.9990 3.0169 3.0169 6.8887 6.8887 6.8977 6.8977 8.9521 8.9521 8.9700 8.9700 11.1600 11.1600 11.1639 11.1639 11.3071 11.3071 11.3085 11.3085 14.1275 14.1275 k =-0.4189 0.4027 0.7518 ( 2862 PWs) bands (ev): -31.4281 -31.4281 -31.4281 -31.4281 -12.5213 -12.5213 -12.5190 -12.5190 -11.2148 -11.2148 -11.1620 -11.1620 -10.9968 -10.9968 -10.9444 -10.9444 3.0004 3.0004 3.0174 3.0174 6.8818 6.8818 6.8904 6.8904 8.9661 8.9661 8.9825 8.9825 11.2079 11.2079 11.2115 11.2115 11.2518 11.2518 11.2606 11.2606 13.9954 13.9954 k =-0.4257 0.3859 0.7518 ( 2858 PWs) bands (ev): -31.4282 -31.4282 -31.4282 -31.4282 -12.5210 -12.5210 -12.5189 -12.5189 -11.2132 -11.2132 -11.1645 -11.1645 -10.9928 -10.9928 -10.9443 -10.9443 3.0015 3.0015 3.0175 3.0175 6.8762 6.8762 6.8843 6.8843 8.9801 8.9801 8.9952 8.9952 11.1457 11.1457 11.1473 11.1473 11.3196 11.3196 11.3263 11.3263 13.8630 13.8630 k =-0.4324 0.3691 0.7518 ( 2848 PWs) bands (ev): -31.4282 -31.4282 -31.4282 -31.4282 -12.5207 -12.5207 -12.5188 -12.5188 -11.2115 -11.2115 -11.1670 -11.1670 -10.9888 -10.9888 -10.9445 -10.9445 3.0025 3.0025 3.0172 3.0172 6.8716 6.8716 6.8792 6.8792 8.9942 8.9942 9.0079 9.0079 11.0756 11.0756 11.0765 11.0765 11.4016 11.4016 11.4077 11.4077 13.7308 13.7308 k =-0.4392 0.3524 0.7518 ( 2848 PWs) bands (ev): -31.4283 -31.4283 -31.4283 -31.4283 -12.5204 -12.5204 -12.5187 -12.5187 -11.2098 -11.2098 -11.1694 -11.1694 -10.9850 -10.9850 -10.9448 -10.9448 3.0032 3.0032 3.0168 3.0168 6.8679 6.8679 6.8749 6.8749 9.0082 9.0082 9.0205 9.0205 11.0090 11.0090 11.0097 11.0097 11.4877 11.4877 11.4936 11.4936 13.5992 13.5992 k =-0.4460 0.3356 0.7518 ( 2852 PWs) bands (ev): -31.4284 -31.4284 -31.4284 -31.4284 -12.5202 -12.5202 -12.5186 -12.5186 -11.2079 -11.2079 -11.1719 -11.1719 -10.9813 -10.9813 -10.9454 -10.9454 3.0038 3.0038 3.0161 3.0161 6.8651 6.8651 6.8715 6.8715 9.0220 9.0220 9.0329 9.0329 10.9471 10.9471 10.9476 10.9476 11.5772 11.5772 11.5829 11.5829 13.4687 13.4687 k =-0.4527 0.3188 0.7518 ( 2852 PWs) bands (ev): -31.4284 -31.4284 -31.4284 -31.4284 -12.5200 -12.5200 -12.5186 -12.5186 -11.2060 -11.2060 -11.1743 -11.1743 -10.9777 -10.9777 -10.9462 -10.9462 3.0044 3.0044 3.0152 3.0152 6.8630 6.8630 6.8687 6.8687 9.0354 9.0354 9.0449 9.0449 10.8906 10.8906 10.8910 10.8910 11.6697 11.6697 11.6754 11.6754 13.3399 13.3399 k =-0.4595 0.3020 0.7518 ( 2852 PWs) bands (ev): -31.4285 -31.4285 -31.4285 -31.4285 -12.5197 -12.5197 -12.5186 -12.5186 -11.2040 -11.2040 -11.1768 -11.1768 -10.9743 -10.9743 -10.9471 -10.9471 3.0049 3.0049 3.0143 3.0143 6.8615 6.8615 6.8665 6.8665 9.0480 9.0480 9.0562 9.0562 10.8401 10.8401 10.8403 10.8403 11.7647 11.7647 11.7705 11.7705 13.2131 13.2131 k =-0.4662 0.2853 0.7518 ( 2852 PWs) bands (ev): -31.4285 -31.4285 -31.4285 -31.4285 -12.5195 -12.5195 -12.5185 -12.5185 -11.2020 -11.2020 -11.1792 -11.1792 -10.9710 -10.9710 -10.9483 -10.9483 3.0053 3.0053 3.0133 3.0133 6.8604 6.8604 6.8647 6.8647 9.0596 9.0596 9.0665 9.0665 10.7961 10.7961 10.7963 10.7963 11.8618 11.8618 11.8676 11.8676 13.0892 13.0892 k =-0.4730 0.2685 0.7518 ( 2848 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5193 -12.5193 -12.5185 -12.5185 -11.1999 -11.1999 -11.1816 -11.1816 -10.9679 -10.9679 -10.9497 -10.9497 3.0058 3.0058 3.0122 3.0122 6.8598 6.8598 6.8633 6.8633 9.0699 9.0699 9.0754 9.0754 10.7592 10.7592 10.7593 10.7593 11.9598 11.9598 11.9657 11.9657 12.9691 12.9691 k =-0.4797 0.2517 0.7518 ( 2844 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5192 -12.5192 -12.5186 -12.5186 -11.1977 -11.1977 -11.1840 -11.1840 -10.9650 -10.9650 -10.9513 -10.9513 3.0063 3.0063 3.0112 3.0112 6.8595 6.8595 6.8621 6.8621 9.0785 9.0785 9.0826 9.0826 10.7298 10.7298 10.7299 10.7299 12.0570 12.0570 12.0627 12.0627 12.8550 12.8550 k =-0.4865 0.2350 0.7518 ( 2844 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5190 -12.5190 -12.5186 -12.5186 -11.1955 -11.1955 -11.1864 -11.1864 -10.9622 -10.9622 -10.9530 -10.9530 3.0069 3.0069 3.0102 3.0102 6.8595 6.8595 6.8613 6.8613 9.0850 9.0850 9.0878 9.0878 10.7085 10.7085 10.7086 10.7086 12.1490 12.1490 12.1543 12.1543 12.7514 