Program PWSCF v.5.1.1 starts on 21Jul2015 at 6: 3:38 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: ./BaSi.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 33 30 8 745 646 102 Max 34 31 9 748 655 105 Sum 1605 1457 427 35865 31157 5019 bravais-lattice index = 14 lattice parameter (alat) = 12.0797 a.u. unit-cell volume = 791.3721 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.079687 celldm(2)= 1.000000 celldm(3)= 0.628726 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.700055 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.700055 0.714089 0.000000 ) a(3) = ( 0.000000 0.000000 0.628726 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.980346 -0.000000 ) b(2) = ( 0.000000 1.400385 -0.000000 ) b(3) = ( 0.000000 0.000000 1.590519 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3143628 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3143628 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 386 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0077397 0.0184261 -0.0000000), wk = 0.0025907 k( 3) = ( 0.0154794 0.0368522 -0.0000000), wk = 0.0025907 k( 4) = ( 0.0232191 0.0552784 -0.0000000), wk = 0.0025907 k( 5) = ( 0.0309588 0.0737045 -0.0000000), wk = 0.0025907 k( 6) = ( 0.0386985 0.0921306 -0.0000000), wk = 0.0025907 k( 7) = ( 0.0464381 0.1105567 -0.0000000), wk = 0.0025907 k( 8) = ( 0.0541778 0.1289828 -0.0000000), wk = 0.0025907 k( 9) = ( 0.0619175 0.1474089 -0.0000000), wk = 0.0025907 k( 10) = ( 0.0696572 0.1658351 -0.0000000), wk = 0.0025907 k( 11) = ( 0.0773969 0.1842612 -0.0000000), wk = 0.0025907 k( 12) = ( 0.0851366 0.2026873 -0.0000000), wk = 0.0025907 k( 13) = ( 0.0928763 0.2211134 -0.0000000), wk = 0.0025907 k( 14) = ( 0.1006160 0.2395396 -0.0000000), wk = 0.0025907 k( 15) = ( 0.1083556 0.2579657 -0.0000000), wk = 0.0025907 k( 16) = ( 0.1160953 0.2763918 -0.0000000), wk = 0.0025907 k( 17) = ( 0.1238350 0.2948179 -0.0000000), wk = 0.0025907 k( 18) = ( 0.1315747 0.3132440 -0.0000000), wk = 0.0025907 k( 19) = ( 0.1393144 0.3316702 -0.0000000), wk = 0.0025907 k( 20) = ( 0.1470541 0.3500963 -0.0000000), wk = 0.0025907 k( 21) = ( 0.1547938 0.3685224 -0.0000000), wk = 0.0025907 k( 22) = ( 0.1625335 0.3869485 -0.0000000), wk = 0.0025907 k( 23) = ( 0.1702732 0.4053746 -0.0000000), wk = 0.0025907 k( 24) = ( 0.1780129 0.4238008 -0.0000000), wk = 0.0025907 k( 25) = ( 0.1857525 0.4422269 -0.0000000), wk = 0.0025907 k( 26) = ( 0.1934922 0.4606530 -0.0000000), wk = 0.0025907 k( 27) = ( 0.2012319 0.4790791 -0.0000000), wk = 0.0025907 k( 28) = ( 0.2089716 0.4975052 -0.0000000), wk = 0.0025907 k( 29) = ( 0.2167113 0.5159313 -0.0000000), wk = 0.0025907 k( 30) = ( 0.2244510 0.5343575 -0.0000000), wk = 0.0025907 k( 31) = ( 0.2321907 0.5527836 -0.0000000), wk = 0.0025907 k( 32) = ( 0.2399304 0.5712097 -0.0000000), wk = 0.0025907 k( 33) = ( 0.2476701 0.5896358 -0.0000000), wk = 0.0025907 k( 34) = ( 0.2554097 0.6080620 -0.0000000), wk = 0.0025907 k( 35) = ( 0.2631494 0.6264881 -0.0000000), wk = 0.0025907 k( 36) = ( 0.2708891 0.6449142 -0.0000000), wk = 0.0025907 k( 37) = ( 0.2786288 0.6633403 -0.0000000), wk = 0.0025907 k( 38) = ( 0.2863685 0.6817664 -0.0000000), wk = 0.0025907 k( 39) = ( 0.2941082 0.7001926 -0.0000000), wk = 0.0025907 k( 40) = ( 0.2941082 0.7001926 -0.0000000), wk = 0.0025907 k( 41) = ( 0.2745010 0.7001926 -0.0000000), wk = 0.0025907 k( 42) = ( 0.2548938 0.7001926 -0.0000000), wk = 0.0025907 k( 43) = ( 0.2352866 0.7001926 -0.0000000), wk = 0.0025907 k( 44) = ( 0.2156793 0.7001925 -0.0000000), wk = 0.0025907 k( 45) = ( 0.1960721 0.7001926 -0.0000000), wk = 0.0025907 k( 46) = ( 0.1764649 0.7001926 -0.0000000), wk = 0.0025907 k( 47) = ( 0.1568577 0.7001925 -0.0000000), wk = 0.0025907 k( 48) = ( 0.1372505 0.7001925 -0.0000000), wk = 0.0025907 k( 49) = ( 0.1176433 0.7001926 -0.0000000), wk = 0.0025907 k( 50) = ( 0.0980361 0.7001926 -0.0000000), wk = 0.0025907 k( 51) = ( 0.0784288 0.7001925 -0.0000000), wk = 0.0025907 k( 52) = ( 0.0588216 0.7001925 -0.0000000), wk = 0.0025907 k( 53) = ( 0.0392144 0.7001926 -0.0000000), wk = 0.0025907 k( 54) = ( 0.0196072 0.7001925 -0.0000000), wk = 0.0025907 k( 55) = ( 0.0000000 0.7001925 -0.0000000), wk = 0.0025907 k( 56) = ( 0.0000000 0.7001925 -0.0000000), wk = 0.0025907 k( 57) = ( 0.0000000 0.7001925 0.0198815), wk = 0.0025907 k( 58) = ( 0.0000000 0.7001925 0.0397630), wk = 0.0025907 k( 59) = ( 0.0000000 0.7001925 0.0596445), wk = 0.0025907 k( 60) = ( 0.0000000 0.7001925 0.0795259), wk = 0.0025907 k( 61) = ( 0.0000000 0.7001925 0.0994074), wk = 0.0025907 k( 62) = ( 0.0000000 0.7001925 0.1192889), wk = 0.0025907 k( 63) = ( 0.0000000 0.7001925 0.1391704), wk = 0.0025907 k( 64) = ( 0.0000000 0.7001925 0.1590519), wk = 0.0025907 k( 65) = ( 0.0000000 0.7001925 0.1789334), wk = 0.0025907 k( 66) = ( 0.0000000 0.7001925 0.1988149), wk = 0.0025907 k( 67) = ( 0.0000000 0.7001925 0.2186964), wk = 0.0025907 k( 68) = ( 0.0000000 0.7001925 0.2385778), wk = 0.0025907 k( 69) = ( 0.0000000 0.7001925 0.2584593), wk = 0.0025907 k( 70) = ( 0.0000000 0.7001925 0.2783408), wk = 0.0025907 k( 71) = ( 0.0000000 0.7001925 0.2982223), wk = 0.0025907 k( 72) = ( 0.0000000 0.7001925 0.3181038), wk = 0.0025907 k( 73) = ( 0.0000000 0.7001925 0.3379853), wk = 0.0025907 k( 74) = ( 0.0000000 0.7001925 0.3578668), wk = 0.0025907 k( 75) = ( 0.0000000 0.7001925 0.3777482), wk = 0.0025907 k( 76) = ( 0.0000000 0.7001925 0.3976297), wk = 0.0025907 k( 77) = ( 0.0000000 0.7001925 0.4175112), wk = 0.0025907 k( 78) = ( 0.0000000 0.7001925 0.4373927), wk = 0.0025907 k( 79) = ( 0.0000000 0.7001925 0.4572742), wk = 0.0025907 k( 80) = ( 0.0000000 0.7001925 0.4771557), wk = 0.0025907 k( 81) = ( 0.0000000 0.7001925 0.4970372), wk = 0.0025907 k( 82) = ( 0.0000000 0.7001925 0.5169187), wk = 0.0025907 k( 83) = ( 0.0000000 0.7001925 0.5368001), wk = 0.0025907 k( 84) = ( 0.0000000 0.7001925 0.5566816), wk = 0.0025907 k( 85) = ( 0.0000000 0.7001925 0.5765631), wk = 0.0025907 k( 86) = ( 0.0000000 0.7001925 0.5964446), wk = 0.0025907 k( 87) = ( 0.0000000 0.7001925 0.6163261), wk = 0.0025907 k( 88) = ( 0.0000000 0.7001925 0.6362076), wk = 0.0025907 k( 89) = ( 0.0000000 0.7001925 0.6560891), wk = 0.0025907 k( 90) = ( 0.0000000 0.7001925 0.6759705), wk = 0.0025907 k( 91) = ( 0.0000000 0.7001925 0.6958520), wk = 0.0025907 k( 92) = ( 0.0000000 0.7001925 0.7157335), wk = 0.0025907 k( 93) = ( 0.0000000 0.7001925 0.7356150), wk = 0.0025907 k( 94) = ( 0.0000000 0.7001925 0.7554965), wk = 0.0025907 k( 95) = ( 0.0000000 0.7001925 0.7753780), wk = 0.0025907 k( 96) = ( 0.0000000 0.7001925 0.7952595), wk = 0.0025907 k( 97) = ( 0.0000000 0.7001925 0.7952595), wk = 0.0025907 k( 98) = ( 0.0196072 0.7001925 0.7952595), wk = 0.0025907 k( 99) = ( 0.0392144 0.7001926 0.7952595), wk = 0.0025907 k( 100) = ( 0.0588216 0.7001925 0.7952595), wk = 0.0025907 k( 101) = ( 0.0784288 0.7001925 0.7952595), wk = 0.0025907 k( 102) = ( 0.0980361 0.7001926 0.7952595), wk = 0.0025907 k( 103) = ( 0.1176433 0.7001926 0.7952595), wk = 0.0025907 k( 104) = ( 0.1372505 0.7001925 0.7952595), wk = 0.0025907 k( 105) = ( 0.1568577 0.7001925 0.7952595), wk = 0.0025907 k( 106) = ( 0.1764649 0.7001926 0.7952595), wk = 0.0025907 k( 107) = ( 0.1960721 0.7001926 0.7952595), wk = 0.0025907 k( 108) = ( 0.2156793 0.7001925 0.7952595), wk = 0.0025907 k( 109) = ( 0.2352866 0.7001926 0.7952595), wk = 0.0025907 k( 110) = ( 0.2548938 0.7001926 0.7952595), wk = 0.0025907 k( 111) = ( 0.2745010 0.7001926 0.7952595), wk = 0.0025907 k( 112) = ( 0.2941082 0.7001926 0.7952595), wk = 0.0025907 k( 113) = ( 0.2941082 0.7001926 0.7952595), wk = 0.0025907 k( 114) = ( 0.2863685 0.6817664 0.7952595), wk = 0.0025907 k( 115) = ( 0.2786288 0.6633403 0.7952595), wk = 0.0025907 k( 116) = ( 0.2708891 0.6449142 0.7952595), wk = 0.0025907 k( 117) = ( 0.2631494 0.6264881 0.7952595), wk = 0.0025907 k( 118) = ( 0.2554097 0.6080620 0.7952595), wk = 0.0025907 k( 119) = ( 0.2476701 0.5896358 0.7952595), wk = 0.0025907 k( 120) = ( 0.2399304 0.5712097 0.7952595), wk = 0.0025907 k( 121) = ( 0.2321907 0.5527836 0.7952595), wk = 0.0025907 k( 122) = ( 0.2244510 0.5343575 0.7952595), wk = 0.0025907 k( 123) = ( 0.2167113 0.5159313 0.7952595), wk = 0.0025907 k( 124) = ( 0.2089716 0.4975052 0.7952595), wk = 0.0025907 k( 125) = ( 0.2012319 0.4790791 0.7952595), wk = 0.0025907 k( 126) = ( 0.1934922 0.4606530 0.7952595), wk = 0.0025907 k( 127) = ( 0.1857525 0.4422269 0.7952595), wk = 0.0025907 k( 128) = ( 0.1780129 0.4238008 0.7952595), wk = 0.0025907 k( 129) = ( 0.1702732 0.4053746 0.7952595), wk = 0.0025907 k( 130) = ( 0.1625335 0.3869485 0.7952595), wk = 0.0025907 k( 131) = ( 0.1547938 0.3685224 0.7952595), wk = 0.0025907 k( 132) = ( 0.1470541 0.3500963 0.7952595), wk = 0.0025907 k( 133) = ( 0.1393144 0.3316702 0.7952595), wk = 0.0025907 k( 134) = ( 0.1315747 0.3132440 0.7952595), wk = 0.0025907 k( 135) = ( 0.1238350 0.2948179 0.7952595), wk = 0.0025907 k( 136) = ( 0.1160953 0.2763918 0.7952595), wk = 0.0025907 k( 137) = ( 0.1083556 0.2579657 0.7952595), wk = 0.0025907 k( 138) = ( 0.1006160 0.2395396 0.7952595), wk = 0.0025907 k( 139) = ( 0.0928763 0.2211134 0.7952595), wk = 0.0025907 k( 140) = ( 0.0851366 0.2026873 0.7952595), wk = 0.0025907 k( 141) = ( 0.0773969 0.1842612 0.7952595), wk = 0.0025907 k( 142) = ( 0.0696572 0.1658351 0.7952595), wk = 0.0025907 k( 143) = ( 0.0619175 0.1474089 0.7952595), wk = 0.0025907 k( 144) = ( 0.0541778 0.1289828 0.7952595), wk = 0.0025907 k( 145) = ( 0.0464381 0.1105567 0.7952595), wk = 0.0025907 k( 146) = ( 0.0386985 0.0921306 0.7952595), wk = 0.0025907 k( 147) = ( 0.0309588 0.0737045 0.7952595), wk = 0.0025907 k( 148) = ( 0.0232191 0.0552784 0.7952595), wk = 0.0025907 k( 149) = ( 0.0154794 0.0368522 0.7952595), wk = 0.0025907 k( 150) = ( 0.0077397 0.0184261 0.7952595), wk = 0.0025907 k( 151) = ( 0.0000000 0.0000000 0.7952595), wk = 0.0025907 k( 152) = ( 0.0000000 0.0000000 0.7952595), wk = 0.0025907 k( 153) = ( 0.0000000 0.0000000 0.7753780), wk = 0.0025907 k( 154) = ( 0.0000000 0.0000000 0.7554965), wk = 0.0025907 k( 155) = ( 0.0000000 0.0000000 0.7356150), wk = 0.0025907 k( 156) = ( 0.0000000 0.0000000 0.7157335), wk = 0.0025907 k( 157) = ( 0.0000000 0.0000000 0.6958520), wk = 0.0025907 k( 158) = ( 0.0000000 0.0000000 0.6759705), wk = 0.0025907 k( 159) = ( 0.0000000 0.0000000 0.6560891), wk = 0.0025907 k( 160) = ( 0.0000000 0.0000000 0.6362076), wk = 0.0025907 k( 161) = ( 0.0000000 0.0000000 0.6163261), wk = 0.0025907 k( 162) = ( 0.0000000 0.0000000 0.5964446), wk = 0.0025907 k( 163) = ( 0.0000000 0.0000000 0.5765631), wk = 0.0025907 k( 164) = ( 0.0000000 0.0000000 0.5566816), wk = 0.0025907 k( 165) = ( 0.0000000 0.0000000 0.5368001), wk = 0.0025907 k( 166) = ( 0.0000000 0.0000000 0.5169187), wk = 0.0025907 k( 167) = ( 0.0000000 0.0000000 0.4970372), wk = 0.0025907 k( 168) = ( 0.0000000 0.0000000 0.4771557), wk = 0.0025907 k( 169) = ( 0.0000000 0.0000000 0.4572742), wk = 0.0025907 k( 170) = ( 0.0000000 0.0000000 0.4373927), wk = 0.0025907 k( 171) = ( 0.0000000 0.0000000 0.4175112), wk = 0.0025907 k( 172) = ( 0.0000000 0.0000000 0.3976297), wk = 0.0025907 k( 173) = ( 0.0000000 0.0000000 0.3777482), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.3578668), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.3379853), wk = 0.0025907 k( 176) = ( 0.0000000 0.0000000 0.3181038), wk = 0.0025907 k( 177) = ( 0.0000000 0.0000000 0.2982223), wk = 0.0025907 k( 178) = ( 0.0000000 0.0000000 0.2783408), wk = 0.0025907 k( 179) = ( 0.0000000 0.0000000 0.2584593), wk = 0.0025907 k( 180) = ( 0.0000000 0.0000000 0.2385778), wk = 0.0025907 k( 181) = ( 0.0000000 0.0000000 0.2186964), wk = 0.0025907 k( 182) = ( 0.0000000 0.0000000 0.1988149), wk = 0.0025907 k( 183) = ( 0.0000000 0.0000000 0.1789334), wk = 0.0025907 k( 184) = ( 0.0000000 0.0000000 0.1590519), wk = 0.0025907 k( 185) = ( 0.0000000 0.0000000 0.1391704), wk = 0.0025907 k( 186) = ( 0.0000000 0.0000000 0.1192889), wk = 0.0025907 k( 187) = ( 0.0000000 0.0000000 0.0994074), wk = 0.0025907 k( 188) = ( 0.0000000 0.0000000 0.0795259), wk = 0.0025907 k( 189) = ( 0.0000000 0.0000000 0.0596445), wk = 0.0025907 k( 190) = ( 0.0000000 0.0000000 0.0397630), wk = 0.0025907 k( 191) = ( 0.0000000 0.0000000 0.0198815), wk = 0.0025907 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 194) = ( -0.0185185 0.0077785 -0.0000000), wk = 0.0025907 k( 195) = ( -0.0370370 0.0155570 -0.0000000), wk = 0.0025907 k( 196) = ( -0.0555556 0.0233355 -0.0000000), wk = 0.0025907 k( 197) = ( -0.0740741 0.0311140 -0.0000000), wk = 0.0025907 k( 198) = ( -0.0925926 0.0388925 -0.0000000), wk = 0.0025907 k( 199) = ( -0.1111111 0.0466710 -0.0000000), wk = 0.0025907 k( 200) = ( -0.1296296 0.0544495 -0.0000000), wk = 0.0025907 k( 201) = ( -0.1481482 0.0622280 -0.0000000), wk = 0.0025907 k( 202) = ( -0.1666667 0.0700065 -0.0000000), wk = 0.0025907 k( 203) = ( -0.1851852 0.0777850 0.0000000), wk = 0.0025907 k( 204) = ( -0.2037037 0.0855635 -0.0000000), wk = 0.0025907 k( 205) = ( -0.2222222 0.0933420 -0.0000000), wk = 0.0025907 k( 206) = ( -0.2407407 0.1011205 -0.0000000), wk = 0.0025907 k( 207) = ( -0.2592593 0.1088990 -0.0000000), wk = 0.0025907 k( 208) = ( -0.2777778 0.1166775 -0.0000000), wk = 0.0025907 k( 209) = ( -0.2962963 0.1244560 -0.0000000), wk = 0.0025907 k( 210) = ( -0.3148148 0.1322345 -0.0000000), wk = 0.0025907 k( 211) = ( -0.3333333 0.1400130 0.0000000), wk = 0.0025907 k( 212) = ( -0.3518519 0.1477915 -0.0000000), wk = 0.0025907 k( 213) = ( -0.3703704 0.1555700 -0.0000000), wk = 0.0025907 k( 214) = ( -0.3888889 0.1633485 0.0000000), wk = 0.0025907 k( 215) = ( -0.4074074 0.1711270 -0.0000000), wk = 0.0025907 k( 216) = ( -0.4259259 0.1789055 -0.0000000), wk = 0.0025907 k( 217) = ( -0.4444444 0.1866840 -0.0000000), wk = 0.0025907 k( 218) = ( -0.4629630 0.1944625 -0.0000000), wk = 0.0025907 k( 219) = ( -0.4814815 0.2022410 -0.0000000), wk = 0.0025907 k( 220) = ( -0.5000000 0.2100195 -0.0000000), wk = 0.0025907 k( 221) = ( -0.5000000 0.2100195 -0.0000000), wk = 0.0025907 k( 222) = ( -0.4923744 0.2281741 -0.0000000), wk = 0.0025907 k( 223) = ( -0.4847488 0.2463286 -0.0000000), wk = 0.0025907 k( 224) = ( -0.4771231 0.2644832 -0.0000000), wk = 0.0025907 k( 225) = ( -0.4694975 0.2826377 -0.0000000), wk = 0.0025907 k( 226) = ( -0.4618719 0.3007923 -0.0000000), wk = 0.0025907 k( 227) = ( -0.4542463 0.3189468 -0.0000000), wk = 0.0025907 k( 228) = ( -0.4466206 0.3371014 -0.0000000), wk = 0.0025907 k( 229) = ( -0.4389950 0.3552560 -0.0000000), wk = 0.0025907 k( 230) = ( -0.4313694 0.3734105 -0.0000000), wk = 0.0025907 k( 231) = ( -0.4237438 0.3915651 -0.0000000), wk = 0.0025907 k( 232) = ( -0.4161182 0.4097196 -0.0000000), wk = 0.0025907 k( 233) = ( -0.4084925 0.4278742 -0.0000000), wk = 0.0025907 k( 234) = ( -0.4008669 0.4460287 -0.0000000), wk = 0.0025907 k( 235) = ( -0.3932413 0.4641833 -0.0000000), wk = 0.0025907 k( 236) = ( -0.3856157 0.4823379 -0.0000000), wk = 0.0025907 k( 237) = ( -0.3779900 0.5004924 -0.0000000), wk = 0.0025907 k( 238) = ( -0.3703644 0.5186470 -0.0000000), wk = 0.0025907 k( 239) = ( -0.3627388 0.5368015 -0.0000000), wk = 0.0025907 k( 240) = ( -0.3551132 0.5549561 -0.0000000), wk = 0.0025907 k( 241) = ( -0.3474875 0.5731107 -0.0000000), wk = 0.0025907 k( 242) = ( -0.3398619 0.5912652 -0.0000000), wk = 0.0025907 k( 243) = ( -0.3322363 0.6094198 -0.0000000), wk = 0.0025907 k( 244) = ( -0.3246107 0.6275743 -0.0000000), wk = 0.0025907 k( 245) = ( -0.3169851 0.6457289 -0.0000000), wk = 0.0025907 k( 246) = ( -0.3093594 0.6638834 -0.0000000), wk = 0.0025907 k( 247) = ( -0.3017338 0.6820380 -0.0000000), wk = 0.0025907 k( 248) = ( -0.2941082 0.7001925 -0.0000000), wk = 0.0025907 k( 249) = ( -0.2941082 0.7001925 -0.0000000), wk = 0.0025907 k( 250) = ( -0.2941082 0.7001925 0.0198815), wk = 0.0025907 k( 251) = ( -0.2941082 0.7001925 0.0397630), wk = 0.0025907 k( 252) = ( -0.2941082 0.7001925 0.0596445), wk = 0.0025907 k( 253) = ( -0.2941082 0.7001925 0.0795259), wk = 0.0025907 k( 254) = ( -0.2941082 0.7001925 0.0994074), wk = 0.0025907 k( 255) = ( -0.2941082 0.7001925 0.1192889), wk = 0.0025907 k( 256) = ( -0.2941082 0.7001925 0.1391704), wk = 0.0025907 k( 257) = ( -0.2941082 0.7001925 0.1590519), wk = 0.0025907 k( 258) = ( -0.2941082 0.7001925 0.1789334), wk = 0.0025907 k( 259) = ( -0.2941082 0.7001925 0.1988149), wk = 0.0025907 k( 260) = ( -0.2941082 0.7001925 0.2186964), wk = 0.0025907 k( 261) = ( -0.2941082 0.7001925 0.2385778), wk = 0.0025907 k( 262) = ( -0.2941082 0.7001925 0.2584593), wk = 0.0025907 k( 263) = ( -0.2941082 0.7001925 0.2783408), wk = 0.0025907 k( 264) = ( -0.2941082 0.7001925 0.2982223), wk = 0.0025907 k( 265) = ( -0.2941082 0.7001925 0.3181038), wk = 0.0025907 k( 266) = ( -0.2941082 0.7001925 0.3379853), wk = 0.0025907 k( 267) = ( -0.2941082 0.7001925 0.3578668), wk = 0.0025907 k( 268) = ( -0.2941082 0.7001925 0.3777482), wk = 0.0025907 k( 269) = ( -0.2941082 0.7001925 0.3976297), wk = 0.0025907 k( 270) = ( -0.2941082 0.7001925 0.4175112), wk = 0.0025907 k( 271) = ( -0.2941082 0.7001925 0.4373927), wk = 0.0025907 k( 272) = ( -0.2941082 0.7001925 0.4572742), wk = 0.0025907 k( 273) = ( -0.2941082 0.7001925 0.4771557), wk = 0.0025907 k( 274) = ( -0.2941082 0.7001925 0.4970372), wk = 0.0025907 k( 275) = ( -0.2941082 0.7001925 0.5169187), wk = 0.0025907 k( 276) = ( -0.2941082 0.7001925 0.5368001), wk = 0.0025907 k( 277) = ( -0.2941082 0.7001925 0.5566816), wk = 0.0025907 k( 278) = ( -0.2941082 0.7001925 0.5765631), wk = 0.0025907 k( 279) = ( -0.2941082 0.7001925 0.5964446), wk = 0.0025907 k( 280) = ( -0.2941082 0.7001925 0.6163261), wk = 0.0025907 k( 281) = ( -0.2941082 0.7001925 0.6362076), wk = 0.0025907 k( 282) = ( -0.2941082 0.7001925 0.6560891), wk = 0.0025907 k( 283) = ( -0.2941082 0.7001925 0.6759705), wk = 0.0025907 k( 284) = ( -0.2941082 0.7001925 0.6958520), wk = 0.0025907 k( 285) = ( -0.2941082 0.7001925 0.7157335), wk = 0.0025907 k( 286) = ( -0.2941082 0.7001925 0.7356150), wk = 0.0025907 k( 287) = ( -0.2941082 0.7001925 0.7554965), wk = 0.0025907 k( 288) = ( -0.2941082 0.7001925 0.7753780), wk = 0.0025907 k( 289) = ( -0.2941082 0.7001925 0.7952595), wk = 0.0025907 k( 290) = ( -0.2941082 0.7001925 0.7952595), wk = 0.0025907 k( 291) = ( -0.3017338 0.6820380 0.7952595), wk = 0.0025907 k( 292) = ( -0.3093594 0.6638834 0.7952595), wk = 0.0025907 k( 293) = ( -0.3169851 0.6457289 0.7952595), wk = 0.0025907 k( 294) = ( -0.3246107 0.6275743 0.7952595), wk = 0.0025907 k( 295) = ( -0.3322363 0.6094198 0.7952595), wk = 0.0025907 k( 296) = ( -0.3398619 0.5912652 0.7952595), wk = 0.0025907 k( 297) = ( -0.3474875 0.5731107 0.7952595), wk = 0.0025907 k( 298) = ( -0.3551132 0.5549561 0.7952595), wk = 0.0025907 k( 299) = ( -0.3627388 0.5368015 0.7952595), wk = 0.0025907 k( 300) = ( -0.3703644 0.5186470 0.7952595), wk = 0.0025907 k( 301) = ( -0.3779900 0.5004924 0.7952595), wk = 0.0025907 k( 302) = ( -0.3856157 0.4823379 0.7952595), wk = 0.0025907 k( 303) = ( -0.3932413 0.4641833 0.7952595), wk = 0.0025907 k( 304) = ( -0.4008669 0.4460287 0.7952595), wk = 0.0025907 k( 305) = ( -0.4084925 0.4278742 0.7952595), wk = 0.0025907 k( 306) = ( -0.4161182 0.4097196 0.7952595), wk = 0.0025907 k( 307) = ( -0.4237438 0.3915651 0.7952595), wk = 0.0025907 k( 308) = ( -0.4313694 0.3734105 0.7952595), wk = 0.0025907 k( 309) = ( -0.4389950 0.3552560 0.7952595), wk = 0.0025907 k( 310) = ( -0.4466206 0.3371014 0.7952595), wk = 0.0025907 k( 311) = ( -0.4542463 0.3189468 0.7952595), wk = 0.0025907 k( 312) = ( -0.4618719 0.3007923 0.7952595), wk = 0.0025907 k( 313) = ( -0.4694975 0.2826377 0.7952595), wk = 0.0025907 k( 314) = ( -0.4771231 0.2644832 0.7952595), wk = 0.0025907 k( 315) = ( -0.4847488 0.2463286 0.7952595), wk = 0.0025907 k( 316) = ( -0.4923744 0.2281741 0.7952595), wk = 0.0025907 k( 317) = ( -0.5000000 0.2100195 0.7952595), wk = 0.0025907 k( 318) = ( -0.5000000 0.2100195 0.7952595), wk = 0.0025907 k( 319) = ( -0.5000000 0.2100195 0.7753780), wk = 0.0025907 k( 320) = ( -0.5000000 0.2100195 0.7554965), wk = 0.0025907 k( 321) = ( -0.5000000 0.2100195 0.7356150), wk = 0.0025907 k( 322) = ( -0.5000000 0.2100195 0.7157335), wk = 0.0025907 k( 323) = ( -0.5000000 0.2100195 0.6958520), wk = 0.0025907 k( 324) = ( -0.5000000 0.2100195 0.6759705), wk = 0.0025907 k( 325) = ( -0.5000000 0.2100195 0.6560891), wk = 0.0025907 k( 326) = ( -0.5000000 0.2100195 0.6362076), wk = 0.0025907 k( 327) = ( -0.5000000 0.2100195 0.6163261), wk = 0.0025907 k( 328) = ( -0.5000000 0.2100195 0.5964446), wk = 0.0025907 k( 329) = ( -0.5000000 0.2100195 0.5765631), wk = 0.0025907 k( 330) = ( -0.5000000 0.2100195 0.5566816), wk = 0.0025907 k( 331) = ( -0.5000000 0.2100195 0.5368001), wk = 0.0025907 k( 332) = ( -0.5000000 0.2100195 0.5169187), wk = 0.0025907 k( 333) = ( -0.5000000 0.2100195 0.4970372), wk = 0.0025907 k( 334) = ( -0.5000000 0.2100195 0.4771557), wk = 0.0025907 k( 335) = ( -0.5000000 0.2100195 0.4572742), wk = 0.0025907 k( 336) = ( -0.5000000 0.2100195 0.4373927), wk = 0.0025907 k( 337) = ( -0.5000000 0.2100195 0.4175112), wk = 0.0025907 k( 338) = ( -0.5000000 0.2100195 0.3976297), wk = 0.0025907 k( 339) = ( -0.5000000 0.2100195 0.3777482), wk = 0.0025907 k( 340) = ( -0.5000000 0.2100195 0.3578668), wk = 0.0025907 k( 341) = ( -0.5000000 0.2100195 0.3379853), wk = 0.0025907 k( 342) = ( -0.5000000 0.2100195 0.3181038), wk = 0.0025907 k( 343) = ( -0.5000000 0.2100195 0.2982223), wk = 0.0025907 k( 344) = ( -0.5000000 0.2100195 0.2783408), wk = 0.0025907 k( 345) = ( -0.5000000 0.2100195 0.2584593), wk = 0.0025907 k( 346) = ( -0.5000000 0.2100195 0.2385778), wk = 0.0025907 k( 347) = ( -0.5000000 0.2100195 0.2186964), wk = 0.0025907 k( 348) = ( -0.5000000 0.2100195 0.1988149), wk = 0.0025907 k( 349) = ( -0.5000000 0.2100195 0.1789334), wk = 0.0025907 k( 350) = ( -0.5000000 0.2100195 0.1590519), wk = 0.0025907 k( 351) = ( -0.5000000 0.2100195 0.1391704), wk = 0.0025907 k( 352) = ( -0.5000000 0.2100195 0.1192889), wk = 0.0025907 k( 353) = ( -0.5000000 0.2100195 0.0994074), wk = 0.0025907 k( 354) = ( -0.5000000 0.2100195 0.0795259), wk = 0.0025907 k( 355) = ( -0.5000000 0.2100195 0.0596445), wk = 0.0025907 k( 356) = ( -0.5000000 0.2100195 0.0397630), wk = 0.0025907 k( 357) = ( -0.5000000 0.2100195 0.0198815), wk = 0.0025907 k( 358) = ( -0.5000000 0.2100195 -0.0000000), wk = 0.0025907 k( 359) = ( 0.0000000 0.0000000 0.7952595), wk = 0.0025907 k( 360) = ( -0.0185185 0.0077785 0.7952595), wk = 0.0025907 k( 361) = ( -0.0370370 0.0155570 0.7952595), wk = 0.0025907 k( 362) = ( -0.0555556 0.0233355 0.7952595), wk = 0.0025907 k( 363) = ( -0.0740741 0.0311140 0.7952595), wk = 0.0025907 k( 364) = ( -0.0925926 0.0388925 0.7952595), wk = 0.0025907 k( 365) = ( -0.1111111 0.0466710 0.7952595), wk = 0.0025907 k( 366) = ( -0.1296296 0.0544495 0.7952595), wk = 0.0025907 k( 367) = ( -0.1481482 0.0622280 0.7952595), wk = 0.0025907 k( 368) = ( -0.1666667 0.0700065 0.7952595), wk = 0.0025907 k( 369) = ( -0.1851852 0.0777850 0.7952595), wk = 0.0025907 k( 370) = ( -0.2037037 0.0855635 0.7952595), wk = 0.0025907 k( 371) = ( -0.2222222 0.0933420 0.7952595), wk = 0.0025907 k( 372) = ( -0.2407407 0.1011205 0.7952595), wk = 0.0025907 k( 373) = ( -0.2592593 0.1088990 0.7952595), wk = 0.0025907 k( 374) = ( -0.2777778 0.1166775 0.7952595), wk = 0.0025907 k( 375) = ( -0.2962963 0.1244560 0.7952595), wk = 0.0025907 k( 376) = ( -0.3148148 0.1322345 0.7952595), wk = 0.0025907 k( 377) = ( -0.3333333 0.1400130 0.7952595), wk = 0.0025907 k( 378) = ( -0.3518519 0.1477915 0.7952595), wk = 0.0025907 k( 379) = ( -0.3703704 0.1555700 0.7952595), wk = 0.0025907 k( 380) = ( -0.3888889 0.1633485 0.7952595), wk = 0.0025907 k( 381) = ( -0.4074074 0.1711270 0.7952595), wk = 0.0025907 k( 382) = ( -0.4259259 0.1789055 0.7952595), wk = 0.0025907 k( 383) = ( -0.4444444 0.1866840 0.7952595), wk = 0.0025907 k( 384) = ( -0.4629630 0.1944625 0.7952595), wk = 0.0025907 k( 385) = ( -0.4814815 0.2022410 0.7952595), wk = 0.0025907 k( 386) = ( -0.5000000 0.2100195 0.7952595), wk = 0.0025907 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0077397 0.0077397 -0.0000000), wk = 0.0025907 k( 3) = ( 0.0154794 0.0154794 -0.0000000), wk = 0.0025907 k( 4) = ( 0.0232191 0.0232191 0.0000000), wk = 0.0025907 k( 5) = ( 0.0309588 0.0309588 -0.0000000), wk = 0.0025907 k( 6) = ( 0.0386985 0.0386984 -0.0000000), wk = 0.0025907 k( 7) = ( 0.0464381 0.0464381 0.0000000), wk = 0.0025907 k( 8) = ( 0.0541778 0.0541778 0.0000000), wk = 0.0025907 k( 9) = ( 0.0619175 0.0619175 0.0000000), wk = 0.0025907 k( 10) = ( 0.0696572 0.0696572 0.0000000), wk = 0.0025907 k( 11) = ( 0.0773969 0.0773969 0.0000000), wk = 0.0025907 k( 12) = ( 0.0851366 0.0851366 0.0000000), wk = 0.0025907 k( 13) = ( 0.0928763 0.0928763 -0.0000000), wk = 0.0025907 k( 14) = ( 0.1006160 0.1006160 0.0000000), wk = 0.0025907 k( 15) = ( 0.1083556 0.1083556 -0.0000000), wk = 0.0025907 k( 16) = ( 0.1160953 0.1160953 0.0000000), wk = 0.0025907 k( 17) = ( 0.1238350 0.1238350 0.0000000), wk = 0.0025907 k( 18) = ( 0.1315747 0.1315747 0.0000000), wk = 0.0025907 k( 19) = ( 0.1393144 0.1393144 -0.0000000), wk = 0.0025907 