Program PWSCF v.5.1.1 starts on 3Nov2015 at 8:46:37 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: ./BC2N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 24 13 4 638 243 42 Max 25 14 5 641 260 46 Sum 1185 633 193 30703 12093 2105 bravais-lattice index = 14 lattice parameter (alat) = 6.7138 a.u. unit-cell volume = 306.5980 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.713818 celldm(2)= 1.000225 celldm(3)= 1.012891 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000225 0.000000 ) a(3) = ( 0.000000 0.000000 1.012891 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.999775 -0.000000 ) b(3) = ( 0.000000 0.000000 0.987273 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops. (no 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 =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] 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 = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_2 (222) there are 5 classes and 1 irreducible representations the character table: E -E C2 C2' C2'' -C2 -C2' -C2'' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 -E -1 Cartesian axes number of k points= 548 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0018248 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0018248 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0018248 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0018248 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0018248 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0018248 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0018248 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0018248 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 48) = ( 0.5000000 0.0111086 -0.0000000), wk = 0.0018248 k( 49) = ( 0.5000000 0.0222172 -0.0000000), wk = 0.0018248 k( 50) = ( 0.5000000 0.0333258 -0.0000000), wk = 0.0018248 k( 51) = ( 0.5000000 0.0444344 -0.0000000), wk = 0.0018248 k( 52) = ( 0.5000000 0.0555431 -0.0000000), wk = 0.0018248 k( 53) = ( 0.5000000 0.0666517 -0.0000000), wk = 0.0018248 k( 54) = ( 0.5000000 0.0777603 -0.0000000), wk = 0.0018248 k( 55) = ( 0.5000000 0.0888689 -0.0000000), wk = 0.0018248 k( 56) = ( 0.5000000 0.0999775 -0.0000000), wk = 0.0018248 k( 57) = ( 0.5000000 0.1110861 -0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.1221947 -0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.1333033 -0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.1444119 -0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.1555205 -0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.1666291 -0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.1777378 -0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.1888464 -0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.1999550 -0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.2110636 -0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.2221722 -0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.2332808 -0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.2443894 -0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.2554980 -0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.2666066 -0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.2777152 -0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.2888239 -0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.2999325 -0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.3110411 -0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.3221497 -0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.3332583 -0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.3443669 -0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.3554755 -0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.3665841 -0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.3776927 -0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.3888013 -0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.3999100 -0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.4110186 -0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.4221272 -0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.4332358 -0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.4443444 -0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.4554530 -0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.4665616 -0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.4776702 -0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.4887788 -0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.4998874 -0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.4998874 -0.0000000), wk = 0.0018248 k( 94) = ( 0.4888889 0.4998874 -0.0000000), wk = 0.0018248 k( 95) = ( 0.4777778 0.4998874 -0.0000000), wk = 0.0018248 k( 96) = ( 0.4666667 0.4998874 -0.0000000), wk = 0.0018248 k( 97) = ( 0.4555556 0.4998874 -0.0000000), wk = 0.0018248 k( 98) = ( 0.4444444 0.4998874 -0.0000000), wk = 0.0018248 k( 99) = ( 0.4333333 0.4998874 -0.0000000), wk = 0.0018248 k( 100) = ( 0.4222222 0.4998874 -0.0000000), wk = 0.0018248 k( 101) = ( 0.4111111 0.4998874 -0.0000000), wk = 0.0018248 k( 102) = ( 0.4000000 0.4998874 -0.0000000), wk = 0.0018248 k( 103) = ( 0.3888889 0.4998874 -0.0000000), wk = 0.0018248 k( 104) = ( 0.3777778 0.4998874 -0.0000000), wk = 0.0018248 k( 105) = ( 0.3666667 0.4998874 -0.0000000), wk = 0.0018248 k( 106) = ( 0.3555556 0.4998874 -0.0000000), wk = 0.0018248 k( 107) = ( 0.3444444 0.4998874 -0.0000000), wk = 0.0018248 k( 108) = ( 0.3333333 0.4998874 -0.0000000), wk = 0.0018248 k( 109) = ( 0.3222222 0.4998874 -0.0000000), wk = 0.0018248 k( 110) = ( 0.3111111 0.4998874 -0.0000000), wk = 0.0018248 k( 111) = ( 0.3000000 0.4998874 -0.0000000), wk = 0.0018248 k( 112) = ( 0.2888889 0.4998874 -0.0000000), wk = 0.0018248 k( 113) = ( 0.2777778 0.4998874 -0.0000000), wk = 0.0018248 k( 114) = ( 0.2666667 0.4998874 -0.0000000), wk = 0.0018248 k( 115) = ( 0.2555556 0.4998874 -0.0000000), wk = 0.0018248 k( 116) = ( 0.2444444 0.4998874 -0.0000000), wk = 0.0018248 k( 117) = ( 0.2333333 0.4998874 -0.0000000), wk = 0.0018248 k( 118) = ( 0.2222222 0.4998874 -0.0000000), wk = 0.0018248 k( 119) = ( 0.2111111 0.4998874 -0.0000000), wk = 0.0018248 k( 120) = ( 0.2000000 0.4998874 -0.0000000), wk = 0.0018248 k( 121) = ( 0.1888889 0.4998874 -0.0000000), wk = 0.0018248 k( 122) = ( 0.1777778 0.4998874 -0.0000000), wk = 0.0018248 k( 123) = ( 0.1666667 0.4998874 -0.0000000), wk = 0.0018248 k( 124) = ( 0.1555556 0.4998874 -0.0000000), wk = 0.0018248 k( 125) = ( 0.1444444 0.4998874 -0.0000000), wk = 0.0018248 k( 126) = ( 0.1333333 0.4998874 -0.0000000), wk = 0.0018248 k( 127) = ( 0.1222222 0.4998874 -0.0000000), wk = 0.0018248 k( 128) = ( 0.1111111 0.4998874 -0.0000000), wk = 0.0018248 k( 129) = ( 0.1000000 0.4998874 -0.0000000), wk = 0.0018248 k( 130) = ( 0.0888889 0.4998874 -0.0000000), wk = 0.0018248 k( 131) = ( 0.0777778 0.4998874 -0.0000000), wk = 0.0018248 k( 132) = ( 0.0666667 0.4998874 -0.0000000), wk = 0.0018248 k( 133) = ( 0.0555556 0.4998874 -0.0000000), wk = 0.0018248 k( 134) = ( 0.0444444 0.4998874 -0.0000000), wk = 0.0018248 k( 135) = ( 0.0333333 0.4998874 -0.0000000), wk = 0.0018248 k( 136) = ( 0.0222222 0.4998874 -0.0000000), wk = 0.0018248 k( 137) = ( 0.0111111 0.4998874 -0.0000000), wk = 0.0018248 k( 138) = ( 0.0000000 0.4998874 -0.0000000), wk = 0.0018248 k( 139) = ( 0.0000000 0.4998874 -0.0000000), wk = 0.0018248 k( 140) = ( 0.0000000 0.4887788 -0.0000000), wk = 0.0018248 k( 141) = ( 0.0000000 0.4776702 -0.0000000), wk = 0.0018248 k( 142) = ( 0.0000000 0.4665616 -0.0000000), wk = 0.0018248 k( 143) = ( 0.0000000 0.4554530 -0.0000000), wk = 0.0018248 k( 144) = ( 0.0000000 0.4443444 -0.0000000), wk = 0.0018248 k( 145) = ( 0.0000000 0.4332358 -0.0000000), wk = 0.0018248 k( 146) = ( 0.0000000 0.4221272 -0.0000000), wk = 0.0018248 k( 147) = ( 0.0000000 0.4110186 -0.0000000), wk = 0.0018248 k( 148) = ( 0.0000000 0.3999100 -0.0000000), wk = 0.0018248 k( 149) = ( 0.0000000 0.3888013 -0.0000000), wk = 0.0018248 k( 150) = ( 0.0000000 0.3776927 -0.0000000), wk = 0.0018248 k( 151) = ( 0.0000000 0.3665841 -0.0000000), wk = 0.0018248 k( 152) = ( 0.0000000 0.3554755 -0.0000000), wk = 0.0018248 k( 153) = ( 0.0000000 0.3443669 -0.0000000), wk = 0.0018248 k( 154) = ( 0.0000000 0.3332583 -0.0000000), wk = 0.0018248 k( 155) = ( 0.0000000 0.3221497 -0.0000000), wk = 0.0018248 k( 156) = ( 0.0000000 0.3110411 -0.0000000), wk = 0.0018248 k( 157) = ( 0.0000000 0.2999325 -0.0000000), wk = 0.0018248 k( 158) = ( 0.0000000 0.2888239 -0.0000000), wk = 0.0018248 k( 159) = ( 0.0000000 0.2777152 -0.0000000), wk = 0.0018248 k( 160) = ( 0.0000000 0.2666066 -0.0000000), wk = 0.0018248 k( 161) = ( 0.0000000 0.2554980 -0.0000000), wk = 0.0018248 k( 162) = ( 0.0000000 0.2443894 -0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.2332808 -0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.2221722 -0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.2110636 -0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.1999550 -0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.1888464 -0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.1777378 -0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.1666291 -0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.1555205 -0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.1444119 -0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.1333033 -0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.1221947 -0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.1110861 -0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.0999775 -0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.0888689 -0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.0777603 -0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.0666517 -0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.0555431 -0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.0444344 -0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.0333258 -0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.0222172 -0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.0111086 -0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.0000000 0.0112190), wk = 0.0018248 k( 187) = ( 0.0000000 0.0000000 0.0224380), wk = 0.0018248 k( 188) = ( 0.0000000 0.0000000 0.0336570), wk = 0.0018248 k( 189) = ( 0.0000000 0.0000000 0.0448760), wk = 0.0018248 k( 190) = ( 0.0000000 0.0000000 0.0560950), wk = 0.0018248 k( 191) = ( 0.0000000 0.0000000 0.0673141), wk = 0.0018248 k( 192) = ( 0.0000000 0.0000000 0.0785331), wk = 0.0018248 k( 193) = ( 0.0000000 0.0000000 0.0897521), wk = 0.0018248 k( 194) = ( 0.0000000 0.0000000 0.1009711), wk = 0.0018248 k( 195) = ( 0.0000000 0.0000000 0.1121901), wk = 0.0018248 k( 196) = ( 0.0000000 0.0000000 0.1234091), wk = 0.0018248 k( 197) = ( 0.0000000 0.0000000 0.1346281), wk = 0.0018248 k( 198) = ( 0.0000000 0.0000000 0.1458471), wk = 0.0018248 k( 199) = ( 0.0000000 0.0000000 0.1570661), wk = 0.0018248 k( 200) = ( 0.0000000 0.0000000 0.1682851), wk = 0.0018248 k( 201) = ( 0.0000000 0.0000000 0.1795041), wk = 0.0018248 k( 202) = ( 0.0000000 0.0000000 0.1907232), wk = 0.0018248 k( 203) = ( 0.0000000 0.0000000 0.2019422), wk = 0.0018248 k( 204) = ( 0.0000000 0.0000000 0.2131612), wk = 0.0018248 k( 205) = ( 0.0000000 0.0000000 0.2243802), wk = 0.0018248 k( 206) = ( 0.0000000 0.0000000 0.2355992), wk = 0.0018248 k( 207) = ( 0.0000000 0.0000000 0.2468182), wk = 0.0018248 k( 208) = ( 0.0000000 0.0000000 0.2580372), wk = 0.0018248 k( 209) = ( 0.0000000 0.0000000 0.2692562), wk = 0.0018248 k( 210) = ( 0.0000000 0.0000000 0.2804752), wk = 0.0018248 k( 211) = ( 0.0000000 0.0000000 0.2916942), wk = 0.0018248 k( 212) = ( 0.0000000 0.0000000 0.3029133), wk = 0.0018248 k( 213) = ( 0.0000000 0.0000000 0.3141323), wk = 0.0018248 k( 214) = ( 0.0000000 0.0000000 0.3253513), wk = 0.0018248 k( 215) = ( 0.0000000 0.0000000 0.3365703), wk = 0.0018248 k( 216) = ( 0.0000000 0.0000000 0.3477893), wk = 0.0018248 k( 217) = ( 0.0000000 0.0000000 0.3590083), wk = 0.0018248 k( 218) = ( 0.0000000 0.0000000 0.3702273), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.3814463), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.3926653), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.4038843), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.4151034), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.4263224), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.4375414), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.4487604), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.4599794), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.4711984), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.4824174), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.4936364), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.4936364), wk = 0.0018248 k( 231) = ( 0.0111111 -0.0000000 0.4936364), wk = 0.0018248 k( 232) = ( 0.0222222 -0.0000000 0.4936364), wk = 0.0018248 k( 233) = ( 0.0333333 -0.0000000 0.4936364), wk = 0.0018248 k( 234) = ( 0.0444444 -0.0000000 0.4936364), wk = 0.0018248 k( 235) = ( 0.0555556 -0.0000000 0.4936364), wk = 0.0018248 k( 236) = ( 0.0666667 -0.0000000 0.4936364), wk = 0.0018248 k( 237) = ( 0.0777778 -0.0000000 0.4936364), wk = 0.0018248 k( 238) = ( 0.0888889 -0.0000000 0.4936364), wk = 0.0018248 k( 239) = ( 0.1000000 -0.0000000 0.4936364), wk = 0.0018248 k( 240) = ( 0.1111111 -0.0000000 0.4936364), wk = 0.0018248 k( 241) = ( 0.1222222 -0.0000000 0.4936364), wk = 0.0018248 k( 242) = ( 0.1333333 -0.0000000 0.4936364), wk = 0.0018248 k( 243) = ( 0.1444444 -0.0000000 0.4936364), wk = 0.0018248 k( 244) = ( 0.1555556 -0.0000000 0.4936364), wk = 0.0018248 k( 245) = ( 0.1666667 -0.0000000 0.4936364), wk = 0.0018248 k( 246) = ( 0.1777778 -0.0000000 0.4936364), wk = 0.0018248 k( 247) = ( 0.1888889 -0.0000000 0.4936364), wk = 0.0018248 k( 248) = ( 0.2000000 -0.0000000 0.4936364), wk = 0.0018248 k( 249) = ( 0.2111111 -0.0000000 0.4936364), wk = 0.0018248 k( 250) = ( 0.2222222 -0.0000000 0.4936364), wk = 0.0018248 k( 251) = ( 0.2333333 -0.0000000 0.4936364), wk = 0.0018248 k( 252) = ( 0.2444444 -0.0000000 0.4936364), wk = 0.0018248 k( 253) = ( 0.2555556 -0.0000000 0.4936364), wk = 0.0018248 k( 254) = ( 0.2666667 -0.0000000 0.4936364), wk = 0.0018248 k( 255) = ( 0.2777778 -0.0000000 0.4936364), wk = 0.0018248 k( 256) = ( 0.2888889 -0.0000000 0.4936364), wk = 0.0018248 k( 257) = ( 0.3000000 -0.0000000 0.4936364), wk = 0.0018248 k( 258) = ( 0.3111111 -0.0000000 0.4936364), wk = 0.0018248 k( 259) = ( 0.3222222 -0.0000000 0.4936364), wk = 0.0018248 k( 260) = ( 0.3333333 -0.0000000 0.4936364), wk = 0.0018248 k( 261) = ( 0.3444444 -0.0000000 0.4936364), wk = 0.0018248 k( 262) = ( 0.3555556 -0.0000000 0.4936364), wk = 0.0018248 k( 263) = ( 0.3666667 -0.0000000 0.4936364), wk = 0.0018248 k( 264) = ( 0.3777778 -0.0000000 0.4936364), wk = 0.0018248 k( 265) = ( 0.3888889 -0.0000000 0.4936364), wk = 0.0018248 k( 266) = ( 0.4000000 -0.0000000 0.4936364), wk = 0.0018248 k( 267) = ( 0.4111111 -0.0000000 0.4936364), wk = 0.0018248 k( 268) = ( 0.4222222 -0.0000000 0.4936364), wk = 0.0018248 k( 269) = ( 0.4333333 -0.0000000 0.4936364), wk = 0.0018248 k( 270) = ( 0.4444444 -0.0000000 0.4936364), wk = 0.0018248 k( 271) = ( 0.4555556 -0.0000000 0.4936364), wk = 0.0018248 k( 272) = ( 0.4666667 -0.0000000 0.4936364), wk = 0.0018248 k( 273) = ( 0.4777778 -0.0000000 0.4936364), wk = 0.0018248 k( 274) = ( 0.4888889 -0.0000000 0.4936364), wk = 0.0018248 k( 275) = ( 0.5000000 -0.0000000 0.4936364), wk = 0.0018248 k( 276) = ( 0.5000000 -0.0000000 0.4936364), wk = 0.0018248 k( 277) = ( 0.5000000 0.0111086 0.4936364), wk = 0.0018248 k( 278) = ( 0.5000000 0.0222172 0.4936364), wk = 0.0018248 k( 279) = ( 0.5000000 0.0333258 0.4936364), wk = 0.0018248 k( 280) = ( 0.5000000 0.0444344 0.4936364), wk = 0.0018248 k( 281) = ( 0.5000000 0.0555431 0.4936364), wk = 0.0018248 k( 282) = ( 0.5000000 0.0666517 0.4936364), wk = 0.0018248 k( 283) = ( 0.5000000 0.0777603 0.4936364), wk = 0.0018248 k( 284) = ( 0.5000000 0.0888689 0.4936364), wk = 0.0018248 k( 285) = ( 0.5000000 0.0999775 0.4936364), wk = 0.0018248 k( 286) = ( 0.5000000 0.1110861 0.4936364), wk = 0.0018248 k( 287) = ( 0.5000000 0.1221947 0.4936364), wk = 0.0018248 k( 288) = ( 0.5000000 0.1333033 0.4936364), wk = 0.0018248 k( 289) = ( 0.5000000 0.1444119 0.4936364), wk = 0.0018248 k( 290) = ( 0.5000000 0.1555205 0.4936364), wk = 0.0018248 k( 291) = ( 0.5000000 0.1666291 0.4936364), wk = 0.0018248 k( 292) = ( 0.5000000 0.1777378 0.4936364), wk = 0.0018248 k( 293) = ( 0.5000000 0.1888464 0.4936364), wk = 0.0018248 k( 294) = ( 0.5000000 0.1999550 0.4936364), wk = 0.0018248 k( 295) = ( 0.5000000 0.2110636 0.4936364), wk = 0.0018248 k( 296) = ( 0.5000000 0.2221722 0.4936364), wk = 0.0018248 k( 297) = ( 0.5000000 0.2332808 0.4936364), wk = 0.0018248 k( 298) = ( 0.5000000 0.2443894 0.4936364), wk = 0.0018248 k( 299) = ( 0.5000000 0.2554980 0.4936364), wk = 0.0018248 k( 300) = ( 0.5000000 0.2666066 0.4936364), wk = 0.0018248 k( 301) = ( 0.5000000 0.2777152 0.4936364), wk = 0.0018248 k( 302) = ( 0.5000000 0.2888239 0.4936364), wk = 0.0018248 k( 303) = ( 0.5000000 0.2999325 0.4936364), wk = 0.0018248 k( 304) = ( 0.5000000 0.3110411 0.4936364), wk = 0.0018248 k( 305) = ( 0.5000000 0.3221497 0.4936364), wk = 0.0018248 k( 306) = ( 0.5000000 0.3332583 0.4936364), wk = 0.0018248 k( 307) = ( 0.5000000 0.3443669 0.4936364), wk = 0.0018248 k( 308) = ( 0.5000000 0.3554755 0.4936364), wk = 0.0018248 k( 309) = ( 0.5000000 0.3665841 0.4936364), wk = 0.0018248 k( 310) = ( 0.5000000 0.3776927 0.4936364), wk = 0.0018248 k( 311) = ( 0.5000000 0.3888013 0.4936364), wk = 0.0018248 k( 312) = ( 0.5000000 0.3999100 0.4936364), wk = 0.0018248 k( 313) = ( 0.5000000 0.4110186 0.4936364), wk = 0.0018248 k( 314) = ( 0.5000000 0.4221272 0.4936364), wk = 0.0018248 k( 315) = ( 0.5000000 0.4332358 0.4936364), wk = 0.0018248 k( 316) = ( 0.5000000 0.4443444 0.4936364), wk = 0.0018248 k( 317) = ( 0.5000000 0.4554530 0.4936364), wk = 0.0018248 k( 318) = ( 0.5000000 0.4665616 0.4936364), wk = 0.0018248 k( 319) = ( 0.5000000 0.4776702 0.4936364), wk = 0.0018248 k( 320) = ( 0.5000000 0.4887788 0.4936364), wk = 0.0018248 k( 321) = ( 0.5000000 0.4998874 0.4936364), wk = 0.0018248 k( 322) = ( 0.5000000 0.4998874 0.4936364), wk = 0.0018248 k( 323) = ( 0.4888889 0.4998874 0.4936364), wk = 0.0018248 k( 324) = ( 0.4777778 0.4998874 0.4936364), wk = 0.0018248 k( 325) = ( 0.4666667 0.4998874 0.4936364), wk = 0.0018248 k( 326) = ( 0.4555556 0.4998874 0.4936364), wk = 0.0018248 k( 327) = ( 0.4444444 0.4998874 0.4936364), wk = 0.0018248 k( 328) = ( 0.4333333 0.4998874 0.4936364), wk = 0.0018248 k( 329) = ( 0.4222222 0.4998874 0.4936364), wk = 0.0018248 k( 330) = ( 0.4111111 0.4998874 0.4936364), wk = 0.0018248 k( 331) = ( 0.4000000 0.4998874 0.4936364), wk = 0.0018248 k( 332) = ( 0.3888889 0.4998874 0.4936364), wk = 0.0018248 k( 333) = ( 0.3777778 0.4998874 0.4936364), wk = 0.0018248 k( 334) = ( 0.3666667 0.4998874 0.4936364), wk = 0.0018248 k( 335) = ( 0.3555556 0.4998874 0.4936364), wk = 0.0018248 k( 336) = ( 0.3444444 0.4998874 0.4936364), wk = 0.0018248 k( 337) = ( 0.3333333 0.4998874 0.4936364), wk = 0.0018248 k( 338) = ( 0.3222222 0.4998874 0.4936364), wk = 0.0018248 k( 339) = ( 0.3111111 0.4998874 0.4936364), wk = 0.0018248 k( 340) = ( 0.3000000 0.4998874 0.4936364), wk = 0.0018248 k( 341) = ( 0.2888889 0.4998874 0.4936364), wk = 0.0018248 k( 342) = ( 0.2777778 0.4998874 0.4936364), wk = 0.0018248 k( 343) = ( 0.2666667 0.4998874 0.4936364), wk = 0.0018248 k( 344) = ( 0.2555556 0.4998874 0.4936364), wk = 0.0018248 k( 345) = ( 0.2444444 0.4998874 0.4936364), wk = 0.0018248 k( 346) = ( 0.2333333 0.4998874 0.4936364), wk = 0.0018248 k( 347) = ( 0.2222222 0.4998874 0.4936364), wk = 0.0018248 k( 348) = ( 0.2111111 0.4998874 0.4936364), wk = 0.0018248 k( 349) = ( 0.2000000 0.4998874 0.4936364), wk = 0.0018248 k( 350) = ( 0.1888889 0.4998874 0.4936364), wk = 0.0018248 k( 351) = ( 0.1777778 0.4998874 0.4936364), wk = 0.0018248 k( 352) = ( 0.1666667 0.4998874 0.4936364), wk = 0.0018248 k( 353) = ( 0.1555556 0.4998874 0.4936364), wk = 0.0018248 k( 354) = ( 0.1444444 0.4998874 0.4936364), wk = 0.0018248 k( 355) = ( 0.1333333 0.4998874 0.4936364), wk = 0.0018248 k( 356) = ( 0.1222222 0.4998874 0.4936364), wk = 0.0018248 k( 357) = ( 0.1111111 0.4998874 0.4936364), wk = 0.0018248 k( 358) = ( 0.1000000 0.4998874 0.4936364), wk = 0.0018248 k( 359) = ( 0.0888889 0.4998874 0.4936364), wk = 0.0018248 k( 360) = ( 0.0777778 0.4998874 0.4936364), wk = 0.0018248 k( 361) = ( 0.0666667 0.4998874 0.4936364), wk = 0.0018248 k( 362) = ( 0.0555556 0.4998874 0.4936364), wk = 0.0018248 k( 363) = ( 0.0444444 0.4998874 0.4936364), wk = 0.0018248 k( 364) = ( 0.0333333 0.4998874 0.4936364), wk = 0.0018248 k( 365) = ( 0.0222222 0.4998874 0.4936364), wk = 0.0018248 k( 366) = ( 0.0111111 0.4998874 0.4936364), wk = 0.0018248 k( 367) = ( 0.0000000 0.4998874 0.4936364), wk = 0.0018248 k( 368) = ( 0.0000000 0.4998874 0.4936364), wk = 0.0018248 k( 369) = ( 0.0000000 0.4887788 0.4936364), wk = 0.0018248 k( 370) = ( 0.0000000 0.4776702 0.4936364), wk = 0.0018248 k( 371) = ( 0.0000000 0.4665616 0.4936364), wk = 0.0018248 k( 372) = ( 0.0000000 0.4554530 0.4936364), wk = 0.0018248 k( 373) = ( 0.0000000 0.4443444 0.4936364), wk = 0.0018248 k( 374) = ( 0.0000000 0.4332358 0.4936364), wk = 0.0018248 k( 375) = ( 0.0000000 0.4221272 0.4936364), wk = 0.0018248 k( 376) = ( 0.0000000 0.4110186 0.4936364), wk = 0.0018248 k( 377) = ( 0.0000000 0.3999100 0.4936364), wk = 0.0018248 k( 378) = ( 0.0000000 0.3888013 0.4936364), wk = 0.0018248 k( 379) = ( 0.0000000 0.3776927 0.4936364), wk = 0.0018248 k( 380) = ( 0.0000000 0.3665841 0.4936364), wk = 0.0018248 k( 381) = ( 0.0000000 0.3554755 0.4936364), wk = 0.0018248 k( 382) = ( 0.0000000 0.3443669 0.4936364), wk = 0.0018248 k( 383) = ( 0.0000000 0.3332583 0.4936364), wk = 0.0018248 k( 384) = ( 0.0000000 0.3221497 0.4936364), wk = 0.0018248 k( 385) = ( 0.0000000 0.3110411 0.4936364), wk = 0.0018248 k( 386) = ( 0.0000000 0.2999325 0.4936364), wk = 0.0018248 k( 387) = ( 0.0000000 0.2888239 0.4936364), wk = 0.0018248 k( 388) = ( 0.0000000 0.2777152 0.4936364), wk = 0.0018248 k( 389) = ( 0.0000000 0.2666066 0.4936364), wk = 0.0018248 k( 390) = ( 0.0000000 0.2554980 0.4936364), wk = 0.0018248 k( 391) = ( 0.0000000 0.2443894 0.4936364), wk = 0.0018248 k( 392) = ( 0.0000000 0.2332808 0.4936364), wk = 0.0018248 k( 393) = ( 0.0000000 0.2221722 0.4936364), wk = 0.0018248 k( 394) = ( 0.0000000 0.2110636 0.4936364), wk = 0.0018248 k( 395) = ( 0.0000000 0.1999550 0.4936364), wk = 0.0018248 k( 396) = ( 0.0000000 0.1888464 0.4936364), wk = 0.0018248 k( 397) = ( 0.0000000 0.1777378 0.4936364), wk = 0.0018248 k( 398) = ( 0.0000000 0.1666291 0.4936364), wk = 0.0018248 k( 399) = ( 0.0000000 0.1555205 0.4936364), wk = 0.0018248 k( 400) = ( 0.0000000 0.1444119 0.4936364), wk = 0.0018248 k( 401) = ( 0.0000000 0.1333033 0.4936364), wk = 0.0018248 k( 402) = ( 0.0000000 0.1221947 0.4936364), wk = 0.0018248 k( 403) = ( 0.0000000 0.1110861 0.4936364), wk = 0.0018248 k( 404) = ( 0.0000000 0.0999775 0.4936364), wk = 0.0018248 k( 405) = ( 0.0000000 0.0888689 0.4936364), wk = 0.0018248 k( 406) = ( 0.0000000 0.0777603 0.4936364), wk = 0.0018248 k( 407) = ( 0.0000000 0.0666517 0.4936364), wk = 0.0018248 k( 408) = ( 0.0000000 0.0555431 0.4936364), wk = 0.0018248 k( 409) = ( 0.0000000 0.0444344 0.4936364), wk = 0.0018248 k( 410) = ( 0.0000000 0.0333258 0.4936364), wk = 0.0018248 k( 411) = ( 0.0000000 0.0222172 0.4936364), wk = 0.0018248 k( 412) = ( 0.0000000 0.0111086 0.4936364), wk = 0.0018248 k( 413) = ( 0.0000000 0.0000000 0.4936364), wk = 0.0018248 k( 414) = ( 0.0000000 0.4998874 -0.0000000), wk = 0.0018248 k( 415) = ( 0.0000000 0.4998874 0.0112190), wk = 0.0018248 k( 416) = ( 0.0000000 0.4998874 0.0224380), wk = 0.0018248 k( 417) = ( 0.0000000 0.4998874 0.0336570), wk = 0.0018248 k( 418) = ( 0.0000000 0.4998874 0.0448760), wk = 0.0018248 k( 419) = ( 0.0000000 0.4998874 0.0560950), wk = 0.0018248 k( 420) = ( 0.0000000 0.4998874 0.0673141), wk = 0.0018248 k( 421) = ( 0.0000000 0.4998874 0.0785331), wk = 0.0018248 k( 422) = ( 0.0000000 0.4998874 0.0897521), wk = 0.0018248 k( 423) = ( 0.0000000 0.4998874 0.1009711), wk = 0.0018248 k( 424) = ( 0.0000000 0.4998874 0.1121901), wk = 0.0018248 k( 425) = ( 0.0000000 0.4998874 0.1234091), wk = 0.0018248 k( 426) = ( 0.0000000 0.4998874 0.1346281), wk = 0.0018248 k( 427) = ( 0.0000000 0.4998874 0.1458471), wk = 0.0018248 k( 428) = ( 0.0000000 0.4998874 0.1570661), wk = 0.0018248 k( 429) = ( 0.0000000 0.4998874 0.1682851), wk = 0.0018248 k( 430) = ( 0.0000000 0.4998874 0.1795041), wk = 0.0018248 k( 431) = ( 0.0000000 0.4998874 0.1907232), wk = 0.0018248 k( 432) = ( 0.0000000 0.4998874 0.2019422), wk = 0.0018248 k( 433) = ( 0.0000000 0.4998874 0.2131612), wk = 0.0018248 k( 434) = ( 0.0000000 0.4998874 0.2243802), wk = 0.0018248 k( 435) = ( 0.0000000 0.4998874 0.2355992), wk = 0.0018248 k( 436) = ( 0.0000000 0.4998874 0.2468182), wk = 0.0018248 k( 437) = ( 0.0000000 0.4998874 0.2580372), wk = 0.0018248 k( 438) = ( 0.0000000 0.4998874 0.2692562), wk = 0.0018248 k( 439) = ( 0.0000000 0.4998874 0.2804752), wk = 0.0018248 k( 440) = ( 0.0000000 0.4998874 0.2916942), wk = 0.0018248 k( 441) = ( 0.0000000 0.4998874 0.3029133), wk = 0.0018248 k( 442) = ( 0.0000000 0.4998874 0.3141323), wk = 0.0018248 k( 443) = ( 0.0000000 0.4998874 0.3253513), wk = 0.0018248 k( 444) = ( 0.0000000 0.4998874 0.3365703), wk = 0.0018248 k( 445) = ( 0.0000000 0.4998874 0.3477893), wk = 0.0018248 k( 446) = ( 0.0000000 0.4998874 0.3590083), wk = 0.0018248 k( 447) = ( 0.0000000 0.4998874 0.3702273), wk = 0.0018248 k( 448) = ( 0.0000000 0.4998874 0.3814463), wk = 0.0018248 k( 449) = ( 0.0000000 0.4998874 0.3926653), wk = 0.0018248 k( 450) = ( 0.0000000 0.4998874 0.4038843), wk = 0.0018248 k( 451) = ( 0.0000000 0.4998874 0.4151034), wk = 0.0018248 k( 452) = ( 0.0000000 0.4998874 0.4263224), wk = 0.0018248 k( 453) = ( 0.0000000 0.4998874 0.4375414), wk = 0.0018248 k( 454) = ( 0.0000000 0.4998874 0.4487604), wk = 0.0018248 k( 455) = ( 0.0000000 0.4998874 0.4599794), wk = 0.0018248 k( 456) = ( 0.0000000 0.4998874 0.4711984), wk = 0.0018248 k( 457) = ( 0.0000000 0.4998874 0.4824174), wk = 0.0018248 k( 458) = ( 0.0000000 0.4998874 0.4936364), wk = 0.0018248 k( 459) = ( 0.5000000 -0.0000000 0.4936364), wk = 0.0018248 k( 460) = ( 0.5000000 -0.0000000 0.4824174), wk = 0.0018248 k( 461) = ( 0.5000000 -0.0000000 0.4711984), wk = 0.0018248 k( 462) = ( 0.5000000 -0.0000000 0.4599794), wk = 0.0018248 k( 463) = ( 0.5000000 -0.0000000 0.4487604), wk = 0.0018248 k( 464) = ( 0.5000000 -0.0000000 0.4375414), wk = 0.0018248 k( 465) = ( 0.5000000 -0.0000000 0.4263224), wk = 0.0018248 k( 466) = ( 0.5000000 -0.0000000 0.4151034), wk = 0.0018248 k( 467) = ( 0.5000000 -0.0000000 0.4038843), wk = 0.0018248 k( 468) = ( 0.5000000 -0.0000000 0.3926653), wk = 0.0018248 k( 469) = ( 0.5000000 -0.0000000 0.3814463), wk = 0.0018248 k( 470) = ( 0.5000000 -0.0000000 0.3702273), wk = 0.0018248 k( 471) = ( 0.5000000 -0.0000000 0.3590083), wk = 0.0018248 k( 472) = ( 0.5000000 -0.0000000 0.3477893), wk = 0.0018248 k( 473) = ( 0.5000000 -0.0000000 0.3365703), wk = 0.0018248 k( 474) = ( 0.5000000 -0.0000000 0.3253513), wk = 0.0018248 k( 475) = ( 0.5000000 -0.0000000 0.3141323), wk = 0.0018248 k( 476) = ( 0.5000000 -0.0000000 0.3029133), wk = 0.0018248 k( 477) = ( 0.5000000 -0.0000000 0.2916942), wk = 0.0018248 k( 478) = ( 0.5000000 -0.0000000 0.2804752), wk = 0.0018248 k( 479) = ( 0.5000000 -0.0000000 0.2692562), wk = 0.0018248 k( 480) = ( 0.5000000 -0.0000000 0.2580372), wk = 0.0018248 k( 481) = ( 0.5000000 -0.0000000 0.2468182), wk = 0.0018248 k( 482) = ( 0.5000000 -0.0000000 0.2355992), wk = 0.0018248 k( 483) = ( 0.5000000 -0.0000000 0.2243802), wk = 0.0018248 k( 484) = ( 0.5000000 -0.0000000 0.2131612), wk = 0.0018248 k( 485) = ( 0.5000000 -0.0000000 0.2019422), wk = 0.0018248 k( 486) = ( 0.5000000 -0.0000000 0.1907232), wk = 0.0018248 k( 487) = ( 0.5000000 -0.0000000 0.1795041), wk = 0.0018248 k( 488) = ( 0.5000000 -0.0000000 0.1682851), wk = 0.0018248 k( 489) = ( 0.5000000 -0.0000000 0.1570661), wk = 0.0018248 k( 490) = ( 0.5000000 -0.0000000 0.1458471), wk = 0.0018248 k( 491) = ( 0.5000000 -0.0000000 0.1346281), wk = 0.0018248 k( 492) = ( 0.5000000 -0.0000000 0.1234091), wk = 0.0018248 k( 493) = ( 0.5000000 -0.0000000 0.1121901), wk = 0.0018248 k( 494) = ( 0.5000000 -0.0000000 0.1009711), wk = 0.0018248 k( 495) = ( 0.5000000 -0.0000000 0.0897521), wk = 0.0018248 k( 496) = ( 0.5000000 -0.0000000 0.0785331), wk = 0.0018248 k( 497) = ( 0.5000000 -0.0000000 0.0673141), wk = 0.0018248 k( 498) = ( 0.5000000 -0.0000000 0.0560950), wk = 0.0018248 k( 499) = ( 0.5000000 -0.0000000 0.0448760), wk = 0.0018248 k( 500) = ( 0.5000000 -0.0000000 0.0336570), wk = 0.0018248 k( 501) = ( 0.5000000 -0.0000000 0.0224380), wk = 0.0018248 k( 502) = ( 0.5000000 -0.0000000 0.0112190), wk = 0.0018248 k( 503) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 504) = ( 0.5000000 0.4998874 -0.0000000), wk = 0.0018248 k( 505) = ( 0.5000000 0.4998874 0.0112190), wk = 0.0018248 k( 506) = ( 0.5000000 0.4998874 0.0224380), wk = 0.0018248 k( 507) = ( 0.5000000 0.4998874 0.0336570), wk = 0.0018248 k( 508) = ( 0.5000000 0.4998874 0.0448760), wk = 0.0018248 k( 509) = ( 0.5000000 0.4998874 0.0560950), wk = 0.0018248 k( 510) = ( 0.5000000 0.4998874 0.0673141), wk = 0.0018248 k( 511) = ( 0.5000000 0.4998874 0.0785331), wk = 0.0018248 k( 512) = ( 0.5000000 0.4998874 0.0897521), wk = 0.0018248 k( 513) = ( 0.5000000 0.4998874 0.1009711), wk = 0.0018248 k( 514) = ( 0.5000000 0.4998874 0.1121901), wk = 0.0018248 k( 515) = ( 0.5000000 0.4998874 0.1234091), wk = 0.0018248 k( 516) = ( 0.5000000 0.4998874 0.1346281), wk = 0.0018248 k( 517) = ( 0.5000000 0.4998874 0.1458471), wk = 0.0018248 k( 518) = ( 0.5000000 0.4998874 0.1570661), wk = 0.0018248 k( 519) = ( 0.5000000 0.4998874 0.1682851), wk = 0.0018248 k( 520) = ( 0.5000000 0.4998874 0.1795041), wk = 0.0018248 k( 521) = ( 0.5000000 0.4998874 0.1907232), wk = 0.0018248 k( 522) = ( 0.5000000 0.4998874 0.2019422), wk = 0.0018248 k( 523) = ( 0.5000000 0.4998874 0.2131612), wk = 0.0018248 k( 524) = ( 0.5000000 0.4998874 0.2243802), wk = 0.0018248 k( 525) = ( 0.5000000 0.4998874 0.2355992), wk = 0.0018248 k( 526) = ( 0.5000000 0.4998874 0.2468182), wk = 0.0018248 k( 527) = ( 0.5000000 0.4998874 0.2580372), wk = 0.0018248 k( 528) = ( 0.5000000 0.4998874 0.2692562), wk = 0.0018248 k( 529) = ( 0.5000000 0.4998874 0.2804752), wk = 0.0018248 k( 530) = ( 0.5000000 0.4998874 0.2916942), wk = 0.0018248 k( 531) = ( 0.5000000 0.4998874 0.3029133), wk = 0.0018248 k( 532) = ( 0.5000000 0.4998874 0.3141323), wk = 0.0018248 k( 533) = ( 0.5000000 0.4998874 0.3253513), wk = 0.0018248 k( 534) = ( 0.5000000 0.4998874 0.3365703), wk = 0.0018248 k( 535) = ( 0.5000000 0.4998874 0.3477893), wk = 0.0018248 k( 536) = ( 0.5000000 0.4998874 0.3590083), wk = 0.0018248 k( 537) = ( 0.5000000 0.4998874 0.3702273), wk = 0.0018248 k( 538) = ( 0.5000000 0.4998874 0.3814463), wk = 0.0018248 k( 539) = ( 0.5000000 0.4998874 0.3926653), wk = 0.0018248 k( 540) = ( 0.5000000 0.4998874 0.4038843), wk = 0.0018248 k( 541) = ( 0.5000000 0.4998874 0.4151034), wk = 0.0018248 k( 542) = ( 0.5000000 0.4998874 0.4263224), wk = 0.0018248 k( 543) = ( 0.5000000 0.4998874 0.4375414), wk = 0.0018248 k( 544) = ( 0.5000000 0.4998874 0.4487604), wk = 0.0018248 k( 545) = ( 0.5000000 0.4998874 0.4599794), wk = 0.0018248 k( 546) = ( 0.5000000 0.4998874 0.4711984), wk = 0.0018248 k( 547) = ( 0.5000000 0.4998874 0.4824174), wk = 0.0018248 k( 548) = ( 0.5000000 0.4998874 0.4936364), wk = 0.0018248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0018248 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0018248 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0018248 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0018248 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0018248 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0018248 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0018248 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0018248 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0018248 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0018248 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0018248 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0018248 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0018248 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0018248 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0018248 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0018248 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0018248 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0018248 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0018248 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0018248 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0018248 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0018248 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0018248 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0018248 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0018248 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0018248 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0018248 k( 29) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0018248 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0018248 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0018248 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0018248 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0018248 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0018248 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0018248 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0018248 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0018248 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0018248 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0018248 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0018248 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0018248 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0018248 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0018248 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0018248 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0018248 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 48) = ( 0.5000000 0.0111111 0.0000000), wk = 0.0018248 k( 49) = ( 0.5000000 0.0222222 0.0000000), wk = 0.0018248 k( 50) = ( 0.5000000 0.0333333 0.0000000), wk = 0.0018248 k( 51) = ( 0.5000000 0.0444444 0.0000000), wk = 0.0018248 k( 52) = ( 0.5000000 0.0555556 0.0000000), wk = 0.0018248 k( 53) = ( 0.5000000 0.0666667 0.0000000), wk = 0.0018248 k( 54) = ( 0.5000000 0.0777778 0.0000000), wk = 0.0018248 k( 55) = ( 0.5000000 0.0888889 0.0000000), wk = 0.0018248 k( 56) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0018248 k( 57) = ( 0.5000000 0.1111111 0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.1222222 0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.1333333 0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.1444444 0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.1555556 0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.1777778 0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.1888889 -0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.2000000 -0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.2111111 0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.2222222 0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.2333333 0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.2444444 0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.2555556 0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.2666667 0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.2777778 0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.2888889 0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.3111111 0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.3222222 0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.3444444 0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.3555556 0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.3666667 0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.3777778 0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.3888889 -0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.4111111 0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.4222222 0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.4333333 0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.4444444 -0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.4555556 0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.4666667 0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.4777778 