12.7514 k =-0.4932 0.2182 0.7518 ( 2844 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5189 -12.5189 -12.5187 -12.5187 -11.1933 -11.1933 -11.1887 -11.1887 -10.9596 -10.9596 -10.9550 -10.9550 3.0076 3.0076 3.0092 3.0092 6.8597 6.8597 6.8606 6.8606 9.0894 9.0894 9.0907 9.0907 10.6956 10.6956 10.6956 10.6956 12.2250 12.2250 12.2287 12.2287 12.6699 12.6699 k =-0.5000 0.2014 0.7518 ( 2840 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5188 -12.5188 -12.5188 -12.5188 -11.1910 -11.1910 -11.1910 -11.1910 -10.9572 -10.9572 -10.9572 -10.9572 3.0084 3.0084 3.0084 3.0084 6.8600 6.8600 6.8600 6.8600 9.0913 9.0913 9.0913 9.0913 10.6913 10.6913 10.6913 10.6913 12.2592 12.2592 12.2592 12.2592 12.6373 12.6373 k =-0.5000 0.2014 0.7518 ( 2840 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5188 -12.5188 -12.5188 -12.5188 -11.1910 -11.1910 -11.1910 -11.1910 -10.9572 -10.9572 -10.9572 -10.9572 3.0084 3.0084 3.0084 3.0084 6.8600 6.8600 6.8600 6.8600 9.0913 9.0913 9.0913 9.0913 10.6913 10.6913 10.6913 10.6913 12.2592 12.2592 12.2592 12.2592 12.6373 12.6373 k =-0.5000 0.2014 0.7339 ( 2844 PWs) bands (ev): -31.4289 -31.4289 -31.4284 -31.4284 -12.5195 -12.5195 -12.5179 -12.5179 -11.1926 -11.1926 -11.1891 -11.1891 -10.9587 -10.9587 -10.9558 -10.9558 2.9072 2.9072 3.1110 3.1110 6.7657 6.7657 6.9557 6.9557 9.0639 9.0639 9.1207 9.1207 10.6352 10.6352 10.7476 10.7476 12.1907 12.1907 12.3303 12.3303 12.5933 12.5933 k =-0.5000 0.2014 0.7160 ( 2844 PWs) bands (ev): -31.4292 -31.4292 -31.4282 -31.4282 -12.5200 -12.5200 -12.5168 -12.5168 -11.1940 -11.1940 -11.1869 -11.1869 -10.9603 -10.9603 -10.9544 -10.9544 2.8077 2.8077 3.2150 3.2150 6.6730 6.6730 7.0525 7.0525 9.0386 9.0386 9.1523 9.1523 10.5796 10.5796 10.8041 10.8041 12.1251 12.1251 12.4039 12.4039 12.5534 12.5534 k =-0.5000 0.2014 0.6981 ( 2840 PWs) bands (ev): -31.4295 -31.4295 -31.4281 -31.4281 -12.5204 -12.5204 -12.5156 -12.5156 -11.1950 -11.1950 -11.1845 -11.1845 -10.9619 -10.9619 -10.9531 -10.9531 2.7099 2.7099 3.3200 3.3200 6.5822 6.5822 7.1499 7.1499 9.0151 9.0151 9.1861 9.1861 10.5245 10.5245 10.8608 10.8608 12.0625 12.0625 12.4799 12.4799 12.5176 12.5176 k =-0.5000 0.2014 0.6802 ( 2840 PWs) bands (ev): -31.4298 -31.4298 -31.4280 -31.4280 -12.5206 -12.5206 -12.5142 -12.5142 -11.1958 -11.1958 -11.1818 -11.1818 -10.9635 -10.9635 -10.9518 -10.9518 2.6139 2.6139 3.4259 3.4259 6.4939 6.4939 7.2478 7.2478 8.9933 8.9933 9.2224 9.2224 10.4700 10.4700 10.9176 10.9176 12.0031 12.0031 12.4852 12.4852 12.5583 12.5583 k =-0.5000 0.2014 0.6623 ( 2844 PWs) bands (ev): -31.4302 -31.4302 -31.4279 -31.4279 -12.5206 -12.5206 -12.5126 -12.5126 -11.1963 -11.1963 -11.1788 -11.1788 -10.9652 -10.9652 -10.9505 -10.9505 2.5198 2.5198 3.5323 3.5323 6.4084 6.4084 7.3458 7.3458 8.9732 8.9732 9.2610 9.2610 10.4163 10.4163 10.9745 10.9745 11.9469 11.9469 12.4567 12.4567 12.6385 12.6385 k =-0.5000 0.2014 0.6444 ( 2844 PWs) bands (ev): -31.4306 -31.4306 -31.4278 -31.4278 -12.5205 -12.5205 -12.5109 -12.5109 -11.1965 -11.1965 -11.1756 -11.1756 -10.9669 -10.9669 -10.9493 -10.9493 2.4277 2.4277 3.6389 3.6389 6.3261 6.3261 7.4435 7.4435 8.9546 8.9546 9.3021 9.3021 10.3636 10.3636 11.0316 11.0316 11.8942 11.8942 12.4314 12.4314 12.7206 12.7206 k =-0.5000 0.2014 0.6265 ( 2842 PWs) bands (ev): -31.4310 -31.4310 -31.4278 -31.4278 -12.5202 -12.5202 -12.5091 -12.5091 -11.1964 -11.1964 -11.1721 -11.1721 -10.9687 -10.9687 -10.9482 -10.9482 2.3377 2.3377 3.7451 3.7451 6.2478 6.2478 7.5406 7.5406 8.9373 8.9373 9.3458 9.3458 10.3120 10.3120 11.0888 11.0888 11.8450 11.8450 12.4090 12.4090 12.8044 12.8044 k =-0.5000 0.2014 0.6086 ( 2850 PWs) bands (ev): -31.4315 -31.4315 -31.4278 -31.4278 -12.5197 -12.5197 -12.5071 -12.5071 -11.1960 -11.1960 -11.1684 -11.1684 -10.9704 -10.9704 -10.9471 -10.9471 2.2497 2.2497 3.8503 3.8503 6.1740 6.1740 7.6368 7.6368 8.9213 8.9213 9.3921 9.3921 10.2619 10.2619 11.1461 11.1461 11.7996 11.7996 12.3892 12.3892 12.8896 12.8896 k =-0.5000 0.2014 0.5907 ( 2850 PWs) bands (ev): -31.4320 -31.4320 -31.4278 -31.4278 -12.5191 -12.5191 -12.5050 -12.5050 -11.1954 -11.1954 -11.1646 -11.1646 -10.9723 -10.9723 -10.9461 -10.9461 2.1639 2.1639 3.9537 3.9537 6.1058 6.1058 7.7315 7.7315 8.9065 8.9065 9.4411 9.4411 10.2135 10.2135 11.2036 11.2036 11.7580 11.7580 12.3717 12.3717 12.9762 12.9762 k =-0.5000 0.2014 0.5728 ( 2850 PWs) bands (ev): -31.4325 -31.4325 -31.4279 -31.4279 -12.5184 -12.5184 -12.5027 -12.5027 -11.1945 -11.1945 -11.1605 -11.1605 -10.9741 -10.9741 -10.9451 -10.9451 2.0803 2.0803 4.0542 4.0542 6.0443 6.0443 7.8244 7.8244 8.8926 8.8926 9.4929 9.4929 10.1669 10.1669 11.2613 11.2613 11.7204 11.7204 12.3561 12.3561 13.0638 13.0638 k =-0.5000 0.2014 0.5549 ( 2854 PWs) bands (ev): -31.4330 -31.4330 -31.4279 -31.4279 -12.5175 -12.5175 -12.5004 -12.5004 -11.1933 -11.1933 -11.1562 -11.1562 -10.9759 -10.9759 -10.9442 -10.9442 1.9989 1.9989 4.1504 4.1504 5.9909 5.9909 7.9150 7.9150 8.8795 8.8795 9.5473 9.5473 10.1225 10.1225 11.3192 11.3192 11.6869 11.6869 12.3419 12.3419 13.1522 13.1522 k =-0.5000 0.2014 0.5370 ( 2856 PWs) bands (ev): -31.4335 -31.4335 -31.4281 -31.4281 -12.5166 -12.5166 -12.4980 -12.4980 -11.1919 -11.1919 -11.1518 -11.1518 -10.9778 -10.9778 -10.9433 -10.9433 1.9198 1.9198 4.2406 4.2406 5.9473 5.9473 8.0027 8.0027 8.8672 8.8672 9.6046 9.6046 10.0805 10.0805 11.3772 11.3772 11.6576 11.6576 12.3287 12.3287 13.2412 13.2412 k =-0.5000 0.2014 0.5191 ( 2856 PWs) bands (ev): -31.4341 -31.4341 -31.4282 -31.4282 -12.5155 -12.5155 -12.4955 -12.4955 -11.1903 -11.1903 -11.1472 -11.1472 -10.9796 -10.9796 -10.9425 -10.9425 1.8430 1.8430 4.3228 4.3228 5.9158 5.9158 8.0869 8.0869 8.8556 8.8556 9.6648 9.6648 10.0412 10.0412 11.4350 11.4350 11.6329 11.6329 12.3164 12.3164 13.3305 13.3305 k =-0.5000 0.2014 0.5012 ( 2854 PWs) bands (ev): -31.4347 -31.4347 -31.4283 -31.4283 -12.5143 -12.5143 -12.4929 -12.4929 -11.1884 -11.1884 -11.1425 -11.1425 -10.9814 -10.9814 -10.9417 -10.9417 1.7685 1.7685 4.3946 4.3946 5.8986 5.8986 8.1670 8.1670 8.8444 8.8444 9.7278 9.7278 10.0048 10.0048 11.4922 11.4922 11.6134 11.6134 12.3046 12.3046 13.4197 13.4197 k =-0.5000 0.2014 0.4833 ( 2856 PWs) bands (ev): -31.4352 -31.4352 -31.4285 -31.4285 -12.5130 -12.5130 -12.4903 -12.4903 -11.1862 -11.1862 -11.1377 -11.1377 -10.9833 -10.9833 -10.9409 -10.9409 1.6964 1.6964 4.4538 4.4538 5.8981 5.8981 8.2425 8.2425 8.8336 8.8336 9.7936 9.7936 9.9716 9.9716 11.5453 11.5453 11.6023 11.6023 12.2933 12.2933 13.4867 13.4867 k =-0.5000 0.2014 0.4654 ( 2854 PWs) bands (ev): -31.4358 -31.4358 -31.4287 -31.4287 -12.5117 -12.5117 -12.4876 -12.4876 -11.1839 -11.1839 -11.1329 -11.1329 -10.9850 -10.9850 -10.9402 -10.9402 1.6267 1.6267 4.4985 4.4985 5.9161 5.9161 8.3126 8.3126 8.8232 8.8232 9.8624 9.8624 9.9418 9.9418 11.5700 11.5700 11.6238 11.6238 12.2826 12.2826 13.4122 13.4122 k =-0.5000 0.2014 0.4475 ( 2850 PWs) bands (ev): -31.4364 -31.4364 -31.4289 -31.4289 -12.5103 -12.5103 -12.4850 -12.4850 -11.1814 -11.1814 -11.1280 -11.1280 -10.9868 -10.9868 -10.9395 -10.9395 1.5593 1.5593 4.5279 4.5279 5.9535 5.9535 8.3768 8.3768 8.8129 8.8129 9.9153 9.9153 9.9341 9.9341 11.5680 11.5680 11.6759 11.6759 12.2728 12.2728 13.3103 13.3103 k =-0.5000 0.2014 0.4296 ( 2854 PWs) bands (ev): -31.4370 -31.4370 -31.4291 -31.4291 -12.5088 -12.5088 -12.4823 -12.4823 -11.1787 -11.1787 -11.1231 -11.1231 -10.9885 -10.9885 -10.9389 -10.9389 1.4944 1.4944 4.5424 4.5424 6.0100 6.0100 8.4346 8.4346 8.8029 8.8029 9.8925 9.8925 10.0086 10.0086 11.5659 11.5659 11.7316 11.7316 12.2645 12.2645 13.1978 13.1978 k =-0.5000 0.2014 0.4117 ( 2854 PWs) bands (ev): -31.4376 -31.4376 -31.4294 -31.4294 -12.5073 -12.5073 -12.4796 -12.4796 -11.1759 -11.1759 -11.1182 -11.1182 -10.9901 -10.9901 -10.9382 -10.9382 1.4320 1.4320 4.5434 4.5434 6.0841 6.0841 8.4857 8.4857 8.7930 8.7930 9.8731 9.8731 10.0861 10.0861 11.5671 11.5671 11.7865 11.7865 12.2583 12.2583 13.0821 13.0821 k =-0.5000 0.2014 0.3938 ( 2858 PWs) bands (ev): -31.4382 -31.4382 -31.4296 -31.4296 -12.5058 -12.5058 -12.4769 -12.4769 -11.1729 -11.1729 -11.1133 -11.1133 -10.9917 -10.9917 -10.9376 -10.9376 1.3720 1.3720 4.5333 4.5333 6.1735 6.1735 8.5296 8.5296 8.7832 8.7832 9.8568 9.8568 