k( 20) = ( 0.1470541 0.1470541 -0.0000000), wk = 0.0025907 k( 21) = ( 0.1547938 0.1547938 0.0000000), wk = 0.0025907 k( 22) = ( 0.1625335 0.1625335 0.0000000), wk = 0.0025907 k( 23) = ( 0.1702732 0.1702732 0.0000000), wk = 0.0025907 k( 24) = ( 0.1780129 0.1780129 0.0000000), wk = 0.0025907 k( 25) = ( 0.1857525 0.1857525 -0.0000000), wk = 0.0025907 k( 26) = ( 0.1934922 0.1934922 -0.0000000), wk = 0.0025907 k( 27) = ( 0.2012319 0.2012319 0.0000000), wk = 0.0025907 k( 28) = ( 0.2089716 0.2089716 -0.0000000), wk = 0.0025907 k( 29) = ( 0.2167113 0.2167113 -0.0000000), wk = 0.0025907 k( 30) = ( 0.2244510 0.2244510 0.0000000), wk = 0.0025907 k( 31) = ( 0.2321907 0.2321907 0.0000000), wk = 0.0025907 k( 32) = ( 0.2399304 0.2399304 -0.0000000), wk = 0.0025907 k( 33) = ( 0.2476701 0.2476701 0.0000000), wk = 0.0025907 k( 34) = ( 0.2554097 0.2554097 0.0000000), wk = 0.0025907 k( 35) = ( 0.2631494 0.2631494 0.0000000), wk = 0.0025907 k( 36) = ( 0.2708891 0.2708891 0.0000000), wk = 0.0025907 k( 37) = ( 0.2786288 0.2786288 -0.0000000), wk = 0.0025907 k( 38) = ( 0.2863685 0.2863685 0.0000000), wk = 0.0025907 k( 39) = ( 0.2941082 0.2941082 -0.0000000), wk = 0.0025907 k( 40) = ( 0.2941082 0.2941082 -0.0000000), wk = 0.0025907 k( 41) = ( 0.2745010 0.3078343 0.0000000), wk = 0.0025907 k( 42) = ( 0.2548938 0.3215604 0.0000000), wk = 0.0025907 k( 43) = ( 0.2352866 0.3352866 -0.0000000), wk = 0.0025907 k( 44) = ( 0.2156793 0.3490127 0.0000000), wk = 0.0025907 k( 45) = ( 0.1960721 0.3627388 0.0000000), wk = 0.0025907 k( 46) = ( 0.1764649 0.3764649 0.0000000), wk = 0.0025907 k( 47) = ( 0.1568577 0.3901910 0.0000000), wk = 0.0025907 k( 48) = ( 0.1372505 0.4039172 0.0000000), wk = 0.0025907 k( 49) = ( 0.1176433 0.4176433 -0.0000000), wk = 0.0025907 k( 50) = ( 0.0980361 0.4313694 0.0000000), wk = 0.0025907 k( 51) = ( 0.0784288 0.4450955 0.0000000), wk = 0.0025907 k( 52) = ( 0.0588216 0.4588216 0.0000000), wk = 0.0025907 k( 53) = ( 0.0392144 0.4725478 0.0000000), wk = 0.0025907 k( 54) = ( 0.0196072 0.4862739 -0.0000000), wk = 0.0025907 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025907 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025907 k( 57) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0025907 k( 58) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0025907 k( 59) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0025907 k( 60) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0025907 k( 61) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0025907 k( 62) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0025907 k( 63) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0025907 k( 64) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025907 k( 65) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0025907 k( 66) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0025907 k( 67) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0025907 k( 68) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0025907 k( 69) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0025907 k( 70) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0025907 k( 71) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0025907 k( 72) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025907 k( 73) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0025907 k( 74) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0025907 k( 75) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0025907 k( 76) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025907 k( 77) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0025907 k( 78) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0025907 k( 79) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0025907 k( 80) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025907 k( 81) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0025907 k( 82) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0025907 k( 83) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0025907 k( 84) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0025907 k( 85) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0025907 k( 86) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0025907 k( 87) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0025907 k( 88) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025907 k( 89) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0025907 k( 90) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0025907 k( 91) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0025907 k( 92) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0025907 k( 93) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0025907 k( 94) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0025907 k( 95) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0025907 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025907 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025907 k( 98) = ( 0.0196072 0.4862739 0.5000000), wk = 0.0025907 k( 99) = ( 0.0392144 0.4725478 0.5000000), wk = 0.0025907 k( 100) = ( 0.0588216 0.4588216 0.5000000), wk = 0.0025907 k( 101) = ( 0.0784288 0.4450955 0.5000000), wk = 0.0025907 k( 102) = ( 0.0980361 0.4313694 0.5000000), wk = 0.0025907 k( 103) = ( 0.1176433 0.4176433 0.5000000), wk = 0.0025907 k( 104) = ( 0.1372505 0.4039172 0.5000000), wk = 0.0025907 k( 105) = ( 0.1568577 0.3901910 0.5000000), wk = 0.0025907 k( 106) = ( 0.1764649 0.3764649 0.5000000), wk = 0.0025907 k( 107) = ( 0.1960721 0.3627388 0.5000000), wk = 0.0025907 k( 108) = ( 0.2156793 0.3490127 0.5000000), wk = 0.0025907 k( 109) = ( 0.2352866 0.3352866 0.5000000), wk = 0.0025907 k( 110) = ( 0.2548938 0.3215604 0.5000000), wk = 0.0025907 k( 111) = ( 0.2745010 0.3078343 0.5000000), wk = 0.0025907 k( 112) = ( 0.2941082 0.2941082 0.5000000), wk = 0.0025907 k( 113) = ( 0.2941082 0.2941082 0.5000000), wk = 0.0025907 k( 114) = ( 0.2863685 0.2863685 0.5000000), wk = 0.0025907 k( 115) = ( 0.2786288 0.2786288 0.5000000), wk = 0.0025907 k( 116) = ( 0.2708891 0.2708891 0.5000000), wk = 0.0025907 k( 117) = ( 0.2631494 0.2631494 0.5000000), wk = 0.0025907 k( 118) = ( 0.2554097 0.2554097 0.5000000), wk = 0.0025907 k( 119) = ( 0.2476701 0.2476701 0.5000000), wk = 0.0025907 k( 120) = ( 0.2399304 0.2399304 0.5000000), wk = 0.0025907 k( 121) = ( 0.2321907 0.2321907 0.5000000), wk = 0.0025907 k( 122) = ( 0.2244510 0.2244510 0.5000000), wk = 0.0025907 k( 123) = ( 0.2167113 0.2167113 0.5000000), wk = 0.0025907 k( 124) = ( 0.2089716 0.2089716 0.5000000), wk = 0.0025907 k( 125) = ( 0.2012319 0.2012319 0.5000000), wk = 0.0025907 k( 126) = ( 0.1934922 0.1934922 0.5000000), wk = 0.0025907 k( 127) = ( 0.1857525 0.1857525 0.5000000), wk = 0.0025907 k( 128) = ( 0.1780129 0.1780129 0.5000000), wk = 0.0025907 k( 129) = ( 0.1702732 0.1702732 0.5000000), wk = 0.0025907 k( 130) = ( 0.1625335 0.1625335 0.5000000), wk = 0.0025907 k( 131) = ( 0.1547938 0.1547938 0.5000000), wk = 0.0025907 k( 132) = ( 0.1470541 0.1470541 0.5000000), wk = 0.0025907 k( 133) = ( 0.1393144 0.1393144 0.5000000), wk = 0.0025907 k( 134) = ( 0.1315747 0.1315747 0.5000000), wk = 0.0025907 k( 135) = ( 0.1238350 0.1238350 0.5000000), wk = 0.0025907 k( 136) = ( 0.1160953 0.1160953 0.5000000), wk = 0.0025907 k( 137) = ( 0.1083556 0.1083556 0.5000000), wk = 0.0025907 k( 138) = ( 0.1006160 0.1006160 0.5000000), wk = 0.0025907 k( 139) = ( 0.0928763 0.0928763 0.5000000), wk = 0.0025907 k( 140) = ( 0.0851366 0.0851366 0.5000000), wk = 0.0025907 k( 141) = ( 0.0773969 0.0773969 0.5000000), wk = 0.0025907 k( 142) = ( 0.0696572 0.0696572 0.5000000), wk = 0.0025907 k( 143) = ( 0.0619175 0.0619175 0.5000000), wk = 0.0025907 k( 144) = ( 0.0541778 0.0541778 0.5000000), wk = 0.0025907 k( 145) = ( 0.0464381 0.0464381 0.5000000), wk = 0.0025907 k( 146) = ( 0.0386985 0.0386984 0.5000000), wk = 0.0025907 k( 147) = ( 0.0309588 0.0309588 0.5000000), wk = 0.0025907 k( 148) = ( 0.0232191 0.0232191 0.5000000), wk = 0.0025907 k( 149) = ( 0.0154794 0.0154794 0.5000000), wk = 0.0025907 k( 150) = ( 0.0077397 0.0077397 0.5000000), wk = 0.0025907 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 153) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0025907 k( 154) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0025907 k( 155) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0025907 k( 156) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0025907 k( 157) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0025907 k( 158) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0025907 k( 159) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0025907 k( 160) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025907 k( 161) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0025907 k( 162) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025907 k( 163) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0025907 k( 164) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0025907 k( 165) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0025907 k( 166) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0025907 k( 167) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0025907 k( 168) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025907 k( 169) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0025907 k( 170) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0025907 k( 171) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0025907 k( 172) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025907 k( 173) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0025907 k( 176) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025907 k( 177) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0025907 k( 178) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0025907 k( 179) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0025907 k( 180) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0025907 k( 181) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0025907 k( 182) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025907 k( 183) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0025907 k( 184) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025907 k( 185) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0025907 k( 186) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0025907 k( 187) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0025907 k( 188) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0025907 k( 189) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0025907 k( 190) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0025907 k( 191) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0025907 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 194) = ( -0.0185185 0.0185185 0.0000000), wk = 0.0025907 k( 195) = ( -0.0370370 0.0370370 0.0000000), wk = 0.0025907 k( 196) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0025907 k( 197) = ( -0.0740741 0.0740741 0.0000000), wk = 0.0025907 k( 198) = ( -0.0925926 0.0925926 -0.0000000), wk = 0.0025907 k( 199) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0025907 k( 200) = ( -0.1296296 0.1296296 0.0000000), wk = 0.0025907 k( 201) = ( -0.1481482 0.1481482 0.0000000), wk = 0.0025907 k( 202) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0025907 k( 203) = ( -0.1851852 0.1851852 0.0000000), wk = 0.0025907 k( 204) = ( -0.2037037 0.2037037 -0.0000000), wk = 0.0025907 k( 205) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0025907 k( 206) = ( -0.2407407 0.2407407 0.0000000), wk = 0.0025907 k( 207) = ( -0.2592593 0.2592593 0.0000000), wk = 0.0025907 k( 208) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0025907 k( 209) = ( -0.2962963 0.2962963 0.0000000), wk = 0.0025907 k( 210) = ( -0.3148148 0.3148148 -0.0000000), wk = 0.0025907 k( 211) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0025907 k( 212) = ( -0.3518519 0.3518519 -0.0000000), wk = 0.0025907 k( 213) = ( -0.3703704 0.3703704 -0.0000000), wk = 0.0025907 k( 214) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0025907 k( 215) = ( -0.4074074 0.4074074 -0.0000000), wk = 0.0025907 k( 216) = ( -0.4259259 0.4259259 0.0000000), wk = 0.0025907 k( 217) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0025907 k( 218) = ( -0.4629630 0.4629630 0.0000000), wk = 0.0025907 k( 219) = ( -0.4814815 0.4814815 0.0000000), wk = 0.0025907 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025907 k( 221) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025907 k( 222) = ( -0.4923744 0.5076256 -0.0000000), wk = 0.0025907 k( 223) = ( -0.4847488 0.5152512 0.0000000), wk = 0.0025907 k( 224) = ( -0.4771231 0.5228769 0.0000000), wk = 0.0025907 k( 225) = ( -0.4694975 0.5305025 0.0000000), wk = 0.0025907 k( 226) = ( -0.4618719 0.5381281 0.0000000), wk = 0.0025907 k( 227) = ( -0.4542463 0.5457537 0.0000000), wk = 0.0025907 k( 228) = ( -0.4466206 0.5533794 0.0000000), wk = 0.0025907 k( 229) = ( -0.4389950 0.5610050 0.0000000), wk = 0.0025907 k( 230) = ( -0.4313694 0.5686306 0.0000000), wk = 0.0025907 k( 231) = ( -0.4237438 0.5762562 0.0000000), wk = 0.0025907 k( 232) = ( -0.4161182 0.5838819 0.0000000), wk = 0.0025907 k( 233) = ( -0.4084925 0.5915075 0.0000000), wk = 0.0025907 k( 234) = ( -0.4008669 0.5991331 0.0000000), wk = 0.0025907 k( 235) = ( -0.3932413 0.6067587 0.0000000), wk = 0.0025907 k( 236) = ( -0.3856157 0.6143843 -0.0000000), wk = 0.0025907 k( 237) = ( -0.3779900 0.6220100 0.0000000), wk = 0.0025907 k( 238) = ( -0.3703644 0.6296356 0.0000000), wk = 0.0025907 k( 239) = ( -0.3627388 0.6372612 0.0000000), wk = 0.0025907 k( 240) = ( -0.3551132 0.6448868 0.0000000), wk = 0.0025907 k( 241) = ( -0.3474875 0.6525125 0.0000000), wk = 0.0025907 k( 242) = ( -0.3398619 0.6601381 0.0000000), wk = 0.0025907 k( 243) = ( -0.3322363 0.6677637 0.0000000), wk = 0.0025907 k( 244) = ( -0.3246107 0.6753893 0.0000000), wk = 0.0025907 k( 245) = ( -0.3169851 0.6830149 0.0000000), wk = 0.0025907 k( 246) = ( -0.3093594 0.6906406 0.0000000), wk = 0.0025907 k( 247) = ( -0.3017338 0.6982662 -0.0000000), wk = 0.0025907 k( 248) = ( -0.2941082 0.7058918 0.0000000), wk = 0.0025907 k( 249) = ( -0.2941082 0.7058918 0.0000000), wk = 0.0025907 k( 250) = ( -0.2941082 0.7058918 0.0125000), wk = 0.0025907 k( 251) = ( -0.2941082 0.7058918 0.0250000), wk = 0.0025907 k( 252) = ( -0.2941082 0.7058918 0.0375000), wk = 0.0025907 k( 253) = ( -0.2941082 0.7058918 0.0500000), wk = 0.0025907 k( 254) = ( -0.2941082 0.7058918 0.0625000), wk = 0.0025907 k( 255) = ( -0.2941082 0.7058918 0.0750000), wk = 0.0025907 k( 256) = ( -0.2941082 0.7058918 0.0875000), wk = 0.0025907 k( 257) = ( -0.2941082 0.7058918 0.1000000), wk = 0.0025907 k( 258) = ( -0.2941082 0.7058918 0.1125000), wk = 0.0025907 k( 259) = ( -0.2941082 0.7058918 0.1250000), wk = 0.0025907 k( 260) = ( -0.2941082 0.7058918 0.1375000), wk = 0.0025907 k( 261) = ( -0.2941082 0.7058918 0.1500000), wk = 0.0025907 k( 262) = ( -0.2941082 0.7058918 0.1625000), wk = 0.0025907 k( 263) = ( -0.2941082 0.7058918 0.1750000), wk = 0.0025907 k( 264) = ( -0.2941082 0.7058918 0.1875000), wk = 0.0025907 k( 265) = ( -0.2941082 0.7058918 0.2000000), wk = 0.0025907 k( 266) = ( -0.2941082 0.7058918 0.2125000), wk = 0.0025907 k( 267) = ( -0.2941082 0.7058918 0.2250000), wk = 0.0025907 k( 268) = ( -0.2941082 0.7058918 0.2375000), wk = 0.0025907 k( 269) = ( -0.2941082 0.7058918 0.2500000), wk = 0.0025907 k( 270) = ( -0.2941082 0.7058918 0.2625000), wk = 0.0025907 k( 271) = ( -0.2941082 0.7058918 0.2750000), wk = 0.0025907 k( 272) = ( -0.2941082 0.7058918 0.2875000), wk = 0.0025907 k( 273) = ( -0.2941082 0.7058918 0.3000000), wk = 0.0025907 k( 274) = ( -0.2941082 0.7058918 0.3125000), wk = 0.0025907 k( 275) = ( -0.2941082 0.7058918 0.3250000), wk = 0.0025907 k( 276) = ( -0.2941082 0.7058918 0.3375000), wk = 0.0025907 k( 277) = ( -0.2941082 0.7058918 0.3500000), wk = 0.0025907 k( 278) = ( -0.2941082 0.7058918 0.3625000), wk = 0.0025907 k( 279) = ( -0.2941082 0.7058918 0.3750000), wk = 0.0025907 k( 280) = ( -0.2941082 0.7058918 0.3875000), wk = 0.0025907 k( 281) = ( -0.2941082 0.7058918 0.4000000), wk = 0.0025907 k( 282) = ( -0.2941082 0.7058918 0.4125000), wk = 0.0025907 k( 283) = ( -0.2941082 0.7058918 0.4250000), wk = 0.0025907 k( 284) = ( -0.2941082 0.7058918 0.4375000), wk = 0.0025907 k( 285) = ( -0.2941082 0.7058918 0.4500000), wk = 0.0025907 k( 286) = ( -0.2941082 0.7058918 0.4625000), wk = 0.0025907 k( 287) = ( -0.2941082 0.7058918 0.4750000), wk = 0.0025907 k( 288) = ( -0.2941082 0.7058918 0.4875000), wk = 0.0025907 k( 289) = ( -0.2941082 0.7058918 0.5000000), wk = 0.0025907 k( 290) = ( -0.2941082 0.7058918 0.5000000), wk = 0.0025907 k( 291) = ( -0.3017338 0.6982662 0.5000000), wk = 0.0025907 k( 292) = ( -0.3093594 0.6906406 0.5000000), wk = 0.0025907 k( 293) = ( -0.3169851 0.6830149 0.5000000), wk = 0.0025907 k( 294) = ( -0.3246107 0.6753893 0.5000000), wk = 0.0025907 k( 295) = ( -0.3322363 0.6677637 0.5000000), wk = 0.0025907 k( 296) = ( -0.3398619 0.6601381 0.5000000), wk = 0.0025907 k( 297) = ( -0.3474875 0.6525125 0.5000000), wk = 0.0025907 k( 298) = ( -0.3551132 0.6448868 0.5000000), wk = 0.0025907 k( 299) = ( -0.3627388 0.6372612 0.5000000), wk = 0.0025907 k( 300) = ( -0.3703644 0.6296356 0.5000000), wk = 0.0025907 k( 301) = ( -0.3779900 0.6220100 0.5000000), wk = 0.0025907 k( 302) = ( -0.3856157 0.6143843 0.5000000), wk = 0.0025907 k( 303) = ( -0.3932413 0.6067587 0.5000000), wk = 0.0025907 k( 304) = ( -0.4008669 0.5991331 0.5000000), wk = 0.0025907 k( 305) = ( -0.4084925 0.5915075 0.5000000), wk = 0.0025907 k( 306) = ( -0.4161182 0.5838819 0.5000000), wk = 0.0025907 k( 307) = ( -0.4237438 0.5762562 0.5000000), wk = 0.0025907 k( 308) = ( -0.4313694 0.5686306 0.5000000), wk = 0.0025907 k( 309) = ( -0.4389950 0.5610050 0.5000000), wk = 0.0025907 k( 310) = ( -0.4466206 0.5533794 0.5000000), wk = 0.0025907 k( 311) = ( -0.4542463 0.5457537 0.5000000), wk = 0.0025907 k( 312) = ( -0.4618719 0.5381281 0.5000000), wk = 0.0025907 k( 313) = ( -0.4694975 0.5305025 0.5000000), wk = 0.0025907 k( 314) = ( -0.4771231 0.5228769 0.5000000), wk = 0.0025907 k( 315) = ( -0.4847488 0.5152512 0.5000000), wk = 0.0025907 k( 316) = ( -0.4923744 0.5076256 0.5000000), wk = 0.0025907 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 319) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0025907 k( 320) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0025907 k( 321) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0025907 k( 322) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0025907 k( 323) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0025907 k( 324) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0025907 k( 325) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0025907 k( 326) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0025907 k( 327) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0025907 k( 328) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0025907 k( 329) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0025907 k( 330) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0025907 k( 331) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0025907 k( 332) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0025907 k( 333) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0025907 k( 334) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0025907 k( 335) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0025907 k( 336) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0025907 k( 337) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0025907 k( 338) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025907 k( 339) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0025907 k( 340) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0025907 k( 341) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0025907 k( 342) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0025907 k( 343) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0025907 k( 344) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0025907 k( 345) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0025907 k( 346) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0025907 k( 347) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0025907 k( 348) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0025907 k( 349) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0025907 k( 350) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0025907 k( 351) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0025907 k( 352) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0025907 k( 353) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0025907 k( 354) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0025907 k( 355) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0025907 k( 356) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0025907 k( 357) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0025907 k( 358) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025907 k( 359) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 360) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0025907 k( 361) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0025907 k( 362) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0025907 k( 363) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0025907 k( 364) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0025907 k( 365) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0025907 k( 366) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0025907 k( 367) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0025907 k( 368) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0025907 k( 369) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0025907 k( 370) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0025907 k( 371) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0025907 k( 372) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0025907 k( 373) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0025907 k( 374) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0025907 k( 375) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0025907 k( 376) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0025907 k( 377) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0025907 k( 378) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0025907 k( 379) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0025907 k( 380) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0025907 k( 381) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0025907 k( 382) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0025907 k( 383) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0025907 k( 384) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0025907 k( 385) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0025907 k( 386) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025907 Dense grid: 35865 G-vectors FFT dimensions: ( 54, 54, 36) Smooth grid: 31157 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 184, 36) NL pseudopotentials 0.14 Mb ( 92, 98) Each V/rho on FFT grid 0.04 Mb ( 2916) Each G-vector array 0.01 Mb ( 747) G-vector shells 0.00 Mb ( 390) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 184, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 98, 2, 36) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./BaSi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 42.7 secs Computing kpt #: 3 total cpu time spent up to now is 43.7 secs Computing kpt #: 4 total cpu time spent up to now is 44.6 secs Computing kpt #: 5 total cpu time spent up to now is 45.9 secs Computing kpt #: 6 total cpu time spent up to now is 47.0 secs Computing kpt #: 7 total cpu time spent up to now is 48.4 secs Computing kpt #: 8 total cpu time spent up to now is 49.9 secs Computing kpt #: 9 total cpu time spent up to now is 50.9 secs Computing kpt #: 10 total cpu time spent up to now is 51.9 secs Computing kpt #: 11 total cpu time spent up to now is 52.9 secs Computing kpt #: 12 total cpu time spent up to now is 53.8 secs Computing kpt #: 13 total cpu time spent up to now is 55.1 secs Computing kpt #: 14 total cpu time spent up to now is 56.3 secs Computing kpt #: 15 total cpu time spent up to now is 57.5 secs Computing kpt #: 16 total cpu time spent up to now is 58.5 secs Computing kpt #: 17 total cpu time spent up to now is 59.6 secs Computing kpt #: 18 total cpu time spent up to now is 60.8 secs Computing kpt #: 19 total cpu time spent up to now is 62.5 secs Computing kpt #: 20 total cpu time spent up to now is 63.8 secs Computing kpt #: 21 total cpu time spent up to now is 64.9 secs Computing kpt #: 22 total cpu time spent up to now is 66.2 secs Computing kpt #: 23 total cpu time spent up to now is 67.8 secs Computing kpt #: 24 total cpu time spent up to now is 69.0 secs Computing kpt #: 25 total cpu time spent up to now is 70.3 secs Computing kpt #: 26 total cpu time spent up to now is 71.4 secs Computing kpt #: 27 total cpu time spent up to now is 72.6 secs Computing kpt #: 28 total cpu time spent up to