0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.4888889 0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 94) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0018248 k( 95) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0018248 k( 96) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0018248 k( 97) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0018248 k( 98) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0018248 k( 99) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0018248 k( 100) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0018248 k( 101) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0018248 k( 102) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0018248 k( 103) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0018248 k( 104) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0018248 k( 105) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0018248 k( 106) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0018248 k( 107) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0018248 k( 108) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0018248 k( 109) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0018248 k( 110) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0018248 k( 111) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0018248 k( 112) = ( 0.2888889 0.5000000 0.0000000), wk = 0.0018248 k( 113) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0018248 k( 114) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0018248 k( 115) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0018248 k( 116) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0018248 k( 117) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0018248 k( 118) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0018248 k( 119) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0018248 k( 120) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0018248 k( 121) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0018248 k( 122) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0018248 k( 123) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0018248 k( 124) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0018248 k( 125) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0018248 k( 126) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0018248 k( 127) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0018248 k( 128) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0018248 k( 129) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0018248 k( 130) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0018248 k( 131) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0018248 k( 132) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0018248 k( 133) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0018248 k( 134) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0018248 k( 135) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0018248 k( 136) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0018248 k( 137) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0018248 k( 138) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018248 k( 139) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018248 k( 140) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0018248 k( 141) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0018248 k( 142) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0018248 k( 143) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0018248 k( 144) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0018248 k( 145) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0018248 k( 146) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0018248 k( 147) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0018248 k( 148) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0018248 k( 149) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0018248 k( 150) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0018248 k( 151) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0018248 k( 152) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0018248 k( 153) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0018248 k( 154) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0018248 k( 155) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0018248 k( 156) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0018248 k( 157) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0018248 k( 158) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0018248 k( 159) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0018248 k( 160) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0018248 k( 161) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0018248 k( 162) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0018248 k( 187) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0018248 k( 188) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0018248 k( 189) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0018248 k( 190) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0018248 k( 191) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0018248 k( 192) = ( 0.0000000 0.0000000 0.0795454), wk = 0.0018248 k( 193) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0018248 k( 194) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0018248 k( 195) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0018248 k( 196) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0018248 k( 197) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0018248 k( 198) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0018248 k( 199) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0018248 k( 200) = ( 0.0000000 0.0000000 0.1704545), wk = 0.0018248 k( 201) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0018248 k( 202) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0018248 k( 203) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0018248 k( 204) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0018248 k( 205) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0018248 k( 206) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0018248 k( 207) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0018248 k( 208) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0018248 k( 209) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0018248 k( 210) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0018248 k( 211) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0018248 k( 212) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0018248 k( 213) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0018248 k( 214) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0018248 k( 215) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0018248 k( 216) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0018248 k( 217) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0018248 k( 218) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 231) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0018248 k( 232) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0018248 k( 233) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0018248 k( 234) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0018248 k( 235) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0018248 k( 236) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0018248 k( 237) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0018248 k( 238) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0018248 k( 239) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0018248 k( 240) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0018248 k( 241) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0018248 k( 242) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0018248 k( 243) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0018248 k( 244) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0018248 k( 245) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0018248 k( 246) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0018248 k( 247) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0018248 k( 248) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0018248 k( 249) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0018248 k( 250) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0018248 k( 251) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0018248 k( 252) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0018248 k( 253) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0018248 k( 254) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0018248 k( 255) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0018248 k( 256) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0018248 k( 257) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0018248 k( 258) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0018248 k( 259) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0018248 k( 260) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0018248 k( 261) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0018248 k( 262) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0018248 k( 263) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0018248 k( 264) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0018248 k( 265) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0018248 k( 266) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0018248 k( 267) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0018248 k( 268) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0018248 k( 269) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0018248 k( 270) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0018248 k( 271) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0018248 k( 272) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0018248 k( 273) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0018248 k( 274) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0018248 k( 275) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 277) = ( 0.5000000 0.0111111 0.5000000), wk = 0.0018248 k( 278) = ( 0.5000000 0.0222222 0.5000000), wk = 0.0018248 k( 279) = ( 0.5000000 0.0333333 0.5000000), wk = 0.0018248 k( 280) = ( 0.5000000 0.0444444 0.5000000), wk = 0.0018248 k( 281) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0018248 k( 282) = ( 0.5000000 0.0666667 0.5000000), wk = 0.0018248 k( 283) = ( 0.5000000 0.0777778 0.5000000), wk = 0.0018248 k( 284) = ( 0.5000000 0.0888889 0.5000000), wk = 0.0018248 k( 285) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0018248 k( 286) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0018248 k( 287) = ( 0.5000000 0.1222222 0.5000000), wk = 0.0018248 k( 288) = ( 0.5000000 0.1333333 0.5000000), wk = 0.0018248 k( 289) = ( 0.5000000 0.1444444 0.5000000), wk = 0.0018248 k( 290) = ( 0.5000000 0.1555556 0.5000000), wk = 0.0018248 k( 291) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0018248 k( 292) = ( 0.5000000 0.1777778 0.5000000), wk = 0.0018248 k( 293) = ( 0.5000000 0.1888889 0.5000000), wk = 0.0018248 k( 294) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0018248 k( 295) = ( 0.5000000 0.2111111 0.5000000), wk = 0.0018248 k( 296) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0018248 k( 297) = ( 0.5000000 0.2333333 0.5000000), wk = 0.0018248 k( 298) = ( 0.5000000 0.2444444 0.5000000), wk = 0.0018248 k( 299) = ( 0.5000000 0.2555556 0.5000000), wk = 0.0018248 k( 300) = ( 0.5000000 0.2666667 0.5000000), wk = 0.0018248 k( 301) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0018248 k( 302) = ( 0.5000000 0.2888889 0.5000000), wk = 0.0018248 k( 303) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0018248 k( 304) = ( 0.5000000 0.3111111 0.5000000), wk = 0.0018248 k( 305) = ( 0.5000000 0.3222222 0.5000000), wk = 0.0018248 k( 306) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0018248 k( 307) = ( 0.5000000 0.3444444 0.5000000), wk = 0.0018248 k( 308) = ( 0.5000000 0.3555556 0.5000000), wk = 0.0018248 k( 309) = ( 0.5000000 0.3666667 0.5000000), wk = 0.0018248 k( 310) = ( 0.5000000 0.3777778 0.5000000), wk = 0.0018248 k( 311) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0018248 k( 312) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0018248 k( 313) = ( 0.5000000 0.4111111 0.5000000), wk = 0.0018248 k( 314) = ( 0.5000000 0.4222222 0.5000000), wk = 0.0018248 k( 315) = ( 0.5000000 0.4333333 0.5000000), wk = 0.0018248 k( 316) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0018248 k( 317) = ( 0.5000000 0.4555556 0.5000000), wk = 0.0018248 k( 318) = ( 0.5000000 0.4666667 0.5000000), wk = 0.0018248 k( 319) = ( 0.5000000 0.4777778 0.5000000), wk = 0.0018248 k( 320) = ( 0.5000000 0.4888889 0.5000000), wk = 0.0018248 k( 321) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 323) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0018248 k( 324) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0018248 k( 325) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0018248 k( 326) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0018248 k( 327) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0018248 k( 328) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0018248 k( 329) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0018248 k( 330) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0018248 k( 331) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0018248 k( 332) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0018248 k( 333) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0018248 k( 334) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0018248 k( 335) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0018248 k( 336) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0018248 k( 337) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0018248 k( 338) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0018248 k( 339) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0018248 k( 340) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0018248 k( 341) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0018248 k( 342) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0018248 k( 343) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0018248 k( 344) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0018248 k( 345) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0018248 k( 346) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0018248 k( 347) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0018248 k( 348) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0018248 k( 349) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0018248 k( 350) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0018248 k( 351) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0018248 k( 352) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0018248 k( 353) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0018248 k( 354) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0018248 k( 355) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0018248 k( 356) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0018248 k( 357) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0018248 k( 358) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0018248 k( 359) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0018248 k( 360) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0018248 k( 361) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0018248 k( 362) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0018248 k( 363) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0018248 k( 364) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0018248 k( 365) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0018248 k( 366) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0018248 k( 367) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 368) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 369) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0018248 k( 370) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0018248 k( 371) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0018248 k( 372) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0018248 k( 373) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0018248 k( 374) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0018248 k( 375) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0018248 k( 376) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0018248 k( 377) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0018248 k( 378) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0018248 k( 379) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0018248 k( 380) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0018248 k( 381) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0018248 k( 382) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0018248 k( 383) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0018248 k( 384) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0018248 k( 385) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0018248 k( 386) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0018248 k( 387) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0018248 k( 388) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0018248 k( 389) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0018248 k( 390) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0018248 k( 391) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0018248 k( 392) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0018248 k( 393) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0018248 k( 394) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0018248 k( 395) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0018248 k( 396) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0018248 k( 397) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0018248 k( 398) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0018248 k( 399) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0018248 k( 400) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0018248 k( 401) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0018248 k( 402) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0018248 k( 403) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0018248 k( 404) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0018248 k( 405) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0018248 k( 406) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0018248 k( 407) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0018248 k( 408) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0018248 k( 409) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0018248 k( 410) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0018248 k( 411) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0018248 k( 412) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0018248 k( 413) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 414) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018248 k( 415) = ( 0.0000000 0.5000000 0.0113636), wk = 0.0018248 k( 416) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0018248 k( 417) = ( 0.0000000 0.5000000 0.0340909), wk = 0.0018248 k( 418) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0018248 k( 419) = ( 0.0000000 0.5000000 0.0568182), wk = 0.0018248 k( 420) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0018248 k( 421) = ( 0.0000000 0.5000000 0.0795454), wk = 0.0018248 k( 422) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0018248 k( 423) = ( 0.0000000 0.5000000 0.1022727), wk = 0.0018248 k( 424) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0018248 k( 425) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0018248 k( 426) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0018248 k( 427) = ( 0.0000000 0.5000000 0.1477273), wk = 0.0018248 k( 428) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0018248 k( 429) = ( 0.0000000 0.5000000 0.1704545), wk = 0.0018248 k( 430) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0018248 k( 431) = ( 0.0000000 0.5000000 0.1931818), wk = 0.0018248 k( 432) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0018248 k( 433) = ( 0.0000000 0.5000000 0.2159091), wk = 0.0018248 k( 434) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0018248 k( 435) = ( 0.0000000 0.5000000 0.2386364), wk = 0.0018248 k( 436) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0018248 k( 437) = ( 0.0000000 0.5000000 0.2613636), wk = 0.0018248 k( 438) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0018248 k( 439) = ( 0.0000000 0.5000000 0.2840909), wk = 0.0018248 k( 440) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0018248 k( 441) = ( 0.0000000 0.5000000 0.3068182), wk = 0.0018248 k( 442) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0018248 k( 443) = ( 0.0000000 0.5000000 0.3295455), wk = 0.0018248 k( 444) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0018248 k( 445) = ( 0.0000000 0.5000000 0.3522727), wk = 0.0018248 k( 446) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0018248 k( 447) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0018248 k( 448) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0018248 k( 449) = ( 0.0000000 0.5000000 0.3977273), wk = 0.0018248 k( 450) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0018248 k( 451) = ( 0.0000000 0.5000000 0.4204545), wk = 0.0018248 k( 452) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0018248 k( 453) = ( 0.0000000 0.5000000 0.4431818), wk = 0.0018248 k( 454) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0018248 k( 455) = ( 0.0000000 0.5000000 0.4659091), wk = 0.0018248 k( 456) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0018248 k( 457) = ( 0.0000000 0.5000000 0.4886364), wk = 0.0018248 k( 458) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 459) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 460) = ( 0.5000000 0.0000000 0.4886364), wk = 0.0018248 k( 461) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0018248 k( 462) = ( 0.5000000 0.0000000 0.4659091), wk = 0.0018248 k( 463) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0018248 k( 464) = ( 0.5000000 0.0000000 0.4431818), wk = 0.0018248 k( 465) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0018248 k( 466) = ( 0.5000000 0.0000000 0.4204545), wk = 0.0018248 k( 467) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0018248 k( 468) = ( 0.5000000 0.0000000 0.3977273), wk = 0.0018248 k( 469) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0018248 k( 470) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0018248 k( 471) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0018248 k( 472) = ( 0.5000000 0.0000000 0.3522727), wk = 0.0018248 k( 473) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0018248 k( 474) = ( 0.5000000 0.0000000 0.3295455), wk = 0.0018248 k( 475) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0018248 k( 476) = ( 0.5000000 0.0000000 0.3068182), wk = 0.0018248 k( 477) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0018248 k( 478) = ( 0.5000000 0.0000000 0.2840909), wk = 0.0018248 k( 479) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0018248 k( 480) = ( 0.5000000 0.0000000 0.2613636), wk = 0.0018248 k( 481) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0018248 k( 482) = ( 0.5000000 0.0000000 0.2386364), wk = 0.0018248 k( 483) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0018248 k( 484) = ( 0.5000000 0.0000000 0.2159091), wk = 0.0018248 k( 485) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0018248 k( 486) = ( 0.5000000 0.0000000 0.1931818), wk = 0.0018248 k( 487) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0018248 k( 488) = ( 0.5000000 0.0000000 0.1704545), wk = 0.0018248 k( 489) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0018248 k( 490) = ( 0.5000000 0.0000000 0.1477273), wk = 0.0018248 k( 491) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0018248 k( 492) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0018248 k( 493) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0018248 k( 494) = ( 0.5000000 0.0000000 0.1022727), wk = 0.0018248 k( 495) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0018248 k( 496) = ( 0.5000000 0.0000000 0.0795454), wk = 0.0018248 k( 497) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0018248 k( 498) = ( 0.5000000 0.0000000 0.0568182), wk = 0.0018248 k( 499) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0018248 k( 500) = ( 0.5000000 0.0000000 0.0340909), wk = 0.0018248 k( 501) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0018248 k( 502) = ( 0.5000000 0.0000000 0.0113636), wk = 0.0018248 k( 503) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 504) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 505) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0018248 k( 506) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0018248 k( 507) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0018248 k( 508) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0018248 k( 509) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0018248 k( 510) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0018248 k( 511) = ( 0.5000000 0.5000000 0.0795454), wk = 0.0018248 k( 512) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0018248 k( 513) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0018248 k( 514) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0018248 k( 515) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0018248 k( 516) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0018248 k( 517) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0018248 k( 518) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0018248 k( 519) = ( 0.5000000 0.5000000 0.1704545), wk = 0.0018248 k( 520) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0018248 k( 521) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0018248 k( 522) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0018248 k( 523) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0018248 k( 524) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0018248 k( 525) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0018248 k( 526) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0018248 k( 527) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0018248 k( 528) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0018248 k( 529) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0018248 k( 530) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0018248 k( 531) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0018248 k( 532) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0018248 k( 533) = ( 0.5000000 0.5000000 0.3295455), wk = 0.0018248 k( 534) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0018248 k( 535) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0018248 k( 536) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0018248 k( 537) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0018248 k( 538) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0018248 k( 539) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0018248 k( 540) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0018248 k( 541) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0018248 k( 542) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0018248 k( 543) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0018248 k( 544) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0018248 k( 545) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0018248 k( 546) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0018248 k( 547) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0018248 k( 548) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 Dense grid: 30703 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12093 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 76, 40) NL pseudopotentials 0.06 Mb ( 38, 112) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 640) G-vector shells 0.00 Mb ( 320) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 76, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./BC2N.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.9 secs Computing kpt #: 2 total cpu time spent up to now is 41.6 secs Computing kpt #: 3 total cpu time spent up to now is 42.4 secs Computing kpt #: 4 total cpu time spent up to now is 43.1 secs Computing kpt #: 5 total cpu time spent up to now is 43.9 secs Computing kpt #: 6 total cpu time spent up to now is 44.6 secs Computing kpt #: 7 total cpu time spent up to now is 45.3 secs Computing kpt #: 8 total cpu time spent up to now is 46.1 secs Computing kpt #: 9 total cpu time spent up to now is 46.9 secs Computing kpt #: 10 total cpu time spent up to now is 47.6 secs Computing kpt #: 11 total cpu time spent up to now is 48.4 secs Computing kpt #: 12 total cpu time spent up to now is 49.2 secs Computing kpt #: 13 total cpu time spent up to now is 50.2 secs Computing kpt #: 14 total cpu time spent up to now is 51.3 secs Computing kpt #: 15 total cpu time spent up to now is 52.5 secs Computing kpt #: 16 total cpu time spent up to now is 53.4 secs Computing kpt #: 17 total cpu time spent up to now is 54.2 secs Computing kpt #: 18 total cpu time spent up to now is 54.9 secs Computing kpt #: 19 total cpu time spent up to now is 55.7 secs Computing kpt #: 20 total cpu time spent up to now is 56.3 secs Computing kpt #: 21 total cpu time spent up to now is 56.9 secs Computing kpt #: 22 total cpu time spent up to now is 57.6 secs Computing kpt #: 23 total cpu time spent up to now is 58.3 secs Computing kpt #: 24 total cpu time spent up to now is 58.9 secs Computing kpt #: 25 total cpu time spent up to now is 59.6 secs Computing kpt #: 26 total cpu time spent up to now is 60.3 secs Computing kpt #: 27 total cpu time spent up to now is 61.2 secs Computing kpt #: 28 total cpu time spent up to now is 61.9 secs Computing kpt #: 29 total cpu time spent up to now is 62.6 secs Computing kpt #: 30 total cpu time spent up to now is 63.3 secs Computing kpt #: 31 total cpu time spent up to now is 64.0 secs Computing kpt #: 32 total cpu time spent up to now is 64.7 secs Computing kpt #: 33 total cpu time spent up to now is 65.4 secs Computing kpt #: 34 total cpu time spent up to now is 66.2 secs Computing kpt #: 35 total cpu time spent up to now is 66.9 secs Computing kpt #: 36 total cpu time spent up to now is 67.7 secs Computing kpt #: 37 total cpu time spent up to now is 68.4 secs Computing kpt #: 38 total cpu time spent up to now is 69.1 secs Computing kpt #: 39 total cpu time spent up to now is 69.9 secs Computing kpt #: 40 total cpu time spent up to now is 70.6 secs Computing kpt #: 41 total cpu time spent up to now is 71.4 secs Computing kpt #: 42 total cpu time spent up to now is 72.2 secs Computing kpt #: 43 total cpu time spent up to now is 73.0 secs Computing kpt #: 44 total cpu time spent up to now is 74.0 secs Computing kpt #: 45 total cpu time spent up to now is 74.9 secs Computing kpt #: 46 total cpu time spent up to now is 75.8 secs Computing kpt #: 47 total cpu time spent up to now is 76.6 secs Computing kpt #: 48 total cpu time spent up to now is 77.3 secs Computing kpt #: 49 total cpu time spent up to now is 78.0 secs Computing kpt #: 50 total cpu time spent up to now is 78.7 secs Computing kpt #: 51 total cpu time spent up to now is 79.7 secs Computing kpt #: 52 total cpu time spent up to now is 80.5 secs Computing kpt #: 53 total cpu time spent up to now is 81.2 secs Computing kpt #: 54 total cpu time spent up to now is 81.9 secs Computing kpt #: 55 total cpu time spent up to now is 82.6 secs Computing kpt #: 56 total cpu time spent up to now is 83.3 secs Computing kpt #: 57 total cpu time spent up to now is 84.1 secs Computing kpt #: 58 total cpu time spent up to now is 84.8 secs Computing kpt #: 59 total cpu time spent up to now is 85.6 secs Computing kpt #: 60 total cpu time spent up to now is 86.3 secs Computing kpt #: 61 total cpu time spent up to now is 87.0 secs Computing kpt #: 62 total cpu time spent up to now is 87.7 secs Computing kpt #: 63 total cpu time spent up to now is 88.4 secs Computing kpt #: 64 total cpu time spent up to now is 89.1 secs Computing kpt #: 65 total cpu time spent up to now is 89.7 secs Computing kpt #: 66 total cpu time spent up to now is 90.6 secs Computing kpt #: 67 total cpu time spent up to now is 91.7 secs Computing kpt #: 68 total cpu time spent up to now is 92.5 secs Computing kpt #: 69 total cpu time spent up to now is 93.3 secs Computing kpt #: 70 total cpu time spent up to now is 94.0 secs Computing kpt #: 71 total cpu time spent up to now is 94.7 secs Computing kpt #: 72 total cpu time spent up to now is 95.4 secs Computing kpt #: 73 total cpu time spent up to now is 96.2 secs Computing kpt #: 74 total cpu time spent up to now is 96.9 secs Computing kpt #: 75 total cpu time spent up to now is 97.6 secs Computing kpt #: 76 total cpu time spent up to now is 98.3 secs Computing kpt #: 77 total cpu time spent up to now is 99.0 secs Computing kpt #: 78 total cpu time spent up to now is 99.7 secs Computing kpt #: 79 total cpu time spent up to now is 100.4 secs Computing kpt #: 80 total cpu time spent up to now is 101.1 secs Computing kpt #: 81 total cpu time spent up to now is 101.9 secs Computing kpt #: 82 total cpu time spent up to now is 102.7 secs Computing kpt #: 83 total cpu time spent up to now is 103.5 secs Computing kpt #: 84 total cpu time spent up to now is 104.3 secs Computing kpt #: 85 total cpu time spent up to now is 105.1 secs Computing kpt #: 86 total cpu time spent up to now is 105.9 secs Computing kpt #: 87 total cpu time spent up to now is 106.8 secs Computing kpt #: 88 total cpu time spent up to now is 107.6 secs Computing kpt #: 89 total cpu time spent up to now is 108.4 secs Computing kpt #: 90 total cpu time spent up to now is 109.3 secs Computing kpt #: 91 total cpu time spent up to now is 110.1 secs Computing kpt #: 92 total cpu time spent up to now is 111.0 secs Computing kpt #: 93 total cpu time spent up to now is 111.8 secs Computing kpt #: 94 total cpu time spent up to now is 112.7 secs Computing kpt #: 95 total cpu time spent up to now is 113.5 secs Computing kpt #: 96 total cpu time spent up to now is 114.4 secs Computing kpt #: 97 total cpu time spent up to now is 115.4 secs Computing kpt #: 98 total cpu time spent up to now is 116.2 secs Computing kpt #: 99 total cpu time spent up to now is 117.1 secs Computing kpt #: 100 total cpu time spent up to now is 118.1 secs Computing kpt #: 101 total cpu time spent up to now is 119.1 secs Computing kpt #: 102 total cpu time spent up to now is 120.1 secs Computing kpt #: 103 total cpu time spent up to now is 121.2 secs Computing kpt #: 104 total cpu time spent up to now is 122.3 secs Computing kpt #: 105 total cpu time spent up to now is 123.2 secs Computing kpt #: 106 total cpu time spent up to now is 124.0 secs Computing kpt #: 107 total cpu time spent up to now is 124.9 secs Computing kpt #: 108 total cpu time spent up to now is 125.7 secs Computing kpt #: 109 total cpu time spent up to now is 126.5 secs Computing kpt #: 110 total cpu time spent up to now is 127.3 secs Computing kpt #: 111 total cpu time spent up to now is 128.1 secs Computing kpt #: 112 total cpu time spent up to now is 128.9 secs Computing kpt #: 113 total cpu time spent up to now is 129.7 secs Computing kpt #: 114 total cpu time spent up to now is 130.4 secs Computing kpt #: 115 total cpu time spent up to now is 131.2 secs Computing kpt #: 116 total cpu time spent up to now is 131.9 secs Computing kpt #: 117 total cpu time spent up to now is 132.7 secs Computing kpt #: 118 total cpu time spent up to now is 133.6 secs Computing kpt #: 119 total cpu time spent up to now is 134.4 secs Computing kpt #: 120 total cpu time spent up to now is 135.1 secs Computing kpt #: 121 total cpu time spent up to now is 135.9 secs Computing kpt #: 122 total cpu time spent up to now is 136.6 secs Computing kpt #: 123 total cpu time spent up to now is 137.3 secs Computing kpt #: 124 total cpu time spent up to now is 138.1 secs Computing kpt #: 125 total cpu time spent up to now is 138.9 secs Computing kpt #: 126 total cpu time spent up to now is 139.7 secs Computing kpt #: 127 total cpu time spent up to now is 140.5 secs Computing kpt #: 128 total cpu time spent up to now is 141.3 secs Computing kpt #: 129 total cpu time spent up to now is 142.0 secs Computing kpt #: 130 total cpu time spent up to now is 142.8 secs Computing kpt #: 131 total cpu time spent up to now is 143.7 secs Computing kpt #: 132 total cpu time spent up to now is 144.5 secs Computing kpt #: 133 total cpu time spent up to now is 145.5 secs Computing kpt #: 134 total cpu time spent up to now is 146.5 secs Computing kpt #: 135 total cpu time spent up to now is 147.5 secs Computing kpt #: 136 total cpu time spent