10.1665 10.1665 11.5723 11.5723 11.8390 11.8390 12.2551 12.2551 12.9673 12.9673 k =-0.5000 0.2014 0.3759 ( 2854 PWs) bands (ev): -31.4388 -31.4388 -31.4299 -31.4299 -12.5043 -12.5043 -12.4743 -12.4743 -11.1698 -11.1698 -11.1086 -11.1086 -10.9931 -10.9931 -10.9371 -10.9371 1.3146 1.3146 4.5143 4.5143 6.2759 6.2759 8.5665 8.5665 8.7734 8.7734 9.8433 9.8433 10.2497 10.2497 11.5814 11.5814 11.8870 11.8870 12.2558 12.2558 12.8566 12.8566 k =-0.5000 0.2014 0.3580 ( 2846 PWs) bands (ev): -31.4394 -31.4394 -31.4301 -31.4301 -12.5027 -12.5027 -12.4717 -12.4717 -11.1666 -11.1666 -11.1040 -11.1040 -10.9944 -10.9944 -10.9365 -10.9365 1.2596 1.2596 4.4889 4.4889 6.3889 6.3889 8.5965 8.5965 8.7638 8.7638 9.8320 9.8320 10.3359 10.3359 11.5944 11.5944 11.9273 11.9273 12.2614 12.2614 12.7536 12.7536 k =-0.5000 0.2014 0.3401 ( 2846 PWs) bands (ev): -31.4400 -31.4400 -31.4304 -31.4304 -12.5012 -12.5012 -12.4691 -12.4691 -11.1633 -11.1633 -11.0995 -11.0995 -10.9956 -10.9956 -10.9360 -10.9360 1.2073 1.2073 4.4588 4.4588 6.5105 6.5105 8.6200 8.6200 8.7541 8.7541 9.8223 9.8223 10.4250 10.4250 11.6111 11.6111 11.9547 11.9547 12.2726 12.2726 12.6637 12.6637 k =-0.5000 0.2014 0.3222 ( 2854 PWs) bands (ev): -31.4405 -31.4405 -31.4307 -31.4307 -12.4997 -12.4997 -12.4666 -12.4666 -11.1599 -11.1599 -11.0953 -11.0953 -10.9967 -10.9967 -10.9355 -10.9355 1.1574 1.1574 4.4258 4.4258 6.6393 6.6393 8.6374 8.6374 8.7446 8.7446 9.8134 9.8134 10.5169 10.5169 11.6314 11.6314 11.9615 11.9615 12.2900 12.2900 12.5945 12.5945 k =-0.5000 0.2014 0.3043 ( 2862 PWs) bands (ev): -31.4411 -31.4411 -31.4309 -31.4309 -12.4983 -12.4983 -12.4642 -12.4642 -11.1565 -11.1565 -11.0913 -11.0913 -10.9975 -10.9975 -10.9351 -10.9351 1.1102 1.1102 4.3910 4.3910 6.7738 6.7738 8.6497 8.6497 8.7352 8.7352 9.8048 9.8048 10.6117 10.6117 11.6550 11.6550 11.9398 11.9398 12.3139 12.3139 12.5540 12.5540 k =-0.5000 0.2014 0.2864 ( 2858 PWs) bands (ev): -31.4416 -31.4416 -31.4312 -31.4312 -12.4968 -12.4968 -12.4619 -12.4619 -11.1531 -11.1531 -11.0876 -11.0876 -10.9982 -10.9982 -10.9346 -10.9346 1.0655 1.0655 4.3555 4.3555 6.9131 6.9131 8.6573 8.6573 8.7259 8.7259 9.7959 9.7959 10.7092 10.7092 11.6816 11.6816 11.8867 11.8867 12.3444 12.3444 12.5445 12.5445 k =-0.5000 0.2014 0.2685 ( 2858 PWs) bands (ev): -31.4421 -31.4421 -31.4315 -31.4315 -12.4954 -12.4954 -12.4597 -12.4597 -11.1497 -11.1497 -11.0842 -11.0842 -10.9986 -10.9986 -10.9342 -10.9342 1.0235 1.0235 4.3199 4.3199 7.0561 7.0561 8.6612 8.6612 8.7168 8.7168 9.7863 9.7863 10.8095 10.8095 11.7108 11.7108 11.8075 11.8075 12.3819 12.3819 12.5604 12.5604 k =-0.5000 0.2014 0.2506 ( 2866 PWs) bands (ev): -31.4427 -31.4427 -31.4317 -31.4317 -12.4941 -12.4941 -12.4575 -12.4575 -11.1463 -11.1463 -11.0812 -11.0812 -10.9988 -10.9988 -10.9338 -10.9338 0.9840 0.9840 4.2850 4.2850 7.2023 7.2023 8.6620 8.6620 8.7078 8.7078 9.7758 9.7758 10.9126 10.9126 11.7075 11.7075 11.7449 11.7449 12.4261 12.4261 12.5929 12.5929 k =-0.5000 0.2014 0.2327 ( 2866 PWs) bands (ev): -31.4431 -31.4431 -31.4320 -31.4320 -12.4928 -12.4928 -12.4555 -12.4555 -11.1430 -11.1430 -11.0786 -11.0786 -10.9988 -10.9988 -10.9334 -10.9334 0.9473 0.9473 4.2511 4.2511 7.3509 7.3509 8.6605 8.6605 8.6991 8.6991 9.7643 9.7643 11.0182 11.0182 11.5992 11.5992 11.7775 11.7775 12.4765 12.4765 12.6348 12.6348 k =-0.5000 0.2014 0.2148 ( 2876 PWs) bands (ev): -31.4436 -31.4436 -31.4322 -31.4322 -12.4916 -12.4916 -12.4536 -12.4536 -11.1397 -11.1397 -11.0764 -11.0764 -10.9985 -10.9985 -10.9331 -10.9331 0.9131 0.9131 4.2187 4.2187 7.5014 7.5014 8.6573 8.6573 8.6907 8.6907 9.7519 9.7519 11.1263 11.1263 11.4821 11.4821 11.8128 11.8128 12.5325 12.5325 12.6816 12.6816 k =-0.5000 0.2014 0.1969 ( 2872 PWs) bands (ev): -31.4440 -31.4440 -31.4324 -31.4324 -12.4905 -12.4905 -12.4519 -12.4519 -11.1365 -11.1365 -11.0746 -11.0746 -10.9980 -10.9980 -10.9328 -10.9328 0.8817 0.8817 4.1881 4.1881 7.6531 7.6531 8.6528 8.6528 8.6825 8.6825 9.7389 9.7389 11.2357 11.2357 11.3609 11.3609 11.8493 11.8493 12.5929 12.5929 12.7303 12.7303 k =-0.5000 0.2014 0.1790 ( 2868 PWs) bands (ev): -31.4444 -31.4444 -31.4326 -31.4326 -12.4894 -12.4894 -12.4502 -12.4502 -11.1335 -11.1335 -11.0732 -11.0732 -10.9974 -10.9974 -10.9325 -10.9325 0.8530 0.8530 4.1595 4.1595 7.8055 7.8055 8.6476 8.6476 8.6749 8.6749 9.7255 9.7255 11.2288 11.2288 11.3547 11.3547 11.8864 11.8864 12.6568 12.6568 12.7788 12.7788 k =-0.5000 0.2014 0.1611 ( 2862 PWs) bands (ev): -31.4447 -31.4447 -31.4328 -31.4328 -12.4885 -12.4885 -12.4487 -12.4487 -11.1306 -11.1306 -11.0722 -11.0722 -10.9966 -10.9966 -10.9322 -10.9322 0.8269 0.8269 4.1331 4.1331 7.9577 7.9577 8.6419 8.6419 8.6677 8.6677 9.7119 9.7119 11.1012 11.1012 11.4691 11.4691 11.9233 11.9233 12.7226 12.7226 12.8258 12.8258 k =-0.5000 0.2014 0.1432 ( 2868 PWs) bands (ev): -31.4451 -31.4451 -31.4330 -31.4330 -12.4876 -12.4876 -12.4474 -12.4474 -11.1278 -11.1278 -11.0715 -11.0715 -10.9957 -10.9957 -10.9320 -10.9320 0.8036 0.8036 4.1091 4.1091 8.1089 8.1089 8.6361 8.6361 8.6611 8.6611 9.6987 9.6987 10.9706 10.9706 11.5872 11.5872 11.9595 11.9595 12.7884 12.7884 12.8705 12.8705 k =-0.5000 0.2014 0.1253 ( 2868 PWs) bands (ev): -31.4453 -31.4453 -31.4332 -31.4332 -12.4868 -12.4868 -12.4462 -12.4462 -11.1253 -11.1253 -11.0710 -11.0710 -10.9947 -10.9947 -10.9318 -10.9318 0.7829 0.7829 4.0876 4.0876 8.2580 8.2580 8.6305 8.6305 8.6551 8.6551 9.6861 9.6861 10.8395 10.8395 11.7079 11.7079 11.9942 11.9942 12.8510 12.8510 12.9136 12.9136 k =-0.5000 0.2014 0.1074 ( 2876 PWs) bands (ev): -31.4456 -31.4456 -31.4333 -31.4333 -12.4861 -12.4861 -12.4451 -12.4451 -11.1230 -11.1230 -11.0708 -11.0708 -10.9938 -10.9938 -10.9316 -10.9316 0.7650 0.7650 4.0688 4.0688 8.4034 8.4034 8.6252 8.6252 8.6499 8.6499 9.6745 9.6745 10.7095 10.7095 11.8309 11.8309 12.0267 12.0267 12.9042 12.9042 12.9587 12.9587 k =-0.5000 0.2014 0.0895 ( 2872 PWs) bands (ev): -31.4458 -31.4458 -31.4334 -31.4334 -12.4855 -12.4855 -12.4442 -12.4442 -11.1209 -11.1209 -11.0708 -11.0708 -10.9929 -10.9929 -10.9314 -10.9314 0.7499 0.7499 4.0528 4.0528 8.5429 8.5429 8.6205 8.6205 8.6454 8.6454 9.6641 9.6641 10.5829 10.5829 11.9558 11.9558 12.0563 12.0563 12.9425 12.9425 13.0089 13.0089 k =-0.5000 0.2014 0.0716 ( 2868 PWs) bands (ev): -31.4460 -31.4460 -31.4335 -31.4335 -12.4851 -12.4851 -12.4435 -12.4435 -11.1192 -11.1192 -11.0708 -11.0708 -10.9921 -10.9921 -10.9313 -10.9313 0.7375 0.7375 4.0395 4.0395 8.6161 8.6161 8.6416 8.6416 8.6738 8.6738 9.6553 9.6553 10.4631 10.4631 12.0741 12.0741 12.0906 12.0906 12.9681 12.9681 13.0593 13.0593 k =-0.5000 0.2014 0.0537 ( 2868 PWs) bands (ev): -31.4461 -31.4461 -31.4336 -31.4336 -12.4847 -12.4847 -12.4429 -12.4429 -11.1178 -11.1178 -11.0709 -11.0709 -10.9914 -10.9914 -10.9312 -10.9312 0.7278 0.7278 4.0292 4.0292 8.6129 8.6129 8.6387 8.6387 8.7900 8.7900 9.6482 9.6482 10.3549 10.3549 12.1011 12.1011 12.2133 12.2133 12.9843 12.9843 13.0257 13.0257 k =-0.5000 0.2014 0.0358 ( 2864 PWs) bands (ev): -31.4462 -31.4462 -31.4337 -31.4337 -12.4844 -12.4844 -12.4425 -12.4425 -11.1168 -11.1168 -11.0710 -11.0710 -10.9909 -10.9909 -10.9311 -10.9311 0.7209 0.7209 4.0217 4.0217 8.6105 8.6105 8.6366 8.6366 8.8849 8.8849 9.6430 9.6430 10.2657 10.2657 12.1167 12.1167 12.3435 12.3435 12.8874 12.8874 12.9981 12.9981 k =-0.5000 0.2014 0.0179 ( 2858 PWs) bands (ev): -31.4463 -31.4463 -31.4337 -31.4337 -12.4843 -12.4843 -12.4422 -12.4422 -11.1162 -11.1162 -11.0711 -11.0711 -10.9906 -10.9906 -10.9311 -10.9311 0.7168 0.7168 4.0173 4.0173 8.6090 8.6090 8.6354 8.6354 8.9486 8.9486 9.6398 9.6398 10.2055 10.2055 12.1262 12.1262 12.4740 12.4740 12.7535 12.7535 13.0041 13.0041 k =-0.5000 0.2014-0.0000 ( 2858 PWs) bands (ev): -31.4463 -31.4463 -31.4337 -31.4337 -12.4842 -12.4842 -12.4422 -12.4422 -11.1160 -11.1160 -11.0712 -11.0712 -10.9905 -10.9905 -10.9311 -10.9311 0.7154 0.7154 4.0158 4.0158 8.6085 8.6085 8.6350 8.6350 8.9713 8.9713 9.6388 9.6388 10.1839 10.1839 12.1294 12.1294 12.5768 12.5768 12.6496 12.6496 13.0061 13.0061 k = 0.0000 0.0000 0.7518 ( 2868 PWs) bands (ev): -31.4288 -31.4288 -31.4288 -31.4288 -12.5027 -12.5027 -12.5027 -12.5027 -11.1164 -11.1164 -11.1164 -11.1164 -11.0487 -11.0487 -11.0487 -11.0487 2.7629 2.7629 2.7629 2.7629 7.7304 7.7304 7.7304 7.7304 8.6453 8.6453 8.6453 8.6453 9.7061 9.7061 9.7061 9.7061 13.7586 13.7586 13.7586 13.7586 14.2672 14.2672 k =-0.0167 0.0067 0.7518 ( 2868 PWs) bands (ev): -31.4288 -31.4288 -31.4288 -31.4288 -12.5028 -12.5028 -12.5028 -12.5028 -11.1169 -11.1169 -11.1169 -11.1169 -11.0482 -11.0482 -11.0482 -11.0482 2.7635 2.7635 2.7635 2.7635 7.7278 7.7278 7.7278 7.7278 8.6463 8.6463 8.6463 8.6463 9.7081 9.7081 9.7081 9.7081 13.7600 13.7600 13.7600 13.7600 14.2559 14.2559 k =-0.0333 0.0134 0.7518 ( 2866 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5029 -12.5029 -12.5029 -12.5029 -11.1183 -11.1183 -11.1183 -11.1183 -11.0467 -11.0467 -11.0467 -11.0467 2.7652 2.7652 2.7652 2.7652 7.7198 7.7198 7.7198 7.7198 8.6492 8.6492 8.6492 8.6492 9.7140 9.7140 9.7140 9.7140 13.7640 13.7640 13.7640 13.7640 14.2231 14.2231 k =-0.0500 0.0201 0.7518 ( 2866 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5031 -12.5031 -12.5031 -12.5031 -11.1205 -11.1205 -11.1205 -11.1205 -11.0442 -11.0442 -11.0442 -11.0442 2.7682 2.7682 2.7682 2.7682 7.7066 7.7066 7.7066 7.7066 8.6541 8.6541 8.6541 8.6541 9.7239 9.7239 9.7239 9.7239 13.7701 13.7701 13.7701 13.7701 14.1715 14.1715 k =-0.0667 0.0269 0.7518 ( 2862 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5034 -12.5034 -12.5034 -12.5034 -11.1233 -11.1233 -11.1233 -11.1233 -11.0411 -11.0411 -11.0411 -11.0411 2.7723 2.7723 2.7723 2.7723 7.6885 7.6885 7.6885 7.6885 8.6610 8.6610 8.6610 8.6610 9.7375 9.7375 9.7375 9.7375 13.7776 13.7776 13.7776 13.7776 14.1046 14.1046 k =-0.0833 0.0336 0.7518 ( 2866 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5038 -12.5038 -12.5038 -12.5038 -11.1266 -11.1266 -11.1266 -11.1266 -11.0374 -11.0374 -11.0374 -11.0374 2.7776 2.7776 2.7776 2.7776 7.6657 7.6657 7.6657 7.6657 8.6697 8.6697 8.6697 8.6697 9.7550 9.7550 9.7550 9.7550 13.7852 13.7852 13.7852 13.7852 14.0263 14.0263 k =-0.1000 0.0403 0.7518 ( 2866 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5043 -12.5043 -12.5043 -12.5043 -11.1302 -11.1302 -11.1302 -11.1302 -11.0333 -11.0333 -11.0333 -11.0333 2.7839 2.7839 2.7839 2.7839 7.6386 7.6386 7.6386 7.6386 8.6802 8.6802 8.6802 8.6802 9.7760 9.7760 9.7760 9.7760 13.7909 13.7909 13.7909 13.7909 13.9404 13.9404 k =-0.1167 0.0470 0.7518 ( 2858 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5048 -12.5048 -12.5048 -12.5048 -11.1340 -11.1340 -11.1340 -11.1340 -11.0289 -11.0289 -11.0289 -11.0289 2.7912 2.7912 2.7912 2.7912 7.6076 7.6076 7.6076 7.6076 8.6926 8.6926 8.6926 8.6926 9.8006 9.8006 9.8006 9.8006 13.7887 13.7887 13.7887 13.7887 13.8539 13.8539 k =-0.1333 0.0537 0.7518 ( 2858 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5054 -12.5054 -12.5054 -12.5054 -11.1380 -11.1380 -11.1380 -11.1380 -11.0244 -11.0244 -11.0244 -11.0244 2.7996 2.7996 2.7996 2.7996 7.5731 7.5731 7.5731 7.5731 8.7066 8.7066 8.7066 8.7066 9.8285 9.8285 9.8285 9.8285 13.7355 13.7355 13.7355 13.7355 13.8098 13.8098 k =-0.1500 0.0604 0.7518 ( 2854 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5061 -12.5061 -12.5061 -12.5061 -11.1419 -11.1419 -11.1419 -11.1419 -11.0197 -11.0197 -11.0197 -11.0197 2.8088 2.8088 2.8088 2.8088 7.5356 7.5356 7.5356 7.5356 8.7223 8.7223 8.7223 8.7223 9.8596 9.8596 9.8596 9.8596 13.6410 13.6410 13.6410 13.6410 13.7981 13.7981 k =-0.1667 0.0671 0.7518 ( 2854 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5068 -12.5068 -12.5068 -12.5068 -11.1459 -11.1459 -11.1459 -11.1459 -11.0150 -11.0150 -11.0150 -11.0150 2.8188 2.8188 2.8188 2.8188 7.4956 7.4956 7.4956 7.4956 8.7394 8.7394 8.7394 8.7394 9.8937 9.8937 9.8937 9.8937 13.5415 13.5415 13.5415 13.5415 13.7818 13.7818 k =-0.1833 0.0739 0.7518 ( 2850 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5075 -12.5075 -12.5075 -12.5075 -11.1499 -11.1499 -11.1499 -11.1499 -11.0102 -11.0102 -11.0102 -11.0102 2.8296 2.8296 2.8296 2.8296 7.4535 7.4535 7.4535 7.4535 8.7579 8.7579 8.7579 8.7579 9.9307 9.9307 9.9307 9.9307 13.4410 13.4410 13.4410 13.4410 13.7560 13.7560 k =-0.2000 0.0806 0.7518 ( 2854 