now is 73.8 secs Computing kpt #: 29 total cpu time spent up to now is 74.9 secs Computing kpt #: 30 total cpu time spent up to now is 76.3 secs Computing kpt #: 31 total cpu time spent up to now is 77.6 secs Computing kpt #: 32 total cpu time spent up to now is 78.8 secs Computing kpt #: 33 total cpu time spent up to now is 79.9 secs Computing kpt #: 34 total cpu time spent up to now is 81.0 secs Computing kpt #: 35 total cpu time spent up to now is 82.4 secs Computing kpt #: 36 total cpu time spent up to now is 83.8 secs Computing kpt #: 37 total cpu time spent up to now is 85.5 secs Computing kpt #: 38 total cpu time spent up to now is 86.9 secs Computing kpt #: 39 total cpu time spent up to now is 88.6 secs Computing kpt #: 40 total cpu time spent up to now is 90.3 secs Computing kpt #: 41 total cpu time spent up to now is 91.9 secs Computing kpt #: 42 total cpu time spent up to now is 93.7 secs Computing kpt #: 43 total cpu time spent up to now is 95.1 secs Computing kpt #: 44 total cpu time spent up to now is 96.3 secs Computing kpt #: 45 total cpu time spent up to now is 97.5 secs Computing kpt #: 46 total cpu time spent up to now is 98.5 secs Computing kpt #: 47 total cpu time spent up to now is 99.7 secs Computing kpt #: 48 total cpu time spent up to now is 100.7 secs Computing kpt #: 49 total cpu time spent up to now is 101.7 secs Computing kpt #: 50 total cpu time spent up to now is 102.7 secs Computing kpt #: 51 total cpu time spent up to now is 103.6 secs Computing kpt #: 52 total cpu time spent up to now is 104.6 secs Computing kpt #: 53 total cpu time spent up to now is 105.5 secs Computing kpt #: 54 total cpu time spent up to now is 106.5 secs Computing kpt #: 55 total cpu time spent up to now is 107.6 secs Computing kpt #: 56 total cpu time spent up to now is 108.7 secs Computing kpt #: 57 total cpu time spent up to now is 109.8 secs Computing kpt #: 58 total cpu time spent up to now is 110.7 secs Computing kpt #: 59 total cpu time spent up to now is 111.7 secs Computing kpt #: 60 total cpu time spent up to now is 112.6 secs Computing kpt #: 61 total cpu time spent up to now is 113.6 secs Computing kpt #: 62 total cpu time spent up to now is 114.7 secs Computing kpt #: 63 total cpu time spent up to now is 115.7 secs Computing kpt #: 64 total cpu time spent up to now is 116.8 secs Computing kpt #: 65 total cpu time spent up to now is 117.8 secs Computing kpt #: 66 total cpu time spent up to now is 118.8 secs Computing kpt #: 67 total cpu time spent up to now is 119.8 secs Computing kpt #: 68 total cpu time spent up to now is 120.8 secs Computing kpt #: 69 total cpu time spent up to now is 122.1 secs Computing kpt #: 70 total cpu time spent up to now is 123.2 secs Computing kpt #: 71 total cpu time spent up to now is 124.2 secs Computing kpt #: 72 total cpu time spent up to now is 125.1 secs Computing kpt #: 73 total cpu time spent up to now is 126.1 secs Computing kpt #: 74 total cpu time spent up to now is 127.2 secs Computing kpt #: 75 total cpu time spent up to now is 128.3 secs Computing kpt #: 76 total cpu time spent up to now is 129.3 secs Computing kpt #: 77 total cpu time spent up to now is 130.2 secs Computing kpt #: 78 total cpu time spent up to now is 131.2 secs Computing kpt #: 79 total cpu time spent up to now is 132.2 secs Computing kpt #: 80 total cpu time spent up to now is 133.4 secs Computing kpt #: 81 total cpu time spent up to now is 134.4 secs Computing kpt #: 82 total cpu time spent up to now is 135.5 secs Computing kpt #: 83 total cpu time spent up to now is 136.6 secs Computing kpt #: 84 total cpu time spent up to now is 137.8 secs Computing kpt #: 85 total cpu time spent up to now is 139.2 secs Computing kpt #: 86 total cpu time spent up to now is 140.5 secs Computing kpt #: 87 total cpu time spent up to now is 141.9 secs Computing kpt #: 88 total cpu time spent up to now is 143.3 secs Computing kpt #: 89 total cpu time spent up to now is 144.5 secs Computing kpt #: 90 total cpu time spent up to now is 145.8 secs Computing kpt #: 91 total cpu time spent up to now is 147.0 secs Computing kpt #: 92 total cpu time spent up to now is 148.3 secs Computing kpt #: 93 total cpu time spent up to now is 149.5 secs Computing kpt #: 94 total cpu time spent up to now is 150.6 secs Computing kpt #: 95 total cpu time spent up to now is 151.7 secs Computing kpt #: 96 total cpu time spent up to now is 152.8 secs Computing kpt #: 97 total cpu time spent up to now is 153.9 secs Computing kpt #: 98 total cpu time spent up to now is 155.0 secs Computing kpt #: 99 total cpu time spent up to now is 156.1 secs Computing kpt #: 100 total cpu time spent up to now is 157.1 secs Computing kpt #: 101 total cpu time spent up to now is 158.2 secs Computing kpt #: 102 total cpu time spent up to now is 159.2 secs Computing kpt #: 103 total cpu time spent up to now is 160.3 secs Computing kpt #: 104 total cpu time spent up to now is 161.3 secs Computing kpt #: 105 total cpu time spent up to now is 162.4 secs Computing kpt #: 106 total cpu time spent up to now is 163.3 secs Computing kpt #: 107 total cpu time spent up to now is 164.3 secs Computing kpt #: 108 total cpu time spent up to now is 165.3 secs Computing kpt #: 109 total cpu time spent up to now is 166.4 secs Computing kpt #: 110 total cpu time spent up to now is 167.4 secs Computing kpt #: 111 total cpu time spent up to now is 168.4 secs Computing kpt #: 112 total cpu time spent up to now is 169.4 secs Computing kpt #: 113 total cpu time spent up to now is 170.4 secs Computing kpt #: 114 total cpu time spent up to now is 171.4 secs Computing kpt #: 115 total cpu time spent up to now is 172.3 secs Computing kpt #: 116 total cpu time spent up to now is 173.4 secs Computing kpt #: 117 total cpu time spent up to now is 174.5 secs Computing kpt #: 118 total cpu time spent up to now is 175.5 secs Computing kpt #: 119 total cpu time spent up to now is 176.5 secs Computing kpt #: 120 total cpu time spent up to now is 177.5 secs Computing kpt #: 121 total cpu time spent up to now is 179.0 secs Computing kpt #: 122 total cpu time spent up to now is 180.1 secs Computing kpt #: 123 total cpu time spent up to now is 181.1 secs Computing kpt #: 124 total cpu time spent up to now is 182.1 secs Computing kpt #: 125 total cpu time spent up to now is 183.0 secs Computing kpt #: 126 total cpu time spent up to now is 184.1 secs Computing kpt #: 127 total cpu time spent up to now is 185.1 secs Computing kpt #: 128 total cpu time spent up to now is 186.1 secs Computing kpt #: 129 total cpu time spent up to now is 187.1 secs Computing kpt #: 130 total cpu time spent up to now is 188.0 secs Computing kpt #: 131 total cpu time spent up to now is 189.0 secs Computing kpt #: 132 total cpu time spent up to now is 190.4 secs Computing kpt #: 133 total cpu time spent up to now is 191.4 secs Computing kpt #: 134 total cpu time spent up to now is 192.5 secs Computing kpt #: 135 total cpu time spent up to now is 193.3 secs Computing kpt #: 136 total cpu time spent up to now is 194.1 secs Computing kpt #: 137 total cpu time spent up to now is 194.9 secs Computing kpt #: 138 total cpu time spent up to now is 195.7 secs Computing kpt #: 139 total cpu time spent up to now is 196.6 secs Computing kpt #: 140 total cpu time spent up to now is 197.5 secs Computing kpt #: 141 total cpu time spent up to now is 198.3 secs Computing kpt #: 142 total cpu time spent up to now is 199.1 secs Computing kpt #: 143 total cpu time spent up to now is 199.9 secs Computing kpt #: 144 total cpu time spent up to now is 200.7 secs Computing kpt #: 145 total cpu time spent up to now is 201.5 secs Computing kpt #: 146 total cpu time spent up to now is 202.3 secs Computing kpt #: 147 total cpu time spent up to now is 203.1 secs Computing kpt #: 148 total cpu time spent up to now is 204.0 secs Computing kpt #: 149 total cpu time spent up to now is 204.8 secs Computing kpt #: 150 total cpu time spent up to now is 205.6 secs Computing kpt #: 151 total cpu time spent up to now is 206.4 secs Computing kpt #: 152 total cpu time spent up to now is 207.2 secs Computing kpt #: 153 total cpu time spent up to now is 208.1 secs Computing kpt #: 154 total cpu time spent up to now is 208.9 secs Computing kpt #: 155 total cpu time spent up to now is 209.8 secs Computing kpt #: 156 total cpu time spent up to now is 210.7 secs Computing kpt #: 157 total cpu time spent up to now is 211.5 secs Computing kpt #: 158 total cpu time spent up to now is 212.2 secs Computing kpt #: 159 total cpu time spent up to now is 213.1 secs Computing kpt #: 160 total cpu time spent up to now is 214.1 secs Computing kpt #: 161 total cpu time spent up to now is 215.3 secs Computing kpt #: 162 total cpu time spent up to now is 216.2 secs Computing kpt #: 163 total cpu time spent up to now is 217.1 secs Computing kpt #: 164 total cpu time spent up to now is 218.1 secs Computing kpt #: 165 total cpu time spent up to now is 219.2 secs Computing kpt #: 166 total cpu time spent up to now is 221.5 secs Computing kpt #: 167 total cpu time spent up to now is 223.4 secs Computing kpt #: 168 total cpu time spent up to now is 224.9 secs Computing kpt #: 169 total cpu time spent up to now is 226.1 secs Computing kpt #: 170 total cpu time spent up to now is 227.7 secs Computing kpt #: 171 total cpu time spent up to now is 228.7 secs Computing kpt #: 172 total cpu time spent up to now is 229.7 secs Computing kpt #: 173 total cpu time spent up to now is 230.6 secs Computing kpt #: 174 total cpu time spent up to now is 231.8 secs Computing kpt #: 175 total cpu time spent up to now is 232.8 secs Computing kpt #: 176 total cpu time spent up to now is 233.7 secs Computing kpt #: 177 total cpu time spent up to now is 234.7 secs Computing kpt #: 178 total cpu time spent up to now is 235.6 secs Computing kpt #: 179 total cpu time spent up to now is 236.6 secs Computing kpt #: 180 total cpu time spent up to now is 237.5 secs Computing kpt #: 181 total cpu time spent up to now is 238.5 secs Computing kpt #: 182 total cpu time spent up to now is 239.5 secs Computing kpt #: 183 total cpu time spent up to now is 240.4 secs Computing kpt #: 184 total cpu time spent up to now is 241.4 secs Computing kpt #: 185 total cpu time spent up to now is 242.3 secs Computing kpt #: 186 total cpu time spent up to now is 243.3 secs Computing kpt #: 187 total cpu time spent up to now is 244.4 secs Computing kpt #: 188 total cpu time spent up to now is 245.5 secs Computing kpt #: 189 total cpu time spent up to now is 246.5 secs Computing kpt #: 190 total cpu time spent up to now is 247.5 secs Computing kpt #: 191 total cpu time spent up to now is 248.4 secs Computing kpt #: 192 total cpu time spent up to now is 249.4 secs Computing kpt #: 193 total cpu time spent up to now is 250.4 secs Computing kpt #: 194 total cpu time spent up to now is 251.4 secs Computing kpt #: 195 total cpu time spent up to now is 252.4 secs Computing kpt #: 196 total cpu time spent up to now is 253.4 secs Computing kpt #: 197 total cpu time spent up to now is 254.4 secs Computing kpt #: 198 total cpu time spent up to now is 255.4 secs Computing kpt #: 199 total cpu time spent up to now is 256.4 secs Computing kpt #: 200 total cpu time spent up to now is 257.6 secs Computing kpt #: 201 total cpu time spent up to now is 259.0 secs Computing kpt #: 202 total cpu time spent up to now is 260.0 secs Computing kpt #: 203 total cpu time spent up to now is 261.0 secs Computing kpt #: 204 total cpu time spent up to now is 262.1 secs Computing kpt #: 205 total cpu time spent up to now is 263.3 secs Computing kpt #: 206 total cpu time spent up to now is 264.4 secs Computing kpt #: 207 total cpu time spent up to now is 265.5 secs Computing kpt #: 208 total cpu time spent up to now is 266.6 secs Computing kpt #: 209 total cpu time spent up to now is 267.5 secs Computing kpt #: 210 total cpu time spent up to now is 268.5 secs Computing kpt #: 211 total cpu time spent up to now is 269.7 secs Computing kpt #: 212 total cpu time spent up to now is 271.2 secs Computing kpt #: 213 total cpu time spent up to now is 272.2 secs Computing kpt #: 214 total cpu time spent up to now is 273.2 secs Computing kpt #: 215 total cpu time spent up to now is 274.3 secs Computing kpt #: 216 total cpu time spent up to now is 275.5 secs Computing kpt #: 217 total cpu time spent up to now is 276.5 secs Computing kpt #: 218 total cpu time spent up to now is 277.4 secs Computing kpt #: 219 total cpu time spent up to now is 278.4 secs Computing kpt #: 220 total cpu time spent up to now is 279.4 secs Computing kpt #: 221 total cpu time spent up to now is 280.5 secs Computing kpt #: 222 total cpu time spent up to now is 281.4 secs Computing kpt #: 223 total cpu time spent up to now is 282.4 secs Computing kpt #: 224 total cpu time spent up to now is 283.4 secs Computing kpt #: 225 total cpu time spent up to now is 284.5 secs Computing kpt #: 226 total cpu time spent up to now is 285.7 secs Computing kpt #: 227 total cpu time spent up to now is 286.7 secs Computing kpt #: 228 total cpu time spent up to now is 287.8 secs Computing kpt #: 229 total cpu time spent up to now is 288.9 secs Computing kpt #: 230 total cpu time spent up to now is 289.9 secs Computing kpt #: 231 total cpu time spent up to now is 290.9 secs Computing kpt #: 232 total cpu time spent up to now is 291.9 secs Computing kpt #: 233 total cpu time spent up to now is 292.8 secs Computing kpt #: 234 total cpu time spent up to now is 293.9 secs Computing kpt #: 235 total cpu time spent up to now is 294.9 secs Computing kpt #: 236 total cpu time spent up to now is 296.2 secs Computing kpt #: 237 total cpu time spent up to now is 297.4 secs Computing kpt #: 238 total cpu time spent up to now is 298.6 secs Computing kpt #: 239 total cpu time spent up to now is 299.9 secs Computing kpt #: 240 total cpu time spent up to now is 301.5 secs Computing kpt #: 241 total cpu time spent up to now is 302.9 secs Computing kpt #: 242 total cpu time spent up to now is 304.3 secs Computing kpt #: 243 total cpu time spent up to now is 305.4 secs Computing kpt #: 244 total cpu time spent up to now is 306.5 secs Computing kpt #: 245 total cpu time spent up to now is 307.6 secs Computing kpt #: 246 total cpu time spent up to now is 308.8 secs Computing kpt #: 247 total cpu time spent up to now is 310.1 secs Computing kpt #: 248 total cpu time spent up to now is 311.9 secs Computing kpt #: 249 total cpu time spent up to now is 313.7 secs Computing kpt #: 250 total cpu time spent up to now is 315.1 secs Computing kpt #: 251 total cpu time spent up to now is 316.6 secs Computing kpt #: 252 total cpu time spent up to now is 318.2 secs Computing kpt #: 253 total cpu time spent up to now is 319.7 secs Computing kpt #: 254 total cpu time spent up to now is 320.8 secs Computing kpt #: 255 total cpu time spent up to now is 322.0 secs Computing kpt #: 256 total cpu time spent up to now is 323.0 secs Computing kpt #: 257 total cpu time spent up to now is 324.0 secs Computing kpt #: 258 total cpu time spent up to now is 325.0 secs Computing kpt #: 259 total cpu time spent up to now is 325.9 secs Computing kpt #: 260 total cpu time spent up to now is 326.8 secs Computing kpt #: 261 total cpu time spent up to now is 327.9 secs Computing kpt #: 262 total cpu time spent up to now is 328.9 secs Computing kpt #: 263 total cpu time spent up to now is 329.8 secs Computing kpt #: 264 total cpu time spent up to now is 330.8 secs Computing kpt #: 265 total cpu time spent up to now is 331.8 secs Computing kpt #: 266 total cpu time spent up to now is 332.9 secs Computing kpt #: 267 total cpu time spent up to now is 334.1 secs Computing kpt #: 268 total cpu time spent up to now is 335.2 secs Computing kpt #: 269 total cpu time spent up to now is 336.3 secs Computing kpt #: 270 total cpu time spent up to now is 337.4 secs Computing kpt #: 271 total cpu time spent up to now is 338.4 secs Computing kpt #: 272 total cpu time spent up to now is 339.7 secs Computing kpt #: 273 total cpu time spent up to now is 341.0 secs Computing kpt #: 274 total cpu time spent up to now is 342.1 secs Computing kpt #: 275 total cpu time spent up to now is 343.1 secs Computing kpt #: 276 total cpu time spent up to now is 344.2 secs Computing kpt #: 277 total cpu time spent up to now is 345.2 secs Computing kpt #: 278 total cpu time spent up to now is 346.3 secs Computing kpt #: 279 total cpu time spent up to now is 347.9 secs Computing kpt #: 280 total cpu time spent up to now is 349.2 secs Computing kpt #: 281 total cpu time spent up to now is 350.6 secs Computing kpt #: 282 total cpu time spent up to now is 352.0 secs Computing kpt #: 283 total cpu time spent up to now is 353.3 secs Computing kpt #: 284 total cpu time spent up to now is 354.7 secs Computing kpt #: 285 total cpu time spent up to now is 355.8 secs Computing kpt #: 286 total cpu time spent up to now is 356.9 secs Computing kpt #: 287 total cpu time spent up to now is 358.0 secs Computing kpt #: 288 total cpu time spent up to now is 359.0 secs Computing kpt #: 289 total cpu time spent up to now is 360.0 secs Computing kpt #: 290 total cpu time spent up to now is 361.0 secs Computing kpt #: 291 total cpu time spent up to now is 362.0 secs Computing kpt #: 292 total cpu time spent up to now is 362.9 secs Computing kpt #: 293 total cpu time spent up to now is 363.9 secs Computing kpt #: 294 total cpu time spent up to now is 365.0 secs Computing kpt #: 295 total cpu time spent up to now is 366.1 secs Computing kpt #: 296 total cpu time spent up to now is 367.1 secs Computing kpt #: 297 total cpu time spent up to now is 368.1 secs Computing kpt #: 298 total cpu time spent up to now is 369.1 secs Computing kpt #: 299 total cpu time spent up to now is 370.3 secs Computing kpt #: 300 total cpu time spent up to now is 371.5 secs Computing kpt #: 301 total cpu time spent up to now is 372.6 secs Computing kpt #: 302 total cpu time spent up to now is 373.7 secs Computing kpt #: 303 total cpu time spent up to now is 374.7 secs Computing kpt #: 304 total cpu time spent up to now is 375.8 secs Computing kpt #: 305 total cpu time spent up to now is 376.9 secs Computing kpt #: 306 total cpu time spent up to now is 378.5 secs Computing kpt #: 307 total cpu time spent up to now is 379.5 secs Computing kpt #: 308 total cpu time spent up to now is 380.5 secs Computing kpt #: 309 total cpu time spent up to now is 381.6 secs Computing kpt #: 310 total cpu time spent up to now is 382.8 secs Computing kpt #: 311 total cpu time spent up to now is 384.0 secs Computing kpt #: 312 total cpu time spent up to now is 385.7 secs Computing kpt #: 313 total cpu time spent up to now is 387.0 secs Computing kpt #: 314 total cpu time spent up to now is 388.0 secs Computing kpt #: 315 total cpu time spent up to now is 388.9 secs Computing kpt #: 316 total cpu time spent up to now is 389.9 secs Computing kpt #: 317 total cpu time spent up to now is 390.9 secs Computing kpt #: 318 total cpu time spent up to now is 391.8 secs Computing kpt #: 319 total cpu time spent up to now is 393.0 secs Computing kpt #: 320 total cpu time spent up to now is 394.1 secs Computing kpt #: 321 total cpu time spent up to now is 395.3 secs Computing kpt #: 322 total cpu time spent up to now is 396.3 secs Computing kpt #: 323 total cpu time spent up to now is 397.3 secs Computing kpt #: 324 total cpu time spent up to now is 398.6 secs Computing kpt #: 325 total cpu time spent up to now is 399.8 secs Computing kpt #: 326 total cpu time spent up to now is 401.0 secs Computing kpt #: 327 total cpu time spent up to now is 402.1 secs Computing kpt #: 328 total cpu time spent up to now is 403.1 secs Computing kpt #: 329 total cpu time spent up to now is 404.2 secs Computing kpt #: 330 total cpu time spent up to now is 405.1 secs Computing kpt #: 331 total cpu time spent up to now is 406.2 secs Computing kpt #: 332 total cpu time spent up to now is 407.4 secs Computing kpt #: 333 total cpu time spent up to now is 408.4 secs Computing kpt #: 334 total cpu time spent up to now is 409.4 secs Computing kpt #: 335 total cpu time spent up to now is 410.4 secs Computing kpt #: 336 total cpu time spent up to now is 411.4 secs Computing kpt #: 337 total cpu time spent up to now is 412.7 secs Computing kpt #: 338 total cpu time spent up to now is 413.8 secs Computing kpt #: 339 total cpu time spent up to now is 415.4 secs Computing kpt #: 340 total cpu time spent up to now is 416.5 secs Computing kpt #: 341 total cpu time spent up to now is 417.6 secs Computing kpt #: 342 total cpu time spent up to now is 418.7 secs Computing kpt #: 343 total cpu time spent up to now is 419.9 secs Computing kpt #: 344 total cpu time spent up to now is 421.1 secs Computing kpt #: 345 total cpu time spent up to now is 422.1 secs Computing kpt #: 346 total cpu time spent up to now is 423.1 secs Computing kpt #: 347 total cpu time spent up to now is 424.3 secs Computing kpt #: 348 total cpu time spent up to now is 425.5 secs Computing kpt #: 349 total cpu time spent up to now is 426.7 secs Computing kpt #: 350 total cpu time spent up to now is 427.9 secs Computing kpt #: 351 total cpu time spent up to now is 429.0 secs Computing kpt #: 352 total cpu time spent up to now is 430.3 secs Computing kpt #: 353 total cpu time spent up to now is 431.5 secs Computing kpt #: 354 total cpu time spent up to now is 432.6 secs Computing kpt #: 355 total cpu time spent up to now is 433.6 secs Computing kpt #: 356 total cpu time spent up to now is 434.6 secs Computing kpt #: 357 total cpu time spent up to now is 435.5 secs Computing kpt #: 358 total cpu time spent up to now is 436.5 secs Computing kpt #: 359 total cpu time spent up to now is 437.3 secs Computing kpt #: 360 total cpu time spent up to now is 438.1 secs Computing kpt #: 361 total cpu time spent up to now is 438.9 secs Computing kpt #: 362 total cpu time spent up to now is 439.8 secs Computing kpt #: 363 total cpu time spent up to now is 440.7 secs Computing kpt #: 364 total cpu time spent up to now is 441.4 secs Computing kpt #: 365 total cpu time spent up to now is 442.2 secs Computing kpt #: 366 total cpu time spent up to now is 443.1 secs Computing kpt #: 367 total cpu time spent up to now is 443.9 secs Computing kpt #: 368 total cpu time spent up to now is 444.8 secs Computing kpt #: 369 total cpu time spent up to now is 445.7 secs Computing kpt #: 370 total cpu time spent up to now is 446.6 secs Computing kpt #: 371 total cpu time spent up to now is 447.4 secs Computing kpt #: 372 total cpu time spent up to now is 448.3 secs Computing kpt #: 373 total cpu time spent up to now is 449.1 secs Computing kpt #: 374 total cpu time spent up to now is 449.9 secs Computing kpt #: 375 total cpu time spent up to now is 450.7 secs Computing kpt #: 376 total cpu time spent up to now is 451.6 secs Computing kpt #: 377 total cpu time spent up to now is 452.5 secs Computing kpt #: 378 total cpu time spent up to now is 453.6 secs Computing kpt #: 379 total cpu time spent up to now is 454.6 secs Computing kpt #: 380 total cpu time spent up to now is 455.7 secs Computing kpt #: 381 total cpu time spent up to now is 456.7 secs Computing kpt #: 382 total cpu time spent up to now is 457.7 secs Computing kpt #: 383 total cpu time spent up to now is 458.6 secs Computing kpt #: 384 total cpu time spent up to now is 459.6 secs Computing kpt #: 385 total cpu time spent up to now is 460.6 secs Computing kpt #: 386 total cpu time spent up to now is 461.7 secs ethr = 3.57E-11, avg # of iterations = 29.8 total cpu time spent up to now is 461.