up to now is 148.7 secs Computing kpt #: 137 total cpu time spent up to now is 150.3 secs Computing kpt #: 138 total cpu time spent up to now is 151.9 secs Computing kpt #: 139 total cpu time spent up to now is 153.3 secs Computing kpt #: 140 total cpu time spent up to now is 154.9 secs Computing kpt #: 141 total cpu time spent up to now is 155.9 secs Computing kpt #: 142 total cpu time spent up to now is 157.0 secs Computing kpt #: 143 total cpu time spent up to now is 158.0 secs Computing kpt #: 144 total cpu time spent up to now is 159.0 secs Computing kpt #: 145 total cpu time spent up to now is 159.9 secs Computing kpt #: 146 total cpu time spent up to now is 160.8 secs Computing kpt #: 147 total cpu time spent up to now is 161.8 secs Computing kpt #: 148 total cpu time spent up to now is 162.8 secs Computing kpt #: 149 total cpu time spent up to now is 163.7 secs Computing kpt #: 150 total cpu time spent up to now is 164.8 secs Computing kpt #: 151 total cpu time spent up to now is 165.7 secs Computing kpt #: 152 total cpu time spent up to now is 166.6 secs Computing kpt #: 153 total cpu time spent up to now is 167.6 secs Computing kpt #: 154 total cpu time spent up to now is 168.4 secs Computing kpt #: 155 total cpu time spent up to now is 169.4 secs Computing kpt #: 156 total cpu time spent up to now is 170.2 secs Computing kpt #: 157 total cpu time spent up to now is 171.1 secs Computing kpt #: 158 total cpu time spent up to now is 172.0 secs Computing kpt #: 159 total cpu time spent up to now is 172.9 secs Computing kpt #: 160 total cpu time spent up to now is 173.8 secs Computing kpt #: 161 total cpu time spent up to now is 174.7 secs Computing kpt #: 162 total cpu time spent up to now is 175.6 secs Computing kpt #: 163 total cpu time spent up to now is 176.5 secs Computing kpt #: 164 total cpu time spent up to now is 177.4 secs Computing kpt #: 165 total cpu time spent up to now is 178.2 secs Computing kpt #: 166 total cpu time spent up to now is 179.0 secs Computing kpt #: 167 total cpu time spent up to now is 179.7 secs Computing kpt #: 168 total cpu time spent up to now is 180.5 secs Computing kpt #: 169 total cpu time spent up to now is 181.4 secs Computing kpt #: 170 total cpu time spent up to now is 182.2 secs Computing kpt #: 171 total cpu time spent up to now is 183.1 secs Computing kpt #: 172 total cpu time spent up to now is 184.0 secs Computing kpt #: 173 total cpu time spent up to now is 185.2 secs Computing kpt #: 174 total cpu time spent up to now is 186.2 secs Computing kpt #: 175 total cpu time spent up to now is 187.1 secs Computing kpt #: 176 total cpu time spent up to now is 188.0 secs Computing kpt #: 177 total cpu time spent up to now is 188.8 secs Computing kpt #: 178 total cpu time spent up to now is 189.6 secs Computing kpt #: 179 total cpu time spent up to now is 190.4 secs Computing kpt #: 180 total cpu time spent up to now is 191.1 secs Computing kpt #: 181 total cpu time spent up to now is 191.8 secs Computing kpt #: 182 total cpu time spent up to now is 192.6 secs Computing kpt #: 183 total cpu time spent up to now is 193.5 secs Computing kpt #: 184 total cpu time spent up to now is 194.2 secs Computing kpt #: 185 total cpu time spent up to now is 194.9 secs Computing kpt #: 186 total cpu time spent up to now is 195.7 secs Computing kpt #: 187 total cpu time spent up to now is 196.4 secs Computing kpt #: 188 total cpu time spent up to now is 197.1 secs Computing kpt #: 189 total cpu time spent up to now is 197.9 secs Computing kpt #: 190 total cpu time spent up to now is 198.9 secs Computing kpt #: 191 total cpu time spent up to now is 199.7 secs Computing kpt #: 192 total cpu time spent up to now is 200.5 secs Computing kpt #: 193 total cpu time spent up to now is 201.4 secs Computing kpt #: 194 total cpu time spent up to now is 202.1 secs Computing kpt #: 195 total cpu time spent up to now is 202.9 secs Computing kpt #: 196 total cpu time spent up to now is 203.6 secs Computing kpt #: 197 total cpu time spent up to now is 204.5 secs Computing kpt #: 198 total cpu time spent up to now is 205.3 secs Computing kpt #: 199 total cpu time spent up to now is 206.2 secs Computing kpt #: 200 total cpu time spent up to now is 207.0 secs Computing kpt #: 201 total cpu time spent up to now is 207.8 secs Computing kpt #: 202 total cpu time spent up to now is 208.6 secs Computing kpt #: 203 total cpu time spent up to now is 209.5 secs Computing kpt #: 204 total cpu time spent up to now is 210.5 secs Computing kpt #: 205 total cpu time spent up to now is 211.4 secs Computing kpt #: 206 total cpu time spent up to now is 212.5 secs Computing kpt #: 207 total cpu time spent up to now is 213.6 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.6 secs Computing kpt #: 209 total cpu time spent up to now is 217.0 secs Computing kpt #: 210 total cpu time spent up to now is 218.3 secs Computing kpt #: 211 total cpu time spent up to now is 219.4 secs Computing kpt #: 212 total cpu time spent up to now is 220.4 secs Computing kpt #: 213 total cpu time spent up to now is 221.4 secs Computing kpt #: 214 total cpu time spent up to now is 222.3 secs Computing kpt #: 215 total cpu time spent up to now is 223.3 secs Computing kpt #: 216 total cpu time spent up to now is 224.3 secs Computing kpt #: 217 total cpu time spent up to now is 225.2 secs Computing kpt #: 218 total cpu time spent up to now is 226.2 secs Computing kpt #: 219 total cpu time spent up to now is 227.2 secs Computing kpt #: 220 total cpu time spent up to now is 228.5 secs Computing kpt #: 221 total cpu time spent up to now is 230.1 secs Computing kpt #: 222 total cpu time spent up to now is 231.1 secs Computing kpt #: 223 total cpu time spent up to now is 232.0 secs Computing kpt #: 224 total cpu time spent up to now is 232.8 secs Computing kpt #: 225 total cpu time spent up to now is 233.5 secs Computing kpt #: 226 total cpu time spent up to now is 234.3 secs Computing kpt #: 227 total cpu time spent up to now is 235.0 secs Computing kpt #: 228 total cpu time spent up to now is 235.6 secs Computing kpt #: 229 total cpu time spent up to now is 236.3 secs Computing kpt #: 230 total cpu time spent up to now is 236.9 secs Computing kpt #: 231 total cpu time spent up to now is 237.5 secs Computing kpt #: 232 total cpu time spent up to now is 238.1 secs Computing kpt #: 233 total cpu time spent up to now is 238.8 secs Computing kpt #: 234 total cpu time spent up to now is 239.4 secs Computing kpt #: 235 total cpu time spent up to now is 240.1 secs Computing kpt #: 236 total cpu time spent up to now is 240.8 secs Computing kpt #: 237 total cpu time spent up to now is 241.5 secs Computing kpt #: 238 total cpu time spent up to now is 242.2 secs Computing kpt #: 239 total cpu time spent up to now is 242.9 secs Computing kpt #: 240 total cpu time spent up to now is 243.5 secs Computing kpt #: 241 total cpu time spent up to now is 244.2 secs Computing kpt #: 242 total cpu time spent up to now is 244.8 secs Computing kpt #: 243 total cpu time spent up to now is 245.5 secs Computing kpt #: 244 total cpu time spent up to now is 246.1 secs Computing kpt #: 245 total cpu time spent up to now is 246.8 secs Computing kpt #: 246 total cpu time spent up to now is 247.4 secs Computing kpt #: 247 total cpu time spent up to now is 248.2 secs Computing kpt #: 248 total cpu time spent up to now is 248.8 secs Computing kpt #: 249 total cpu time spent up to now is 249.5 secs Computing kpt #: 250 total cpu time spent up to now is 250.1 secs Computing kpt #: 251 total cpu time spent up to now is 250.8 secs Computing kpt #: 252 total cpu time spent up to now is 251.4 secs Computing kpt #: 253 total cpu time spent up to now is 252.1 secs Computing kpt #: 254 total cpu time spent up to now is 252.7 secs Computing kpt #: 255 total cpu time spent up to now is 253.5 secs Computing kpt #: 256 total cpu time spent up to now is 254.2 secs Computing kpt #: 257 total cpu time spent up to now is 254.8 secs Computing kpt #: 258 total cpu time spent up to now is 255.4 secs Computing kpt #: 259 total cpu time spent up to now is 256.1 secs Computing kpt #: 260 total cpu time spent up to now is 256.7 secs Computing kpt #: 261 total cpu time spent up to now is 257.4 secs Computing kpt #: 262 total cpu time spent up to now is 258.1 secs Computing kpt #: 263 total cpu time spent up to now is 258.9 secs Computing kpt #: 264 total cpu time spent up to now is 259.6 secs Computing kpt #: 265 total cpu time spent up to now is 260.3 secs Computing kpt #: 266 total cpu time spent up to now is 260.9 secs Computing kpt #: 267 total cpu time spent up to now is 261.6 secs Computing kpt #: 268 total cpu time spent up to now is 262.4 secs Computing kpt #: 269 total cpu time spent up to now is 263.2 secs Computing kpt #: 270 total cpu time spent up to now is 264.0 secs Computing kpt #: 271 total cpu time spent up to now is 264.9 secs Computing kpt #: 272 total cpu time spent up to now is 265.8 secs Computing kpt #: 273 total cpu time spent up to now is 266.7 secs Computing kpt #: 274 total cpu time spent up to now is 267.6 secs Computing kpt #: 275 total cpu time spent up to now is 268.5 secs Computing kpt #: 276 total cpu time spent up to now is 269.3 secs Computing kpt #: 277 total cpu time spent up to now is 270.2 secs Computing kpt #: 278 total cpu time spent up to now is 271.1 secs Computing kpt #: 279 total cpu time spent up to now is 272.0 secs Computing kpt #: 280 total cpu time spent up to now is 272.8 secs Computing kpt #: 281 total cpu time spent up to now is 273.6 secs Computing kpt #: 282 total cpu time spent up to now is 274.4 secs Computing kpt #: 283 total cpu time spent up to now is 275.3 secs Computing kpt #: 284 total cpu time spent up to now is 276.1 secs Computing kpt #: 285 total cpu time spent up to now is 276.9 secs Computing kpt #: 286 total cpu time spent up to now is 277.9 secs Computing kpt #: 287 total cpu time spent up to now is 278.7 secs Computing kpt #: 288 total cpu time spent up to now is 279.4 secs Computing kpt #: 289 total cpu time spent up to now is 280.1 secs Computing kpt #: 290 total cpu time spent up to now is 280.9 secs Computing kpt #: 291 total cpu time spent up to now is 281.6 secs Computing kpt #: 292 total cpu time spent up to now is 282.3 secs Computing kpt #: 293 total cpu time spent up to now is 282.9 secs Computing kpt #: 294 total cpu time spent up to now is 283.6 secs Computing kpt #: 295 total cpu time spent up to now is 284.2 secs Computing kpt #: 296 total cpu time spent up to now is 284.8 secs Computing kpt #: 297 total cpu time spent up to now is 285.4 secs Computing kpt #: 298 total cpu time spent up to now is 286.0 secs Computing kpt #: 299 total cpu time spent up to now is 286.7 secs Computing kpt #: 300 total cpu time spent up to now is 287.3 secs Computing kpt #: 301 total cpu time spent up to now is 287.9 secs Computing kpt #: 302 total cpu time spent up to now is 288.5 secs Computing kpt #: 303 total cpu time spent up to now is 289.2 secs Computing kpt #: 304 total cpu time spent up to now is 289.8 secs Computing kpt #: 305 total cpu time spent up to now is 290.4 secs Computing kpt #: 306 total cpu time spent up to now is 291.1 secs Computing kpt #: 307 total cpu time spent up to now is 291.7 secs Computing kpt #: 308 total cpu time spent up to now is 292.3 secs Computing kpt #: 309 total cpu time spent up to now is 292.9 secs Computing kpt #: 310 total cpu time spent up to now is 293.5 secs Computing kpt #: 311 total cpu time spent up to now is 294.0 secs Computing kpt #: 312 total cpu time spent up to now is 294.6 secs Computing kpt #: 313 total cpu time spent up to now is 295.3 secs Computing kpt #: 314 total cpu time spent up to now is 296.0 secs Computing kpt #: 315 total cpu time spent up to now is 296.6 secs Computing kpt #: 316 total cpu time spent up to now is 297.2 secs Computing kpt #: 317 total cpu time spent up to now is 297.8 secs Computing kpt #: 318 total cpu time spent up to now is 298.4 secs Computing kpt #: 319 total cpu time spent up to now is 299.0 secs Computing kpt #: 320 total cpu time spent up to now is 299.6 secs Computing kpt #: 321 total cpu time spent up to now is 300.1 secs Computing kpt #: 322 total cpu time spent up to now is 300.8 secs Computing kpt #: 323 total cpu time spent up to now is 301.3 secs Computing kpt #: 324 total cpu time spent up to now is 302.0 secs Computing kpt #: 325 total cpu time spent up to now is 302.6 secs Computing kpt #: 326 total cpu time spent up to now is 303.2 secs Computing kpt #: 327 total cpu time spent up to now is 303.9 secs Computing kpt #: 328 total cpu time spent up to now is 304.4 secs Computing kpt #: 329 total cpu time spent up to now is 305.0 secs Computing kpt #: 330 total cpu time spent up to now is 305.7 secs Computing kpt #: 331 total cpu time spent up to now is 306.3 secs Computing kpt #: 332 total cpu time spent up to now is 307.3 secs Computing kpt #: 333 total cpu time spent up to now is 307.9 secs Computing kpt #: 334 total cpu time spent up to now is 308.6 secs Computing kpt #: 335 total cpu time spent up to now is 309.4 secs Computing kpt #: 336 total cpu time spent up to now is 310.0 secs Computing kpt #: 337 total cpu time spent up to now is 310.7 secs Computing kpt #: 338 total cpu time spent up to now is 311.3 secs Computing kpt #: 339 total cpu time spent up to now is 312.0 secs Computing kpt #: 340 total cpu time spent up to now is 312.7 secs Computing kpt #: 341 total cpu time spent up to now is 313.5 secs Computing kpt #: 342 total cpu time spent up to now is 314.2 secs Computing kpt #: 343 total cpu time spent up to now is 315.0 secs Computing kpt #: 344 total cpu time spent up to now is 315.7 secs Computing kpt #: 345 total cpu time spent up to now is 316.4 secs Computing kpt #: 346 total cpu time spent up to now is 317.1 secs Computing kpt #: 347 total cpu time spent up to now is 317.8 secs Computing kpt #: 348 total cpu time spent up to now is 318.5 secs Computing kpt #: 349 total cpu time spent up to now is 319.3 secs Computing kpt #: 350 total cpu time spent up to now is 320.1 secs Computing kpt #: 351 total cpu time spent up to now is 320.9 secs Computing kpt #: 352 total cpu time spent up to now is 321.7 secs Computing kpt #: 353 total cpu time spent up to now is 322.5 secs Computing kpt #: 354 total cpu time spent up to now is 323.4 secs Computing kpt #: 355 total cpu time spent up to now is 324.2 secs Computing kpt #: 356 total cpu time spent up to now is 325.1 secs Computing kpt #: 357 total cpu time spent up to now is 325.9 secs Computing kpt #: 358 total cpu time spent up to now is 326.7 secs Computing kpt #: 359 total cpu time spent up to now is 327.5 secs Computing kpt #: 360 total cpu time spent up to now is 328.2 secs Computing kpt #: 361 total cpu time spent up to now is 329.0 secs Computing kpt #: 362 total cpu time spent up to now is 329.7 secs Computing kpt #: 363 total cpu time spent up to now is 330.5 secs Computing kpt #: 364 total cpu time spent up to now is 331.3 secs Computing kpt #: 365 total cpu time spent up to now is 332.0 secs Computing kpt #: 366 total cpu time spent up to now is 332.7 secs Computing kpt #: 367 total cpu time spent up to now is 333.4 secs Computing kpt #: 368 total cpu time spent up to now is 334.1 secs Computing kpt #: 369 total cpu time spent up to now is 334.9 secs Computing kpt #: 370 total cpu time spent up to now is 335.7 secs Computing kpt #: 371 total cpu time spent up to now is 336.7 secs Computing kpt #: 372 total cpu time spent up to now is 337.5 secs Computing kpt #: 373 total cpu time spent up to now is 338.4 secs Computing kpt #: 374 total cpu time spent up to now is 339.2 secs Computing kpt #: 375 total cpu time spent up to now is 340.1 secs Computing kpt #: 376 total cpu time spent up to now is 341.1 secs Computing kpt #: 377 total cpu time spent up to now is 342.1 secs Computing kpt #: 378 total cpu time spent up to now is 343.0 secs Computing kpt #: 379 total cpu time spent up to now is 343.9 secs Computing kpt #: 380 total cpu time spent up to now is 344.7 secs Computing kpt #: 381 total cpu time spent up to now is 345.6 secs Computing kpt #: 382 total cpu time spent up to now is 346.4 secs Computing kpt #: 383 total cpu time spent up to now is 347.2 secs Computing kpt #: 384 total cpu time spent up to now is 348.1 secs Computing kpt #: 385 total cpu time spent up to now is 348.9 secs Computing kpt #: 386 total cpu time spent up to now is 350.2 secs Computing kpt #: 387 total cpu time spent up to now is 351.0 secs Computing kpt #: 388 total cpu time spent up to now is 351.7 secs Computing kpt #: 389 total cpu time spent up to now is 352.4 secs Computing kpt #: 390 total cpu time spent up to now is 353.1 secs Computing kpt #: 391 total cpu time spent up to now is 353.9 secs Computing kpt #: 392 total cpu time spent up to now is 354.6 secs Computing kpt #: 393 total cpu time spent up to now is 355.4 secs Computing kpt #: 394 total cpu time spent up to now is 356.1 secs Computing kpt #: 395 total cpu time spent up to now is 356.8 secs Computing kpt #: 396 total cpu time spent up to now is 357.5 secs Computing kpt #: 397 total cpu time spent up to now is 358.1 secs Computing kpt #: 398 total cpu time spent up to now is 358.8 secs Computing kpt #: 399 total cpu time spent up to now is 359.5 secs Computing kpt #: 400 total cpu time spent up to now is 360.1 secs Computing kpt #: 401 total cpu time spent up to now is 360.8 secs Computing kpt #: 402 total cpu time spent up to now is 361.5 secs Computing kpt #: 403 total cpu time spent up to now is 362.1 secs Computing kpt #: 404 total cpu time spent up to now is 362.8 secs Computing kpt #: 405 total cpu time spent up to now is 363.4 secs Computing kpt #: 406 total cpu time spent up to now is 364.1 secs Computing kpt #: 407 total cpu time spent up to now is 364.8 secs Computing kpt #: 408 total cpu time spent up to now is 365.5 secs Computing kpt #: 409 total cpu time spent up to now is 366.2 secs Computing kpt #: 410 total cpu time spent up to now is 366.9 secs Computing kpt #: 411 total cpu time spent up to now is 367.6 secs Computing kpt #: 412 total cpu time spent up to now is 368.2 secs Computing kpt #: 413 total cpu time spent up to now is 368.8 secs Computing kpt #: 414 total cpu time spent up to now is 370.3 secs Computing kpt #: 415 total cpu time spent up to now is 371.8 secs Computing kpt #: 416 total cpu time spent up to now is 372.9 secs Computing kpt #: 417 total cpu time spent up to now is 374.0 secs Computing kpt #: 418 total cpu time spent up to now is 375.0 secs Computing kpt #: 419 total cpu time spent up to now is 376.0 secs Computing kpt #: 420 total cpu time spent up to now is 377.0 secs Computing kpt #: 421 total cpu time spent up to now is 378.0 secs Computing kpt #: 422 total cpu time spent up to now is 379.2 secs Computing kpt #: 423 total cpu time spent up to now is 380.2 secs Computing kpt #: 424 total cpu time spent up to now is 381.2 secs Computing kpt #: 425 total cpu time spent up to now is 382.2 secs Computing kpt #: 426 total cpu time spent up to now is 383.2 secs Computing kpt #: 427 total cpu time spent up to now is 384.2 secs Computing kpt #: 428 total cpu time spent up to now is 385.2 secs Computing kpt #: 429 total cpu time spent up to now is 386.3 secs Computing kpt #: 430 total cpu time spent up to now is 387.6 secs Computing kpt #: 431 total cpu time spent up to now is 388.7 secs Computing kpt #: 432 total cpu time spent up to now is 390.0 secs Computing kpt #: 433 total cpu time spent up to now is 391.1 secs Computing kpt #: 434 total cpu time spent up to now is 392.2 secs Computing kpt #: 435 total cpu time spent up to now is 393.3 secs Computing kpt #: 436 total cpu time spent up to now is 394.4 secs Computing kpt #: 437 total cpu time spent up to now is 395.6 secs Computing kpt #: 438 total cpu time spent up to now is 397.0 secs Computing kpt #: 439 total cpu time spent up to now is 398.5 secs Computing kpt #: 440 total cpu time spent up to now is 399.5 secs Computing kpt #: 441 total cpu time spent up to now is 400.4 secs Computing kpt #: 442 total cpu time spent up to now is 401.2 secs Computing kpt #: 443 total cpu time spent up to now is 402.1 secs Computing kpt #: 444 total cpu time spent up to now is 403.1 secs Computing kpt #: 445 total cpu time spent up to now is 404.0 secs Computing kpt #: 446 total cpu time spent up to now is 404.9 secs Computing kpt #: 447 total cpu time spent up to now is 405.9 secs Computing kpt #: 448 total cpu time spent up to now is 406.8 secs Computing kpt #: 449 total cpu time spent up to now is 407.7 secs Computing kpt #: 450 total cpu time spent up to now is 408.7 secs Computing kpt #: 451 total cpu time spent up to now is 409.6 secs Computing kpt #: 452 total cpu time spent up to now is 410.6 secs Computing kpt #: 453 total cpu time spent up to now is 411.4 secs Computing kpt #: 454 total cpu time spent up to now is 412.1 secs Computing kpt #: 455 total cpu time spent up to now is 412.9 secs Computing kpt #: 456 total cpu time spent up to now is 413.7 secs Computing kpt #: 457 total cpu time spent up to now is 414.4 secs Computing kpt #: 458 total cpu time spent up to now is 415.2 secs Computing kpt #: 459 total cpu time spent up to now is 416.0 secs Computing kpt #: 460 total cpu time spent up to now is 417.1 secs Computing kpt #: 461 total cpu time spent up to now is 417.9 secs Computing kpt #: 462 total cpu time spent up to now is 418.8 secs Computing kpt #: 463 total cpu time spent up to now is 419.6 secs Computing kpt #: 464 total cpu time spent up to now is 420.4 secs Computing kpt #: 465 total cpu time spent up to now is 421.2 secs Computing kpt #: 466 total cpu time spent up to now is 422.1 secs Computing kpt #: 467 total cpu time spent up to now is 422.8 secs Computing kpt #: 468 total cpu time spent up to now is 423.5 secs Computing kpt #: 469 total cpu time spent up to now is 424.2 secs Computing kpt #: 470 total cpu time spent up to now is 424.9 secs Computing kpt #: 471 total cpu time spent up to now is 425.5 secs Computing kpt #: 472 total cpu time spent up to now is 426.2 secs Computing kpt #: 473 total cpu time spent up to now is 426.9 secs Computing kpt #: 474 total cpu time spent up to now is 427.6 secs Computing kpt #: 475 total cpu time spent up to now is 428.2 secs Computing kpt #: 476 total cpu time spent up to now is 428.9 secs Computing kpt #: 477 total cpu time spent up to now is 429.5 secs Computing kpt #: 478 total cpu time spent up to now is 430.2 secs Computing kpt #: 479 total cpu time spent up to now is 430.9 secs Computing kpt #: 480 total cpu time spent up to now is 431.5 secs Computing kpt #: 481 total cpu time spent up to now is 432.2 secs Computing kpt #: 482 total cpu time spent up to now is 433.1 secs Computing kpt #: 483 total cpu time spent up to now is 433.8 secs Computing kpt #: 484 total cpu time spent up to now is 434.4 secs Computing kpt #: 485 total cpu time spent up to now is 435.1 secs Computing kpt #: 486 total cpu time spent up to now is 435.8 secs Computing kpt #: 487 total cpu time spent up to now is 436.5 secs Computing kpt #: 488 total cpu time spent up to now is 437.2 secs Computing kpt #: 489 total cpu time spent up to now is 437.9 secs Computing kpt #: 490 total cpu time spent up to now is 438.6 secs Computing kpt #: 491 total cpu time spent up to now is 439.4 secs Computing kpt #: 492 total cpu time spent up to now is 440.2 secs Computing kpt #: 493 total cpu time spent up to now is 440.9 secs Computing kpt #: 494 total cpu time spent up to now is 441.6 secs Computing kpt #: 495 total cpu time spent up to now is 442.3 secs Computing kpt #: 496 total cpu time spent up to now is 443.1 secs Computing kpt #: 497 total cpu time spent up to now is 443.8 secs Computing kpt #: 498 total cpu time spent up to now is 444.6 secs Computing kpt #: 499 total cpu time spent up to now is 445.3 secs Computing kpt #: 500 total cpu time spent up to now is 446.1 secs Computing kpt #: 501 total cpu time spent up to now is 446.8 secs Computing kpt #: 502 total cpu time spent up to now is 447.5 secs Computing kpt #: 503 total cpu time spent up to now is 448.2 secs Computing kpt #: 504 total cpu time spent up to now is 449.0 secs Computing kpt #: 505 total cpu time spent up to now is 449.8 secs Computing kpt #: 506 total cpu time spent up to now is 450.6 secs Computing kpt #: 507 total cpu time spent up to now is 451.4 secs Computing kpt #: 508 total cpu time spent up to now is 452.2 secs Computing kpt #: 509 total cpu time spent up to now is 452.9 secs Computing kpt #: 510 total cpu time spent up to now is 453.7 secs Computing kpt #: 511 total cpu time spent up to now is 454.4 secs Computing kpt #: 512 total cpu time spent up to now is 455.2 secs Computing kpt #: 513 total cpu time spent up to now is 456.1 secs Computing kpt #: 514 total cpu time spent up to now is 457.2 secs Computing kpt #: 515 total cpu time spent up to now is 458.1 secs Computing kpt #: 516 total cpu time spent up to now is 458.9 secs Computing kpt #: 517 total cpu time spent up to now is 459.6 secs Computing kpt #: 518 total cpu time spent up to now is 460.4 secs Computing kpt #: 519 total cpu time spent up to now is 461.1 secs Computing kpt #: 520 total cpu time spent up to now is 461.8 secs Computing kpt #: 521 total cpu time spent up to now is 462.6 secs Computing kpt #: 522 total cpu time spent up to now is 463.3 secs Computing kpt #: 523 total cpu time spent up to now is 464.0 secs Computing kpt #: 524 total cpu time spent up to now is 464.7 secs Computing kpt #: 525 total cpu time spent up to now is 465.4 secs Computing kpt #: 526 total cpu time spent up to now is 466.0 secs Computing kpt #: 527 total cpu time spent up to now is 466.7 secs Computing kpt #: 528 total cpu time spent up to now is 467.3 secs Computing kpt #: 529 total cpu time spent up to now is 468.0 secs Computing kpt #: 530 total cpu time spent up to now is 468.7 secs Computing kpt #: 531 total cpu time spent up to now is 469.3 secs Computing kpt #: 532 total cpu time spent up to now is 470.0 secs Computing kpt #: 533 total cpu time spent up to now is 470.6 secs Computing kpt #: 534 total cpu time spent up to now is 471.1 secs Computing kpt #: 535 total cpu time spent up to now is 471.8 secs Computing kpt #: 536 total cpu time spent up to now is 472.4 secs Computing kpt #: 537 total cpu time spent up to now is 473.0 secs Computing kpt #: 538 total cpu time spent up to now is 473.6 secs Computing kpt #: 539 total cpu time spent up to now is 474.3 secs Computing kpt #: 540 total cpu time spent up to now is 474.9 secs Computing kpt #: 541 total cpu time spent up to now is 475.5 secs Computing kpt #: 542 total cpu time spent up to now is 476.1 secs Computing kpt #: 543 total cpu time spent up to now is 476.7 secs Computing kpt #: 544 total cpu time spent up to now is 477.3 secs Computing kpt #: 545 total cpu time spent up to now is 477.9 secs Computing kpt #: 546 total cpu time spent up to now is 478.6 secs Computing kpt #: 547 total cpu time spent up to now is 479.1 secs Computing kpt #: 548 total cpu time spent up to now is 479.7 secs ethr = 3.13E-11, avg # of iterations = 32.3 total cpu time spent up to now is 479.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1511 PWs) bands (ev): -9.2780 -9.2780 -3.8175 -3.8175 -1.2441 -1.2441 -0.7624 -0.7624 1.1180 1.1180 1.7815 1.7815 3.3394 3.3394 5.0788 5.0788 6.5352 6.5352 6.5886 6.5886 6.7421 6.7421 7.0340 7.0340 8.0413 8.0413 12.8455 12.8455 13.0144 13.0144 13.2316 13.2316 15.2262 15.2262 16.4800 16.4800 17.8355 17.8355 18.1774 18.1774 k = 0.0111-0.0000-0.0000 ( 1511 PWs) bands (ev): -9.2769 -9.2769 -3.8206 -3.8206 -1.2435 -1.2435 -0.7630 -0.7630 1.1190 1.1191 1.7823 1.7823 3.3442 3.3443 5.0780 5.0781 6.5325 6.5327 6.5855 6.5857 6.7399 6.7400 7.0356 7.0357 8.0404 8.0404 12.8414 12.8418 13.0103 13.0108 13.2289 13.2289 15.2293 15.2294 16.4847 16.4848 17.8354 17.8357 18.1830 18.1833 k = 0.0222-0.0000-0.0000 ( 1511 PWs) bands (ev): -9.2738 -9.2738 -3.8299 -3.8299 -1.2417 -1.2417 -0.7650 -0.7650 1.1223 1.1224 1.7847 1.7848 3.3588 3.3589 5.0758 5.0760 6.5248 6.5251 6.5764 6.5768 6.7333 6.7335 7.0406 7.0409 8.0377 8.0377 12.8294 12.8303 12.9985 12.9995 13.2208 13.2208 15.2386 15.2388 16.4989 16.4990 17.8357 17.8364 18.1998 18.2003 k = 0.0333-0.0000-0.0000 ( 1509 PWs) bands (ev): -9.2686 -9.2686 -3.8454 -3.8454 -1.2387 -1.2386 -0.7682 -0.7682 1.1277 1.1278 1.7888 1.7890 3.3829 3.3832 5.0721 5.0724 6.5121 6.5125 6.5617 6.5623 6.7223 6.7226 7.0488 7.0491 8.0333 8.0334 12.8099 12.8112 12.9793 12.9807 13.2074 13.2074 15.2541 15.2543 16.5225 16.5227 17.8373 17.8382 18.2270 18.2277 k = 0.0444-0.0000-0.0000 ( 1509 PWs) bands (ev): -9.2613 -9.2612 -3.8670 -3.8669 -1.2345 -1.2344 -0.7725 -0.7724 1.1352 1.1353 1.7945 1.7948 3.4164 3.4167 5.0669 5.0673 6.4945 6.4950 6.5415 6.5423 6.7070 6.7074 7.0599 7.0603 8.0274 8.0275 12.7830 12.7847 12.9526 12.9545 13.1888 13.1888 15.2757 15.2759 16.5554 16.5557 17.8410 17.8422 18.2636 18.2644 k = 0.0556-0.0000-0.0000 ( 1509 PWs) bands (ev): -9.2519 -9.2519 -3.8946 -3.8945 -1.2292 -1.2290 -0.7775 -0.7774 1.1448 1.1449 1.8019 1.8022 3.4590 3.4593 5.0602 5.0607 6.4723 6.4729 6.5164 6.5173 6.6875 6.6879 7.0737 7.0741 8.0200 8.0201 12.7489 12.7510 12.9188 12.9212 13.1647 13.1647 15.3030 15.3033 16.5974 16.5977 17.8479 17.8493 18.3087 18.3096 k = 0.0667-0.0000-0.0000 ( 1505 PWs) bands (ev): -9.2404 -9.2404 -3.9280 -3.9279 -1.2226 -1.2225 -0.7832 -0.7831 1.1563 1.1565 1.8109 1.8113 3.5101 3.5106 5.0519 5.0525 6.4456 6.4463 6.4866 6.4877 6.6637 6.6643 7.0898 7.0903 8.0115 8.0116 12.7078 12.7102 12.8780 12.8808 13.1356 13.1356 15.3359 15.3362 16.6483 16.6487 17.8588 17.8603 18.3614 18.3623 k = 0.0778-0.0000-0.0000 ( 1509 PWs) bands (ev): -9.2268 -9.2268 -3.9671 -3.9670 -1.2149 -1.2148 -0.7891 -0.7890 1.1698 1.1700 1.8214 1.8219 3.5694 3.5699 5.0419 5.0427 6.4148 6.4156 6.4525 6.4537 6.6359 6.6366 7.1081 7.1086 8.0020 8.0021 12.6602 12.6630 12.8306 12.8337 13.1013 13.1014 15.3740 15.3744 16.7079 16.7084 17.8743 17.8759 18.4210 18.4219 k = 0.0889-0.0000-0.0000 ( 1506 PWs) bands (ev): -9.2112 -9.2112 -4.0118 -4.0116 -1.2061 -1.2059 -0.7951 -0.7950 1.1851 1.1853 1.8336 1.8341 3.6363 3.6368 5.0303 5.0312 6.3803 6.3811 6.4144 6.4157 6.6042 6.6050 7.1285 7.1290 7.9918 7.9920 12.6065 12.6096 12.7770 12.7805 13.0622 13.0622 15.4171 15.4174 16.7759 16.7765 17.8949 17.8966 18.4869 18.4877 k = 0.1000-0.0000-0.0000 ( 1506 PWs) bands (ev): -9.1934 -9.1934 -4.0617 -4.0615 -1.1962 -1.1960 -0.8009 -0.8007 1.2023 1.2024 1.8473 1.8479 3.7102 3.7108 5.0170 5.0180 6.3423 6.3433 6.3726 6.3740 6.5687 6.5696 7.1509 7.1513 7.9813 7.9815 12.5471 12.5505 12.7176 12.7214 13.0182 13.0182 15.4646 15.4650 16.8520 16.8526 17.9210 17.9229 18.5585 18.5594 k = 0.1111-0.0000-0.0000 ( 1496 PWs) bands (ev): -9.1736 -9.1736 -4.1166 -4.1165 -1.1852 -1.1849 -0.8061 -0.8059 1.2211 1.2213 1.8626 1.8633 3.7905 3.7912 5.0019 5.0030 6.3014 6.3025 6.3274 6.3288 6.5296 6.5306 7.1751 7.1755 7.9708 7.9711 12.4823 12.4860 12.6527 12.6568 12.9693 12.9694 15.5162 15.5166 16.9360 16.9366 17.9531 17.9550 18.6357 18.6365 k = 0.1222-0.0000-0.0000 ( 1494 PWs) bands (ev): -9.1517 -9.1517 -4.1764 -4.1762 -1.1731 -1.1728 -0.8107 -0.8105 1.2417 1.2418 1.8794 1.8801 3.8765 3.8772 4.9849 4.9861 6.2580 6.2592 6.2789 6.2805 6.4870 6.4881 7.2012 7.2016 7.9606 7.9609 12.4127 12.4166 12.5826 12.5870 12.9158 12.9158 15.5714 15.5717 17.0274 17.0281 17.9914 17.9933 18.7178 18.7186 k = 0.1333-0.0000-0.0000 ( 1492 PWs) bands (ev): -9.1278 -9.1278 -4.2406 -4.2404 -1.1601 -1.1598 -0.8145 -0.8142 1.2638 1.2639 1.8977 1.8985 3.9674 3.9682 4.9660 4.9674 6.2128 6.2139 6.2275 6.2291 6.4411 6.4424 7.2291 7.2294 7.9510 7.9513 12.3387 12.3428 12.5080 12.5126 12.8578 12.8578 15.6296 15.6300 17.1259 17.1266 18.0360 18.0381 18.8047 18.8054 k = 0.1444-0.0000-0.0000 ( 1488 PWs) bands (ev): -9.1018 -9.1018 -4.3091 -4.3089 -1.1460 -1.1457 -0.8172 -0.8169 1.2876 1.2876 1.9175 1.9183 4.0625 4.0633 4.9453 4.9467 6.1662 6.1674 6.1734 6.1751 6.3922 6.3937 7.2588 7.2591 7.9423 7.9428 12.2606 12.2649 12.4291 12.4339 12.7955 12.7955 15.6904 15.6907 17.2311 17.2319 18.0873 18.0894 18.8960 18.8967 k = 0.1556-0.0000-0.0000 ( 1490 PWs) bands (ev): -9.0737 -9.0737 -4.3815 -4.3813 -1.1311 -1.1307 -0.8187 -0.8184 1.3129 1.3129 1.9386 1.9396 4.1608 4.1616 4.9226 4.9241 6.1163 6.1179 6.1196 6.1210 6.3405 6.3421 7.2903 7.2906 7.9350 7.9355 12.1790 12.1834 12.3463 12.3513 12.7287 12.7288 15.7533 15.7536 17.3426 17.3435 18.1454 18.1475 18.9914 18.9920 k = 0.1667-0.0000-0.0000 ( 1490 PWs) bands (ev): -9.0436 -9.0436 -4.4575 -4.4573 -1.1152 -1.1148 -0.8191 -0.8188 1.3397 1.3397 1.9612 1.9622 4.2612 4.2621 4.8979 4.8996 6.0577 6.0595 6.0726 6.0739 6.2863 6.2881 7.3237 7.3239 7.9292 7.9298 12.0941 12.0987 12.2601 12.2653 12.6580 12.6580 15.8177 15.8180 17.4601 17.4610 18.2103 18.2125 18.9947 18.9949 k = 0.1778-0.0000-0.0000 ( 1490 PWs) bands (ev): -9.0114 -9.0114 -4.5369 -4.5367 -1.0985 -1.0981 -0.8182 -0.8179 1.3679 1.3680 1.9850 1.9861 4.3625 4.3634 4.8714 4.8732 5.9968 5.9987 6.0271 6.0284 6.2300 6.2320 7.3589 7.3590 7.9253 7.9260 12.0065 12.0111 12.1708 12.1762 12.5833 12.5833 15.8833 15.8836 17.5831 17.5841 18.2822 18.2845 18.9659 18.9661 k = 0.1889-0.0000-0.0000 ( 1490 PWs) bands (ev): -8.9772 -8.9772 -4.6192 -4.6190 -1.0811 -1.0806 -0.8161 -0.8157 1.3976 1.3977 2.0101 2.0113 4.4632 4.4640 4.8430 4.8450 5.9342 5.9361 5.9842 5.9854 6.1721 6.1743 7.3959 7.3959 7.9235 7.9243 11.9163 11.9211 12.0789 12.0843 12.5048 12.5048 15.9496 15.9499 17.7112 17.7122 18.3611 18.3634 18.9352 18.9353 k = 0.2000-0.0000-0.0000 ( 1496 PWs) bands (ev): -8.9410 -8.9410 -4.7043 -4.7041 -1.0629 -1.0624 -0.8127 -0.8123 1.4287 1.4288 2.0364 2.0377 4.5610 4.5619 4.8129 4.8150 5.8700 5.8720 5.9451 5.9461 6.1134 6.1159 7.4347 7.4347 7.9242 7.9250 11.8240 11.8289 11.9846 11.9901 12.4226 12.4227 16.0162 16.0165 17.8440 17.8450 18.4470 18.4493 18.9028 18.9029 k = 0.2111-0.0000-0.0000 ( 1498 PWs) bands (ev): -8.9028 -8.9028 -4.7919 -4.7917 -1.0440 -1.0435 -0.8081 -0.8077 1.4611 1.4613 2.0639 2.0653 4.6537 4.6545 4.7811 4.7833 5.8045 5.8066 5.9107 5.9114 6.0557 6.0587 7.4752 7.4753 7.9274 7.9283 11.7299 11.7349 11.8882 11.8939 12.3370 12.3370 16.0829 16.0831 17.9809 17.9820 18.5397 18.5421 18.8691 18.8692 k = 0.2222-0.0000-0.0000 ( 1490 PWs) bands (ev): -8.8625 -8.8625 -4.8815 -4.8813 -1.0245 -1.0240 -0.8023 -0.8018 1.4949 1.4952 2.0924 2.0939 4.7377 4.7379 4.7487 4.7505 5.7381 5.7402 5.8800 5.8802 6.0036 6.0071 7.5175 7.5177 7.9333 7.9344 11.6345 11.6395 11.7902 11.7959 12.2479 12.2480 16.1494 16.1496 18.1212 18.1223 18.6393 18.6417 18.8347 18.8347 k = 0.2333-0.0000-0.0000 ( 1496 PWs) bands (ev): -8.8203 -8.8202 -4.9731 -4.9729 -1.0046 -1.0040 -0.7954 -0.7949 1.5300 1.5303 2.1218 2.1234 4.7129 4.7154 4.8103 4.8110 5.6709 5.6731 5.8457 5.8458 5.9678 5.9717 7.5615 7.5619 7.9422 7.9434 11.5376 11.5427 11.6907 11.6965 12.1557 12.1557 16.2153 16.2155 18.2638 18.2649 18.7452 18.7478 18.8002 18.8003 k = 0.2444-0.0000-0.0000 ( 1500 PWs) bands (ev): -8.7760 -8.7760 -5.0662 -5.0661 -0.9842 -0.9836 -0.7876 -0.7870 1.5663 1.5667 2.1521 2.1538 4.6770 4.6796 4.8666 4.8670 5.6032 5.6054 5.7984 5.7986 5.9623 5.9658 7.6072 7.6077 7.9541 7.9555 11.4398 11.4450 11.5901 11.5959 12.0604 12.0604 16.2807 16.2809 18.4060 18.4071 18.7678 18.7680 18.8579 18.8602 k = 0.2556-0.0000-0.0000 ( 1500 PWs) bands (ev): -8.7298 -8.7298 -5.1608 -5.1606 -0.9634 -0.9627 -0.7788 -0.7782 1.6038 1.6043 2.1831 2.1849 4.6401 4.6429 4.9046 4.9047 5.5352 5.5375 5.7391 5.7398 5.9884 5.9912 7.6544 7.6551 7.9692 7.9707 11.3413 11.3465 11.4886 11.4945 11.9623 11.9623 16.3453 16.3455 18.5374 18.5384 18.7480 18.7483 18.9762 18.9787 k = 0.2667-0.0000-0.0000 ( 1504 PWs) bands (ev): -8.6816 -8.6816 -5.2565 -5.2563 -0.9423 -0.9417 -0.7692 -0.7686 1.6425 1.6431 2.2147 2.2166 4.6024 4.6054 4.9235 4.9237 5.4673 5.4696 5.6737 5.6749 6.0408 6.0431 7.7032 7.7041 7.9875 7.9893 11.2422 11.2475 11.3865 11.3925 11.8614 11.8614 16.4091 16.4093 18.6090 18.6094 18.7894 18.7904 19.1003 19.1028 k = 0.2778-0.0000-0.0000 ( 1508 PWs) bands (ev): -8.6315 -8.6315 -5.3531 -5.3529 -0.9211 -0.9204 -0.7589 -0.7583 1.6823 1.6829 2.2466 2.2487 4.5643 4.5674 4.9251 4.9256 5.3997 5.4021 5.6053 5.6068 6.1150 6.1168 7.7534 7.7545 8.0093 8.0113 11.1429 11.1481 11.2841 11.2901 11.7580 11.7581 16.4720 16.4722 18.5983 18.5985 18.9141 18.9153 19.2298 19.2323 k = 0.2889-0.0000-0.0000 ( 1508 PWs) bands (ev): -8.5794 -8.5794 -5.4505 -5.4503 -0.8997 -0.8990 -0.7481 -0.7475 1.7231 1.7238 2.2789 2.2811 4.5260 4.5293 4.9130 4.9137 5.3326 5.3351 5.5353 5.5371 6.2065 6.2080 7.8047 7.8060 8.0345 8.0368 11.0434 11.0487 11.1816 11.1876 11.6523 11.6523 16.5342 16.5343 18.5639 18.5640 19.0630 19.0643 