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5083 -12.5083 -12.5083 -12.5083 -11.1537 -11.1537 -11.1537 -11.1537 -11.0056 -11.0056 -11.0056 -11.0056 2.8411 2.8411 2.8411 2.8411 7.4100 7.4100 7.4100 7.4100 8.7777 8.7777 8.7777 8.7777 9.9705 9.9705 9.9705 9.9705 13.3411 13.3411 13.3411 13.3411 13.7194 13.7194 k =-0.2167 0.0873 0.7518 ( 2862 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5091 -12.5091 -12.5091 -12.5091 -11.1574 -11.1574 -11.1574 -11.1574 -11.0010 -11.0010 -11.0010 -11.0010 2.8530 2.8530 2.8530 2.8530 7.3654 7.3654 7.3654 7.3654 8.7986 8.7986 8.7986 8.7986 10.0126 10.0126 10.0126 10.0126 13.2425 13.2425 13.2425 13.2425 13.6718 13.6718 k =-0.2333 0.0940 0.7518 ( 2858 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5099 -12.5099 -12.5099 -12.5099 -11.1610 -11.1610 -11.1610 -11.1610 -10.9965 -10.9965 -10.9965 -10.9965 2.8654 2.8654 2.8654 2.8654 7.3203 7.3203 7.3203 7.3203 8.8204 8.8204 8.8204 8.8204 10.0571 10.0571 10.0571 10.0571 13.1460 13.1460 13.1460 13.1460 13.6140 13.6140 k =-0.2500 0.1007 0.7518 ( 2866 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5108 -12.5108 -12.5108 -12.5108 -11.1645 -11.1645 -11.1645 -11.1645 -10.9922 -10.9922 -10.9922 -10.9922 2.8781 2.8781 2.8781 2.8781 7.2752 7.2752 7.2752 7.2752 8.8430 8.8430 8.8430 8.8430 10.1036 10.1036 10.1036 10.1036 13.0521 13.0521 13.0521 13.0521 13.5476 13.5476 k =-0.2667 0.1074 0.7518 ( 2862 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5116 -12.5116 -12.5116 -12.5116 -11.1678 -11.1678 -11.1678 -11.1678 -10.9880 -10.9880 -10.9880 -10.9880 2.8909 2.8909 2.8909 2.8909 7.2305 7.2305 7.2305 7.2305 8.8661 8.8661 8.8661 8.8661 10.1518 10.1518 10.1518 10.1518 12.9613 12.9613 12.9613 12.9613 13.4743 13.4743 k =-0.2833 0.1141 0.7518 ( 2860 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5125 -12.5125 -12.5125 -12.5125 -11.1708 -11.1708 -11.1708 -11.1708 -10.9841 -10.9841 -10.9841 -10.9841 2.9038 2.9038 2.9038 2.9038 7.1866 7.1866 7.1866 7.1866 8.8895 8.8895 8.8895 8.8895 10.2014 10.2014 10.2014 10.2014 12.8741 12.8741 12.8741 12.8741 13.3962 13.3962 k =-0.3000 0.1208 0.7518 ( 2860 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5133 -12.5133 -12.5133 -12.5133 -11.1737 -11.1737 -11.1737 -11.1737 -10.9803 -10.9803 -10.9803 -10.9803 2.9165 2.9165 2.9165 2.9165 7.1440 7.1440 7.1440 7.1440 8.9129 8.9129 8.9129 8.9129 10.2520 10.2520 10.2520 10.2520 12.7910 12.7910 12.7910 12.7910 13.3149 13.3149 k =-0.3167 0.1276 0.7518 ( 2856 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5140 -12.5140 -12.5140 -12.5140 -11.1764 -11.1764 -11.1764 -11.1764 -10.9768 -10.9768 -10.9768 -10.9768 2.9290 2.9290 2.9290 2.9290 7.1032 7.1032 7.1032 7.1032 8.9361 8.9361 8.9361 8.9361 10.3033 10.3033 10.3033 10.3033 12.7124 12.7124 12.7124 12.7124 13.2322 13.2322 k =-0.3333 0.1343 0.7518 ( 2852 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5148 -12.5148 -12.5148 -12.5148 -11.1789 -11.1789 -11.1789 -11.1789 -10.9735 -10.9735 -10.9735 -10.9735 2.9411 2.9411 2.9411 2.9411 7.0644 7.0644 7.0644 7.0644 8.9588 8.9588 8.9588 8.9588 10.3546 10.3546 10.3546 10.3546 12.6388 12.6388 12.6388 12.6388 13.1496 13.1496 k =-0.3500 0.1410 0.7518 ( 2856 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5155 -12.5155 -12.5155 -12.5155 -11.1812 -11.1812 -11.1812 -11.1812 -10.9705 -10.9705 -10.9705 -10.9705 2.9525 2.9525 2.9525 2.9525 7.0282 7.0282 7.0282 7.0282 8.9807 8.9807 8.9807 8.9807 10.4053 10.4053 10.4053 10.4053 12.5705 12.5705 12.5705 12.5705 13.0687 13.0687 k =-0.3667 0.1477 0.7518 ( 2858 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5161 -12.5161 -12.5161 -12.5161 -11.1832 -11.1832 -11.1832 -11.1832 -10.9678 -10.9678 -10.9678 -10.9678 2.9633 2.9633 2.9633 2.9633 6.9947 6.9947 6.9947 6.9947 9.0015 9.0015 9.0015 9.0015 10.4549 10.4549 10.4549 10.4549 12.5079 12.5079 12.5079 12.5079 12.9908 12.9908 k =-0.3833 0.1544 0.7518 ( 2852 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5167 -12.5167 -12.5167 -12.5167 -11.1850 -11.1850 -11.1850 -11.1850 -10.9654 -10.9654 -10.9654 -10.9654 2.9732 2.9732 2.9732 2.9732 6.9644 6.9644 6.9644 