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3891 PWs) bands (ev): -22.0180 -22.0180 -17.8378 -17.8378 -9.6630 -9.6630 -6.7000 -6.7000 -5.9409 -5.9409 -4.5122 -4.5122 -3.2152 -3.2152 -1.4700 -1.4700 0.5447 0.5447 2.3149 2.3149 5.6958 5.6958 6.9407 6.9407 8.7531 8.7531 9.0079 9.0079 9.2166 9.2166 9.4928 9.4928 10.2709 10.2709 10.7417 10.7417 k = 0.0077 0.0184-0.0000 ( 3891 PWs) bands (ev): -22.0180 -22.0180 -17.8378 -17.8378 -9.6630 -9.6630 -6.7005 -6.7005 -5.9409 -5.9409 -4.5122 -4.5122 -3.2155 -3.2155 -1.4700 -1.4700 0.5468 0.5468 2.3139 2.3139 5.6976 5.6976 6.9424 6.9424 8.7303 8.7303 9.0314 9.0314 9.2173 9.2173 9.4854 9.4854 10.2664 10.2664 10.7386 10.7386 k = 0.0155 0.0369-0.0000 ( 3891 PWs) bands (ev): -22.0180 -22.0180 -17.8378 -17.8378 -9.6630 -9.6630 -6.7019 -6.7019 -5.9407 -5.9407 -4.5124 -4.5124 -3.2165 -3.2165 -1.4700 -1.4700 0.5533 0.5533 2.3109 2.3109 5.7028 5.7028 6.9475 6.9475 8.6772 8.6772 9.0864 9.0864 9.2194 9.2194 9.4639 9.4639 10.2532 10.2532 10.7295 10.7295 k = 0.0232 0.0553-0.0000 ( 3887 PWs) bands (ev): -22.0179 -22.0179 -17.8378 -17.8378 -9.6629 -9.6629 -6.7041 -6.7041 -5.9404 -5.9404 -4.5127 -4.5127 -3.2180 -3.2180 -1.4701 -1.4701 0.5639 0.5639 2.3059 2.3059 5.7114 5.7114 6.9560 6.9560 8.6122 8.6122 9.1529 9.1529 9.2235 9.2235 9.4300 9.4300 10.2318 10.2318 10.7145 10.7145 k = 0.0310 0.0737-0.0000 ( 3887 PWs) bands (ev): -22.0178 -22.0178 -17.8377 -17.8377 -9.6628 -9.6628 -6.7073 -6.7073 -5.9400 -5.9400 -4.5130 -4.5130 -3.2202 -3.2202 -1.4701 -1.4701 0.5787 0.5787 2.2990 2.2990 5.7236 5.7236 6.9677 6.9677 8.5430 8.5430 9.2024 9.2024 9.2468 9.2468 9.3884 9.3884 10.2028 10.2028 10.6942 10.6942 k = 0.0387 0.0921-0.0000 ( 3885 PWs) bands (ev): -22.0177 -22.0177 -17.8376 -17.8376 -9.6627 -9.6627 -6.7113 -6.7113 -5.9394 -5.9394 -4.5135 -4.5135 -3.2229 -3.2229 -1.4702 -1.4702 0.5976 0.5976 2.2903 2.2903 5.7391 5.7391 6.9826 6.9826 8.4726 8.4726 9.1978 9.1978 9.3115 9.3115 9.3521 9.3521 10.1673 10.1673 10.6689 10.6689 k = 0.0464 0.1106-0.0000 ( 3889 PWs) bands (ev): -22.0176 -22.0176 -17.8376 -17.8376 -9.6625 -9.6625 -6.7160 -6.7160 -5.9388 -5.9388 -4.5140 -4.5140 -3.2261 -3.2261 -1.4703 -1.4703 0.6205 0.6205 2.2798 2.2798 5.7580 5.7580 7.0004 7.0004 8.4024 8.4024 9.1613 9.1613 9.3160 9.3160 9.4003 9.4003 10.1266 10.1266 10.6391 10.6391 k = 0.0542 0.1290-0.0000 ( 3877 PWs) bands (ev): -22.0175 -22.0175 -17.8375 -17.8375 -9.6624 -9.6624 -6.7216 -6.7216 -5.9380 -5.9380 -4.5146 -4.5146 -3.2299 -3.2299 -1.4704 -1.4704 0.6471 0.6471 2.2676 2.2676 5.7803 5.7803 7.0210 7.0210 8.3330 8.3330 9.0967 9.0967 9.3100 9.3100 9.4798 9.4798 10.0823 10.0823 10.6056 10.6056 k = 0.0619 0.1474-0.0000 ( 3878 PWs) bands (ev): -22.0173 -22.0173 -17.8374 -17.8374 -9.6622 -9.6622 -6.7278 -6.7278 -5.9372 -5.9372 -4.5153 -4.5153 -3.2341 -3.2341 -1.4705 -1.4705 0.6774 0.6774 2.2539 2.2539 5.8059 5.8059 7.0443 7.0443 8.2650 8.2650 9.0145 9.0145 9.3123 9.3123 9.5612 9.5612 10.0362 10.0362 10.5687 10.5687 k = 0.0697 0.1658-0.0000 ( 3876 PWs) bands (ev): -22.0172 -22.0172 -17.8372 -17.8372 -9.6620 -9.6620 -6.7346 -6.7346 -5.9362 -5.9362 -4.5161 -4.5161 -3.2388 -3.2388 -1.4706 -1.4706 0.7113 0.7113 2.2388 2.2388 5.8347 5.8347 7.0699 7.0699 8.1987 8.1987 8.9219 8.9219 9.3163 9.3163 9.6433 9.6433 9.9910 9.9910 10.5291 10.5291 k = 0.0774 0.1843-0.0000 ( 3872 PWs) bands (ev): -22.0170 -22.0170 -17.8371 -17.8371 -9.6617 -9.6617 -6.7420 -6.7420 -5.9352 -5.9352 -4.5169 -4.5169 -3.2439 -3.2439 -1.4707 -1.4707 0.7483 0.7483 2.2223 2.2223 5.8667 5.8667 7.0977 7.0977 8.1342 8.1342 8.8225 8.8225 9.3177 9.3177 9.7257 9.7257 9.9496 9.9496 10.4873 10.4873 k = 0.0851 0.2027-0.0000 ( 3878 PWs) bands (ev): -22.0168 -22.0168 -17.8370 -17.8370 -9.6615 -9.6615 -6.7499 -6.7499 -5.9341 -5.9341 -4.5178 -4.5178 -3.2493 -3.2493 -1.4707 -1.4707 0.7885 0.7885 2.2047 2.2047 5.9017 5.9017 7.1274 7.1274 8.0717 8.0717 8.7184 8.7184 9.3126 9.3126 9.8080 9.8080 9.9159 9.9159 10.4438 10.4438 k = 0.0929 0.2211-0.0000 ( 3876 PWs) bands (ev): -22.0166 -22.0166 -17.8368 -17.8368 -9.6612 -9.6612 -6.7581 -6.7581 -5.9329 -5.9329 -4.5187 -4.5187 -3.2550 -3.2550 -1.4708 -1.4708 0.8315 0.8315 2.1861 2.1861 5.9396 5.9396 7.1586 7.1586 8.0115 8.0115 8.6111 8.6111 9.2977 9.2977 9.8868 9.8868 9.8968 9.8968 10.3993 10.3993 k = 0.1006 0.2395-0.0000 ( 3874 PWs) bands (ev): -22.0163 -22.0163 -17.8367 -17.8367 -9.6610 -9.6610 -6.7667 -6.7667 -5.9317 -5.9317 -4.5196 -4.5196 -3.2609 -3.2609 -1.4708 -1.4708 0.8770 0.8770 2.1666 2.1666 5.9802 5.9802 7.1912 7.1912 7.9536 7.9536 8.5017 8.5017 9.2705 9.2705 9.8841 9.8841 9.9729 9.9729 10.3540 10.3540 k = 0.1084 0.2580-0.0000 ( 3878 PWs) bands (ev): -22.0161 -22.0161 -17.8366 -17.8366 -9.6607 -9.6607 -6.7756 -6.7756 -5.9304 -5.9304 -4.5206 -4.5206 -3.2670 -3.2670 -1.4709 -1.4709 0.9249 0.9249 2.1464 2.1464 6.0234 6.0234 7.2249 7.2249 7.8981 7.8981 8.3913 8.3913 9.2307 9.2307 9.8905 9.8905 10.0546 10.0546 10.3084 10.3084 k = 0.1161 0.2764-0.0000 ( 3870 PWs) bands (ev): -22.0159 -22.0159 -17.8364 -17.8364 -9.6604 -9.6604 -6.7846 -6.7846 -5.9290 -5.9290 -4.5216 -4.5216 -3.2732 -3.2732 -1.4709 -1.4709 0.9747 0.9747 2.1256 2.1256 6.0687 6.0687 7.2593 7.2593 7.8452 7.8452 8.2808 8.2808 9.1795 9.1795 9.9108 9.9108 10.1360 10.1360 10.2631 10.2631 k = 0.1238 0.2948-0.0000 ( 3870 PWs) bands (ev): -22.0156 -22.0156 -17.8363 -17.8363 -9.6601 -9.6601 -6.7936 -6.7936 -5.9276 -5.9276 -4.5226 -4.5226 -3.2795 -3.2795 -1.4709 -1.4709 1.0264 1.0264 2.1044 2.1044 6.1158 6.1158 7.2943 7.2943 7.7950 7.7950 8.1712 8.1712 9.1194 9.1194 9.9429 9.9429 10.2144 10.2144 10.2210 10.2210 k = 0.1316 0.3132-0.0000 ( 3870 PWs) bands (ev): -22.0154 -22.0154 -17.8361 -17.8361 -9.6598 -9.6598 -6.8026 -6.8026 -5.9262 -5.9262 -4.5237 -4.5237 -3.2857 -3.2857 -1.4709 -1.4709 1.0794 1.0794 2.0829 2.0829 6.1641 6.1641 7.3295 7.3295 7.7475 7.7475 8.0636 8.0636 9.0527 9.0527 9.9844 9.9844 10.1746 10.1746 10.2979 10.2979 k = 0.1393 0.3317-0.0000 ( 3876 PWs) bands (ev): -22.0151 -22.0151 -17.8360 -17.8360 -9.6595 -9.6595 -6.8116 -6.8116 -5.9247 -5.9247 -4.5248 -4.5248 -3.2918 -3.2918 -1.4709 -1.4709 1.1335 1.1335 2.0613 2.0613 6.2131 6.2131 7.3646 7.3646 7.7029 7.7029 7.9590 7.9590 8.9814 8.9814 10.0318 10.0318 10.1345 10.1345 10.3781 10.3781 k = 0.1471 0.3501-0.0000 ( 3884 PWs) bands (ev): -22.0149 -22.0149 -17.8358 -17.8358 -9.6592 -9.6592 -6.8203 -6.8203 -5.9232 -5.9232 -4.5260 -4.5260 -3.2978 -3.2978 -1.4709 -1.4709 1.1885 1.1885 2.0396 2.0396 6.2617 6.2617 7.3994 7.3994 7.6612 7.6612 7.8589 7.8589 8.9071 8.9071 10.0630 10.0630 10.1186 10.1186 10.4578 10.4578 k = 0.1548 0.3685-0.0000 ( 3884 PWs) bands (ev): -22.0147 -22.0147 -17.8357 -17.8357 -9.6589 -9.6589 -6.8288 -6.8288 -5.9217 -5.9217 -4.5272 -4.5272 -3.3036 -3.3036 -1.4709 -1.4709 1.2438 1.2438 2.0179 2.0179 6.3088 6.3088 7.4335 7.4335 7.6225 7.6225 7.7649 7.7649 8.8311 8.8311 10.0370 10.0370 10.1670 10.1670 10.5370 10.5370 k = 0.1625 0.3869-0.0000 ( 3892 PWs) bands (ev): -22.0145 -22.0145 -17.8356 -17.8356 -9.6587 -9.6587 -6.8369 -6.8369 -5.9202 -5.9202 -4.5285 -4.5285 -3.3092 -3.3092 -1.4709 -1.4709 1.2992 1.2992 1.9965 1.9965 6.3527 6.3527 7.4664 7.4664 7.5869 7.5869 7.6794 7.6794 8.7542 8.7542 9.9999 9.9999 10.2331 10.2331 10.6148 10.6148 k = 0.1703 0.4054-0.0000 ( 3884 PWs) bands (ev): -22.0142 -22.0142 -17.8355 -17.8355 -9.6584 -9.6584 -6.8446 -6.8446 -5.9187 -5.9187 -4.5298 -4.5298 -3.3144 -3.3144 -1.4710 -1.4710 1.3544 1.3544 1.9755 1.9755 6.3912 6.3912 7.4964 7.4964 7.5544 7.5544 7.6064 7.6064 8.6772 8.6772 9.9628 9.9628 10.3048 10.3048 10.6583 10.6583 k = 0.1780 0.4238-0.0000 ( 3898 PWs) bands (ev): -22.0140 -22.0140 -17.8354 -17.8354 -9.6581 -9.6581 -6.8519 -6.8519 -5.9172 -5.9172 -4.5313 -4.5313 -3.3193 -3.3193 -1.4711 -1.4711 1.4088 1.4088 1.9548 1.9548 6.4217 6.4217 7.5106 7.5106 7.5248 7.5248 7.5616 7.5616 8.6006 8.6006 9.9270 9.9270 10.3798 10.3798 10.6351 10.6351 k = 0.1858 0.4422-0.0000 ( 3894 PWs) bands (ev): -22.0139 -22.0139 -17.8353 -17.8353 -9.6579 -9.6579 -6.8586 -6.8586 -5.9157 -5.9157 -4.5328 -4.5328 -3.3237 -3.3237 -1.4713 -1.4713 1.4621 1.4621 1.9346 1.9346 6.4414 6.4414 7.4834 7.4834 7.4980 7.4980 7.5737 7.5737 8.5251 8.5251 9.8929 9.8929 10.4545 10.4545 10.6130 10.6130 k = 0.1935 0.4607-0.0000 ( 3898 PWs) bands (ev): -22.0137 -22.0137 -17.8352 -17.8352 -9.6577 -9.6577 -6.8647 -6.8647 -5.9142 -5.9142 -4.5344 -4.5344 -3.3277 -3.3277 -1.4715 -1.4715 1.5139 1.5139 1.9149 1.9149 6.4478 6.4478 7.4589 7.4589 7.4752 7.4752 7.6000 7.6000 8.4510 8.4510 9.8607 9.8607 10.5123 10.5123 10.6100 10.6100 k = 0.2012 0.4791-0.0000 ( 3894 PWs) bands (ev): -22.0135 -22.0135 -17.8352 -17.8352 -9.6575 -9.6575 -6.8702 -6.8702 -5.9127 -5.9127 -4.5360 -4.5360 -3.3311 -3.3311 -1.4717 -1.4717 1.5638 1.5638 1.8960 1.8960 6.4399 6.4399 7.4527 7.4527 7.4557 7.4557 7.6268 7.6268 8.3788 8.3788 9.8306 9.8306 10.5162 10.5162 10.6625 10.6625 k = 0.2090 0.4975-0.0000 ( 3894 PWs) bands (ev): -22.0134 -22.0134 -17.8352 -17.8352 -9.6573 -9.6573 -6.8749 -6.8749 -5.9113 -5.9113 -4.5378 -4.5378 -3.3340 -3.3340 -1.4720 -1.4720 1.6112 1.6112 1.8777 1.8777 6.4184 6.4184 7.4393 7.4393 7.4657 7.4657 7.6525 7.6525 8.3090 8.3090 9.8026 9.8026 10.4919 10.4919 10.7442 10.7442 k = 0.2167 0.5159-0.0000 ( 3892 PWs) bands (ev): -22.0133 -22.0133 -17.8351 -17.8351 -9.6571 -9.6571 -6.8790 -6.8790 -5.9098 -5.9098 -4.5397 -4.5397 -3.3364 -3.3364 -1.4724 -1.4724 1.6559 1.6559 1.8601 1.8601 6.3859 6.3859 7.4263 7.4263 7.4954 7.4954 7.6763 7.6763 8.2422 8.2422 9.7768 9.7768 10.4601 10.4601 10.8332 10.8332 k = 0.2245 0.5344-0.0000 ( 3894 PWs) bands (ev): -22.0132 -22.0132 -17.8351 -17.8351 -9.6570 -9.6570 -6.8823 -6.8823 -5.9084 -5.9084 -4.5418 -4.5418 -3.3381 -3.3381 -1.4729 -1.4729 1.6973 1.6973 1.8434 1.8434 6.3458 6.3458 7.4168 7.4168 7.5382 7.5382 7.6980 7.6980 8.1792 8.1792 9.7532 9.7532 10.4246 10.4246 10.9254 10.9254 k = 0.2322 0.5528-0.0000 ( 3908 PWs) bands (ev): -22.0131 -22.0131 -17.8352 -17.8352 -9.6569 -9.6569 -6.8847 -6.8847 -5.9071 -5.9071 -4.5439 -4.5439 -3.3392 -3.3392 -1.4734 -1.4734 1.7350 1.7350 1.8275 1.8275 6.3014 6.3014 7.4106 7.4106 7.5898 7.5898 7.7177 7.7177 8.1214 8.1214 9.7318 9.7318 10.3860 10.3860 11.0193 11.0193 k = 0.2399 0.5712-0.0000 ( 3904 PWs) bands (ev): -22.0130 -22.0130 -17.8352 -17.8352 -9.6568 -9.6568 -6.8864 -6.8864 -5.9057 -5.9057 -4.5461 -4.5461 -3.3397 -3.3397 -1.4740 -1.4740 1.7686 1.7686 1.8124 1.8124 6.2558 6.2558 7.4078 7.4078 7.6432 7.6432 7.7376 7.7376 8.0705 8.0705 9.7127 9.7127 10.3448 10.3448 11.1141 11.1141 k = 0.2477 0.5896-0.0000 ( 3902 PWs) bands (ev): -22.0130 -22.0130 -17.8353 -17.8353 -9.6567 -9.6567 -6.8873 -6.8873 -5.9044 -5.9044 -4.5484 -4.5484 -3.3396 -3.3396 -1.4747 -1.4747 1.7975 1.7975 1.7983 1.7983 6.2113 6.2113 7.4085 7.4085 7.6831 7.6831 7.7673 7.7673 8.0297 8.0297 9.6959 9.6959 10.3014 10.3014 11.2089 11.2089 k = 0.2554 0.6081-0.0000 ( 3898 PWs) bands (ev): -22.0130 -22.0130 -17.8353 -17.8353 -9.6567 -9.6567 -6.8873 -6.8873 -5.9032 -5.9032 -4.5509 -4.5509 -3.3388 -3.3388 -1.4755 -1.4755 1.7848 1.7848 1.8217 1.8217 6.1700 6.1700 7.4126 7.4126 7.6940 7.6940 7.8156 7.8156 8.0041 8.0041 9.6813 9.6813 10.2566 10.2566 11.3028 11.3028 k = 0.2631 0.6265-0.0000 ( 3888 PWs) bands (ev): -22.0130 -22.0130 -17.8354 -17.8354 -9.6566 -9.6566 -6.8865 -6.8865 -5.9020 -5.9020 -4.5534 -4.5534 -3.3373 -3.3373 -1.4763 -1.4763 1.7723 1.7723 1.8406 1.8406 6.1333 6.1333 7.4202 7.4202 7.6827 7.6827 7.8657 7.8657 8.0018 8.0018 9.6689 9.6689 10.2109 10.2109 11.3948 11.3948 k = 0.2709 0.6449-0.0000 ( 3908 PWs) bands (ev): -22.0130 -22.0130 -17.8355 -17.8355 -9.6566 -9.6566 -6.8849 -6.8849 -5.9008 -5.9008 -4.5560 -4.5560 -3.3353 -3.3353 -1.4772 -1.4772 1.7606 1.7606 1.8541 1.8541 6.1023 6.1023 7.4312 7.4312 7.6578 7.6578 7.8980 7.8980 8.0324 8.0324 9.6587 9.6587 10.1655 10.1655 11.4830 11.4830 k = 0.2786 0.6633-0.0000 ( 3908 PWs) bands (ev): -22.0130 -22.0130 -17.8357 -17.8357 -9.6567 -9.6567 -6.8825 -6.8825 -5.8997 -5.8997 -4.5587 -4.5587 -3.3326 -3.3326 -1.4782 -1.4782 1.7497 1.7497 1.8619 1.8619 6.0780 6.0780 7.4457 7.4457 7.6246 7.6246 7.9135 7.9135 8.0882 8.0882 9.6506 9.6506 10.1215 10.1215 11.5614 11.5614 k = 0.2864 0.6818-0.0000 ( 3906 PWs) bands (ev): -22.0131 -22.0131 -17.8358 -17.8358 -9.6567 -9.6567 -6.8793 -6.8793 -5.8986 -5.8986 -4.5614 -4.5614 -3.3293 -3.3293 -1.4793 -1.4793 1.7396 1.7396 1.8641 1.8641 6.0608 6.0608 7.4635 7.4635 7.5873 7.5873 7.9231 7.9231 8.1529 8.1529 9.6446 9.6446 10.0801 10.0801 11.5928 11.5928 k = 0.2941 0.7002-0.0000 ( 3906 PWs) bands (ev): -22.0132 -22.0132 -17.8360 -17.8360 -9.6568 -9.6568 -6.8754 -6.8754 -5.8976 -5.8976 -4.5642 -4.5642 -3.3255 -3.3255 -1.4803 -1.4803 1.7302 1.7302 1.8606 1.8606 6.0514 6.0514 7.4842 7.4842 7.5488 7.5488 7.9312 7.9312 8.2183 8.2183 9.6405 9.6405 10.0427 10.0427 11.5875 11.5875 k = 0.2941 0.7002-0.0000 ( 3906 PWs) bands (ev): -22.0132 -22.0132 -17.8360 -17.8360 -9.6568 -9.6568 -6.8754 -6.8754 -5.8976 -5.8976 -4.5642 -4.5642 -3.3255 -3.3255 -1.4803 -1.4803 1.7302 1.7302 1.8606 1.8606 6.0514 6.0514 7.4842 7.4842 7.5488 7.5488 7.9312 7.9312 8.2183 8.2183 9.6405 9.6405 10.0427 10.0427 11.5875 11.5875 k = 0.2745 0.7002-0.0000 ( 3903 PWs) bands (ev): -22.0131 -22.0131 -17.8359 -17.8359 -9.6568 -9.6568 -6.8769 -6.8769 -5.8980 -5.8980 -4.5630 -4.5630 -3.3270 -3.3270 -1.4799 -1.4799 1.7332 1.7332 1.8628 1.8628 6.0562 6.0562 7.4759 7.4759 7.5525 7.5525 7.9287 7.9287 8.2046 8.2046 9.6416 9.6416 10.0567 10.0567 11.5764 11.5764 k = 0.2549 0.7002-0.0000 ( 3898 PWs) bands (ev): -22.0131 -22.0131 -17.8358 -17.8358 -9.6568 -9.6568 -6.8784 -6.8784 -5.8985 -5.8985 -4.5618 -4.5618 -3.3285 -3.3285 -1.4794 -1.4794 1.7356 1.7356 1.8643 1.8643 6.0664 6.0664 7.4677 7.4677 7.5340 7.5340 7.9267 7.9267 8.2129 8.2129 9.6426 9.6426 10.0724 10.0724 11.5373 11.5373 k = 0.2353 0.7002-0.0000 ( 3888 PWs) bands (ev): -22.0131 -22.0131 -17.8358 -17.8358 -9.6567 -9.6567 -6.8797 -6.8797 -5.8991 -5.8991 -4.5604 -4.5604 -3.3300 -3.3300 -1.4789 -1.4789 1.7379 1.7379 1.8648 1.8648 6.0820 6.0820 7.4594 7.4594 7.4962 7.4962 7.9243 7.9243 8.2412 8.2412 9.6432 9.6432 10.0897 10.0897 11.4809 11.4809 k = 0.2157 0.7002-0.0000 ( 3883 PWs) bands (ev): -22.0131 -22.0131 -17.8357 -17.8357 -9.6567 -9.6567 -6.8809 -6.8809 -5.8997 -5.8997 -4.5590 -4.5590 -3.3314 -3.3314 -1.4785 -1.4785 1.7402 1.7402 1.8643 1.8643 6.1028 6.1028 7.4388 7.4388 7.4567 7.4567 7.9207 7.9207 8.2849 8.2849 9.6435 9.6435 10.1089 10.1089 11.4149 11.4149 k = 0.1961 0.7002-0.0000 ( 3891 PWs) bands (ev): -22.0130 -22.0130 -17.8356 -17.8356 -9.6567 -9.6567 -6.8820 -6.8820 -5.9004 -5.9004 -4.5576 -4.5576 -3.3327 -3.3327 -1.4780 -1.4780 1.7429 1.7429 1.8625 1.8625 6.1287 6.1287 7.3789 7.3789 7.4475 7.4475 7.9161 7.9161 8.3386 8.3386 9.6434 9.6434 10.1302 10.1302 11.3428 11.3428 k = 0.1765 0.7002-0.0000 ( 3891 PWs) bands (ev): -22.0130 -22.0130 -17.8356 -17.8356 -9.6567 -9.6567 -6.8830 -6.8830 -5.9010 -5.9010 -4.5561 -4.5561 -3.3339 -3.3339 -1.4775 -1.4775 1.7460 1.7460 1.8596 1.8596 6.1594 6.1594 7.3108 7.3108 7.4410 7.4410 7.9107 7.9107 8.3978 8.3978 9.6430 9.6430 10.1538 10.1538 11.2665 11.2665 k = 0.1569 0.7002-0.0000 ( 3898 PWs) bands (ev): -22.0130 -22.0130 -17.8355 -17.8355 -9.6567 -9.6567 -6.8839 -6.8839 -5.9017 -5.9017 -4.5547 -4.5547 -3.3351 -3.3351 -1.4770 -1.4770 1.7496 1.7496 1.8557 1.8557 6.1947 6.1947 7.2392 7.2392 7.4354 7.4354 7.9049 7.9049 8.4590 8.4590 9.6422 9.6422 10.1800 10.1800 11.1872 11.1872 k = 0.1373 0.7002-0.0000 ( 3900 PWs) bands (ev): -22.0130 -22.0130 -17.8355 -17.8355 -9.6567 -9.6567 -6.8847 -6.8847 -5.9023 -5.9023 -4.5534 -4.5534 -3.3361 -3.3361 -1.4766 -1.4766 1.7538 1.7538 1.8507 1.8507 6.2343 6.2343 7.1658 7.1658 7.4303 7.4303 7.8992 7.8992 8.5196 8.5196 9.6412 9.6412 10.2090 10.2090 11.1063 11.1063 k = 0.1176 0.7002-0.0000 ( 3900 PWs) bands (ev): -22.0130 -22.0130 -17.8354 -17.8354 -9.6567 -9.6567 -6.8853 -6.8853 -5.9029 -5.9029 -4.5522 -4.5522 -3.3370 -3.3370 -1.4762 -1.4762 1.7586 1.7586 1.8449 1.8449 6.2778 6.2778 7.0920 7.0920 7.4260 7.4260 7.8938 7.8938 8.5773 8.5773 9.6401 9.6401 10.2412 10.2412 11.0249 11.0249 k = 0.0980 0.7002-0.0000 ( 3902 PWs) bands (ev): -22.0130 -22.0130 -17.8354 -17.8354 -9.6567 -9.6567 -6.8859 -6.8859 -5.9034 -5.9034 -4.5511 -4.5511 -3.3378 -3.3378 -1.4758 -1.4758 1.7640 1.7640 1.8384 1.8384 6.3247 6.3247 7.0189 7.0189 7.4223 7.4223 7.8889 7.8889 8.6300 8.6300 9.6389 9.6389 10.2769 10.2769 10.9441 10.9441 k = 0.0784 0.7002-0.0000 ( 3897 PWs) bands (ev): -22.0130 -22.0130 -17.8353 -17.8353 -9.6567 -9.6567 -6.8864 -6.8864 -5.9038 -5.9038 -4.5502 -4.5502 -3.3385 -3.3385 -1.4756 -1.4756 1.7699 1.7699 1.8314 1.8314 6.3743 6.3743 6.9475 6.9475 7.4192 7.4192 7.8847 7.8847 8.6760 8.6760 9.6378 9.6378 10.3162 10.3162 10.8655 10.8655 k = 0.0588 0.7002-0.0000 ( 3895 PWs) bands (ev): -22.0130 -22.0130 -17.8353 -17.8353 -9.6567 -9.6567 -6.8867 -6.8867 -5.9042 -5.9042 -4.5495 -4.5495 -3.3390 -3.3390 -1.4753 -1.4753 1.7763 1.7763 1.8241 1.8241 6.4253 6.4253 6.8793 6.8793 7.4168 7.4168 7.8812 7.8812 8.7137 8.7137 9.6368 9.6368 10.3585 10.3585 10.7907 10.7907 k = 0.0392 0.7002-0.0000 ( 3889 PWs) bands (ev): -22.0130 -22.0130 -17.8353 -17.8353 -9.6567 -9.6567 -6.8870 -6.8870 -5.9045 -5.9045 -4.5489 -4.5489 -3.3394 -3.3394 -1.4751 -1.4751 1.7829 1.7829 1.8167 1.8167 6.4751 6.4751 6.8172 6.8172 7.4151 7.4151 7.8787 7.8787 8.7417 8.7417 9.6360 9.6360 10.4023 10.4023 10.7228 10.7228 k = 0.0196 0.7002-0.0000 ( 3890 PWs) bands (ev): -22.0130 -22.0130 -17.8353 -17.8353 -9.6567 -9.6567 -6.8871 -6.8871 -5.9046 -5.9046 -4.5486 -4.5486 -3.3396 -3.3396 -1.4750 -1.4750 1.7892 1.7892 1.8099 1.8099 6.5170 6.5170 6.7679 6.7679 7.4141 7.4141 7.8772 7.8772 8.7590 8.7590 9.6355 9.6355 10.4416 10.4416 10.6686 10.6686 k = 0.0000 0.7002-0.0000 ( 3886 PWs) bands (ev): -22.0130 -22.0130 -17.8353 -17.8353 -9.6567 -9.6567 -6.8871 -6.8871 -5.9047 -5.9047 -4.5485 -4.5485 -3.3397 -3.3397 -1.4750 -1.4750 1.7927 1.7927 1.8063 1.8063 6.5353 6.5353 6.7470 6.7470 7.4138 7.4138 7.8767 7.8767 8.7648 8.7648 9.6354 9.6354 10.4600 10.4600 10.6452 10.6452 k = 0.0000 0.7002-0.0000 ( 3886 PWs) bands (ev): -22.0130 -22.0130 -17.8353 -17.8353 -9.6567 -9.6567 -6.8871 -6.8871 -5.9047 -5.9047 -4.5485 -4.5485 -3.3397 -3.3397 -1.4750 -1.4750 1.7927 1.7927 1.8063 1.8063 6.5353 6.5353 6.7470 6.7470 7.4138 7.4138 7.8767 7.8767 8.7648 8.7648 9.6354 9.6354 10.4600 10.4600 10.6452 10.6452 k = 0.0000 0.7002 0.0199 ( 3888 PWs) bands (ev): -22.0118 -22.0118 -17.8377 -17.8377 -9.6561 -9.6561 -6.8864 -6.8864 -5.9070 -5.9070 -4.5436 -4.5436 -3.3412 -3.3412 -1.4741 -1.4741 1.7920 1.7920 1.8069 1.8069 6.5358 6.5358 6.7476 6.7476 7.4155 7.4155 7.8714 7.8714 8.7671 8.7671 9.6274 9.6274 10.4613 10.4613 10.6460 10.6460 k = 0.0000 0.7002 0.0398 ( 3892 PWs) bands (ev): -22.0083 -22.0083 -17.8450 -17.8450 -9.6543 -9.6543 -6.8843 -6.8843 -5.9141 -5.9141 -4.5291 -4.5291 -3.3457 -3.3457 -1.4712 -1.4712 1.7899 1.7899 1.8084 1.8084 6.5372 6.5372 6.7494 6.7494 7.4208 7.4208 7.8555 7.8555 8.7738 8.7738 9.6039 9.6039 10.4651 10.4651 10.6482 10.6482 k = 0.0000 0.7002 0.0596 ( 3894 PWs) bands (ev): -22.0026 -22.0026 -17.8572 -17.8572 -9.6514 -9.6514 -6.8808 -6.8808 -5.9255 -5.9255 -4.5052 -4.5052 -3.3532 -3.3532 -1.4666 -1.4666 1.7867 1.7867 1.8108 1.8108 6.5396 6.5396 6.7523 6.7523 7.4295 7.4295 7.8294 7.8294 8.7849 8.7849 9.5662 9.5662 10.4707 10.4707 10.6513 10.6513 k = 0.0000 0.7002 0.0795 ( 3898 PWs) bands (ev): -21.9945 -21.9945 -17.8741 -17.8741 -9.6472 -9.6472 -6.8762 -6.8762 -5.9410 -5.9410 -4.4723 -4.4723 -3.3637 -3.3637 -1.4601 -1.4601 1.7824 1.7824 1.8139 1.8139 6.5430 6.5430 6.7563 6.7563 7.4415 7.4415 7.7939 7.7939 8.8000 8.8000 9.5159 9.5159 10.4775 10.4775 10.6545 10.6545 k = 0.0000 0.7002 0.0994 ( 3892 PWs) bands (ev): -21.9841 -21.9841 -17.8958 -17.8958 -9.6417 -9.6417 -6.8706 -6.8706 -5.9601 -5.9601 -4.4307 -4.4307 -3.3770 -3.3770 -1.4518 -1.4518 1.7772 1.7772 1.8178 1.8178 6.5476 6.5476 6.7612 6.7612 7.4565 7.4565 7.7499 7.7499 8.8186 8.8186 9.4549 9.4549 10.4849 10.4849 10.6565 10.6565 k = 0.0000 0.7002 0.1193 ( 3892 PWs) bands (ev): -21.9714 -21.9714 -17.9220 -17.9220 -9.6349 -9.6349 -6.8642 -6.8642 -5.9821 -5.9821 -4.3811 -4.3811 -3.3929 -3.3929 -1.4419 -1.4419 1.7712 1.7712 1.8224 1.8224 6.5533 6.5533 6.7669 6.7669 7.4744 7.4744 7.6983 7.6983 8.8401 8.8401 9.3851 9.3851 10.4928 10.4928 10.6556 10.6556 k = 0.0000 0.7002 0.1392 ( 3902 PWs) bands (ev): -21.9564 -21.9564 -17.9528 -17.9528 -9.6268 -9.6268 -6.8575 -6.8575 -6.0064 -6.0064 -4.3240 -4.3240 -3.4115 -3.4115 -1.4304 -1.4304 1.7644 1.7644 1.8277 1.8277 6.5602 6.5602 6.7733 6.7733 7.4949 7.4949 7.6404 7.6404 8.8637 8.8637 9.3084 9.3084 10.5010 10.5010 10.6497 10.6497 k = 0.0000 0.7002 0.1591 ( 3908 PWs) bands (ev): -21.9392 -21.9392 -17.9879 -17.9879 -9.6172 -9.6172 -6.8508 -6.8508 -6.0322 -6.0322 -4.2600 -4.2600 -3.4323 -3.4323 -1.4174 -1.4174 1.7571 1.7571 1.8336 1.8336 6.5683 6.5683 6.7799 6.7799 7.5174 7.5174 7.5778 7.5778 8.8883 8.8883 9.2263 9.2263 10.5098 10.5098 10.6368 10.6368 k = 0.0000 0.7002 0.1789 ( 3908 PWs) bands (ev): -21.9196 -21.9196 -18.0272 -18.0272 -9.6061 -9.6061 -6.8448 -6.8448 -6.0589 -6.0589 -4.1900 -4.1900 -3.4552 -3.4552 -1.4030 -1.4030 1.7493 1.7493 1.8402 1.8402 6.5777 6.5777 6.7866 6.7866 7.5090 7.5090 7.5445 7.5445 8.9125 8.9125 9.1404 9.1404 10.5194 10.5194 10.6156 10.6156 k = 0.0000 0.7002 0.1988 ( 3914 PWs) bands (ev): -21.8978 -21.8978 -18.0706 -18.0706 -9.5935 -9.5935 -6.8401 -6.8401 -6.0853 -6.0853 -4.1147 -4.1147 -3.4794 -3.4794 -1.3874 -1.3874 1.7412 1.7412 1.8473 1.8473 6.5881 6.5881 6.7926 6.7926 7.4413 7.4413 7.5703 7.5703 8.9346 8.9346 9.0522 9.0522 10.5299 10.5299 10.5865 10.5865 k = 0.0000 0.7002 0.2187 ( 3910 PWs) bands (ev): -21.8738 -21.8738 -18.1179 -18.1179 -9.5792 -9.5792 -6.8376 -6.8376 -6.1105 -6.1105 -4.0357 -4.0357 -3.5042 -3.5042 -1.3706 -1.3706 1.7330 1.7330 1.8549 1.8549 6.5996 6.5996 6.7972 6.7972 7.3724 7.3724 7.5986 7.5986 8.9459 8.9459 8.9696 8.9696 10.5411 10.5411 10.5523 10.5523 k = 0.0000 0.7002 0.2386 ( 3902 PWs) bands (ev): -21.8475 -21.8475 -18.1688 -18.1688 -9.5632 -9.5632 -6.8383 -6.8383 -6.1335 -6.1335 -3.9551 -3.9551 -3.5274 -3.5274 -1.3528 -1.3528 1.7249 1.7249 1.8629 1.8629 6.6118 6.6118 6.7993 6.7993 7.3053 7.3053 7.6281 7.6281 8.8686 8.8686 8.9693 8.9693 10.5147 10.5147 10.5553 10.5553 k = 0.0000 0.7002 0.2585 ( 3906 PWs) bands (ev): -21.8190 -21.8190 -18.2232 -18.2232 -9.5455 -9.5455 -6.8431 -6.8431 -6.1528 -6.1528 -3.8780 -3.8780 -3.5446 -3.5446 -1.3341 -1.3341 1.7170 1.7170 1.8712 1.8712 6.6242 6.6242 6.7974 6.7974 7.2426 7.2426 7.6586 7.6586 8.7788 8.7788 8.9739 8.9739 10.4814 10.4814 10.5697 10.5697 k = 0.0000 0.7002 0.2783 ( 3900 PWs) bands (ev): -21.7882 -21.7882 -18.2810 -18.2810 -9.5259 -9.5259 -6.8532 -6.8532 -6.1675 -6.1675 -3.8154 -3.8154 -3.5450 -3.5450 -1.3146 -1.3146 1.7096 1.7096 1.8798 1.8798 6.6359 6.6359 6.7897 6.7897 7.1878 7.1878 7.6897 7.6897 8.6898 8.6898 8.9689 8.9689 10.4556 10.4556 10.5857 10.5857 k = 0.0000 0.7002 0.2982 ( 3902 PWs) bands (ev): -21.7553 -21.7553 -18.3418 -18.3418 -9.5045 -9.5045 -6.8693 -6.8693 -6.1766 -6.1766 -3.7846 -3.7846 -3.5117 -3.5117 -1.2945 -1.2945 1.7027 1.7027 1.8886 1.8886 6.6447 6.6447 6.7754 6.7754 7.1440 7.1440 7.7212 7.7212 8.6027 8.6027 8.9523 8.9523 10.4410 10.4410 10.6031 10.6031 k = 0.0000 0.7002 0.3181 ( 3892 PWs) bands (ev): -21.7201 -21.7201 -18.4055 -18.4055 -9.4812 -9.4812 -6.8920 -6.8920 -6.1793 -6.1793 -3.7889 -3.7889 -3.4419 -3.4419 -1.2740 -1.2740 1.6966 1.6966 1.8974 1.8974 6.6456 6.6456 6.7579 6.7579 7.1134 7.1134 7.7526 7.7526 8.5181 8.5181 8.9236 8.9236 10.4400 10.4400 10.6218 10.6218 k = 0.0000 0.7002 0.3380 ( 3898 PWs) bands (ev): -21.6828 -21.6828 -18.4718 -18.4718 -9.4560 -9.4560 -6.9214 -6.9214 -6.1755 -6.1755 -3.8144 -3.8144 -3.3498 -3.3498 -1.2531 -1.2531 1.6913 1.6913 1.9062 1.9062 6.6296 6.6296 6.7468 6.7468 7.0955 7.0955 7.7836 7.7836 8.4367 8.4367 8.8828 8.8828 10.4534 10.4534 10.6417 10.6417 k = 0.0000 0.7002 0.3579 ( 3900 PWs) bands (ev): -21.6434 -21.6434 -18.5406 -18.5406 -9.4288 -9.4288 -6.9572 -6.9572 -6.1653 -6.1653 -3.8505 -3.8505 -3.2464 -3.2464 -1.2320 -1.2320 1.6870 1.6870 1.9149 1.9149 6.5933 6.5933 6.7479 6.7479 7.0880 7.0880 7.8138 7.8138 8.3592 8.3592 8.8313 8.8313 10.4809 10.4809 10.6628 10.6628 k = 0.0000 0.7002 0.3777 ( 3900 PWs) bands (ev): -21.6019 -21.6019 -18.6117 -18.6117 -9.3996 -9.3996 -6.9990 -6.9990 -6.1491 -6.1491 -3.8926 -3.8926 -3.1369 -3.1369 -1.2109 -1.2109 1.6839 1.6839 1.9232 1.9232 6.5446 6.5446 6.7566 6.7566 7.0877 7.0877 7.8428 7.8428 8.2861 8.2861 8.7710 8.7710 10.5212 10.5212 10.6848 10.6848 k = 0.0000 0.7002 0.3976 ( 3902 PWs) bands (ev): -21.5582 -21.5582 -18.6848 -18.6848 -9.3685 -9.3685 -7.0460 -7.0460 -6.1275 -6.1275 -3.9386 -3.9386 -3.0236 -3.0236 -1.1899 -1.1899 1.6820 1.6820 1.9312 1.9312 6.4905 6.4905 6.7682 6.7682 7.0922 7.0922 7.8699 7.8699 8.2180 8.2180 8.7039 8.7039 10.5729 10.5729 10.7077 10.7077 k = 0.0000 0.7002 0.4175 ( 3904 PWs) bands (ev): -21.5125 -21.5125 -18.7597 -18.7597 -9.3353 -9.3353 -7.0975 -7.0975 -6.1011 -6.1011 -3.9875 -3.9875 -2.9080 -2.9080 -1.1694 -1.1694 1.6813 1.6813 1.9387 1.9387 6.4352 6.4352 6.7802 6.7802 7.0997 7.0997 7.8947 7.8947 8.1555 8.1555 8.6323 8.6323 10.6340 10.6340 10.7313 10.7313 k = 0.0000 0.7002 0.4374 ( 3908 PWs) bands (ev): -21.4647 -21.4647 -18.8362 -18.8362 -9.3001 -9.3001 -7.1529 -7.1529 -6.0704 -6.0704 -4.0388 -4.0388 -2.7912 -2.7912 -1.1493 -1.1493 1.6820 1.6820 1.9456 1.9456 6.3812 6.3812 6.7914 6.7914 7.1088 7.1088 7.9161 7.9161 8.0993 8.0993 8.5581 8.5581 10.7027 10.7027 10.7556 10.7556 k = 0.0000 0.7002 0.4573 ( 3906 PWs) bands (ev): -21.4149 -21.4149 -18.9142 -18.9142 -9.2630 -9.2630 -7.2114 -7.2114 -6.0360 -6.0360 -4.0922 -4.0922 -2.6740 -2.6740 -1.1300 -1.1300 1.6841 1.6841 1.9517 1.9517 6.3299 6.3299 6.8008 6.8008 7.1188 7.1188 7.9328 7.9328 8.0507 8.0507 8.4832 8.4832 10.7734 10.7734 10.7847 10.7847 k = 0.0000 0.7002 0.4772 ( 3904 PWs) bands (ev): -21.3632 -21.3632 -18.9935 -18.9935 -9.2238 -9.2238 -7.2726 -7.2726 -5.9984 -5.9984 -4.1472 -4.1472 -2.5572 -2.5572 -1.1116 -1.1116 1.6876 1.6876 1.9570 1.9570 6.2824 6.2824 6.8075 6.8075 7.1292 7.1292 7.9410 7.9410 8.0131 8.0131 8.4092 8.4092 10.8034 10.8034 10.8595 10.8595 k = 0.0000 0.7002 0.4970 ( 3910 PWs) bands (ev): -21.3094 -21.3094 -19.0738 -19.0738 -9.1827 -9.1827 -7.3360 -7.3360 -5.9579 -5.9579 -4.2038 -4.2038 -2.4413 -2.4413 -1.0945 -1.0945 