19.3641 19.3666 k = 0.3000-0.0000-0.0000 ( 1508 PWs) bands (ev): -8.5254 -8.5254 -5.5484 -5.5482 -0.8784 -0.8776 -0.7369 -0.7362 1.7648 1.7656 2.3111 2.3135 4.4879 4.4913 4.8905 4.8914 5.2664 5.2689 5.4644 5.4664 6.3113 6.3124 7.8570 7.8586 8.0635 8.0660 10.9440 10.9493 11.0792 11.0852 11.5444 11.5445 16.5955 16.5957 18.5232 18.5233 19.2185 19.2198 19.5029 19.5054 k = 0.3111-0.0000-0.0000 ( 1512 PWs) bands (ev): -8.4695 -8.4695 -5.6466 -5.6465 -0.8571 -0.8564 -0.7254 -0.7247 1.8074 1.8083 2.3431 2.3456 4.4502 4.4537 4.8607 4.8619 5.2013 5.2039 5.3931 5.3952 6.4259 6.4268 7.9098 7.9117 8.0963 8.0992 10.8448 10.8501 10.9772 10.9832 11.4346 11.4346 16.6560 16.6562 18.4796 18.4798 19.3765 19.3779 19.6456 19.6482 k = 0.3222-0.0000-0.0000 ( 1508 PWs) bands (ev): -8.4117 -8.4116 -5.7451 -5.7449 -0.8361 -0.8353 -0.7137 -0.7129 1.8508 1.8518 2.3747 2.3773 4.4134 4.4171 4.8263 4.8277 5.1376 5.1402 5.3217 5.3240 6.5477 6.5484 7.9627 7.9650 8.1334 8.1366 10.7459 10.7511 10.8759 10.8819 11.3231 11.3231 16.7158 16.7160 18.4345 18.4346 19.5356 19.5370 19.7919 19.7944 k = 0.3333-0.0000-0.0000 ( 1512 PWs) bands (ev): -8.3520 -8.3519 -5.8436 -5.8434 -0.8154 -0.8145 -0.7020 -0.7012 1.8948 1.8960 2.4054 2.4082 4.3778 4.3817 4.7890 4.7905 5.0755 5.0782 5.2506 5.2530 6.6746 6.6752 8.0153 8.0178 8.1750 8.1785 10.6474 10.6526 10.7756 10.7816 11.2100 11.2100 16.7750 16.7752 18.3879 18.3881 19.6948 19.6963 19.9409 19.9435 k = 0.3444-0.0000-0.0000 ( 1504 PWs) bands (ev): -8.2904 -8.2904 -5.9420 -5.9418 -0.7951 -0.7942 -0.6904 -0.6896 1.9394 1.9407 2.4350 2.4380 4.3440 4.3480 4.7504 4.7520 5.0155 5.0182 5.1801 5.1827 6.8051 6.8056 8.0670 8.0697 8.2216 8.2253 10.5495 10.5545 10.6767 10.6825 11.0958 11.0958 16.8336 16.8338 18.3404 18.3406 19.8534 19.8549 20.0922 20.0948 k = 0.3556-0.0000-0.0000 ( 1500 PWs) bands (ev): -8.2270 -8.2270 -6.0401 -6.0400 -0.7753 -0.7744 -0.6791 -0.6782 1.9844 1.9858 2.4631 2.4662 4.3122 4.3164 4.7113 4.7130 4.9577 4.9604 5.1104 5.1132 6.9380 6.9383 8.1174 8.1202 8.2732 8.2769 10.4520 10.4569 10.5795 10.5851 10.9806 10.9807 16.8917 16.8918 18.2921 18.2922 20.0107 20.0122 20.2449 20.2475 k = 0.3667-0.0000-0.0000 ( 1500 PWs) bands (ev): -8.1618 -8.1618 -6.1379 -6.1377 -0.7562 -0.7553 -0.6682 -0.6673 2.0297 2.0311 2.4893 2.4925 4.2831 4.2874 4.6727 4.6745 4.9024 4.9052 5.0419 5.0449 7.0722 7.0725 8.1662 8.1689 8.3296 8.3333 10.3551 10.3597 10.4844 10.4898 10.8650 10.8650 16.9492 16.9494 18.2429 18.2431 20.1658 20.1673 20.3981 20.4007 k = 0.3778-0.0000-0.0000 ( 1500 PWs) bands (ev): -8.0948 -8.0948 -6.2351 -6.2350 -0.7378 -0.7369 -0.6578 -0.6569 2.0750 2.0766 2.5130 2.5164 4.2571 4.2615 4.6349 4.6368 4.8500 4.8528 4.9751 4.9782 7.2067 7.2069 8.2135 8.2160 8.3905 8.3940 10.2588 10.2631 10.3920 10.3970 10.7493 10.7494 17.0063 17.0065 18.1931 18.1933 20.3180 20.3196 20.5507 20.5534 k = 0.3889-0.0000-0.0000 ( 1504 PWs) bands (ev): -8.0261 -8.0260 -6.3318 -6.3317 -0.7203 -0.7194 -0.6481 -0.6472 2.1202 2.1220 2.5338 2.5374 4.2346 4.2392 4.5985 4.6004 4.8007 4.8036 4.9102 4.9135 7.3407 7.3409 8.2591 8.2613 8.4553 8.4586 10.1630 10.1668 10.3028 10.3074 10.6342 10.6343 17.0630 17.0632 18.1427 18.1428 20.4663 20.4680 20.7012 20.7040 k = 0.4000-0.0000-0.0000 ( 1504 PWs) bands (ev): -7.9555 -7.9555 -6.4279 -6.4277 -0.7038 -0.7028 -0.6392 -0.6383 2.1652 2.1671 2.5513 2.5550 4.2163 4.2209 4.5636 4.5656 4.7548 4.7577 4.8480 4.8514 7.4736 7.4737 8.3028 8.3048 8.5235 8.5265 10.0677 10.0710 10.2174 10.2216 10.5203 10.5204 17.1194 17.1196 18.0917 18.0919 20.6100 20.6117 20.8479 20.8507 k = 0.4111-0.0000-0.0000 ( 1504 PWs) bands (ev): -7.8833 -7.8832 -6.5231 -6.5230 -0.6883 -0.6873 -0.6312 -0.6303 2.2095 2.2116 2.5650 2.5688 4.2025 4.2072 4.5302 4.5323 4.7126 4.7156 4.7889 4.7925 7.6043 7.6044 8.3441 8.3459 8.5946 8.5974 9.9728 9.9756 10.1366 10.1402 10.4086 10.4086 17.1754 17.1756 18.0403 18.0404 20.7479 20.7497 20.9882 20.9910 k = 0.4222-0.0000-0.0000 ( 1502 PWs) bands (ev): -7.8094 -7.8093 -6.6174 -6.6173 -0.6740 -0.6730 -0.6243 -0.6233 2.2531 2.2553 2.5745 2.5783 4.1936 4.1985 4.4982 4.5004 4.6744 4.6774 4.7339 4.7377 7.7320 7.7320 8.3823 8.3838 8.6683 8.6708 9.8786 9.8808 10.0612 10.0643 10.3001 10.3002 17.2312 17.2314 17.9884 17.9886 20.8789 20.8807 21.1186 21.1215 k = 0.4333-0.0000-0.0000 ( 1504 PWs) bands (ev): -7.7338 -7.7337 -6.7108 -6.7107 -0.6610 -0.6599 -0.6185 -0.6175 2.2955 2.2978 2.5793 2.5831 4.1901 4.1950 4.4670 4.4693 4.6404 4.6435 4.6840 4.6878 7.8553 7.8553 8.4160 8.4173 8.7444 8.7466 9.7849 9.7866 9.9921 9.9947 10.1965 10.1965 17.2868 17.2870 17.9361 17.9363 21.0017 21.0035 21.2354 21.2383 k = 0.4444-0.0000-0.0000 ( 1502 PWs) bands (ev): -7.6565 -7.6564 -6.8032 -6.8031 -0.6492 -0.6482 -0.6140 -0.6130 2.3365 2.3390 2.5792 2.5831 4.1921 4.1969 4.4361 4.4386 4.6110 4.6141 4.6403 4.6442 7.9729 7.9730 8.4436 8.4447 8.8225 8.8245 9.6918 9.6930 9.9307 9.9328 10.0995 10.0996 17.3421 17.3423 17.8834 17.8836 21.1148 21.1167 21.3340 21.3369 k = 0.4556-0.0000-0.0000 ( 1502 PWs) bands (ev): -7.5777 -7.5776 -6.8944 -6.8943 -0.6389 -0.6379 -0.6108 -0.6098 2.3756 2.3783 2.5742 2.5780 4.1996 4.2043 4.4048 4.4076 4.5863 4.5894 4.6041 4.6080 8.0831 8.0832 8.4629 8.4637 8.9026 8.9044 9.5996 9.6003 9.8785 9.8801 10.0116 10.0116 17.3972 17.3974 17.8304 17.8306 21.2167 21.2187 21.4107 21.4135 k = 0.4667-0.0000-0.0000 ( 1510 PWs) bands (ev): -7.4973 -7.4972 -6.9845 -6.9844 -0.6301 -0.6290 -0.6090 -0.6080 2.4126 2.4155 2.5642 2.5679 4.2125 4.2172 4.3730 4.3760 4.5666 4.5698 4.5762 4.5799 8.1838 8.1838 8.4711 8.4718 8.9846 8.9861 9.5082 9.5085 9.8375 9.8387 9.9355 9.9355 17.4521 17.4523 17.7771 17.7772 21.3057 21.3077 21.4632 21.4659 k = 0.4778-0.0000-0.0000 ( 1510 PWs) bands (ev): -7.4154 -7.4153 -7.0734 -7.0733 -0.6227 -0.6217 -0.6087 -0.6077 2.4469 2.4500 2.5493 2.5530 4.2306 4.2351 4.3409 4.3443 4.5522 4.5554 4.5566 4.5602 8.2725 8.2726 8.4656 8.4661 9.0682 9.0695 9.4179 9.4180 9.8099 9.8108 9.8740 9.8741 17.5068 17.5070 17.7235 17.7237 21.3799 21.3820 21.4911 21.4937 k = 0.4889-0.0000-0.0000 ( 1506 PWs) bands (ev): -7.3320 -7.3319 -7.1609 -7.1609 -0.6169 -0.6158 -0.6099 -0.6088 2.4782 2.4814 2.5298 2.5333 4.2533 4.2576 4.3095 4.3132 4.5435 4.5451 4.5468 4.5486 8.3467 8.3468 8.4438 8.4442 9.1535 9.1545 9.3284 9.3288 9.7982 9.7988 9.8298 9.8300 17.5613 17.5615 17.6697 17.6699 21.4376 21.4398 21.4951 21.4975 k = 0.5000-0.0000-0.0000 ( 1514 PWs) bands (ev): -7.2472 -7.2472 -7.2471 -7.2471 -0.6126 -0.6126 -0.6116 -0.6116 2.5059 2.5059 2.5093 2.5093 4.2799 4.2799 4.2839 4.2839 4.5410 4.5410 4.5444 4.5444 8.4042 8.4042 8.4044 8.4044 9.2402 9.2402 9.2410 9.2410 9.8045 9.8045 9.8048 9.8048 17.6155 17.6155 17.6157 17.6157 21.4765 21.4765 21.4788 21.4788 k = 0.5000-0.0000-0.0000 ( 1514 PWs) bands (ev): -7.2472 -7.2472 -7.2471 -7.2471 -0.6126 -0.6126 -0.6116 -0.6116 2.5059 2.5059 2.5093 2.5093 4.2799 4.2799 4.2839 4.2839 4.5410 4.5410 4.5444 4.5444 8.4042 8.4042 8.4044 8.4044 9.2402 9.2402 9.2410 9.2410 9.8045 9.8045 9.8048 9.8048 17.6155 17.6155 17.6157 17.6157 21.4765 21.4765 21.4788 21.4788 k = 0.5000 0.0111-0.0000 ( 1510 PWs) bands (ev): -7.2464 -7.2464 -7.2463 -7.2463 -0.6152 -0.6152 -0.6141 -0.6141 2.5062 2.5062 2.5096 2.5096 4.2541 4.2541 4.2577 4.2577 4.5716 4.5716 4.5746 4.5746 8.3976 8.3976 8.3980 8.3980 9.2378 9.2378 9.2391 9.2391 9.8092 9.8092 9.8100 9.8100 17.6197 17.6197 17.6199 17.6199 21.4759 21.4759 21.4782 21.4782 k = 0.5000 0.0222-0.0000 ( 1510 PWs) bands (ev): -7.2442 -7.2442 -7.2441 -7.2441 -0.6227 -0.6227 -0.6217 -0.6217 2.5068 2.5068 2.5102 2.5102 4.1971 4.1971 4.2002 4.2002 4.6425 4.6425 4.6448 4.6448 8.3781 8.3781 8.3789 8.3789 9.2308 9.2308 9.2330 9.2330 9.8235 9.8235 9.8248 9.8248 17.6321 17.6321 17.6323 17.6323 21.4741 21.4741 21.4764 21.4764 k = 0.5000 0.0333-0.0000 ( 1506 PWs) bands (ev): -7.2404 -7.2404 -7.2403 -7.2403 -0.6354 -0.6354 -0.6343 -0.6343 2.5079 2.5079 2.5113 2.5113 4.1312 4.1312 4.1340 4.1340 4.7307 4.7307 4.7328 4.7328 8.3469 8.3469 8.3480 8.3480 9.2192 9.2192 9.2222 9.2222 9.8469 9.8469 9.8487 9.8487 17.6527 17.6527 17.6529 17.6529 21.4709 21.4709 21.4733 21.4733 k = 0.5000 0.0444-0.0000 ( 1506 PWs) bands (ev): -7.2352 -7.2352 -7.2351 -7.2351 -0.6530 -0.6530 -0.6519 -0.6519 2.5096 2.5096 2.5130 2.5130 4.0649 4.0649 4.0676 4.0676 4.8279 4.8279 4.8297 4.8297 8.3051 8.3051 8.3064 8.3064 9.2030 9.2030 9.2065 9.2065 9.8785 9.8785 9.8805 9.8805 17.6813 17.6813 17.6816 17.6816 21.4663 21.4663 21.4687 21.4687 k = 0.5000 0.0555-0.0000 ( 1506 PWs) bands (ev): -7.2285 -7.2285 -7.2284 -7.2284 -0.6755 -0.6755 -0.6744 -0.6744 2.5118 2.5118 2.5152 2.5152 4.0013 4.0013 4.0039 4.0039 4.9307 4.9307 4.9324 4.9324 8.2542 8.2542 8.2557 8.2557 9.1821 9.1821 9.1860 9.1860 9.9170 9.9170 9.9192 9.9192 17.7179 17.7179 17.7182 17.7182 21.4601 21.4601 21.4626 21.4626 k = 0.5000 0.0667-0.0000 ( 1506 PWs) bands (ev): -7.2203 -7.2203 -7.2202 -7.2202 -0.7028 -0.7028 -0.7018 -0.7018 2.5146 2.5146 2.5180 2.5180 3.9417 3.9417 3.9443 3.9443 5.0377 5.0377 5.0393 5.0393 8.1956 8.1956 8.1973 8.1973 9.1564 9.1564 9.1605 9.1605 9.9613 9.9613 9.9637 9.9637 17.7621 17.7621 17.7624 17.7624 21.4521 21.4521 21.4547 21.4547 k = 0.5000 0.0778-0.0000 ( 1506 PWs) bands (ev): -7.2107 -7.2107 -7.2106 -7.2106 -0.7348 -0.7348 -0.7338 -0.7338 2.5180 2.5180 2.5214 2.5214 3.8868 3.8868 3.8894 3.8894 5.1479 5.1479 5.1494 5.1494 8.1307 8.1307 8.1324 8.1324 9.1261 9.1261 9.1303 9.1303 10.0103 10.0103 10.0126 10.0126 17.8136 17.8136 17.8140 17.8140 21.4423 21.4423 21.4450 21.4450 k = 0.5000 0.0889-0.0000 ( 1502 PWs) bands (ev): -7.1997 -7.1997 -7.1996 -7.1996 -0.7714 -0.7714 -0.7704 -0.7704 2.5223 2.5223 2.5257 2.5257 3.8369 3.8369 3.8396 3.8396 5.2606 5.2606 5.2621 5.2621 8.0605 8.0605 8.0623 8.0623 9.0914 9.0914 9.0957 9.0957 10.0628 10.0628 10.0651 10.0651 17.8722 17.8722 17.8727 17.8727 21.4304 21.4304 21.4332 21.4332 k = 0.5000 0.1000-0.0000 ( 1498 PWs) bands (ev): -7.1872 -7.1872 -7.1872 -7.1872 -0.8123 -0.8123 -0.8114 -0.8114 2.5274 2.5274 2.5308 2.5308 3.7922 3.7922 3.7949 3.7949 5.3753 5.3753 5.3767 5.3767 7.9861 7.9861 7.9878 7.9878 9.0527 9.0527 9.0569 9.0569 10.1180 10.1180 10.1202 10.1202 17.9376 17.9376 17.9382 17.9382 21.4163 21.4163 21.4192 21.4192 k = 0.5000 0.1111-0.0000 ( 1494 PWs) bands (ev): -7.1734 -7.1734 -7.1733 -7.1733 -0.8574 -0.8574 -0.8565 -0.8565 2.5335 2.5335 2.5369 2.5369 3.7526 3.7526 3.7553 3.7553 5.4913 5.4913 5.4927 5.4927 7.9083 7.9083 7.9100 7.9100 9.0102 9.0102 9.0144 9.0144 10.1751 10.1751 10.1773 10.1773 18.0094 18.0094 18.0100 18.0100 21.3999 21.3999 21.4029 21.4029 k = 0.5000 0.1222-0.0000 ( 1494 PWs) bands (ev): -7.1583 -7.1583 -7.1582 -7.1582 -0.9065 -0.9065 -0.9057 -0.9057 2.5407 2.5407 2.5440 2.5440 3.7181 3.7181 3.7208 3.7208 5.6083 5.6083 5.6095 5.6095 7.8277 7.8277 7.8294 7.8294 8.9644 8.9644 8.9685 8.9685 10.2336 10.2336 10.2357 10.2357 18.0870 18.0870 18.0877 18.0877 21.3810 21.3810 21.3841 21.3841 k = 0.5000 0.1333-0.0000 ( 1494 PWs) bands (ev): -7.1418 -7.1418 -7.1417 -7.1417 -0.9594 -0.9594 -0.9585 -0.9585 2.5491 2.5491 2.5524 2.5524 3.6886 3.6886 3.6913 3.6913 5.7255 5.7255 5.7267 5.7267 7.7452 7.7452 7.7469 7.7469 8.9156 8.9156 8.9196 8.9196 10.2930 10.2930 10.2949 10.2949 18.1702 18.1702 18.1710 18.1710 21.3598 21.3598 21.3629 21.3629 k = 0.5000 0.1444-0.0000 ( 1510 PWs) bands (ev): -7.1240 -7.1240 -7.1239 -7.1239 -1.0157 -1.0157 -1.0148 -1.0148 2.5589 2.5589 2.5621 2.5621 3.6639 3.6639 3.6666 3.6666 5.8425 5.8425 5.8436 5.8436 7.6611 7.6611 7.6628 7.6628 8.8642 8.8642 8.8681 8.8681 10.3527 10.3527 10.3546 10.3546 18.2585 18.2585 18.2593 18.2593 21.3361 21.3361 21.3394 21.3394 k = 0.5000 0.1555-0.0000 ( 1510 PWs) bands (ev): -7.1050 -7.1050 -7.1050 -7.1050 -1.0751 -1.0751 -1.0743 -1.0743 2.5701 2.5701 2.5733 2.5733 3.6438 3.6438 3.6464 3.6464 5.9585 5.9585 5.9596 5.9596 7.5763 7.5763 7.5780 7.5780 8.8109 8.8109 8.8147 8.8147 10.4126 10.4126 10.4144 10.4144 18.3514 18.3514 18.3523 18.3523 21.3103 21.3103 21.3136 21.3136 k = 0.5000 0.1666-0.0000 ( 1512 PWs) bands (ev): -7.0849 -7.0849 -7.0848 -7.0848 -1.1375 -1.1375 -1.1367 -1.1367 2.5829 2.5829 2.5861 2.5861 3.6280 3.6280 3.6306 3.6306 6.0728 6.0728 6.0739 6.0739 7.4914 7.4914 7.4930 7.4930 8.7559 8.7559 8.7597 8.7597 10.4724 10.4724 10.4741 10.4741 18.4483 18.4483 18.4493 18.4493 21.2825 21.2825 21.2859 21.2859 k = 0.5000 0.1777-0.0000 ( 1514 PWs) bands (ev): -7.0636 -7.0636 -7.0635 -7.0635 -1.2024 -1.2024 -1.2016 -1.2016 2.5974 2.5974 2.6005 2.6005 3.6162 3.6162 3.6188 3.6188 6.1842 6.1842 6.1853 6.1853 7.4073 7.4073 7.4088 7.4088 8.7000 8.7000 8.7037 8.7037 10.5319 10.5319 10.5335 10.5335 18.5488 18.5488 18.5499 18.5499 21.2530 21.2530 21.2565 21.2565 k = 0.5000 0.1888-0.0000 ( 1514 PWs) bands (ev): -7.0412 -7.0412 -7.0411 -7.0411 -1.2695 -1.2695 -1.2687 -1.2687 2.6136 2.6136 2.6167 2.6167 3.6082 3.6082 3.6108 3.6108 6.2913 6.2913 6.2924 6.2924 7.3251 7.3251 7.3266 7.3266 8.6436 8.6436 8.6473 8.6473 10.5908 10.5908 10.5923 10.5923 18.6523 18.6523 18.6535 18.6535 21.2221 21.2221 21.2257 21.2257 k = 0.5000 0.2000-0.0000 ( 1514 PWs) bands (ev): -7.0178 -7.0178 -7.0177 -7.0177 -1.3385 -1.3385 -1.3378 -1.3378 2.6317 2.6317 2.6346 2.6346 3.6036 3.6036 3.6062 3.6062 6.3917 6.3917 6.3930 6.3930 7.2466 7.2466 7.2481 7.2481 8.5873 8.5873 8.5910 8.5910 10.6490 10.6490 10.6505 10.6505 18.7583 18.7583 18.7595 18.7595 21.1904 21.1904 21.1940 21.1940 k = 0.5000 0.2111-0.0000 ( 1522 PWs) bands (ev): -6.9934 -6.9934 -6.9933 -6.9933 -1.4091 -1.4091 -1.4084 -1.4084 2.6516 2.6516 2.6545 2.6545 3.6022 3.6022 3.6047 3.6047 6.4818 6.4818 6.4834 6.4834 7.1750 7.1750 7.1766 7.1766 8.5321 8.5321 8.5358 8.5358 10.7064 10.7064 10.7078 10.7078 18.8659 18.8659 18.8673 18.8673 21.1581 21.1581 21.1618 21.1618 k = 0.5000 0.2222-0.0000 ( 1522 PWs) bands (ev): -6.9682 -6.9682 -6.9681 -6.9681 -1.4808 -1.4808 -1.4802 -1.4802 2.6734 2.6734 2.6763 2.6763 3.6037 3.6037 3.6061 3.6061 6.5549 6.5549 6.5570 6.5570 7.1163 7.1163 7.1181 7.1181 8.4786 8.4786 8.4824 8.4824 10.7628 10.7628 10.7642 10.7642 18.9747 18.9747 18.9762 18.9762 21.1259 21.1259 21.1297 21.1297 k = 0.5000 0.2333-0.0000 ( 1522 PWs) bands (ev): -6.9422 -6.9422 -6.9421 -6.9421 -1.5535 -1.5535 -1.5528 -1.5528 2.6972 2.6972 2.6999 2.6999 3.6077 3.6077 3.6101 3.6101 6.6007 6.6007 6.6034 6.6034 7.0801 7.0801 7.0822 7.0822 8.4280 8.4280 8.4318 8.4318 10.8183 10.8183 10.8197 10.8197 19.0839 19.0839 19.0855 19.0855 21.0942 21.0942 21.0981 21.0981 k = 0.5000 0.2444-0.0000 ( 1522 PWs) bands (ev): -6.9154 -6.9154 -6.9153 -6.9153 -1.6267 -1.6267 -1.6260 -1.6260 2.7229 2.7229 2.7256 2.7256 3.6139 3.6139 3.6162 3.6162 6.6089 6.6089 6.6119 6.6119 7.0757 7.0757 7.0781 7.0781 8.3815 8.3815 8.3854 8.3854 10.8726 10.8726 10.8740 10.8740 19.1926 19.1926 19.1944 19.1944 21.0637 21.0637 21.0677 21.0677 k = 0.5000 0.2555-0.0000 ( 1522 PWs) bands (ev): -6.8881 -6.8881 -6.8880 -6.8880 -1.7001 -1.7001 -1.6995 -1.6995 2.7505 2.7505 2.7531 2.7531 3.6220 3.6220 3.6243 3.6243 6.5806 6.5806 6.5837 6.5837 7.1010 7.1010 7.1034 7.1034 8.3407 8.3407 8.3447 8.3447 10.9258 10.9258 10.9271 10.9271 19.3001 19.3001 19.3020 19.3020 21.0350 21.0350 21.0390 21.0390 k = 0.5000 0.2666-0.0000 ( 1518 PWs) bands (ev): -6.8603 -6.8603 -6.8602 -6.8602 -1.7734 -1.7734 -1.7728 -1.7728 2.7799 2.7799 2.7825 2.7825 3.6318 3.6318 3.6340 3.6340 6.5278 6.5278 6.5307 6.5307 7.1422 7.1422 7.1445 7.1445 8.3073 8.3073 8.3114 8.3114 10.9777 10.9777 10.9789 10.9789 19.4055 19.4055 19.4075 19.4075 21.0088 21.0088 21.0129 21.0129 k = 0.5000 0.2777-0.0000 ( 1522 PWs) bands (ev): -6.8321 -6.8321 -6.8320 -6.8320 -1.8462 -1.8462 -1.8456 -1.8456 2.8112 2.8112 2.8137 2.8137 3.6428 3.6428 3.6450 3.6450 6.4617 6.4617 6.4645 6.4645 7.1861 7.1861 7.1883 7.1883 8.2831 8.2831 8.2873 8.2873 11.0282 11.0282 11.0294 11.0294 19.5075 19.5075 19.5097 19.5097 20.9857 20.9857 20.9898 20.9898 k = 0.5000 0.2888-0.0000 ( 1522 PWs) bands (ev): -6.8036 -6.8036 -6.8035 -6.8035 -1.9182 -1.9182 -1.9177 -1.9177 2.8442 2.8442 2.8466 2.8466 3.6549 3.6549 3.6570 3.6570 6.3891 6.3891 6.3919 6.3919 7.2245 7.2245 7.2265 7.2265 8.2701 8.2701 8.2744 8.2744 11.0772 11.0772 11.0785 11.0785 19.6053 19.6053 19.6076 19.6076 20.9665 20.9665 20.9707 20.9707 k = 0.5000 0.2999-0.0000 ( 1526 PWs) bands (ev): -6.7750 -6.7750 -6.7749 -6.7749 -1.9892 -1.9892 -1.9886 -1.9886 2.8789 2.8789 2.8812 2.8812 3.6676 3.6676 3.6697 3.6697 6.3137 6.3137 6.3163 6.3163 7.2525 7.2525 7.2544 7.2544 8.2696 8.2696 8.2739 8.2739 11.1247 11.1247 11.1260 11.1260 19.6976 19.6976 19.7000 19.7000 20.9519 20.9519 20.9562 20.9562 k = 0.5000 0.3110-0.0000 ( 1534 PWs) bands (ev): -6.7464 -6.7464 -6.7463 -6.7463 -2.0587 -2.0587 -2.0582 -2.0582 2.9151 2.9151 2.9174 2.9174 3.6807 3.6807 3.6827 3.6827 6.2374 6.2374 6.2400 6.2400 7.2680 7.2680 7.2699 7.2699 8.2818 8.2818 8.2861 8.2861 11.1706 11.1706 11.1718 11.1718 19.7833 19.7833 19.7859 19.7859 20.9425 20.9425 20.9469 20.9469 k = 0.5000 0.3221-0.0000 ( 1534 PWs) bands (ev): -6.7180 -6.7180 -6.7179 -6.7179 -2.1266 -2.1266 -2.1260 -2.1260 2.9529 2.9529 2.9551 2.9551 3.6938 3.6938 3.6958 3.6958 6.1615 6.1615 6.1640 6.1640 7.2711 7.2711 7.2730 7.2730 8.3059 8.3059 8.3101 8.3101 11.2148 11.2148 11.2160 11.2160 19.8614 19.8614 19.8640 19.8640 20.9391 20.9391 20.9434 20.9434 k = 0.5000 0.3333-0.0000 ( 1526 PWs) bands (ev): -6.6899 -6.6899 -6.6898 -6.6898 -2.1923 -2.1923 -2.1918 -2.1918 2.9920 2.9920 2.9941 2.9941 3.7067 3.7067 3.7085 3.7085 6.0868 6.0868 6.0894 6.0894 7.2632 7.2632 7.2649 7.2649 8.3400 8.3400 8.3440 8.3440 11.2572 11.2572 11.2584 11.2584 19.9308 19.9308 19.9335 19.9335 20.9418 20.9418 20.9462 20.9462 k = 0.5000 0.3444-0.0000 ( 1526 PWs) bands (ev): -6.6623 -6.6623 -6.6622 -6.6622 -2.2557 -2.2557 -2.2552 -2.2552 3.0322 3.0322 3.0343 3.0343 3.7188 3.7188 3.7206 3.7206 6.0140 6.0140 6.0166 6.0166 7.2462 7.2462 7.2478 7.2478 8.3815 8.3815 8.3853 8.3853 11.2976 11.2976 11.2988 11.2988 19.9912 19.9912 19.9939 19.9939 20.9507 20.9507 20.9550 20.9550 k = 0.5000 0.3555-0.0000 ( 1526 PWs) bands (ev): -6.6354 -6.6354 -6.6353 -6.6353 -2.3165 -2.3165 -2.3160 -2.3160 3.0735 3.0735 3.0756 3.0756 3.7299 3.7299 3.7316 3.7316 5.9437 5.9437 5.9463 5.9463 7.2225 7.2225 7.2241 7.2241 8.4278 8.4278 8.4315 8.4315 11.3360 11.3360 11.3372 11.3372 20.0423 20.0423 20.0450 20.0450 20.9650 20.9650 20.9694 20.9694 k = 0.5000 0.3666-0.0000 ( 1528 PWs) bands (ev): -6.6094 -6.6094 -6.6093 -6.6093 -2.3743 -2.3743 -2.3738 -2.3738 3.1156 3.1156 3.1176 3.1176 3.7396 3.7396 3.7413 3.7413 5.8763 5.8763 5.8790 5.8790 7.1944 7.1944 7.1959 7.1959 8.4766 8.4766 8.4802 8.4802 11.3722 11.3722 11.3734 11.3734 20.0846 20.0846 20.0872 20.0872 20.9839 20.9839 20.9881 20.9881 k = 0.5000 0.3777-0.0000 ( 1524 PWs) bands (ev): -6.5844 -6.5844 -6.5843 -6.5843 -2.4289 -2.4289 -2.4284 -2.4284 3.1584 3.1584 3.1604 3.1604 3.7475 3.7475 3.7491 3.7491 5.8123 5.8123 5.8150 5.8150 7.1637 7.1637 7.1652 7.1652 8.5261 8.5261 8.5296 8.5296 11.4062 11.4062 11.4074 11.4074 20.1190 20.1190 20.1215 20.1215 21.0057 21.0057 21.0098 21.0098 k = 0.5000 0.3888-0.0000 ( 1520 PWs) bands (ev): -6.5607 -6.5607 -6.5606 -6.5606 -2.4799 -2.4799 -2.4794 -2.4794 3.2016 3.2016 3.2035 3.2035 3.7533 3.7533 3.7549 3.7549 5.7521 5.7521 5.7549 5.7549 7.1318 7.1318 7.1333 7.1333 8.5748 8.5748 8.5781 8.5781 11.4378 11.4378 11.4390 11.4390 20.1466 20.1466 20.1490 20.1490 21.0287 21.0287 21.0327 21.0327 k = 0.5000 0.3999-0.0000 ( 1524 PWs) bands (ev): -6.5385 -6.5385 -6.5384 -6.5384 -2.5271 -2.5271 -2.5266 -2.5266 3.2450 3.2450 3.2468 3.2468 3.7566 3.7566 3.7582 3.7582 5.6961 5.6961 5.6990 5.6990 7.1001 7.1001 7.1015 7.1015 8.6213 8.6213 8.6245 8.6245 11.4668 11.4668 11.4680 11.4680 20.1687 20.1687 20.1709 20.1709 21.0512 21.0512 21.0550 21.0550 k = 0.5000 0.4110-0.0000 ( 1524 PWs) bands (ev): -6.5179 -6.5179 -6.5178 -6.5178 -2.5702 -2.5702 -2.5697 -2.5697 3.2882 3.2882 3.2900 3.2900 3.7571 3.7571 3.7586 3.7586 5.6448 5.6448 5.6478 5.6478 7.0695 7.0695 7.0709 7.0709 8.6648 8.6648 8.6679 8.6679 11.4932 11.4932 11.4944 11.4944 20.1864 20.1864 20.1884 20.1884 21.0716 21.0716 21.0752 21.0752 k = 0.5000 0.4221-0.0000 ( 1520 PWs) bands (ev): -6.4992 -6.4992 -6.4991 -6.4991 -2.6089 -2.6089 -2.6084 -2.6084 3.3309 3.3309 3.3326 3.3326 3.7546 3.7546 3.7562 3.7562 5.5986 5.5986 5.6017 5.6017 7.0408 7.0408 7.0422 7.0422 8.7045 8.7045 8.7076 8.7076 11.5168 11.5168 11.5180 11.5180 20.2006 20.2006 20.2024 20.2024 21.0889 21.0889 21.0923 21.0923 k = 0.5000 0.4332-0.0000 ( 1516 PWs) bands (ev): -6.4825 -6.4825 -6.4824 -6.4824 -2.6430 -2.6430 -2.6425 -2.6425 3.3726 3.3726 3.3743 3.3743 3.7490 3.7490 3.7505 3.7505 5.5578 5.5578 5.5610 5.5610 7.0147 7.0147 7.0161 7.0161 8.7399 8.7399 8.7429 8.7429 11.5375 11.5375 11.5388 11.5388 20.2122 20.2122 20.2138 20.2138 21.1024 21.1024 21.1055 21.1055 k = 0.5000 0.4443-0.0000 ( 1520 PWs) bands (ev): -6.4681 -6.4681 -6.4680 -6.4680 -2.6723 -2.6723 -2.6718 -2.6718 3.4129 3.4129 3.4145 3.4145 3.7403 3.7403 3.7418 3.7418 5.5227 5.5227 5.5259 5.5259 6.9917 6.9917 6.9931 6.9931 8.7705 8.7705 8.7734 8.7734 11.5553 11.5553 11.5565 11.5565 20.2215 20.2215 20.2230 20.2230 21.1120 21.1120 21.1149 21.1149 k = 0.5000 0.4555-0.0000 ( 1520 PWs) bands (ev): -6.4561 -6.4561 -6.4560 -6.4560 -2.6965 -2.6965 -2.6961 -2.6961 3.4510 3.4510 3.4525 3.4525 3.7286 3.7286 3.7302 3.7302 5.4936 5.4936 5.4969 5.4969 6.9723 6.9723 6.9737 6.9737 8.7960 8.7960 8.7988 8.7988 11.5700 11.5700 11.5712 11.5712 20.2290 20.2290 20.2303 20.2303 21.1183 21.1183 21.1209 21.1209 k = 0.5000 0.4666-0.0000 ( 1520 PWs) bands (ev): -6.4465 -6.4465 -6.4464 -6.4464 -2.7156 -2.7156 -2.7151 -2.7151 3.4858 3.4858 3.4872 3.4872 3.7148 3.7148 3.7163 3.7163 5.4707 5.4707 5.4741 5.4741 6.9568 6.9568 6.9583 6.9583 8.8160 8.8160 8.8188 8.8188 11.5815 11.5815 11.5827 11.5827 20.2348 20.2348 20.2360 20.2360 21.1219 21.1219 21.1243 21.1243 k = 0.5000 0.4777-0.0000 ( 1512 PWs) bands (ev): -6.4397 -6.4397 -6.4395 -6.4395 -2.7293 -2.7293 -2.7288 -2.7288 3.5157 3.5157 3.5169 3.5169 3.7003 3.7003 3.7018 3.7018 5.4543 5.4543 5.4577 5.4577 6.9456 6.9456 6.9471 6.9471 8.8306 8.8306 8.8334 8.8334 11.5898 11.5898 11.5910 11.5910 20.2391 20.2391 20.2401 20.2401 21.1237 21.1237 21.1258 21.1258 k = 0.5000 0.4888-0.0000 ( 1512 PWs) bands (ev): -6.4355 -6.4355 -6.4354 -6.4354 -2.7375 -2.7375 -2.7371 -2.7371 3.5372 3.5372 3.5382 3.5382 3.6881 3.6881 3.6896 3.6896 5.4444 5.4444 5.4478 5.4478 6.9388 6.9388 6.9403 6.9403 8.8393 8.8393 8.8421 8.8421 11.5947 11.5947 11.5960 11.5960 20.2416 20.2416 20.2425 20.2425 21.1244 21.1244 21.1264 21.1264 k = 0.5000 0.4999-0.0000 ( 1508 PWs) bands (ev): -6.4341 -6.4341 -6.4340 -6.4340 -2.7403 -2.7403 -2.7398 -2.7398 3.5454 3.5454 3.5463 3.5463 3.6831 3.6831 3.6845 3.6845 5.4411 5.4411 5.4445 5.4445 6.9365 6.9365 6.9380 6.9380 8.8423 8.8423 8.8450 8.8450 11.5964 11.5964 11.5976 11.5976 20.2425 20.2425 20.2434 20.2434 21.1246 21.1246 21.1265 21.1265 k = 0.5000 0.4999-0.0000 ( 1508 PWs) bands (ev): -6.4341 -6.4341 -6.4340 -6.4340 -2.7403 -2.7403 -2.7398 -2.7398 3.5454 3.5454 3.5463 3.5463 3.6831 3.6831 3.6845 3.6845 5.4411 5.4411 5.4445 5.4445 6.9365 6.9365 6.9380 6.9380 8.8423 8.8423 8.8450 8.8450 11.5964 11.5964 11.5976 11.5976 20.2425 20.2425 20.2434 20.2434 21.1246 21.1246 21.1265 21.1265 k = 0.4889 0.4999-0.0000 ( 1512 PWs) bands (ev): -6.4874 -6.4873 -6.3821 -6.3820 -2.7796 -2.7791 -2.6971 -2.6967 3.4875 3.4878 3.5355 3.5362 3.7058 3.7070 3.7311 3.7320 5.4029 5.4063 5.4756 5.4790 6.9138 6.9152 6.9665 6.9681 8.8255 8.8284 8.8525 8.8552 11.5890 11.5902 11.6005 11.6018 20.2423 20.2429 20.2430 20.2443 21.0845 21.0857 21.1599 21.1625 k = 0.4778 0.4999-0.0000 ( 1516 PWs) bands (ev): -6.5417 -6.5416 -6.3316 -6.3315 -2.8147 -2.8143 -2.6504 -2.6499 3.4100 3.4101 3.4807 3.4811 3.7755 3.7764 3.8006 3.8013 5.3617 5.3651 5.5058 5.5092 6.8990 6.9004 7.0032 7.0049 8.8025 8.8053 8.8564 8.8590 11.5783 11.5796 11.6014 11.6026 20.2425 20.2427 20.2443 20.2460 21.0362 21.0367 21.1937 21.1969 k = 0.4667 0.4999-0.0000 ( 1520 PWs) bands (ev): -6.5968 -6.5967 -6.2830 -6.2829 -2.8454 -2.8449 -2.6005 -2.6000 3.3281 3.3281 3.4187 3.4190 3.8543 3.8549 3.8765 3.8772 5.3181 5.3215 5.5315 5.5348 6.8929 6.8943 7.0456 7.0474 8.7729 8.7758 8.8537 8.8563 11.5645 11.5658 11.5988 11.6000 20.2426 20.2427 20.2466 20.2487 20.9763 20.9766 21.2284 21.2319 k = 0.4556 0.4999-0.0000 ( 1520 PWs) bands (ev): -6.6525 -6.6524 -6.2364 -6.2363 -2.8712 -2.8708 -2.5475 -2.5470 3.2448 3.2449 3.3567 3.3569 3.9346 3.9352 3.9561 3.9567 5.2728 5.2761 5.5524 5.5556 6.8959 6.8973 7.0932 7.0951 8.7373 8.7402 8.8446 8.8472 11.5476 11.5490 11.5930 11.5942 20.2427 20.2431 20.2499 20.2525 20.9030 20.9041 21.2654 21.2693 k = 0.4444 0.4999-0.0000 ( 1520 PWs) bands (ev): -6.7086 -6.7085 -6.1922 -6.1921 -2.8920 -2.8916 -2.4919 -2.4914 3.1612 3.1613 3.2964 3.2966 4.0146 4.0151 4.0384 4.0390 5.2262 5.2295 5.5687 5.5718 6.9079 6.9094 7.1451 7.1472 8.6955 8.6985 8.8293 8.8318 11.5279 11.5292 11.5839 11.5850 20.2430 20.2436 20.2543 20.2574 20.8173 20.8192 21.3055 21.3096 k = 0.4333 0.4999-0.0000 ( 1516 PWs) bands (ev): -6.7648 -6.7647 -6.1506 -6.1505 -2.9074 -2.9070 -2.4340 -2.4334 3.0775 3.0776 3.2386 3.2387 4.0934 4.0938 4.1230 4.1236 5.1790 5.1822 5.5810 5.5840 6.9290 6.9305 7.2009 7.2031 8.6478 8.6508 8.8077 8.8102 11.5053 11.5067 11.5715 11.5726 20.2434 20.2443 20.2591 20.2628 20.7214 20.7240 21.3489 21.3532 k = 0.4222 0.4999-0.0000 ( 1520 PWs) bands (ev): -6.8210 -6.8209 -6.1119 -6.1118 -2.9172 -2.9168 -2.3739 -2.3734 2.9939 2.9941 3.1834 3.1836 4.1701 4.1704 4.2096 4.2103 5.1315 5.1347 5.5901 5.5929 6.9586 6.9601 7.2600 7.2623 8.5942 8.5972 8.7798 8.7823 11.4800 11.4814 11.5559 11.5570 20.2439 20.2450 20.2621 20.2666 20.6196 20.6230 21.3950 21.3995 k = 0.4111 0.4999-0.0000 ( 1524 PWs) bands (ev): -6.8770 -6.8769 -6.0762 -6.0761 -2.9212 -2.9208 -2.3120 -2.3115 2.9106 2.9108 3.1312 3.1314 4.2439 4.2441 4.2982 4.2989 5.0842 5.0874 5.5971 5.5997 6.9960 6.9976 7.3219 7.3243 8.5349 8.5380 8.7460 8.7484 11.4521 11.4536 11.5372 11.5384 20.2445 20.2460 20.2570 20.2625 20.5207 20.5250 21.4425 21.4473 k = 0.4000 0.4999-0.0000 ( 1524 PWs) bands (ev): -6.9327 -6.9326 -6.0438 -6.0437 -2.9191 -2.9187 -2.2486 -2.2480 2.8277 2.8278 3.0822 3.0824 4.3141 4.3142 4.3886 4.3893 5.0374 5.0405 5.6036 5.6059 7.0405 7.0422 7.3862 7.3888 8.4703 8.4734 8.7063 8.7087 11.4219 11.4234 11.5156 11.5167 20.2257 20.2306 20.2458 20.2470 20.4457 20.4499 21.4888 21.4937 k = 0.3889 0.4999-0.0000 ( 1520 PWs) bands (ev): -6.9878 -6.9878 -6.0148 -6.0147 -2.9109 -2.9105 -2.1838 -2.1833 2.7452 2.7453 3.0365 3.0367 4.3796 4.3797 4.4806 4.4814 4.9914 4.9945 5.6112 5.6132 7.0912 7.0931 7.4525 7.4553 8.4004 8.4036 8.6609 8.6633 11.3894 11.3909 11.4911 11.4922 20.1475 20.1508 20.2463 20.2480 20.4178 20.4200 21.5285 21.5333 k = 0.3778 0.4999-0.0000 ( 1524 PWs) bands (ev): -7.0424 -7.0423 -5.9893 -5.9891 -2.8964 -2.8960 -2.1181 -2.1175 2.6631 2.6632 2.9943 2.9945 4.4393 4.4396 4.5742 4.5750 4.9465 4.9495 5.6214 5.6231 7.1471 7.1491 7.5204 7.5233 8.3255 8.3288 8.6100 8.6124 11.3547 11.3563 11.4638 11.4650 20.0351 20.0367 20.2466 20.2485 20.4236 20.4240 21.5504 21.5549 k = 0.3667 0.4999-0.0000 ( 1526 PWs) bands (ev): -7.0963 -7.0962 -5.9673 -5.9671 -2.8756 -2.8752 -2.0516 -2.0510 2.5815 2.5815 2.9557 2.9560 4.4924 4.4929 4.6692 4.6701 4.9029 4.9059 5.6360 5.6373 7.2074 7.2095 7.5896 7.5927 8.2461 8.2494 8.5541 8.5564 11.3181 11.3198 11.4341 11.4352 19.9074 19.9080 20.2457 20.2479 20.4439 20.4446 21.5406 21.5442 k = 0.3556 0.4999-0.0000 ( 1526 PWs) bands (ev): -7.1493 -7.1492 -5.9488 -5.9487 -2.8486 -2.8481 -1.9846 -1.9839 2.5003 2.5003 2.9209 2.9212 4.5379 4.5386 4.7651 4.7660 4.8614 4.8644 5.6564 5.6573 7.2710 7.2733 7.6598 7.6630 8.1623 8.1657 8.4933 8.4956 11.2797 11.2814 11.4019 11.4030 19.7726 19.7727 20.2429 20.2454 20.4725 20.4739 21.4965 21.4991 k = 0.3444 0.4999-0.0000 ( 1526 PWs) bands (ev): -7.2014 -7.2013 -5.9338 -5.9337 -2.8154 -2.8149 -1.9173 -1.9167 2.4195 2.4195 2.8900 2.8904 4.5751 4.5761 4.8172 4.8200 4.8668 4.8675 5.6837 5.6843 7.3372 7.3395 7.7303 7.7338 8.0747 8.0782 8.4284 8.4307 11.2396 11.2414 11.3675 11.3686 19.6336 19.6340 20.2369 20.2397 20.5072 20.5091 21.4302 21.4323 k = 0.3333 0.4999-0.0000 ( 1526 PWs) bands (ev): -7.2525 -7.2524 -5.9221 -5.9220 -2.7761 -2.7757 -1.8502 -1.8495 2.3391 2.3391 2.8633 2.8637 4.6037 4.6049 4.7802 4.7832 4.9639 4.9648 5.7188 5.7189 7.4046 7.4071 7.7999 7.8039 7.9846 7.9883 8.3600 8.3622 11.1979 11.1999 11.3310 11.3321 19.4926 19.4932 20.2260 20.2291 20.5468 20.5491 21.3543 21.3562 k = 0.3222 0.4999-0.0000 ( 1534 PWs) bands (ev): -7.3024 -7.3023 -5.9137 -5.9135 -2.7310 -2.7306 -1.7833 -1.7827 2.2591 2.2591 2.8409 2.8412 4.6238 4.6253 4.7437 4.7466 5.0638 5.0648 5.7614 5.7615 7.4720 7.4746 7.8529 7.8560 7.9090 7.9117 8.2892 8.2914 11.1549 11.1569 11.2927 11.2938 19.3505 19.3512 20.2080 20.2114 20.5906 20.5932 21.2772 21.2792 k = 0.3111 0.4999-0.0000 ( 1534 PWs) bands (ev): -7.3512 -7.3511 -5.9082 -5.9081 -2.6804 -2.6799 -1.7170 -1.7163 2.1794 2.1795 2.8228 2.8232 4.6360 4.6377 4.7092 4.7121 5.1649 5.1660 5.8113 5.8118 7.5372 7.5399 7.7822 7.7844 7.9534 7.9561 8.2179 8.2201 11.1107 11.1128 11.2526 11.2538 19.2080 19.2089 20.1806 20.1843 20.6385 20.6413 21.2051 21.2072 k = 0.3000 0.4999-0.0000 ( 1526 PWs) bands (ev): -7.3987 -7.3986 -5.9055 -5.9054 -2.6243 -2.6239 -1.6515 -1.6509 2.1001 2.1002 2.8094 2.8098 4.6413 4.6432 4.6768 4.6797 5.2670 5.2681 5.8679 5.8687 7.5967 7.5994 7.6827 7.6854 8.0224 8.0258 8.1498 8.1518 11.0654 11.0676 11.2111 11.2122 19.0658 19.0667 20.1413 20.1452 20.6900 20.6931 21.1425 21.1448 k = 0.2889 0.4999-0.0000 ( 1522 PWs) bands (ev): -7.4449 -7.4448 -5.9053 -5.9052 -2.5632 -2.5628 -1.5871 -1.5865 2.0211 2.0212 2.8007 2.8011 4.6404 4.6425 4.6470 4.6498 5.3699 5.3711 5.9302 5.9313 7.5792 7.5822 7.6433 7.6458 8.0905 8.0917 8.0956 8.0965 11.0193 11.0216 11.1682 11.1694 18.9243 18.9253 20.0882 20.0924 20.7449 20.7482 21.0926 21.0950 k = 0.2778 0.4999-0.0000 ( 1522 PWs) bands (ev): -7.4897 -7.4897 -5.9074 -5.9073 -2.4975 -2.4970 -1.5241 -1.5234 1.9423 1.9424 2.7968 2.7972 4.6191 4.6220 4.6350 4.6372 5.4735 5.4747 5.9971 5.9984 7.4733 7.4763 7.6645 7.6664 8.0570 8.0579 8.1621 8.1660 10.9724 10.9748 11.1242 11.1254 18.7839 18.7850 20.0210 20.0252 20.8030 20.8064 21.0569 21.0592 k = 0.2667 0.4999-0.0000 ( 1518 PWs) bands (ev): -7.5331 -7.5331 -5.9115 -5.9114 -2.4273 -2.4268 -1.4626 -1.4620 1.8636 1.8638 2.7980 2.7984 4.5942 4.5971 4.6255 4.6278 5.5776 5.5789 6.0672 6.0688 7.3654 7.3685 7.6478 7.6488 8.0575 8.0578 8.2304 8.2346 10.9250 10.9275 11.0793 11.0805 18.6451 18.6462 19.9406 19.9447 20.8640 20.8676 21.0352 21.0374 k = 0.2556 0.4999-0.0000 ( 1522 PWs) bands (ev): -7.5751 -7.5750 -5.9173 -5.9172 -2.3530 -2.3525 -1.4030 -1.4023 1.7851 1.7853 2.8042 2.8046 4.5719 4.5748 4.6131 4.6155 5.6822 5.6835 6.1392 6.1411 7.2559 7.2591 7.5959 7.5961 8.0900 8.0912 8.2972 8.3017 10.8772 10.8799 11.0336 11.0348 18.5082 18.5093 19.8489 19.8529 20.9276 20.9314 21.0258 21.0279 k = 0.2444 0.4999-0.0000 ( 1522 PWs) bands (ev): -7.6155 -7.6154 -5.9246 -5.9245 -2.2750 -2.2745 -1.3454 -1.3448 1.7066 1.7068 2.8157 2.8161 4.5524 4.5553 4.5986 4.6011 5.7870 5.7884 6.2118 6.2139 7.1454 7.1486 7.5223 7.5225 8.1422 8.1441 8.3621 8.3668 10.8295 10.8323 10.9874 10.9887 18.3736 18.3747 19.7486 19.7523 20.9937 20.9976 21.0269 21.0287 k = 0.2333 0.4999-0.0000 ( 1522 PWs) bands (ev): -7.6543 -7.6543 -5.9332 -5.9331 -2.1936 -2.1931 -1.2901 -1.2894 1.6280 1.6283 2.8324 2.8327 4.5358 4.5386 4.5828 4.5853 5.8920 5.8934 6.2832 6.2855 7.0340 7.0373 7.4383 7.4388 8.2039 8.2062 8.4245 8.4294 10.7819 10.7849 10.9409 10.9422 18.2416 18.2427 19.6420 19.6456 21.0357 21.0375 21.0622 21.0660 k = 0.2222 0.4999-0.0000 ( 1522 PWs) bands (ev): -7.6916 -7.6915 -5.9427 -5.9426 -2.1092 -2.1087 -1.2371 -1.2365 1.5494 1.5497 2.8543 2.8546 4.5221 4.5250 4.5661 4.5687 5.9968 5.9983 6.3509 6.3535 6.9224 6.9256 7.3512 7.3517 8.2697 8.2723 8.4840 8.4892 10.7348 10.7380 10.8943 10.8956 18.1126 18.1137 19.5316 19.5349 21.0507 21.0523 21.1323 21.1364 k = 0.2111 0.4999-0.0000 ( 1522 PWs) bands (ev): -7.7272 -7.7271 -5.9530 -5.9529 -2.0219 -2.0214 -1.1868 -1.1861 1.4706 1.4709 2.8815 2.8818 4.5116 4.5144 4.5492 4.5519 6.1012 6.1027 6.4115 6.4143 6.8108 6.8142 7.2666 7.2671 8.3367 8.3395 8.5402 8.5456 10.6886 10.6919 10.8479 10.8493 17.9869 17.9880 19.4190 19.4221 21.0699 21.0713 21.2042 21.2083 k = 0.2000 0.4999-0.0000 ( 1514 PWs) bands (ev): -7.7611 -7.7611 -5.9638 -5.9637 -1.9321 -1.9316 -1.1390 -1.1384 1.3916 1.3919 2.9139 2.9141 4.5042 4.5070 4.5324 4.5352 6.2047 6.2061 6.4592 6.4624 6.7002 6.7037 7.1914 7.1918 8.4032 8.4063 8.5926 8.5982 10.6436 10.6471 10.8019 10.8034 17.8648 17.8660 19.3059 19.3088 21.0919 21.0932 21.2775 21.2817 k = 0.1889 0.4999-0.0000 ( 1514 PWs) bands (ev): -7.7934 -7.7933 -5.9750 -5.9749 -1.8402 -1.8396 -1.0942 -1.0936 1.3122 1.3126 2.9513 2.9515 4.5000 4.5029 4.5162 4.5191 6.3052 6.3064 6.4856 6.4891 6.5924 6.5962 7.1345 7.1347 8.4681 8.4714 8.6406 8.6464 10.6002 10.6038 10.7567 10.7582 17.7467 17.7478 19.1934 19.1962 21.1155 21.1166 21.3518 21.3562 k = 0.1778 0.4999-0.0000 ( 1514 PWs) bands (ev): -7.8239 -7.8239 -5.9863 -5.9863 -1.7463 -1.7458 -1.0522 -1.0516 1.2324 1.2328 2.9936 2.9937 4.4987 4.5015 4.5016 4.5044 6.3877 6.3884 6.4811 6.4848 6.5028 6.5072 7.1056 7.1058 8.5306 8.5340 8.6835 8.6895 10.5589 10.5626 10.7125 10.7141 17.6329 17.6340 19.0828 19.0853 21.1397 21.1406 21.4270 21.4315 k = 0.1667 0.4999-0.0000 ( 1512 PWs) bands (ev): -7.8527 -7.8527 -5.9977 -5.9977 -1.6508 -1.6502 -1.0131 -1.0125 1.1522 1.1526 3.0405 3.0405 4.4868 4.4898 4.5020 4.5049 6.3473 6.3493 6.4418 6.4454 6.5363 6.5393 7.1089 7.1092 8.5899 8.5934 8.7210 8.7272 10.5201 10.5239 10.6697 10.6714 17.5238 17.5248 18.9748 18.9771 21.1635 21.1643 21.5027 21.5072 k = 0.1556 0.4999-0.0000 ( 1510 PWs) bands (ev): -7.8797 -7.8797 -6.0090 -6.0089 -1.5539 -1.5534 -0.9769 -0.9764 1.0713 1.0717 3.0916 3.0916 4.4745 4.4776 4.5082 4.5111 6.2467 6.2493 6.3730 6.3766 6.6302 6.6328 7.1391 7.1396 8.6454 8.6490 8.7524 8.7587 10.4842 10.4881 10.6286 10.6303 17.4196 17.4206 18.8703 18.8724 21.1865 21.1871 21.5786 21.5832 k = 0.1444 0.4999-0.0000 ( 1510 PWs) bands (ev): -7.9050 -7.9050 -6.0199 -6.0199 -1.4559 -1.4553 -0.9437 -0.9432 0.9897 0.9902 3.1465 3.1466 4.4642 4.4674 4.5179 4.5208 6.1422 6.1450 6.2843 6.2877 6.7282 6.7306 7.1868 7.1875 8.6966 8.7003 8.7773 8.7837 10.4517 10.4556 10.5897 10.5914 17.3207 17.3216 18.7699 18.7719 21.2078 21.2083 21.6545 21.6591 k = 0.1333 0.4999-0.0000 ( 1494 PWs) bands (ev): -7.9284 -7.9284 -6.0305 -6.0305 -1.3569 -1.3564 -0.9133 -0.9128 0.9075 0.9079 3.2047 3.2049 4.4563 4.4597 4.5314 4.5343 6.0384 6.0413 6.1833 6.1866 6.8258 6.8282 7.2443 7.2452 8.7429 8.7467 8.7954 8.8018 10.4230 10.4269 10.5532 10.5550 17.2275 17.2283 18.6743 18.6761 21.2272 21.2276 21.7301 21.7348 k = 0.1222 0.4999-0.0000 ( 1494 PWs) bands (ev): -7.9500 -7.9500 -6.0406 -6.0406 -1.2573 -1.2567 -0.8858 -0.8854 0.8244 0.8249 3.2654 3.2657 4.4514 4.4550 4.5486 4.5515 5.9363 5.9392 6.0749 6.0782 6.9216 6.9240 7.3064 7.3075 8.7840 8.7878 8.8064 8.8127 10.3982 10.4020 10.5194 10.5212 17.1401 17.1410 18.5840 18.5857 21.2443 21.2446 21.8048 21.8096 k = 0.1111 0.4999-0.0000 ( 1494 PWs) bands (ev): -7.9698 -7.9698 -6.0502 -6.0501 -1.1572 -1.1566 -0.8611 -0.8607 0.7404 0.7409 3.3278 3.3282 4.4501 4.4538 4.5696 4.5725 5.8363 5.8393 5.9623 5.9656 7.0149 7.0173 7.3701 7.3712 8.8101 8.8165 8.8199 8.8234 10.3774 10.3811 10.4887 10.4904 17.0591 17.0599 18.4997 18.5012 21.2589 21.2592 21.8786 21.8834 k = 0.1000 0.4999-0.0000 ( 1498 PWs) bands (ev): -7.9878 -7.9878 -6.0590 -6.0590 -1.0569 -1.0563 -0.8391 -0.8387 0.6555 0.6560 3.3909 3.3914 4.4531 4.4569 4.5945 4.5974 5.7390 5.7419 5.8475 5.8508 7.1052 7.1076 7.4332 7.4344 8.8074 8.8134 8.8498 8.8533 10.3607 10.3642 10.4613 10.4630 16.9846 16.9853 18.4218 18.4231 21.2711 21.2714 21.9510 21.9558 k = 0.0889 0.4999-0.0000 ( 1502 PWs) bands (ev): -8.0039 -8.0039 -6.0671 -6.0671 -0.9565 -0.9559 -0.8197 -0.8194 0.5696 0.5701 3.4534 3.4540 4.4612 4.4652 4.6233 4.6262 5.6444 5.6474 5.7319 5.7351 7.1916 7.1939 7.4941 7.4953 8.7984 8.8042 8.8741 8.8776 10.3477 10.3509 10.4373 10.4389 16.9170 16.9177 18.3506 18.3518 21.2810 21.2811 22.0219 22.0267 k = 0.0778 0.4999-0.0000 ( 1506 PWs) bands (ev): -8.0181 -8.0181 -6.0744 -6.0744 -0.8562 -0.8556 -0.8029 -0.8026 0.4826 0.4832 3.5138 3.5145 4.4754 4.4796 4.6560 4.6590 5.5530 5.5560 5.6166 5.6199 7.2733 7.2756 7.5516 7.5528 8.7842 8.7896 8.8932 8.8965 10.3381 10.3410 10.4168 10.4183 16.8566 16.8572 18.2869 18.2879 21.2887 21.2888 22.0909 22.0957 k = 0.0667 0.4999-0.0000 ( 1506 PWs) bands (ev): -8.0304 -8.0304 -6.0808 -6.0808 -0.7885 -0.7882 -0.7562 -0.7556 0.3947 0.3953 3.5704 3.5713 4.4968 4.5011 4.6928 4.6957 5.4649 5.4679 5.5029 5.5062 7.3492 7.3514 7.6045 7.6056 8.7659 8.7709 8.9074 8.9103 10.3313 10.3340 10.3998 10.4011 16.8037 16.8042 18.2308 18.2317 21.2945 21.2945 22.1578 22.1625 k = 0.0556 0.4999-0.0000 ( 1506 PWs) bands (ev): -8.0409 -8.0409 -6.0864 -6.0863 -0.7764 -0.7762 -0.6569 -0.6562 0.3059 0.3065 3.6216 3.6225 