6.9644 9.0208 9.0208 9.0208 9.0208 10.5024 10.5024 10.5024 10.5024 12.4516 12.4516 12.4516 12.4516 12.9173 12.9173 k =-0.4000 0.1611 0.7518 ( 2852 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5173 -12.5173 -12.5173 -12.5173 -11.1866 -11.1866 -11.1866 -11.1866 -10.9632 -10.9632 -10.9632 -10.9632 2.9821 2.9821 2.9821 2.9821 6.9375 6.9375 6.9375 6.9375 9.0383 9.0383 9.0383 9.0383 10.5469 10.5469 10.5469 10.5469 12.4019 12.4019 12.4019 12.4019 12.8495 12.8495 k =-0.4167 0.1678 0.7518 ( 2840 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5177 -12.5177 -12.5177 -12.5177 -11.1880 -11.1880 -11.1880 -11.1880 -10.9614 -10.9614 -10.9614 -10.9614 2.9899 2.9899 2.9899 2.9899 6.9143 6.9143 6.9143 6.9143 9.0538 9.0538 9.0538 9.0538 10.5873 10.5873 10.5873 10.5873 12.3591 12.3591 12.3591 12.3591 12.7888 12.7888 k =-0.4333 0.1746 0.7518 ( 2840 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5181 -12.5181 -12.5181 -12.5181 -11.1891 -11.1891 -11.1891 -11.1891 -10.9599 -10.9599 -10.9599 -10.9599 2.9964 2.9964 2.9964 2.9964 6.8950 6.8950 6.8950 6.8950 9.0669 9.0669 9.0669 9.0669 10.6227 10.6227 10.6227 10.6227 12.3235 12.3235 12.3235 12.3235 12.7366 12.7366 k =-0.4500 0.1813 0.7518 ( 2844 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5184 -12.5184 -12.5184 -12.5184 -11.1899 -11.1899 -11.1899 -11.1899 -10.9588 -10.9588 -10.9588 -10.9588 3.0016 3.0016 3.0016 3.0016 6.8798 6.8798 6.8798 6.8798 9.0774 9.0774 9.0774 9.0774 10.6517 10.6517 10.6517 10.6517 12.2955 12.2955 12.2955 12.2955 12.6943 12.6943 k =-0.4667 0.1880 0.7518 ( 2846 PWs) bands (ev): -31.4287 -31.4287 -31.4287 -31.4287 -12.5186 -12.5186 -12.5186 -12.5186 -11.1905 -11.1905 -11.1905 -11.1905 -10.9579 -10.9579 -10.9579 -10.9579 3.0053 3.0053 3.0053 3.0053 6.8689 6.8689 6.8689 6.8689 9.0850 9.0850 9.0850 9.0850 10.6733 10.6733 10.6733 10.6733 12.2754 12.2754 12.2754 12.2754 12.6630 12.6630 k =-0.4833 0.1947 0.7518 ( 2842 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5187 -12.5187 -12.5187 -12.5187 -11.1909 -11.1909 -11.1909 -11.1909 -10.9574 -10.9574 -10.9574 -10.9574 3.0076 3.0076 3.0076 3.0076 6.8623 6.8623 6.8623 6.8623 9.0897 9.0897 9.0897 9.0897 10.6867 10.6867 10.6867 10.6867 12.2632 12.2632 12.2632 12.2632 12.6438 12.6438 k =-0.5000 0.2014 0.7518 ( 2840 PWs) bands (ev): -31.4286 -31.4286 -31.4286 -31.4286 -12.5188 -12.5188 -12.5188 -12.5188 -11.1910 -11.1910 -11.1910 -11.1910 -10.9572 -10.9572 -10.9572 -10.9572 3.0084 3.0084 3.0084 3.0084 6.8600 6.8600 6.8600 6.8600 9.0913 9.0913 9.0913 9.0913 10.6913 10.6913 10.6913 10.6913 12.2592 12.2592 12.2592 12.2592 12.6373 12.6373 Writing output data file YSi.save init_run : 2.24s CPU 13.06s WALL ( 1 calls) electrons : 455.46s CPU 463.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 455.44s CPU 463.08s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.79s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.53s WALL ( 1 calls) newd : 0.38s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 420 calls) cegterg : 378.75s CPU 381.59s WALL ( 935 calls) Called by sum_band: Called by *egterg: h_psi : 193.07s CPU 200.55s WALL ( 15203 calls) s_psi : 15.52s CPU 16.28s WALL ( 15203 calls) g_psi : 0.37s CPU 0.43s WALL ( 13848 calls) cdiaghg : 131.67s CPU 128.81s WALL ( 14268 calls) cegterg:over : 29.66s CPU 26.23s WALL ( 13848 calls) cegterg:upda : 3.28s CPU 6.33s WALL ( 13848 calls) cegterg:last : 3.73s CPU 4.66s WALL ( 2464 calls) Called by h_psi: h_psi:vloc : 161.40s CPU 168.06s WALL ( 15203 calls) h_psi:vnl : 31.54s CPU 32.08s WALL ( 15203 calls) add_vuspsi : 8.59s CPU 12.38s WALL ( 15203 calls) General routines calbec : 22.90s CPU 19.61s WALL ( 15203 calls) fft : 0.48s CPU 1.35s WALL ( 19 calls) ffts : 0.00s CPU 0.08s WALL ( 4 calls) fftw : 155.68s CPU 159.27s WALL ( 1121016 calls) interpolate : 0.09s CPU 0.21s WALL ( 4 calls) davcio : 0.02s CPU 3.03s WALL ( 840 calls) Parallel routines fft_scatter : 97.30s CPU 98.47s WALL ( 1121039 calls) PWSCF : 8m28.45s CPU 10m18.10s WALL This run was terminated on: 6:52:37 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=