1.6924 1.6924 1.9613 1.9613 6.2396 6.2396 6.8110 6.8110 7.1396 7.1396 7.9326 7.9326 7.9939 7.9939 8.3376 8.3376 10.8283 10.8283 10.9431 10.9431 k = 0.0000 0.7002 0.5169 ( 3908 PWs) bands (ev): -21.2538 -21.2538 -19.1550 -19.1550 -9.1397 -9.1397 -7.4012 -7.4012 -5.9147 -5.9147 -4.2617 -4.2617 -2.3272 -2.3272 -1.0788 -1.0788 1.6986 1.6986 1.9645 1.9645 6.2021 6.2021 6.8104 6.8104 7.1500 7.1500 7.9107 7.9107 7.9896 7.9896 8.2696 8.2696 10.8530 10.8530 11.0294 11.0294 k = 0.0000 0.7002 0.5368 ( 3914 PWs) bands (ev): -21.1963 -21.1963 -19.2369 -19.2369 -9.0947 -9.0947 -7.4677 -7.4677 -5.8693 -5.8693 -4.3209 -4.3209 -2.2153 -2.2153 -1.0648 -1.0648 1.7062 1.7062 1.9666 1.9666 6.1704 6.1704 6.8050 6.8050 7.1606 7.1606 7.8878 7.8878 7.9867 7.9867 8.2065 8.2065 10.8774 10.8774 11.1169 11.1169 k = 0.0000 0.7002 0.5567 ( 3906 PWs) bands (ev): -21.1369 -21.1369 -19.3193 -19.3193 -9.0479 -9.0479 -7.5354 -7.5354 -5.8217 -5.8217 -4.3810 -4.3810 -2.1063 -2.1063 -1.0528 -1.0528 1.7150 1.7150 1.9674 1.9674 6.1448 6.1448 6.7945 6.7945 7.1717 7.1717 7.8682 7.8682 7.9795 7.9795 8.1495 8.1495 10.9016 10.9016 11.2038 11.2038 k = 0.0000 0.7002 0.5766 ( 3906 PWs) bands (ev): -21.0758 -21.0758 -19.4021 -19.4021 -8.9993 -8.9993 -7.6040 -7.6040 -5.7722 -5.7722 -4.4421 -4.4421 -2.0008 -2.0008 -1.0432 -1.0432 1.7250 1.7250 1.9670 1.9670 6.1257 6.1257 6.7782 6.7782 7.1837 7.1837 7.8529 7.8529 7.9658 7.9658 8.0998 8.0998 10.9254 10.9254 11.2876 11.2876 k = 0.0000 0.7002 0.5964 ( 3908 PWs) bands (ev): -21.0129 -21.0129 -19.4852 -19.4852 -8.9488 -8.9488 -7.6731 -7.6731 -5.7209 -5.7209 -4.5040 -4.5040 -1.8993 -1.8993 -1.0362 -1.0362 1.7361 1.7361 1.9652 1.9652 6.1132 6.1132 6.7562 6.7562 7.1972 7.1972 7.8415 7.8415 7.9449 7.9449 8.0581 8.0581 10.9490 10.9490 11.3630 11.3630 k = 0.0000 0.7002 0.6163 ( 3906 PWs) bands (ev): -20.9482 -20.9482 -19.5683 -19.5683 -8.8966 -8.8966 -7.7427 -7.7427 -5.6679 -5.6679 -4.5665 -4.5665 -1.8023 -1.8023 -1.0321 -1.0321 1.7481 1.7481 1.9620 1.9620 6.1076 6.1076 6.7284 6.7284 7.2127 7.2127 7.8329 7.8329 7.9175 7.9175 8.0239 8.0239 10.9723 10.9723 11.4195 11.4195 k = 0.0000 0.7002 0.6362 ( 3906 PWs) bands (ev): -20.8820 -20.8820 -19.6514 -19.6514 -8.8428 -8.8428 -7.8124 -7.8124 -5.6135 -5.6135 -4.6295 -4.6295 -1.7103 -1.7103 -1.0313 -1.0313 1.7610 1.7610 1.9574 1.9574 6.1087 6.1087 6.6951 6.6951 7.2307 7.2307 7.8246 7.8246 7.8874 7.8874 7.9955 7.9955 10.9955 10.9955 11.4422 11.4422 k = 0.0000 0.7002 0.6561 ( 3912 PWs) bands (ev): -20.8141 -20.8141 -19.7343 -19.7343 -8.7873 -8.7873 -7.8822 -7.8822 -5.5577 -5.5577 -4.6929 -4.6929 -1.6236 -1.6236 -1.0342 -1.0342 1.7746 1.7746 1.9515 1.9515 6.1165 6.1165 6.6571 6.6571 7.2519 7.2519 7.8100 7.8100 7.8622 7.8622 7.9711 7.9711 11.0186 11.0186 11.4316 11.4316 k = 0.0000 0.7002 0.6760 ( 3914 PWs) bands (ev): -20.7447 -20.7447 -19.8169 -19.8169 -8.7302 -8.7302 -7.9518 -7.9518 -5.5007 -5.5007 -4.7566 -4.7566 -1.5425 -1.5425 -1.0411 -1.0411 1.7888 1.7888 1.9442 1.9442 6.1309 6.1309 6.6150 6.6150 7.2764 7.2764 7.7806 7.7806 7.8509 7.8509 7.9499 7.9499 11.0419 11.0419 11.4034 11.4034 k = 0.0000 0.7002 0.6959 ( 3916 PWs) bands (ev): -20.6738 -20.6738 -19.8990 -19.8990 -8.6716 -8.6716 -8.0212 -8.0212 -5.4425 -5.4425 -4.8204 -4.8204 -1.4674 -1.4674 -1.0523 -1.0523 1.8034 1.8034 1.9356 1.9356 6.1515 6.1515 6.5698 6.5698 7.3048 7.3048 7.7404 7.7404 7.8492 7.8492 7.9316 7.9316 11.0656 11.0656 11.3687 11.3687 k = 0.0000 0.7002 0.7157 ( 3914 PWs) bands (ev): -20.6015 -20.6015 -19.9806 -19.9806 -8.6116 -8.6116 -8.0901 -8.0901 -5.3832 -5.3832 -4.8843 -4.8843 -1.3984 -1.3984 -1.0683 -1.0683 1.8182 1.8182 1.9258 1.9258 6.1779 6.1779 6.5224 6.5224 7.3370 7.3370 7.6952 7.6952 7.8514 7.8514 7.9160 7.9160 11.0899 11.0899 11.3324 11.3324 k = 0.0000 0.7002 0.7356 ( 3910 PWs) bands (ev): -20.5278 -20.5278 -20.0615 -20.0615 -8.5503 -8.5503 -8.1584 -8.1584 -5.3230 -5.3230 -4.9481 -4.9481 -1.3357 -1.3357 -1.0892 -1.0892 1.8331 1.8331 1.9149 1.9149 6.2096 6.2096 6.4738 6.4738 7.3731 7.3731 7.6474 7.6474 7.8555 7.8555 7.9028 7.9028 11.1150 11.1150 11.2965 11.2965 k = 0.0000 0.7002 0.7555 ( 3904 PWs) bands (ev): -20.4528 -20.4528 -20.1417 -20.1417 -8.4876 -8.4876 -8.2261 -8.2261 -5.2620 -5.2620 -5.0117 -5.0117 -1.2793 -1.2793 -1.1156 -1.1156 1.8479 1.8479 1.9030 1.9030 6.2460 6.2460 6.4249 6.4249 7.4128 7.4128 7.5985 7.5985 7.8608 7.8608 7.8918 7.8918 11.1413 11.1413 11.2619 11.2619 k = 0.0000 0.7002 0.7754 ( 3900 PWs) bands (ev): -20.3766 -20.3766 -20.2210 -20.2210 -8.4238 -8.4238 -8.2929 -8.2929 -5.2003 -5.2003 -5.0750 -5.0750 -1.2292 -1.2292 -1.1475 -1.1475 1.8625 1.8625 1.8902 1.8902 6.2866 6.2866 6.3769 6.3769 7.4559 7.4559 7.5495 7.5495 7.8671 7.8671 7.8823 7.8823 11.1690 11.1690 11.2291 11.2291 k = 0.0000 0.7002 0.7953 ( 3900 PWs) bands (ev): -20.2993 -20.2993 -20.2993 -20.2993 -8.3589 -8.3589 -8.3589 -8.3589 -5.1379 -5.1379 -5.1379 -5.1379 -1.1853 -1.1853 -1.1853 -1.1853 1.8766 1.8766 1.8766 1.8766 6.3305 6.3305 6.3305 6.3305 7.5017 7.5017 7.5017 7.5017 7.8742 7.8742 7.8742 7.8742 11.1982 11.1982 11.1982 11.1982 k = 0.0000 0.7002 0.7953 ( 3900 PWs) bands (ev): -20.2993 -20.2993 -20.2993 -20.2993 -8.3589 -8.3589 -8.3589 -8.3589 -5.1379 -5.1379 -5.1379 -5.1379 -1.1853 -1.1853 -1.1853 -1.1853 1.8766 1.8766 1.8766 1.8766 6.3305 6.3305 6.3305 6.3305 7.5017 7.5017 7.5017 7.5017 7.8742 7.8742 7.8742 7.8742 11.1982 11.1982 11.1982 11.1982 k = 0.0196 0.7002 0.7953 ( 3900 PWs) bands (ev): -20.2993 -20.2993 -20.2993 -20.2993 -8.3589 -8.3589 -8.3589 -8.3589 -5.1379 -5.1379 -5.1379 -5.1379 -1.1860 -1.1860 -1.1844 -1.1844 1.8744 1.8744 1.8787 1.8787 6.3314 6.3314 6.3315 6.3315 7.4984 7.4984 7.5032 7.5032 7.8718 7.8718 7.8741 7.8741 11.1948 11.1948 11.1951 11.1951 k = 0.0392 0.7002 0.7953 ( 3900 PWs) bands (ev): -20.2993 -20.2993 -20.2993 -20.2993 -8.3590 -8.3590 -8.3589 -8.3589 -5.1378 -5.1378 -5.1377 -5.1377 -1.1864 -1.1864 -1.1833 -1.1833 1.8723 1.8723 1.8808 1.8808 6.3343 6.3343 6.3344 6.3344 7.4932 7.4932 7.5027 7.5027 7.8671 7.8671 7.8715 7.8715 11.1851 11.1851 11.1856 11.1856 k = 0.0588 0.7002 0.7953 ( 3904 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3591 -8.3591 -8.3590 -8.3590 -5.1376 -5.1376 -5.1375 -5.1375 -1.1865 -1.1865 -1.1820 -1.1820 1.8702 1.8702 1.8828 1.8828 6.3390 6.3390 6.3392 6.3392 7.4859 7.4859 7.5001 7.5001 7.8603 7.8603 7.8668 7.8668 11.1699 11.1699 11.1702 11.1702 k = 0.0784 0.7002 0.7953 ( 3906 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3593 -8.3593 -8.3592 -8.3592 -5.1373 -5.1373 -5.1372 -5.1372 -1.1864 -1.1864 -1.1804 -1.1804 1.8681 1.8681 1.8847 1.8847 6.3457 6.3457 6.3458 6.3458 7.4764 7.4764 7.4950 7.4950 7.8518 7.8518 7.8604 7.8604 11.1496 11.1496 11.1499 11.1499 k = 0.0980 0.7002 0.7953 ( 3910 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3595 -8.3595 -8.3594 -8.3594 -5.1369 -5.1369 -5.1368 -5.1368 -1.1860 -1.1860 -1.1788 -1.1788 1.8661 1.8661 1.8865 1.8865 6.3542 6.3542 6.3542 6.3542 7.4645 7.4645 7.4871 7.4871 7.8422 7.8422 7.8527 7.8527 11.1249 11.1249 11.1261 11.1261 k = 0.1176 0.7002 0.7953 ( 3908 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3597 -8.3597 -8.3596 -8.3596 -5.1365 -5.1365 -5.1363 -5.1363 -1.1854 -1.1854 -1.1770 -1.1770 1.8643 1.8643 1.8882 1.8882 6.3643 6.3643 6.3644 6.3644 7.4498 7.4498 7.4760 7.4760 7.8322 7.8322 7.8446 7.8446 11.0970 11.0970 11.0993 11.0993 k = 0.1373 0.7002 0.7953 ( 3906 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3600 -8.3600 -8.3599 -8.3599 -5.1360 -5.1360 -5.1357 -5.1357 -1.1845 -1.1845 -1.1752 -1.1752 1.8626 1.8626 1.8897 1.8897 6.3759 6.3759 6.3762 6.3762 7.4321 7.4321 7.4616 7.4616 7.8224 7.8224 7.8364 7.8364 11.0669 11.0669 11.0704 11.0704 k = 0.1569 0.7002 0.7953 ( 3908 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3603 -8.3603 -8.3601 -8.3601 -5.1354 -5.1354 -5.1350 -5.1350 -1.1835 -1.1835 -1.1734 -1.1734 1.8612 1.8612 1.8912 1.8912 6.3889 6.3889 6.3896 6.3896 7.4114 7.4114 7.4437 7.4437 7.8132 7.8132 7.8289 7.8289 11.0354 11.0354 11.0402 11.0402 k = 0.1765 0.7002 0.7953 ( 3908 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3607 -8.3607 -8.3604 -8.3604 -5.1347 -5.1347 -5.1342 -5.1342 -1.1823 -1.1823 -1.1715 -1.1715 1.8600 1.8600 1.8924 1.8924 6.4031 6.4031 6.4042 6.4042 7.3879 7.3879 7.4223 7.4223 7.8051 7.8051 7.8222 7.8222 11.0035 11.0035 11.0094 11.0094 k = 0.1961 0.7002 0.7953 ( 3906 PWs) bands (ev): -20.2995 -20.2995 -20.2994 -20.2994 -8.3610 -8.3610 -8.3608 -8.3608 -5.1340 -5.1340 -5.1333 -5.1333 -1.1809 -1.1809 -1.1698 -1.1698 1.8591 1.8591 1.8936 1.8936 6.4181 6.4181 6.4198 6.4198 7.3619 7.3619 7.3980 7.3980 7.7983 7.7983 7.8166 7.8166 10.9718 10.9718 10.9788 10.9788 k = 0.2157 0.7002 0.7953 ( 3904 PWs) bands (ev): -20.2995 -20.2995 -20.2995 -20.2995 -8.3614 -8.3614 -8.3611 -8.3611 -5.1332 -5.1332 -5.1323 -5.1323 -1.1795 -1.1795 -1.1682 -1.1682 1.8585 1.8585 1.8946 1.8946 6.4338 6.4338 6.4362 6.4362 7.3340 7.3340 7.3712 7.3712 7.7928 7.7928 7.8121 7.8121 10.9410 10.9410 10.9488 10.9488 k = 0.2353 0.7002 0.7953 ( 3908 PWs) bands (ev): -20.2995 -20.2995 -20.2995 -20.2995 -8.3617 -8.3617 -8.3614 -8.3614 -5.1323 -5.1323 -5.1312 -5.1312 -1.1780 -1.1780 -1.1668 -1.1668 1.8582 1.8582 1.8955 1.8955 6.4495 6.4495 6.4529 6.4529 7.3050 7.3050 7.3429 7.3429 7.7886 7.7886 7.8084 7.8084 10.9115 10.9115 10.9199 10.9199 k = 0.2549 0.7002 0.7953 ( 3914 PWs) bands (ev): -20.2995 -20.2995 -20.2995 -20.2995 -8.3621 -8.3621 -8.3618 -8.3618 -5.1314 -5.1314 -5.1300 -5.1300 -1.1764 -1.1764 -1.1657 -1.1657 1.8583 1.8583 1.8963 1.8963 6.4648 6.4648 6.4693 6.4693 7.2759 7.2759 7.3140 7.3140 7.7854 7.7854 7.8055 7.8055 10.8839 10.8839 10.8927 10.8927 k = 0.2745 0.7002 0.7953 ( 3914 PWs) bands (ev): -20.2996 -20.2996 -20.2996 -20.2996 -8.3624 -8.3624 -8.3621 -8.3621 -5.1304 -5.1304 -5.1287 -5.1287 -1.1749 -1.1749 -1.1648 -1.1648 1.8588 1.8588 1.8970 1.8970 6.4791 6.4791 6.4848 6.4848 7.2480 7.2480 7.2859 7.2859 7.7831 7.7831 7.8029 7.8029 10.8584 10.8584 10.8674 10.8674 k = 0.2941 0.7002 0.7953 ( 3910 PWs) bands (ev): -20.2996 -20.2996 -20.2996 -20.2996 -8.3628 -8.3628 -8.3624 -8.3624 -5.1293 -5.1293 -5.1273 -5.1273 -1.1735 -1.1735 -1.1643 -1.1643 1.8597 1.8597 1.8976 1.8976 6.4913 6.4913 6.4986 6.4986 7.2224 7.2224 7.2598 7.2598 7.7815 7.7815 7.8005 7.8005 10.8352 10.8352 10.8441 10.8441 k = 0.2941 0.7002 0.7953 ( 3910 PWs) bands (ev): -20.2996 -20.2996 -20.2996 -20.2996 -8.3628 -8.3628 -8.3624 -8.3624 -5.1293 -5.1293 -5.1273 -5.1273 -1.1735 -1.1735 -1.1643 -1.1643 1.8597 1.8597 1.8976 1.8976 6.4913 6.4913 6.4986 6.4986 7.2224 7.2224 7.2598 7.2598 7.7815 7.7815 7.8005 7.8005 10.8352 10.8352 10.8441 10.8441 k = 0.2864 0.6818 0.7953 ( 3914 PWs) bands (ev): -20.2995 -20.2995 -20.2995 -20.2995 -8.3619 -8.3619 -8.3616 -8.3616 -5.1320 -5.1320 -5.1309 -5.1309 -1.1773 -1.1773 -1.1653 -1.1653 1.8571 1.8571 1.8965 1.8965 6.4613 6.4613 6.4647 6.4647 7.2849 7.2849 7.3239 7.3239 7.7871 7.7871 7.8087 7.8087 10.8921 10.8921 10.9018 10.9018 k = 0.2786 0.6633 0.7953 ( 3910 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3612 -8.3612 -8.3610 -8.3610 -5.1340 -5.1340 -5.1339 -5.1339 -1.1812 -1.1812 -1.1665 -1.1665 1.8550 1.8550 1.8959 1.8959 6.4296 6.4296 6.4297 6.4297 7.3459 7.3459 7.3859 7.3859 7.7967 7.7967 7.8203 7.8203 10.9465 10.9465 10.9574 10.9574 k = 0.2709 0.6449 0.7953 ( 3914 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3604 -8.3604 -8.3603 -8.3603 -5.1363 -5.1363 -5.1355 -5.1355 -1.1853 -1.1853 -1.1678 -1.1678 1.8535 1.8535 1.8958 1.8958 6.3945 6.3945 6.3971 6.3971 7.4042 7.4042 7.4451 7.4451 7.8100 7.8100 7.8349 7.8349 10.9968 10.9968 11.0094 11.0094 k = 0.2631 0.6265 0.7953 ( 3914 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3598 -8.3598 -8.3597 -8.3597 -5.1381 -5.1381 -5.1363 -5.1363 -1.1896 -1.1896 -1.1693 -1.1693 1.8525 1.8525 1.8963 1.8963 6.3594 6.3594 6.3643 6.3643 7.4588 7.4588 7.5006 7.5006 7.8267 7.8267 7.8521 7.8521 11.0410 11.0410 11.0557 11.0557 k = 0.2554 0.6081 0.7953 ( 3922 PWs) bands (ev): -20.2993 -20.2993 -20.2993 -20.2993 -8.3592 -8.3592 -8.3592 -8.3592 -5.1393 -5.1393 -5.1365 -5.1365 -1.1941 -1.1941 -1.1709 -1.1709 1.8521 1.8521 1.8972 1.8972 6.3251 6.3251 6.3318 6.3318 7.5090 7.5090 7.5518 7.5518 7.8466 7.8466 7.8716 7.8716 11.0766 11.0766 11.0936 11.0936 k = 0.2477 0.5896 0.7953 ( 3924 PWs) bands (ev): -20.2994 -20.2994 -20.2993 -20.2993 -8.3588 -8.3588 -8.3586 -8.3586 -5.1398 -5.1398 -5.1360 -5.1360 -1.1986 -1.1986 -1.1728 -1.1728 1.8523 1.8523 1.8987 1.8987 6.2918 6.2918 6.3000 6.3000 7.5536 7.5536 7.5978 7.5978 7.8693 7.8693 7.8929 7.8929 11.1004 11.1004 11.1197 11.1197 k = 0.2399 0.5712 0.7953 ( 3924 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3584 -8.3584 -8.3582 -8.3582 -5.1397 -5.1397 -5.1349 -5.1349 -1.2033 -1.2033 -1.1748 -1.1748 1.8531 1.8531 1.9007 1.9007 6.2600 6.2600 6.2693 6.2693 7.5921 7.5921 7.6378 7.6378 7.8948 7.8948 7.9159 7.9159 11.1091 11.1091 11.1302 11.1302 k = 0.2322 0.5528 0.7953 ( 3928 PWs) bands (ev): -20.2994 -20.2994 -20.2994 -20.2994 -8.3581 -8.3581 -8.3577 -8.3577 -5.1389 -5.1389 -5.1332 -5.1332 -1.2081 -1.2081 -1.1769 -1.1769 1.8543 1.8543 1.9032 1.9032 6.2300 6.2300 6.2400 6.2400 7.6237 7.6237 7.6711 7.6711 7.9227 7.9227 7.9405 7.9405 11.0998 11.0998 11.1218 11.1218 k = 0.2245 0.5344 0.7953 ( 3932 PWs) bands (ev): -20.2995 -20.2995 -20.2995 -20.2995 -8.3578 -8.3578 -8.3574 -8.3574 -5.1375 -5.1375 -5.1308 -5.1308 -1.2130 -1.2130 -1.1793 -1.1793 1.8561 1.8561 1.9060 1.9060 6.2020 6.2020 6.2125 6.2125 7.6479 7.6479 7.6970 7.6970 7.9529 7.9529 7.9668 7.9668 11.0707 11.0707 11.0924 11.0924 k = 0.2167 0.5159 0.7953 ( 3924 PWs) bands (ev): -20.2996 -20.2996 -20.2996 -20.2996 -8.3576 -8.3576 -8.3571 -8.3571 -5.1354 -5.1354 -5.1278 -5.1278 -1.2179 -1.2179 -1.1819 -1.1819 1.8583 1.8583 1.9092 1.9092 6.1763 6.1763 6.1871 6.1871 7.6645 7.6645 7.7147 7.7147 7.9848 7.9848 7.9948 7.9948 11.0218 11.0218 11.0423 11.0423 k = 0.2090 0.4975 0.7953 ( 3920 PWs) bands (ev): -20.2997 -20.2997 -20.2997 -20.2997 -8.3575 -8.3575 -8.3569 -8.3569 -5.1328 -5.1328 -5.1243 -5.1243 -1.2228 -1.2228 -1.1846 -1.1846 1.8610 1.8610 1.9128 1.9128 6.1532 6.1532 6.1639 6.1639 7.6733 7.6733 7.7240 7.7240 8.0183 8.0183 8.0244 8.0244 10.9548 10.9548 10.9736 10.9736 k = 0.2012 0.4791 0.7953 ( 3924 PWs) bands (ev): -20.2998 -20.2998 -20.2998 -20.2998 -8.3574 -8.3574 -8.3567 -8.3567 -5.1295 -5.1295 -5.1202 -5.1202 -1.2278 -1.2278 -1.1875 -1.1875 1.8640 1.8640 1.9165 1.9165 6.1328 6.1328 6.1432 6.1432 7.6747 7.6747 7.7249 7.7249 8.0527 8.0527 8.0553 8.0553 10.8725 10.8725 10.8896 10.8896 k = 0.1935 0.4607 0.7953 ( 3932 PWs) bands (ev): -20.2999 -20.2999 -20.2999 -20.2999 -8.3574 -8.3574 -8.3566 -8.3566 -5.1257 -5.1257 -5.1156 -5.1156 -1.2327 -1.2327 -1.1906 -1.1906 1.8674 1.8674 1.9205 1.9205 6.1153 6.1153 6.1253 6.1253 7.6687 7.6687 7.7178 7.7178 8.0872 8.0872 8.0878 8.0878 10.7780 10.7780 10.7936 10.7936 k = 0.1858 0.4422 0.7953 ( 3940 PWs) bands (ev): -20.3001 -20.3001 -20.3000 -20.3000 -8.3574 -8.3574 -8.3566 -8.3566 -5.1213 -5.1213 -5.1105 -5.1105 -1.2376 -1.2376 -1.1938 -1.1938 1.8710 1.8710 1.9246 1.9246 6.1010 6.1010 6.1102 6.1102 7.6559 7.6559 7.7032 7.7032 8.1195 8.1195 8.1231 8.1231 10.6745 10.6745 10.6891 10.6891 k = 0.1780 0.4238 0.7953 ( 3932 PWs) bands (ev): -20.3002 -20.3002 -20.3002 -20.3002 -8.3575 -8.3575 -8.3566 -8.3566 -5.1165 -5.1165 -5.1050 -5.1050 -1.2424 -1.2424 -1.1972 -1.1972 1.8748 1.8748 1.9288 1.9288 6.0898 6.0898 6.0982 6.0982 7.6369 7.6369 7.6819 7.6819 8.1517 8.1517 8.1581 8.1581 10.5645 10.5645 10.5787 10.5787 k = 0.1703 0.4054 0.7953 ( 3936 PWs) bands (ev): -20.3004 -20.3004 -20.3004 -20.3004 -8.3576 -8.3576 -8.3567 -8.3567 -5.1111 -5.1111 -5.0992 -5.0992 -1.2471 -1.2471 -1.2008 -1.2008 1.8788 1.8788 1.9329 1.9329 6.0821 6.0821 6.0895 6.0895 7.6123 7.6123 7.6547 7.6547 8.1832 8.1832 8.1924 8.1924 10.4505 10.4505 10.4649 10.4649 k = 0.1625 0.3869 0.7953 ( 3932 PWs) bands (ev): -20.3006 -20.3006 -20.3005 -20.3005 -8.3577 -8.3577 -8.3568 -8.3568 -5.1054 -5.1054 -5.0930 -5.0930 -1.2517 -1.2517 -1.2044 -1.2044 1.8829 1.8829 1.9370 1.9370 6.0778 6.0778 6.0840 6.0840 7.5828 7.5828 7.6223 7.6223 8.2134 8.2134 8.2257 8.2257 10.3344 10.3344 10.3495 10.3495 k = 0.1548 0.3685 0.7953 ( 3928 PWs) bands (ev): -20.3008 -20.3008 -20.3007 -20.3007 -8.3579 -8.3579 -8.3570 -8.3570 -5.0993 -5.0993 -5.0865 -5.0865 -1.2561 -1.2561 -1.2083 -1.2083 1.8870 1.8870 1.9409 1.9409 6.0772 6.0772 6.0820 6.0820 7.5491 7.5491 7.5856 7.5856 8.2418 8.2418 8.2573 8.2573 10.2177 10.2177 10.2343 10.2343 k = 0.1471 0.3501 0.7953 ( 3930 PWs) bands (ev): -20.3010 -20.3010 -20.3009 -20.3009 -8.3582 -8.3582 -8.3572 -8.3572 -5.0929 -5.0929 -5.0798 -5.0798 -1.2604 -1.2604 -1.2122 -1.2122 1.8912 1.8912 1.9445 1.9445 6.0802 6.0802 6.0835 6.0835 7.5120 7.5120 7.5455 7.5455 8.2676 8.2676 8.2866 8.2866 10.1021 10.1021 10.1206 10.1206 k = 0.1393 0.3317 0.7953 ( 3926 PWs) bands (ev): -20.3012 -20.3012 -20.3011 -20.3011 -8.3584 -8.3584 -8.3574 -8.3574 -5.0863 -5.0863 -5.0730 -5.0730 -1.2644 -1.2644 -1.2162 -1.2162 1.8953 1.8953 1.9479 1.9479 6.0869 6.0869 6.0887 6.0887 7.4723 7.4723 7.5027 7.5027 8.2902 8.2902 8.3129 8.3129 9.9889 9.9889 10.0100 10.0100 k = 0.1316 0.3132 0.7953 ( 3922 PWs) bands (ev): -20.3014 -20.3014 -20.3013 -20.3013 -8.3587 -8.3587 -8.3577 -8.3577 -5.0794 -5.0794 -5.0660 -5.0660 -1.2682 -1.2682 -1.2204 -1.2204 1.8993 1.8993 1.9510 1.9510 6.0974 6.0974 6.0974 6.0974 7.4305 7.4305 7.4579 7.4579 8.3087 8.3087 8.3355 8.3355 9.8795 9.8795 9.9037 9.9037 k = 0.1238 0.2948 0.7953 ( 3926 PWs) bands (ev): -20.3016 -20.3016 -20.3015 -20.3015 -8.3590 -8.3590 -8.3580 -8.3580 -5.0725 -5.0725 -5.0591 -5.0591 -1.2718 -1.2718 -1.2245 -1.2245 1.9032 1.9032 1.9538 1.9538 6.1099 6.1099 6.1116 6.1116 7.3875 7.3875 7.4118 7.4118 8.3221 8.3221 8.3532 8.3532 9.7755 9.7755 9.8031 9.8031 k = 0.1161 0.2764 0.7953 ( 3930 PWs) bands (ev): -20.3018 -20.3018 -20.3017 -20.3017 -8.3593 -8.3593 -8.3583 -8.3583 -5.0654 -5.0654 -5.0522 -5.0522 -1.2751 -1.2751 -1.2288 -1.2288 1.9070 1.9070 1.9561 1.9561 6.1261 6.1261 6.1296 6.1296 7.3437 7.3437 7.3649 7.3649 8.3296 8.3296 8.3651 8.3651 9.6784 9.6784 9.7096 9.7096 k = 0.1084 0.2580 0.7953 ( 3928 PWs) bands (ev): -20.3020 -20.3020 -20.3019 -20.3019 -8.3596 -8.3596 -8.3586 -8.3586 -5.0584 -5.0584 -5.0454 -5.0454 -1.2781 -1.2781 -1.2330 -1.2330 1.9106 1.9106 1.9580 1.9580 6.1458 6.1458 6.1513 6.1513 7.2996 7.2996 7.3178 7.3178 8.3303 8.3303 8.3699 8.3699 9.5896 9.5896 9.6246 9.6246 k = 0.1006 0.2395 0.7953 ( 3924 PWs) bands (ev): -20.3022 -20.3022 -20.3021 -20.3021 -8.3599 -8.3599 -8.3590 -8.3590 -5.0514 -5.0514 -5.0388 -5.0388 -1.2808 -1.2808 -1.2373 -1.2373 1.9140 1.9140 1.9595 1.9595 6.1692 6.1692 6.1765 6.1765 7.2556 7.2556 7.2708 7.2708 8.3232 8.3232 8.3666 8.3666 9.5108 9.5108 9.5490 9.5490 k = 0.0929 0.2211 0.7953 ( 3920 PWs) bands (ev): -20.3023 -20.3023 -20.3023 -20.3023 -8.3602 -8.3602 -8.3593 -8.3593 -5.0446 -5.0446 -5.0324 -5.0324 -1.2831 -1.2831 -1.2416 -1.2416 1.9173 1.9173 1.9605 1.9605 6.1961 6.1961 6.2053 6.2053 7.2120 7.2120 7.2242 7.2242 8.3081 8.3081 8.3543 8.3543 9.4431 9.4431 9.4838 9.4838 k = 0.0851 0.2027 0.7953 ( 3922 PWs) bands (ev): -20.3025 -20.3025 -20.3025 -20.3025 -8.3606 -8.3606 -8.3597 -8.3597 -5.0379 -5.0379 -5.0263 -5.0263 -1.2851 -1.2851 -1.2458 -1.2458 1.9204 1.9204 1.9612 1.9612 6.2263 6.2263 6.2374 6.2374 7.1692 7.1692 7.1783 7.1783 8.2849 8.2849 8.3326 8.3326 9.3873 9.3873 9.4294 9.4294 k = 0.0774 0.1843 0.7953 ( 3914 PWs) bands (ev): -20.3027 -20.3027 -20.3027 -20.3027 -8.3608 -8.3608 -8.3600 -8.3600 -5.0315 -5.0315 -5.0206 -5.0206 -1.2868 -1.2868 -1.2499 -1.2499 1.9233 1.9233 1.9614 1.9614 6.2596 6.2596 6.2726 6.2726 7.1271 7.1271 7.1332 7.1332 8.2543 8.2543 8.3022 8.3022 9.3433 9.3433 9.3855 9.3855 k = 0.0697 0.1658 0.7953 ( 3916 PWs) bands (ev): -20.3029 -20.3029 -20.3028 -20.3028 -8.3611 -8.3611 -8.3604 -8.3604 -5.0255 -5.0255 -5.0153 -5.0153 -1.2881 -1.2881 -1.2540 -1.2540 1.9262 1.9262 1.9612 1.9612 6.2959 6.2959 6.3107 6.3107 7.0859 7.0859 7.0889 7.0889 8.2176 8.2176 8.2641 8.2641 9.3105 9.3105 9.3512 9.3512 k = 0.0619 0.1474 0.7953 ( 3920 PWs) bands (ev): -20.3030 -20.3030 -20.3030 -20.3030 -8.3614 -8.3614 -8.3607 -8.3607 -5.0198 -5.0198 -5.0105 -5.0105 -1.2890 -1.2890 -1.2580 -1.2580 1.9288 1.9288 1.9606 1.9606 6.3349 6.3349 6.3513 6.3513 7.0453 7.0453 7.0454 7.0454 8.1769 8.1769 8.2206 8.2206 9.2872 9.2872 9.3253 9.3253 k = 0.0542 0.1290 0.7953 ( 3916 PWs) bands (ev): -20.3031 -20.3031 -20.3031 -20.3031 -8.3616 -8.3616 -8.3610 -8.3610 -5.0145 -5.0145 -5.0062 -5.0062 -1.2895 -1.2895 -1.2618 -1.2618 1.9314 1.9314 1.9597 1.9597 6.3762 6.3762 6.3942 6.3942 7.0024 7.0024 7.0055 7.0055 8.1341 8.1341 8.1740 8.1740 9.2718 9.2718 9.3064 9.3064 k = 0.0464 0.1106 0.7953 ( 3916 PWs) bands (ev): -20.3033 -20.3033 -20.3032 -20.3032 -8.3618 -8.3618 -8.3612 -8.3612 -5.0098 -5.0098 -5.0025 -5.0025 -1.2897 -1.2897 -1.2655 -1.2655 1.9339 1.9339 1.9586 1.9586 6.4196 6.4196 6.4388 6.4388 6.9599 6.9599 6.9660 6.9660 8.0917 8.0917 8.1269 8.1269 9.2625 9.2625 9.2929 9.2929 k = 0.0387 0.0921 0.7953 ( 3912 PWs) bands (ev): -20.3034 -20.3034 -20.3033 -20.3033 -8.3619 -8.3619 -8.3615 -8.3615 -5.0056 -5.0056 -4.9994 -4.9994 -1.2895 -1.2895 -1.2690 -1.2690 1.9363 1.9363 1.9572 1.9572 6.4645 6.4645 6.4848 6.4848 6.9175 6.9175 6.9266 6.9266 8.0518 8.0518 8.0818 8.0818 9.2577 9.2577 9.2833 9.2833 k = 0.0310 0.0737 0.7953 ( 3908 PWs) bands (ev): -20.3034 -20.3034 -20.3034 -20.3034 -8.3621 -8.3621 -8.3617 -8.3617 -5.0019 -5.0019 -4.9969 -4.9969 -1.2889 -1.2889 -1.2723 -1.2723 1.9387 1.9387 1.9555 1.9555 6.5106 6.5106 6.5317 6.5317 6.8749 6.8749 6.8868 6.8868 8.0166 8.0166 8.0409 8.0409 9.2559 9.2559 9.2766 9.2766 k = 0.0232 0.0553 0.7953 ( 3908 PWs) bands (ev): -20.3035 -20.3035 -20.3035 -20.3035 -8.3621 -8.3621 -8.3619 -8.3619 -4.9989 -4.9989 -4.9951 -4.9951 -1.2880 -1.2880 -1.2754 -1.2754 1.9410 1.9410 1.9537 1.9537 6.5573 6.5573 6.5788 6.5788 6.8319 6.8319 6.8464 6.8464 7.9878 7.9878 8.0062 8.0062 9.2561 9.2561 9.2717 9.2717 k = 0.0155 0.0369 0.7953 ( 3904 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3622 -8.3622 -8.3620 -8.3620 -4.9966 -4.9966 -4.9940 -4.9940 -1.2867 -1.2867 -1.2783 -1.2783 1.9432 1.9432 1.9518 1.9518 6.6043 6.6043 6.6257 6.6257 6.7883 6.7883 6.8050 6.8050 7.9670 7.9670 7.9793 7.9793 9.2576 9.2576 9.2680 9.2680 k = 0.0077 0.0184 0.7953 ( 3896 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3622 -8.3622 -8.3621 -8.3621 -4.9949 -4.9949 -4.9936 -4.9936 -1.2850 -1.2850 -1.2808 -1.2808 1.9455 1.9455 1.9498 1.9498 6.6509 6.6509 6.6716 6.6716 6.7441 6.7441 6.7624 6.7624 7.9552 7.9552 7.9614 7.9614 9.2597 9.2597 9.2649 9.2649 k = 0.0000 0.0000 0.7953 ( 3904 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3622 -8.3622 -8.3622 -8.3622 -4.9939 -4.9939 -4.9939 -4.9939 -1.2831 -1.2831 -1.2831 -1.2831 1.9476 1.9476 1.9476 1.9476 6.6951 6.6951 6.6951 6.6951 6.7204 6.7204 6.7204 6.7204 7.9533 7.9533 7.9533 7.9533 9.2622 9.2622 9.2622 9.2622 k = 0.0000 0.0000 0.7953 ( 3904 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3622 -8.3622 -8.3622 -8.3622 -4.9939 -4.9939 -4.9939 -4.9939 -1.2831 -1.2831 -1.2831 -1.2831 1.9476 1.9476 1.9476 1.9476 6.6951 6.6951 6.6951 6.6951 6.7204 6.7204 6.7204 6.7204 7.9533 7.9533 7.9533 7.9533 9.2622 9.2622 9.2622 9.2622 k = 0.0000 0.0000 0.7754 ( 3908 PWs) bands (ev): -20.3809 -20.3809 -20.2252 -20.2252 -8.4274 -8.4274 -8.2960 -8.2960 -5.0534 -5.0534 -4.9339 -4.9339 -1.3151 -1.3151 -1.2573 -1.2573 1.9319 1.9319 1.9620 1.9620 6.6395 6.6395 6.6940 6.6940 6.7372 6.7372 6.7651 6.7651 7.9046 7.9046 8.0026 8.0026 9.1694 9.1694 9.3707 9.3707 k = 0.0000 0.0000 0.7555 ( 3904 PWs) bands (ev): -20.4572 -20.4572 -20.1459 -20.1459 -8.4915 -8.4915 -8.2288 -8.2288 -5.1123 -5.1123 -4.8735 -4.8735 -1.3536 -1.3536 -1.2373 -1.2373 1.9144 1.9144 1.9753 1.9753 6.5836 6.5836 6.6776 6.6776 6.7583 6.7583 6.8306 6.8306 7.8586 7.8586 8.0502 8.0502 9.0937 9.0937 9.4937 9.4937 k = 0.0000 0.0000 0.7356 ( 3904 PWs) bands (ev): -20.5322 -20.5322 -20.0656 -20.0656 -8.5544 -8.5544 -8.1609 -8.1609 -5.1705 -5.1705 -4.8129 -4.8129 -1.3989 -1.3989 -1.2227 -1.2227 1.8949 1.8949 1.9879 1.9879 6.5309 6.5309 6.6634 6.6634 6.7787 6.7787 6.8997 6.8997 7.8177 7.8177 8.0943 8.0943 9.0366 9.0366 9.6299 9.6299 k = 0.0000 0.0000 0.7157 ( 3906 PWs) bands (ev): -20.6059 -20.6059 -19.9847 -19.9847 -8.6160 -8.6160 -8.0922 -8.0922 -5.2280 -5.2280 -4.7519 -4.7519 -1.4510 -1.4510 -1.2131 -1.2131 1.8732 1.8732 2.0000 2.0000 6.4818 6.4818 6.6522 6.6522 6.7962 6.7962 6.9719 6.9719 7.7845 7.7845 8.1332 8.1332 8.9991 8.9991 9.7783 9.7783 k = 0.0000 0.0000 0.6959 ( 3912 PWs) bands (ev): -20.6782 -20.6782 -19.9030 -19.9030 -8.6762 -8.6762 -8.0229 -8.0229 -5.2847 -5.2847 -4.6909 -4.6909 -1.5101 -1.5101 -1.2080 -1.2080 1.8492 1.8492 2.0120 2.0120 6.4362 6.4362 6.6442 6.6442 6.8087 6.8087 7.0469 7.0469 7.7616 7.7616 8.1661 8.1661 8.9819 8.9819 9.9380 9.9380 k = 0.0000 0.0000 0.6760 ( 3900 PWs) bands (ev): -20.7492 -20.7492 -19.8208 -19.8208 -8.7350 -8.7350 -7.9532 -7.9532 -5.3404 -5.3404 -4.6299 -4.6299 -1.5761 -1.5761 -1.2069 -1.2069 1.8227 1.8227 2.0241 2.0241 6.3945 6.3945 