4.5263 4.5306 4.7334 4.7364 5.3805 5.3835 5.3918 5.3952 7.4181 7.4201 7.6517 7.6527 8.7452 8.7496 8.9172 8.9199 10.3269 10.3292 10.3860 10.3872 16.7584 16.7588 18.1826 18.1833 21.2986 21.2987 22.2223 22.2270 k = 0.0444 0.4999-0.0000 ( 1506 PWs) bands (ev): -8.0495 -8.0494 -6.0909 -6.0909 -0.7667 -0.7665 -0.5584 -0.5577 0.2162 0.2168 3.6655 3.6664 4.5644 4.5687 4.7779 4.7808 5.2847 5.2881 5.2999 5.3029 7.4784 7.4802 7.6922 7.6931 8.7240 8.7277 8.9237 8.9259 10.3243 10.3261 10.3753 10.3763 16.7211 16.7214 18.1429 18.1434 21.3016 21.3016 22.2841 22.2887 k = 0.0333 0.4999-0.0000 ( 1506 PWs) bands (ev): -8.0561 -8.0561 -6.0945 -6.0945 -0.7592 -0.7590 -0.4611 -0.4605 0.1259 0.1265 3.7009 3.7017 4.6105 4.6146 4.8259 4.8288 5.1838 5.1871 5.2237 5.2267 7.5283 7.5298 7.7250 7.7257 8.7042 8.7071 8.9275 8.9292 10.3229 10.3243 10.3674 10.3682 16.6919 16.6921 18.1117 18.1121 21.3035 21.3035 22.3429 22.3475 k = 0.0222 0.4999-0.0000 ( 1510 PWs) bands (ev): -8.0609 -8.0609 -6.0971 -6.0971 -0.7538 -0.7537 -0.3662 -0.3656 0.0361 0.0367 3.7268 3.7273 4.6618 4.6655 4.8765 4.8793 5.0929 5.0961 5.1529 5.1557 7.5660 7.5670 7.7492 7.7497 8.6881 8.6901 8.9295 8.9307 10.3223 10.3233 10.3621 10.3626 16.6709 16.6711 18.0893 18.0896 21.3046 21.3046 22.3985 22.4030 k = 0.0111 0.4999-0.0000 ( 1510 PWs) bands (ev): -8.0637 -8.0637 -6.0987 -6.0987 -0.7506 -0.7506 -0.2775 -0.2770 -0.0495 -0.0490 3.7425 3.7428 4.7101 4.7127 4.9264 4.9288 5.0216 5.0239 5.0913 5.0936 7.5895 7.5901 7.7641 7.7644 8.6777 8.6788 8.9305 8.9311 10.3222 10.3227 10.3590 10.3593 16.6583 16.6584 18.0758 18.0759 21.3052 21.3053 22.4503 22.4546 k = 0.0000 0.4999-0.0000 ( 1514 PWs) bands (ev): -8.0647 -8.0647 -6.0992 -6.0992 -0.7496 -0.7496 -0.2246 -0.2246 -0.1008 -0.1008 3.7479 3.7479 4.7338 4.7338 4.9561 4.9561 4.9924 4.9924 5.0598 5.0598 7.5977 7.5977 7.7692 7.7692 8.6745 8.6745 8.9310 8.9310 10.3224 10.3224 10.3580 10.3580 16.6541 16.6541 18.0713 18.0713 21.3054 21.3054 22.4911 22.4911 k = 0.0000 0.4999-0.0000 ( 1514 PWs) bands (ev): -8.0647 -8.0647 -6.0992 -6.0992 -0.7496 -0.7496 -0.2246 -0.2246 -0.1008 -0.1008 3.7479 3.7479 4.7338 4.7338 4.9561 4.9561 4.9924 4.9924 5.0598 5.0598 7.5977 7.5977 7.7692 7.7692 8.6745 8.6745 8.9310 8.9310 10.3224 10.3224 10.3580 10.3580 16.6541 16.6541 18.0713 18.0713 21.3054 21.3054 22.4911 22.4911 k = 0.0000 0.4888-0.0000 ( 1506 PWs) bands (ev): -8.0676 -8.0676 -6.0950 -6.0950 -0.7503 -0.7502 -0.2248 -0.2248 -0.1019 -0.1019 3.7498 3.7498 4.7354 4.7354 4.9508 4.9517 4.9583 4.9590 5.1008 5.1011 7.5955 7.5956 7.7676 7.7677 8.6066 8.6067 8.9982 8.9982 10.3237 10.3251 10.3626 10.3640 16.6526 16.6526 18.0725 18.0725 21.2959 21.2960 22.4777 22.4781 k = 0.0000 0.4777-0.0000 ( 1506 PWs) bands (ev): -8.0764 -8.0764 -6.0825 -6.0825 -0.7524 -0.7524 -0.2254 -0.2254 -0.1050 -0.1050 3.7556 3.7556 4.7400 4.7400 4.8897 4.8901 4.9641 4.9643 5.1642 5.1645 7.5889 7.5892 7.7628 7.7630 8.4789 8.4790 9.1236 9.1236 10.3300 10.3323 10.3773 10.3795 16.6480 16.6480 18.0759 18.0759 21.2677 21.2678 22.4385 22.4393 k = 0.0000 0.4666-0.0000 ( 1506 PWs) bands (ev): -8.0908 -8.0907 -6.0620 -6.0620 -0.7559 -0.7559 -0.2264 -0.2264 -0.1102 -0.1102 3.7652 3.7653 4.7476 4.7477 4.8262 4.8267 4.9740 4.9741 5.2305 5.2308 7.5781 7.5785 7.7551 7.7553 8.3380 8.3382 9.2608 9.2608 10.3422 10.3450 10.4006 10.4033 16.6403 16.6403 18.0816 18.0816 21.2216 21.2218 22.3760 22.3771 k = 0.0000 0.4555-0.0000 ( 1502 PWs) bands (ev): -8.1103 -8.1103 -6.0338 -6.0338 -0.7608 -0.7607 -0.2277 -0.2277 -0.1174 -0.1174 3.7785 3.7786 4.7571 4.7582 4.7629 4.7644 4.9878 4.9879 5.2977 5.2979 7.5633 7.5638 7.7445 7.7449 8.1930 8.1931 9.4008 9.4009 10.3608 10.3638 10.4315 10.4344 16.6297 16.6297 18.0893 18.0893 21.1590 21.1593 22.2937 22.2950 k = 0.0000 0.4443-0.0000 ( 1502 PWs) bands (ev): -8.1345 -8.1345 -5.9985 -5.9985 -0.7670 -0.7669 -0.2293 -0.2293 -0.1265 -0.1265 3.7955 3.7957 4.7001 4.7005 4.7715 4.7715 5.0054 5.0055 5.3652 5.3655 7.5448 7.5454 7.7314 7.7318 8.0462 8.0464 9.5414 9.5414 10.3859 10.3891 10.4694 10.4723 16.6163 16.6163 18.0989 18.0989 21.0815 21.0818 22.1949 22.1963 k = 0.0000 0.4332-0.0000 ( 1504 PWs) bands (ev): -8.1629 -8.1629 -5.9567 -5.9567 -0.7744 -0.7744 -0.2311 -0.2311 -0.1375 -0.1375 3.8160 3.8162 4.6382 4.6387 4.7871 4.7871 5.0267 5.0269 5.4328 5.4331 7.5228 7.5236 7.7161 7.7165 7.8989 7.8991 9.6814 9.6815 10.4173 10.4206 10.5135 10.5166 16.6001 16.6001 18.1102 18.1102 20.9908 20.9912 22.0827 22.0841 k = 0.0000 0.4221-0.0000 ( 1504 PWs) bands (ev): -8.1949 -8.1949 -5.9090 -5.9090 -0.7831 -0.7831 -0.2329 -0.2329 -0.1502 -0.1502 3.8399 3.8401 4.5774 4.5779 4.8048 4.8048 5.0517 5.0519 5.5003 5.5006 7.4979 7.4988 7.6988 7.6994 7.7519 7.7520 9.8205 9.8205 10.4549 10.4581 10.5636 10.5666 16.5813 16.5813 18.1229 18.1229 20.8888 20.8892 21.9597 21.9611 k = 0.0000 0.4110-0.0000 ( 1504 PWs) bands (ev): -8.2300 -8.2300 -5.8560 -5.8560 -0.7930 -0.7929 -0.2347 -0.2347 -0.1646 -0.1646 3.8668 3.8672 4.5175 4.5182 4.8242 4.8242 5.0802 5.0804 5.5675 5.5677 7.4703 7.4712 7.6054 7.6058 7.6804 7.6809 9.9583 9.9584 10.4982 10.5015 10.6190 10.6220 16.5601 16.5601 18.1367 18.1367 20.7772 20.7776 21.8282 21.8296 k = 0.0000 0.3999-0.0000 ( 1504 PWs) bands (ev): -8.2675 -8.2675 -5.7983 -5.7982 -0.8040 -0.8039 -0.2363 -0.2363 -0.1804 -0.1804 3.8968 3.8972 4.4589 4.4596 4.8446 4.8447 5.1121 5.1123 5.6341 5.6343 7.4400 7.4414 7.4605 7.4612 7.6608 7.6613 10.0948 10.0948 10.5469 10.5502 10.6794 10.6824 16.5366 16.5366 18.1514 18.1514 20.6576 20.6581 21.6899 21.6912 k = 0.0000 0.3888-0.0000 ( 1504 PWs) bands (ev): -8.3070 -8.3070 -5.7365 -5.7364 -0.8160 -0.8159 -0.2376 -0.2376 -0.1977 -0.1977 3.9293 3.9298 4.4016 4.4024 4.8655 4.8656 5.1473 5.1475 5.7000 5.7002 7.3177 7.3180 7.4087 7.4096 7.6407 7.6413 10.2296 10.2296 10.6007 10.6038 10.7444 10.7473 16.5109 16.5110 18.1665 18.1665 20.5315 20.5321 21.5463 21.5476 k = 0.0000 0.3777-0.0000 ( 1500 PWs) bands (ev): -8.3480 -8.3480 -5.6711 -5.6711 -0.8289 -0.8288 -0.2385 -0.2384 -0.2161 -0.2161 3.9642 3.9649 4.3457 4.3468 4.8860 4.8860 5.1855 5.1859 5.7649 5.7651 7.1779 7.1783 7.3751 7.3761 7.6206 7.6212 10.3626 10.3627 10.6590 10.6621 10.8135 10.8164 16.4832 16.4833 18.1817 18.1817 20.4006 20.4011 21.3988 21.3999 k = 0.0000 0.3666-0.0000 ( 1500 PWs) bands (ev): -8.3901 -8.3901 -5.6027 -5.6026 -0.8426 -0.8425 -0.2387 -0.2387 -0.2356 -0.2356 4.0008 4.0019 4.2915 4.2930 4.9048 4.9049 5.2268 5.2271 5.8285 5.8287 7.0422 7.0426 7.3403 7.3414 7.6010 7.6016 10.4939 10.4939 10.7215 10.7246 10.8864 10.8892 16.4536 16.4537 18.1964 18.1964 20.2659 20.2665 21.2482 21.2493 k = 0.0000 0.3555-0.0000 ( 1500 PWs) bands (ev): -8.4330 -8.4329 -5.5317 -5.5317 -0.8572 -0.8570 -0.2561 -0.2561 -0.2380 -0.2379 4.0381 4.0398 4.2399 4.2420 4.9206 4.9207 5.2708 5.2712 5.8906 5.8908 6.9118 6.9122 7.3045 7.3056 7.5824 7.5830 10.6231 10.6231 10.7878 10.7909 10.9627 10.9655 16.4222 16.4223 18.2102 18.2102 20.1289 20.1296 21.0956 21.0966 k = 0.0000 0.3444-0.0000 ( 1504 PWs) bands (ev): -8.4762 -8.4762 -5.4586 -5.4585 -0.8723 -0.8722 -0.2774 -0.2774 -0.2363 -0.2363 4.0726 4.0756 4.1936 4.1970 4.9317 4.9318 5.3174 5.3179 5.9508 5.9510 6.7884 6.7889 7.2680 7.2691 7.5653 7.5658 10.7503 10.7503 10.8576 10.8606 11.0421 11.0448 16.3891 16.3892 18.2223 18.2224 19.9909 19.9916 20.9416 20.9425 k = 0.0000 0.3333-0.0000 ( 1512 PWs) bands (ev): -8.5196 -8.5196 -5.3838 -5.3837 -0.8881 -0.8880 -0.2993 -0.2993 -0.2334 -0.2334 4.0878 4.0927 4.1690 4.1742 4.9360 4.9361 5.3664 5.3669 6.0089 6.0090 6.6741 6.6747 7.2310 7.2320 7.5501 7.5506 10.8752 10.8752 10.9305 10.9333 11.1242 11.1268 16.3543 16.3544 18.2321 18.2322 19.8532 19.8539 20.7869 20.7877 k = 0.0000 0.3221-0.0000 ( 1508 PWs) bands (ev): -8.5629 -8.5629 -5.3076 -5.3075 -0.9044 -0.9043 -0.3218 -0.3218 -0.2291 -0.2290 4.0624 4.0655 4.1915 4.1950 4.9309 4.9311 5.4177 5.4183 6.0645 6.0647 6.5712 6.5719 7.1937 7.1948 7.5374 7.5379 10.9965 10.9973 11.0074 11.0094 11.2088 11.2113 16.3180 16.3182 18.2386 18.2386 19.7173 19.7180 20.6322 20.6329 k = 0.0000 0.3110-0.0000 ( 1512 PWs) bands (ev): -8.6059 -8.6059 -5.2304 -5.2303 -0.9210 -0.9209 -0.3446 -0.3446 -0.2231 -0.2230 4.0208 4.0227 4.2322 4.2345 4.9140 4.9142 5.4710 5.4716 6.1173 6.1175 6.4822 6.4830 7.1564 7.1574 7.5276 7.5281 11.0831 11.0860 11.1188 11.1189 11.2954 11.2978 16.2803 16.2804 18.2405 18.2405 19.5848 19.5855 20.4779 20.4786 k = 0.0000 0.2999-0.0000 ( 1508 PWs) bands (ev): -8.6483 -8.6483 -5.1526 -5.1525 -0.9380 -0.9378 -0.3677 -0.3676 -0.2152 -0.2151 3.9766 3.9779 4.2771 4.2789 4.8826 4.8829 5.5262 5.5268 6.1671 6.1673 6.4095 6.4103 7.1192 7.1202 7.5211 7.5216 11.1631 11.1660 11.2365 11.2366 11.3839 11.3863 16.2412 16.2414 18.2363 18.2363 19.4578 19.4585 20.3247 20.3253 k = 0.0000 0.2888-0.0000 ( 1508 PWs) bands (ev): -8.6901 -8.6901 -5.0745 -5.0744 -0.9551 -0.9550 -0.3908 -0.3908 -0.2052 -0.2052 3.9325 3.9335 4.3238 4.3252 4.8350 4.8353 5.5830 5.5837 6.2134 6.2136 6.3545 6.3555 7.0823 7.0833 7.5183 7.5187 11.2447 11.2475 11.3517 11.3518 11.4738 11.4762 16.2007 16.2009 18.2241 18.2241 19.3384 19.3391 20.1729 20.1735 k = 0.0000 0.2777-0.0000 ( 1508 PWs) bands (ev): -8.7310 -8.7310 -4.9965 -4.9964 -0.9724 -0.9722 -0.4140 -0.4140 -0.1930 -0.1929 3.8895 3.8902 4.3711 4.3724 4.7706 4.7710 5.6412 5.6419 6.2561 6.2564 6.3180 6.3190 7.0459 7.0468 7.5194 7.5198 11.3276 11.3303 11.4642 11.4643 11.5650 11.5673 16.1589 16.1591 18.2016 18.2016 19.2291 19.2298 20.0230 20.0235 k = 0.0000 0.2666-0.0000 ( 1504 PWs) bands (ev): -8.7710 -8.7710 -4.9188 -4.9187 -0.9896 -0.9895 -0.4371 -0.4371 -0.1781 -0.1780 3.8477 3.8483 4.4188 4.4199 4.6900 4.6904 5.7006 5.7014 6.2950 6.2952 6.2990 6.3000 7.0101 7.0110 7.5246 7.5250 11.4116 11.4142 11.5739 11.5740 11.6571 11.6593 16.1159 16.1161 18.1666 18.1667 19.1326 19.1332 19.8753 19.8757 k = 0.0000 0.2555-0.0000 ( 1500 PWs) bands (ev): -8.8099 -8.8098 -4.8418 -4.8417 -1.0069 -1.0067 -0.4599 -0.4599 -0.1605 -0.1603 3.8072 3.8078 4.4663 4.4674 4.5948 4.5952 5.7610 5.7618 6.2957 6.2968 6.3301 6.3304 6.9750 6.9758 7.5341 7.5344 11.4963 11.4989 11.6806 11.6807 11.7499 11.7520 16.0717 16.0719 18.1174 18.1175 19.0506 19.0512 19.7302 19.7306 k = 0.0000 0.2444-0.0000 ( 1500 PWs) bands (ev): -8.8476 -8.8476 -4.7658 -4.7657 -1.0240 -1.0238 -0.4825 -0.4825 -0.1398 -0.1397 3.7683 3.7688 4.4872 4.4874 4.5136 4.5144 5.8220 5.8228 6.3059 6.3070 6.3614 6.3617 6.9408 6.9416 7.5477 7.5480 11.5815 11.5840 11.7842 11.7843 11.8431 11.8451 16.0264 16.0266 18.0534 18.0536 18.9841 18.9846 19.5882 19.5885 k = 0.0000 0.2333-0.0000 ( 1496 PWs) bands (ev): -8.8841 -8.8840 -4.6911 -4.6910 -1.0408 -1.0407 -0.5046 -0.5046 -0.1159 -0.1157 3.7309 3.7313 4.3696 4.3700 4.5599 4.5608 5.8835 5.8843 6.3269 6.3280 6.3889 6.3893 6.9075 6.9082 7.5652 7.5655 11.6667 11.6692 11.8846 11.8848 11.9362 11.9382 15.9801 15.9803 17.9758 17.9760 18.9320 18.9324 19.4495 19.4498 k = 0.0000 0.2222-0.0000 ( 1490 PWs) bands (ev): -8.9192 -8.9192 -4.6179 -4.6178 -1.0574 -1.0573 -0.5262 -0.5262 -0.0885 -0.0883 3.6951 3.6955 4.2441 4.2445 4.6054 4.6062 5.9452 5.9460 6.3565 6.3576 6.4131 6.4135 6.8753 6.8759 7.5863 7.5866 11.7518 11.7542 11.9818 11.9819 12.0292 12.0311 15.9329 15.9331 17.8869 17.8872 18.8920 18.8924 19.3145 19.3148 k = 0.0000 0.2111-0.0000 ( 1498 PWs) bands (ev): -8.9530 -8.9530 -4.5466 -4.5465 -1.0737 -1.0735 -0.5472 -0.5472 -0.0574 -0.0573 3.6609 3.6612 4.1125 4.1129 4.6496 4.6504 6.0067 6.0075 6.3925 6.3936 6.4340 6.4345 6.8442 6.8447 7.6107 7.6109 11.8362 11.8385 12.0754 12.0756 12.1215 12.1233 15.8849 15.8851 17.7896 17.7900 18.8612 18.8615 19.1835 19.1837 k = 0.0000 0.2000-0.0000 ( 1498 PWs) bands (ev): -8.9853 -8.9853 -4.4775 -4.4774 -1.0894 -1.0893 -0.5676 -0.5676 -0.0225 -0.0224 3.6284 3.6287 3.9765 3.9769 4.6923 4.6931 6.0678 6.0686 6.4334 6.4345 6.4523 6.4528 6.8143 6.8148 7.6377 7.6379 11.9199 11.9221 12.1655 12.1656 12.2128 12.2146 15.8364 15.8366 17.6872 17.6876 18.8364 18.8366 19.0569 19.0571 k = 0.0000 0.1888-0.0000 ( 1490 PWs) bands (ev): -9.0160 -9.0160 -4.4107 -4.4106 -1.1047 -1.1046 -0.5872 -0.5872 0.0165 0.0167 3.5975 3.5978 3.8373 3.8377 4.7335 4.7342 6.1282 6.1290 6.4681 6.4685 6.4779 6.4789 6.7857 6.7861 7.6669 7.6671 12.0024 12.0045 12.2518 12.2520 12.3029 12.3046 15.7875 15.7877 17.5820 17.5825 18.8142 18.8144 18.9349 18.9351 k = 0.0000 0.1777-0.0000 ( 1490 PWs) bands (ev): -9.0453 -9.0453 -4.3465 -4.3464 -1.1195 -1.1194 -0.6061 -0.6061 0.0597 0.0598 3.5683 3.5686 3.6958 3.6962 4.7727 4.7734 6.1875 6.1883 6.4820 6.4825 6.5243 6.5253 6.7585 6.7588 7.6976 7.6978 12.0833 12.0853 12.3343 12.3344 12.3913 12.3930 15.7385 15.7387 17.4763 17.4767 18.7906 18.7908 18.8180 18.8181 k = 0.0000 0.1666-0.0000 ( 1490 PWs) bands (ev): -9.0729 -9.0729 -4.2853 -4.2852 -1.1336 -1.1335 -0.6241 -0.6240 0.1072 0.1073 3.5406 3.5410 3.5531 3.5533 4.8099 4.8106 6.2455 6.2462 6.4943 6.4949 6.5721 6.5731 6.7327 6.7329 7.7294 7.7296 12.1623 12.1642 12.4127 12.4128 12.4777 12.4793 15.6895 15.6898 17.3716 17.3721 18.7062 18.7063 18.7589 18.7590 k = 0.0000 0.1555-0.0000 ( 1490 PWs) bands (ev): -9.0989 -9.0989 -4.2272 -4.2271 -1.1471 -1.1470 -0.6411 -0.6411 0.1591 0.1592 3.4092 3.4095 3.5151 3.5153 4.8449 4.8456 6.3017 6.3024 6.5052 6.5059 6.6203 6.6212 6.7084 6.7085 7.7617 7.7618 12.2390 12.2408 12.4869 12.4870 12.5616 12.5632 15.6411 15.6413 17.2694 17.2699 18.6000 18.6001 18.7111 18.7113 k = 0.0000 0.1444-0.0000 ( 1488 PWs) bands (ev): -9.1232 -9.1232 -4.1724 -4.1723 -1.1598 -1.1597 -0.6572 -0.6572 0.2154 0.2156 3.2654 3.2658 3.4910 3.4912 4.8776 4.8782 6.3560 6.3567 6.5152 6.5159 6.6681 6.6690 6.6857 6.6857 7.7938 7.7939 12.3129 12.3147 12.5569 12.5570 12.6428 12.6442 15.5934 15.5937 17.1706 17.1711 18.4997 18.4997 18.6493 18.6496 k = 0.0000 0.1333-0.0000 ( 1492 PWs) bands (ev): -9.1459 -9.1459 -4.1211 -4.1210 -1.1718 -1.1717 -0.6723 -0.6723 0.2763 0.2765 3.1221 3.1224 3.4687 3.4688 4.9079 4.9085 6.4079 6.4085 6.5243 6.5251 6.6644 6.6645 6.7150 6.7158 7.8255 7.8256 12.3838 12.3854 12.6224 12.6225 12.7206 12.7220 15.5469 15.5472 17.0763 17.0767 18.4054 18.4055 18.5835 18.5838 k = 0.0000 0.1222-0.0000 ( 1496 PWs) bands (ev): -9.1668 -9.1668 -4.0735 -4.0734 -1.1830 -1.1829 -0.6863 -0.6863 0.3416 0.3418 2.9797 2.9800 3.4481 3.4483 4.9357 4.9363 6.4570 6.4577 6.5326 6.5336 6.6447 6.6450 6.7602 6.7610 7.8561 7.8562 12.4511 12.4526 12.6832 12.6833 12.7946 12.7959 15.5020 15.5022 16.9870 16.9874 18.3175 18.3176 18.5196 18.5199 k = 0.0000 0.1111-0.0000 ( 1500 PWs) bands (ev): -9.1859 -9.1859 -4.0297 -4.0296 -1.1933 -1.1932 -0.6992 -0.6992 0.4112 0.4114 2.8387 2.8390 3.4293 3.4294 4.9610 4.9615 6.5033 6.5038 6.5403 6.5413 6.6268 6.6272 6.8034 6.8041 7.8854 7.8855 12.5145 12.5159 12.7394 12.7394 12.8644 12.8657 15.4591 15.4593 16.9034 16.9038 18.2363 18.2363 18.4601 18.4604 k = 0.0000 0.1000-0.0000 ( 1506 PWs) bands (ev): -9.2033 -9.2033 -3.9898 -3.9897 -1.2027 -1.2027 -0.7110 -0.7110 0.4849 0.4851 2.6996 2.6999 3.4123 3.4124 4.9838 4.9843 6.5450 6.5463 6.5483 6.5488 6.6106 6.6114 6.8440 6.8446 7.9129 7.9130 12.5735 12.5748 12.7906 12.7906 12.9296 12.9307 15.4186 15.4188 16.8263 16.8266 18.1619 18.1619 18.4060 18.4062 k = 0.0000 0.0889-0.0000 ( 1507 PWs) bands (ev): -9.2189 -9.2189 -3.9539 -3.9538 -1.2113 -1.2112 -0.7217 -0.7216 0.5624 0.5627 2.5630 2.5633 3.3970 3.3971 5.0040 5.0045 6.5527 6.5544 6.5857 6.5860 6.5967 6.5978 6.8815 6.8821 7.9384 7.9384 12.6277 12.6289 12.8367 12.8368 12.9895 12.9905 15.3809 15.3811 16.7559 16.7563 18.0948 18.0948 18.3575 18.3577 k = 0.0000 0.0778-0.0000 ( 1509 PWs) bands (ev): -9.2327 -9.2327 -3.9221 -3.9220 -1.2189 -1.2188 -0.7311 -0.7311 0.6433 0.6435 2.4297 2.4300 3.3835 3.3836 5.0218 5.0222 6.5566 6.5589 6.5853 6.5871 6.6211 6.6215 6.9157 6.9162 7.9615 7.9616 12.6767 12.6778 12.8778 12.8778 13.0438 13.0447 15.3465 15.3467 16.6928 16.6931 18.0349 18.0349 18.3148 18.3150 k = 0.0000 0.0667-0.0000 ( 1501 PWs) bands (ev): -9.2447 -9.2447 -3.8944 -3.8944 -1.2255 -1.2255 -0.7393 -0.7393 0.7268 0.7270 2.3005 2.3008 3.3718 3.3719 5.0371 5.0374 6.5568 6.5593 6.5792 6.5813 6.6524 6.6528 6.9460 6.9465 7.9821 7.9821 12.7202 12.7212 12.9138 12.9138 13.0921 13.0929 15.3159 15.3160 16.6374 16.6377 17.9826 17.9826 18.2781 18.2782 k = 0.0000 0.0555-0.0000 ( 1509 PWs) bands (ev): -9.2548 -9.2548 -3.8710 -3.8709 -1.2312 -1.2311 -0.7463 -0.7463 0.8116 0.8118 2.1767 2.1769 3.3619 3.3620 5.0499 5.0502 6.5528 6.5546 6.5793 6.5808 6.6793 6.6796 6.9723 6.9726 7.9998 7.9998 12.7576 12.7584 12.9442 12.9442 13.1337 13.1344 15.2892 15.2893 16.5899 16.5901 17.9380 17.9380 18.2471 18.2472 k = 0.0000 0.0444-0.0000 ( 1509 PWs) bands (ev): -9.2631 -9.2631 -3.8517 -3.8517 -1.2358 -1.2358 -0.7521 -0.7521 0.8960 0.8962 2.0604 2.0606 3.3538 3.3538 5.0603 5.0606 6.5472 6.5483 6.5818 6.5827 6.7017 6.7020 6.9941 6.9944 8.0145 8.0146 12.7888 12.7894 12.9694 12.9695 13.1684 13.1689 15.2669 15.2670 16.5506 16.5508 17.9012 17.9013 18.2219 18.2220 k = 0.0000 0.0333-0.0000 ( 1509 PWs) bands (ev): -9.2696 -9.2696 -3.8368 -3.8367 -1.2394 -1.2394 -0.7566 -0.7566 0.9765 0.9767 1.9549 1.9552 3.3475 3.3475 5.0684 5.0686 6.5421 6.5428 6.5845 6.5851 6.7193 6.7195 7.0114 7.0116 8.0262 8.0262 12.8133 12.8138 12.9890 12.9890 13.1958 13.1962 15.2493 15.2494 16.5199 16.5200 17.8726 17.8726 18.2024 18.2024 k = 0.0000 0.0222-0.0000 ( 1511 PWs) bands (ev): -9.2743 -9.2743 -3.8261 -3.8260 -1.2420 -1.2420 -0.7598 -0.7598 1.0473 1.0474 1.8663 1.8665 3.3430 3.3430 5.0742 5.0743 6.5382 6.5387 6.5867 6.5870 6.7319 6.7321 7.0239 7.0241 8.0345 8.0346 12.8310 12.8313 13.0030 13.0030 13.2155 13.2158 15.2365 15.2366 16.4977 16.4978 17.8520 17.8520 18.1885 18.1885 k = 0.0000 0.0111-0.0000 ( 1511 PWs) bands (ev): -9.2770 -9.2770 -3.8196 -3.8196 -1.2436 -1.2436 -0.7617 -0.7617 1.0986 1.0987 1.8043 1.8044 3.3403 3.3403 5.0776 5.0777 6.5359 6.5361 6.5881 6.5882 6.7396 6.7396 7.0314 7.0315 8.0396 8.0396 12.8419 12.8420 13.0115 13.0116 13.2275 13.2277 15.2288 15.2288 16.4844 16.4845 17.8396 17.8396 18.1801 18.1802 k = 0.0000 0.0000 0.0000 ( 1511 PWs) bands (ev): -9.2780 -9.2780 -3.8175 -3.8175 -1.2441 -1.2441 -0.7624 -0.7624 1.1180 1.1180 1.7815 1.7815 3.3394 3.3394 5.0788 5.0788 6.5352 6.5352 6.5886 6.5886 6.7421 6.7421 7.0340 7.0340 8.0413 8.0413 12.8455 12.8455 13.0144 13.0144 13.2316 13.2316 15.2262 15.2262 16.4800 16.4800 17.8355 17.8355 18.1774 18.1774 k = 0.0000 0.0000 0.0000 ( 1511 PWs) bands (ev): -9.2780 -9.2780 -3.8175 -3.8175 -1.2441 -1.2441 -0.7624 -0.7624 1.1180 1.1180 1.7815 1.7815 3.3394 3.3394 5.0788 5.0788 6.5352 6.5352 6.5886 6.5886 6.7421 6.7421 7.0340 7.0340 8.0413 8.0413 12.8455 12.8455 13.0144 13.0144 13.2316 13.2316 15.2262 15.2262 16.4800 16.4800 17.8355 17.8355 18.1774 18.1774 k = 0.0000 0.0000 0.0112 ( 1511 PWs) bands (ev): -9.2770 -9.2770 -3.8171 -3.8171 -1.2759 -1.2759 -0.7323 -0.7323 1.1187 1.1187 1.7821 1.7822 3.3430 3.3431 5.0773 5.0773 6.5329 6.5330 6.5876 6.5878 6.7430 6.7432 7.0317 7.0318 8.0395 8.0396 12.8425 12.8425 13.0102 13.0107 13.2271 13.2277 15.2313 15.2313 16.4802 16.4802 17.8393 17.8395 18.1821 18.1822 k = 0.0000 0.0000 0.0224 ( 1519 PWs) bands (ev): -9.2743 -9.2743 -3.8160 -3.8160 -1.3550 -1.3549 -0.6583 -0.6582 1.1210 1.1210 1.7841 1.7843 3.3541 3.3543 5.0728 5.0728 6.5261 6.5263 6.5849 6.5852 6.7456 6.7460 7.0251 7.0253 8.0343 8.0345 12.8331 12.8331 12.9980 12.9990 13.2143 13.2154 15.2465 15.2466 16.4809 16.4810 17.8508 17.8511 18.1962 18.1964 k = 0.0000 0.0000 0.0337 ( 1519 PWs) bands (ev): -9.2697 -9.2697 -3.8141 -3.8141 -1.4582 -1.4581 -0.5635 -0.5634 1.1249 1.1249 1.7874 1.7878 3.3727 3.3730 5.0653 5.0653 6.5149 6.5152 6.5804 6.5808 6.7501 6.7506 7.0141 7.0144 8.0259 8.0261 12.8179 12.8180 12.9782 12.9798 13.1935 13.1951 15.2717 15.2718 16.4821 16.4823 17.8699 17.8703 18.2198 18.2200 k = 0.0000 0.0000 0.0449 ( 1515 PWs) bands (ev): -9.2633 -9.2633 -3.8115 -3.8115 -1.5731 -1.5730 -0.4603 -0.4602 1.1303 1.1303 1.7921 1.7927 3.3987 3.3991 5.0548 5.0548 6.4993 6.4997 6.5741 6.5747 6.7564 6.7571 6.9988 6.9992 8.0143 8.0146 12.7969 12.7970 12.9509 12.9530 13.1649 13.1672 15.3067 15.3069 16.4841 16.4843 17.8961 17.8967 18.2527 18.2529 k = 0.0000 0.0000 0.0561 ( 1515 PWs) bands (ev): -9.2551 -9.2551 -3.8081 -3.8081 -1.6943 -1.6942 -0.3541 -0.3540 1.1372 1.1372 1.7982 1.7988 3.4319 3.4324 5.0413 5.0414 6.4794 6.4799 6.5662 6.5668 6.7645 6.7654 6.9793 6.9798 7.9998 8.0002 12.7698 12.7699 12.9163 12.9188 13.1291 13.1318 15.3513 15.3515 16.4869 16.4872 17.9290 17.9297 18.2948 18.2951 k = 0.0000 0.0000 0.0673 ( 1515 PWs) bands (ev): -9.2450 -9.2450 -3.8041 -3.8041 -1.8192 -1.8191 -0.2476 -0.2474 1.1456 1.1456 1.8056 1.8064 3.4725 3.4731 5.0249 5.0250 6.4555 6.4561 6.5564 6.5572 6.7744 6.7755 6.9558 6.9564 7.9827 7.9832 12.7369 12.7369 12.8747 12.8776 13.0864 13.0896 15.4051 15.4053 16.4908 16.4911 17.9679 17.9688 18.3459 18.3462 k = 0.0000 0.0000 0.0785 ( 1519 PWs) bands (ev): -9.2332 -9.2332 -3.7993 -3.7993 -1.9463 -1.9462 -0.1420 -0.1418 1.1555 1.1555 1.8143 1.8152 3.5202 3.5208 5.0056 5.0057 6.4275 6.4282 6.5449 6.5458 6.7861 6.7874 6.9283 6.9289 7.9633 7.9640 12.6980 12.6981 12.8264 12.8297 13.0374 13.0411 15.4678 15.4681 16.4959 16.4962 18.0122 18.0132 18.4058 18.4062 k = 0.0000 0.0000 0.0898 ( 1491 PWs) bands (ev): -9.2196 -9.2196 -3.7939 -3.7939 -2.0748 -2.0747 -0.0381 -0.0379 1.1669 1.1669 1.8245 1.8255 3.5750 3.5758 4.9835 4.9836 6.3959 6.3967 6.5317 6.5327 6.7997 6.8012 6.8970 6.8978 7.9422 7.9430 12.6539 12.6539 12.7719 12.7756 12.9826 12.9867 15.5392 15.5395 16.5025 16.5028 18.0611 18.0621 18.4745 18.4750 k = 0.0000 0.0000 0.1010 ( 1491 PWs) bands (ev): -9.2042 -9.2042 -3.7878 -3.7878 -2.2041 -2.2040 0.0635 0.0638 1.1797 1.1797 1.8358 1.8370 3.6366 3.6374 4.9586 4.9587 6.3607 6.3615 6.5166 6.5176 6.8150 6.8167 6.8621 6.8630 7.9197 7.9206 12.6042 12.6043 12.7117 12.7156 12.9226 12.9269 15.6188 15.6191 16.5106 16.5109 18.1133 18.1145 18.5515 18.5520 k = 0.0000 0.0000 0.1122 ( 1491 PWs) bands (ev): -9.1871 -9.1871 -3.7810 -3.7810 -2.3340 -2.3339 0.1626 0.1629 1.1939 1.1939 1.8485 1.8497 3.7047 3.7056 4.9309 4.9311 6.3221 6.3231 6.4995 6.5006 6.8238 6.8247 6.8321 6.8339 7.8964 7.8974 12.5492 12.5493 12.6462 12.6503 12.8577 12.8623 15.7062 15.7066 16.5203 16.5206 18.1680 18.1691 18.6366 18.6371 k = 0.0000 0.0000 0.1234 ( 1491 PWs) bands (ev): -9.1682 -9.1682 -3.7737 -3.7737 -2.4638 -2.4637 0.2589 0.2593 1.2095 1.2095 1.8624 1.8638 3.7792 3.7802 4.9007 4.9008 6.2805 6.2816 6.4804 6.4815 6.7822 6.7832 6.8509 6.8529 7.8728 7.8740 12.4891 12.4893 12.5760 12.5803 12.7884 12.7933 15.8013 15.8016 16.5319 16.5322 18.2237 18.2249 18.7295 18.7300 k = 0.0000 0.0000 0.1346 ( 1489 PWs) bands (ev): -9.1477 -9.1477 -3.7658 -3.7658 -2.5933 -2.5932 0.3525 0.3530 1.2264 1.2264 1.8775 1.8790 3.8597 3.8608 4.8680 4.8681 6.2363 6.2374 6.4591 6.4603 6.7377 6.7388 6.8714 6.8736 7.8494 7.8507 12.4241 12.4243 12.5015 12.5059 12.7153 12.7203 15.9035 15.9039 16.5453 16.5456 18.2792 18.2804 18.8299 18.8304 k = 0.0000 0.0000 0.1458 ( 1487 PWs) bands (ev): -9.1255 -9.1255 -3.7573 -3.7573 -2.7224 -2.7224 0.4433 0.4438 1.2447 1.2447 1.8938 1.8954 3.9459 3.9470 4.8330 4.8331 6.1896 6.1908 6.4355 6.4367 6.6904 6.6917 6.8937 6.8960 7.8268 7.8283 12.3543 12.3545 12.4234 12.4278 12.6386 12.6438 16.0127 16.0131 16.5606 16.5609 18.3328 18.3340 18.9374 18.9379 k = 0.0000 0.0000 0.1571 ( 1487 PWs) bands (ev): -9.1018 -9.1017 -3.7483 -3.7483 -2.8509 -2.8508 0.5312 0.5318 1.2642 1.2642 1.9113 1.9130 4.0372 4.0384 4.7958 4.7960 6.1409 6.1422 6.4094 6.4107 6.6407 6.6420 6.9176 6.9201 7.8055 7.8073 12.2799 12.2802 12.3420 12.3465 12.5589 12.5641 16.1285 16.1289 16.5778 16.5781 18.3830 18.3842 19.0518 19.0523 k = 0.0000 0.0000 0.1683 ( 1495 PWs) bands (ev): -9.0764 -9.0764 -3.7389 -3.7389 -2.9785 -2.9784 0.6165 0.6171 1.2849 1.2849 1.9298 1.9316 4.1331 4.1344 4.7566 4.7568 6.0907 6.0920 6.3807 6.3819 6.5887 6.5902 6.9432 6.9459 7.7861 7.7881 12.2011 12.2014 12.2579 12.2623 12.4765 12.4817 16.2506 16.2510 16.5969 16.5972 18.4283 18.4295 19.1725 19.1731 k = 0.0000 0.0000 0.1795 ( 1490 PWs) bands (ev): -9.0495 -9.0495 -3.7290 -3.7290 -3.1050 -3.1049 0.6991 0.6998 1.3068 1.3068 1.9494 1.9513 4.2330 4.2343 4.7160 4.7161 6.0394 6.0409 6.3494 6.3506 6.5350 6.5365 6.9703 6.9733 7.7691 7.7713 12.1180 12.1184 12.1714 12.1758 12.3917 12.3969 16.3787 16.3791 16.6179 16.6182 18.4674 18.4685 19.2995 19.3000 k = 0.0000 0.0000 0.1907 ( 1498 PWs) bands (ev): -9.0211 -9.0211 -3.7187 -3.7187 -3.2303 -3.2302 0.7792 0.7801 1.3297 1.3297 1.9699 1.9720 4.3360 4.3374 4.6736 4.6737 5.9878 5.9893 6.3152 6.3164 6.4796 6.4812 6.9991 7.0022 7.7547 7.7571 12.0310 12.0313 12.0831 12.0874 12.3050 12.3102 16.5123 16.5127 16.6408 16.6410 18.4992 18.5002 19.4320 19.4325 k = 0.0000 0.0000 0.2019 ( 1498 PWs) bands (ev): -8.9913 -8.9913 -3.7081 -3.7081 -3.3542 -3.3541 0.8570 0.8579 1.3537 1.3537 1.9913 1.9936 4.4410 4.4425 4.6301 4.6302 5.9366 5.9382 6.2783 6.2794 6.4232 6.4249 7.0295 7.0328 7.7434 7.7461 11.9400 11.9404 11.9934 11.9976 12.2167 12.2218 16.6513 16.6517 16.6654 16.6656 18.5231 18.5240 19.5699 19.5704 k = 0.0000 0.0000 0.2132 ( 1498 PWs) bands (ev): -8.9602 -8.9602 -3.6972 -3.6972 -3.4766 -3.4765 0.9326 0.9336 1.3786 1.3787 2.0136 2.0159 4.5465 4.5483 4.5856 4.5859 5.8870 5.8885 6.2387 6.2397 6.3661 6.3679 7.0613 7.0648 7.7354 7.7383 11.8454 11.8457 11.9026 11.9068 12.1271 12.1321 16.6917 16.6919 16.7953 16.7957 18.5391 18.5399 19.7126 19.7131 k = 0.0000 0.0000 0.2244 ( 1498 PWs) bands (ev): -8.9277 -8.9277 -3.6861 -3.6861 -3.5972 -3.5971 1.0061 1.0072 1.4044 1.4045 2.0365 2.0390 4.5403 4.5404 4.6513 4.6531 5.8402 5.8418 6.1964 6.1974 6.3090 6.3109 7.0946 7.0983 7.7307 7.7339 11.7473 11.7475 11.8112 11.8153 12.0366 12.0415 16.7197 16.7199 16.9440 16.9445 18.5474 18.5481 19.8598 19.8603 k = 0.0000 0.0000 0.2356 ( 1498 PWs) bands (ev): -8.8941 -8.8941 -3.7159 -3.7158 -3.6748 -3.6748 1.0777 1.0790 1.4310 1.4310 2.0601 2.0627 4.4946 4.4947 4.7520 4.7539 5.7983 5.7999 6.1518 6.1527 6.2527 6.2548 7.1293 7.1332 7.7295 7.7330 11.6458 11.6460 11.7195 11.7235 11.9454 11.9502 16.7493 16.7495 17.0972 17.0976 18.5486 18.5492 20.0111 20.0116 k = 0.0000 0.0000 0.2468 ( 1494 PWs) bands (ev): -8.8594 -8.8594 -3.8326 -3.8325 -3.6633 -3.6633 1.1476 1.1490 1.4583 1.4583 2.0841 2.0869 4.4487 4.4488 4.8450 4.8471 5.7640 5.7655 6.1050 6.1059 6.1986 6.2008 7.1654 7.1695 7.7318 7.7355 11.5411 11.5412 11.6278 11.6318 11.8540 11.8586 16.7804 16.7806 17.2545 17.2549 18.5434 18.5440 20.1659 20.1664 k = 0.0000 0.0000 0.2580 ( 1494 PWs) bands (ev): -8.8236 -8.8236 -3.9470 -3.9469 -3.6518 -3.6518 1.2159 1.2174 1.4861 1.4862 2.1085 2.1114 4.4028 4.4030 4.9252 4.9276 5.7402 5.7417 6.0563 6.0571 6.1489 6.1513 7.2027 7.2070 7.7372 7.7412 11.4333 11.4334 11.5366 11.5404 11.7624 11.7670 16.8129 16.8130 17.4155 17.4160 18.5325 18.5330 20.3147 20.3150 k = 0.0000 0.0000 0.2693 ( 1494 PWs) bands (ev): -8.7870 -8.7870 -4.0590 -4.0590 -3.6403 -3.6403 1.2827 1.2842 1.5144 1.5145 2.1331 2.1361 4.3572 4.3574 4.9867 4.9893 5.7289 5.7304 6.0061 6.0069 6.1078 6.1104 7.2412 7.2456 7.7458 7.7500 11.3227 11.3227 11.4461 11.4498 11.6712 11.6756 16.8467 16.8468 17.5801 17.5806 18.5167 18.5171 20.4335 20.4336 k = 0.0000 0.0000 0.2805 ( 1494 PWs) bands (ev): -8.7496 -8.7496 -4.1685 -4.1684 -3.6288 -3.6288 1.3481 1.3497 1.5431 1.5431 2.1577 2.1608 4.3122 4.3123 5.0247 5.0274 5.7276 5.7289 5.9548 5.9555 6.0833 6.0859 7.2808 7.2853 7.7571 7.7617 11.2093 11.2093 11.3568 11.3603 11.5805 11.5847 16.8817 16.8818 17.7479 17.7483 18.4966 18.4970 20.5565 20.5566 k = 0.0000 0.0000 0.2917 ( 1494 PWs) bands (ev): -8.7116 -8.7116 -4.2751 -4.2750 -3.6174 -3.6174 1.4121 1.4139 1.5719 1.5719 2.1822 2.1854 4.2679 4.2681 5.0380 5.0410 5.7254 5.7264 5.9027 5.9033 6.0873 6.0897 7.3213 7.3261 7.7711 7.7759 11.0933 11.0933 11.2688 11.2723 11.4906 11.4947 16.9179 16.9180 17.9186 17.9190 18.4729 18.4732 20.6831 20.6831 k = 0.0000 0.0000 0.3029 ( 1494 PWs) bands (ev): -8.6732 -8.6731 -4.3787 -4.3787 -3.6061 -3.6061 1.4749 1.4769 1.6008 1.6008 2.2062 2.2096 4.2247 4.2248 5.0305 5.0335 5.7101 5.7105 5.8503 5.8508 6.1288 6.1308 7.3627 7.3676 7.7873 7.7923 10.9749 10.9749 11.1826 11.1859 11.4019 11.4058 16.9551 16.9552 18.0918 18.0923 18.4460 18.4463 20.8125 20.8125 k = 0.0000 0.0000 0.3141 ( 1502 PWs) bands (ev): -8.6344 -8.6344 -4.4791 -4.4791 -3.5951 -3.5951 1.5365 1.5386 1.6296 1.6296 2.2296 2.2332 4.1826 4.1827 5.0076 5.0106 5.6791 5.6791 5.7979 5.7984 6.2047 6.2062 7.4048 7.4099 7.8054 7.8106 10.8542 10.8543 11.0986 11.1017 11.3146 11.3183 16.9934 16.9934 18.2673 18.2678 18.4164 18.4167 20.9441 20.9441 k = 0.0000 0.0000 0.3254 ( 1490 PWs) bands (ev): -8.5956 -8.5956 -4.5760 -4.5760 -3.5844 -3.5844 1.5969 1.5991 1.6581 1.6581 2.2523 2.2560 4.1420 4.1421 4.9749 4.9779 5.6373 5.6377 5.7461 5.7465 6.3047 6.3058 7.4475 7.4528 7.8250 7.8305 10.7316 10.7317 11.0171 11.0200 11.2290 11.2326 17.0325 17.0325 18.3845 18.3847 18.4450 18.4454 21.0772 21.0773 k = 0.0000 0.0000 0.3366 ( 1498 PWs) bands (ev): -8.5570 -8.5570 -4.6692 -4.6691 -3.5740 -3.5740 1.6561 1.6585 1.6861 1.6862 2.2738 2.2776 4.1030 4.1031 4.9361 4.9392 5.5901 5.5908 5.6951 5.6955 6.4202 6.4210 7.4906 7.4961 7.8456 7.8513 10.6070 10.6071 10.9384 10.9411 11.1454 11.1488 17.0724 17.0724 18.3506 18.3508 18.6239 18.6243 21.2110 21.2111 k = 0.0000 0.0000 0.3478 ( 1498 PWs) bands (ev): -8.5187 -8.5187 -4.7583 -4.7583 -3.5641 -3.5641 1.7135 1.7136 1.7141 1.7166 2.2939 2.2978 4.0659 4.0660 4.8942 4.8972 5.5408 5.5417 5.6455 5.6459 6.5455 6.5461 7.5339 7.5395 7.8669 7.8729 10.4808 10.4809 10.8629 10.8655 11.0642 11.0675 17.1129 17.1130 18.3151 18.3152 18.8041 18.8046 21.3449 21.3450 k = 0.0000 0.0000 0.3590 ( 1498 PWs) bands (ev): -8.4812 -8.4812 -4.8431 -4.8431 -3.5546 -3.5546 1.7402 1.7402 1.7707 1.7733 2.3123 2.3163 4.0308 4.0309 4.8510 4.8540 5.4911 5.4921 5.5976 5.5979 6.6770 6.6775 7.5771 7.5829 7.8885 7.8946 10.3533 10.3534 10.7912 10.7936 10.9857 10.9888 17.1541 17.1541 18.2781 18.2782 18.9851 18.9855 21.4781 21.4782 k = 0.0000 0.0000 0.3702 ( 1498 PWs) bands (ev): -8.4446 -8.4446 -4.9232 -4.9232 -3.5456 -3.5456 1.7657 1.7658 1.8259 1.8287 2.3286 2.3328 3.9979 3.9980 4.8081 4.8110 5.4423 5.4434 5.5518 5.5521 6.8125 6.8129 7.6201 7.6260 7.9097 7.9161 10.2246 10.2247 10.7236 10.7258 10.9103 10.9131 17.1956 17.1957 18.2400 18.2401 19.1664 19.1668 21.6097 21.6098 k = 0.0000 0.0000 0.3814 ( 1498 PWs) bands (ev): -8.4094 -8.4094 -4.9984 -4.9983 -3.5372 -3.5372 1.7901 1.7901 1.8796 1.8826 2.3426 2.3469 3.9674 3.9674 4.7663 4.7692 5.3953 5.3964 5.5084 5.5087 6.9503 6.9506 7.6625 7.6686 7.9302 7.9367 10.0951 10.0952 10.6606 10.6626 10.8382 10.8409 17.2375 17.2375 18.2010 18.2011 19.3475 19.3479 21.7388 21.7389 k = 0.0000 0.0000 0.3927 ( 1498 PWs) bands (ev): -8.3758 -8.3758 -5.0681 -5.0680 -3.5294 -3.5294 1.8129 1.8129 1.9317 1.9348 2.3539 2.3583 3.9393 3.9393 4.7267 4.7294 5.3507 5.3519 5.4680 5.4682 7.0891 7.0893 7.7040 7.7103 7.9494 7.9561 9.9654 9.9655 10.6026 10.6045 10.7701 10.7726 17.2796 17.2796 18.1613 18.1614 19.5278 19.5281 21.8642 21.8643 k = 0.0000 0.0000 0.4039 ( 1498 PWs) bands (ev): -8.3443 -8.3443 -5.1320 -5.1320 -3.5223 -3.5223 1.8341 1.8341 1.9819 1.9851 2.3622 2.3666 3.9138 3.9138 4.6898 4.6923 5.3092 5.3103 5.4307 5.4308 7.2277 7.2278 7.7444 7.7508 7.9668 7.9736 9.8360 9.8360 10.5501 10.5519 10.7061 10.7085 17.3215 17.3215 18.1213 18.1214 19.7064 19.7068 21.9847 21.9847 k = 0.0000 0.0000 0.4151 ( 1502 PWs) bands (ev): -8.3152 -8.3152 -5.1897 -5.1897 -3.5159 -3.5159 1.8534 1.8534 2.0301 2.0335 2.3671 2.3717 3.8910 3.8910 4.6561 4.6584 5.2711 5.2722 5.3969 5.3970 7.3647 7.3648 7.7831 7.7896 7.9819 7.9888 9.7076 9.7077 10.5036 10.5052 10.6470 10.6491 17.3631 17.3631 18.0813 18.0814 19.8824 19.8828 22.0316 22.0329 k = 0.0000 0.0000 0.4263 ( 1502 PWs) bands (ev): -8.2889 -8.2889 -5.2408 -5.2408 -3.5103 -3.5103 1.8706 1.8706 2.0760 2.0795 2.3685 2.3731 3.8710 3.8711 4.6261 4.6283 5.2371 5.2381 5.3669 5.3671 7.4990 7.4991 7.8198 7.8265 7.9942 8.0012 9.5816 9.5817 10.4635 10.4650 10.5930 10.5950 17.4040 17.4040 18.0416 18.0417 20.0545 20.0548 21.9960 21.9970 k = 0.0000 0.0000 0.4375 ( 1502 PWs) bands (ev): -8.2659 -8.2659 -5.2849 -5.2849 -3.5055 -3.5055 1.8855 1.8856 2.1193 2.1230 2.3661 2.3707 3.8540 3.8540 4.6003 4.6021 5.2075 5.2083 5.3411 5.3412 7.6280 7.6281 7.8541 7.8608 8.0033 8.0103 9.4597 9.4598 10.4303 10.4316 10.5449 10.5467 17.4436 17.4436 18.0031 18.0031 20.2207 20.2210 21.9379 21.9387 k = 0.0000 0.0000 0.4488 ( 1502 PWs) bands (ev): -8.2464 -8.2464 -5.3216 -5.3216 -3.5015 -3.5015 1.8980 1.8980 2.1599 2.1637 2.3596 2.3642 3.8399 3.8400 4.5788 4.5803 5.1827 5.1834 5.3196 5.3196 7.7490 7.7491 7.8855 7.8921 8.0089 8.0158 9.3446 9.3447 10.4040 10.4051 10.5033 10.5048 17.4810 17.4810 17.9665 17.9665 20.3780 20.3783 21.8637 21.8643 k = 0.0000 0.0000 0.4600 ( 1502 PWs) bands (ev): -8.2309 -8.2309 -5.3506 -5.3506 -3.4984 -3.4984 1.9079 1.9079 2.1973 2.2013 2.3492 2.3538 3.8290 3.8290 4.5619 4.5631 5.1630 5.1636 5.3026 5.3027 7.8573 7.8576 7.9136 7.9197 8.0109 8.0176 9.2408 9.2409 10.3847 10.3858 10.4688 10.4701 17.5149 17.5149 17.9332 17.9332 20.5216 20.5218 21.7815 21.7819 k = 0.0000 0.0000 0.4712 ( 1502 PWs) bands (ev): -8.2195 -8.2195 -5.3715 -5.3715 -3.4961 -3.4961 1.9150 1.9150 2.2313 2.2353 2.3349 2.3393 3.8211 3.8211 4.5498 4.5506 5.1488 5.1492 5.2904 5.2904 7.9342 7.9414 7.9479 7.9495 8.0099 8.0157 9.1550 9.1550 10.3723 10.3731 10.4426 10.4436 17.5430 17.5430 17.9055 17.9055 20.6431 20.6432 21.7021 21.7023 k = 0.0000 0.0000 0.4824 ( 1506 PWs) bands (ev): -8.2127 -8.2127 -5.3841 -5.3841 -3.4948 -3.4948 1.9193 1.9193 2.2608 2.2647 2.3174 2.3214 3.8163 3.8163 4.5426 4.5430 5.1402 5.1404 5.2830 5.2830 7.9537 7.9583 8.0024 8.0069 8.0121 8.0122 9.0966 9.0966 10.3658 10.3663 10.4258 10.4264 17.5623 17.5623 17.8865 17.8865 20.7285 20.7286 21.6412 21.6413 k = 0.0000 0.0000 0.4936 ( 1510 PWs) bands (ev): -8.2103 -8.2103 -5.3884 -5.3884 -3.4943 -3.4943 1.9208 1.9208 2.2800 2.2800 2.3061 2.3061 3.8147 3.8147 4.5403 4.5403 5.1374 5.1374 5.2805 5.2805 7.9627 7.9627 8.0059 8.0059 8.0302 8.0302 9.0756 9.0756 10.3640 10.3640 10.4202 10.4202 17.5692 17.5692 17.8795 17.8795 20.7601 20.7601 21.6177 21.6177 k = 0.0000 0.0000 0.4936 ( 1510 PWs) bands (ev): -8.2103 -8.2103 -5.3884 -5.3884 -3.4943 -3.4943 1.9208 1.9208 2.2800 2.2800 2.3061 2.3061 3.8147 3.8147 4.5403 4.5403 5.1374 5.1374 5.2805 5.2805 7.9627 7.9627 8.0059 8.0059 8.0302 8.0302 9.0756 9.0756 10.3640 10.3640 10.4202 10.4202 17.5692 17.5692 17.8795 17.8795 20.7601 20.7601 21.6177 21.6177 k = 0.0111-0.0000 0.4936 ( 1504 PWs) bands (ev): -8.2094 -8.2094 -5.3875 -5.3875 -3.4961 -3.4960 1.9068 1.9069 2.2882 2.2885 2.3050 2.3052 3.8066 3.8075 4.5550 4.5556 5.1313 5.1317 5.2918 5.2921 7.9528 7.9576 7.9962 7.9969 8.0310 8.0351 9.0834 9.0837 10.3613 10.3615 10.4208 10.4209 17.5736 17.5737 17.8835 17.8836 20.7564 20.7569 21.6138 21.6139 k = 0.0222-0.0000 0.4936 ( 1504 PWs) bands (ev): -8.2065 -8.2065 -5.3850 -5.3850 -3.5012 -3.5012 1.8682 1.8683 2.3011 2.3011 2.3113 2.3116 3.7852 3.7868 4.5976 4.5988 5.1178 5.1185 5.3217 5.3222 7.9315 7.9387 7.9688 7.9695 8.0353 8.0418 9.1063 9.1069 10.3533 10.3536 10.4228 10.4231 17.5868 17.5871 17.8953 17.8954 20.7458 20.7467 21.6021 21.6023 k = 0.0333-0.0000 0.4936 ( 1504 PWs) bands (ev): -8.2017 -8.2017 -5.3809 -5.3809 -3.5098 -3.5097 1.8112 1.8112 2.2959 2.2961 2.3411 2.3418 3.7553 3.7575 4.6631 4.6647 5.1030 5.1038 5.3639 5.3645 7.9029 7.9114 7.9256 7.9265 8.0385 8.0461 9.1418 9.1427 10.3401 10.3406 10.4263 10.4266 17.6088 17.6092 17.9149 17.9151 20.7285 20.7299 21.5829 21.5832 k = 0.0444-0.0000 0.4936 ( 1504 PWs) bands (ev): -8.1949 -8.1949 -5.3752 -5.3752 -3.5217 -3.5217 1.7406 1.7407 2.2886 2.2890 2.3748 2.3756 3.7218 3.7245 4.7460 4.7478 5.0900 5.0908 5.4150 5.4156 7.8645 7.8689 7.8749 7.8785 8.0383 8.0464 9.1869 9.1881 10.3222 10.3229 10.4312 10.4316 17.6395 17.6399 17.9422 17.9425 20.7051 20.7069 21.5562 21.5565 k = 0.0556-0.0000 0.4936 ( 1504 PWs) bands (ev): -8.1863 -8.1862 -5.3678 -5.3678 -3.5370 -3.5369 1.6597 1.6598 2.2797 2.2801 2.4096 2.4105 3.6884 3.6914 4.8418 4.8438 5.0801 5.0810 5.4733 5.4738 7.8013 7.8024 7.8334 7.8406 8.0336 8.0419 9.2384 9.2399 10.3001 10.3011 10.4375 10.4380 17.6785 17.6791 17.9770 17.9774 20.6761 20.6783 21.5223 21.5227 k = 0.0667-0.0000 0.4936 ( 1504 PWs) bands (ev): -8.1757 -8.1757 -5.3590 -5.3590 -3.5554 -3.5553 1.5704 1.5705 2.2695 2.2700 2.4442 2.4452 3.6575 3.6607 4.9473 4.9494 5.0739 5.0748 5.5378 5.5383 7.7273 7.7280 7.7911 7.7986 8.0240 8.0324 9.2936 9.2954 10.2746 10.2758 10.4453 10.4459 17.7258 17.7265 18.0192 18.0197 20.6420 20.6447 21.4815 21.4820 k = 0.0778-0.0000 0.4936 ( 1508 PWs) bands (ev): -8.1632 -8.1631 -5.3487 -5.3487 -3.5769 -3.5767 1.4739 1.4741 2.2583 2.2589 2.4781 2.4793 3.6306 3.6339 5.0600 5.0619 5.0715 5.0725 5.6078 5.6084 7.6472 7.6477 7.7454 7.7530 8.0092 8.0176 9.3497 9.3517 10.2467 10.2482 10.4547 10.4553 17.7810 17.7818 18.0686 18.0692 20.6036 20.6065 21.4341 21.4347 k = 0.0889-0.0000 0.4936 ( 1508 PWs) bands (ev): -8.1488 -8.1487 -5.3369 -5.3369 -3.6013 -3.6011 1.3715 1.3717 2.2466 2.2473 2.5113 2.5126 3.6083 3.6117 5.0725 5.0734 5.1783 5.1804 5.6831 5.6835 7.5625 7.5630 7.6965 7.7041 7.9892 7.9975 9.4040 9.4064 10.2180 10.2198 10.4656 10.4662 17.8438 17.8447 18.1248 18.1255 20.5615 20.5647 21.3807 21.3814 k = 0.1000-0.0000 0.4936 ( 1504 PWs) bands (ev): -8.1324 -8.1324 -5.3239 -5.3239 -3.6285 -3.6283 1.2639 1.2642 2.2348 2.2356 2.5438 2.5452 3.5909 3.5945 5.0772 5.0781 5.3005 5.3026 5.7629 5.7634 7.4748 7.4752 7.6446 7.6522 7.9640 7.9723 9.4536 9.4563 10.1907 10.1928 10.4780 10.4787 17.9139 17.9149 18.1878 18.1886 20.5164 20.5198 21.3218 21.3225 k = 0.1111-0.0000 0.4936 ( 1500 PWs) bands (ev): -8.1142 -8.1142 -5.3097 -5.3097 -3.6582 -3.6580 1.1520 1.1522 2.2232 2.2241 2.5756 2.5771 3.5786 3.5822 5.0854 5.0862 5.4257 5.4278 5.8470 5.8474 7.3847 7.3851 7.5901 7.5975 7.9338 7.9419 9.4949 9.4980 10.1678 10.1703 10.4920 10.4926 17.9909 17.9920 18.2570 18.2579 20.4687 20.4724 21.2578 21.2586 k = 0.1222-0.0000 0.4936 ( 1500 PWs) bands (ev): -8.0941 -8.0941 -5.2945 -5.2945 -3.6903 -3.6901 1.0363 1.0365 2.2122 2.2131 2.6069 2.6085 3.5712 3.5749 5.0967 5.0975 5.5527 5.5547 5.9347 5.9351 7.2933 7.2937 7.5331 7.5404 7.8986 7.9066 9.5241 9.5275 10.1530 10.1558 10.5075 10.5081 18.0743 18.0756 18.3323 18.3332 20.4191 20.4229 21.1893 21.1902 k = 0.1333-0.0000 0.4936 ( 1500 PWs) bands (ev): -8.0721 -8.0721 -5.2784 -5.2784 -3.7243 -3.7241 0.9175 0.9178 2.2021 2.2031 2.6379 2.6394 3.5685 3.5722 5.1112 5.1120 5.6806 5.6826 6.0255 6.0259 7.2013 7.2016 7.4739 7.4812 7.8588 7.8666 9.5372 9.5408 10.1502 10.1532 10.5244 10.5249 18.1639 18.1652 18.4132 18.4142 20.3680 20.3720 21.1170 21.1179 k = 0.1444-0.0000 0.4936 ( 1512 PWs) bands (ev): -8.0483 -8.0482 -5.2617 -5.2617 -3.7601 -3.7598 0.7962 0.7965 2.1932 2.1942 2.6685 2.6701 3.5702 3.5739 5.1287 5.1294 5.8083 5.8104 6.1189 6.1193 7.1095 7.1097 7.4130 7.4201 7.8145 7.8221 9.5319 9.5354 10.1618 10.1648 10.5426 10.5432 18.2591 18.2605 18.4993 18.5005 20.3158 20.3200 21.0414 21.0423 k = 0.1556-0.0000 0.4936 ( 1508 PWs) bands (ev): -8.0225 -8.0225 -5.2446 -5.2446 -3.7971 -3.7968 0.6729 0.6731 2.1858 2.1868 2.6990 2.7007 3.5762 3.5799 5.1490 5.1496 5.9346 5.9367 6.2141 6.2146 7.0193 7.0195 7.3506 7.3576 7.7662 7.7736 9.5085 9.5118 10.1874 10.1902 10.5623 10.5628 18.3595 18.3610 18.5905 18.5918 20.2632 20.2675 20.9631 20.9641 k = 0.1667-0.0000 0.4936 ( 1512 PWs) bands (ev): -7.9950 -7.9949 -5.2275 -5.2275 -3.8349 -3.8347 0.5479 0.5482 2.1802 2.1812 2.7294 2.7311 3.5861 3.5899 5.1720 5.1726 6.0575 6.0597 6.3104 6.3108 6.9324 6.9324 7.2873 7.2942 7.7141 7.7212 9.4695 9.4726 10.2246 10.2271 10.5831 10.5836 18.4645 18.4662 18.6863 18.6876 20.2105 20.2150 20.8827 20.8837 k = 0.1778-0.0000 0.4936 ( 1516 PWs) bands (ev): -7.9655 -7.9655 -5.2109 -5.2108 -3.8730 -3.8727 0.4218 0.4220 2.1764 2.1775 2.7598 2.7615 3.5998 3.6036 5.1976 5.1982 6.1734 6.1757 6.4064 6.4069 6.8521 6.8522 7.2238 7.2306 7.6588 7.6656 9.4182 9.4209 10.2700 10.2723 10.6051 10.6055 18.5736 18.5754 18.7862 18.7877 20.1583 20.1628 20.8007 20.8018 k = 0.1889-0.0000 0.4936 ( 1510 PWs) bands (ev): -7.9343 -7.9342 -5.1951 -5.1950 -3.9107 -3.9104 0.2948 0.2950 2.1748 2.1759 2.7901 2.7919 3.6170 3.6208 5.2257 5.2263 6.2743 6.2768 6.5003 6.5010 6.7864 6.7867 7.1616 7.1683 7.6009 7.6075 9.3576 9.3600 10.3211 10.3231 10.6283 10.6286 18.6862 18.6882 18.8902 18.8918 20.1071 20.1117 20.7178 20.7188 k = 0.2000-0.0000 0.4936 ( 1518 PWs) bands (ev): -7.9012 -7.9011 -5.1809 -5.1808 -3.9472 -3.9469 0.1672 0.1675 2.1755 2.1765 2.8204 2.8223 3.6375 3.6413 5.2562 5.2568 6.3424 6.3448 6.5889 6.5896 6.7532 6.7536 7.1032 7.1096 7.5413 7.5474 9.2899 9.2920 10.3754 10.3771 10.6523 10.6525 18.8014 18.8036 18.9974 18.9991 20.0574 20.0621 20.6341 20.6352 k = 0.2111-0.0000 0.4936 ( 1518 PWs) bands (ev): -7.8663 -7.8663 -5.1689 -5.1688 -3.9817 -3.9814 0.0394 0.0396 2.1785 2.1796 2.8507 2.8525 3.6611 3.6649 5.2891 5.2896 6.3545 6.3566 6.6650 6.6657 6.7757 6.7759 7.0543 7.0603 7.4812 7.4869 9.2168 9.2187 10.4315 10.4330 10.6771 10.6774 18.9183 18.9207 19.1077 19.1095 20.0103 20.0151 20.5504 20.5516 k = 0.2222-0.0000 0.4936 ( 1522 PWs) bands (ev): -7.8297 -7.8296 -5.1600 -5.1599 -4.0131 -4.0129 -0.0886 -0.0883 2.1839 2.1849 2.8809 2.8827 3.6877 3.6915 5.3243 5.3247 6.3155 6.3172 6.7145 6.7146 6.8485 6.8487 7.0274 7.0320 7.4235 7.4285 9.1396 9.1413 10.4883 10.4897 10.7028 10.7029 19.0355 19.0380 19.2206 19.2226 19.9669 19.9719 20.4671 20.4683 k = 0.2333-0.0000 0.4936 ( 1522 PWs) bands (ev): -7.7912 -7.7912 -5.1551 -5.1550 -4.0404 -4.0402 -0.2163 -0.2161 2.1918 2.1929 2.9108 2.9127 3.7171 3.7209 5.3616 5.3619 6.2507 6.2521 6.7191 6.7206 6.9461 6.9466 7.0335 7.0357 7.3741 7.3779 9.0593 9.0608 10.5450 10.5463 10.7291 10.7292 19.1507 19.1534 19.3358 19.3379 19.9293 19.9344 20.3845 20.3858 k = 0.2444-0.0000 0.4936 ( 1522 PWs) bands (ev): -7.7510 -7.7510 -5.1551 -5.1551 -4.0626 -4.0623 -0.3436 -0.3434 2.2023 2.2034 2.9405 2.9424 3.7492 3.7530 5.4009 5.4013 6.1757 6.1769 6.6844 6.6872 7.0519 7.0522 7.0552 7.0553 7.3469 7.3487 8.9767 8.9780 10.6012 10.6023 10.7559 10.7559 19.2600 19.2630 19.4528 19.4551 19.9011 19.9064 20.3030 20.3044 k = 0.2556-0.0000 0.4936 ( 1510 PWs) bands (ev): -7.7091 -7.7091 -5.1610 -5.1609 -4.0784 -4.0782 -0.4705 -0.4703 2.2155 2.2165 2.9698 2.9717 3.7839 3.7877 5.4423 5.4426 6.0972 6.0982 6.6290 6.6324 7.0477 7.0515 7.1627 7.1635 7.3610 7.3614 8.8923 8.8934 10.6563 10.6574 10.7832 10.7832 19.3569 19.3599 19.5712 19.5737 19.8890 19.8942 20.2231 20.2246 k = 0.2667-0.0000 0.4936 ( 1514 PWs) bands (ev): -7.6655 -7.6654 -5.1735 -5.1734 -4.0871 -4.0869 -0.5966 -0.5965 2.2311 2.2321 2.9984 3.0003 3.8209 3.8247 5.4856 5.4858 6.0180 6.0190 6.5640 6.5677 7.0082 7.0132 7.2718 7.2725 7.4149 7.4163 8.8067 8.8077 10.7101 10.7110 10.8107 10.8108 19.4308 19.4335 19.6902 19.6930 19.9032 19.9079 20.1451 20.1468 k = 0.2778-0.0000 0.4936 ( 1518 PWs) bands (ev): -7.6202 -7.6201 -5.1931 -5.1930 -4.0880 -4.0878 -0.7220 -0.7218 2.2492 2.2502 3.0262 3.0281 3.8603 3.8641 5.5306 5.5308 5.9399 5.9408 6.4945 6.4984 6.9487 6.9540 7.3784 7.3791 7.4915 7.4931 8.7207 8.7215 10.7622 10.7631 10.8385 10.8386 19.4726 19.4743 19.8086 19.8120 19.9527 19.9564 20.0701 20.0723 k = 0.2889-0.0000 0.4936 ( 1518 PWs) bands (ev): -7.5732 -7.5732 -5.2199 -5.2197 -4.0809 -4.0807 -0.8465 -0.8463 2.2698 2.2708 3.0530 3.0548 3.9019 3.9057 5.5772 5.5773 5.8638 5.8647 6.4227 6.4266 6.8797 6.8850 7.4813 7.4820 7.5773 7.5790 8.6349 8.6356 10.8125 10.8133 10.8665 10.8666 19.4839 19.4845 19.9178 19.9233 20.0052 20.0093 20.0353 20.0379 k = 0.3000-0.0000 0.4936 ( 1518 PWs) bands (ev): -7.5246 -7.5245 -5.2537 -5.2535 -4.0657 -4.0655 -0.9699 -0.9697 2.2928 2.2938 3.0785 3.0802 3.9457 3.9494 5.6251 5.6251 5.7906 5.7916 6.3499 6.3537 6.8060 6.8110 7.5791 7.5798 7.6665 7.6681 8.5503 8.5508 10.8608 10.8615 10.8944 10.8946 19.4749 19.4751 19.9128 19.9141 20.0631 20.0631 20.1396 20.1412 k = 0.3111-0.0000 0.4936 ( 1514 PWs) bands (ev): -7.4744 -7.4743 -5.2940 -5.2938 -4.0428 -4.0427 -1.0921 -1.0920 2.3183 2.3192 3.1023 3.1040 3.9914 3.9951 5.6738 5.6739 5.7210 5.7219 6.2770 6.2808 6.7296 6.7345 7.6701 7.6706 7.7561 7.7577 8.4685 8.4686 10.9069 10.9075 10.9224 10.9225 19.4551 19.4558 19.8485 19.8486 20.1781 20.1795 20.2556 20.2565 k = 0.3222-0.0000 0.4936 ( 1514 PWs) bands (ev): -7.4226 -7.4225 -5.3402 -5.3400 -4.0127 -4.0126 -1.2132 -1.2130 2.3459 2.3469 3.1241 3.1257 4.0392 4.0428 5.6555 5.6564 5.7225 5.7227 6.2052 6.2089 6.6520 6.6566 7.7514 7.7517 7.8445 7.8460 8.3918 8.3919 10.9498 10.9503 10.9507 10.9515 19.4304 19.4316 19.7833 19.7837 20.2953 20.2973 20.3772 20.3777 k = 0.3333-0.0000 0.4936 ( 1514 PWs) bands (ev): -7.3693 -7.3692 -5.3915 -5.3913 -3.9760 -3.9759 -1.3329 -1.3327 2.3758 2.3767 3.1435 3.1451 4.0887 4.0924 5.5947 5.5956 5.7693 5.7696 6.1364 6.1400 6.5739 6.5783 7.8177 7.8178 7.9307 7.9322 8.3254 8.3260 10.9775 10.9777 10.9919 10.9925 19.4040 19.4054 19.7207 19.7212 20.4117 20.4139 20.5009 20.5010 k = 0.3444-0.0000 0.4936 ( 1514 PWs) bands (ev): -7.3144 -7.3143 -5.4473 -5.4471 -3.9334 -3.9333 -1.4512 -1.4511 2.4077 2.4086 3.1602 3.1617 4.1401 4.1437 5.5391 5.5401 5.8093 5.8098 6.0753 6.0788 6.4962 6.5004 7.8589 7.8595 8.0140 8.0155 8.2789 8.2800 11.0045 11.0048 11.0306 11.0311 19.3774 19.3789 19.6611 19.6617 20.5263 20.5286 20.6242 20.6243 k = 0.3556-0.0000 0.4936 ( 1514 PWs) bands (ev): -7.2581 -7.2580 -5.5068 -5.5066 -3.8853 -3.8852 -1.5681 -1.5680 2.4416 2.4425 3.1738 3.1752 4.1931 4.1966 5.4894 5.4904 5.8301 5.8303 6.0344 6.0375 6.4199 6.4238 7.8636 7.8646 8.0937 8.0952 8.2641 8.2657 11.0310 11.0313 11.0665 11.0670 19.3515 19.3531 19.6048 19.6055 20.6382 20.6406 20.7455 20.7458 k = 0.3667-0.0000 0.4936 ( 1524 PWs) bands (ev): -7.2003 -7.2002 -5.5694 -5.5692 -3.8324 -3.8323 -1.6835 -1.6834 2.4773 2.4781 3.1838 3.1850 4.2477 4.2511 5.4460 5.4470 5.8123 5.8128 6.0311 6.0332 6.3470 6.3506 7.8305 7.8316 8.1694 8.1708 8.2825 8.2844 11.0568 11.0571 11.0996 11.1000 19.3269 19.3285 19.5520 19.5527 20.7470 20.7495 20.8635 20.8639 k = 0.3778-0.0000 0.4936 ( 1520 PWs) bands (ev): -7.1412 -7.1410 -5.6344 -5.6342 -3.7750 -3.7750 -1.7973 -1.7972 2.5146 2.5154 3.1898 3.1910 4.3038 4.3072 5.4095 5.4105 5.7621 5.7632 6.0545 6.0555 6.2826 6.2857 7.7718 7.7729 8.2407 8.2421 8.3216 8.3235 11.0818 11.0821 11.1298 11.1302 19.3040 19.3057 19.5028 19.5036 20.8521 20.8546 20.9768 20.9774 k = 0.3889-0.0000 0.4936 ( 1520 PWs) bands (ev): -7.0806 -7.0805 -5.7015 -5.7013 -3.7136 -3.7135 -1.9094 -1.9093 2.5534 2.5542 3.1916 3.1926 4.3613 4.3646 5.3802 5.3813 5.6983 5.6995 6.0700 6.0703 6.2433 6.2452 7.6996 7.7007 8.3071 8.3086 8.3690 8.3708 11.1059 11.1062 11.1571 11.1574 19.2831 19.2847 19.4573 19.4581 20.9528 20.9553 21.0843 21.0850 k = 0.4000-0.0000 0.4936 ( 1520 PWs) bands (ev): -7.0188 -7.0187 -5.7703 -5.7701 -3.6485 -3.6484 -2.0199 -2.0198 2.5936 2.5943 3.1889 3.1898 4.4202 4.4234 5.3586 5.3596 5.6295 5.6307 6.0436 6.0452 6.2534 6.2540 7.6208 7.6217 8.3684 8.3698 8.4179 8.4197 11.1289 11.1292 11.1813 11.1816 19.2642 19.2658 19.4155 19.4164 21.0484 21.0510 21.1847 21.1854 k = 0.4111-0.0000 0.4936 ( 1516 PWs) bands (ev): -6.9557 -6.9556 -5.8402 -5.8400 -3.5799 -3.5798 -2.1285 -2.1284 2.6349 2.6356 3.1816 3.1823 4.4803 4.4834 5.3448 5.3458 5.5588 5.5598 5.9876 5.9896 6.2990 6.2992 7.5386 7.5394 8.4243 8.4257 8.4648 8.4665 11.1507 11.1509 11.2024 11.2026 19.2476 19.2491 19.3776 19.3785 21.1383 21.1409 21.2765 21.2774 k = 0.4222-0.0000 0.4936 ( 1512 PWs) bands (ev): -6.8914 -6.8913 -5.9110 -5.9109 -3.5081 -3.5080 -2.2354 -2.2353 2.6770 2.6777 3.1695 3.1701 4.5416 4.5445 5.3391 5.3400 5.4875 5.4884 5.9227 5.9246 6.3584 6.3585 7.4547 7.4555 8.4744 8.4758 8.5079 8.5096 11.1711 11.1713 11.2204 11.2206 19.2333 19.2348 19.3435 19.3444 21.2219 21.2244 21.3585 21.3594 k = 0.4333-0.0000 0.4936 ( 1508 PWs) bands (ev): -6.8260 -6.8259 -5.9826 -5.9824 -3.4332 -3.4331 -2.3403 -2.3402 2.7198 2.7204 3.1528 3.1533 4.6039 4.6066 5.3412 5.3421 5.4161 5.4168 5.8560 5.8578 6.4241 6.4241 7.3702 7.3709 8.5186 8.5200 8.5462 8.5478 11.1899 11.1901 11.2352 11.2354 19.2215 19.2230 19.3132 19.3141 21.2984 21.3008 21.4293 21.4302 k = 0.4444-0.0000 0.4936 ( 1508 PWs) bands (ev): -6.7595 -6.7594 -6.0545 -6.0543 -3.3554 -3.3554 -2.4434 -2.4433 2.7629 2.7634 3.1317 3.1321 4.6673 4.6698 5.3449 5.3449 5.3513 5.3525 5.7902 5.7918 6.4935 6.4935 7.2857 7.2863 8.5566 8.5580 8.5789 8.5805 11.2070 11.2071 11.2470 11.2471 19.2123 19.2137 19.2867 19.2876 21.3669 21.3693 21.4871 21.4881 k = 0.4556-0.0000 0.4936 ( 1506 PWs) bands (ev): -6.6920 -6.6919 -6.1266 -6.1264 -3.2750 -3.2749 -2.5445 -2.5444 2.8060 2.8065 3.1065 3.1067 4.7316 4.7339 5.2745 5.2745 5.3688 5.3695 5.7265 5.7278 6.5656 6.5657 7.2015 7.2020 8.5883 8.5897 8.6058 8.6074 11.2221 11.2222 11.2556 11.2557 19.2057 19.2070 19.2639 19.2649 21.4269 21.4291 21.5311 21.5321 k = 0.4667-0.0000 0.4936 ( 1506 PWs) bands (ev): -6.6236 -6.6234 -6.1987 -6.1985 -3.1919 -3.1918 -2.6435 -2.6434 2.8489 2.8493 3.0774 3.0775 4.7967 4.7988 5.2042 5.2045 5.3936 5.3941 5.6657 5.6667 6.6399 6.6400 7.1180 7.1184 8.6136 8.6150 8.6265 8.6280 11.2351 11.2353 11.2611 11.2612 19.2019 19.2032 19.2448 19.2458 21.4776 21.4797 21.5604 21.5615 k = 0.4778-0.0000 0.4936 ( 1504 PWs) bands (ev): -6.5543 -6.5541 -6.2707 -6.2705 -3.1063 -3.1062 -2.7405 -2.7404 2.8911 2.8915 3.0451 3.0451 4.8628 4.8646 5.1345 5.1351 5.4251 5.4255 5.6084 5.6091 6.7161 6.7162 7.0353 7.0357 8.6322 8.6337 8.6408 8.6423 11.2459 11.2460 11.2637 11.2637 19.2011 19.2023 19.2293 19.2303 21.5185 21.5204 21.5758 21.5769 k = 0.4889-0.0000 0.4936 ( 1508 PWs) bands (ev): -6.4843 -6.4841 -6.3424 -6.3422 -3.0183 -3.0182 -2.8353 -2.8352 2.9323 2.9325 3.0097 3.0098 4.9296 4.9311 5.0654 5.0663 5.4630 5.4631 5.5551 5.5555 6.7938 6.7940 6.9536 6.9539 8.6443 8.6458 8.6486 8.6501 11.2543 11.2544 11.2633 11.2634 19.2033 19.2045 19.2172 19.2183 21.5492 21.5508 21.5783 21.5796 k = 0.5000-0.0000 0.4936 ( 1508 PWs) bands (ev): -6.4136 -6.4136 -6.4134 -6.4134 -2.9279 -2.9279 -2.9279 -2.9279 2.9720 2.9720 2.9721 2.9721 4.9972 4.9972 4.9983 4.9983 5.5065 5.5065 5.5066 5.5066 6.8730 6.8730 6.8733 6.8733 8.6498 8.6498 8.6512 8.6512 11.2602 11.2602 11.2602 11.2602 19.2086 19.2086 19.2098 19.2098 21.5692 21.5692 21.5707 21.5707 k = 0.5000-0.0000 0.4936 ( 1508 PWs) bands (ev): -6.4136 -6.4136 -6.4134 -6.4134 -2.9279 -2.9279 -2.9279 -2.9279 2.9720 2.9720 2.9721 2.9721 4.9972 4.9972 4.9983 4.9983 5.5065 5.5065 5.5066 5.5066 6.8730 6.8730 6.8733 6.8733 8.6498 8.6498 8.6512 8.6512 11.2602 11.2602 11.2602 11.2602 19.2086 19.2086 19.2098 19.2098 21.5692 21.5692 21.5707 21.5707 k = 0.5000 0.0111 0.4936 ( 1504 PWs) bands (ev): -6.4130 -6.4130 -6.4128 -6.4128 -2.9271 -2.9271 -2.9270 -2.9270 2.9622 2.9622 2.9624 2.9624 5.0017 5.0017 5.0032 5.0032 5.4972 5.4972 5.4981 5.4981 6.8876 6.8876 6.8878 6.8878 8.6504 8.6504 8.6519 8.6519 11.2607 11.2607 11.2608 11.2608 19.2087 19.2087 19.2099 19.2099 21.5676 21.5676 21.5691 21.5691 k = 0.5000 0.0222 0.4936 ( 1508 PWs) bands (ev): -6.4111 -6.4111 -6.4109 -6.4109 -2.9247 -2.9247 -2.9246 -2.9246 2.9334 2.9334 2.9336 2.9336 5.0124 5.0124 5.0147 5.0147 5.4740 5.4740 5.4758 5.4758 6.9295 6.9295 6.9297 6.9297 8.6524 8.6524 8.6539 8.6539 11.2624 11.2624 11.2626 11.2626 19.2090 19.2090 19.2101 19.2101 21.5627 21.5627 21.5642 21.5642 k = 0.5000 0.0333 0.4936 ( 1512 PWs) bands (ev): -6.4080 -6.4080 -6.4079 -6.4079 -2.9206 -2.9206 -2.9205 -2.9205 2.8872 2.8872 2.8875 2.8875 5.0199 5.0199 5.0232 5.0232 5.4491 5.4491 5.4519 5.4519 6.9944 6.9944 6.9946 6.9946 8.6558 8.6558 8.6574 8.6574 11.2653 11.2653 11.2655 11.2655 19.2095 19.2095 19.2106 19.2106 21.5546 21.5546 21.5561 21.5561 k = 0.5000 0.0444 0.4936 ( 1512 PWs) bands (ev): -6.4037 -6.4037 -6.4035 -6.4035 -2.9149 -2.9149 -2.9148 -2.9148 2.8259 2.8259 2.8263 2.8263 5.0086 5.0086 5.0126 5.0126 5.4414 5.4414 5.4449 5.4449 7.0772 7.0772 7.0774 7.0774 8.6607 8.6607 8.6623 8.6623 11.2693 11.2693 11.2697 11.2697 19.2101 19.2101 19.2112 19.2112 21.5431 21.5431 21.5446 21.5446 k = 0.5000 0.0555 0.4936 ( 1508 PWs) bands (ev): -6.3982 -6.3982 -6.3980 -6.3980 -2.9075 -2.9075 -2.9075 -2.9075 2.7521 2.7521 2.7525 2.7525 4.9659 4.9659 4.9698 4.9698 5.4662 5.4662 5.4697 5.4697 7.1729 7.1729 7.1731 7.1731 8.6672 8.6672 8.6688 8.6688 11.2745 11.2745 11.2750 11.2750 19.2109 19.2109 19.2120 19.2120 21.5282 21.5282 21.5298 21.5298 k = 0.5000 0.0667 0.4936 ( 1508 PWs) bands (ev): -6.3915 -6.3915 -6.3913 -6.3913 -2.8986 -2.8986 -2.8985 -2.8985 2.6682 2.6682 2.6686 2.6686 4.8929 4.8929 4.8965 4.8965 5.5231 5.5231 5.5261 5.5261 7.2776 7.2776 7.2778 7.2778 8.6754 8.6754 8.6770 8.6770 11.2809 11.2809 11.2815 11.2815 19.2118 19.2118 19.2129 19.2129 21.5099 21.5099 21.5115 21.5115 k = 0.5000 0.0778 0.4936 ( 1512 PWs) bands (ev): -6.3835 -6.3835 -6.3834 -6.3834 -2.8881 -2.8881 -2.8880 -2.8880 2.5763 2.5763 2.5767 2.5767 4.7991 4.7991 4.8022 4.8022 5.6031 5.6031 5.6056 5.6056 7.3882 7.3882 7.3883 7.3883 8.6856 8.6856 8.6873 8.6873 11.2885 11.2885 11.2892 11.2892 19.2127 19.2127 19.2138 19.2138 21.4882 21.4882 21.4897 21.4897 k = 0.5000 0.0889 0.4936 ( 1524 PWs) bands (ev): -6.3745 -6.3745 -6.3743 -6.3743 -2.8761 -2.8761 -2.8760 -2.8760 2.4782 2.4782 2.4786 2.4786 4.6923 4.6923 4.6950 4.6950 5.6983 5.6983 5.7002 5.7002 7.5021 7.5021 7.5022 7.5022 8.6981 8.6981 8.6999 8.6999 11.2974 11.2974 11.2981 11.2981 19.2135 19.2135 19.2146 19.2146 21.4630 21.4630 21.4646 21.4646 k = 0.5000 0.1000 0.4936 ( 1524 PWs) bands (ev): -6.3643 -6.3643 -6.3641 -6.3641 -2.8624 -2.8624 -2.8623 -2.8623 2.3757 2.3757 2.3761 2.3761 4.5776 4.5776 4.5799 4.5799 5.8037 5.8037 5.8053 5.8053 7.6174 7.6174 7.6175 7.6175 8.7133 8.7133 8.7153 8.7153 11.3074 11.3074 11.3082 11.3082 19.2144 19.2144 19.2154 19.2154 21.4347 21.4347 21.4362 21.4362 k = 0.5000 0.1111 0.4936 ( 1524 PWs) bands (ev): -6.3530 -6.3530 -6.3528 -6.3528 -2.8473 -2.8473 -2.8472 -2.8472 2.2699 2.2699 2.2702 2.2702 4.4577 4.4577 4.4599 4.4599 5.9162 5.9162 5.9175 5.9175 7.7322 7.7322 7.7324 7.7324 8.7319 8.7319 8.7340 8.7340 11.3187 11.3187 11.3196 11.3196 19.2151 19.2151 19.2162 19.2162 21.4032 21.4032 21.4047 21.4047 k = 0.5000 0.1222 0.4936 ( 1524 PWs) bands (ev): -6.3406 -6.3406 -6.3404 -6.3404 -2.8307 -2.8307 -2.8306 -2.8306 2.1618 2.1618 2.1621 2.1621 4.3347 4.3347 4.3367 4.3367 6.0336 6.0336 6.0346 6.0346 7.8449 7.8449 7.8451 7.8451 8.7546 8.7546 8.7568 8.7568 11.3313 11.3313 11.3323 11.3323 19.2157 19.2157 19.2167 19.2167 21.3687 21.3687 21.3702 21.3702 k = 0.5000 0.1333 0.4936 ( 1524 PWs) bands (ev): -6.3272 -6.3272 -6.3270 -6.3270 -2.8126 -2.8126 -2.8125 -2.8125 2.0523 2.0523 2.0526 2.0526 4.2098 4.2098 4.2116 4.2116 6.1544 6.1544 6.1553 6.1553 7.9536 7.9536 7.9538 7.9538 8.7825 8.7825 8.7848 8.7848 11.3452 11.3452 11.3463 11.3463 19.2159 19.2159 19.2169 19.2169 21.3315 21.3315 21.3329 21.3329 k = 0.5000 0.1444 0.4936 ( 1524 PWs) bands (ev): -6.3128 -6.3128 -6.3126 -6.3126 -2.7931 -2.7931 -2.7930 -2.7930 1.9420 1.9420 1.9424 1.9424 4.0838 4.0838 4.0854 4.0854 6.2775 6.2775 6.2782 6.2782 8.0565 8.0565 8.0568 8.0568 8.8168 8.8168 8.8193 8.8193 11.3604 11.3604 11.3617 11.3617 19.2158 19.2158 19.2167 19.2167 21.2918 21.2918 21.2931 21.2931 k = 0.5000 0.1555 0.4936 ( 1520 PWs) bands (ev): -6.2974 -6.2974 -6.2972 -6.2972 -2.7723 -2.7723 -2.7722 -2.7722 1.8317 1.8317 1.8320 1.8320 3.9573 3.9573 3.9589 3.9589 6.4020 6.4020 6.4027 6.4027 8.1516 8.1516 8.1521 8.1521 8.8590 8.8590 8.8615 8.8615 11.3770 11.3770 11.3784 11.3784 19.2152 19.2152 19.2161 19.2161 21.2498 21.2498 21.2510 21.2510 k = 0.5000 0.1666 0.4936 ( 1520 PWs) bands (ev): -6.2811 -6.2811 -6.2810 -6.2810 -2.7501 -2.7501 -2.7500 -2.7500 1.7216 1.7216 1.7220 1.7220 3.8310 3.8310 3.8325 3.8325 6.5271 6.5271 6.5277 6.5277 8.2374 8.2374 8.2379 8.2379 8.9102 8.9102 8.9129 8.9129 11.3950 11.3950 11.3965 11.3965 19.2141 19.2141 19.2149 19.2149 21.2057 21.2057 21.2069 21.2069 k = 0.5000 0.1777 0.4936 ( 1516 PWs) bands (ev): -6.2640 -6.2640 -6.2638 -6.2638 -2.7267 -2.7267 -2.7266 -2.7266 1.6124 1.6124 1.6127 1.6127 3.7051 3.7051 3.7065 3.7065 6.6521 6.6521 6.6527 6.6527 8.3125 8.3125 8.3132 8.3132 8.9714 8.9714 8.9741 8.9741 11.4144 11.4144 11.4160 11.4160 19.2122 19.2122 19.2130 19.2130 21.1600 21.1600 21.1611 21.1611 k = 0.5000 0.1888 0.4936 ( 1516 PWs) bands (ev): -6.2461 -6.2461 -6.2459 -6.2459 -2.7021 -2.7021 -2.7020 -2.7020 1.5043 1.5043 1.5047 1.5047 3.5800 3.5800 3.5814 3.5814 6.7764 6.7764 6.7770 6.7770 8.3769 8.3769 8.3778 8.3778 9.0421 9.0421 9.0448 9.0448 11.4352 11.4352 11.4370 11.4370 19.2096 19.2096 19.2103 19.2103 21.1128 21.1128 21.1139 21.1139 k = 0.5000 0.2000 0.4936 ( 1520 PWs) bands (ev): -6.2275 -6.2275 -6.2273 -6.2273 -2.6764 -2.6764 -2.6762 -2.6762 1.3977 1.3977 1.3980 1.3980 3.4560 3.4560 3.4573 3.4573 6.8994 6.8994 6.9002 6.9002 8.4316 8.4316 8.4327 8.4327 9.1213 9.1213 9.1240 9.1240 11.4576 11.4576 11.4594 11.4594 19.2060 19.2060 19.2067 19.2067 21.0644 21.0644 21.0654 21.0654 k = 0.5000 0.2111 0.4936 ( 1516 PWs) bands (ev): -6.2082 -6.2082 -6.2080 -6.2080 -2.6496 -2.6496 -2.6494 -2.6494 1.2929 1.2929 1.2932 1.2932 3.3334 3.3334 3.3347 3.3347 7.0206 7.0206 7.0215 7.0215 8.4781 8.4781 8.4795 8.4795 9.2071 9.2071 9.2097 9.2097 11.4814 11.4814 11.4834 11.4834 19.2015 19.2015 19.2021 19.2021 21.0152 21.0152 21.0163 21.0163 k = 0.5000 0.2222 0.4936 ( 1516 PWs) bands (ev): -6.1883 -6.1883 -6.1881 -6.1881 -2.6218 -2.6218 -2.6216 -2.6216 1.1901 1.1901 1.1904 1.1904 3.2122 3.2122 3.2135 3.2135 7.1395 7.1395 7.1406 7.1406 8.5185 8.5185 8.5202 8.5202 9.2972 9.2972 9.2997 9.2997 11.5068 11.5068 11.5089 11.5089 19.1958 19.1958 19.1963 19.1963 20.9655 20.9655 20.9666 20.9666 k = 0.5000 0.2333 0.4936 ( 1520 PWs) bands (ev): -6.1679 -6.1679 -6.1677 -6.1677 -2.5932 -2.5932 -2.5930 -2.5930 1.0896 1.0896 1.0899 1.0899 3.0929 3.0929 3.0941 3.0941 7.2554 7.2554 7.2567 7.2567 8.5544 8.5544 8.5565 8.5565 9.3897 9.3897 9.3922 9.3922 11.5337 11.5337 11.5360 11.5360 19.1889 19.1889 19.1893 19.1893 20.9155 20.9155 20.9168 20.9168 k = 0.5000 0.2444 0.4936 ( 1520 PWs) bands (ev): -6.1470 -6.1470 -6.1468 -6.1468 -2.5638 -2.5638 -2.5636 -2.5636 0.9917 0.9917 0.9920 0.9920 2.9755 2.9755 2.9767 2.9767 7.3678 7.3678 7.3694 7.3694 8.5875 8.5875 8.5900 8.5900 9.4829 9.4829 9.4854 9.4854 11.5622 11.5622 11.5646 11.5646 19.1806 19.1806 19.1810 19.1810 20.8657 20.8657 20.8671 20.8671 k = 0.5000 0.2555 0.4936 ( 1516 PWs) bands (ev): -6.1258 -6.1258 -6.1257 -6.1257 -2.5337 -2.5337 -2.5335 -2.5335 0.8965 0.8965 0.8968 0.8968 2.8602 2.8602 2.8614 2.8614 7.4762 7.4762 7.4780 7.4780 8.6191 8.6191 8.6220 8.6220 9.5756 9.5756 9.5780 9.5780 11.5922 11.5922 11.5947 11.5947 19.1710 19.1710 19.1713 19.1713 20.8164 20.8164 20.8179 20.8179 k = 0.5000 0.2666 0.4936 ( 1516 PWs) bands (ev): -6.1044 -6.1044 -6.1042 -6.1042 -2.5031 -2.5031 -2.5029 -2.5029 0.8044 0.8044 0.8046 0.8046 2.7473 2.7473 2.7485 2.7485 7.5798 7.5798 7.5820 7.5820 8.6501 8.6501 8.6534 8.6534 9.6667 9.6667 9.6691 9.6691 11.6237 11.6237 11.6263 11.6263 19.1598 19.1598 19.1602 19.1602 20.7677 20.7677 20.7695 20.7695 k = 0.5000 0.2777 0.4936 ( 1512 PWs) bands (ev): -6.0828 -6.0828 -6.0827 -6.0827 -2.4721 -2.4721 -2.4718 -2.4718 0.7154 0.7154 0.7156 0.7156 2.6369 2.6369 2.6381 2.6381 7.6782 7.6782 7.6807 7.6807 8.6814 8.6814 8.6852 8.6852 9.7553 9.7553 9.7577 9.7577 11.6566 11.6566 11.6593 11.6593 19.1472 19.1472 19.1475 19.1475 20.7202 20.7202 20.7221 20.7221 k = 0.5000 0.2888 0.4936 ( 1512 PWs) bands (ev): -6.0612 -6.0612 -6.0610 -6.0610 -2.4408 -2.4408 -2.4406 -2.4406 0.6298 0.6298 0.6300 0.6300 2.5292 2.5292 2.5304 2.5304 7.7706 7.7706 7.7735 7.7735 8.7138 8.7138 8.7181 8.7181 9.8409 9.8409 9.8433 9.8433 11.6907 11.6907 11.6936 11.6936 19.1330 19.1330 19.1334 19.1334 20.6739 20.6739 20.6761 20.6761 k = 0.5000 0.2999 0.4936 ( 1516 PWs) bands (ev): -6.0396 -6.0396 -6.0395 -6.0395 -2.4094 -2.4094 -2.4092 -2.4092 0.5478 0.5478 0.5481 0.5481 2.4245 2.4245 2.4256 2.4256 7.8564 7.8564 7.8597 7.8597 8.7478 8.7478 8.7525 8.7525 9.9230 9.9230 9.9253 9.9253 11.7260 11.7260 11.7290 11.7290 19.1173 19.1173 19.1177 19.1177 20.6292 20.6292 20.6316 20.6316 k = 0.5000 0.3110 0.4936 ( 1512 PWs) bands (ev): -6.0182 -6.0182 -6.0181 -6.0181 -2.3781 -2.3781 -2.3779 -2.3779 0.4696 0.4696 0.4699 0.4699 2.3229 2.3229 2.3240 2.3240 7.9352 7.9352 7.9389 7.9389 8.7838 8.7838 8.7890 8.7890 10.0012 10.0012 10.0034 10.0034 11.7622 11.7622 11.7653 11.7653 19.1002 19.1002 19.1007 19.1007 20.5865 20.5865 20.5890 20.5890 k = 0.5000 0.3221 0.4936 ( 1508 PWs) bands (ev): -5.9971 -5.9971 -5.9969 -5.9969 -2.3470 -2.3470 -2.3468 -2.3468 0.3954 0.3954 0.3956 0.3956 2.2246 2.2246 2.2257 2.2257 8.0066 8.0066 8.0106 8.0106 8.8221 8.8221 8.8278 8.8278 10.0752 10.0752 10.0774 10.0774 11.7991 11.7991 11.8024 11.8024 19.0819 19.0819 19.0824 19.0824 20.5457 20.5457 20.5485 20.5485 k = 0.5000 0.3333 0.4936 ( 1512 PWs) bands (ev): -5.9764 -5.9764 -5.9763 -5.9763 -2.3164 -2.3164 -2.3162 -2.3162 0.3253 0.3253 0.3255 0.3255 2.1299 2.1299 2.1311 2.1311 8.0704 8.0704 8.0747 8.0747 8.8626 8.8626 8.8687 8.8687 10.1448 10.1448 10.1470 10.1470 11.8365 11.8365 11.8398 11.8398 19.0623 19.0623 19.0630 19.0630 20.5072 20.5072 20.5101 20.5101 k = 0.5000 0.3444 0.4936 ( 1516 PWs) bands (ev): -5.9563 -5.9563 -5.9561 -5.9561 -2.2865 -2.2865 -2.2862 -2.2862 0.2595 0.2595 0.2597 0.2597 2.0391 2.0391 2.0403 2.0403 8.1266 8.1266 8.1312 8.1312 8.9051 8.9051 8.9116 8.9116 10.2100 10.2100 10.2122 10.2122 11.8740 11.8740 11.8774 11.8774 19.0419 19.0419 19.0426 19.0426 20.4710 20.4710 20.4741 20.4741 k = 0.5000 0.3555 0.4936 ( 1520 PWs) bands (ev): -5.9368 -5.9368 -5.9366 -5.9366 -2.2574 -2.2574 -2.2571 -2.2571 0.1982 0.1982 0.1984 0.1984 1.9524 1.9524 1.9535 1.9535 8.1757 8.1757 8.1804 8.1804 8.9492 8.9492 8.9559 8.9559 10.2706 10.2706 10.2727 10.2727 11.9113 11.9113 11.9147 11.9147 19.0208 19.0208 19.0216 19.0216 20.4372 20.4372 20.4405 20.4405 k = 0.5000 0.3666 0.4936 ( 1520 PWs) bands (ev): -5.9181 -5.9181 -5.9179 -5.9179 -2.2293 -2.2293 -2.2290 -2.2290 0.1414 0.1414 0.1416 0.1416 1.8701 1.8701 1.8713 1.8713 8.2180 8.2180 8.2229 8.2229 8.9940 8.9940 9.0010 9.0010 10.3267 10.3267 10.3287 10.3287 11.9479 11.9479 11.9515 11.9515 18.9993 18.9993 19.0002 19.0002 20.4061 20.4061 20.4096 20.4096 k = 0.5000 0.3777 0.4936 ( 1520 PWs) bands (ev): -5.9003 -5.9003 -5.9001 -5.9001 -2.2026 -2.2026 -2.2023 -2.2023 0.0893 0.0893 0.0895 0.0895 1.7925 1.7925 1.7936 1.7936 8.2543 8.2543 8.2593 8.2593 9.0387 9.0387 9.0459 9.0459 10.3782 10.3782 10.3801 10.3801 11.9836 11.9836 11.9872 11.9872 18.9777 18.9777 18.9787 18.9787 20.3775 20.3775 20.3812 20.3812 k = 0.5000 0.3888 0.4936 ( 1524 PWs) bands (ev): -5.8835 -5.8835 -5.8833 -5.8833 -2.1774 -2.1774 -2.1771 -2.1771 0.0419 0.0419 0.0421 0.0421 1.7199 1.7199 1.7211 1.7211 8.2851 8.2851 8.2901 8.2901 9.0826 9.0826 9.0899 9.0899 10.4251 10.4251 10.4270 10.4270 12.0179 12.0179 12.0215 12.0215 18.9565 18.9565 18.9575 18.9575 20.3515 20.3515 20.3553 20.3553 k = 0.5000 0.3999 0.4936 ( 1528 PWs) bands (ev): -5.8679 -5.8679 -5.8677 -5.8677 -2.1538 -2.1538 -2.1535 -2.1535 -0.0006 -0.0006 -0.0004 -0.0004 1.6527 1.6527 1.6539 1.6539 8.3111 8.3111 8.3162 8.3162 9.1246 9.1246 9.1320 9.1320 10.4675 10.4675 10.4693 10.4693 12.0503 12.0503 12.0539 12.0539 18.9358 18.9358 18.9369 18.9369 20.3282 20.3282 20.3321 20.3321 k = 0.5000 0.4110 0.4936 ( 1524 PWs) bands (ev): -5.8536 -5.8536 -5.8534 -5.8534 -2.1322 -2.1322 -2.1319 -2.1319 -0.0384 -0.0384 -0.0382 -0.0382 1.5912 1.5912 1.5924 1.5924 8.3330 8.3330 8.3380 8.3380 9.1641 9.1641 9.1716 9.1716 10.5054 10.5054 10.5071 10.5071 12.0805 12.0805 12.0842 12.0842 18.9162 18.9162 18.9174 18.9174 20.3074 20.3074 20.3114 20.3114 k = 0.5000 0.4221 0.4936 ( 1524 PWs) bands (ev): -5.8406 -5.8406 -5.8405 -5.8405 -2.1127 -2.1127 -2.1124 -2.1124 -0.0714 -0.0714 -0.0712 -0.0712 1.5359 1.5359 1.5370 1.5370 8.3513 8.3513 8.3562 8.3562 9.2004 9.2004 9.2079 9.2079 10.5388 10.5388 10.5405 10.5405 12.1082 12.1082 12.1119 12.1119 18.8979 18.8979 18.8991 18.8991 20.2892 20.2892 20.2933 20.2933 k = 0.5000 0.4332 0.4936 ( 1524 PWs) bands (ev): -5.8292 -5.8292 -5.8290 -5.8290 -2.0955 -2.0955 -2.0952 -2.0952 -0.0997 -0.0997 -0.0995 -0.0995 1.4869 1.4869 1.4881 1.4881 8.3663 8.3663 8.3712 8.3712 9.2328 9.2328 9.2404 9.2404 10.5677 10.5677 10.5693 10.5693 12.1329 12.1329 12.1366 12.1366 18.8813 18.8813 18.8825 18.8825 20.2735 20.2735 20.2777 20.2777 k = 0.5000 0.4443 0.4936 ( 1524 PWs) bands (ev): -5.8193 -5.8193 -5.8192 -5.8192 -2.0807 -2.0807 -2.0803 -2.0803 -0.1233 -0.1233 -0.1232 -0.1232 1.4448 1.4448 1.4460 1.4460 8.3785 8.3785 8.3834 8.3834 9.2610 9.2610 9.2686 9.2686 10.5922 10.5922 10.5938 10.5938 12.1544 12.1544 12.1581 12.1581 18.8667 18.8667 18.8679 18.8679 20.2603 20.2603 20.2646 20.2646 k = 0.5000 0.4555 0.4936 ( 1516 PWs) bands (ev): -5.8111 -5.8111 -5.8110 -5.8110 -2.0684 -2.0684 -2.0680 -2.0680 -0.1425 -0.1425 -0.1424 -0.1424 1.4098 1.4098 1.4110 1.4110 8.3882 8.3882 8.3930 8.3930 9.2846 9.2846 9.2922 9.2922 10.6123 10.6123 10.6138 10.6138 12.1724 12.1724 12.1761 12.1761 18.8543 18.8543 18.8556 18.8556 20.2496 20.2496 20.2539 20.2539 k = 0.5000 0.4666 0.4936 ( 1512 PWs) bands (ev): -5.8047 -5.8047 -5.8045 -5.8045 -2.0587 -2.0587 -2.0584 -2.0584 -0.1572 -0.1572 -0.1571 -0.1571 1.3822 1.3822 1.3835 1.3835 8.3955 8.3955 8.4003 8.4003 9.3032 9.3032 9.3108 9.3108 10.6280 10.6280 10.6294 10.6294 12.1866 12.1866 12.1904 12.1904 18.8445 18.8445 18.8457 18.8457 20.2412 20.2412 20.2456 20.2456 k = 0.5000 0.4777 0.4936 ( 1512 PWs) bands (ev): -5.8000 -5.8000 -5.7999 -5.7999 -2.0518 -2.0518 -2.0514 -2.0514 -0.1676 -0.1676 -0.1676 -0.1676 1.3624 1.3624 1.3636 1.3636 8.4005 8.4005 8.4053 8.4053 9.3166 9.3166 9.3243 9.3243 10.6391 10.6391 10.6405 10.6405 12.1969 12.1969 12.2006 12.2006 18.8373 18.8373 18.8386 18.8386 20.2353 20.2353 20.2397 20.2397 k = 0.5000 0.4888 0.4936 ( 1512 PWs) bands (ev): -5.7972 -5.7972 -5.7971 -5.7971 -2.0476 -2.0476 -2.0473 -2.0473 -0.1739 -0.1739 -0.1738 -0.1738 1.3503 1.3503 1.3516 1.3516 8.4035 8.4035 8.4083 8.4083 9.3247 9.3247 9.3324 9.3324 10.6458 10.6458 10.6472 10.6472 12.2031 12.2031 12.2069 12.2069 18.8329 18.8329 18.8342 18.8342 20.2318 20.2318 20.2362 20.2362 k = 0.5000 0.4999 0.4936 ( 1520 PWs) bands (ev): -5.7963 -5.7963 -5.7961 -5.7961 -2.0462 -2.0462 -2.0459 -2.0459 -0.1759 -0.1759 -0.1759 -0.1759 1.3463 1.3463 1.3476 1.3476 8.4045 8.4045 8.4092 8.4092 9.3273 9.3273 9.3350 9.3350 10.6480 10.6480 10.6494 10.6494 12.2052 12.2052 12.2089 12.2089 18.8314 18.8314 18.8327 18.8327 20.2305 20.2305 20.2350 20.2350 k = 0.5000 0.4999 0.4936 ( 1520 PWs) bands (ev): -5.7963 -5.7963 -5.7961 -5.7961 -2.0462 -2.0462 -2.0459 -2.0459 -0.1759 -0.1759 -0.1759 -0.1759 1.3463 1.3463 1.3476 1.3476 8.4045 8.4045 8.4092 8.4092 9.3273 9.3273 9.3350 9.3350 10.6480 10.6480 10.6494 10.6494 12.2052 12.2052 12.2089 12.2089 18.8314 18.8314 18.8327 18.8327 20.2305 20.2305 20.2350 20.2350 k = 0.4889 0.4999 0.4936 ( 1516 PWs) bands (ev): -5.8329 -5.8327 -5.7608 -5.7606 -2.1385 -2.1382 -1.9524 -1.9521 -0.1834 -0.1833 -0.1691 -0.1691 1.3006 1.3019 1.3997 1.4009 8.3923 8.3971 8.4107 8.4155 9.3184 9.3260 9.3342 9.3419 10.6400 10.6413 10.6540 10.6554 12.1826 12.1864 12.2219 12.2257 18.8234 18.8246 18.8447 18.8461 20.2277 20.2321 20.2345 20.2388 k = 0.4778 0.4999 0.4936 ( 1512 PWs) bands (ev): -5.8705 -5.8703 -5.7265 -5.7263 -2.2292 -2.2289 -1.8572 -1.8569 -0.1921 -0.1920 -0.1621 -0.1621 1.2633 1.2646 1.4601 1.4613 8.3741 8.3788 8.4110 8.4158 9.3073 9.3148 9.3391 9.3468 10.6301 10.6313 10.6579 10.6593 12.1543 12.1581 12.2327 12.2364 18.8205 18.8218 18.8633 18.8646 20.2258 20.2303 20.2395 20.2438 k = 0.4667 0.4999 0.4936 ( 1512 PWs) bands (ev): -5.9088 -5.9087 -5.6934 -5.6933 -2.3182 -2.3179 -1.7608 -1.7604 -0.2027 -0.2025 -0.1543 -0.1543 1.2350 1.2363 1.5269 1.5280 8.3499 8.3545 8.4053 8.4100 9.2939 9.3014 9.3418 9.3496 10.6183 10.6195 10.6597 10.6611 12.1206 12.1243 12.2373 12.2411 18.8228 18.8241 18.8871 18.8885 20.2248 20.2294 20.2456 20.2498 k = 0.4556 0.4999 0.4936 ( 1516 PWs) bands (ev): -5.9479 -5.9478 -5.6618 -5.6616 -2.4056 -2.4052 -1.6632 -1.6629 -0.2156 -0.2154 -0.1451 -0.1450 1.2162 1.2176 1.5993 1.6005 8.3195 8.3241 8.3936 8.3983 9.2781 9.2856 9.3426 9.3505 10.6048 10.6059 10.6594 10.6608 12.0815 12.0852 12.2359 12.2397 18.8302 18.8314 18.9160 18.9173 20.2247 20.2293 20.2529 20.2570 k = 0.4444 0.4999 0.4936 ( 1524 PWs) bands (ev): -5.9877 -5.9875 -5.6316 -5.6315 -2.4911 -2.4908 -1.5649 -1.5646 -0.2311 -0.2308 -0.1338 -0.1336 1.2072 1.2087 1.6770 1.6780 8.2829 8.2874 8.3760 8.3807 9.2598 9.2673 9.3414 9.3493 10.5898 10.5907 10.6571 10.6585 12.0374 12.0411 12.2284 12.2321 18.8424 18.8436 18.9498 18.9511 20.2254 20.2299 20.2612 20.2652 k = 0.4333 0.4999 0.4936 ( 1524 PWs) bands (ev): -6.0278 -6.0277 -5.6030 -5.6029 -2.5749 -2.5746 -1.4661 -1.4658 -0.2491 -0.2487 -0.1198 -0.1197 1.2082 1.2097 1.7592 1.7603 8.2404 8.2448 8.3526 8.3572 9.2392 9.2466 9.3384 9.3463 10.5734 10.5742 10.6529 10.6543 11.9887 11.9924 12.2148 12.2186 18.8594 18.8605 18.9885 18.9898 20.2268 20.2313 20.2707 20.2746 k = 0.4222 0.4999 0.4936 ( 1524 PWs) bands (ev): -6.0683 -6.0682 -5.5761 -5.5759 -2.6568 -2.6565 -1.3674 -1.3672 -0.2690 -0.2685 -0.1029 -0.1027 1.2192 1.2207 1.8457 1.8468 8.1918 8.1960 8.3234 8.3280 9.2158 9.2232 9.3335 9.3414 10.5559 10.5566 10.6469 10.6483 11.9356 11.9393 12.1953 12.1991 18.8808 18.8819 19.0318 19.0331 20.2288 20.2333 20.2814 20.2851 k = 0.4111 0.4999 0.4936 ( 1528 PWs) bands (ev): -6.1091 -6.1090 -5.5508 -5.5507 -2.7369 -2.7365 -1.2696 -1.2694 -0.2899 -0.2894 -0.0825 -0.0823 1.2397 1.2413 1.9361 1.9371 8.1372 8.1412 8.2884 8.2929 9.1897 9.1971 9.3266 9.3346 10.5374 10.5379 10.6393 10.6407 11.8785 11.8822 12.1699 12.1737 18.9065 18.9076 19.0795 19.0808 20.2313 20.2358 20.2932 20.2968 k = 0.4000 0.4999 0.4936 ( 1528 PWs) bands (ev): -6.1500 -6.1498 -5.5273 -5.5272 -2.8150 -2.8147 -1.1739 -1.1737 -0.3104 -0.3098 -0.0584 -0.0582 1.2695 1.2710 2.0299 2.0310 8.0765 8.0805 8.2477 8.2521 9.1607 9.1680 9.3180 9.3260 10.5182 10.5185 10.6302 10.6315 11.8180 11.8216 12.1389 12.1427 18.9362 18.9373 19.1314 19.1326 20.2343 20.2387 20.3062 20.3096 k = 0.3889 0.4999 0.4936 ( 1524 PWs) bands (ev): -6.1909 -6.1907 -5.5055 -5.5054 -2.8912 -2.8909 -1.0824 -1.0823 -0.3279 -0.3272 -0.0304 -0.0302 1.3078 1.3094 2.1270 2.1281 8.0100 8.0138 8.2013 8.2056 9.1287 9.1359 9.3075 9.3155 10.4984 10.4985 10.6198 10.6211 11.7543 11.7579 12.1024 12.1062 18.9696 18.9706 19.1872 19.1883 20.2376 20.2419 20.3203 20.3235 k = 0.3778 0.4999 0.4936 ( 1524 PWs) bands (ev): -6.2316 -6.2315 -5.4856 -5.4854 -2.9655 -2.9652 -0.9983 -0.9983 -0.3387 -0.3379 0.0019 0.0021 1.3542 1.3558 2.2271 2.2282 7.9377 7.9413 8.1493 8.1535 9.0933 9.1005 9.2951 9.3031 10.4781 10.4781 10.6083 10.6095 11.6879 11.6916 12.0607 12.0645 19.0063 19.0073 19.2465 19.2475 20.2412 20.2454 20.3354 20.3385 k = 0.3667 0.4999 0.4936 ( 1520 PWs) bands (ev): -6.2722 -6.2721 -5.4674 -5.4672 -3.0378 -3.0375 -0.9267 -0.9265 -0.3375 -0.3366 0.0385 0.0387 1.4081 1.4097 2.3299 2.3310 7.8598 7.8633 8.0918 8.0959 9.0545 9.0616 9.2808 9.2888 10.4575 10.4576 10.5958 10.5969 11.6194 11.6231 12.0140 12.0178 19.0460 19.0470 19.3090 19.3099 20.2449 20.2491 20.3517 20.3546 k = 0.3556 0.4999 0.4936 ( 1520 PWs) bands (ev): -6.3125 -6.3123 -5.4510 -5.4508 -3.1081 -3.1078 -0.8734 -0.8732 -0.3178 -0.3167 0.0795 0.0797 1.4687 1.4703 2.4353 2.4364 7.7764 7.7797 8.0288 8.0328 9.0121 9.0192 9.2645 9.2725 10.4367 10.4370 10.5826 10.5836 11.5493 11.5529 11.9626 11.9664 19.0884 19.0894 19.3744 19.3752 20.2488 20.2528 20.3690 20.3717 k = 0.3444 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.3523 -6.3522 -5.4363 -5.4362 -3.1764 -3.1761 -0.8428 -0.8425 -0.2748 -0.2737 0.1250 0.1252 1.5356 1.5372 2.5430 2.5441 7.6878 7.6908 7.9607 7.9645 8.9659 8.9729 9.2462 9.2542 10.4159 10.4164 10.5688 10.5697 11.4780 11.4816 11.9070 11.9107 19.1332 19.1341 19.4422 19.4430 20.2526 20.2566 20.3876 20.3900 k = 0.3333 0.4999 0.4936 ( 1512 PWs) bands (ev): -6.3917 -6.3916 -5.4233 -5.4232 -3.2427 -3.2424 -0.8342 -0.8339 -0.2089 -0.2077 0.1751 0.1753 1.6082 1.6099 2.6529 2.6540 7.5941 7.5970 7.8874 7.8911 8.9156 8.9225 9.2259 9.2338 10.3953 10.3959 10.5545 10.5553 11.4062 11.4096 11.8474 11.8511 19.1798 19.1807 19.5121 19.5127 20.2564 20.2602 20.4072 20.4094 k = 0.3222 0.4999 0.4936 ( 1508 PWs) bands (ev): -6.4305 -6.4304 -5.4120 -5.4119 -3.3069 -3.3066 -0.8428 -0.8425 -0.1246 -0.1234 0.2297 0.2299 1.6861 1.6878 2.7647 2.7659 7.4956 7.4983 7.8091 7.8127 8.8610 8.8678 9.2034 9.2113 10.3747 10.3755 10.5399 10.5407 11.3342 11.3376 11.7842 11.7879 19.2280 19.2288 19.5836 19.5841 20.2601 20.2638 20.4281 20.4301 k = 0.3111 0.4999 0.4936 ( 1512 PWs) bands (ev): -6.4686 -6.4685 -5.4022 -5.4021 -3.3691 -3.3689 -0.8628 -0.8625 -0.0272 -0.0261 0.2889 0.2891 1.7688 1.7705 2.8785 2.8797 7.3926 7.3951 7.7261 7.7295 8.8019 8.8086 9.1786 9.1864 10.3544 10.3553 10.5251 10.5258 11.2627 11.2660 11.7180 11.7217 19.2772 19.2780 19.6560 19.6563 20.2635 20.2671 20.4503 20.4520 k = 0.3000 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.5060 -6.5059 -5.3940 -5.3939 -3.4293 -3.4290 -0.8900 -0.8898 0.0790 0.0801 0.3527 0.3528 1.8559 1.8576 2.9939 2.9951 7.2853 7.2876 7.6384 7.6418 8.7381 8.7447 9.1513 9.1591 10.3344 10.3354 10.5103 10.5109 11.1921 11.1953 11.6491 11.6527 19.3272 19.3279 19.7289 19.7290 20.2667 20.2701 20.4740 20.4754 k = 0.2889 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.5426 -6.5425 -5.3872 -5.3871 -3.4873 -3.4871 -0.9215 -0.9214 0.1915 0.1925 0.4209 0.4210 1.9472 1.9489 3.1108 3.1121 7.1742 7.1762 7.5465 7.5497 8.6695 8.6759 9.1214 9.1291 10.3146 10.3158 10.4956 10.4961 11.1229 11.1260 11.5781 11.5817 19.3775 19.3782 19.8015 19.8016 20.2698 20.2731 20.4995 20.5006 k = 0.2778 0.4999 0.4936 ( 1512 PWs) bands (ev): -6.5783 -6.5782 -5.3817 -5.3816 -3.5433 -3.5430 -0.9556 -0.9554 0.3085 0.3095 0.4934 0.4935 2.0422 2.0439 3.2291 3.2304 7.0594 7.0613 7.4505 7.4536 8.5960 8.6023 9.0888 9.0965 10.2952 10.2965 10.4810 10.4814 11.0556 11.0585 11.5056 11.5091 19.4277 19.4284 19.8730 19.8734 20.2727 20.2758 20.5270 20.5277 k = 0.2667 