6.6393 6.6393 6.8139 6.8139 7.1247 7.1247 7.7515 7.7515 8.1934 8.1934 8.9840 8.9840 10.1082 10.1082 k = 0.0000 0.0000 0.6561 ( 3904 PWs) bands (ev): -20.8186 -20.8186 -19.7382 -19.7382 -8.7922 -8.7922 -7.8832 -7.8832 -5.3951 -5.3951 -4.5689 -4.5689 -1.6489 -1.6489 -1.2093 -1.2093 1.7937 1.7937 2.0365 2.0365 6.3565 6.3565 6.6378 6.6378 6.8101 6.8101 7.2049 7.2049 7.7561 7.7561 8.2165 8.2165 9.0035 9.0035 10.2879 10.2879 k = 0.0000 0.0000 0.6362 ( 3904 PWs) bands (ev): -20.8865 -20.8865 -19.6553 -19.6553 -8.8479 -8.8479 -7.8129 -7.8129 -5.4488 -5.4488 -4.5081 -4.5081 -1.7282 -1.7282 -1.2148 -1.2148 1.7622 1.7622 2.0494 2.0494 6.3225 6.3225 6.6396 6.6396 6.7964 6.7964 7.2874 7.2874 7.7763 7.7763 8.2380 8.2380 9.0376 9.0376 10.4763 10.4763 k = 0.0000 0.0000 0.6163 ( 3904 PWs) bands (ev): -20.9528 -20.9528 -19.5721 -19.5721 -8.9020 -8.9020 -7.7426 -7.7426 -5.5013 -5.5013 -4.4475 -4.4475 -1.8137 -1.8137 -1.2229 -1.2229 1.7281 1.7281 2.0628 2.0628 6.2926 6.2926 6.6447 6.6447 6.7732 6.7732 7.3722 7.3722 7.8118 7.8118 8.2602 8.2602 9.0829 9.0829 10.6725 10.6725 k = 0.0000 0.0000 0.5964 ( 3908 PWs) bands (ev): -21.0175 -21.0175 -19.4889 -19.4889 -8.9544 -8.9544 -7.6725 -7.6725 -5.5525 -5.5525 -4.3874 -4.3874 -1.9050 -1.9050 -1.2332 -1.2332 1.6917 1.6917 2.0768 2.0768 6.2666 6.2666 6.6533 6.6533 6.7415 6.7415 7.4589 7.4589 7.8614 7.8614 8.2856 8.2856 9.1367 9.1367 10.8754 10.8754 k = 0.0000 0.0000 0.5766 ( 3910 PWs) bands (ev): -21.0804 -21.0804 -19.4058 -19.4058 -9.0050 -9.0050 -7.6026 -7.6026 -5.6023 -5.6023 -4.3278 -4.3278 -2.0016 -2.0016 -1.2452 -1.2452 1.6530 1.6530 2.0913 2.0913 6.2448 6.2448 6.6655 6.6655 6.7030 6.7030 7.5474 7.5474 7.9235 7.9235 8.3156 8.3156 9.1964 9.1964 11.0839 11.0839 k = 0.0000 0.0000 0.5567 ( 3902 PWs) bands (ev): -21.1416 -21.1416 -19.3229 -19.3229 -9.0538 -9.0538 -7.5332 -7.5332 -5.6507 -5.6507 -4.2687 -4.2687 -2.1028 -2.1028 -1.2586 -1.2586 1.6122 1.6122 2.1062 2.1062 6.2272 6.2272 6.6588 6.6588 6.6819 6.6819 7.6375 7.6375 7.9961 7.9961 8.3514 8.3514 9.2601 9.2601 11.2964 11.2964 k = 0.0000 0.0000 0.5368 ( 3882 PWs) bands (ev): -21.2010 -21.2010 -19.2405 -19.2405 -9.1007 -9.1007 -7.4644 -7.4644 -5.6976 -5.6976 -4.2105 -4.2105 -2.2082 -2.2082 -1.2730 -1.2730 1.5694 1.5694 2.1213 2.1213 6.2137 6.2137 6.6114 6.6114 6.7019 6.7019 7.7289 7.7289 8.0778 8.0778 8.3934 8.3934 9.3263 9.3263 11.5109 11.5109 k = 0.0000 0.0000 0.5169 ( 3884 PWs) bands (ev): -21.2585 -21.2585 -19.1585 -19.1585 -9.1458 -9.1458 -7.3965 -7.3965 -5.7427 -5.7427 -4.1531 -4.1531 -2.3170 -2.3170 -1.2880 -1.2880 1.5249 1.5249 2.1367 2.1367 6.2045 6.2045 6.5612 6.5612 6.7263 6.7263 7.8216 7.8216 8.1670 8.1670 8.4418 8.4418 9.3938 9.3938 11.7012 11.7012 k = 0.0000 0.0000 0.4970 ( 3892 PWs) bands (ev): -21.3142 -21.3142 -19.0773 -19.0773 -9.1889 -9.1889 -7.3298 -7.3298 -5.7861 -5.7861 -4.0967 -4.0967 -2.4285 -2.4285 -1.3035 -1.3035 1.4788 1.4788 2.1520 2.1520 6.1996 6.1996 6.5095 6.5095 6.7554 6.7554 7.9152 7.9152 8.2626 8.2626 8.4965 8.4965 9.4615 9.4615 11.6267 11.6267 k = 0.0000 0.0000 0.4772 ( 3892 PWs) bands (ev): -21.3679 -21.3679 -18.9969 -18.9969 -9.2301 -9.2301 -7.2643 -7.2643 -5.8275 -5.8275 -4.0416 -4.0416 -2.5420 -2.5420 -1.3191 -1.3191 1.4313 1.4313 2.1671 2.1671 6.1989 6.1989 6.4571 6.4571 6.7893 6.7893 8.0094 8.0094 8.3635 8.3635 8.5571 8.5571 9.5288 9.5288 11.5052 11.5052 k = 0.0000 0.0000 0.4573 ( 3882 PWs) bands (ev): -21.4197 -21.4197 -18.9176 -18.9176 -9.2694 -9.2694 -7.2006 -7.2006 -5.8667 -5.8667 -3.9878 -3.9878 -2.6568 -2.6568 -1.3346 -1.3346 1.3828 1.3828 2.1818 2.1818 6.2025 6.2025 6.4044 6.4044 6.8284 6.8284 8.1040 8.1040 8.4689 8.4689 8.6230 8.6230 9.5951 9.5951 11.3771 11.3771 k = 0.0000 0.0000 0.4374 ( 3894 PWs) bands (ev): -21.4695 -21.4695 -18.8396 -18.8396 -9.3066 -9.3066 -7.1387 -7.1387 -5.9037 -5.9037 -3.9358 -3.9358 -2.7720 -2.7720 -1.3497 -1.3497 1.3333 1.3333 2.1960 2.1960 6.2103 6.2103 6.3521 6.3521 6.8728 6.8728 8.1987 8.1987 8.5780 8.5780 8.6938 8.6938 9.6596 9.6596 11.2466 11.2466 k = 0.0000 0.0000 0.4175 ( 3890 PWs) bands (ev): -21.5173 -21.5173 -18.7629 -18.7629 -9.3418 -9.3418 -7.0792 -7.0792 -5.9381 -5.9381 -3.8858 -3.8858 -2.8868 -2.8868 -1.3644 -1.3644 1.2832 1.2832 2.2096 2.2096 6.2223 6.2223 6.3006 6.3006 6.9226 6.9226 8.2930 8.2930 8.6897 8.6897 8.7689 8.7689 9.7221 9.7221 11.1146 11.1146 k = 0.0000 0.0000 0.3976 ( 3896 PWs) bands (ev): -21.5631 -21.5631 -18.6880 -18.6880 -9.3751 -9.3751 -7.0223 -7.0223 -5.9696 -5.9696 -3.8383 -3.8383 -3.0000 -3.0000 -1.3783 -1.3783 1.2326 1.2326 2.2224 2.2224 6.2373 6.2373 6.2513 6.2513 6.9780 6.9780 8.3867 8.3867 8.8023 8.8023 8.8489 8.8489 9.7821 9.7821 10.9817 10.9817 k = 0.0000 0.0000 0.3777 ( 3890 PWs) bands (ev): -21.6067 -21.6067 -18.6148 -18.6148 -9.4063 -9.4063 -6.9686 -6.9686 -5.9980 -5.9980 -3.7944 -3.7944 -3.1102 -3.1102 -1.3915 -1.3915 1.1819 1.1819 2.2344 2.2344 6.2001 6.2001 6.2595 6.2595 7.0390 7.0390 8.4793 8.4793 8.9076 8.9076 8.9402 8.9402 9.8392 9.8392 10.8482 10.8482 k = 0.0000 0.0000 0.3579 ( 3898 PWs) bands (ev): -21.6483 -21.6483 -18.5437 -18.5437 -9.4355 -9.4355 -6.9185 -6.9185 -6.0229 -6.0229 -3.7557 -3.7557 -3.2153 -3.2153 -1.4037 -1.4037 1.1312 1.1312 2.2454 2.2454 6.1525 6.1525 6.2836 6.2836 7.1056 7.1056 8.5702 8.5702 8.9961 8.9961 9.0510 9.0510 9.8933 9.8933 10.7145 10.7145 k = 0.0000 0.0000 0.3380 ( 3916 PWs) bands (ev): -21.6878 -21.6878 -18.4749 -18.4749 -9.4627 -9.4627 -6.8724 -6.8724 -6.0438 -6.0438 -3.7259 -3.7259 -3.3110 -3.3110 -1.4150 -1.4150 1.0808 1.0808 2.2555 2.2555 6.1065 6.1065 6.3118 6.3118 7.1778 7.1778 8.6591 8.6591 9.0780 9.0780 9.1694 9.1694 9.9440 9.9440 10.5811 10.5811 k = 0.0000 0.0000 0.3181 ( 3916 PWs) bands (ev): -21.7251 -21.7251 -18.4085 -18.4085 -9.4879 -9.4879 -6.8310 -6.8310 -6.0605 -6.0605 -3.7130 -3.7130 -3.3891 -3.3891 -1.4251 -1.4251 1.0310 1.0310 2.2647 2.2647 6.0624 6.0624 6.3436 6.3436 7.2554 7.2554 8.7453 8.7453 9.1571 9.1571 9.2897 9.2897 9.9913 9.9913 10.4484 10.4484 k = 0.0000 0.0000 0.2982 ( 3912 PWs) bands (ev): -21.7602 -21.7602 -18.3447 -18.3447 -9.5112 -9.5112 -6.7948 -6.7948 -6.0724 -6.0724 -3.7296 -3.7296 -3.4363 -3.4363 -1.4342 -1.4342 0.9820 0.9820 2.2728 2.2728 6.0202 6.0202 6.3790 6.3790 7.3382 7.3382 8.8284 8.8284 9.2328 9.2328 9.4106 9.4106 10.0349 10.0349 10.3169 10.3169 k = 0.0000 0.0000 0.2783 ( 3908 PWs) bands (ev): -21.7932 -21.7932 -18.2839 -18.2839 -9.5326 -9.5326 -6.7640 -6.7640 -6.0793 -6.0793 -3.7805 -3.7805 -3.4476 -3.4476 -1.4421 -1.4421 0.9341 0.9341 2.2800 2.2800 5.9802 5.9802 6.4176 6.4176 7.4260 7.4260 8.9076 8.9076 9.3040 9.3040 9.5312 9.5312 10.0749 10.0749 10.1871 10.1871 k = 0.0000 0.0000 0.2585 ( 3898 PWs) bands (ev): -21.8239 -21.8239 -18.2261 -18.2261 -9.5521 -9.5521 -6.7390 -6.7390 -6.0812 -6.0812 -3.8526 -3.8526 -3.4356 -3.4356 -1.4489 -1.4489 0.8877 0.8877 2.2864 2.2864 5.9425 5.9425 6.4591 6.4591 7.5185 7.5185 8.9826 8.9826 9.3691 9.3691 9.6507 9.6507 10.0595 10.0595 10.1111 10.1111 k = 0.0000 0.0000 0.2386 ( 3896 PWs) bands (ev): -21.8525 -21.8525 -18.1716 -18.1716 -9.5698 -9.5698 -6.7197 -6.7197 -6.0782 -6.0782 -3.9325 -3.9325 -3.4134 -3.4134 -1.4546 -1.4546 0.8429 0.8429 2.2918 2.2918 5.9072 5.9072 6.5032 6.5032 7.6154 7.6154 9.0525 9.0525 9.4263 9.4263 9.7681 9.7681 9.9352 9.9352 10.1438 10.1438 k = 0.0000 0.0000 0.2187 ( 3898 PWs) bands (ev): -21.8788 -21.8788 -18.1207 -18.1207 -9.5858 -9.5858 -6.7057 -6.7057 -6.0707 -6.0707 -4.0132 -4.0132 -3.3876 -3.3876 -1.4593 -1.4593 0.8001 0.8001 2.2965 2.2965 5.8743 5.8743 6.5493 6.5493 7.7162 7.7162 9.1171 9.1171 9.4740 9.4740 9.8110 9.8110 9.8859 9.8859 10.1731 10.1731 k = 0.0000 0.0000 0.1988 ( 3902 PWs) bands (ev): -21.9029 -21.9029 -18.0734 -18.0734 -9.6000 -9.6000 -6.6963 -6.6963 -6.0595 -6.0595 -4.0914 -4.0914 -3.3613 -3.3613 -1.4629 -1.4629 0.7596 0.7596 2.3005 2.3005 5.8440 5.8440 6.5969 6.5969 7.8205 7.8205 9.1757 9.1757 9.5106 9.5106 9.6955 9.6955 9.9948 9.9948 10.2002 10.2002 k = 0.0000 0.0000 0.1789 ( 3900 PWs) bands (ev): -21.9247 -21.9247 -18.0300 -18.0300 -9.6127 -9.6127 -6.6909 -6.6909 -6.0455 -6.0455 -4.1653 -4.1653 -3.3357 -3.3357 -1.4657 -1.4657 0.7217 0.7217 2.3038 2.3038 5.8163 5.8163 6.6454 6.6454 7.9277 7.9277 9.2278 9.2278 9.5347 9.5347 9.5839 9.5839 10.0965 10.0965 10.2284 10.2284 k = 0.0000 0.0000 0.1591 ( 3886 PWs) bands (ev): -21.9442 -21.9442 -17.9906 -17.9906 -9.6237 -9.6237 -6.6886 -6.6886 -6.0297 -6.0297 -4.2338 -4.2338 -3.3119 -3.3119 -1.4677 -1.4677 0.6867 0.6867 2.3066 2.3066 5.7914 5.7914 6.6939 6.6939 8.0371 8.0371 9.2730 9.2730 9.4781 9.4781 9.5457 9.5457 10.1762 10.1762 10.2707 10.2707 k = 0.0000 0.0000 0.1392 ( 3876 PWs) bands (ev): -21.9615 -21.9615 -17.9555 -17.9555 -9.6333 -9.6333 -6.6884 -6.6884 -6.0132 -6.0132 -4.2960 -4.2960 -3.2901 -3.2901 -1.4690 -1.4690 0.6549 0.6549 2.3088 2.3088 5.7692 5.7692 6.7415 6.7415 8.1479 8.1479 9.3102 9.3102 9.3797 9.3797 9.5434 9.5434 10.2170 10.2170 10.3432 10.3432 k = 0.0000 0.0000 0.1193 ( 3880 PWs) bands (ev): -21.9765 -21.9765 -17.9247 -17.9247 -9.6414 -9.6414 -6.6898 -6.6898 -5.9968 -5.9968 -4.3514 -4.3514 -3.2708 -3.2708 -1.4698 -1.4698 0.6267 0.6267 2.3106 2.3106 5.7499 5.7499 6.7870 6.7870 8.2590 8.2590 9.2897 9.2897 9.3379 9.3379 9.5300 9.5300 10.2365 10.2365 10.4277 10.4277 k = 0.0000 0.0000 0.0994 ( 3884 PWs) bands (ev): -21.9891 -21.9891 -17.8984 -17.8984 -9.6481 -9.6481 -6.6919 -6.6919 -5.9814 -5.9814 -4.3993 -4.3993 -3.2541 -3.2541 -1.4702 -1.4702 0.6022 0.6022 2.3121 2.3121 5.7335 5.7335 6.8291 6.8291 8.3689 8.3689 9.2096 9.2096 9.3519 9.3519 9.5105 9.5105 10.2487 10.2487 10.5095 10.5095 k = 0.0000 0.0000 0.0795 ( 3884 PWs) bands (ev): -21.9995 -21.9995 -17.8767 -17.8767 -9.6536 -9.6536 -6.6943 -6.6943 -5.9677 -5.9677 -4.4393 -4.4393 -3.2403 -3.2403 -1.4703 -1.4703 0.5819 0.5819 2.3131 2.3131 5.7200 5.7200 6.8665 6.8665 8.4756 8.4756 9.1409 9.1409 9.3453 9.3453 9.4944 9.4944 10.2573 10.2573 10.5836 10.5836 k = 0.0000 0.0000 0.0596 ( 3896 PWs) bands (ev): -22.0076 -22.0076 -17.8598 -17.8598 -9.6577 -9.6577 -6.6966 -6.6966 -5.9564 -5.9564 -4.4709 -4.4709 -3.2294 -3.2294 -1.4702 -1.4702 0.5657 0.5657 2.3139 2.3139 5.7094 5.7094 6.8976 6.8976 8.5757 8.5757 9.0851 9.0851 9.3155 9.3155 9.4885 9.4885 10.2634 10.2634 10.6472 10.6472 k = 0.0000 0.0000 0.0398 ( 3896 PWs) bands (ev): -22.0134 -22.0134 -17.8476 -17.8476 -9.6607 -9.6607 -6.6984 -6.6984 -5.9479 -5.9479 -4.4937 -4.4937 -3.2215 -3.2215 -1.4701 -1.4701 0.5541 0.5541 2.3145 2.3145 5.7019 5.7019 6.9211 6.9211 8.6635 8.6635 9.0433 9.0433 9.2724 9.2724 9.4894 9.4894 10.2676 10.2676 10.6973 10.6973 k = 0.0000 0.0000 0.0199 ( 3893 PWs) bands (ev): -22.0169 -22.0169 -17.8403 -17.8403 -9.6624 -9.6624 -6.6996 -6.6996 -5.9427 -5.9427 -4.5076 -4.5076 -3.2168 -3.2168 -1.4700 -1.4700 0.5471 0.5471 2.3148 2.3148 5.6973 5.6973 6.9357 6.9357 8.7282 8.7282 9.0171 9.0171 9.2331 9.2331 9.4918 9.4918 10.2701 10.2701 10.7301 10.7301 k = 0.0000 0.0000 0.0000 ( 3891 PWs) bands (ev): -22.0180 -22.0180 -17.8378 -17.8378 -9.6630 -9.6630 -6.7000 -6.7000 -5.9409 -5.9409 -4.5122 -4.5122 -3.2152 -3.2152 -1.4700 -1.4700 0.5447 0.5447 2.3149 2.3149 5.6958 5.6958 6.9407 6.9407 8.7531 8.7531 9.0079 9.0079 9.2166 9.2166 9.4928 9.4928 10.2709 10.2709 10.7417 10.7417 k = 0.0000 0.0000 0.0000 ( 3891 PWs) bands (ev): -22.0180 -22.0180 -17.8378 -17.8378 -9.6630 -9.6630 -6.7000 -6.7000 -5.9409 -5.9409 -4.5122 -4.5122 -3.2152 -3.2152 -1.4700 -1.4700 0.5447 0.5447 2.3149 2.3149 5.6958 5.6958 6.9407 6.9407 8.7531 8.7531 9.0079 9.0079 9.2166 9.2166 9.4928 9.4928 10.2709 10.2709 10.7417 10.7417 k =-0.0185 0.0078-0.0000 ( 3891 PWs) bands (ev): -22.0180 -22.0180 -17.8378 -17.8378 -9.6630 -9.6630 -6.7001 -6.7001 -5.9408 -5.9408 -4.5125 -4.5125 -3.2151 -3.2151 -1.4701 -1.4701 0.5459 0.5459 2.3134 2.3134 5.6980 5.6980 6.9422 6.9422 8.7547 8.7547 9.0078 9.0078 9.2176 9.2176 9.4904 9.4904 10.2637 10.2637 10.7394 10.7394 k =-0.0370 0.0156-0.0000 ( 3895 PWs) bands (ev): -22.0180 -22.0180 -17.8379 -17.8379 -9.6630 -9.6630 -6.7002 -6.7002 -5.9402 -5.9402 -4.5134 -4.5134 -3.2149 -3.2149 -1.4704 -1.4704 0.5495 0.5495 2.3090 2.3090 5.7044 5.7044 6.9465 6.9465 8.7594 8.7594 9.0074 9.0074 9.2205 9.2205 9.4834 9.4834 10.2426 10.2426 10.7326 10.7326 k =-0.0556 0.0233-0.0000 ( 3891 PWs) bands (ev): -22.0180 -22.0180 -17.8379 -17.8379 -9.6630 -9.6630 -6.7004 -6.7004 -5.9394 -5.9394 -4.5150 -4.5150 -3.2144 -3.2144 -1.4710 -1.4710 0.5555 0.5555 2.3017 2.3017 5.7151 5.7151 6.9537 6.9537 8.7672 8.7672 9.0068 9.0068 9.2248 9.2248 9.4719 9.4719 10.2087 10.2087 10.7214 10.7214 k =-0.0741 0.0311-0.0000 ( 3891 PWs) bands (ev): -22.0180 -22.0180 -17.8380 -17.8380 -9.6629 -9.6629 -6.7007 -6.7007 -5.9382 -5.9382 -4.5171 -4.5171 -3.2138 -3.2138 -1.4717 -1.4717 0.5639 0.5639 2.2914 2.2914 5.7301 5.7301 6.9638 6.9638 8.7782 8.7782 9.0060 9.0060 9.2293 9.2293 9.4563 9.4563 10.1636 10.1636 10.7061 10.7061 k =-0.0926 0.0389-0.0000 ( 3895 PWs) bands (ev): -22.0179 -22.0179 -17.8381 -17.8381 -9.6629 -9.6629 -6.7011 -6.7011 -5.9366 -5.9366 -4.5198 -4.5198 -3.2131 -3.2131 -1.4727 -1.4727 0.5746 0.5746 2.2783 2.2783 5.7495 5.7495 6.9768 6.9768 8.7921 8.7921 9.0050 9.0050 9.2323 9.2323 9.4375 9.4375 10.1094 10.1094 10.6869 10.6869 k =-0.1111 0.0467-0.0000 ( 3891 PWs) bands (ev): -22.0179 -22.0179 -17.8382 -17.8382 -9.6628 -9.6628 -6.7015 -6.7015 -5.9348 -5.9348 -4.5231 -4.5231 -3.2122 -3.2122 -1.4738 -1.4738 0.5877 0.5877 2.2625 2.2625 5.7734 5.7734 6.9926 6.9926 8.8091 8.8091 9.0036 9.0036 9.2314 9.2314 9.4165 9.4165 10.0482 10.0482 10.6640 10.6640 k =-0.1296 0.0544-0.0000 ( 3891 PWs) bands (ev): -22.0179 -22.0179 -17.8383 -17.8383 -9.6627 -9.6627 -6.7020 -6.7020 -5.9327 -5.9327 -4.5268 -4.5268 -3.2112 -3.2112 -1.4752 -1.4752 0.6029 0.6029 2.2439 2.2439 5.8017 5.8017 7.0113 7.0113 8.8290 8.8290 9.0021 9.0021 9.2232 9.2232 9.3945 9.3945 9.9828 9.9828 10.6378 10.6378 k =-0.1481 0.0622-0.0000 ( 3891 PWs) bands (ev): -22.0178 -22.0178 -17.8384 -17.8384 -9.6626 -9.6626 -6.7025 -6.7025 -5.9303 -5.9303 -4.5309 -4.5309 -3.2100 -3.2100 -1.4766 -1.4766 0.6204 0.6204 2.2226 2.2226 5.8346 5.8346 7.0329 7.0329 8.8517 8.8517 9.0003 9.0003 9.2046 9.2046 9.3718 9.3718 9.9166 9.9166 10.6084 10.6084 k =-0.1667 0.0700-0.0000 ( 3891 PWs) bands (ev): -22.0178 -22.0178 -17.8386 -17.8386 -9.6625 -9.6625 -6.7031 -6.7031 -5.9277 -5.9277 -4.5355 -4.5355 -3.2088 -3.2088 -1.4782 -1.4782 0.6399 0.6399 2.1989 2.1989 5.8721 5.8721 7.0574 7.0574 8.8771 8.8771 8.9983 8.9983 9.1745 9.1745 9.3454 9.3454 9.8535 9.8535 10.5762 10.5762 k =-0.1852 0.0778 0.0000 ( 3891 PWs) bands (ev): -22.0177 -22.0177 -17.8387 -17.8387 -9.6624 -9.6624 -6.7038 -6.7038 -5.9250 -5.9250 -4.5403 -4.5403 -3.2074 -3.2074 -1.4799 -1.4799 0.6615 0.6615 2.1727 2.1727 5.9142 5.9142 7.0846 7.0846 8.9050 8.9050 8.9959 8.9959 9.1338 9.1338 9.3101 9.3101 9.7981 9.7981 10.5413 10.5413 k =-0.2037 0.0856-0.0000 ( 3891 PWs) bands (ev): -22.0177 -22.0177 -17.8389 -17.8389 -9.6623 -9.6623 -6.7044 -6.7044 -5.9220 -5.9220 -4.5455 -4.5455 -3.2060 -3.2060 -1.4816 -1.4816 0.6850 0.6850 2.1443 2.1443 5.9609 5.9609 7.1148 7.1148 8.9349 8.9349 8.9931 8.9931 9.0848 9.0848 9.2602 9.2602 9.7540 9.7540 10.5039 10.5039 k =-0.2222 0.0933-0.0000 ( 3887 PWs) bands (ev): -22.0176 -22.0176 -17.8391 -17.8391 -9.6622 -9.6622 -6.7051 -6.7051 -5.9190 -5.9190 -4.5508 -4.5508 -3.2046 -3.2046 -1.4834 -1.4834 0.7104 0.7104 2.1139 2.1139 6.0123 6.0123 7.1477 7.1477 8.9627 8.9627 8.9893 8.9893 9.0332 9.0332 9.1937 9.1937 9.7217 9.7217 10.4643 10.4643 k =-0.2407 0.1011-0.0000 ( 3883 PWs) bands (ev): -22.0176 -22.0176 -17.8392 -17.8392 -9.6621 -9.6621 -6.7058 -6.7058 -5.9159 -5.9159 -4.5562 -4.5562 -3.2032 -3.2032 -1.4853 -1.4853 0.7374 0.7374 2.0816 2.0816 6.0683 6.0683 7.1835 7.1835 8.9431 8.9431 8.9928 8.9928 9.0165 9.0165 9.1130 9.1130 9.6983 9.6983 10.4228 10.4228 k =-0.2593 0.1089-0.0000 ( 3882 PWs) bands (ev): -22.0175 -22.0175 -17.8394 -17.8394 -9.6620 -9.6620 -6.7065 -6.7065 -5.9127 -5.9127 -4.5617 -4.5617 -3.2017 -3.2017 -1.4871 -1.4871 0.7659 0.7659 2.0476 2.0476 6.1290 6.1290 7.2220 7.2220 8.8761 8.8761 8.9886 8.9886 9.0226 9.0226 9.0496 9.0496 9.6798 9.6798 10.3797 10.3797 k =-0.2778 0.1167-0.0000 ( 3880 PWs) bands (ev): -22.0175 -22.0175 -17.8396 -17.8396 -9.6619 -9.6619 -6.7072 -6.7072 -5.9095 -5.9095 -4.5671 -4.5671 -3.2003 -3.2003 -1.4889 -1.4889 0.7958 0.7958 2.0123 2.0123 6.1942 6.1942 7.2632 7.2632 8.7951 8.7951 8.9263 8.9263 8.9879 8.9879 9.0882 9.0882 9.6629 9.6629 10.3351 10.3351 k =-0.2963 0.1245-0.0000 ( 3880 PWs) bands (ev): -22.0174 -22.0174 -17.8397 -17.8397 -9.6618 -9.6618 -6.7079 -6.7079 -5.9064 -5.9064 -4.5724 -4.5724 -3.1989 -3.1989 -1.4907 -1.4907 0.8268 0.8268 1.9758 1.9758 6.2639 6.2639 7.3072 7.3072 8.7022 8.7022 8.8336 8.8336 8.9849 8.9849 9.1298 9.1298 9.6456 9.6456 10.2894 10.2894 k =-0.3148 0.1322-0.0000 ( 3874 PWs) bands (ev): -22.0174 -22.0174 -17.8399 -17.8399 -9.6617 -9.6617 -6.7086 -6.7086 -5.9034 -5.9034 -4.5776 -4.5776 -3.1975 -3.1975 -1.4924 -1.4924 0.8587 0.8587 1.9386 1.9386 6.3379 6.3379 7.3539 7.3539 8.5981 8.5981 8.7448 8.7448 8.9824 8.9824 9.1735 9.1735 9.6272 9.6272 10.2426 10.2426 k =-0.3333 0.1400 0.0000 ( 3874 PWs) bands (ev): -22.0173 -22.0173 -17.8401 -17.8401 -9.6616 -9.6616 -6.7092 -6.7092 -5.9005 -5.9005 -4.5825 -4.5825 -3.1962 -3.1962 -1.4940 -1.4940 0.8911 0.8911 1.9010 1.9010 6.4161 6.4161 7.4032 7.4032 8.4853 8.4853 8.6601 8.6601 8.9802 8.9802 9.2188 9.2188 9.6078 9.6078 10.1949 10.1949 k =-0.3519 0.1478-0.0000 ( 3872 PWs) bands (ev): -22.0173 -22.0173 -17.8402 -17.8402 -9.6615 -9.6615 -6.7098 -6.7098 -5.8978 -5.8978 -4.5872 -4.5872 -3.1951 -3.1951 -1.4955 -1.4955 0.9238 0.9238 1.8636 1.8636 6.4981 6.4981 7.4550 7.4550 8.3674 8.3674 8.5779 8.5779 8.9781 8.9781 9.2654 9.2654 9.5881 9.5881 10.1465 10.1465 k =-0.3704 0.1556-0.0000 ( 3874 PWs) bands (ev): -22.0172 -22.0172 -17.8403 -17.8403 -9.6614 -9.6614 -6.7103 -6.7103 -5.8953 -5.8953 -4.5914 -4.5914 -3.1940 -3.1940 -1.4969 -1.4969 0.9562 0.9562 1.8267 1.8267 6.5838 6.5838 7.5094 7.5094 8.2470 8.2470 8.4973 8.4973 8.9763 8.9763 9.3131 9.3131 9.5688 9.5688 10.0975 10.0975 k =-0.3889 0.1633 0.0000 ( 3880 PWs) bands (ev): -22.0172 -22.0172 -17.8404 -17.8404 -9.6613 -9.6613 -6.7108 -6.7108 -5.8930 -5.8930 -4.5952 -4.5952 -3.1930 -3.1930 -1.4981 -1.4981 0.9877 0.9877 1.7912 1.7912 6.6725 6.6725 7.5661 7.5661 8.1263 8.1263 8.4180 8.4180 8.9747 8.9747 9.3613 9.3613 9.5506 9.5506 10.0484 10.0484 k =-0.4074 0.1711-0.0000 ( 3884 PWs) bands (ev): -22.0171 -22.0171 -17.8406 -17.8406 -9.6612 -9.6612 -6.7112 -6.7112 -5.8910 -5.8910 -4.5985 -4.5985 -3.1922 -3.1922 -1.4992 -1.4992 1.0175 1.0175 1.7579 1.7579 6.7635 6.7635 7.6251 7.6251 8.0070 8.0070 8.3398 8.3398 8.9733 8.9733 9.4096 9.4096 9.5342 9.5342 9.9994 9.9994 k =-0.4259 0.1789-0.0000 ( 3880 PWs) bands (ev): -22.0171 -22.0171 -17.8406 -17.8406 -9.6612 -9.6612 -6.7115 -6.7115 -5.8894 -5.8894 -4.6013 -4.6013 -3.1915 -3.1915 -1.5000 -1.5000 1.0447 1.0447 1.7277 1.7277 6.8555 6.8555 7.6860 7.6860 7.8913 7.8913 8.2630 8.2630 8.9721 8.9721 9.4572 9.4572 9.5202 9.5202 9.9514 9.9514 k =-0.4444 0.1867-0.0000 ( 3872 PWs) bands (ev): -22.0171 -22.0171 -17.8407 -17.8407 -9.6611 -9.6611 -6.7118 -6.7118 -5.8881 -5.8881 -4.6035 -4.6035 -3.1909 -3.1909 -1.5007 -1.5007 1.0681 1.0681 1.7020 1.7020 6.9459 6.9459 7.7468 7.7468 7.7838 7.7838 8.1879 8.1879 8.9711 8.9711 9.5011 9.5011 9.5105 9.5105 9.9056 9.9056 k =-0.4630 0.1945-0.0000 ( 3876 PWs) bands (ev): -22.0171 -22.0171 -17.8408 -17.8408 -9.6611 -9.6611 -6.7120 -6.7120 -5.8871 -5.8871 -4.6051 -4.6051 -3.1905 -3.1905 -1.5013 -1.5013 1.0863 1.0863 1.6821 1.6821 7.0297 7.0297 7.6833 7.6833 7.8133 7.8133 8.1154 8.1154 8.9705 8.9705 9.5000 9.5000 9.5442 9.5442 9.8646 9.8646 k =-0.4815 0.2022-0.0000 ( 3888 PWs) bands (ev): -22.0171 -22.0171 -17.8408 -17.8408 -9.6611 -9.6611 -6.7121 -6.7121 -5.8866 -5.8866 -4.6060 -4.6060 -3.1903 -3.1903 -1.5016 -1.5016 1.0979 1.0979 1.6695 1.6695 7.0953 7.0953 7.6096 7.6096 7.8739 7.8739 8.0492 8.0492 8.9701 8.9701 9.4950 9.4950 9.5749 9.5749 9.8337 9.8337 k =-0.5000 0.2100-0.0000 ( 3894 PWs) bands (ev): -22.0171 -22.0171 -17.8408 -17.8408 -9.6611 -9.6611 -6.7121 -6.7121 -5.8864 -5.8864 -4.6064 -4.6064 -3.1902 -3.1902 -1.5017 -1.5017 1.1019 1.1019 1.6651 1.6651 7.1220 7.1220 7.5801 7.5801 7.9095 7.9095 8.0117 8.0117 8.9699 8.9699 9.4934 9.4934 9.5870 9.5870 9.8216 9.8216 k =-0.5000 0.2100-0.0000 ( 3894 PWs) bands (ev): -22.0171 -22.0171 -17.8408 -17.8408 -9.6611 -9.6611 -6.7121 -6.7121 -5.8864 -5.8864 -4.6064 -4.6064 -3.1902 -3.1902 -1.5017 -1.5017 1.1019 1.1019 1.6651 1.6651 7.1220 7.1220 7.5801 7.5801 7.9095 7.9095 8.0117 8.0117 8.9699 8.9699 9.4934 9.4934 9.5870 9.5870 9.8216 9.8216 k =-0.4924 0.2282-0.0000 ( 3886 PWs) bands (ev): -22.0171 -22.0171 -17.8408 -17.8408 -9.6611 -9.6611 -6.7126 -6.7126 -5.8864 -5.8864 -4.6063 -4.6063 -3.1905 -3.1905 -1.5016 -1.5016 1.1039 1.1039 1.6652 1.6652 7.1221 7.1221 7.5663 7.5663 7.9097 7.9097 8.0206 8.0206 8.9547 8.9547 9.5003 9.5003 9.6040 9.6040 9.8210 9.8210 k =-0.4847 0.2463-0.0000 ( 3878 PWs) bands (ev): -22.0170 -22.0170 -17.8408 -17.8408 -9.6610 -9.6610 -6.7138 -6.7138 -5.8864 -5.8864 -4.6062 -4.6062 -3.1915 -3.1915 -1.5015 -1.5015 1.1101 1.1101 1.6653 1.6653 7.1225 7.1225 7.5280 7.5280 7.9106 7.9106 8.0441 8.0441 8.9133 8.9133 9.5208 9.5208 9.6509 9.6509 9.8194 9.8194 k =-0.4771 0.2645-0.0000 ( 3878 PWs) bands (ev): -22.0170 -22.0170 -17.8407 -17.8407 -9.6610 -9.6610 -6.7159 -6.7159 -5.8865 -5.8865 -4.6059 -4.6059 -3.1931 -3.1931 -1.5014 -1.5014 1.1202 1.1202 1.6656 1.6656 7.1232 7.1232 7.4718 7.4718 7.9124 7.9124 8.0760 8.0760 8.8544 8.8544 9.5538 9.5538 9.7190 9.7190 9.8167 9.8167 k =-0.4695 0.2826-0.0000 ( 3878 PWs) bands (ev): -22.0169 -22.0169 -17.8406 -17.8406 -9.6609 -9.6609 -6.7187 -6.7187 -5.8865 -5.8865 -4.6056 -4.6056 -3.1954 -3.1954 -1.5012 -1.5012 1.1343 1.1343 1.6659 1.6659 7.1242 7.1242 7.4036 7.4036 7.9150 7.9150 8.1115 8.1115 8.7854 8.7854 9.5976 9.5976 9.8008 9.8008 9.8132 9.8132 k =-0.4619 0.3008-0.0000 ( 3878 PWs) bands (ev): -22.0168 -22.0168 -17.8405 -17.8405 -9.6608 -9.6608 -6.7224 -6.7224 -5.8866 -5.8866 -4.6052 -4.6052 -3.1982 -3.1982 -1.5009 -1.5009 1.1522 1.1522 1.6664 1.6664 7.1257 7.1257 7.3278 7.3278 7.9184 7.9184 8.1477 8.1477 8.7112 8.7112 9.6496 9.6496 9.8096 9.8096 9.8915 9.8915 k =-0.4542 0.3189-0.0000 ( 3886 PWs) bands (ev): -22.0167 -22.0167 -17.8404 -17.8404 -9.6607 -9.6607 -6.7268 -6.7268 -5.8868 -5.8868 -4.6046 -4.6046 -3.2017 -3.2017 -1.5006 -1.5006 1.1738 1.1738 1.6670 1.6670 7.1275 7.1275 7.2471 7.2471 7.9224 7.9224 8.1833 8.1833 8.6345 8.6345 9.7054 9.7054 9.8080 9.8080 9.9880 9.9880 k =-0.4466 0.3371-0.0000 ( 3886 PWs) bands (ev): -22.0166 -22.0166 -17.8403 -17.8403 -9.6606 -9.6606 -6.7318 -6.7318 -5.8869 -5.8869 -4.6040 -4.6040 -3.2057 -3.2057 -1.5001 -1.5001 1.1988 1.1988 1.6677 1.6677 7.1279 7.1279 7.1654 7.1654 7.9268 7.9268 8.2179 8.2179 8.5573 8.5573 9.7519 9.7519 9.8188 9.8188 10.0887 10.0887 k =-0.4390 0.3553-0.0000 ( 3886 PWs) bands (ev): -22.0165 -22.0165 -17.8401 -17.8401 -9.6604 -9.6604 -6.7375 -6.7375 -5.8871 -5.8871 -4.6032 -4.6032 -3.2102 -3.2102 -1.4997 -1.4997 1.2270 1.2270 1.6686 1.6686 7.0739 7.0739 7.1375 7.1375 7.9315 7.9315 8.2513 8.2513 8.4805 8.4805 9.7660 9.7660 9.8625 9.8625 10.1922 10.1922 k =-0.4314 0.3734-0.0000 ( 3884 PWs) bands (ev): -22.0163 -22.0163 -17.8400 -17.8400 -9.6602 -9.6602 -6.7438 -6.7438 -5.8873 -5.8873 -4.6023 -4.6023 -3.2152 -3.2152 -1.4991 -1.4991 1.2582 1.2582 1.6696 1.6696 6.9886 6.9886 7.1413 7.1413 7.9364 7.9364 8.2835 8.2835 8.4050 8.4050 9.7626 9.7626 9.9207 9.9207 10.2979 10.2979 k =-0.4237 0.3916-0.0000 ( 3892 PWs) bands (ev): -22.0161 -22.0161 -17.8398 -17.8398 -9.6600 -9.6600 -6.7507 -6.7507 -5.8875 -5.8875 -4.6012 -4.6012 -3.2206 -3.2206 -1.4985 -1.4985 1.2920 1.2920 1.6709 1.6709 6.9027 6.9027 7.1473 7.1473 7.9414 7.9414 8.3129 8.3129 8.3327 8.3327 9.7549 9.7549 9.9770 9.9770 10.4051 10.4051 k =-0.4161 0.4097-0.0000 ( 3890 PWs) bands (ev): -22.0160 -22.0160 -17.8396 -17.8396 -9.6599 -9.6599 -6.7579 -6.7579 -5.8878 -5.8878 -4.6000 -4.6000 -3.2264 -3.2264 -1.4978 -1.4978 1.3281 1.3281 1.6723 1.6723 6.8178 6.8178 7.1548 7.1548 7.9462 7.9462 8.2580 8.2580 8.3455 8.3455 9.7456 9.7456 10.0251 10.0251 10.5133 10.5133 k =-0.4085 0.4279-0.0000 ( 3888 PWs) bands (ev): -22.0158 -22.0158 -17.8394 -17.8394 -9.6596 -9.6596 -6.7656 -6.7656 -5.8881 -5.8881 -4.5987 -4.5987 -3.2325 -3.2325 -1.4970 -1.4970 1.3661 1.3661 1.6740 1.6740 6.7346 6.7346 7.1640 7.1640 7.9507 7.9507 8.1884 8.1884 8.3741 8.3741 9.7354 9.7354 10.0613 10.0613 10.6221 10.6221 k =-0.4009 0.4460-0.0000 ( 3896 PWs) bands (ev): -22.0156 -22.0156 -17.8391 -17.8391 -9.6594 -9.6594 -6.7735 -6.7735 -5.8884 -5.8884 -4.5972 -4.5972 -3.2389 -3.2389 -1.4962 -1.4962 1.4056 1.4056 1.6760 1.6760 6.6538 6.6538 7.1749 7.1749 7.9549 7.9549 8.1210 8.1210 8.4013 8.4013 9.7248 9.7248 10.0833 10.0833 10.7312 10.7312 k =-0.3932 0.4642-0.0000 ( 3902 PWs) bands (ev): -22.0154 -22.0154 -17.8389 -17.8389 -9.6592 -9.6592 -6.7817 -6.7817 -5.8888 -5.8888 -4.5955 -4.5955 -3.2456 -3.2456 -1.4952 -1.4952 1.4462 1.4462 1.6784 1.6784 6.5760 6.5760 7.1877 7.1877 7.9585 7.9585 