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.6130 -6.6129 -5.3775 -5.3774 -3.5972 -3.5969 -0.9909 -0.9907 0.4289 0.4300 0.5703 0.5704 2.1406 2.1424 3.3484 3.3498 6.9414 6.9431 7.3507 7.3536 8.5174 8.5235 9.0532 9.0607 10.2761 10.2775 10.4667 10.4670 10.9904 10.9932 11.4320 11.4354 19.4775 19.4781 19.9426 19.9433 20.2753 20.2782 20.5568 20.5573 k = 0.2556 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.6467 -6.6466 -5.3744 -5.3743 -3.6489 -3.6487 -1.0267 -1.0266 0.5522 0.5532 0.6514 0.6514 2.2422 2.2440 3.4687 3.4702 6.8207 6.8222 7.2473 7.2501 8.4337 8.4396 9.0144 9.0218 10.2573 10.2588 10.4526 10.4528 10.9277 10.9304 11.3579 11.3613 19.5265 19.5270 20.0096 20.0105 20.2777 20.2805 20.5893 20.5894 k = 0.2444 0.4999 0.4936 ( 1520 PWs) bands (ev): -6.6794 -6.6793 -5.3723 -5.3722 -3.6986 -3.6984 -1.0625 -1.0624 0.6776 0.6787 0.7365 0.7366 2.3467 2.3485 3.5896 3.5912 6.6975 6.6988 7.1407 7.1433 8.3450 8.3507 8.9722 8.9795 10.2387 10.2403 10.4389 10.4390 10.8679 10.8704 11.2841 11.2873 19.5742 19.5747 20.0729 20.0741 20.2798 20.2825 20.6245 20.6247 k = 0.2333 0.4999 0.4936 ( 1520 PWs) bands (ev): -6.7110 -6.7109 -5.3712 -5.3711 -3.7461 -3.7459 -1.0978 -1.0977 0.8050 0.8061 0.8256 0.8257 2.4539 2.4557 3.7108 3.7124 6.5725 6.5736 7.0311 7.0336 8.2513 8.2568 8.9263 8.9334 10.2205 10.2221 10.4256 10.4257 10.8110 10.8134 11.2109 11.2141 19.6205 19.6209 20.1318 20.1333 20.2818 20.2843 20.6628 20.6632 k = 0.2222 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.7414 -6.7413 -5.3708 -5.3708 -3.7915 -3.7913 -1.1324 -1.1323 0.9186 0.9186 0.9340 0.9351 2.5634 2.5652 3.8319 3.8336 6.4461 6.4470 6.9189 6.9213 8.1528 8.1581 8.8764 8.8834 10.2025 10.2042 10.4127 10.4127 10.7573 10.7595 11.1392 11.1422 19.6649 19.6653 20.1855 20.1873 20.2837 20.2860 20.7039 20.7045 k = 0.2111 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.7705 -6.7704 -5.3713 -5.3712 -3.8347 -3.8345 -1.1660 -1.1659 1.0153 1.0153 1.0643 1.0654 2.6750 2.6769 3.9523 3.9541 6.3190 6.3197 6.8043 6.8066 8.0496 8.0547 8.8224 8.8292 10.1847 10.1865 10.4003 10.4004 10.7068 10.7088 11.0694 11.0722 19.7073 19.7077 20.2338 20.2357 20.2853 20.2874 20.7470 20.7477 k = 0.2000 0.4999 0.4936 ( 1520 PWs) bands (ev): -6.7984 -6.7983 -5.3723 -5.3723 -3.8757 -3.8755 -1.1984 -1.1983 1.1155 1.1155 1.1958 1.1969 2.7883 2.7902 4.0712 4.0731 6.1923 6.1928 6.6880 6.6901 7.9420 7.9468 8.7640 8.7706 10.1672 10.1691 10.3884 10.3885 10.6596 10.6614 11.0021 11.0048 19.7474 19.7477 20.2761 20.2785 20.2871 20.2887 20.7906 20.7912 k = 0.1889 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.8250 -6.8250 -5.3739 -5.3738 -3.9146 -3.9144 -1.2296 -1.2295 1.2191 1.2192 1.3282 1.3294 2.9030 2.9050 4.1874 4.1895 6.0671 6.0674 6.5702 6.5722 7.8303 7.8349 8.7011 8.7074 10.1500 10.1519 10.3770 10.3772 10.6156 10.6173 10.9379 10.9403 19.7850 19.7852 20.2879 20.2899 20.3143 20.3161 20.8320 20.8325 k = 0.1778 0.4999 0.4936 ( 1516 PWs) bands (ev): -6.8503 -6.8502 -5.3759 -5.3758 -3.9513 -3.9512 -1.2593 -1.2592 1.3260 1.3262 1.4615 1.4626 3.0189 3.0209 4.2993 4.3016 5.9453 5.9453 6.4514 6.4533 7.7147 7.7192 8.6335 8.6395 10.1330 10.1349 10.3662 10.3665 10.5749 10.5763 10.8771 10.8794 19.8200 19.8202 20.2892 20.2911 20.3469 20.3488 20.8681 20.8683 k = 0.1667 0.4999 0.4936 ( 1520 PWs) bands (ev): -6.8742 -6.8741 -5.3782 -5.3782 -3.9859 -3.9857 -1.2875 -1.2875 1.4361 1.4362 1.5952 1.5964 3.1353 3.1374 4.4040 4.4066 5.8292 5.8296 6.3322 6.3340 7.5957 7.5999 8.5611 8.5669 10.1163 10.1182 10.3560 10.3563 10.5373 10.5385 10.8202 10.8223 19.8523 19.8525 20.2904 20.2921 20.3754 20.3773 20.8955 20.8955 k = 0.1556 0.4999 0.4936 ( 1520 PWs) bands (ev): -6.8967 -6.8966 -5.3808 -5.3808 -4.0182 -4.0180 -1.3142 -1.3141 1.5492 1.5493 1.7294 1.7306 3.2517 3.2539 4.4973 4.5001 5.7237 5.7244 6.2133 6.2150 7.4735 7.4776 8.4842 8.4896 10.0999 10.1019 10.3463 10.3467 10.5027 10.5038 10.7675 10.7693 19.8819 19.8820 20.2915 20.2930 20.4004 20.4022 20.9122 20.9124 k = 0.1444 0.4999 0.4936 ( 1520 PWs) bands (ev): -6.9178 -6.9177 -5.3836 -5.3835 -4.0483 -4.0482 -1.3392 -1.3392 1.6651 1.6653 1.8636 1.8648 3.3675 3.3698 4.5722 4.5752 5.6357 5.6366 6.0956 6.0971 7.3487 7.3525 8.4026 8.4078 10.0840 10.0859 10.3373 10.3378 10.4712 10.4720 10.7191 10.7207 19.9088 19.9089 20.2926 20.2939 20.4223 20.4240 20.9190 20.9193 k = 0.1333 0.4999 0.4936 ( 1524 PWs) bands (ev): -6.9374 -6.9373 -5.3864 -5.3864 -4.0763 -4.0761 -1.3626 -1.3625 1.7836 1.7839 1.9977 1.9989 3.4819 3.4842 4.6187 4.6220 5.5749 5.5761 5.9800 5.9814 7.2214 7.2250 8.3168 8.3216 10.0686 10.0704 10.3289 10.3294 10.4424 10.4431 10.6751 10.6765 19.9330 19.9331 20.2935 20.2947 20.4416 20.4432 20.9181 20.9183 k = 0.1222 0.4999 0.4936 ( 1524 PWs) bands (ev): -6.9555 -6.9554 -5.3893 -5.3893 -4.1020 -4.1019 -1.3842 -1.3841 1.9048 1.9051 2.1312 2.1325 3.5935 3.5958 4.6270 4.6303 5.5516 5.5528 5.8680 5.8693 7.0922 7.0957 8.2270 8.2316 10.0538 10.0556 10.3211 10.3217 10.4165 10.4170 10.6355 10.6367 19.9547 19.9547 20.2944 20.2954 20.4586 20.4601 20.9120 20.9122 k = 0.1111 0.4999 0.4936 ( 1524 PWs) bands (ev): -6.9721 -6.9721 -5.3922 -5.3922 -4.1255 -4.1254 -1.4040 -1.4040 2.0283 2.0286 2.2639 2.2651 3.7008 3.7033 4.5932 4.5963 5.5692 5.5702 5.7615 5.7626 6.9616 6.9649 8.1339 8.1382 10.0398 10.0415 10.3139 10.3146 10.3932 10.3935 10.6003 10.6013 19.9739 19.9739 20.2951 20.2961 20.4737 20.4750 20.9027 20.9029 k = 0.1000 0.4999 0.4936 ( 1524 PWs) bands (ev): -6.9872 -6.9872 -5.3950 -5.3949 -4.1468 -4.1467 -1.4220 -1.4220 2.1539 2.1543 2.3950 2.3963 3.8018 3.8043 4.5233 4.5261 5.6213 5.6220 5.6628 5.6638 6.8299 6.8330 8.0381 8.0420 10.0266 10.0282 10.3074 10.3082 10.3725 10.3726 10.5692 10.5701 19.9906 19.9907 20.2959 20.2967 20.4870 20.4881 20.8919 20.8921 k = 0.0889 0.4999 0.4936 ( 1520 PWs) bands (ev): -7.0008 -7.0007 -5.3976 -5.3976 -4.1659 -4.1658 -1.4382 -1.4382 2.2816 2.2821 2.5240 2.5253 3.8935 3.8961 4.4279 4.4303 5.5751 5.5760 5.6970 5.6974 6.6978 6.7007 7.9404 7.9440 10.0145 10.0159 10.3016 10.3024 10.3541 10.3542 10.5422 10.5430 20.0053 20.0053 20.2965 20.2972 20.4987 20.4998 20.8805 20.8806 k = 0.0778 0.4999 0.4936 ( 1512 PWs) bands (ev): -7.0127 -7.0127 -5.4000 -5.4000 -4.1826 -4.1826 -1.4526 -1.4525 2.4112 2.4116 2.6500 2.6513 3.9724 3.9750 4.3160 4.3182 5.5029 5.5037 5.7861 5.7862 6.5656 6.5684 7.8419 7.8452 10.0035 10.0048 10.2963 10.2973 10.3381 10.3383 10.5191 10.5197 20.0178 20.0179 20.2971 20.2977 20.5091 20.5100 20.8692 20.8694 k = 0.0667 0.4999 0.4936 ( 1508 PWs) bands (ev): -7.0232 -7.0231 -5.4022 -5.4022 -4.1972 -4.1972 -1.4650 -1.4650 2.5422 2.5427 2.7715 2.7728 4.0342 4.0368 4.1941 4.1959 5.4508 5.4516 5.8814 5.8815 6.4342 6.4368 7.7442 7.7471 9.9937 9.9948 10.2917 10.2928 10.3243 10.3248 10.4995 10.5000 20.0284 20.0284 20.2976 20.2981 20.5180 20.5187 20.8587 20.8588 k = 0.0556 0.4999 0.4936 ( 1508 PWs) bands (ev): -7.0320 -7.0320 -5.4041 -5.4041 -4.2096 -4.2095 -1.4756 -1.4756 2.6744 2.6749 2.8868 2.8881 4.0658 4.0676 4.0757 4.0780 5.4239 5.4246 5.9773 5.9776 6.3043 6.3067 7.6492 7.6518 9.9853 9.9862 10.2878 10.2889 10.3128 10.3135 10.4833 10.4837 20.0371 20.0372 20.2979 20.2983 20.5255 20.5261 20.8492 20.8493 k = 0.0444 0.4999 0.4936 ( 1512 PWs) bands (ev): -7.0393 -7.0392 -5.4057 -5.4057 -4.2197 -4.2197 -1.4842 -1.4842 2.8072 2.8079 2.9933 2.9945 3.9345 3.9360 4.0949 4.0972 5.4250 5.4258 6.0692 6.0696 6.1770 6.1792 7.5599 7.5621 9.9783 9.9790 10.2844 10.2857 10.3036 10.3045 10.4703 10.4706 20.0441 20.0441 20.2981 20.2985 20.5317 20.5322 20.8410 20.8411 k = 0.0333 0.4999 0.4936 ( 1512 PWs) bands (ev): -7.0449 -7.0449 -5.4069 -5.4069 -4.2276 -4.2275 -1.4910 -1.4910 2.9399 2.9406 3.0869 3.0880 3.8020 3.8033 4.0952 4.0971 5.4539 5.4548 6.0539 6.0559 6.1518 6.1522 7.4802 7.4819 9.9728 9.9734 10.2818 10.2829 10.2967 10.2976 10.4604 10.4606 20.0495 20.0495 20.2983 20.2986 20.5366 20.5370 20.8345 20.8345 k = 0.0222 0.4999 0.4936 ( 1508 PWs) bands (ev): -7.0489 -7.0489 -5.4079 -5.4079 -4.2332 -4.2332 -1.4958 -1.4958 3.0701 3.0708 3.1622 3.1630 3.6715 3.6726 4.0839 4.0853 5.5059 5.5070 5.9380 5.9397 6.2190 6.2194 7.4156 7.4169 9.9689 9.9693 10.2798 10.2808 10.2919 10.2927 10.4535 10.4536 20.0532 20.0533 20.2985 20.2986 20.5402 20.5404 20.8296 20.8297 k = 0.0111 0.4999 0.4936 ( 1504 PWs) bands (ev): -7.0513 -7.0513 -5.4084 -5.4084 -4.2365 -4.2365 -1.4987 -1.4987 3.1897 3.1903 3.2121 3.2126 3.5517 3.5525 4.0708 4.0716 5.5705 5.5715 5.8370 5.8384 6.2637 6.2639 7.3728 7.3735 9.9666 9.9667 10.2787 10.2792 10.2893 10.2898 10.4493 10.4494 20.0555 20.0555 20.2986 20.2987 20.5423 20.5424 20.8267 20.8267 k = 0.0000 0.4999 0.4936 ( 1508 PWs) bands (ev): -7.0522 -7.0522 -5.4086 -5.4086 -4.2377 -4.2377 -1.4997 -1.4997 3.2299 3.2299 3.2549 3.2549 3.4870 3.4870 4.0654 4.0654 5.6110 5.6110 5.7857 5.7857 6.2795 6.2795 7.3579 7.3579 9.9658 9.9658 10.2785 10.2785 10.2887 10.2887 10.4480 10.4480 20.0562 20.0562 20.2987 20.2987 20.5431 20.5431 20.8257 20.8257 k = 0.0000 0.4999 0.4936 ( 1508 PWs) bands (ev): -7.0522 -7.0522 -5.4086 -5.4086 -4.2377 -4.2377 -1.4997 -1.4997 3.2299 3.2299 3.2549 3.2549 3.4870 3.4870 4.0654 4.0654 5.6110 5.6110 5.7857 5.7857 6.2795 6.2795 7.3579 7.3579 9.9658 9.9658 10.2785 10.2785 10.2887 10.2887 10.4480 10.4480 20.0562 20.0562 20.2987 20.2987 20.5431 20.5431 20.8257 20.8257 k = 0.0000 0.4888 0.4936 ( 1508 PWs) bands (ev): -7.0551 -7.0550 -5.4048 -5.4048 -4.2401 -4.2401 -1.4954 -1.4954 3.1802 3.1803 3.3051 3.3052 3.4848 3.4849 4.0634 4.0635 5.6136 5.6140 5.7850 5.7851 6.2827 6.2831 7.3601 7.3602 9.9569 9.9572 10.2664 10.2665 10.2931 10.2933 10.4561 10.4562 20.0568 20.0571 20.2780 20.2802 20.5634 20.5653 20.8294 20.8296 k = 0.0000 0.4777 0.4936 ( 1504 PWs) bands (ev): -7.0636 -7.0636 -5.3936 -5.3936 -4.2475 -4.2475 -1.4825 -1.4825 3.1207 3.1209 3.3664 3.3664 3.4783 3.4786 4.0573 4.0577 5.6219 5.6226 5.7830 5.7831 6.2928 6.2936 7.3666 7.3668 9.9319 9.9324 10.2354 10.2355 10.3053 10.3057 10.4755 10.4755 20.0587 20.0593 20.2316 20.2349 20.6139 20.6167 20.8405 20.8409 k = 0.0000 0.4666 0.4936 ( 1506 PWs) bands (ev): -7.0777 -7.0777 -5.3752 -5.3751 -4.2596 -4.2596 -1.4612 -1.4612 3.0619 3.0621 3.4282 3.4282 3.4677 3.4681 4.0475 4.0479 5.6356 5.6367 5.7798 5.7800 6.3094 6.3105 7.3771 7.3774 9.8936 9.8944 10.1932 10.1933 10.3224 10.3229 10.4985 10.4985 20.0621 20.0629 20.1752 20.1790 20.6782 20.6812 20.8589 20.8594 k = 0.0000 0.4555 0.4936 ( 1506 PWs) bands (ev): -7.0968 -7.0967 -5.3499 -5.3499 -4.2762 -4.2762 -1.4318 -1.4318 3.0041 3.0043 3.4531 3.4536 3.4900 3.4900 4.0339 4.0346 5.6546 5.6560 5.7759 5.7761 6.3323 6.3339 7.3914 7.3918 9.8451 9.8459 10.1441 10.1444 10.3416 10.3421 10.5210 10.5210 20.0669 20.0680 20.1159 20.1200 20.7483 20.7513 20.8840 20.8847 k = 0.0000 0.4443 0.4936 ( 1510 PWs) bands (ev): -7.1204 -7.1203 -5.3185 -5.3184 -4.2970 -4.2970 -1.3946 -1.3945 2.9476 2.9478 3.4350 3.4355 3.5513 3.5514 4.0170 4.0178 5.6787 5.6805 5.7715 5.7718 6.3613 6.3632 7.4089 7.4094 9.7882 9.7891 10.0906 10.0908 10.3609 10.3615 10.5411 10.5411 20.0564 20.0607 20.0731 20.0745 20.8211 20.8239 20.9153 20.9162 k = 0.0000 0.4332 0.4936 ( 1508 PWs) bands (ev): -7.1480 -7.1479 -5.2814 -5.2813 -4.3216 -4.3216 -1.3499 -1.3499 2.8925 2.8928 3.4135 3.4142 3.6119 3.6120 3.9970 3.9979 5.7077 5.7097 5.7673 5.7676 6.3959 6.3981 7.4289 7.4295 9.7244 9.7254 10.0339 10.0342 10.3793 10.3799 10.5578 10.5579 19.9981 20.0025 20.0806 20.0823 20.8945 20.8972 20.9520 20.9532 k = 0.0000 0.4221 0.4936 ( 1512 PWs) bands (ev): -7.1790 -7.1789 -5.2392 -5.2391 -4.3496 -4.3496 -1.2983 -1.2982 2.8391 2.8394 3.3890 3.3898 3.6713 3.6715 3.9742 3.9752 5.7410 5.7435 5.7638 5.7643 6.4355 6.4380 7.4508 7.4514 9.6543 9.6554 9.9751 9.9755 10.3960 10.3966 10.5708 10.5708 19.9411 19.9457 20.0892 20.0912 20.9672 20.9696 20.9926 20.9941 k = 0.0000 0.4110 0.4936 ( 1516 PWs) bands (ev): -7.2128 -7.2128 -5.1926 -5.1925 -4.3806 -4.3805 -1.2401 -1.2400 2.7874 2.7877 3.3620 3.3628 3.7293 3.7295 3.9490 3.9501 5.7617 5.7618 5.7789 5.7813 6.4799 6.4827 7.4735 7.4743 9.5787 9.5798 9.9152 9.9156 10.4108 10.4114 10.5798 10.5799 19.8860 19.8906 20.0984 20.1007 21.0343 21.0360 21.0380 21.0404 k = 0.0000 0.3999 0.4936 ( 1520 PWs) bands (ev): -7.2490 -7.2489 -5.1421 -5.1420 -4.4141 -4.4140 -1.1758 -1.1757 2.7375 2.7378 3.3326 3.3335 3.7853 3.7856 3.9218 3.9230 5.7614 5.7618 5.8202 5.8229 6.5284 6.5315 7.4963 7.4972 9.4979 9.4991 9.8550 9.8554 10.4235 10.4241 10.5849 10.5850 19.8325 19.8372 20.1076 20.1103 21.0715 21.0739 21.1047 21.1065 k = 0.0000 0.3888 0.4936 ( 1520 PWs) bands (ev): -7.2869 -7.2869 -5.0884 -5.0882 -4.4497 -4.4497 -1.1059 -1.1058 2.6895 2.6899 3.3014 3.3023 3.8390 3.8393 3.8930 3.8943 5.7638 5.7642 5.8649 5.8680 6.5806 6.5840 7.5180 7.5190 9.4122 9.4134 9.7956 9.7961 10.4340 10.4347 10.5858 10.5860 19.7808 19.7855 20.1156 20.1186 21.0857 21.0890 21.1661 21.1675 k = 0.0000 0.3777 0.4936 ( 1520 PWs) bands (ev): -7.3262 -7.3262 -5.0318 -5.0317 -4.4870 -4.4870 -1.0307 -1.0306 2.6436 2.6440 3.2686 3.2696 3.8628 3.8642 3.8900 3.8904 5.7694 5.7699 5.9127 5.9159 6.6361 6.6397 7.5375 7.5386 9.3219 9.3232 9.7382 9.7388 10.4425 10.4431 10.5828 10.5829 19.7304 19.7352 20.1206 20.1239 21.0551 21.0584 21.2197 21.2206 k = 0.0000 0.3666 0.4936 ( 1524 PWs) bands (ev): -7.3666 -7.3665 -4.9730 -4.9728 -4.5257 -4.5257 -0.9509 -0.9507 2.5998 2.6003 3.2346 3.2356 3.8317 3.8332 3.9378 3.9382 5.7788 5.7793 5.9631 5.9665 6.6944 6.6982 7.5536 7.5548 9.2274 9.2288 9.6839 9.6845 10.4489 10.4495 10.5758 10.5759 19.6811 19.6859 20.1201 20.1238 20.9937 20.9969 21.2629 21.2631 k = 0.0000 0.3555 0.4936 ( 1516 PWs) bands (ev): -7.4075 -7.4074 -4.9122 -4.9121 -4.5654 -4.5654 -0.8666 -0.8665 2.5583 2.5588 3.1995 3.2006 3.8001 3.8016 3.9822 3.9827 5.7926 5.7931 6.0157 6.0193 6.7550 6.7590 7.5650 7.5663 9.1290 9.1304 9.6340 9.6346 10.4534 10.4541 10.5649 10.5651 19.6327 19.6375 20.1106 20.1147 20.9267 20.9299 21.2923 21.2927 k = 0.0000 0.3444 0.4936 ( 1514 PWs) bands (ev): -7.4488 -7.4487 -4.8499 -4.8498 -4.6058 -4.6058 -0.7783 -0.7781 2.5190 2.5195 3.1638 3.1648 3.7682 3.7697 4.0229 4.0233 5.8110 5.8115 6.0700 6.0738 6.8175 6.8218 7.5705 7.5719 9.0268 9.0283 9.5897 9.5904 10.4561 10.4568 10.5502 10.5504 19.5846 19.5894 20.0880 20.0924 20.8673 20.8704 21.3054 21.3066 k = 0.0000 0.3333 0.4936 ( 1514 PWs) bands (ev): -7.4901 -7.4901 -4.7865 -4.7864 -4.6466 -4.6466 -0.6864 -0.6862 2.4821 2.4826 3.1275 3.1286 3.7363 3.7379 4.0596 4.0600 5.8344 5.8350 6.1258 6.1297 6.8816 6.8860 7.5688 7.5703 8.9214 8.9229 9.5523 9.5530 10.4572 10.4579 10.5318 10.5321 19.5363 19.5410 20.0484 20.0528 20.8226 20.8255 21.3014 21.3031 k = 0.0000 0.3221 0.4936 ( 1514 PWs) bands (ev): -7.5314 -7.5313 -4.7223 -4.7221 -4.6876 -4.6875 -0.5912 -0.5910 2.4476 2.4481 3.0910 3.0920 3.7047 3.7064 4.0922 4.0927 5.8629 5.8635 6.1824 6.1865 6.9467 6.9513 7.5591 7.5607 8.8131 8.8146 9.5229 9.5236 10.4568 10.4575 10.5099 10.5101 19.4873 19.4920 19.9899 19.9942 20.7961 20.7988 21.2809 21.2832 k = 0.0000 0.3110 0.4936 ( 1514 PWs) bands (ev): -7.5722 -7.5722 -4.7285 -4.7284 -4.6575 -4.6573 -0.4930 -0.4928 2.4155 2.4160 3.0543 3.0553 3.6738 3.6755 4.1208 4.1213 5.8965 5.8970 6.2395 6.2437 7.0125 7.0173 7.5407 7.5423 8.7024 8.7039 9.5022 9.5029 10.4550 10.4558 10.4845 10.4848 19.4371 19.4417 19.9133 19.9174 20.7879 20.7902 21.2469 21.2495 k = 0.0000 0.2999 0.4936 ( 1518 PWs) bands (ev): -7.6126 -7.6125 -4.7691 -4.7691 -4.5925 -4.5924 -0.3921 -0.3919 2.3859 2.3864 3.0176 3.0187 3.6436 3.6454 4.1454 4.1459 5.9349 5.9354 6.2965 6.3009 7.0786 7.0835 7.5132 7.5149 8.5898 8.5914 9.4908 9.4915 10.4520 10.4529 10.4559 10.4562 19.3851 19.3896 19.8218 19.8256 20.7952 20.7971 21.2031 21.2059 k = 0.0000 0.2888 0.4936 ( 1518 PWs) bands (ev): -7.6522 -7.6522 -4.8092 -4.8092 -4.5276 -4.5274 -0.2888 -0.2886 2.3588 2.3594 2.9812 2.9822 3.6146 3.6164 4.1665 4.1670 5.9776 5.9781 6.3528 6.3573 7.1445 7.1496 7.4770 7.4787 8.4761 8.4778 9.4888 9.4894 10.4240 10.4244 10.4482 10.4490 19.3308 19.3353 19.7192 19.7227 20.8147 20.8162 21.1536 21.1565 k = 0.0000 0.2777 0.4936 ( 1518 PWs) bands (ev): -7.6911 -7.6910 -4.8487 -4.8487 -4.4629 -4.4627 -0.1835 -0.1833 2.3343 2.3349 2.9450 2.9461 3.5869 3.5887 4.1842 4.1847 6.0241 6.0246 6.4077 6.4123 7.2097 7.2149 7.4327 7.4343 8.3623 8.3640 9.4959 9.4964 10.3892 10.3896 10.4433 10.4442 19.2739 19.2782 19.6087 19.6119 20.8432 20.8443 21.1019 21.1047 k = 0.0000 0.2666 0.4936 ( 1514 PWs) bands (ev): -7.7290 -7.7290 -4.8875 -4.8875 -4.3988 -4.3986 -0.0763 -0.0761 2.3123 2.3129 2.9094 2.9104 3.5607 3.5626 4.1989 4.1994 6.0733 6.0738 6.4602 6.4649 7.2737 7.2789 7.3815 7.3831 8.2494 8.2513 9.5114 9.5118 10.3516 10.3521 10.4378 10.4387 19.2140 19.2182 19.4931 19.4960 20.8782 20.8790 21.0506 21.0534 k = 0.0000 0.2555 0.4936 ( 1510 PWs) bands (ev): -7.7659 -7.7659 -4.9253 -4.9253 -4.3354 -4.3352 0.0323 0.0325 2.2929 2.2935 2.8742 2.8752 3.5364 3.5382 4.2113 4.2117 6.1240 6.1244 6.5093 6.5140 7.3250 7.3267 7.3358 7.3409 8.1393 8.1412 9.5344 9.5346 10.3114 10.3120 10.4317 10.4326 19.1509 19.1549 19.3743 19.3770 20.9179 20.9183 21.0017 21.0045 k = 0.0000 0.2444 0.4936 ( 1518 PWs) bands (ev): -7.8018 -7.8017 -4.9622 -4.9622 -4.2730 -4.2728 0.1421 0.1424 2.2759 2.2766 2.8395 2.8406 3.5140 3.5159 4.2216 4.2220 6.1744 6.1748 6.5531 6.5579 7.2659 7.2675 7.3943 7.3994 8.0343 8.0364 9.5637 9.5639 10.2688 10.2695 10.4252 10.4262 19.0846 19.0885 19.2539 19.2564 20.9560 20.9590 20.9608 20.9612 k = 0.0000 0.2333 0.4936 ( 1522 PWs) bands (ev): -7.8364 -7.8363 -4.9979 -4.9979 -4.2118 -4.2117 0.2528 0.2530 2.2615 2.2621 2.8055 2.8065 3.4939 3.4958 4.2304 4.2308 6.2221 6.2225 6.5896 6.5943 7.2070 7.2086 7.4479 7.4528 7.9384 7.9408 9.5982 9.5983 10.2242 10.2251 10.4185 10.4195 19.0154 19.0191 19.1332 19.1354 20.9156 20.9184 21.0055 21.0055 k = 0.0000 0.2222 0.4936 ( 1522 PWs) bands (ev): -7.8697 -7.8697 -5.0324 -5.0324 -4.1521 -4.1519 0.3640 0.3643 2.2495 2.2501 2.7723 2.7732 3.4763 3.4783 4.2382 4.2386 6.2637 6.2640 6.6159 6.6204 7.1523 7.1538 7.4929 7.4970 7.8579 7.8609 9.6364 9.6367 10.1781 10.1792 10.4117 10.4128 18.9435 18.9470 19.0130 19.0151 20.8798 20.8826 21.0513 21.0515 k = 0.0000 0.2111 0.4936 ( 1518 PWs) bands (ev): -7.9018 -7.9017 -5.0656 -5.0656 -4.0939 -4.0937 0.4754 0.4757 2.2399 2.2406 2.7398 2.7407 3.4615 3.4635 4.2454 4.2458 6.2947 6.2950 6.6282 6.6324 7.1069 7.1084 7.5227 7.5253 7.8027 7.8069 9.6765 9.6771 10.1314 10.1327 10.4049 10.4061 18.8694 18.8727 18.8942 18.8961 20.8492 20.8519 21.0976 21.0979 k = 0.0000 0.2000 0.4936 ( 1518 PWs) bands (ev): -7.9324 -7.9324 -5.0974 -5.0974 -4.0375 -4.0373 0.5865 0.5869 2.2326 2.2332 2.7080 2.7089 3.4498 3.4517 4.2525 4.2529 6.3095 6.3098 6.6225 6.6263 7.0768 7.0782 7.5313 7.5319 7.7829 7.7886 9.7162 9.7172 10.0857 10.0873 10.3983 10.3995 18.7773 18.7792 18.7938 18.7968 20.8234 20.8261 21.1437 21.1442 k = 0.0000 0.1888 0.4936 ( 1512 PWs) bands (ev): -7.9616 -7.9616 -5.1278 -5.1277 -3.9831 -3.9830 0.6971 0.6974 2.2274 2.2280 2.6771 2.6780 3.4413 3.4433 4.2600 4.2603 6.3037 6.3041 6.5956 6.5987 7.0670 7.0682 7.5240 7.5251 7.7949 7.8018 9.7514 9.7530 10.0442 10.0464 10.3921 10.3933 18.6632 18.6649 18.7171 18.7200 20.8024 20.8049 21.1892 21.1898 k = 0.0000 0.1777 0.4936 ( 1516 PWs) bands (ev): -7.9894 -7.9893 -5.1567 -5.1567 -3.9309 -3.9307 0.8065 0.8068 2.2242 2.2249 2.6470 2.6478 3.4365 3.4384 4.2680 4.2683 6.2758 6.2762 6.5462 6.5486 7.0793 7.0804 7.5176 7.5199 7.8240 7.8315 9.7744 9.7767 10.0141 10.0169 10.3862 10.3875 18.5523 18.5539 18.6401 18.6427 20.7855 20.7880 21.2334 21.2341 k = 0.0000 0.1666 0.4936 ( 1512 PWs) bands (ev): -8.0156 -8.0155 -5.1841 -5.1841 -3.8810 -3.8808 0.9143 0.9147 2.2229 2.2236 2.6176 2.6185 3.4356 3.4375 4.2771 4.2774 6.2281 6.2286 6.4761 6.4779 7.1118 7.1127 7.5214 7.5247 7.8594 7.8672 9.7743 9.7769 10.0064 10.0094 10.3809 10.3822 18.4451 18.4466 18.5636 18.5660 20.7725 20.7749 21.2761 21.2769 k = 0.0000 0.1555 0.4936 ( 1508 PWs) bands (ev): -8.0402 -8.0402 -5.2098 -5.2098 -3.8336 -3.8334 1.0200 1.0204 2.2233 2.2240 2.5891 2.5899 3.4389 3.4408 4.2875 4.2878 6.1653 6.1659 6.3892 6.3904 7.1599 7.1607 7.5366 7.5407 7.8958 7.9038 9.7479 9.7501 10.0239 10.0265 10.3762 10.3775 18.3421 18.3435 18.4883 18.4906 20.7628 20.7651 21.3171 21.3179 k = 0.0000 0.1444 0.4936 ( 1508 PWs) bands (ev): -8.0633 -8.0633 -5.2340 -5.2340 -3.7887 -3.7886 1.1229 1.1233 2.2253 2.2259 2.5614 2.5622 3.4468 3.4487 4.2995 4.2997 6.0923 6.0929 6.2898 6.2905 7.2192 7.2199 7.5613 7.5659 7.9307 7.9388 9.7035 9.7053 10.0573 10.0594 10.3721 10.3734 18.2438 18.2451 18.4148 18.4169 20.7559 20.7581 21.3560 21.3569 k = 0.0000 0.1333 0.4936 ( 1500 PWs) bands (ev): -8.0848 -8.0848 -5.2565 -5.2565 -3.7467 -3.7466 1.2225 1.2229 2.2285 2.2290 2.5345 2.5352 3.4594 3.4614 4.3133 4.3135 6.0130 6.0135 6.1818 6.1822 7.2860 7.2866 7.5929 7.5980 7.9628 7.9710 9.6499 9.6514 10.0977 10.0993 10.3688 10.3701 18.1506 18.1518 18.3440 18.3459 20.7514 20.7535 21.3927 21.3936 k = 0.0000 0.1222 0.4936 ( 1500 PWs) bands (ev): -8.1047 -8.1046 -5.2773 -5.2773 -3.7076 -3.7074 1.3182 1.3186 2.2327 2.2333 2.5083 2.5090 3.4771 3.4790 4.3290 4.3292 5.9301 5.9307 6.0684 6.0686 7.3575 7.3580 7.6290 7.6345 7.9914 7.9997 9.5914 9.5925 10.1402 10.1415 10.3661 10.3674 18.0630 18.0641 18.2762 18.2780 20.7489 20.7508 21.4269 21.4278 k = 0.0000 0.1111 0.4936 ( 1500 PWs) bands (ev): -8.1228 -8.1228 -5.2964 -5.2964 -3.6714 -3.6713 1.4092 1.4096 2.2378 2.2383 2.4828 2.4834 3.5000 3.5018 4.3467 4.3470 5.8461 5.8466 5.9524 5.9524 7.4315 7.4319 7.6679 7.6737 8.0159 8.0243 9.5302 9.5311 10.1825 10.1836 10.3641 10.3653 17.9814 17.9823 18.2123 18.2138 20.7478 20.7497 21.4586 21.4595 k = 0.0000 0.1000 0.4936 ( 1504 PWs) bands (ev): -8.1394 -8.1393 -5.3137 -5.3137 -3.6384 -3.6383 1.4949 1.4953 2.2434 2.2439 2.4581 2.4587 3.5279 3.5297 4.3665 4.3667 5.7624 5.7629 5.8356 5.8359 7.5066 7.5069 7.7082 7.7143 8.0362 8.0446 9.4679 9.4687 10.2232 10.2242 10.3627 10.3639 17.9061 17.9070 18.1527 18.1541 20.7480 20.7496 21.4877 21.4885 k = 0.0000 0.0889 0.4936 ( 1508 PWs) bands (ev): -8.1542 -8.1542 -5.3293 -5.3293 -3.6086 -3.6085 1.5748 1.5751 2.2493 2.2497 2.4341 2.4346 3.5605 3.5623 4.3882 4.3884 5.6807 5.6812 5.7205 5.7208 7.5811 7.5814 7.7487 7.7551 8.0520 8.0604 9.4055 9.4061 10.2615 10.2623 10.3619 10.3631 17.8376 17.8384 18.0978 18.0990 20.7489 20.7505 21.5140 21.5148 k = 0.0000 0.0778 0.4936 ( 1508 PWs) bands (ev): -8.1673 -8.1673 -5.3431 -5.3431 -3.5822 -3.5821 1.6481 1.6484 2.2553 2.2556 2.4109 2.4114 3.5974 3.5990 4.4115 4.4117 5.6023 5.6028 5.6087 5.6092 7.6539 7.6541 7.7889 7.7954 8.0631 8.0716 9.3441 9.3447 10.2967 10.2973 10.3616 10.3627 17.7762 17.7769 18.0484 18.0494 20.7505 20.7518 21.5376 21.5384 k = 0.0000 0.0667 0.4936 ( 1504 PWs) bands (ev): -8.1787 -8.1787 -5.3550 -5.3550 -3.5591 -3.5590 1.7144 1.7147 2.2611 2.2614 2.3887 2.3891 3.6374 3.6389 4.4360 4.4362 5.5025 5.5029 5.5286 5.5290 7.7234 7.7235 7.8279 7.8346 8.0697 8.0781 9.2849 9.2854 10.3281 10.3286 10.3617 10.3627 17.7222 17.7228 18.0047 18.0056 20.7524 20.7536 21.5583 21.5590 k = 0.0000 0.0555 0.4936 ( 1504 PWs) bands (ev): -8.1883 -8.1883 -5.3652 -5.3652 -3.5394 -3.5393 1.7730 1.7732 2.2664 2.2667 2.3677 2.3681 3.6789 3.6802 4.4608 4.4610 5.4041 5.4045 5.4609 5.4613 7.7879 7.7880 7.8653 7.8720 8.0716 8.0799 9.2294 9.2298 10.3554 10.3558 10.3621 10.3630 17.6760 17.6765 17.9671 17.9678 20.7543 20.7553 21.5761 21.5767 k = 0.0000 0.0444 0.4936 ( 1504 PWs) bands (ev): -8.1963 -8.1962 -5.3735 -5.3735 -3.5232 -3.5232 1.8232 1.8234 2.2710 2.2713 2.3484 2.3487 3.7197 3.7209 4.4849 4.4850 5.3162 5.3167 5.4010 5.4014 7.8454 7.8457 7.9006 7.9073 8.0690 8.0772 9.1793 9.1796 10.3625 10.3631 10.3784 10.3787 17.6379 17.6383 17.9359 17.9365 20.7561 20.7569 21.5908 21.5914 k = 0.0000 0.0333 0.4936 ( 1504 PWs) bands (ev): -8.2024 -8.2024 -5.3800 -5.3800 -3.5106 -3.5106 1.8642 1.8644 2.2749 2.2750 2.3315 2.3317 3.7570 3.7580 4.5067 4.5068 5.2421 5.2425 5.3509 5.3512 7.8939 7.8944 7.9334 7.9400 8.0621 8.0701 9.1366 9.1368 10.3631 10.3635 10.3965 10.3967 17.6079 17.6082 17.9113 17.9118 20.7577 20.7583 21.6025 21.6029 k = 0.0000 0.0222 0.4936 ( 1504 PWs) bands (ev): -8.2068 -8.2068 -5.3846 -5.3846 -3.5016 -3.5015 1.8950 1.8951 2.2777 2.2778 2.3180 2.3181 3.7875 3.7881 4.5244 4.5245 5.1854 5.1857 5.3128 5.3129 7.9310 7.9316 7.9631 7.9696 8.0511 8.0588 9.1037 9.1038 10.3635 10.3639 10.4095 10.4097 17.5864 17.5866 17.8937 17.8940 20.7590 20.7594 21.6108 21.6111 k = 0.0000 0.0111 0.4936 ( 1504 PWs) bands (ev): -8.2095 -8.2095 -5.3874 -5.3874 -3.4961 -3.4961 1.9142 1.9143 2.2794 2.2795 2.3092 2.3092 3.8076 3.8079 4.5362 4.5362 5.1496 5.1498 5.2887 5.2888 7.9546 7.9551 7.9888 7.9948 8.0373 8.0441 9.0828 9.0829 10.3639 10.3641 10.4175 10.4176 17.5735 17.5736 17.8831 17.8832 20.7598 20.7600 21.6159 21.6161 k = 0.0000 0.0000 0.4936 ( 1510 PWs) bands (ev): -8.2103 -8.2103 -5.3884 -5.3884 -3.4943 -3.4943 1.9208 1.9208 2.2800 2.2800 2.3061 2.3061 3.8147 3.8147 4.5403 4.5403 5.1374 5.1374 5.2805 5.2805 7.9627 7.9627 8.0059 8.0059 8.0302 8.0302 9.0756 9.0756 10.3640 10.3640 10.4202 10.4202 17.5692 17.5692 17.8795 17.8795 20.7601 20.7601 21.6177 21.6177 k = 0.0000 0.4999-0.0000 ( 1514 PWs) bands (ev): -8.0647 -8.0647 -6.0992 -6.0992 -0.7496 -0.7496 -0.2246 -0.2246 -0.1008 -0.1008 3.7479 3.7479 4.7338 4.7338 4.9561 4.9561 4.9924 4.9924 5.0598 5.0598 7.5977 7.5977 7.7692 7.7692 8.6745 8.6745 8.9310 8.9310 10.3224 10.3224 10.3580 10.3580 16.6541 16.6541 18.0713 18.0713 21.3054 21.3054 22.4911 22.4911 k = 0.0000 0.4999 0.0112 ( 1514 PWs) bands (ev): -8.0638 -8.0638 -6.0985 -6.0985 -0.7663 -0.7663 -0.2255 -0.2255 -0.0853 -0.0852 3.7413 3.7415 4.7224 4.7238 4.8998 4.9037 5.0538 5.0574 5.0734 5.0748 7.5931 7.5933 7.7626 7.7630 8.6780 8.6789 8.9314 8.9319 10.3220 10.3223 10.3572 10.3576 16.6583 16.6584 18.0757 18.0759 21.3070 21.3072 22.4880 22.4880 k = 0.0000 0.4999 0.0224 ( 1512 PWs) bands (ev): -8.0611 -8.0611 -6.0964 -6.0964 -0.8125 -0.8125 -0.2281 -0.2281 -0.0427 -0.0426 3.7221 3.7224 4.6942 4.6966 4.8403 4.8443 5.1111 5.1135 5.1396 5.1432 7.5794 7.5798 7.7438 7.7445 8.6892 8.6908 8.9330 8.9340 10.3213 10.3218 10.3549 10.3557 16.6709 16.6711 18.0890 18.0893 21.3119 21.3125 22.4785 22.4786 k = 0.0000 0.4999 0.0337 ( 1504 PWs) bands (ev): -8.0567 -8.0567 -6.0929 -6.0929 -0.8798 -0.8797 -0.2325 -0.2324 0.0185 0.0187 3.6911 3.6915 4.6573 4.6603 4.7904 4.7945 5.1652 5.1680 5.2323 5.2357 7.5571 7.5576 7.7142 7.7152 8.7065 8.7089 8.9355 8.9368 10.3203 10.3210 10.3514 10.3526 16.6919 16.6923 18.1112 18.1116 21.3202 21.3210 22.4631 22.4631 k = 0.0000 0.4999 0.0449 ( 1504 PWs) bands (ev): -8.0505 -8.0505 -6.0881 -6.0881 -0.9607 -0.9607 -0.2388 -0.2386 0.0911 0.0913 3.6496 3.6501 4.6170 4.6203 4.7505 4.7545 5.2296 5.2328 5.3298 5.3330 7.5266 7.5273 7.6760 7.6771 8.7281 8.7311 8.9381 8.9398 10.3193 10.3202 10.3470 10.3486 16.7212 16.7216 18.1420 18.1426 21.3315 21.3326 22.4420 22.4420 k = 0.0000 0.4999 0.0561 ( 1504 PWs) bands (ev): -8.0426 -8.0426 -6.0819 -6.0819 -1.0505 -1.0504 -0.2468 -0.2466 0.1703 0.1705 3.5996 3.6000 4.5764 4.5799 4.7201 4.7240 5.3011 5.3045 5.4302 5.4332 7.4887 7.4895 7.6313 7.6325 8.7520 8.7556 8.9402 8.9423 10.3186 10.3198 10.3421 10.3440 16.7585 16.7590 18.1813 18.1820 21.3457 21.3470 22.4158 22.4159 k = 0.0000 0.4999 0.0673 ( 1500 PWs) bands (ev): -8.0329 -8.0329 -6.0744 -6.0744 -1.1460 -1.1460 -0.2569 -0.2566 0.2532 0.2535 3.5428 3.5433 4.5371 4.5407 4.6983 4.7021 5.3780 5.3814 5.5319 5.5347 7.4440 7.4449 7.5826 7.5839 8.7763 8.7804 8.9411 8.9435 10.3186 10.3200 10.3371 10.3394 16.8037 16.8043 18.2288 18.2297 21.3623 21.3640 22.3852 22.3855 k = 0.0000 0.4999 0.0785 ( 1500 PWs) bands (ev): -8.0214 -8.0214 -6.0655 -6.0655 -1.2457 -1.2456 -0.2689 -0.2686 0.3381 0.3384 3.4814 3.4818 4.4998 4.5035 4.6840 4.6877 5.4590 5.4624 5.6329 5.6356 7.3934 7.3943 7.5324 7.5335 8.7992 8.8037 8.9400 8.9426 10.3195 10.3211 10.3326 10.3351 16.8564 16.8571 18.2842 18.2853 21.3810 21.3830 22.3510 22.3515 k = 0.0000 0.4999 0.0898 ( 1496 PWs) bands (ev): -8.0083 -8.0083 -6.0554 -6.0553 -1.3481 -1.3481 -0.2831 -0.2827 0.4240 0.4243 3.4171 3.4174 4.4649 4.4687 4.6762 4.6798 5.5433 5.5468 5.7311 5.7336 7.3375 7.3385 7.4831 7.4842 8.8195 8.8244 8.9362 8.9391 10.3217 10.3236 10.3292 10.3319 16.9163 16.9172 18.3471 18.3483 21.4011 21.4035 22.3144 22.3151 k = 0.0000 0.4999 0.1010 ( 1504 PWs) bands (ev): -7.9935 -7.9935 -6.0439 -6.0439 -1.4527 -1.4526 -0.2994 -0.2991 0.5102 0.5106 3.3516 3.3518 4.4327 4.4366 4.6738 4.6773 5.6303 5.6338 5.8239 5.8261 7.2771 7.2781 7.4376 7.4385 8.8359 8.8411 8.9294 8.9324 10.3242 10.3273 10.3286 10.3305 16.9831 16.9841 18.4170 18.4185 21.4216 21.4245 22.2762 22.2773 k = 0.0000 0.4999 0.1122 ( 1504 PWs) bands (ev): -7.9770 -7.9770 -6.0312 -6.0312 -1.5588 -1.5587 -0.3181 -0.3177 0.5964 0.5969 3.2862 3.2863 4.4033 4.4072 4.6762 4.6795 5.7194 5.7230 5.9082 5.9102 7.2129 7.2139 7.3993 7.3999 8.8475 8.8530 8.9191 8.9223 10.3254 10.3294 10.3332 10.3346 17.0566 17.0576 18.4938 18.4954 21.4418 21.4451 22.2382 22.2396 k = 0.0000 0.4999 0.1234 ( 1504 PWs) bands (ev): -7.9588 -7.9588 -6.0173 -6.0173 -1.6659 -1.6658 -0.3391 -0.3387 0.6823 0.6828 3.2222 3.2222 4.3767 4.3806 4.6825 4.6857 5.8100 5.8136 5.9805 5.9821 7.1456 7.1465 7.3717 7.3720 8.8538 8.8594 8.9054 8.9086 10.3280 10.3321 10.3410 10.3425 17.1362 17.1373 18.5768 18.5785 21.4600 21.4638 22.2018 22.2037 k = 0.0000 0.4999 0.1346 ( 1510 PWs) bands (ev): -7.9390 -7.9390 -6.0022 -6.0022 -1.7739 -1.7738 -0.3626 -0.3622 0.7678 0.7683 3.1604 3.1604 4.3528 4.3568 4.6923 4.6954 5.9015 5.9050 6.0368 6.0381 7.0757 7.0766 7.3586 7.3586 8.8544 8.8601 8.8884 8.8915 10.3330 10.3373 10.3509 10.3526 17.2215 17.2227 18.6655 18.6674 21.4746 21.4788 22.1692 22.1714 k = 0.0000 0.4999 0.1458 ( 1518 PWs) bands (ev): -7.9177 -7.9177 -5.9860 -5.9860 -1.8822 -1.8821 -0.3887 -0.3882 0.8528 0.8533 3.1016 3.1017 4.3316 4.3356 4.7050 4.7081 5.9930 5.9965 6.0739 6.0748 7.0040 7.0048 7.3630 7.3635 8.8491 8.8549 8.8683 8.8714 10.3409 10.3453 10.3629 10.3645 17.3123 17.3135 18.7594 18.7615 21.4836 21.4882 22.1424 22.1451 k = 0.0000 0.4999 0.1571 ( 1518 PWs) bands (ev): -7.8948 -7.8948 -5.9687 -5.9687 -1.9908 -1.9907 -0.4172 -0.4167 0.9372 0.9378 3.0467 3.0468 4.3129 4.3169 4.7205 4.7235 6.0836 6.0871 6.0896 6.0903 6.9313 6.9319 7.3871 7.3880 8.8383 8.8441 8.8459 8.8489 10.3516 10.3560 10.3767 10.3783 17.4079 17.4092 18.8579 18.8603 21.4851 21.4901 22.1238 22.1267 k = 0.0000 0.4999 0.1683 ( 1508 PWs) bands (ev): -7.8704 -7.8704 -5.9503 -5.9503 -2.0993 -2.0992 -0.4483 -0.4478 1.0210 1.0217 2.9960 2.9962 4.2966 4.3007 4.7383 4.7412 6.0841 6.0844 6.1724 6.1757 6.8583 6.8588 7.4305 7.4318 8.8211 8.8230 8.8246 8.8281 10.3650 10.3695 10.3920 10.3936 17.5079 17.5094 18.9605 18.9631 21.4779 21.4830 22.1149 22.1179 k = 0.0000 0.4999 0.1795 ( 1508 PWs) bands (ev): -7.8446 -7.8446 -5.9310 -5.9309 -2.2076 -2.2075 -0.4820 -0.4814 1.1043 1.1050 2.9499 2.9502 4.2825 4.2866 4.7581 4.7610 6.0593 6.0594 6.2569 6.2601 6.7867 6.7870 7.4907 7.4924 8.7967 8.7996 8.8024 8.8078 10.3809 10.3853 10.4085 10.4100 17.6120 17.6135 19.0664 19.0692 21.4613 21.4663 22.1084 22.1084 k = 0.0000 0.4999 0.1907 ( 1508 PWs) bands (ev): -7.8173 -7.8173 -5.9107 -5.9107 -2.3155 -2.3153 -0.5181 -0.5175 1.1871 1.1878 2.9088 2.9091 4.2703 4.2745 4.7798 4.7826 6.0185 6.0186 6.3338 6.3367 6.7194 6.7197 7.5639 7.5658 8.7722 8.7750 8.7789 8.7841 10.3988 10.4032 10.4258 10.4273 17.7195 17.7210 19.1749 19.1780 21.4363 21.4410 22.0661 22.0663 k = 0.0000 0.4999 0.2019 ( 1508 PWs) bands (ev): -7.7887 -7.7887 -5.8896 -5.8895 -2.4227 -2.4225 -0.5566 -0.5560 1.2693 1.2701 2.8728 2.8732 4.2600 4.2642 4.8030 4.8059 5.9652 5.9653 6.3947 6.3968 6.6639 6.6651 7.6455 7.6477 8.7493 8.7520 8.7538 8.7587 10.4184 10.4227 10.4436 10.4451 17.8299 17.8316 19.2853 19.2887 21.4046 21.4089 22.0255 22.0259 k = 0.0000 0.4999 0.2132 ( 1516 PWs) bands (ev): -7.7589 -7.7589 -5.8677 -5.8676 -2.5291 -2.5289 -0.5973 -0.5967 1.3511 1.3520 2.8422 2.8425 4.2510 4.2553 4.8276 4.8304 5.9025 5.9026 6.4193 6.4197 6.6400 6.6429 7.7310 7.7335 8.7284 8.7300 8.7318 8.7337 10.4391 10.4433 10.4615 10.4629 17.9428 17.9445 19.3967 19.4003 21.3683 21.3721 21.9874 21.9880 k = 0.0000 0.4999 0.2244 ( 1516 PWs) bands (ev): -7.7278 -7.7278 -5.8450 -5.8450 -2.6344 -2.6343 -0.6401 -0.6395 1.4326 1.4335 2.8169 2.8173 4.2433 4.2476 4.8532 4.8561 5.8331 5.8332 6.3925 6.3931 6.6611 6.6651 7.8156 7.8183 8.7071 8.7115 8.7144 8.7166 10.4606 10.4648 10.4791 10.4805 18.0576 18.0593 19.5080 19.5119 21.3297 21.3330 21.9526 21.9534 k = 0.0000 0.4999 0.2356 ( 1516 PWs) bands (ev): -7.6957 -7.6956 -5.8218 -5.8217 -2.7386 -2.7385 -0.6847 -0.6841 1.5137 1.5147 2.7970 2.7974 4.2364 4.2407 4.8795 4.8824 5.7591 5.7591 6.3373 6.3381 6.7045 6.7088 7.8937 7.8968 8.6928 8.6967 8.7051 8.7071 10.4825 10.4865 10.4962 10.4975 18.1736 18.1755 19.6181 19.6224 21.2910 21.2936 21.9218 21.9227 k = 0.0000 0.4999 0.2468 ( 1518 PWs) bands (ev): -7.6625 -7.6624 -5.7980 -5.7980 -2.8414 -2.8413 -0.7309 -0.7304 1.5945 1.5955 2.7824 2.7828 4.2299 4.2343 4.9059 4.9089 5.6822 5.6823 6.2728 6.2736 6.7499 6.7543 7.9592 7.9626 8.6910 8.6944 8.7032 8.7051 10.5041 10.5082 10.5125 10.5136 18.2904 18.2923 19.7257 19.7303 21.2540 21.2561 21.8956 21.8968 k = 0.0000 0.4999 0.2580 ( 1518 PWs) bands (ev): -7.6284 -7.6283 -5.7738 -5.7738 -2.9426 -2.9425 -0.7785 -0.7779 1.6751 1.6761 2.7731 2.7735 4.2234 4.2278 4.9318 4.9349 5.6042 5.6045 6.2061 6.2068 6.7895 6.7939 8.0058 8.0096 8.7072 8.7100 8.7102 8.7121 10.5249 10.5279 10.5284 10.5293 18.4073 18.4092 19.8290 19.8341 21.2209 21.2224 21.8748 21.8761 k = 0.0000 0.4999 0.2693 ( 1518 PWs) bands (ev): -7.5934 -7.5934 -5.7493 -5.7493 -3.0420 -3.0419 -0.8270 -0.8265 1.7554 1.7566 2.7690 2.7693 4.2164 4.2209 4.9558 4.9591 5.5271 5.5276 6.1401 6.1406 6.8200 6.8243 8.0294 8.0334 8.7268 8.7284 8.7452 8.7478 10.5402 10.5417 10.5463 10.5495 18.5236 18.5256 19.9264 19.9320 21.1937 21.1945 21.8597 21.8612 k = 0.0000 0.4999 0.2805 ( 1524 PWs) bands (ev): -7.5579 -7.5578 -5.7246 -5.7246 -3.1394 -3.1393 -0.8763 -0.8757 1.8357 1.8369 2.7697 2.7700 4.2083 4.2129 4.9759 4.9794 5.4536 5.4544 6.0761 6.0766 6.8399 6.8442 8.0305 8.0345 8.7536 8.7551 8.8041 8.8064 10.5519 10.5532 10.5652 10.5686 18.6388 18.6408 20.0156 20.0216 21.1742 21.1745 21.8481 21.8497 k = 0.0000 0.4999 0.2917 ( 1524 PWs) bands (ev): -7.5217 -7.5217 -5.6998 -5.6998 -3.2345 -3.2344 -0.9258 -0.9253 1.9158 1.9171 2.7752 2.7755 4.1987 4.2033 4.9883 4.9920 5.3879 5.3890 6.0154 6.0158 6.8490 6.8532 8.0130 8.0171 8.7907 8.7921 8.8796 8.8817 10.5613 10.5626 10.5828 10.5861 18.7521 18.7542 20.0944 20.1008 21.1645 21.1647 21.7929 21.7950 k = 0.0000 0.4999 0.3029 ( 1524 PWs) bands (ev): -7.4852 -7.4852 -5.6751 -5.6750 -3.3273 -3.3272 -0.9754 -0.9749 1.9958 1.9972 2.7853 2.7856 4.1870 4.1915 4.9868 4.9907 5.3366 5.3379 5.9587 5.9590 6.8475 6.8515 7.9823 7.9863 8.8375 8.8389 8.9665 8.9685 10.5685 10.5697 10.5986 10.6018 18.8629 18.8650 20.1607 20.1674 21.1662 21.1668 21.7091 21.7118 k = 0.0000 0.4999 0.3141 ( 1524 PWs) bands (ev): -7.4486 -7.4485 -5.6505 -5.6505 -3.4173 -3.4172 -1.0247 -1.0242 2.0758 2.0772 2.7997 2.7999 4.1724 4.1769 4.9650 4.9687 5.3067 5.3079 5.9067 5.9070 6.8360 6.8400 7.9427 7.9465 8.8931 8.8945 9.0604 9.0623 10.5730 10.5742 10.6124 10.6155 18.9706 18.9728 20.2131 20.2201 21.1804 21.1812 21.6238 21.6266 k = 0.0000 0.4999 0.3254 ( 1524 PWs) bands (ev): -7.4119 -7.4118 -5.6263 -5.6262 -3.5043 -3.5042 -1.0732 -1.0728 2.1558 2.1572 2.8181 2.8183 4.1544 4.1590 4.9212 4.9245 5.2997 5.3005 5.8602 5.8604 6.8158 6.8196 7.8972 7.9009 8.9563 8.9577 9.1579 9.1599 10.5748 10.5760 10.6238 10.6268 19.0748 19.0770 20.2516 20.2586 21.2063 21.2069 21.5382 21.5411 k = 0.0000 0.4999 0.3366 ( 1524 PWs) bands (ev): -7.3754 -7.3754 -5.6026 -5.6025 -3.5882 -3.5881 -1.1207 -1.1203 2.2357 2.2372 2.8403 2.8405 4.1325 4.1371 4.8613 4.8640 5.3100 5.3104 5.8197 5.8199 6.7880 6.7917 7.8484 7.8519 9.0258 9.0272 9.2569 9.2589 10.5736 10.5748 10.6326 10.6356 19.1748 19.1772 20.2774 20.2842 21.2407 21.2410 21.4528 21.4558 k = 0.0000 0.4999 0.3478 ( 1528 PWs) bands (ev): -7.3394 -7.3394 -5.5794 -5.5794 -3.6685 -3.6684 -1.1667 -1.1663 2.3156 2.3172 2.8660 2.8662 4.1063 4.1108 4.7919 4.7942 5.3306 5.3306 5.7856 5.7858 6.7540 6.7575 7.7976 7.8009 9.1003 9.1017 9.3558 9.3578 10.5693 10.5704 10.6387 10.6416 19.2705 19.2728 20.2925 20.2991 21.2768 21.2775 21.3679 21.3709 k = 0.0000 0.4999 0.3590 ( 1528 PWs) bands (ev): -7.3041 -7.3041 -5.5571 -5.5571 -3.7450 -3.7449 -1.2110 -1.2107 2.3954 2.3970 2.8949 2.8951 4.0754 4.0798 4.7180 4.7199 5.3566 5.3568 5.7582 5.7584 6.7151 6.7184 7.7463 7.7494 9.1783 9.1797 9.4535 9.4555 10.5617 10.5628 10.6418 10.6446 19.3616 19.3640 20.2999 20.3062 21.2836 21.2862 21.3007 21.3021 k = 0.0000 0.4999 0.3702 ( 1528 PWs) bands (ev): -7.2698 -7.2698 -5.5358 -5.5358 -3.8174 -3.8173 -1.2532 -1.2529 2.4751 2.4768 2.9266 2.9268 4.0396 4.0439 4.6423 4.6440 5.3855 5.3859 5.7377 5.7379 6.6724 6.6755 7.6953 7.6982 9.2588 9.2602 9.5492 9.5511 10.5506 10.5517 10.6418 10.6445 19.4479 19.4503 20.3020 20.3078 21.2005 21.2034 21.2876 21.2897 k = 0.0000 0.4999 0.3814 ( 1528 PWs) bands (ev): -7.2368 -7.2368 -5.5156 -5.5155 -3.8853 -3.8852 -1.2930 -1.2927 2.5547 2.5565 2.9608 2.9608 3.9990 4.0032 4.5665 4.5680 5.4157 5.4162 5.7238 5.7241 6.6271 6.6300 7.6455 7.6481 9.3405 9.3419 9.6421 9.6441 10.5360 10.5371 10.6383 10.6410 19.5296 19.5320 20.3010 20.3064 21.1188 21.1217 21.2400 21.2413 k = 0.0000 0.4999 0.3927 ( 1528 PWs) bands (ev): -7.2055 -7.2055 -5.4967 -5.4966 -3.9483 -3.9482 -1.3300 -1.3297 2.6340 2.6359 2.9968 2.9969 3.9536 3.9577 4.4920 4.4933 5.4460 5.4466 5.7163 5.7167 6.5802 6.5830 7.5976 7.6000 9.4224 9.4238 9.7318 9.7338 10.5178 10.5190 10.6314 10.6340 19.6067 19.6092 20.2984 20.3034 21.0388 21.0417 21.1794 21.1799 k = 0.0000 0.4999 0.4039 ( 1524 PWs) bands (ev): -7.1761 -7.1761 -5.4792 -5.4792 -4.0061 -4.0060 -1.3640 -1.3638 2.7130 2.7150 3.0343 3.0343 3.9038 3.9077 4.4196 4.4207 5.4756 5.4762 5.7148 5.7152 6.5328 6.5354 7.5523 7.5545 9.5036 9.5050 9.8178 9.8198 10.4960 10.4972 10.6209 10.6234 19.6796 19.6821 20.2957 20.3002 20.9609 20.9638 21.1168 21.1168 k = 0.0000 0.4999 0.4151 ( 1516 PWs) bands (ev): -7.1491 -7.1490 -5.4634 -5.4634 -4.0583 -4.0582 -1.3947 -1.3945 2.7915 2.7935 3.0725 3.0725 3.8501 3.8538 4.3504 4.3514 5.5037 5.5043 5.7185 5.7190 6.4859 6.4883 7.5103 7.5123 9.5833 9.5847 9.8999 9.9019 10.4707 10.4719 10.6066 10.6091 19.7483 19.7508 20.2935 20.2975 20.8856 20.8885 21.0563 21.0566 k = 0.0000 0.4999 0.4263 ( 1512 PWs) bands (ev): -7.1247 -7.1247 -5.4493 -5.4493 -4.1045 -4.1044 -1.4218 -1.4216 2.8692 2.8713 3.1105 3.1105 3.7930 3.7965 4.2852 4.2861 5.5298 5.5303 5.7264 5.7270 6.4405 6.4427 7.4722 7.4740 9.6603 9.6617 9.9774 9.9794 10.4421 10.4433 10.5885 10.5909 19.8130 19.8155 20.2922 20.2958 20.8135 20.8163 21.0004 21.0009 k = 0.0000 0.4999 0.4375 ( 1512 PWs) bands (ev): -7.1034 -7.1033 -5.4372 -5.4371 -4.1443 -4.1443 -1.4452 -1.4451 2.9457 2.9478 3.1472 3.1473 3.7332 3.7366 4.2254 4.2262 5.5531 5.5536 5.7375 5.7381 6.3978 6.3998 7.4387 7.4402 9.7338 9.7351 10.0501 10.0521 10.4107 10.4118 10.5668 10.5691 19.8735 19.8758 20.2921 20.2952 20.7456 20.7482 20.9504 20.9510 k = 0.0000 0.4999 0.4488 ( 1506 PWs) bands (ev): -7.0854 -7.0854 -5.4270 -5.4270 -4.1774 -4.1774 -1.4646 -1.4645 3.0202 3.0224 3.1814 3.1814 3.6719 3.6750 4.1725 4.1730 5.5731 5.5735 5.7504 5.7510 6.3593 6.3609 7.4104 7.4116 9.8023 9.8036 10.1174 10.1194 10.3772 10.3783 10.5416 10.5438 19.9291 19.9313 20.2930 20.2956 20.6830 20.6854 20.9075 20.9080 k = 0.0000 0.4999 0.4600 ( 1506 PWs) bands (ev): -7.0710 -7.0710 -5.4190 -5.4190 -4.2036 -4.2036 -1.4798 -1.4797 3.0915 3.0936 3.2111 3.2112 3.6106 3.6135 4.1280 4.1284 5.5892 5.5896 5.7635 5.7640 6.3264 6.3277 7.3877 7.3886 9.8641 9.8652 10.1785 10.1804 10.3432 10.3442 10.5135 10.5156 19.9783 19.9803 20.2946 20.2966 20.6278 20.6299 20.8726 20.8731 k = 0.0000 0.4999 0.4712 ( 1508 PWs) bands (ev): -7.0606 -7.0606 -5.4133 -5.4133 -4.2224 -4.2224 -1.4908 -1.4908 3.1565 3.1585 3.2345 3.2346 3.5528 3.5552 4.0941 4.0944 5.6012 5.6014 5.7749 5.7753 6.3010 6.3019 7.3712 7.3718 9.9158 9.9167 10.2315 10.2332 10.3116 10.3124 10.4844 10.4862 20.0187 20.0201 20.2964 20.2978 20.5831 20.5847 20.8468 20.8472 k = 0.0000 0.4999 0.4824 ( 1504 PWs) bands (ev): -7.0543 -7.0543 -5.4098 -5.4098 -4.2338 -4.2338 -1.4975 -1.4974 3.2080 3.2093 3.2497 3.2497 3.5062 3.5077 4.0727 4.0729 5.6085 5.6087 5.7829 5.7831 6.2849 6.2854 7.3612 7.3615 9.9522 9.9527 10.2718 10.2729 10.2876 10.2881 10.4589 10.4601 20.0461 20.0469 20.2979 20.2986 20.5534 20.5543 20.8310 20.8312 k = 0.0000 0.4999 0.4936 ( 1508 PWs) bands (ev): -7.0522 -7.0522 -5.4086 -5.4086 -4.2377 -4.2377 -1.4997 -1.4997 3.2299 3.2299 3.2549 3.2549 3.4870 3.4870 4.0654 4.0654 5.6110 5.6110 5.7857 5.7857 6.2795 6.2795 7.3579 7.3579 9.9658 9.9658 10.2785 10.2785 10.2887 10.2887 10.4480 10.4480 20.0562 20.0562 20.2987 20.2987 20.5431 20.5431 20.8257 20.8257 k = 0.5000-0.0000 0.4936 ( 1508 PWs) bands (ev): -6.4136 -6.4136 -6.4134 -6.4134 -2.9279 -2.9279 -2.9279 -2.9279 2.9720 2.9720 2.9721 2.9721 4.9972 4.9972 4.9983 4.9983 5.5065 5.5065 5.5066 5.5066 6.8730 6.8730 6.8733 6.8733 8.6498 8.6498 8.6512 8.6512 11.2602 11.2602 11.2602 11.2602 19.2086 19.2086 19.2098 19.2098 21.5692 21.5692 21.5707 21.5707 k = 0.5000-0.0000 0.4824 ( 1504 PWs) bands (ev): -6.4151 -6.4151 -6.4150 -6.4150 -2.9249 -2.9249 -2.9248 -2.9248 2.9702 2.9702 2.9705 2.9705 4.9942 4.9942 4.9954 4.9954 5.5099 5.5099 5.5102 5.5102 6.8768 6.8768 6.8771 6.8771 8.6460 8.6460 8.6475 8.6475 11.2591 11.2591 11.2592 11.2592 19.2103 19.2103 19.2115 19.2115 21.5633 21.5633 21.5648 21.5648 k = 0.5000-0.0000 0.4712 ( 1508 PWs) bands (ev): -6.4197 -6.4197 -6.4195 -6.4195 -2.9158 -2.9158 -2.9157 -2.9157 2.9651 2.9651 2.9654 2.9654 4.9853 4.9853 4.9865 4.9865 5.5201 5.5201 5.5206 5.5206 6.8881 6.8881 6.8884 6.8884 8.6348 8.6348 8.6363 8.6363 11.2559 11.2559 11.2560 11.2560 19.2155 19.2155 19.2167 19.2167 21.5459 21.5459 21.5476 21.5476 k = 0.5000-0.0000 0.4600 ( 1506 PWs) bands (ev): -6.4273 -6.4273 -6.4271 -6.4271 -2.9008 -2.9008 -2.9007 -2.9007 2.9566 2.9566 2.9570 2.9570 4.9709 4.9709 4.9722 4.9722 5.5369 5.5369 5.5375 5.5375 6.9066 6.9066 6.9069 6.9069 8.6162 8.6162 8.6177 8.6177 11.2505 11.2505 11.2507 11.2507 19.2240 19.2240 19.2252 19.2252 21.5183 21.5183 21.5203 21.5203 k = 0.5000-0.0000 0.4488 ( 1506 PWs) bands (ev): -6.4377 -6.4377 -6.4375 -6.4375 -2.8798 -2.8798 -2.8797 -2.8797 2.9450 2.9450 2.9455 2.9455 4.9515 4.9515 4.9530 4.9530 5.5598 5.5598 5.5606 5.5606 6.9321 6.9321 6.9324 6.9324 8.5904 8.5904 8.5919 8.5919 11.2431 11.2431 11.2433 11.2433 19.2356 19.2356 19.2369 19.2369 21.4819 21.4819 21.4841 21.4841 k = 0.5000-0.0000 0.4375 ( 1512 PWs) bands (ev): -6.4509 -6.4509 -6.4507 -6.4507 -2.8532 -2.8532 -2.8531 -2.8531 2.9305 2.9305 2.9311 2.9311 4.9279 4.9279 4.9294 4.9294 5.5885 5.5885 5.5893 5.5893 6.9640 6.9640 6.9643 6.9643 8.5577 8.5577 8.5591 8.5591 11.2334 11.2334 11.2337 11.2337 19.2503 19.2503 19.2516 19.2516 21.4376 21.4376 21.4401 21.4401 k = 0.5000-0.0000 0.4263 ( 1516 PWs) bands (ev): -6.4667 -6.4667 -6.4665 -6.4665 -2.8211 -2.8211 -2.8210 -2.8210 2.9133 2.9133 2.9140 2.9140 4.9005 4.9005 4.9021 4.9021 5.6223 5.6223 5.6232 5.6232 7.0017 7.0017 7.0021 7.0021 8.5182 8.5182 8.5197 8.5197 11.2217 11.2217 11.2220 11.2220 19.2677 19.2677 19.2691 19.2691 21.3865 21.3865 21.3891 21.3891 k = 0.5000-0.0000 0.4151 ( 1516 PWs) bands (ev): -6.4848 -6.4848 -6.4847 -6.4847 -2.7837 -2.7837 -2.7836 -2.7836 2.8938 2.8938 2.8946 2.8946 4.8700 4.8700 4.8717 4.8717 5.6609 5.6609 5.6618 5.6618 7.0447 7.0447 7.0451 7.0451 8.4726 8.4726 8.4741 8.4741 11.2078 11.2078 11.2081 11.2081 19.2875 19.2875 19.2889 19.2889 21.3291 21.3291 21.3319 21.3319 k = 0.5000-0.0000 0.4039 ( 1524 PWs) bands (ev): -6.5052 -6.5052 -6.5050 -6.5050 -2.7413 -2.7413 -2.7412 -2.7412 2.8722 2.8722 2.8731 2.8731 4.8371 4.8371 4.8388 4.8388 5.7036 5.7036 5.7045 5.7045 7.0924 7.0924 7.0928 7.0928 8.4210 8.4210 8.4225 8.4225 11.1917 11.1917 11.1921 11.1921 19.3091 19.3091 19.3107 19.3107 21.2661 21.2661 21.2690 21.2690 k = 0.5000-0.0000 0.3927 ( 1528 PWs) bands (ev): -6.5275 -6.5275 -6.5273 -6.5273 -2.6942 -2.6942 -2.6940 -2.6940 2.8489 2.8489 2.8499 2.8499 4.8022 4.8022 4.8039 4.8039 5.7501 5.7501 5.7510 5.7510 7.1440 7.1440 7.1444 7.1444 8.3643 8.3643 8.3658 8.3658 11.1735 11.1735 11.1739 11.1739 19.3322 19.3322 19.3339 19.3339 21.1984 21.1984 21.2015 21.2015 k = 0.5000-0.0000 0.3814 ( 1528 PWs) bands (ev): -6.5515 -6.5515 -6.5514 -6.5514 -2.6425 -2.6425 -2.6423 -2.6423 2.8242 2.8242 2.8253 2.8253 4.7657 4.7657 4.7674 4.7674 5.7998 5.7998 5.8007 5.8007 7.1988 7.1988 7.1992 7.1992 8.3031 8.3031 8.3047 8.3047 11.1532 11.1532 11.1537 11.1537 19.3558 19.3558 19.3577 19.3577 21.1270 21.1270 21.1303 21.1303 k = 0.5000-0.0000 0.3702 ( 1528 PWs) bands (ev): -6.5771 -6.5771 -6.5769 -6.5769 -2.5868 -2.5868 -2.5866 -2.5866 2.7984 2.7984 2.7996 2.7996 4.7281 4.7281 4.7299 4.7299 5.8521 5.8521 5.8530 5.8530 7.2559 7.2559 7.2564 7.2564 8.2384 8.2384 8.2400 8.2400 11.1308 11.1308 11.1313 11.1313 19.3791 19.3791 19.3811 19.3811 21.0533 21.0533 21.0567 21.0567 k = 0.5000-0.0000 0.3590 ( 1528 PWs) bands (ev): -6.6039 -6.6039 -6.6037 -6.6037 -2.5272 -2.5272 -2.5269 -2.5269 2.7719 2.7719 2.7732 2.7732 4.6898 4.6898 4.6916 4.6916 5.9064 5.9064 5.9073 5.9073 7.3141 7.3141 7.3147 7.3147 8.1715 8.1715 8.1731 8.1731 11.1063 11.1063 11.1068 11.1068 19.4007 19.4007 19.4029 19.4029 20.9787 20.9787 20.9823 20.9823 k = 0.5000-0.0000 0.3478 ( 1528 PWs) bands (ev): -6.6317 -6.6317 -6.6316 -6.6316 -2.4640 -2.4640 -2.4637 -2.4637 2.7449 2.7449 2.7463 2.7463 4.6511 4.6511 4.6529 4.6529 5.9622 5.9622 5.9631 5.9631 7.3721 7.3721 7.3727 7.3727 8.1042 8.1042 8.1059 8.1059 11.0797 11.0797 11.0803 11.0803 19.4192 19.4192 19.4216 19.4216 20.9052 20.9052 20.9091 20.9091 k = 0.5000-0.0000 0.3366 ( 1524 PWs) bands (ev): -6.6604 -6.6604 -6.6602 -6.6602 -2.3976 -2.3976 -2.3973 -2.3973 2.7178 2.7178 2.7192 2.7192 4.6123 4.6123 4.6141 4.6141 6.0184 6.0184 6.0193 6.0193 7.4273 7.4273 7.4281 7.4281 8.0394 8.0394 8.0412 8.0412 11.0511 11.0511 11.0517 11.0517 19.4325 19.4325 19.4352 19.4352 20.8353 20.8353 20.8394 20.8394 k = 0.5000-0.0000 0.3254 ( 1524 PWs) bands (ev): -6.6897 -6.6897 -6.6895 -6.6895 -2.3284 -2.3284 -2.3281 -2.3281 2.6907 2.6907 2.6923 2.6923 4.5737 4.5737 4.5755 4.5755 6.0741 6.0741 6.0750 6.0750 7.4757 7.4757 7.4765 7.4765 7.9820 7.9820 7.9839 7.9839 11.0205 11.0205 11.0211 11.0211 19.4385 19.4385 19.4413 19.4413 20.7717 20.7717 20.7761 20.7761 k = 0.5000-0.0000 0.3141 ( 1524 PWs) bands (ev): -6.7194 -6.7194 -6.7193 -6.7193 -2.2565 -2.2565 -2.2562 -2.2562 2.6641 2.6641 2.6657 2.6657 4.5354 4.5354 4.5373 4.5373 6.1281 6.1281 6.1291 6.1291 7.5102 7.5102 7.5111 7.5111 7.9401 7.9401 7.9420 7.9420 10.9879 10.9879 10.9886 10.9886 19.4345 19.4345 19.4376 19.4376 20.7174 20.7174 20.7220 20.7220 k = 0.5000-0.0000 0.3029 ( 1524 PWs) bands (ev): -6.7494 -6.7494 -6.7492 -6.7492 -2.1824 -2.1824 -2.1821 -2.1821 2.6380 2.6380 2.6397 2.6397 4.4978 4.4978 4.4998 4.4998 6.1787 6.1787 6.1798 6.1798 7.5221 7.5221 7.5230 7.5230 7.9238 7.9238 7.9256 7.9256 10.9534 10.9534 10.9541 10.9541 19.4184 19.4184 19.4216 19.4216 20.6752 20.6752 20.6800 20.6800 k = 0.5000-0.0000 0.2917 ( 1524 PWs) bands (ev): -6.7794 -6.7794 -6.7793 -6.7793 -2.1064 -2.1064 -2.1060 -2.1060 2.6127 2.6127 2.6145 2.6145 4.4610 4.4610 4.4630 4.4630 6.2240 6.2240 6.2253 6.2253 7.5083 7.5083 7.5090 7.5090 7.9382 7.9382 7.9397 7.9397 10.9170 10.9170 10.9177 10.9177 19.3882 19.3882 19.3915 19.3915 20.6474 20.6474 20.6523 20.6523 k = 0.5000-0.0000 0.2805 ( 1524 PWs) bands (ev): -6.8094 -6.8094 -6.8092 -6.8092 -2.0287 -2.0287 -2.0283 -2.0283 2.5885 2.5885 2.5903 2.5903 4.4252 4.4252 4.4273 4.4273 6.2614 6.2614 6.2628 6.2628 7.4767 7.4767 7.4775 7.4775 7.9776 7.9776 7.9788 7.9788 10.8788 10.8788 10.8796 10.8796 19.3434 19.3434 19.3467 19.3467 20.6349 20.6349 20.6398 20.6398 k = 0.5000-0.0000 0.2693 ( 1518 PWs) bands (ev): -6.8390 -6.8390 -6.8389 -6.8389 -1.9498 -1.9498 -1.9494 -1.9494 2.5655 2.5655 2.5674 2.5674 4.3906 4.3906 4.3927 4.3927 6.2877 6.2877 6.2892 6.2892 7.4399 7.4399 7.4409 7.4409 8.0323 8.0323 8.0333 8.0333 10.8388 10.8388 10.8396 10.8396 19.2846 19.2846 19.2878 19.2878 20.6376 20.6376 20.6425 20.6425 k = 0.5000-0.0000 0.2580 ( 1518 PWs) bands (ev): -6.8684 -6.8684 -6.8682 -6.8682 -1.8699 -1.8699 -1.8695 -1.8695 2.5439 2.5439 2.5459 2.5459 4.3573 4.3573 4.3595 4.3595 6.2995 6.2995 6.3011 6.3011 7.4082 7.4082 7.4093 7.4093 8.0956 8.0956 8.0965 8.0965 10.7972 10.7972 10.7980 10.7980 19.2134 19.2134 19.2164 19.2164 20.6540 20.6540 20.6588 20.6588 k = 0.5000-0.0000 0.2468 ( 1518 PWs) bands (ev): -6.8972 -6.8972 -6.8970 -6.8970 -1.7894 -1.7894 -1.7890 -1.7890 2.5239 2.5239 2.5260 2.5260 4.3255 4.3255 4.3277 4.3277 6.2936 6.2936 6.2954 6.2954 7.3882 7.3882 7.3894 7.3894 8.1636 8.1636 8.1644 8.1644 10.7539 10.7539 10.7547 10.7547 19.1321 19.1321 19.1349 19.1349 20.6821 20.6821 20.6868 20.6868 k = 0.5000-0.0000 0.2356 ( 1516 PWs) bands (ev): -6.9253 -6.9253 -6.9252 -6.9252 -1.7087 -1.7087 -1.7082 -1.7082 2.5057 2.5057 2.5079 2.5079 4.2953 4.2953 4.2976 4.2976 6.2684 6.2684 6.2703 6.2703 7.3839 7.3839 7.3852 7.3852 8.2342 8.2342 8.2349 8.2349 10.7090 10.7090 10.7099 10.7099 19.0430 19.0430 19.0456 19.0456 20.7198 20.7198 20.7244 20.7244 k = 0.5000-0.0000 0.2244 ( 1516 PWs) bands (ev): -6.9528 -6.9528 -6.9527 -6.9527 -1.6281 -1.6281 -1.6275 -1.6275 2.4893 2.4893 2.4916 2.4916 4.2668 4.2668 4.2692 4.2692 6.2242 6.2242 6.2261 6.2261 7.3962 7.3962 7.3975 7.3975 8.3059 8.3059 8.3065 8.3065 10.6627 10.6627 10.6636 10.6636 18.9484 18.9484 18.9508 18.9508 20.7648 20.7648 20.7693 20.7693 k = 0.5000-0.0000 0.2132 ( 1516 PWs) bands (ev): -6.9794 -6.9794 -6.9793 -6.9793 -1.5479 -1.5479 -1.5473 -1.5473 2.4749 2.4749 2.4773 2.4773 4.2403 4.2403 4.2428 4.2428 6.1630 6.1630 6.1649 6.1649 7.4238 7.4238 7.4251 7.4251 8.3779 8.3779 8.3786 8.3786 10.6150 10.6150 10.6160 10.6160 18.8503 18.8503 18.8525 18.8525 20.8154 20.8154 20.8198 20.8198 k = 0.5000-0.0000 0.2019 ( 1508 PWs) bands (ev): -7.0051 -7.0051 -7.0050 -7.0050 -1.4685 -1.4685 -1.4679 -1.4679 2.4627 2.4627 2.4651 2.4651 4.2159 4.2159 4.2184 4.2184 6.0878 6.0878 6.0898 6.0898 7.4642 7.4642 7.4654 7.4654 8.4496 8.4496 8.4503 8.4503 10.5661 10.5661 10.5671 10.5671 18.7503 18.7503 18.7523 18.7523 20.8699 20.8699 20.8742 20.8742 k = 0.5000-0.0000 0.1907 ( 1508 PWs) bands (ev): -7.0298 -7.0298 -7.0297 -7.0297 -1.3904 -1.3904 -1.3898 -1.3898 2.4526 2.4526 2.4551 2.4551 4.1936 4.1936 4.1962 4.1962 6.0019 6.0019 6.0039 6.0039 7.5144 7.5144 7.5156 7.5156 8.5204 8.5204 8.5211 8.5211 10.5160 10.5160 10.5170 10.5170 18.6498 18.6498 18.6516 18.6516 20.9267 20.9267 20.9310 20.9310 k = 0.5000-0.0000 0.1795 ( 1508 PWs) bands (ev): -7.0535 -7.0535 -7.0534 -7.0534 -1.3139 -1.3139 -1.3132 -1.3132 2.4448 2.4448 2.4474 2.4474 4.1737 4.1737 4.1764 4.1764 5.9081 5.9081 5.9101 5.9101 7.5720 7.5720 7.5731 7.5731 8.5899 8.5899 8.5906 8.5906 10.4649 10.4649 10.4659 10.4659 18.5500 18.5500 18.5517 18.5517 20.9846 20.9846 20.9889 20.9889 k = 0.5000-0.0000 0.1683 ( 1508 PWs) bands (ev): -7.0760 -7.0760 -7.0759 -7.0759 -1.2394 -1.2394 -1.2386 -1.2386 2.4392 2.4392 2.4419 2.4419 4.1564 4.1564 4.1592 4.1592 5.8088 5.8088 5.8108 5.8108 7.6349 7.6349 7.6359 7.6359 8.6576 8.6576 8.6583 8.6583 10.4129 10.4129 10.4139 10.4139 18.4519 18.4519 18.4534 18.4534 21.0425 21.0425 21.0468 21.0468 k = 0.5000-0.0000 0.1571 ( 1518 PWs) bands (ev): -7.0973 -7.0973 -7.0972 -7.0972 -1.1672 -1.1672 -1.1665 -1.1665 2.4359 2.4359 2.4387 2.4387 4.1418 4.1418 4.1446 4.1446 5.7058 5.7058 5.7078 5.7078 7.7012 7.7012 7.7022 7.7022 8.7233 8.7233 8.7240 8.7240 10.3603 10.3603 10.3613 10.3613 18.3563 18.3563 18.3577 18.3577 21.0991 21.0991 21.1034 21.1034 k = 0.5000-0.0000 0.1458 ( 1518 PWs) bands (ev): -7.1173 -7.1173 -7.1172 -7.1172 -1.0979 -1.0979 -1.0971 -1.0971 2.4349 2.4349 2.4378 2.4378 4.1301 4.1301 4.1331 4.1331 5.6007 5.6007 5.6028 5.6028 7.7698 7.7698 7.7707 7.7707 8.7864 8.7864 8.7871 8.7871 10.3072 10.3072 10.3082 10.3082 18.2641 18.2641 18.2655 18.2655 21.1537 21.1537 21.1580 21.1580 k = 0.5000-0.0000 0.1346 ( 1512 PWs) bands (ev): -7.1360 -7.1360 -7.1359 -7.1359 -1.0318 -1.0318 -1.0310 -1.0310 2.4360 2.4360 2.4390 2.4390 4.1217 4.1217 4.1247 4.1247 5.4949 5.4949 5.4970 5.4970 7.8393 7.8393 7.8402 7.8402 8.8468 8.8468 8.8475 8.8475 10.2539 10.2539 10.2549 10.2549 18.1761 18.1761 18.1773 18.1773 21.2052 21.2052 21.2095 21.2095 k = 0.5000-0.0000 0.1234 ( 1504 PWs) bands (ev): -7.1534 -7.1534 -7.1533 -7.1533 -0.9693 -0.9693 -0.9684 -0.9684 2.4391 2.4391 2.4421 2.4421 4.1166 4.1166 4.1197 4.1197 5.3892 5.3892 5.3913 5.3913 7.9090 7.9090 7.9097 7.9097 8.9040 8.9040 8.9048 8.9048 10.2007 10.2007 10.2017 10.2017 18.0927 18.0927 18.0938 18.0938 21.2530 21.2530 21.2571 21.2571 k = 0.5000-0.0000 0.1122 ( 1504 PWs) bands (ev): -7.1694 -7.1694 -7.1693 -7.1693 -0.9108 -0.9108 -0.9099 -0.9099 2.4439 2.4439 2.4470 2.4470 4.1151 4.1151 4.1183 4.1183 5.2847 5.2847 5.2869 5.2869 7.9777 7.9777 7.9784 7.9784 8.9577 8.9577 8.9585 8.9585 10.1480 10.1480 10.1490 10.1490 18.0146 18.0146 18.0155 18.0155 21.2962 21.2962 21.3003 21.3003 k = 0.5000-0.0000 0.1010 ( 1504 PWs) bands (ev): -7.1840 -7.1840 -7.1839 -7.1839 -0.8567 -0.8567 -0.8557 -0.8557 2.4503 2.4503 2.4534 2.4534 4.1175 4.1175 4.1208 4.1208 5.1822 5.1822 5.1845 5.1845 8.0447 8.0447 8.0453 8.0453 9.0077 9.0077 9.0085 9.0085 10.0963 10.0963 10.0973 10.0973 17.9422 17.9422 17.9431 17.9431 21.3346 21.3346 21.3385 21.3385 k = 0.5000-0.0000 0.0898 ( 1496 PWs) bands (ev): -7.1971 -7.1971 -7.1970 -7.1970 -0.8072 -0.8072 -0.8063 -0.8063 2.4577 2.4577 2.4609 2.4609 4.1241 4.1241 4.1274 4.1274 5.0826 5.0826 5.0849 5.0849 8.1091 8.1091 8.1097 8.1097 9.0537 9.0537 9.0545 9.0545 10.0461 10.0461 10.0471 10.0471 17.8762 17.8762 17.8770 17.8770 21.3679 21.3679 21.3716 21.3716 k = 0.5000-0.0000 0.0785 ( 1500 PWs) bands (ev): -7.2087 -7.2087 -7.2087 -7.2087 -0.7628 -0.7628 -0.7619 -0.7619 2.4659 2.4659 2.4692 2.4692 4.1350 4.1350 4.1383 4.1383 4.9865 4.9865 4.9890 4.9890 8.1698 8.1698 8.1704 8.1704 9.0952 9.0952 9.0960 9.0960 9.9980 9.9980 9.9989 9.9989 17.8168 17.8168 17.8175 17.8175 21.3961 21.3961 21.3996 21.3996 k = 0.5000-0.0000 0.0673 ( 1500 PWs) bands (ev): -7.2189 -7.2189 -7.2188 -7.2188 -0.7238 -0.7238 -0.7228 -0.7228 2.4744 2.4744 2.4777 2.4777 4.1503 4.1503 4.1537 4.1537 4.8950 4.8950 4.8975 4.8975 8.2260 8.2260 8.2266 8.2266 9.1321 9.1321 9.1329 9.1329 9.9529 9.9529 9.9538 9.9538 17.7645 17.7645 17.7651 17.7651 21.4194 21.4194 21.4227 21.4227 k = 0.5000-0.0000 0.0561 ( 1500 PWs) bands (ev): -7.2275 -7.2275 -7.2274 -7.2274 -0.6903 -0.6903 -0.6892 -0.6892 2.4827 2.4827 2.4860 2.4860 4.1700 4.1700 4.1735 4.1735 4.8089 4.8089 4.8115 4.8115 8.2766 8.2766 8.2770 8.2770 9.1640 9.1640 9.1648 9.1648 9.9118 9.9118 9.9126 9.9126 17.7196 17.7196 17.7201 17.7201 21.4381 21.4381 21.4412 21.4412 k = 0.5000-0.0000 0.0449 ( 1504 PWs) bands (ev): -7.2346 -7.2346 -7.2345 -7.2345 -0.6625 -0.6625 -0.6615 -0.6615 2.4903 2.4903 2.4937 2.4937 4.1938 4.1938 4.1974 4.1974 4.7295 4.7295 4.7322 4.7322 8.3202 8.3202 8.3206 8.3206 9.1908 9.1908 9.1916 9.1916 9.8756 9.8756 9.8763 9.8763 17.6825 17.6825 17.6829 17.6829 21.4526 21.4526 21.4555 21.4555 k = 0.5000-0.0000 0.0337 ( 1504 PWs) bands (ev): -7.2401 -7.2401 -7.2400 -7.2400 -0.6408 -0.6408 -0.6398 -0.6398 2.4968 2.4968 2.5002 2.5002 4.2206 4.2206 4.2243 4.2243 4.6585 4.6585 4.6614 4.6614 8.3559 8.3559 8.3562 8.3562 9.2121 9.2121 9.2129 9.2129 9.8457 9.8457 9.8463 9.8463 17.6533 17.6533 17.6537 17.6537 21.4634 21.4634 21.4661 21.4661 k = 0.5000-0.0000 0.0224 ( 1512 PWs) bands (ev): -7.2440 -7.2440 -7.2439 -7.2439 -0.6252 -0.6252 -0.6241 -0.6241 2.5018 2.5018 2.5052 2.5052 4.2480 4.2480 4.2517 4.2517 4.5990 4.5990 4.6021 4.6021 8.3824 8.3824 8.3826 8.3826 9.2276 9.2276 9.2284 9.2284 9.8232 9.8232 9.8237 9.8237 17.6324 17.6324 17.6326 17.6326 21.4708 21.4708 21.4732 21.4732 k = 0.5000-0.0000 0.0112 ( 1518 PWs) bands (ev): -7.2464 -7.2464 -7.2463 -7.2463 -0.6158 -0.6158 -0.6147 -0.6147 2.5049 2.5049 2.5083 2.5083 4.2706 4.2706 4.2745 4.2745 4.5569 4.5569 4.5602 4.5602 8.3987 8.3987 8.3989 8.3989 9.2370 9.2370 9.2378 9.2378 9.8092 9.8092 9.8096 9.8096 17.6197 17.6197 17.6199 17.6199 21.4751 21.4751 21.4774 21.4774 k = 0.5000-0.0000-0.0000 ( 1514 PWs) bands (ev): -7.2472 -7.2472 -7.2471 -7.2471 -0.6126 -0.6126 -0.6116 -0.6116 2.5059 2.5059 2.5093 2.5093 4.2799 4.2799 4.2839 4.2839 4.5410 4.5410 4.5444 4.5444 8.4042 8.4042 8.4044 8.4044 9.2402 9.2402 9.2410 9.2410 9.8045 9.8045 9.8048 9.8048 17.6155 17.6155 17.6157 17.6157 21.4765 21.4765 21.4788 21.4788 k = 0.5000 0.4999-0.0000 ( 1508 PWs) bands (ev): -6.4341 -6.4341 -6.4340 -6.4340 -2.7403 -2.7403 -2.7398 -2.7398 3.5454 3.5454 3.5463 3.5463 3.6831 3.6831 3.6845 3.6845 5.4411 5.4411 5.4445 5.4445 6.9365 6.9365 6.9380 6.9380 8.8423 8.8423 8.8450 8.8450 11.5964 11.5964 11.5976 11.5976 20.2425 20.2425 20.2434 20.2434 21.1246 21.1246 21.1265 21.1265 k = 0.5000 0.4999 0.0112 ( 1516 PWs) bands (ev): -6.4334 -6.4334 -6.4333 -6.4333 -2.7395 -2.7395 -2.7390 -2.7390 3.4588 3.4588 3.4598 3.4598 3.7675 3.7675 3.7689 3.7689 5.4306 5.4306 5.4340 5.4340 6.9501 6.9501 6.9515 6.9515 8.8426 8.8426 8.8454 8.8454 11.5968 11.5968 11.5981 11.5981 20.2422 20.2422 20.2431 20.2431 21.1234 21.1234 21.1254 21.1254 k = 0.5000 0.4999 0.0224 ( 1516 PWs) bands (ev): -6.4315 -6.4315 -6.4314 -6.4314 -2.7372 -2.7372 -2.7367 -2.7367 3.3261 3.3261 3.3273 3.3273 3.8933 3.8933 3.8948 3.8948 5.4012 5.4012 5.4045 5.4045 6.9895 6.9895 6.9909 6.9909 8.8438 8.8438 8.8466 8.8466 11.5982 11.5982 11.5995 11.5995 20.2414 20.2414 20.2423 20.2423 21.1199 21.1199 21.1220 21.1220 k = 0.5000 0.4999 0.0337 ( 1516 PWs) bands (ev): -6.4282 -6.4282 -6.4281 -6.4281 -2.7333 -2.7333 -2.7328 -2.7328 3.1882 3.1882 3.1893 3.1893 4.0181 4.0181 4.0197 4.0197 5.3578 5.3578 5.3610 5.3610 7.0514 7.0514 7.0527 7.0527 8.8458 8.8458 8.8486 8.8486 11.6005 11.6005 11.6018 11.6018 20.2402 20.2402 20.2410 20.2410 21.1141 21.1141 21.1162 21.1162 k = 0.5000 0.4999 0.0449 ( 1516 PWs) bands (ev): -6.4236 -6.4236 -6.4235 -6.4235 -2.7278 -2.7278 -2.7273 -2.7273 3.0490 3.0490 3.0500 3.0500 4.1345 4.1345 4.1362 4.1362 5.3080 5.3080 5.3111 5.3111 7.1313 7.1313 7.1325 7.1325 8.8486 8.8486 8.8514 8.8514 11.6037 11.6037 11.6050 11.6050 20.2384 20.2384 20.2392 20.2392 21.1057 21.1057 21.1078 21.1078 k = 0.5000 0.4999 0.0561 ( 1508 PWs) bands (ev): -6.4177 -6.4177 -6.4176 -6.4176 -2.7208 -2.7208 -2.7203 -2.7203 2.9097 2.9097 2.9108 2.9108 4.2357 4.2357 4.2375 4.2375 5.2618 5.2618 5.2647 5.2647 7.2250 7.2250 7.2261 7.2261 8.8523 8.8523 8.8551 8.8551 11.6078 11.6078 11.6091 11.6091 20.2360 20.2360 20.2368 20.2368 21.0945 21.0945 21.0966 21.0966 k = 0.5000 0.4999 0.0673 ( 1516 PWs) bands (ev): -6.4105 -6.4105 -6.4104 -6.4104 -2.7123 -2.7123 -2.7118 -2.7118 2.7710 2.7710 2.7720 2.7720 4.3118 4.3118 4.3138 4.3138 5.2315 5.2315 5.2343 5.2343 7.3289 7.3289 7.3299 7.3299 8.8568 8.8568 8.8597 8.8597 11.6129 11.6129 11.6142 11.6142 20.2328 20.2328 20.2335 20.2335 21.0801 21.0801 21.0823 21.0823 k = 0.5000 0.4999 0.0785 ( 1516 PWs) bands (ev): -6.4021 -6.4021 -6.4020 -6.4020 -2.7023 -2.7023 -2.7018 -2.7018 2.6332 2.6332 2.6343 2.6343 4.3521 4.3521 4.3541 4.3541 5.2306 5.2306 5.2331 5.2331 7.4401 7.4401 7.4411 7.4411 8.8623 8.8623 8.8653 8.8653 11.6188 11.6188 11.6201 11.6201 20.2289 20.2289 20.2295 20.2295 21.0624 21.0624 21.0646 21.0646 k = 0.5000 0.4999 0.0898 ( 1516 PWs) bands (ev): -6.3924 -6.3924 -6.3923 -6.3923 -2.6908 -2.6908 -2.6903 -2.6903 2.4967 2.4967 2.4977 2.4977 4.3498 4.3498 4.3517 4.3517 5.2674 5.2674 5.2696 5.2696 7.5564 7.5564 7.5575 7.5575 8.8689 8.8689 8.8720 8.8720 11.6257 11.6257 11.6270 11.6270 20.2239 20.2239 20.2244 20.2244 21.0409 21.0409 21.0432 21.0432 k = 0.5000 0.4999 0.1010 ( 1516 PWs) bands (ev): -6.3816 -6.3816 -6.3814 -6.3814 -2.6778 -2.6778 -2.6774 -2.6774 2.3616 2.3616 2.3626 2.3626 4.3086 4.3086 4.3104 4.3104 5.3396 5.3396 5.3414 5.3414 7.6762 7.6762 7.6773 7.6773 8.8767 8.8767 8.8799 8.8799 11.6334 11.6334 11.6348 11.6348 20.2179 20.2179 20.2182 20.2182 21.0156 21.0156 21.0180 21.0180 k = 0.5000 0.4999 0.1122 ( 1516 PWs) bands (ev): -6.3695 -6.3695 -6.3694 -6.3694 -2.6635 -2.6635 -2.6630 -2.6630 2.2283 2.2283 2.2293 2.2293 4.2385 4.2385 4.2401 4.2401 5.4379 5.4379 5.4394 5.4394 7.7978 7.7978 7.7990 7.7990 8.8859 8.8859 8.8892 8.8892 11.6421 11.6421 11.6435 11.6435 20.2104 20.2104 20.2107 20.2107 20.9863 20.9863 20.9888 20.9888 k = 0.5000 0.4999 0.1234 ( 1516 PWs) bands (ev): -6.3563 -6.3563 -6.3562 -6.3562 -2.6478 -2.6478 -2.6473 -2.6473 2.0968 2.0968 2.0978 2.0978 4.1495 4.1495 4.1510 4.1510 5.5530 5.5530 5.5543 5.5543 7.9201 7.9201 7.9215 7.9215 8.8968 8.8968 8.9002 8.9002 11.6517 11.6517 11.6532 11.6532 20.2014 20.2014 20.2015 20.2015 20.9532 20.9532 20.9558 20.9558 k = 0.5000 0.4999 0.1346 ( 1516 PWs) bands (ev): -6.3420 -6.3420 -6.3419 -6.3419 -2.6308 -2.6308 -2.6303 -2.6303 1.9673 1.9673 1.9683 1.9683 4.0485 4.0485 4.0500 4.0500 5.6784 5.6784 5.6795 5.6795 8.0419 8.0419 8.0434 8.0434 8.9097 8.9097 8.9133 8.9133 11.6622 11.6622 11.6637 11.6637 20.1903 20.1903 20.1905 20.1905 20.9164 20.9164 20.9191 20.9191 k = 0.5000 0.4999 0.1458 ( 1508 PWs) bands (ev): -6.3267 -6.3267 -6.3265 -6.3265 -2.6125 -2.6125 -2.6120 -2.6120 1.8401 1.8401 1.8411 1.8411 3.9402 3.9402 3.9416 3.9416 5.8100 5.8100 5.8110 5.8110 8.1620 8.1620 8.1636 8.1636 8.9253 8.9253 8.9290 8.9290 11.6736 11.6736 11.6752 11.6752 20.1769 20.1769 20.1772 20.1772 20.8765 20.8765 20.8794 20.8794 k = 0.5000 0.4999 0.1571 ( 1512 PWs) bands (ev): -6.3103 -6.3103 -6.3102 -6.3102 -2.5931 -2.5931 -2.5926 -2.5926 1.7153 1.7153 1.7163 1.7163 3.8271 3.8271 3.8285 3.8285 5.9450 5.9450 5.9460 5.9460 8.2787 8.2787 8.2805 8.2805 8.9445 8.9445 8.9484 8.9484 11.6859 11.6859 11.6875 11.6875 20.1606 20.1606 20.1612 20.1612 20.8340 20.8340 20.8371 20.8371 k = 0.5000 0.4999 0.1683 ( 1508 PWs) bands (ev): -6.2930 -6.2930 -6.2928 -6.2928 -2.5725 -2.5725 -2.5719 -2.5719 1.5930 1.5930 1.5940 1.5940 3.7114 3.7114 3.7127 3.7127 6.0819 6.0819 6.0828 6.0828 8.3904 8.3904 8.3923 8.3923 8.9688 8.9688 8.9729 8.9729 11.6991 11.6991 11.7008 11.7008 20.1411 20.1411 20.1420 20.1420 20.7898 20.7898 20.7932 20.7932 k = 0.5000 0.4999 0.1795 ( 1520 PWs) bands (ev): -6.2748 -6.2748 -6.2746 -6.2746 -2.5509 -2.5509 -2.5503 -2.5503 1.4734 1.4734 1.4745 1.4745 3.5940 3.5940 3.5953 3.5953 6.2194 6.2194 6.2203 6.2203 8.4943 8.4943 8.4965 8.4965 9.0002 9.0002 9.0044 9.0044 11.7132 11.7132 11.7149 11.7149 20.1177 20.1177 20.1188 20.1188 20.7448 20.7448 20.7485 20.7485 k = 0.5000 0.4999 0.1907 ( 1524 PWs) bands (ev): -6.2557 -6.2557 -6.2556 -6.2556 -2.5282 -2.5282 -2.5277 -2.5277 1.3568 1.3568 1.3578 1.3578 3.4759 3.4759 3.4772 3.4772 6.3566 6.3566 6.3576 6.3576 8.5876 8.5876 8.5898 8.5898 9.0415 9.0415 9.0458 9.0458 11.7282 11.7282 11.7300 11.7300 20.0899 20.0899 20.0914 20.0914 20.7001 20.7001 20.7041 20.7041 k = 0.5000 0.4999 0.2019 ( 1524 PWs) bands (ev): -6.2358 -6.2358 -6.2357 -6.2357 -2.5047 -2.5047 -2.5042 -2.5042 1.2432 1.2432 1.2442 1.2442 3.3578 3.3578 3.3591 3.3591 6.4930 6.4930 6.4940 6.4940 8.6670 8.6670 8.6692 8.6692 9.0956 9.0956 9.0997 9.0997 11.7441 11.7441 11.7460 11.7460 20.0572 20.0572 20.0590 20.0590 20.6567 20.6567 20.6611 20.6611 k = 0.5000 0.4999 0.2132 ( 1524 PWs) bands (ev): -6.2153 -6.2153 -6.2152 -6.2152 -2.4805 -2.4805 -2.4799 -2.4799 1.1328 1.1328 1.1339 1.1339 3.2402 3.2402 3.2415 3.2415 6.6278 6.6278 6.6289 6.6289 8.7312 8.7312 8.7333 8.7333 9.1635 9.1635 9.1673 9.1673 11.7608 11.7608 11.7628 11.7628 20.0192 20.0192 20.0212 20.0212 20.6155 20.6155 20.6201 20.6201 k = 0.5000 0.4999 0.2244 ( 1512 PWs) bands (ev): -6.1941 -6.1941 -6.1940 -6.1940 -2.4555 -2.4555 -2.4549 -2.4549 1.0259 1.0259 1.0269 1.0269 3.1236 3.1236 3.1248 3.1248 6.7607 6.7607 6.7619 6.7619 8.7815 8.7815 8.7835 8.7835 9.2436 9.2436 9.2470 9.2470 11.7785 11.7785 11.7805 11.7805 19.9757 19.9757 19.9779 19.9779 20.5772 20.5772 20.5820 20.5820 k = 0.5000 0.4999 0.2356 ( 1512 PWs) bands (ev): -6.1724 -6.1724 -6.1723 -6.1723 -2.4300 -2.4300 -2.4295 -2.4295 0.9226 0.9226 0.9236 0.9236 3.0081 3.0081 3.0094 3.0094 6.8910 6.8910 6.8923 6.8923 8.8209 8.8209 8.8230 8.8230 9.3323 9.3323 9.3352 9.3352 11.7970 11.7970 11.7991 11.7991 19.9268 19.9268 19.9292 19.9292 20.5421 20.5421 20.5471 20.5471 k = 0.5000 0.4999 0.2468 ( 1520 PWs) bands (ev): -6.1503 -6.1503 -6.1502 -6.1502 -2.4042 -2.4042 -2.4036 -2.4036 0.8230 0.8230 0.8241 0.8241 2.8942 2.8942 2.8954 2.8954 7.0183 7.0183 7.0197 7.0197 8.8530 8.8530 8.8553 8.8553 9.4259 9.4259 9.4283 9.4283 11.8163 11.8163 11.8185 11.8185 19.8730 19.8730 19.8754 19.8754 20.5102 20.5102 20.5153 20.5153 k = 0.5000 0.4999 0.2580 ( 1520 PWs) bands (ev): -6.1278 -6.1278 -6.1277 -6.1277 -2.3781 -2.3781 -2.3775 -2.3775 0.7275 0.7275 0.7285 0.7285 2.7821 2.7821 2.7833 2.7833 7.1422 7.1422 7.1437 7.1437 8.8806 8.8806 8.8831 8.8831 9.5213 9.5213 9.5235 9.5235 11.8364 11.8364 11.8387 11.8387 19.8149 19.8149 19.8173 19.8173 20.4816 20.4816 20.4867 20.4867 k = 0.5000 0.4999 0.2693 ( 1504 PWs) bands (ev): -6.1051 -6.1051 -6.1050 -6.1050 -2.3518 -2.3518 -2.3512 -2.3512 0.6361 0.6361 0.6371 0.6371 2.6720 2.6720 2.6733 2.6733 7.2622 7.2622 7.2638 7.2638 8.9055 8.9055 8.9084 8.9084 9.6167 9.6167 9.6187 9.6187 11.8572 11.8572 11.8596 11.8596 19.7533 19.7533 19.7557 19.7557 20.4560 20.4560 20.4612 20.4612 k = 0.5000 0.4999 0.2805 ( 1504 PWs) bands (ev): -6.0823 -6.0823 -6.0821 -6.0821 -2.3256 -2.3256 -2.3250 -2.3250 0.5491 0.5491 0.5501 0.5501 2.5643 2.5643 2.5655 2.5655 7.3777 7.3777 7.3796 7.3796 8.9290 8.9290 8.9322 8.9322 9.7105 9.7105 9.7123 9.7123 11.8787 11.8787 11.8812 11.8812 19.6890 19.6890 19.6914 19.6914 20.4327 20.4327 20.4379 20.4379 k = 0.5000 0.4999 0.2917 ( 1512 PWs) bands (ev): -6.0594 -6.0594 -6.0593 -6.0593 -2.2998 -2.2998 -2.2992 -2.2992 0.4666 0.4666 0.4676 0.4676 2.4590 2.4590 2.4602 2.4602 7.4885 7.4885 7.4905 7.4905 8.9517 8.9517 8.9553 8.9553 9.8017 9.8017 9.8034 9.8034 11.9008 11.9008 11.9034 11.9034 19.6229 19.6229 19.6252 19.6252 20.4114 20.4114 20.4166 20.4166 k = 0.5000 0.4999 0.3029 ( 1520 PWs) bands (ev): -6.0367 -6.0367 -6.0365 -6.0365 -2.2744 -2.2744 -2.2737 -2.2737 0.3889 0.3889 0.3899 0.3899 2.3565 2.3565 2.3577 2.3577 7.5939 7.5939 7.5962 7.5962 8.9745 8.9745 8.9784 8.9784 9.8897 9.8897 9.8913 9.8913 11.9234 11.9234 11.9262 11.9262 19.5558 19.5558 19.5580 19.5580 20.3920 20.3920 20.3971 20.3971 k = 0.5000 0.4999 0.3141 ( 1520 PWs) bands (ev): -6.0142 -6.0142 -6.0140 -6.0140 -2.2495 -2.2495 -2.2489 -2.2489 0.3161 0.3161 0.3171 0.3171 2.2571 2.2571 2.2583 2.2583 7.6936 7.6936 7.6961 7.6961 8.9977 8.9977 9.0019 9.0019 9.9739 9.9739 9.9755 9.9755 11.9465 11.9465 11.9493 11.9493 19.4886 19.4886 19.4907 19.4907 20.3741 20.3741 20.3791 20.3791 k = 0.5000 0.4999 0.3254 ( 1520 PWs) bands (ev): -5.9920 -5.9920 -5.9919 -5.9919 -2.2256 -2.2256 -2.2249 -2.2249 0.2484 0.2484 0.2494 0.2494 2.1610 2.1610 2.1622 2.1622 7.7872 7.7872 7.7900 7.7900 9.0214 9.0214 9.0261 9.0261 10.0540 10.0540 10.0555 10.0555 11.9698 11.9698 11.9727 11.9727 19.4219 19.4219 19.4239 19.4239 20.3575 20.3575 20.3625 20.3625 k = 0.5000 0.4999 0.3366 ( 1508 PWs) bands (ev): -5.9704 -5.9704 -5.9702 -5.9702 -2.2026 -2.2026 -2.2020 -2.2020 0.1859 0.1859 0.1869 0.1869 2.0685 2.0685 2.0696 2.0696 7.8744 7.8744 7.8773 7.8773 9.0461 9.0461 9.0511 9.0511 10.1296 10.1296 10.1311 10.1311 11.9932 11.9932 11.9962 11.9962 19.3564 19.3564 19.3584 19.3584 20.3421 20.3421 20.3470 20.3470 k = 0.5000 0.4999 0.3478 ( 1504 PWs) bands (ev): -5.9494 -5.9494 -5.9492 -5.9492 -2.1808 -2.1808 -2.1802 -2.1802 0.1288 0.1288 0.1298 0.1298 1.9797 1.9797 1.9809 1.9809 7.9546 7.9546 7.9578 7.9578 9.0716 9.0716 9.0769 9.0769 10.2004 10.2004 10.2019 10.2019 12.0165 12.0165 12.0196 12.0196 19.2927 19.2927 19.2946 19.2946 20.3276 20.3276 20.3325 20.3325 k = 0.5000 0.4999 0.3590 ( 1504 PWs) bands (ev): -5.9292 -5.9292 -5.9290 -5.9290 -2.1604 -2.1604 -2.1598 -2.1598 0.0771 0.0771 0.0780 0.0780 1.8952 1.8952 1.8964 1.8964 8.0278 8.0278 8.0313 8.0313 9.0978 9.0978 9.1035 9.1035 10.2663 10.2663 10.2678 10.2678 12.0395 12.0395 12.0427 12.0427 19.2314 19.2314 19.2331 19.2331 20.3141 20.3141 20.3189 20.3189 k = 0.5000 0.4999 0.3702 ( 1504 PWs) bands (ev): -5.9099 -5.9099 -5.9097 -5.9097 -2.1416 -2.1416 -2.1410 -2.1410 0.0308 0.0308 0.0317 0.0317 1.8152 1.8152 1.8164 1.8164 8.0938 8.0938 8.0975 8.0975 9.1247 9.1247 9.1307 9.1307 10.3272 10.3272 10.3286 10.3286 12.0619 12.0619 12.0652 12.0652 19.1729 19.1729 19.1746 19.1746 20.3015 20.3015 20.3062 20.3062 k = 0.5000 0.4999 0.3814 ( 1504 PWs) bands (ev): -5.8917 -5.8917 -5.8915 -5.8915 -2.1243 -2.1243 -2.1237 -2.1237 -0.0102 -0.0102 -0.0093 -0.0093 1.7400 1.7400 1.7412 1.7412 8.1526 8.1526 8.1566 8.1566 9.1518 9.1518 9.1582 9.1582 10.3828 10.3828 10.3843 10.3843 12.0837 12.0837 12.0870 12.0870 19.1178 19.1178 19.1194 19.1194 20.2898 20.2898 20.2945 20.2945 k = 0.5000 0.4999 0.3927 ( 1504 PWs) bands (ev): -5.8747 -5.8747 -5.8746 -5.8746 -2.1088 -2.1088 -2.1083 -2.1083 -0.0459 -0.0459 -0.0450 -0.0450 1.6701 1.6701 1.6713 1.6713 8.2045 8.2045 8.2086 8.2086 9.1789 9.1789 9.1856 9.1856 10.4332 10.4332 10.4347 10.4347 12.1043 12.1043 12.1078 12.1078 19.0664 19.0664 19.0680 19.0680 20.2790 20.2790 20.2837 20.2837 k = 0.5000 0.4999 0.4039 ( 1504 PWs) bands (ev): -5.8591 -5.8591 -5.8589 -5.8589 -2.0951 -2.0951 -2.0946 -2.0946 -0.0765 -0.0765 -0.0757 -0.0757 1.6058 1.6058 1.6070 1.6070 8.2495 8.2495 8.2538 8.2538 9.2054 9.2054 9.2123 9.2123 10.4783 10.4783 10.4798 10.4798 12.1238 12.1238 12.1273 12.1273 19.0193 19.0193 19.0208 19.0208 20.2692 20.2692 20.2738 20.2738 k = 0.5000 0.4999 0.4151 ( 1504 PWs) bands (ev): -5.8449 -5.8449 -5.8448 -5.8448 -2.0832 -2.0832 -2.0826 -2.0826 -0.1023 -0.1023 -0.1016 -0.1016 1.5477 1.5477 1.5489 1.5489 8.2880 8.2880 8.2924 8.2924 9.2307 9.2307 9.2378 9.2378 10.5182 10.5182 10.5196 10.5196 12.1416 12.1416 12.1452 12.1452 18.9768 18.9768 18.9783 18.9783 20.2605 20.2605 20.2650 20.2650 k = 0.5000 0.4999 0.4263 ( 1496 PWs) bands (ev): -5.8324 -5.8324 -5.8322 -5.8322 -2.0730 -2.0730 -2.0725 -2.0725 -0.1236 -0.1236 -0.1230 -0.1230 1.4961 1.4961 1.4973 1.4973 8.3204 8.3204 8.3250 8.3250 9.2542 9.2542 9.2615 9.2615 10.5527 10.5527 10.5541 10.5541 12.1577 12.1577 12.1613 12.1613 18.9392 18.9392 18.9406 18.9406 20.2528 20.2528 20.2573 20.2573 k = 0.5000 0.4999 0.4375 ( 1496 PWs) bands (ev): -5.8216 -5.8216 -5.8214 -5.8214 -2.0646 -2.0646 -2.0641 -2.0641 -0.1407 -0.1407 -0.1402 -0.1402 1.4514 1.4514 1.4527 1.4527 8.3470 8.3470 8.3517 8.3517 9.2753 9.2753 9.2827 9.2827 10.5819 10.5819 10.5833 10.5833 12.1717 12.1717 12.1754 12.1754 18.9069 18.9069 18.9083 18.9083 20.2461 20.2461 20.2506 20.2506 k = 0.5000 0.4999 0.4488 ( 1496 PWs) bands (ev): -5.8126 -5.8126 -5.8124 -5.8124 -2.0578 -2.0578 -2.0574 -2.0574 -0.1540 -0.1540 -0.1536 -0.1536 1.4142 1.4142 1.4155 1.4155 8.3682 8.3682 8.3729 8.3729 9.2934 9.2934 9.3009 9.3009 10.6057 10.6057 10.6071 10.6071 12.1835 12.1835 12.1872 12.1872 18.8801 18.8801 18.8814 18.8814 20.2406 20.2406 20.2451 20.2451 k = 0.5000 0.4999 0.4600 ( 1504 PWs) bands (ev): -5.8055 -5.8055 -5.8054 -5.8054 -2.0527 -2.0527 -2.0523 -2.0523 -0.1639 -0.1639 -0.1636 -0.1636 1.3848 1.3848 1.3860 1.3860 8.3843 8.3843 8.3891 8.3891 9.3080 9.3080 9.3155 9.3155 10.6243 10.6243 10.6256 10.6256 12.1929 12.1929 12.1966 12.1966 18.8589 18.8589 18.8603 18.8603 20.2362 20.2362 20.2407 20.2407 k = 0.5000 0.4999 0.4712 ( 1512 PWs) bands (ev): -5.8004 -5.8004 -5.8003 -5.8003 -2.0491 -2.0491 -2.0487 -2.0487 -0.1707 -0.1707 -0.1705 -0.1705 1.3635 1.3635 1.3647 1.3647 8.3956 8.3956 8.4004 8.4004 9.3186 9.3186 9.3263 9.3263 10.6374 10.6374 10.6388 10.6388 12.1997 12.1997 12.2034 12.2034 18.8437 18.8437 18.8450 18.8450 20.2331 20.2331 20.2375 20.2375 k = 0.5000 0.4999 0.4824 ( 1512 PWs) bands (ev): -5.7973 -5.7973 -5.7972 -5.7972 -2.0469 -2.0469 -2.0466 -2.0466 -0.1747 -0.1747 -0.1745 -0.1745 1.3506 1.3506 1.3519 1.3519 8.4023 8.4023 8.4071 8.4071 9.3252 9.3252 9.3329 9.3329 10.6454 10.6454 10.6468 10.6468 12.2038 12.2038 12.2076 12.2076 18.8345 18.8345 18.8358 18.8358 20.2312 20.2312 20.2356 20.2356 k = 0.5000 0.4999 0.4936 ( 1520 PWs) bands (ev): -5.7963 -5.7963 -5.7961 -5.7961 -2.0462 -2.0462 -2.0459 -2.0459 -0.1759 -0.1759 -0.1759 -0.1759 1.3463 1.3463 1.3476 1.3476 8.4045 8.4045 8.4092 8.4092 9.3273 9.3273 9.3350 9.3350 10.6480 10.6480 10.6494 10.6494 12.2052 12.2052 12.2089 12.2089 18.8314 18.8314 18.8327 18.8327 20.2305 20.2305 20.2350 20.2350 Writing output data file BC2N.save init_run : 2.19s CPU 11.52s WALL ( 1 calls) electrons : 435.10s CPU 442.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.23s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 435.03s CPU 442.47s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.52s WALL ( 1 calls) newd : 0.37s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 548 calls) cegterg : 399.09s CPU 403.14s WALL ( 1185 calls) Called by sum_band: Called by *egterg: h_psi : 155.51s CPU 164.21s WALL ( 19431 calls) s_psi : 10.90s CPU 12.44s WALL ( 19431 calls) g_psi : 0.18s CPU 0.32s WALL ( 17698 calls) cdiaghg : 185.02s CPU 182.64s WALL ( 18246 calls) cegterg:over : 32.63s CPU 28.18s WALL ( 17698 calls) cegterg:upda : 2.15s CPU 5.05s WALL ( 17698 calls) cegterg:last : 2.72s CPU 3.69s WALL ( 2831 calls) Called by h_psi: h_psi:vloc : 118.45s CPU 127.51s WALL ( 19431 calls) h_psi:vnl : 36.95s CPU 36.31s WALL ( 19431 calls) add_vuspsi : 5.94s CPU 9.99s WALL ( 19431 calls) General routines calbec : 30.96s CPU 26.19s WALL ( 19431 calls) fft : 0.41s CPU 1.22s WALL ( 19 calls) ffts : 0.00s CPU 0.09s WALL ( 4 calls) fftw : 113.50s CPU 121.93s WALL ( 1370380 calls) interpolate : 0.02s CPU 0.12s WALL ( 4 calls) davcio : 0.03s CPU 1.37s WALL ( 1096 calls) Parallel routines fft_scatter : 77.27s CPU 87.24s WALL ( 1370403 calls) PWSCF : 8m 4.07s CPU 9m25.05s WALL This run was terminated on: 8:56: 1 3Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=