8.0562 8.0562 8.4266 8.4266 9.7140 9.7140 10.0908 10.0908 10.8403 10.8403 k =-0.3856 0.4823-0.0000 ( 3898 PWs) bands (ev): -22.0152 -22.0152 -17.8387 -17.8387 -9.6590 -9.6590 -6.7901 -6.7901 -5.8892 -5.8892 -4.5938 -4.5938 -3.2524 -3.2524 -1.4943 -1.4943 1.4872 1.4872 1.6813 1.6813 6.5016 6.5016 7.2024 7.2024 7.9614 7.9614 7.9943 7.9943 8.4493 8.4493 9.7033 9.7033 10.0853 10.0853 10.9490 10.9490 k =-0.3780 0.5005-0.0000 ( 3894 PWs) bands (ev): -22.0150 -22.0150 -17.8384 -17.8384 -9.6588 -9.6588 -6.7985 -6.7985 -5.8897 -5.8897 -4.5918 -4.5918 -3.2593 -3.2593 -1.4932 -1.4932 1.5280 1.5280 1.6849 1.6849 6.4313 6.4313 7.2193 7.2193 7.9342 7.9342 7.9645 7.9645 8.4686 8.4686 9.6929 9.6929 10.0700 10.0700 11.0570 11.0570 k =-0.3704 0.5186-0.0000 ( 3898 PWs) bands (ev): -22.0148 -22.0148 -17.8382 -17.8382 -9.6585 -9.6585 -6.8070 -6.8070 -5.8901 -5.8901 -4.5898 -4.5898 -3.2662 -3.2662 -1.4922 -1.4922 1.5678 1.5678 1.6894 1.6894 6.3655 6.3655 7.2382 7.2382 7.8780 7.8780 7.9659 7.9659 8.4837 8.4837 9.6829 9.6829 10.0483 10.0483 11.1641 11.1641 k =-0.3627 0.5368-0.0000 ( 3894 PWs) bands (ev): -22.0146 -22.0146 -17.8379 -17.8379 -9.6583 -9.6583 -6.8153 -6.8153 -5.8907 -5.8907 -4.5876 -4.5876 -3.2732 -3.2732 -1.4910 -1.4910 1.6053 1.6053 1.6958 1.6958 6.3047 6.3047 7.2594 7.2594 7.8246 7.8246 7.9666 7.9666 8.4934 8.4934 9.6736 9.6736 10.0240 10.0240 11.2696 11.2696 k =-0.3551 0.5550-0.0000 ( 3896 PWs) bands (ev): -22.0144 -22.0144 -17.8377 -17.8377 -9.6581 -9.6581 -6.8236 -6.8236 -5.8913 -5.8913 -4.5853 -4.5853 -3.2800 -3.2800 -1.4899 -1.4899 1.6383 1.6383 1.7057 1.7057 6.2494 6.2494 7.2829 7.2829 7.7742 7.7742 7.9664 7.9664 8.4966 8.4966 9.6650 9.6650 10.0002 10.0002 11.3698 11.3698 k =-0.3475 0.5731-0.0000 ( 3892 PWs) bands (ev): -22.0142 -22.0142 -17.8375 -17.8375 -9.6579 -9.6579 -6.8315 -6.8315 -5.8919 -5.8919 -4.5829 -4.5829 -3.2867 -3.2867 -1.4887 -1.4887 1.6633 1.6633 1.7221 1.7221 6.2001 6.2001 7.3087 7.3087 7.7269 7.7269 7.9653 7.9653 8.4921 8.4921 9.6574 9.6574 9.9798 9.9798 11.4309 11.4309 k =-0.3399 0.5913-0.0000 ( 3900 PWs) bands (ev): -22.0140 -22.0140 -17.8372 -17.8372 -9.6577 -9.6577 -6.8392 -6.8392 -5.8926 -5.8926 -4.5804 -4.5804 -3.2933 -3.2933 -1.4875 -1.4875 1.6791 1.6791 1.7456 1.7456 6.1571 6.1571 7.3367 7.3367 7.6828 7.6828 7.9632 7.9632 8.4790 8.4790 9.6509 9.6509 9.9651 9.9651 11.4710 11.4710 k =-0.3322 0.6094-0.0000 ( 3896 PWs) bands (ev): -22.0138 -22.0138 -17.8370 -17.8370 -9.6575 -9.6575 -6.8465 -6.8465 -5.8933 -5.8933 -4.5778 -4.5778 -3.2995 -3.2995 -1.4862 -1.4862 1.6896 1.6896 1.7719 1.7719 6.1208 6.1208 7.3670 7.3670 7.6419 7.6419 7.9601 7.9601 8.4568 8.4568 9.6456 9.6456 9.9578 9.9578 11.5038 11.5038 k =-0.3246 0.6276-0.0000 ( 3896 PWs) bands (ev): -22.0137 -22.0137 -17.8368 -17.8368 -9.6573 -9.6573 -6.8534 -6.8534 -5.8940 -5.8940 -4.5751 -4.5751 -3.3055 -3.3055 -1.4850 -1.4850 1.6979 1.6979 1.7972 1.7972 6.0917 6.0917 7.3994 7.3994 7.6042 7.6042 7.9560 7.9560 8.4251 8.4251 9.6416 9.6416 9.9587 9.9587 11.5299 11.5299 k =-0.3170 0.6457-0.0000 ( 3896 PWs) bands (ev): -22.0135 -22.0135 -17.8366 -17.8366 -9.6572 -9.6572 -6.8598 -6.8598 -5.8949 -5.8949 -4.5724 -4.5724 -3.3111 -3.3111 -1.4838 -1.4838 1.7056 1.7056 1.8196 1.8196 6.0700 6.0700 7.4337 7.4337 7.5700 7.5700 7.9510 7.9510 8.3844 8.3844 9.6390 9.6390 9.9681 9.9681 11.5502 11.5502 k =-0.3094 0.6639-0.0000 ( 3896 PWs) bands (ev): -22.0134 -22.0134 -17.8364 -17.8364 -9.6570 -9.6570 -6.8656 -6.8656 -5.8957 -5.8957 -4.5697 -4.5697 -3.3164 -3.3164 -1.4826 -1.4826 1.7134 1.7134 1.8380 1.8380 6.0560 6.0560 7.4695 7.4695 7.5394 7.5394 7.9452 7.9452 8.3355 8.3355 9.6379 9.6379 9.9859 9.9859 11.5658 11.5658 k =-0.3017 0.6820-0.0000 ( 3902 PWs) bands (ev): -22.0133 -22.0133 -17.8362 -17.8362 -9.6569 -9.6569 -6.8708 -6.8708 -5.8966 -5.8966 -4.5669 -4.5669 -3.3212 -3.3212 -1.4815 -1.4815 1.7215 1.7215 1.8518 1.8518 6.0498 6.0498 7.4999 7.4999 7.5190 7.5190 7.9385 7.9385 8.2796 8.2796 9.6383 9.6383 10.0111 10.0111 11.5779 11.5779 k =-0.2941 0.7002-0.0000 ( 3906 PWs) bands (ev): -22.0132 -22.0132 -17.8360 -17.8360 -9.6568 -9.6568 -6.8754 -6.8754 -5.8976 -5.8976 -4.5642 -4.5642 -3.3255 -3.3255 -1.4803 -1.4803 1.7302 1.7302 1.8606 1.8606 6.0514 6.0514 7.4842 7.4842 7.5488 7.5488 7.9312 7.9312 8.2183 8.2183 9.6405 9.6405 10.0427 10.0427 11.5875 11.5875 k =-0.2941 0.7002-0.0000 ( 3906 PWs) bands (ev): -22.0132 -22.0132 -17.8360 -17.8360 -9.6568 -9.6568 -6.8754 -6.8754 -5.8976 -5.8976 -4.5642 -4.5642 -3.3255 -3.3255 -1.4803 -1.4803 1.7302 1.7302 1.8606 1.8606 6.0514 6.0514 7.4842 7.4842 7.5488 7.5488 7.9312 7.9312 8.2183 8.2183 9.6405 9.6405 10.0427 10.0427 11.5875 11.5875 k =-0.2941 0.7002 0.0199 ( 3903 PWs) bands (ev): -22.0120 -22.0120 -17.8384 -17.8384 -9.6562 -9.6562 -6.8747 -6.8747 -5.9000 -5.9000 -4.5593 -4.5593 -3.3270 -3.3270 -1.4793 -1.4793 1.7297 1.7297 1.8610 1.8610 6.0532 6.0532 7.4395 7.4395 7.5964 7.5964 7.9272 7.9272 8.2182 8.2182 9.6256 9.6256 10.0497 10.0497 11.5971 11.5971 k =-0.2941 0.7002 0.0398 ( 3895 PWs) bands (ev): -22.0086 -22.0086 -17.8457 -17.8457 -9.6545 -9.6545 -6.8726 -6.8726 -5.9071 -5.9071 -4.5448 -4.5448 -3.3316 -3.3316 -1.4763 -1.4763 1.7282 1.7282 1.8622 1.8622 6.0587 6.0587 7.3759 7.3759 7.6685 7.6685 7.9155 7.9155 8.2180 8.2180 9.5836 9.5836 10.0683 10.0683 11.6244 11.6244 k =-0.2941 0.7002 0.0596 ( 3896 PWs) bands (ev): -22.0028 -22.0028 -17.8579 -17.8579 -9.6516 -9.6516 -6.8692 -6.8692 -5.9186 -5.9186 -4.5208 -4.5208 -3.3392 -3.3392 -1.4712 -1.4712 1.7258 1.7258 1.8641 1.8641 6.0678 6.0678 7.3135 7.3135 7.7442 7.7442 7.8965 7.8965 8.2179 8.2179 9.5206 9.5206 10.0946 10.0946 11.6560 11.6560 k =-0.2941 0.7002 0.0795 ( 3895 PWs) bands (ev): -21.9947 -21.9947 -17.8748 -17.8748 -9.6475 -9.6475 -6.8646 -6.8646 -5.9342 -5.9342 -4.4877 -4.4877 -3.3497 -3.3497 -1.4642 -1.4642 1.7225 1.7225 1.8668 1.8668 6.0804 6.0804 7.2539 7.2539 7.8163 7.8163 7.8762 7.8762 8.2181 8.2181 9.4421 9.4421 10.1256 10.1256 11.6332 11.6332 k =-0.2941 0.7002 0.0994 ( 3893 PWs) bands (ev): -21.9843 -21.9843 -17.8965 -17.8965 -9.6421 -9.6421 -6.8591 -6.8591 -5.9533 -5.9533 -4.4461 -4.4461 -3.3632 -3.3632 -1.4553 -1.4553 1.7184 1.7184 1.8703 1.8703 6.0965 6.0965 7.1975 7.1975 7.8225 7.8225 7.9163 7.9163 8.2187 8.2187 9.3524 9.3524 10.1598 10.1598 11.5657 11.5657 k =-0.2941 0.7002 0.1193 ( 3894 PWs) bands (ev): -21.9716 -21.9716 -17.9227 -17.9227 -9.6355 -9.6355 -6.8529 -6.8529 -5.9754 -5.9754 -4.3963 -4.3963 -3.3793 -3.3793 -1.4446 -1.4446 1.7136 1.7136 1.8744 1.8744 6.1159 6.1159 7.1445 7.1445 7.7838 7.7838 7.9957 7.9957 8.2198 8.2198 9.2546 9.2546 10.1969 10.1969 11.4699 11.4699 k =-0.2941 0.7002 0.1392 ( 3886 PWs) bands (ev): -21.9567 -21.9567 -17.9535 -17.9535 -9.6274 -9.6274 -6.8463 -6.8463 -5.9998 -5.9998 -4.3391 -4.3391 -3.3980 -3.3980 -1.4323 -1.4323 1.7082 1.7082 1.8793 1.8793 6.1384 6.1384 7.0949 7.0949 7.7365 7.7365 8.0784 8.0784 8.2215 8.2215 9.1510 9.1510 10.2371 10.2371 11.3597 11.3597 k =-0.2941 0.7002 0.1591 ( 3894 PWs) bands (ev): -21.9394 -21.9394 -17.9886 -17.9886 -9.6180 -9.6180 -6.8399 -6.8399 -6.0257 -6.0257 -4.2750 -4.2750 -3.4190 -3.4190 -1.4183 -1.4183 1.7023 1.7023 1.8848 1.8848 6.1640 6.1640 7.0486 7.0486 7.6836 7.6836 8.1610 8.1610 8.2241 8.2241 9.0436 9.0436 10.2805 10.2805 11.2431 11.2431 k =-0.2941 0.7002 0.1789 ( 3903 PWs) bands (ev): -21.9199 -21.9199 -18.0279 -18.0279 -9.6070 -9.6070 -6.8343 -6.8343 -6.0523 -6.0523 -4.2048 -4.2048 -3.4420 -3.4420 -1.4028 -1.4028 1.6960 1.6960 1.8908 1.8908 6.1922 6.1922 7.0055 7.0055 7.6266 7.6266 8.2202 8.2202 8.2496 8.2496 8.9338 8.9338 10.3275 10.3275 11.1247 11.1247 k =-0.2941 0.7002 0.1988 ( 3899 PWs) bands (ev): -21.8981 -21.8981 -18.0712 -18.0712 -9.5945 -9.5945 -6.8300 -6.8300 -6.0786 -6.0786 -4.1294 -4.1294 -3.4665 -3.4665 -1.3861 -1.3861 1.6896 1.6896 1.8974 1.8974 6.2230 6.2230 6.9652 6.9652 7.5668 7.5668 8.2247 8.2247 8.3279 8.3279 8.8229 8.8229 10.3782 10.3782 11.0072 11.0072 k =-0.2941 0.7002 0.2187 ( 3897 PWs) bands (ev): -21.8740 -21.8740 -18.1185 -18.1185 -9.5804 -9.5804 -6.8281 -6.8281 -6.1036 -6.1036 -4.0501 -4.0501 -3.4915 -3.4915 -1.3681 -1.3681 1.6831 1.6831 1.9044 1.9044 6.2561 6.2561 6.9275 6.9275 7.5053 7.5053 8.2260 8.2260 8.4060 8.4060 8.7122 8.7122 10.4326 10.4326 10.8932 10.8932 k =-0.2941 0.7002 0.2386 ( 3903 PWs) bands (ev): -21.8477 -21.8477 -18.1694 -18.1694 -9.5646 -9.5646 -6.8294 -6.8294 -6.1262 -6.1262 -3.9691 -3.9691 -3.5151 -3.5151 -1.3490 -1.3490 1.6768 1.6768 1.9119 1.9119 6.2912 6.2912 6.8918 6.8918 7.4436 7.4436 8.2259 8.2259 8.4800 8.4800 8.6028 8.6028 10.4907 10.4907 10.7849 10.7849 k =-0.2941 0.7002 0.2585 ( 3909 PWs) bands (ev): -21.8192 -21.8192 -18.2238 -18.2238 -9.5471 -9.5471 -6.8350 -6.8350 -6.1452 -6.1452 -3.8909 -3.8909 -3.5334 -3.5334 -1.3290 -1.3290 1.6707 1.6707 1.9196 1.9196 6.3279 6.3279 6.8578 6.8578 7.3828 7.3828 8.2235 8.2235 8.4950 8.4950 8.5494 8.5494 10.5515 10.5515 10.6853 10.6853 k =-0.2941 0.7002 0.2783 ( 3903 PWs) bands (ev): -21.7884 -21.7884 -18.2815 -18.2815 -9.5277 -9.5277 -6.8460 -6.8460 -6.1594 -6.1594 -3.8253 -3.8253 -3.5367 -3.5367 -1.3082 -1.3082 1.6651 1.6651 1.9275 1.9275 6.3658 6.3658 6.8246 6.8246 7.3246 7.3246 8.2163 8.2163 8.3943 8.3943 8.6096 8.6096 10.5810 10.5810 10.6307 10.6307 k =-0.2941 0.7002 0.2982 ( 3901 PWs) bands (ev): -21.7555 -21.7555 -18.3423 -18.3423 -9.5065 -9.5065 -6.8630 -6.8630 -6.1679 -6.1679 -3.7887 -3.7887 -3.5091 -3.5091 -1.2868 -1.2868 1.6601 1.6601 1.9355 1.9355 6.4046 6.4046 6.7917 6.7917 7.2703 7.2703 8.1944 8.1944 8.3090 8.3090 8.6604 8.6604 10.5092 10.5092 10.6931 10.6931 k =-0.2941 0.7002 0.3181 ( 3901 PWs) bands (ev): -21.7204 -21.7204 -18.4060 -18.4060 -9.4833 -9.4833 -6.8867 -6.8867 -6.1701 -6.1701 -3.7877 -3.7877 -3.4444 -3.4444 -1.2649 -1.2649 1.6558 1.6558 1.9436 1.9436 6.4434 6.4434 6.7585 6.7585 7.2214 7.2214 8.1358 8.1358 8.2618 8.2618 8.6990 8.6990 10.4452 10.4452 10.7656 10.7656 k =-0.2941 0.7002 0.3380 ( 3907 PWs) bands (ev): -21.6831 -21.6831 -18.4723 -18.4723 -9.4583 -9.4583 -6.9170 -6.9170 -6.1657 -6.1657 -3.8102 -3.8102 -3.3551 -3.3551 -1.2427 -1.2427 1.6524 1.6524 1.9515 1.9515 6.4813 6.4813 6.7251 6.7251 7.1790 7.1790 8.0506 8.0506 8.2429 8.2429 8.7234 8.7234 10.3972 10.3972 10.8419 10.8419 k =-0.2941 0.7002 0.3579 ( 3909 PWs) bands (ev): -21.6436 -21.6436 -18.5411 -18.5411 -9.4313 -9.4313 -6.9537 -6.9537 -6.1550 -6.1550 -3.8448 -3.8448 -3.2529 -3.2529 -1.2203 -1.2203 1.6499 1.6499 1.9592 1.9592 6.5159 6.5159 6.6929 6.6929 7.1439 7.1439 7.9603 7.9603 8.2308 8.2308 8.7320 8.7320 10.3672 10.3672 10.9212 10.9212 k =-0.2941 0.7002 0.3777 ( 3911 PWs) bands (ev): -21.6021 -21.6021 -18.6121 -18.6121 -9.4022 -9.4022 -6.9963 -6.9963 -6.1384 -6.1384 -3.8860 -3.8860 -3.1437 -3.1437 -1.1980 -1.1980 1.6486 1.6486 1.9666 1.9666 6.5412 6.5412 6.6678 6.6678 7.1164 7.1164 7.8717 7.8717 8.2193 8.2193 8.7243 8.7243 10.3555 10.3555 11.0028 11.0028 k =-0.2941 0.7002 0.3976 ( 3905 PWs) bands (ev): -21.5584 -21.5584 -18.6852 -18.6852 -9.3712 -9.3712 -7.0441 -7.0441 -6.1165 -6.1165 -3.9316 -3.9316 -3.0304 -3.0304 -1.1759 -1.1759 1.6484 1.6484 1.9735 1.9735 6.5439 6.5439 6.6628 6.6628 7.0964 7.0964 7.7868 7.7868 8.2064 8.2064 8.7011 8.7011 10.3615 10.3615 11.0862 11.0862 k =-0.2941 0.7002 0.4175 ( 3904 PWs) bands (ev): -21.5127 -21.5127 -18.7601 -18.7601 -9.3382 -9.3382 -7.0962 -7.0962 -6.0898 -6.0898 -3.9803 -3.9803 -2.9145 -2.9145 -1.1541 -1.1541 1.6494 1.6494 1.9798 1.9798 6.5214 6.5214 6.6811 6.6811 7.0832 7.0832 7.7068 7.7068 8.1915 8.1915 8.6642 8.6642 10.3832 10.3832 11.1706 11.1706 k =-0.2941 0.7002 0.4374 ( 3902 PWs) bands (ev): -21.4649 -21.4649 -18.8366 -18.8366 -9.3032 -9.3032 -7.1522 -7.1522 -6.0590 -6.0590 -4.0315 -4.0315 -2.7972 -2.7972 -1.1330 -1.1330 1.6518 1.6518 1.9854 1.9854 6.4878 6.4878 6.7087 6.7087 7.0759 7.0759 7.6325 7.6325 8.1741 8.1741 8.6161 8.6161 10.4177 10.4177 11.2550 11.2550 k =-0.2941 0.7002 0.4573 ( 3906 PWs) bands (ev): -21.4151 -21.4151 -18.9146 -18.9146 -9.2661 -9.2661 -7.2112 -7.2112 -6.0245 -6.0245 -4.0847 -4.0847 -2.6793 -2.6793 -1.1127 -1.1127 1.6555 1.6555 1.9902 1.9902 6.4516 6.4516 6.7373 6.7373 7.0738 7.0738 7.5647 7.5647 8.1542 8.1542 8.5594 8.5594 10.4619 10.4619 11.3378 11.3378 k =-0.2941 0.7002 0.4772 ( 3918 PWs) bands (ev): -21.3634 -21.3634 -18.9939 -18.9939 -9.2271 -9.2271 -7.2729 -7.2729 -5.9869 -5.9869 -4.1396 -4.1396 -2.5617 -2.5617 -1.0934 -1.0934 1.6605 1.6605 1.9941 1.9941 6.4164 6.4164 6.7634 6.7634 7.0760 7.0760 7.5043 7.5043 8.1315 8.1315 8.4968 8.4968 10.5126 10.5126 11.4066 11.4066 k =-0.2941 0.7002 0.4970 ( 3916 PWs) bands (ev): -21.3097 -21.3097 -19.0741 -19.0741 -9.1861 -9.1861 -7.3367 -7.3367 -5.9463 -5.9463 -4.1961 -4.1961 -2.4450 -2.4450 -1.0754 -1.0754 1.6669 1.6669 1.9969 1.9969 6.3838 6.3838 6.7849 6.7849 7.0816 7.0816 7.4522 7.4522 8.1063 8.1063 8.4305 8.4305 10.5665 10.5665 11.3984 11.3984 k =-0.2941 0.7002 0.5169 ( 3904 PWs) bands (ev): -21.2540 -21.2540 -19.1553 -19.1553 -9.1432 -9.1432 -7.4022 -7.4022 -5.9032 -5.9032 -4.2540 -4.2540 -2.3298 -2.3298 -1.0590 -1.0590 1.6746 1.6746 1.9985 1.9985 6.3550 6.3550 6.8002 6.8002 7.0899 7.0899 7.4093 7.4093 8.0786 8.0786 8.3626 8.3626 10.6203 10.6203 11.3850 11.3850 k =-0.2941 0.7002 0.5368 ( 3908 PWs) bands (ev): -21.1965 -21.1965 -19.2372 -19.2372 -9.0983 -9.0983 -7.4691 -7.4691 -5.8578 -5.8578 -4.3130 -4.3130 -2.2168 -2.2168 -1.0444 -1.0444 1.6836 1.6836 1.9989 1.9989 6.3309 6.3309 6.8083 6.8083 7.1001 7.1001 7.3759 7.3759 8.0487 8.0487 8.2946 8.2946 10.6704 10.6704 11.3783 11.3783 k =-0.2941 0.7002 0.5567 ( 3908 PWs) bands (ev): -21.1371 -21.1371 -19.3196 -19.3196 -9.0516 -9.0516 -7.5371 -7.5371 -5.8103 -5.8103 -4.3731 -4.3731 -2.1067 -2.1067 -1.0320 -1.0320 1.6939 1.6939 1.9979 1.9979 6.3119 6.3119 6.8085 6.8085 7.1118 7.1118 7.3519 7.3519 8.0172 8.0172 8.2279 8.2279 10.7136 10.7136 11.3816 11.3816 k =-0.2941 0.7002 0.5766 ( 3908 PWs) bands (ev): -21.0760 -21.0760 -19.4024 -19.4024 -9.0030 -9.0030 -7.6059 -7.6059 -5.7608 -5.7608 -4.4341 -4.4341 -1.9999 -1.9999 -1.0219 -1.0219 1.7053 1.7053 1.9956 1.9956 6.2984 6.2984 6.8012 6.8012 7.1243 7.1243 7.3363 7.3363 7.9847 7.9847 8.1636 8.1636 10.7467 10.7467 11.3977 11.3977 k =-0.2941 0.7002 0.5964 ( 3908 PWs) bands (ev): -21.0131 -21.0131 -19.4855 -19.4855 -8.9526 -8.9526 -7.6754 -7.6754 -5.7096 -5.7096 -4.4958 -4.4958 -1.8971 -1.8971 -1.0147 -1.0147 1.7178 1.7178 1.9918 1.9918 6.2908 6.2908 6.7872 6.7872 7.1373 7.1373 7.3269 7.3269 7.9520 7.9520 8.1028 8.1028 10.7686 10.7686 11.4278 11.4278 k =-0.2941 0.7002 0.6163 ( 3914 PWs) bands (ev): -20.9485 -20.9485 -19.5686 -19.5686 -8.9005 -8.9005 -7.7451 -7.7451 -5.6568 -5.6568 -4.5582 -4.5582 -1.7986 -1.7986 -1.0105 -1.0105 1.7313 1.7313 1.9866 1.9866 6.2892 6.2892 6.7681 6.7681 7.1502 7.1502 7.3214 7.3214 7.9201 7.9201 8.0462 8.0462 10.7798 10.7798 11.4679 11.4679 k =-0.2941 0.7002 0.6362 ( 3898 PWs) bands (ev): -20.8822 -20.8822 -19.6517 -19.6517 -8.8466 -8.8466 -7.8151 -7.8151 -5.6026 -5.6026 -4.6211 -4.6211 -1.7051 -1.7051 -1.0097 -1.0097 1.7457 1.7457 1.9800 1.9800 6.2935 6.2935 6.7452 6.7452 7.1627 7.1627 7.3174 7.3174 7.8900 7.8900 7.9947 7.9947 10.7828 10.7828 11.4327 11.4327 k =-0.2941 0.7002 0.6561 ( 3908 PWs) bands (ev): -20.8143 -20.8143 -19.7346 -19.7346 -8.7912 -8.7912 -7.8851 -7.8851 -5.5469 -5.5469 -4.6844 -4.6844 -1.6169 -1.6169 -1.0128 -1.0128 1.7608 1.7608 1.9719 1.9719 6.3037 6.3037 6.7195 6.7195 7.1744 7.1744 7.3132 7.3132 7.8628 7.8628 7.9487 7.9487 10.7807 10.7807 11.3341 11.3341 k =-0.2941 0.7002 0.6760 ( 3908 PWs) bands (ev): -20.7449 -20.7449 -19.8172 -19.8172 -8.7341 -8.7341 -7.9549 -7.9549 -5.4900 -5.4900 -4.7480 -4.7480 -1.5344 -1.5344 -1.0199 -1.0199 1.7765 1.7765 1.9625 1.9625 6.3194 6.3194 6.6917 6.6917 7.1851 7.1851 7.3073 7.3073 7.8393 7.8393 7.9087 7.9087 10.7768 10.7768 11.2355 11.2355 k =-0.2941 0.7002 0.6959 ( 3907 PWs) bands (ev): -20.6740 -20.6740 -19.8993 -19.8993 -8.6755 -8.6755 -8.0243 -8.0243 -5.4320 -5.4320 -4.8116 -4.8116 -1.4578 -1.4578 -1.0316 -1.0316 1.7926 1.7926 1.9519 1.9519 6.3401 6.3401 6.6622 6.6622 7.1945 7.1945 7.2996 7.2996 7.8199 7.8199 7.8751 7.8751 10.7737 10.7737 11.1436 11.1436 k =-0.2941 0.7002 0.7157 ( 3907 PWs) bands (ev): -20.6017 -20.6017 -19.9809 -19.9809 -8.6155 -8.6155 -8.0934 -8.0934 -5.3729 -5.3729 -4.8754 -4.8754 -1.3874 -1.3874 -1.0481 -1.0481 1.8088 1.8088 1.9402 1.9402 6.3653 6.3653 6.6311 6.6311 7.2027 7.2027 7.2902 7.2902 7.8050 7.8050 7.8478 7.8478 10.7738 10.7738 11.0611 11.0611 k =-0.2941 0.7002 0.7356 ( 3907 PWs) bands (ev): -20.5280 -20.5280 -20.0618 -20.0618 -8.5541 -8.5541 -8.1618 -8.1618 -5.3129 -5.3129 -4.9390 -4.9390 -1.3232 -1.3232 -1.0698 -1.0698 1.8249 1.8249 1.9277 1.9277 6.3943 6.3943 6.5987 6.5987 7.2098 7.2098 7.2800 7.2800 7.7941 7.7941 7.8269 7.8269 10.7789 10.7789 10.9892 10.9892 k =-0.2941 0.7002 0.7555 ( 3911 PWs) bands (ev): -20.4531 -20.4531 -20.1420 -20.1420 -8.4915 -8.4915 -8.2296 -8.2296 -5.2520 -5.2520 -5.0024 -5.0024 -1.2655 -1.2655 -1.0969 -1.0969 1.8403 1.8403 1.9149 1.9149 6.4261 6.4261 6.5649 6.5649 7.2158 7.2158 7.2703 7.2703 7.7869 7.7869 7.8122 7.8122 10.7907 10.7907 10.9285 10.9285 k =-0.2941 0.7002 0.7754 ( 3910 PWs) bands (ev): -20.3769 -20.3769 -20.2213 -20.2213 -8.4276 -8.4276 -8.2965 -8.2965 -5.1905 -5.1905 -5.0656 -5.0656 -1.2142 -1.2142 -1.1297 -1.1297 1.8535 1.8535 1.9033 1.9033 6.4598 6.4598 6.5303 6.5303 7.2205 7.2205 7.2628 7.2628 7.7828 7.7828 7.8034 7.8034 10.8104 10.8104 10.8790 10.8790 k =-0.2941 0.7002 0.7953 ( 3910 PWs) bands (ev): -20.2996 -20.2996 -20.2996 -20.2996 -8.3628 -8.3628 -8.3624 -8.3624 -5.1293 -5.1293 -5.1273 -5.1273 -1.1735 -1.1735 -1.1643 -1.1643 1.8597 1.8597 1.8976 1.8976 6.4913 6.4913 6.4986 6.4986 7.2224 7.2224 7.2598 7.2598 7.7815 7.7815 7.8005 7.8005 10.8352 10.8352 10.8441 10.8441 k =-0.2941 0.7002 0.7953 ( 3910 PWs) bands (ev): -20.2996 -20.2996 -20.2996 -20.2996 -8.3628 -8.3628 -8.3624 -8.3624 -5.1293 -5.1293 -5.1273 -5.1273 -1.1735 -1.1735 -1.1643 -1.1643 1.8597 1.8597 1.8976 1.8976 6.4913 6.4913 6.4986 6.4986 7.2224 7.2224 7.2598 7.2598 7.7815 7.7815 7.8005 7.8005 10.8352 10.8352 10.8441 10.8441 k =-0.3017 0.6820 0.7953 ( 3910 PWs) bands (ev): -20.2997 -20.2997 -20.2997 -20.2997 -8.3636 -8.3636 -8.3632 -8.3632 -5.1261 -5.1261 -5.1232 -5.1232 -1.1700 -1.1700 -1.1633 -1.1633 1.8628 1.8628 1.8992 1.8992 6.5184 6.5184 6.5302 6.5302 7.1605 7.1605 7.1959 7.1959 7.7802 7.7802 7.7961 7.7961 10.7779 10.7779 10.7864 10.7864 k =-0.3094 0.6639 0.7953 ( 3920 PWs) bands (ev): -20.2998 -20.2998 -20.2998 -20.2998 -8.3645 -8.3645 -8.3640 -8.3640 -5.1223 -5.1223 -5.1187 -5.1187 -1.1667 -1.1667 -1.1626 -1.1626 1.8664 1.8664 1.9012 1.9012 6.5418 6.5418 6.5591 6.5591 7.0997 7.0997 7.1322 7.1322 7.7833 7.7833 7.7958 7.7958 10.7203 10.7203 10.7287 10.7287 k =-0.3170 0.6457 0.7953 ( 3912 PWs) bands (ev): -20.3000 -20.3000 -20.2999 -20.2999 -8.3654 -8.3654 -8.3648 -8.3648 -5.1181 -5.1181 -5.1137 -5.1137 -1.1636 -1.1636 -1.1619 -1.1619 1.8704 1.8704 1.9037 1.9037 6.5599 6.5599 6.5836 6.5836 7.0418 7.0418 7.0705 7.0705 7.7910 7.7910 7.7998 7.7998 10.6629 10.6629 10.6716 10.6716 k =-0.3246 0.6276 0.7953 ( 3908 PWs) bands (ev): -20.3001 -20.3001 -20.3001 -20.3001 -8.3664 -8.3664 -8.3657 -8.3657 -5.1134 -5.1134 -5.1083 -5.1083 -1.1612 -1.1612 -1.1608 -1.1608 1.8748 1.8748 1.9065 1.9065 6.5704 6.5704 6.6017 6.6017 6.9894 6.9894 7.0131 7.0131 7.8035 7.8035 7.8083 7.8083 10.6064 10.6064 10.6156 10.6156 k =-0.3322 0.6094 0.7953 ( 3904 PWs) bands (ev): -20.3003 -20.3003 -20.3002 -20.3002 -8.3674 -8.3674 -8.3667 -8.3667 -5.1083 -5.1083 -5.1025 -5.1025 -1.1607 -1.1607 -1.1581 -1.1581 1.8796 1.8796 1.9097 1.9097 6.5707 6.5707 6.6102 6.6102 6.9456 6.9456 6.9633 6.9633 7.8207 7.8207 7.8216 7.8216 10.5512 10.5512 10.5611 10.5611 k =-0.3399 0.5913 0.7953 ( 3900 PWs) bands (ev): -20.3004 -20.3004 -20.3004 -20.3004 -8.3684 -8.3684 -8.3676 -8.3676 -5.1027 -5.1027 -5.0964 -5.0964 -1.1602 -1.1602 -1.1557 -1.1557 1.8846 1.8846 1.9132 1.9132 6.5581 6.5581 6.6051 6.6051 6.9131 6.9131 6.9254 6.9254 7.8395 7.8395 7.8427 7.8427 10.4976 10.4976 10.5084 10.5084 k =-0.3475 0.5731 0.7953 ( 3904 PWs) bands (ev): -20.3006 -20.3006 -20.3006 -20.3006 -8.3694 -8.3694 -8.3686 -8.3686 -5.0969 -5.0969 -5.0901 -5.0901 -1.1598 -1.1598 -1.1535 -1.1535 1.8899 1.8899 1.9170 1.9170 6.5319 6.5319 6.5840 6.5840 6.8933 6.8933 6.9022 6.9022 7.8621 7.8621 7.8692 7.8692 10.4459 10.4459 10.4577 10.4577 k =-0.3551 0.5550 0.7953 ( 3900 PWs) bands (ev): -20.3008 -20.3008 -20.3007 -20.3007 -8.3704 -8.3704 -8.3696 -8.3696 -5.0908 -5.0908 -5.0836 -5.0836 -1.1594 -1.1594 -1.1515 -1.1515 1.8954 1.8954 1.9209 1.9209 6.4941 6.4941 6.5480 6.5480 6.8844 6.8844 6.8928 6.8928 7.8890 7.8890 7.8999 7.8999 10.3963 10.3963 10.4093 10.4093 k =-0.3627 0.5368 0.7953 ( 3900 PWs) bands (ev): -20.3009 -20.3009 -20.3009 -20.3009 -8.3714 -8.3714 -8.3705 -8.3705 -5.0845 -5.0845 -5.0769 -5.0769 -1.1590 -1.1590 -1.1498 -1.1498 1.9011 1.9011 1.9250 1.9250 6.4483 6.4483 6.5016 6.5016 6.8834 6.8834 6.8932 6.8932 7.9199 7.9199 7.9343 7.9343 10.3492 10.3492 10.3633 10.3633 k =-0.3704 0.5186 0.7953 ( 3900 PWs) bands (ev): -20.3011 -20.3011 -20.3011 -20.3011 -8.3724 -8.3724 -8.3715 -8.3715 -5.0780 -5.0780 -5.0702 -5.0702 -1.1586 -1.1586 -1.1482 -1.1482 1.9067 1.9067 1.9292 1.9292 6.3981 6.3981 6.4494 6.4494 6.8872 6.8872 6.8992 6.8992 7.9544 7.9544 7.9720 7.9720 10.3047 10.3047 10.3200 10.3200 k =-0.3780 0.5005 0.7953 ( 3896 PWs) bands (ev): -20.3013 -20.3013 -20.3013 -20.3013 -8.3733 -8.3733 -8.3725 -8.3725 -5.0714 -5.0714 -5.0634 -5.0634 -1.1583 -1.1583 -1.1469 -1.1469 1.9124 1.9124 1.9334 1.9334 6.3458 6.3458 6.3947 6.3947 6.8939 6.8939 6.9080 6.9080 7.9918 7.9918 8.0122 8.0122 10.2631 10.2631 10.2796 10.2796 k =-0.3856 0.4823 0.7953 ( 3892 PWs) bands (ev): -20.3015 -20.3015 -20.3015 -20.3015 -8.3743 -8.3743 -8.3735 -8.3735 -5.0647 -5.0647 -5.0567 -5.0567 -1.1579 -1.1579 -1.1458 -1.1458 1.9181 1.9181 1.9376 1.9376 6.2934 6.2934 6.3396 6.3396 6.9021 6.9021 6.9180 6.9180 8.0315 8.0315 8.0544 8.0544 10.2245 10.2245 10.2422 10.2422 k =-0.3932 0.4642 0.7953 ( 3884 PWs) bands (ev): -20.3017 -20.3017 -20.3017 -20.3017 -8.3752 -8.3752 -8.3744 -8.3744 -5.0581 -5.0581 -5.0501 -5.0501 -1.1575 -1.1575 -1.1449 -1.1449 1.9237 1.9237 1.9417 1.9417 6.2419 6.2419 6.2853 6.2853 6.9111 6.9111 6.9285 6.9285 8.0728 8.0728 8.0976 8.0976 10.1892 10.1892 10.2080 10.2080 k =-0.4009 0.4460 0.7953 ( 3892 PWs) bands (ev): -20.3019 -20.3019 -20.3018 -20.3018 -8.3761 -8.3761 -8.3753 -8.3753 -5.0515 -5.0515 -5.0436 -5.0436 -1.1570 -1.1570 -1.1442 -1.1442 1.9291 1.9291 1.9456 1.9456 6.1923 6.1923 6.2328 6.2328 6.9204 6.9204 6.9388 6.9388 8.1149 8.1149 8.1413 8.1413 10.1575 10.1575 10.1771 10.1771 k =-0.4085 0.4279 0.7953 ( 3894 PWs) bands (ev): -20.3020 -20.3020 -20.3020 -20.3020 -8.3769 -8.3769 -8.3762 -8.3762 -5.0451 -5.0451 -5.0374 -5.0374 -1.1565 -1.1565 -1.1436 -1.1436 1.9343 1.9343 1.9494 1.9494 6.1451 6.1451 6.1826 6.1826 6.9299 6.9299 6.9487 6.9487 8.1570 8.1570 8.1844 8.1844 10.1295 10.1295 10.1497 10.1497 k =-0.4161 0.4097 0.7953 ( 3898 PWs) bands (ev): -20.3022 -20.3022 -20.3022 -20.3022 -8.3777 -8.3777 -8.3770 -8.3770 -5.0389 -5.0389 -5.0315 -5.0315 -1.1560 -1.1560 -1.1433 -1.1433 1.9393 1.9393 1.9530 1.9530 6.1008 6.1008 6.1353 6.1353 6.9394 6.9394 6.9582 6.9582 8.1984 8.1984 8.2264 8.2264 10.1053 10.1053 10.1260 10.1260 k =-0.4237 0.3916 0.7953 ( 3898 PWs) bands (ev): -20.3024 -20.3024 -20.3023 -20.3023 -8.3785 -8.3785 -8.3778 -8.3778 -5.0329 -5.0329 -5.0259 -5.0259 -1.1554 -1.1554 -1.1431 -1.1431 1.9440 1.9440 1.9563 1.9563 6.0596 6.0596 6.0911 6.0911 6.9487 6.9487 6.9672 6.9672 8.2383 8.2383 8.2664 8.2664 10.0852 10.0852 10.1059 10.1059 k =-0.4314 0.3734 0.7953 ( 3894 PWs) bands (ev): -20.3025 -20.3025 -20.3025 -20.3025 -8.3792 -8.3792 -8.3785 -8.3785 -5.0273 -5.0273 -5.0207 -5.0207 -1.1548 -1.1548 -1.1431 -1.1431 1.9484 1.9484 1.9594 1.9594 6.0219 6.0219 6.0504 6.0504 6.9578 6.9578 6.9755 6.9755 8.2761 8.2761 8.3038 8.3038 10.0692 10.0692 10.0894 10.0894 k =-0.4390 0.3553 0.7953 ( 3898 PWs) bands (ev): -20.3027 -20.3027 -20.3026 -20.3026 -8.3798 -8.3798 -8.3792 -8.3792 -5.0220 -5.0220 -5.0160 -5.0160 -1.1542 -1.1542 -1.1432 -1.1432 1.9524 1.9524 1.9621 1.9621 5.9879 5.9879 6.0133 6.0133 6.9666 6.9666 6.9832 6.9832 8.3113 8.3113 8.3378 8.3378 10.0570 10.0570 10.0763 10.0763 k =-0.4466 0.3371 0.7953 ( 3900 PWs) bands (ev): -20.3028 -20.3028 -20.3028 -20.3028 -8.3804 -8.3804 -8.3798 -8.3798 -5.0172 -5.0172 -5.0118 -5.0118 -1.1535 -1.1535 -1.1435 -1.1435 1.9561 1.9561 1.9645 1.9645 5.9578 5.9578 5.9801 5.9801 6.9748 6.9748 6.9901 6.9901 8.3432 8.3432 8.3681 8.3681 10.0485 10.0485 10.0665 10.0665 k =-0.4542 0.3189 0.7953 ( 3892 PWs) bands (ev): -20.3029 -20.3029 -20.3029 -20.3029 -8.3809 -8.3809 -8.3804 -8.3804 -5.0129 -5.0129 -5.0081 -5.0081 -1.1527 -1.1527 -1.1438 -1.1438 1.9594 1.9594 1.9666 1.9666 5.9316 5.9316 5.9508 5.9508 6.9825 6.9825 6.9961 6.9961 8.3716 8.3716 8.3943 8.3943 10.0433 10.0433 10.0595 10.0595 k =-0.4619 0.3008 0.7953 ( 3896 PWs) bands (ev): -20.3030 -20.3030 -20.3030 -20.3030 -8.3813 -8.3813 -8.3809 -8.3809 -5.0090 -5.0090 -5.0050 -5.0050 -1.1519 -1.1519 -1.1443 -1.1443 1.9623 1.9623 1.9683 1.9683 5.9096 5.9096 5.9256 5.9256 6.9895 6.9895 7.0012 7.0012 8.3962 8.3962 8.4161 8.4161 10.0408 10.0408 10.0549 10.0549 k =-0.4695 0.2826 0.7953 ( 3900 PWs) bands (ev): -20.3031 -20.3031 -20.3031 -20.3031 -8.3816 -8.3816 -8.3813 -8.3813 -5.0058 -5.0058 -5.0025 -5.0025 -1.1511 -1.1511 -1.1449 -1.1449 1.9648 1.9648 1.9695 1.9695 5.8917 5.8917 5.9045 5.9045 6.9957 6.9957 7.0053 7.0053 8.4168 8.4168 8.4334 8.4334 10.0404 10.0404 10.0519 10.0519 k =-0.4771 0.2645 0.7953 ( 3896 PWs) bands (ev): -20.3031 -20.3031 -20.3031 -20.3031 -8.3818 -8.3818 -8.3816 -8.3816 -5.0031 -5.0031 -5.0006 -5.0006 -1.1503 -1.1503 -1.1455 -1.1455 1.9669 1.9669 1.9704 1.9704 5.8781 5.8781 5.8878 5.8878 7.0009 7.0009 7.0083 7.0083 8.4334 8.4334 8.4462 8.4462 10.0413 10.0413 10.0501 10.0501 k =-0.4847 0.2463 0.7953 ( 3900 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3820 -8.3820 -8.3819 -8.3819 -5.0010 -5.0010 -4.9993 -4.9993 -1.1495 -1.1495 -1.1462 -1.1462 1.9685 1.9685 1.9709 1.9709 5.8689 5.8689 5.8753 5.8753 7.0051 7.0051 7.0101 7.0101 8.4458 8.4458 8.4546 8.4546 10.0430 10.0430 10.0489 10.0489 k =-0.4924 0.2282 0.7953 ( 3900 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3821 -8.3821 -8.3820 -8.3820 -4.9996 -4.9996 -4.9988 -4.9988 -1.1486 -1.1486 -1.1470 -1.1470 1.9698 1.9698 1.9709 1.9709 5.8639 5.8639 5.8671 5.8671 7.0082 7.0082 7.0107 7.0107 8.4542 8.4542 8.4586 8.4586 10.0448 10.0448 10.0478 10.0478 k =-0.5000 0.2100 0.7953 ( 3896 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3821 -8.3821 -8.3821 -8.3821 -4.9989 -4.9989 -4.9989 -4.9989 -1.1478 -1.1478 -1.1478 -1.1478 1.9706 1.9706 1.9706 1.9706 5.8633 5.8633 5.8633 5.8633 7.0101 7.0101 7.0101 7.0101 8.4585 8.4585 8.4585 8.4585 10.0464 10.0464 10.0464 10.0464 k =-0.5000 0.2100 0.7953 ( 3896 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3821 -8.3821 -8.3821 -8.3821 -4.9989 -4.9989 -4.9989 -4.9989 -1.1478 -1.1478 -1.1478 -1.1478 1.9706 1.9706 1.9706 1.9706 5.8633 5.8633 5.8633 5.8633 7.0101 7.0101 7.0101 7.0101 8.4585 8.4585 8.4585 8.4585 10.0464 10.0464 10.0464 10.0464 k =-0.5000 0.2100 0.7754 ( 3912 PWs) bands (ev): -20.3805 -20.3805 -20.2249 -20.2249 -8.4476 -8.4476 -8.3156 -8.3156 -5.0585 -5.0585 -4.9387 -4.9387 -1.1914 -1.1914 -1.1110 -1.1110 1.9644 1.9644 1.9750 1.9750 5.8629 5.8629 5.8700 5.8700 6.9616 6.9616 7.0610 7.0610 8.3689 8.3689 8.5496 8.5496 9.9992 9.9992 10.0982 10.0982 k =-0.5000 0.2100 0.7555 ( 3912 PWs) bands (ev): -20.4567 -20.4567 -20.1456 -20.1456 -8.5118 -8.5118 -8.2480 -8.2480 -5.1176 -5.1176 -4.8781 -4.8781 -1.2419 -1.2419 -1.0807 -1.0807 1.9567 1.9567 1.9777 1.9777 5.8689 5.8689 5.8827 5.8827 6.9159 6.9159 7.1142 7.1142 8.2830 8.2830 8.6399 8.6399 9.9553 9.9553 10.1563 10.1563 k =-0.5000 0.2100 0.7356 ( 3912 PWs) bands (ev): -20.5316 -20.5316 -20.0654 -20.0654 -8.5748 -8.5748 -8.1796 -8.1796 -5.1760 -5.1760 -4.8172 -4.8172 -1.2994 -1.2994 -1.0567 -1.0567 1.9476 1.9476 1.9783 1.9783 5.8816 5.8816 5.9009 5.9009 6.8731 6.8731 7.1693 7.1693 8.2025 8.2025 8.7267 8.7267 9.9137 9.9137 10.2228 10.2228 k =-0.5000 0.2100 0.7157 ( 3910 PWs) bands (ev): -20.6053 -20.6053 -19.9845 -19.9845 -8.6365 -8.6365 -8.1104 -8.1104 -5.2336 -5.2336 -4.7561 -4.7561 -1.3640 -1.3640 -1.0384 -1.0384 1.9373 1.9373 1.9769 1.9769 5.9009 5.9009 5.9241 5.9241 6.8334 6.8334 7.2261 7.2261 8.1289 8.1289 8.8074 8.8074 9.8738 9.8738 10.2995 10.2995 k =-0.5000 0.2100 0.6959 ( 3918 PWs) bands (ev): -20.6777 -20.6777 -19.9029 -19.9029 -8.6967 -8.6967 -8.0405 -8.0405 -5.2903 -5.2903 -4.6948 -4.6948 -1.4355 -1.4355 -1.0256 -1.0256 1.9257 1.9257 1.9734 1.9734 5.9268 5.9268 5.9521 5.9521 6.7970 6.7970 7.2843 7.2843 8.0634 8.0634 8.8794 8.8794 9.8353 9.8353 10.3882 10.3882 k =-0.5000 0.2100 0.6760 ( 3906 PWs) bands (ev): -20.7486 -20.7486 -19.8208 -19.8208 -8.7554 -8.7554 -7.9700 -7.9700 -5.3462 -5.3462 -4.6335 -4.6335 -1.5138 -1.5138 -1.0177 -1.0177 1.9128 1.9128 1.9680 1.9680 5.9591 5.9591 5.9842 5.9842 6.7640 6.7640 7.3434 7.3434 8.0068 8.0068 8.9411 8.9411 9.7981 9.7981 10.3655 10.3655 k =-0.5000 0.2100 0.6561 ( 3902 PWs) bands (ev): -20.8180 -20.8180 -19.7382 -19.7382 -8.8125 -8.8125 -7.8992 -7.8992 -5.4010 -5.4010 -4.5722 -4.5722 -1.5985 -1.5985 -1.0145 -1.0145 1.8985 1.8985 1.9609 1.9609 5.9974 5.9974 6.0202 6.0202 6.7346 6.7346 7.4030 7.4030 7.9601 7.9601 8.9916 8.9916 9.7624 9.7624 10.3036 10.3036 k =-0.5000 0.2100 0.6362 ( 3896 PWs) bands (ev): -20.8859 -20.8859 -19.6553 -19.6553 -8.8680 -8.8680 -7.8281 -7.8281 -5.4546 -5.4546 -4.5111 -4.5111 -1.6894 -1.6894 -1.0153 -1.0153 1.8826 1.8826 1.9525 1.9525 6.0407 6.0407 6.0602 6.0602 6.7090 6.7090 7.4626 7.4626 7.9236 7.9236 9.0308 9.0308 9.7283 9.7283 10.2468 10.2468 k =-0.5000 0.2100 0.6163 ( 3894 PWs) bands (ev): -20.9521 -20.9521 -19.5722 -19.5722 -8.9218 -8.9218 -7.7568 -7.7568 -5.5071 -5.5071 -4.4503 -4.4503 -1.7859 -1.7859 -1.0198 -1.0198 1.8648 1.8648 1.9431 1.9431 6.0869 6.0869 6.1053 6.1053 6.6872 6.6872 7.5217 7.5217 7.8980 7.8980 9.0596 9.0596 9.6960 9.6960 10.1955 10.1955 k =-0.5000 0.2100 0.5964 ( 3894 PWs) bands (ev): -21.0168 -21.0168 -19.4891 -19.4891 -8.9738 -8.9738 -7.6856 -7.6856 -5.5583 -5.5583 -4.3899 -4.3899 -1.8876 -1.8876 -1.0276 -1.0276 1.8449 1.8449 1.9329 1.9329 6.1331 6.1331 6.1577 6.1577 6.6693 6.6693 7.5796 7.5796 7.8834 7.8834 9.0792 9.0792 9.6660 9.6660 10.1502 10.1502 k =-0.5000 0.2100 0.5766 ( 3894 PWs) bands (ev): -21.0797 -21.0797 -19.4061 -19.4061 -9.0240 -9.0240 -7.6146 -7.6146 -5.6081 -5.6081 -4.3299 -4.3299 -1.9940 -1.9940 -1.0383 -1.0383 1.8227 1.8227 1.9225 1.9225 6.1787 6.1787 6.2169 6.2169 6.6556 6.6556 7.6356 7.6356 7.8801 7.8801 9.0914 9.0914 9.6387 9.6387 10.1113 10.1113 k =-0.5000 0.2100 0.5567 ( 3900 PWs) bands (ev): -21.1409 -21.1409 -19.3233 -19.3233 -9.0723 -9.0723 -7.5440 -7.5440 -5.6564 -5.6564 -4.2706 -4.2706 -2.1043 -2.1043 -1.0514 -1.0514 1.7984 1.7984 1.9118 1.9118 6.2246 6.2246 6.2813 6.2813 6.6460 6.6460 7.6890 7.6890 7.8877 7.8877 9.0977 9.0977 9.6145 9.6145 10.0793 10.0793 k =-0.5000 0.2100 0.5368 ( 3896 PWs) bands (ev): -21.2002 -21.2002 -19.2409 -19.2409 -9.1188 -9.1188 -7.4739 -7.4739 -5.7031 -5.7031 -4.2121 -4.2121 -2.2180 -2.2180 -1.0667 -1.0667 1.7719 1.7719 1.9010 1.9010 6.2709 6.2709 6.3498 6.3498 6.6408 6.6408 7.7395 7.7395 7.9059 7.9059 9.0995 9.0995 9.5938 9.5938 10.0548 10.0548 k =-0.5000 0.2100 0.5169 ( 3890 PWs) bands (ev): -21.2578 -21.2578 -19.1590 -19.1590 -9.1633 -9.1633 -7.4047 -7.4047 -5.7481 -5.7481 -4.1544 -4.1544 -2.3344 -2.3344 -1.0838 -1.0838 1.7435 1.7435 1.8902 1.8902 6.3176 6.3176 6.4216 6.4216 6.6400 6.6400 7.7871 7.7871 7.9335 7.9335 9.0984 9.0984 9.5773 9.5773 10.0382 10.0382 k =-0.5000 0.2100 0.4970 ( 3892 PWs) bands (ev): -21.3134 -21.3134 -19.0779 -19.0779 -9.2058 -9.2058 -7.3366 -7.3366 -5.7911 -5.7911 -4.0978 -4.0978 -2.4528 -2.4528 -1.1024 -1.1024 1.7133 1.7133 1.8792 1.8792 6.3647 6.3647 6.4959 6.4959 6.6436 6.6436 7.8321 7.8321 7.9688 7.9688 9.0954 9.0954 9.5653 9.5653 10.0301 10.0301 k =-0.5000 0.2100 0.4772 ( 3890 PWs) bands (ev): -21.3671 -21.3671 -18.9976 -18.9976 -9.2464 -9.2464 -7.2697 -7.2697 -5.8322 -5.8322 -4.0425 -4.0425 -2.5726 -2.5726 -1.1221 -1.1221 1.6817 1.6817 1.8682 1.8682 6.4121 6.4121 6.5720 6.5720 6.6519 6.6519 7.8748 7.8748 8.0103 8.0103 9.0918 9.0918 9.5585 9.5585 10.0307 10.0307 k =-0.5000 0.2100 0.4573 ( 3894 PWs) bands (ev): -21.4189 -21.4189 -18.9184 -18.9184 -9.2849 -9.2849 -7.2045 -7.2045 -5.8710 -5.8710 -3.9886 -3.9886 -2.6929 -2.6929 -1.1429 -1.1429 1.6489 1.6489 1.8570 1.8570 6.4596 6.4596 6.6485 6.6485 6.6655 6.6655 7.9149 7.9149 8.0571 8.0571 9.0885 9.0885 9.5575 9.5575 10.0406 10.0406 k =-0.5000 0.2100 0.4374 ( 3892 PWs) bands (ev): -21.4687 -21.4687 -18.8405 -18.8405 -9.3213 -9.3213 -7.1413 -7.1413 -5.9073 -5.9073 -3.9365 -3.9365 -2.8128 -2.8128 -1.1643 -1.1643 1.6153 1.6153 1.8457 1.8457 6.5071 6.5071 6.6816 6.6816 6.7276 6.7276 7.9512 7.9512 8.1092 8.1092 9.0863 9.0863 9.5627 9.5627 10.0596 10.0596 k =-0.5000 0.2100 0.4175 ( 3896 PWs) bands (ev): -21.5165 -21.5165 -18.7640 -18.7640 -9.3557 -9.3557 -7.0804 -7.0804 -5.9409 -5.9409 -3.8868 -3.8868 -2.9315 -2.9315 -1.1862 -1.1862 1.5810 1.5810 1.8343 1.8343 6.5545 6.5545 6.7040 6.7040 6.8049 6.8049 7.9826 7.9826 8.1665 8.1665 9.0861 9.0861 9.5748 9.5748 10.0879 10.0879 k =-0.5000 0.2100 0.3976 ( 3904 PWs) bands (ev): -21.5622 -21.5622 -18.6891 -18.6891 -9.3881 -9.3881 -7.0223 -7.0223 -5.9714 -5.9714 -3.8400 -3.8400 -3.0477 -3.0477 -1.2085 -1.2085 1.5464 1.5464 1.8227 1.8227 6.6016 6.6016 6.7310 6.7310 6.8812 6.8812 8.0086 8.0086 8.2288 8.2288 9.0886 9.0886 9.5943 9.5943 10.1251 10.1251 k =-0.5000 0.2100 0.3777 ( 3908 PWs) bands (ev): -21.6059 -21.6059 -18.6161 -18.6161 -9.4184 -9.4184 -6.9675 -6.9675 -5.9986 -5.9986 -3.7977 -3.7977 -3.1596 -3.1596 -1.2308 -1.2308 1.5117 1.5117 1.8111 1.8111 6.6482 6.6482 6.7627 6.7627 6.9557 6.9557 8.0290 8.0290 8.2957 8.2957 9.0944 9.0944 9.6217 9.6217 10.1709 10.1709 k =-0.5000 0.2100 0.3579 ( 3916 PWs) bands (ev): -21.6474 -21.6474 -18.5451 -18.5451 -9.4467 -9.4467 -6.9165 -6.9165 -6.0219 -6.0219 -3.7623 -3.7623 -3.2641 -3.2641 -1.2531 -1.2531 1.4771 1.4771 1.7994 1.7994 6.6940 6.6940 6.7992 6.7992 7.0276 7.0276 8.0443 8.0443 8.3662 8.3662 9.1041 9.1041 9.6573 9.6573 10.2246 10.2246 k =-0.5000 0.2100 0.3380 ( 3912 PWs) bands (ev): -21.6869 -21.6869 -18.4764 -18.4764 -9.4730 -9.4730 -6.8699 -6.8699 -6.0409 -6.0409 -3.7397 -3.7397 -3.3551 -3.3551 -1.2752 -1.2752 1.4430 1.4430 1.7877 1.7877 6.7386 6.7386 6.8404 6.8404 7.0963 7.0963 8.0549 8.0549 8.4397 8.4397 9.1181 9.1181 9.7013 9.7013 10.2855 10.2855 k =-0.5000 0.2100 0.3181 ( 3912 PWs) bands (ev): -21.7242 -21.7242 -18.4101 -18.4101 -9.4972 -9.4972 -6.8284 -6.8284 -6.0551 -6.0551 -3.7409 -3.7409 -3.4210 -3.4210 -1.2970 -1.2970 1.4095 1.4095 1.7762 1.7762 6.7819 6.7819 6.8864 6.8864 7.1611 7.1611 8.0616 8.0616 8.5155 8.5155 9.1366 9.1366 9.7539 9.7539 10.3524 10.3524 k =-0.5000 0.2100 0.2982 ( 3912 PWs) bands (ev): -21.7593 -21.7593 -18.3465 -18.3465 -9.5195 -9.5195 -6.7924 -6.7924 -6.0641 -6.0641 -3.7772 -3.7772 -3.4503 -3.4503 -1.3182 -1.3182 1.3768 1.3768 1.7648 1.7648 6.8233 6.8233 6.9370 6.9370 7.2214 7.2214 8.0649 8.0649 8.5933 8.5933 9.1598 9.1598 9.8147 9.8147 10.3966 10.3966 k =-0.5000 0.2100 0.2783 ( 3912 PWs) bands (ev): -21.7923 -21.7923 -18.2858 -18.2858 -9.5399 -9.5399 -6.7623 -6.7623 -6.0677 -6.0677 -3.8432 -3.8432 -3.4478 -3.4478 -1.3389 -1.3389 1.3451 1.3451 1.7536 1.7536 6.8626 6.8626 6.9923 6.9923 7.2768 7.2768 8.0654 8.0654 8.6726 8.6726 9.1877 9.1877 9.8835 9.8835 10.3097 10.3097 k =-0.5000 0.2100 0.2585 ( 3904 PWs) bands (ev): -21.8230 -21.8230 -18.2281 -18.2281 -9.5584 -9.5584 -6.7384 -6.7384 -6.0657 -6.0657 -3.9237 -3.9237 -3.4287 -3.4287 -1.3588 -1.3588 1.3146 1.3146 1.7428 1.7428 6.8996 6.8996 7.0521 7.0521 7.3269 7.3269 8.0638 8.0638 8.7532 8.7532 9.2198 9.2198 9.9592 9.9592 10.2251 10.2251 k =-0.5000 0.2100 0.2386 ( 3892 PWs) bands (ev): -21.8516 -21.8516 -18.1738 -18.1738 -9.5752 -9.5752 -6.7205 -6.7205 -6.0585 -6.0585 -4.0083 -4.0083 -3.4027 -3.4027 -1.3778 -1.3778 1.2856 1.2856 1.7324 1.7324 6.9338 6.9338 7.1161 7.1161 7.3718 7.3718 8.0605 8.0605 8.8350 8.8350 9.2555 9.2555 10.0401 10.0401 10.1471 10.1471 k =-0.5000 0.2100 0.2187 ( 3900 PWs) bands (ev): -21.8779 -21.8779 -18.1229 -18.1229 -9.5901 -9.5901 -6.7080 -6.7080 -6.0467 -6.0467 -4.0922 -4.0922 -3.3744 -3.3744 -1.3959 -1.3959 1.2582 1.2582 1.7226 1.7226 6.9653 6.9653 7.1843 7.1843 7.4113 7.4113 8.0560 8.0560 8.9176 8.9176 9.2940 9.2940 10.0658 10.0658 10.1353 10.1353 k =-0.5000 0.2100 0.1988 ( 3908 PWs) bands (ev): -21.9019 -21.9019 -18.0757 -18.0757 -9.6035 -9.6035 -6.7003 -6.7003 -6.0312 -6.0312 -4.1728 -4.1728 -3.3462 -3.3462 -1.4130 -1.4130 1.2326 1.2326 1.7132 1.7132 6.9938 6.9938 7.2563 7.2563 7.4457 7.4457 8.0508 8.0508 9.0007 9.0007 9.3339 9.3339 10.0005 10.0005 10.0640 10.0640 k =-0.5000 0.2100 0.1789 ( 3904 PWs) bands (ev): -21.9237 -21.9237 -18.0324 -18.0324 -9.6152 -9.6152 -6.6965 -6.6965 -6.0130 -6.0130 -4.2488 -4.2488 -3.3190 -3.3190 -1.4288 -1.4288 1.2088 1.2088 1.7046 1.7046 7.0192 7.0192 7.3317 7.3317 7.4752 7.4752 8.0451 8.0451 9.0836 9.0836 9.3735 9.3735 9.8986 9.8986 9.9512 9.9512 k =-0.5000 0.2100 0.1591 ( 3900 PWs) bands (ev): -21.9433 -21.9433 -17.9932 -17.9932 -9.6254 -9.6254 -6.6956 -6.6956 -5.9932 -5.9932 -4.3192 -4.3192 -3.2936 -3.2936 -1.4434 -1.4434 1.1872 1.1872 1.6966 1.6966 7.0417 7.0417 7.4100 7.4100 7.5002 7.5002 8.0393 8.0393 9.1656 9.1656 9.4108 9.4108 9.7502 9.7502 9.8989 9.8989 k =-0.5000 0.2100 0.1392 ( 3896 PWs) bands (ev): -21.9605 -21.9605 -17.9581 -17.9581 -9.6341 -9.6341 -6.6967 -6.6967 -5.9728 -5.9728 -4.3832 -4.3832 -3.2704 -3.2704 -1.4565 -1.4565 1.1677 1.1677 1.6895 1.6895 7.0612 7.0612 7.4901 7.4901 7.5211 7.5211 8.0337 8.0337 9.2452 9.2452 9.4435 9.4435 9.6059 9.6059 9.8593 9.8593 k =-0.5000 0.2100 0.1193 ( 3896 PWs) bands (ev): -21.9755 -21.9755 -17.9274 -17.9274 -9.6416 -9.6416 -6.6990 -6.6990 -5.9530 -5.9530 -4.4402 -4.4402 -3.2498 -3.2498 -1.4681 -1.4681 1.1506 1.1506 1.6832 1.6832 7.0778 7.0778 7.5378 7.5378 7.5717 7.5717 8.0283 8.0283 9.3197 9.3197 9.4662 9.4662 9.4732 9.4732 9.8315 9.8315 k =-0.5000 0.2100 0.0994 ( 3892 PWs) bands (ev): -21.9882 -21.9882 -17.9012 -17.9012 -9.6477 -9.6477 -6.7021 -6.7021 -5.9345 -5.9345 -4.4896 -4.4896 -3.2320 -3.2320 -1.4782 -1.4782 1.1359 1.1359 1.6777 1.6777 7.0916 7.0916 7.5516 7.5516 7.6519 7.6519 8.0236 8.0236 9.3301 9.3301 9.4024 9.4024 9.4863 9.4863 9.8156 9.8156 k =-0.5000 0.2100 0.0795 ( 3892 PWs) bands (ev): -21.9986 -21.9986 -17.8796 -17.8796 -9.6526 -9.6526 -6.7052 -6.7052 -5.9182 -5.9182 -4.5308 -4.5308 -3.2171 -3.2171 -1.4865 -1.4865 1.1238 1.1238 1.6732 1.6732 7.1027 7.1027 7.5623 7.5623 7.7290 7.7290 8.0195 8.0195 9.2195 9.2195 9.4599 9.4599 9.4949 9.4949 9.8101 9.8101 k =-0.5000 0.2100 0.0596 ( 3882 PWs) bands (ev): -22.0067 -22.0067 -17.8627 -17.8627 -9.6563 -9.6563 -6.7080 -6.7080 -5.9047 -5.9047 -4.5635 -4.5635 -3.2054 -3.2054 -1.4931 -1.4931 1.1142 1.1142 1.6697 1.6697 7.1112 7.1112 7.5703 7.5703 7.7990 7.7990 8.0162 8.0162 9.1196 9.1196 9.4963 9.4963 9.5132 9.5132 9.8115 9.8115 k =-0.5000 0.2100 0.0398 ( 3882 PWs) bands (ev): -22.0124 -22.0124 -17.8505 -17.8505 -9.6590 -9.6590 -6.7102 -6.7102 -5.8947 -5.8947 -4.5872 -4.5872 -3.1970 -3.1970 -1.4978 -1.4978 1.1074 1.1074 1.6672 1.6672 7.1172 7.1172 7.5758 7.5758 7.8567 7.8567 8.0137 8.0137 9.0401 9.0401 9.4957 9.4957 9.5531 9.5531 9.8160 9.8160 k =-0.5000 0.2100 0.0199 ( 3884 PWs) bands (ev): -22.0159 -22.0159 -17.8432 -17.8432 -9.6606 -9.6606 -6.7116 -6.7116 -5.8885 -5.8885 -4.6016 -4.6016 -3.1919 -3.1919 -1.5007 -1.5007 1.1033 1.1033 1.6656 1.6656 7.1208 7.1208 7.5791 7.5791 7.8956 7.8956 8.0122 8.0122 8.9881 8.9881 9.4941 9.4941 9.5783 9.5783 9.8200 9.8200 k =-0.5000 0.2100-0.0000 ( 3894 PWs) bands (ev): -22.0171 -22.0171 -17.8408 -17.8408 -9.6611 -9.6611 -6.7121 -6.7121 -5.8864 -5.8864 -4.6064 -4.6064 -3.1902 -3.1902 -1.5017 -1.5017 1.1019 1.1019 1.6651 1.6651 7.1220 7.1220 7.5801 7.5801 7.9095 7.9095 8.0117 8.0117 8.9699 8.9699 9.4934 9.4934 9.5870 9.5870 9.8216 9.8216 k = 0.0000 0.0000 0.7953 ( 3904 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3622 -8.3622 -8.3622 -8.3622 -4.9939 -4.9939 -4.9939 -4.9939 -1.2831 -1.2831 -1.2831 -1.2831 1.9476 1.9476 1.9476 1.9476 6.6951 6.6951 6.6951 6.6951 6.7204 6.7204 6.7204 6.7204 7.9533 7.9533 7.9533 7.9533 9.2622 9.2622 9.2622 9.2622 k =-0.0185 0.0078 0.7953 ( 3896 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3623 -8.3623 -8.3623 -8.3623 -4.9939 -4.9939 -4.9939 -4.9939 -1.2826 -1.2826 -1.2826 -1.2826 1.9477 1.9477 1.9477 1.9477 6.6945 6.6945 6.6945 6.6945 6.7171 6.7171 6.7171 6.7171 7.9595 7.9595 7.9595 7.9595 9.2601 9.2601 9.2601 9.2601 k =-0.0370 0.0156 0.7953 ( 3904 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3625 -8.3625 -8.3625 -8.3625 -4.9940 -4.9940 -4.9940 -4.9940 -1.2813 -1.2813 -1.2813 -1.2813 1.9479 1.9479 1.9479 1.9479 6.6885 6.6885 6.6885 6.6885 6.7114 6.7114 6.7114 6.7114 7.9776 7.9776 7.9776 7.9776 9.2538 9.2538 9.2538 9.2538 k =-0.0556 0.0233 0.7953 ( 3912 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3628 -8.3628 -8.3628 -8.3628 -4.9940 -4.9940 -4.9940 -4.9940 -1.2791 -1.2791 -1.2791 -1.2791 1.9482 1.9482 1.9482 1.9482 6.6697 6.6697 6.6697 6.6697 6.7117 6.7117 6.7117 6.7117 8.0067 8.0067 8.0067 8.0067 9.2437 9.2437 9.2437 9.2437 k =-0.0741 0.0311 0.7953 ( 3916 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3632 -8.3632 -8.3632 -8.3632 -4.9942 -4.9942 -4.9942 -4.9942 -1.2760 -1.2760 -1.2760 -1.2760 1.9486 1.9486 1.9486 1.9486 6.6407 6.6407 6.6407 6.6407 6.7166 6.7166 6.7166 6.7166 8.0454 8.0454 8.0454 8.0454 9.2303 9.2303 9.2303 9.2303 k =-0.0926 0.0389 0.7953 ( 3912 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3638 -8.3638 -8.3638 -8.3638 -4.9943 -4.9943 -4.9943 -4.9943 -1.2722 -1.2722 -1.2722 -1.2722 1.9491 1.9491 1.9491 1.9491 6.6050 6.6050 6.6050 6.6050 6.7240 6.7240 6.7240 6.7240 8.0920 8.0920 8.0920 8.0920 9.2145 9.2145 9.2145 9.2145 k =-0.1111 0.0467 0.7953 ( 3904 PWs) bands (ev): -20.3036 -20.3036 -20.3036 -20.3036 -8.3645 -8.3645 -8.3645 -8.3645 -4.9945 -4.9945 -4.9945 -4.9945 -1.2675 -1.2675 -1.2675 -1.2675 1.9497 1.9497 1.9497 1.9497 6.5643 6.5643 6.5643 6.5643 6.7333 6.7333 6.7333 6.7333 8.1447 8.1447 8.1447 8.1447 9.1973 9.1973 9.1973 9.1973 k =-0.1296 0.0544 0.7953 ( 3906 PWs) bands (ev): -20.3035 -20.3035 -20.3035 -20.3035 -8.3653 -8.3653 -8.3653 -8.3653 -4.9947 -4.9947 -4.9947 -4.9947 -1.2622 -1.2622 -1.2622 -1.2622 1.9504 1.9504 1.9504 1.9504 6.5201 6.5201 6.5201 6.5201 6.7442 6.7442 6.7442 6.7442 8.2017 8.2017 8.2017 8.2017 9.1799 9.1799 9.1799 9.1799 k =-0.1481 0.0622 0.7953 ( 3910 PWs) bands (ev): -20.3035 -20.3035 -20.3035 -20.3035 -8.3662 -8.3662 -8.3662 -8.3662 -4.9949 -4.9949 -4.9949 -4.9949 -1.2563 -1.2563 -1.2563 -1.2563 1.9513 1.9513 1.9513 1.9513 6.4736 6.4736 6.4736 6.4736 6.7566 6.7566 6.7566 6.7566 8.2609 8.2609 8.2609 8.2609 9.1639 9.1639 9.1639 9.1639 k =-0.1667 0.0700 0.7953 ( 3908 PWs) bands (ev): -20.3035 -20.3035 -20.3035 -20.3035 -8.3672 -8.3672 -8.3672 -8.3672 -4.9951 -4.9951 -4.9951 -4.9951 -1.2498 -1.2498 -1.2498 -1.2498 1.9522 1.9522 1.9522 1.9522 6.4256 6.4256 6.4256 6.4256 6.7703 6.7703 6.7703 6.7703 8.3202 8.3202 8.3202 8.3202 9.1513 9.1513 9.1513 9.1513 k =-0.1852 0.0778 0.7953 ( 3906 PWs) bands (ev): -20.3035 -20.3035 -20.3035 -20.3035 -8.3682 -8.3682 -8.3682 -8.3682 -4.9954 -4.9954 -4.9954 -4.9954 -1.2428 -1.2428 -1.2428 -1.2428 1.9533 1.9533 1.9533 1.9533 6.3769 6.3769 6.3769 6.3769 6.7852 6.7852 6.7852 6.7852 8.3771 8.3771 8.3771 8.3771 9.1444 9.1444 9.1444 9.1444 k =-0.2037 0.0856 0.7953 ( 3906 PWs) bands (ev): -20.3035 -20.3035 -20.3035 -20.3035 -8.3693 -8.3693 -8.3693 -8.3693 -4.9957 -4.9957 -4.9957 -4.9957 -1.2355 -1.2355 -1.2355 -1.2355 1.9544 1.9544 1.9544 1.9544 6.3283 6.3283 6.3283 6.3283 6.8011 6.8011 6.8011 6.8011 8.4286 8.4286 8.4286 8.4286 9.1460 9.1460 9.1460 9.1460 k =-0.2222 0.0933 0.7953 ( 3902 PWs) bands (ev): -20.3034 -20.3034 -20.3034 -20.3034 -8.3704 -8.3704 -8.3704 -8.3704 -4.9960 -4.9960 -4.9960 -4.9960 -1.2279 -1.2279 -1.2279 -1.2279 1.9556 1.9556 1.9556 1.9556 6.2802 6.2802 6.2802 6.2802 6.8179 6.8179 6.8179 6.8179 8.4720 8.4720 8.4720 8.4720 9.1590 9.1590 9.1590 9.1590 k =-0.2407 0.1011 0.7953 ( 3906 PWs) bands (ev): -20.3034 -20.3034 -20.3034 -20.3034 -8.3716 -8.3716 -8.3716 -8.3716 -4.9962 -4.9962 -4.9962 -4.9962 -1.2201 -1.2201 -1.2201 -1.2201 1.9569 1.9569 1.9569 1.9569 6.2332 6.2332 6.2332 6.2332 6.8352 6.8352 6.8352 6.8352 8.5050 8.5050 8.5050 8.5050 9.1857 9.1857 9.1857 9.1857 k =-0.2593 0.1089 0.7953 ( 3902 PWs) bands (ev): -20.3034 -20.3034 -20.3034 -20.3034 -8.3728 -8.3728 -8.3728 -8.3728 -4.9965 -4.9965 -4.9965 -4.9965 -1.2122 -1.2122 -1.2122 -1.2122 1.9582 1.9582 1.9582 1.9582 6.1876 6.1876 6.1876 6.1876 6.8530 6.8530 6.8530 6.8530 8.5265 8.5265 8.5265 8.5265 9.2268 9.2268 9.2268 9.2268 k =-0.2778 0.1167 0.7953 ( 3906 PWs) bands (ev): -20.3034 -20.3034 -20.3034 -20.3034 -8.3739 -8.3739 -8.3739 -8.3739 -4.9968 -4.9968 -4.9968 -4.9968 -1.2044 -1.2044 -1.2044 -1.2044 1.9595 1.9595 1.9595 1.9595 6.1440 6.1440 6.1440 6.1440 6.8710 6.8710 6.8710 6.8710 8.5374 8.5374 8.5374 8.5374 9.2814 9.2814 9.2814 9.2814 k =-0.2963 0.1245 0.7953 ( 3902 PWs) bands (ev): -20.3033 -20.3033 -20.3033 -20.3033 -8.3750 -8.3750 -8.3750 -8.3750 -4.9971 -4.9971 -4.9971 -4.9971 -1.1967 -1.1967 -1.1967 -1.1967 1.9609 1.9609 1.9609 1.9609 6.1025 6.1025 6.1025 6.1025 6.8890 6.8890 6.8890 6.8890 8.5396 8.5396 8.5396 8.5396 9.3473 9.3473 9.3473 9.3473 k =-0.3148 0.1322 0.7953 ( 3890 PWs) bands (ev): -20.3033 -20.3033 -20.3033 -20.3033 -8.3761 -8.3761 -8.3761 -8.3761 -4.9974 -4.9974 -4.9974 -4.9974 -1.1893 -1.1893 -1.1893 -1.1893 1.9623 1.9623 1.9623 1.9623 6.0635 6.0635 6.0635 6.0635 6.9066 6.9066 6.9066 6.9066 8.5357 8.5357 8.5357 8.5357 9.4218 9.4218 9.4218 9.4218 k =-0.3333 0.1400 0.7953 ( 3894 PWs) bands (ev): -20.3033 -20.3033 -20.3033 -20.3033 -8.3771 -8.3771 -8.3771 -8.3771 -4.9976 -4.9976 -4.9976 -4.9976 -1.1822 -1.1822 -1.1822 -1.1822 1.9636 1.9636 1.9636 1.9636 6.0274 6.0274 6.0274 6.0274 6.9236 6.9236 6.9236 6.9236 8.5276 8.5276 8.5276 8.5276 9.5019 9.5019 9.5019 9.5019 k =-0.3519 0.1478 0.7953 ( 3898 PWs) bands (ev): -20.3033 -20.3033 -20.3033 -20.3033 -8.3781 -8.3781 -8.3781 -8.3781 -4.9979 -4.9979 -4.9979 -4.9979 -1.1755 -1.1755 -1.1755 -1.1755 1.9649 1.9649 1.9649 1.9649 5.9943 5.9943 5.9943 5.9943 6.9398 6.9398 6.9398 6.9398 8.5174 8.5174 8.5174 8.5174 9.5852 9.5852 9.5852 9.5852 k =-0.3704 0.1556 0.7953 ( 3902 PWs) bands (ev): -20.3033 -20.3033 -20.3033 -20.3033 -8.3790 -8.3790 -8.3790 -8.3790 -4.9981 -4.9981 -4.9981 -4.9981 -1.1694 -1.1694 -1.1694 -1.1694 1.9661 1.9661 1.9661 1.9661 5.9645 5.9645 5.9645 5.9645 6.9549 6.9549 6.9549 6.9549 8.5062 8.5062 8.5062 8.5062 9.6693 9.6693 9.6693 9.6693 k =-0.3889 0.1633 0.7953 ( 3906 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3798 -8.3798 -8.3798 -8.3798 -4.9983 -4.9983 -4.9983 -4.9983 -1.1639 -1.1639 -1.1639 -1.1639 1.9672 1.9672 1.9672 1.9672 5.9383 5.9383 5.9383 5.9383 6.9687 6.9687 6.9687 6.9687 8.4950 8.4950 8.4950 8.4950 9.7515 9.7515 9.7515 9.7515 k =-0.4074 0.1711 0.7953 ( 3914 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3805 -8.3805 -8.3805 -8.3805 -4.9985 -4.9985 -4.9985 -4.9985 -1.1592 -1.1592 -1.1592 -1.1592 1.9682 1.9682 1.9682 1.9682 5.9157 5.9157 5.9157 5.9157 6.9808 6.9808 6.9808 6.9808 8.4847 8.4847 8.4847 8.4847 9.8295 9.8295 9.8295 9.8295 k =-0.4259 0.1789 0.7953 ( 3916 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3811 -8.3811 -8.3811 -8.3811 -4.9986 -4.9986 -4.9986 -4.9986 -1.1552 -1.1552 -1.1552 -1.1552 1.9690 1.9690 1.9690 1.9690 5.8971 5.8971 5.8971 5.8971 6.9910 6.9910 6.9910 6.9910 8.4757 8.4757 8.4757 8.4757 9.9002 9.9002 9.9002 9.9002 k =-0.4444 0.1867 0.7953 ( 3908 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3815 -8.3815 -8.3815 -8.3815 -4.9987 -4.9987 -4.9987 -4.9987 -1.1520 -1.1520 -1.1520 -1.1520 1.9697 1.9697 1.9697 1.9697 5.8824 5.8824 5.8824 5.8824 6.9992 6.9992 6.9992 6.9992 8.4683 8.4683 8.4683 8.4683 9.9605 9.9605 9.9605 9.9605 k =-0.4630 0.1945 0.7953 ( 3904 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3818 -8.3818 -8.3818 -8.3818 -4.9988 -4.9988 -4.9988 -4.9988 -1.1497 -1.1497 -1.1497 -1.1497 1.9702 1.9702 1.9702 1.9702 5.8718 5.8718 5.8718 5.8718 7.0052 7.0052 7.0052 7.0052 8.4629 8.4629 8.4629 8.4629 10.0069 10.0069 10.0069 10.0069 k =-0.4815 0.2022 0.7953 ( 3916 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3820 -8.3820 -8.3820 -8.3820 -4.9988 -4.9988 -4.9988 -4.9988 -1.1483 -1.1483 -1.1483 -1.1483 1.9705 1.9705 1.9705 1.9705 5.8655 5.8655 5.8655 5.8655 7.0088 7.0088 7.0088 7.0088 8.4596 8.4596 8.4596 8.4596 10.0363 10.0363 10.0363 10.0363 k =-0.5000 0.2100 0.7953 ( 3896 PWs) bands (ev): -20.3032 -20.3032 -20.3032 -20.3032 -8.3821 -8.3821 -8.3821 -8.3821 -4.9989 -4.9989 -4.9989 -4.9989 -1.1478 -1.1478 -1.1478 -1.1478 1.9706 1.9706 1.9706 1.9706 5.8633 5.8633 5.8633 5.8633 7.0101 7.0101 7.0101 7.0101 8.4585 8.4585 8.4585 8.4585 10.0464 10.0464 10.0464 10.0464 Writing output data file BaSi.save init_run : 3.12s CPU 13.16s WALL ( 1 calls) electrons : 418.04s CPU 424.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.30s WALL ( 1 calls) Called by electrons: c_bands : 417.99s CPU 423.94s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.73s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.13s CPU 0.42s WALL ( 1 calls) newd : 0.25s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 386 calls) cegterg : 375.90s CPU 378.72s WALL ( 784 calls) Called by sum_band: Called by *egterg: h_psi : 211.89s CPU 218.67s WALL ( 12659 calls) s_psi : 16.88s CPU 17.51s WALL ( 12659 calls) g_psi : 0.51s CPU 0.60s WALL ( 11489 calls) cdiaghg : 96.88s CPU 94.84s WALL ( 11875 calls) cegterg:over : 31.55s CPU 28.15s WALL ( 11489 calls) cegterg:upda : 5.28s CPU 8.38s WALL ( 11489 calls) cegterg:last : 5.43s CPU 6.40s WALL ( 2340 calls) Called by h_psi: h_psi:vloc : 179.34s CPU 185.08s WALL ( 12659 calls) h_psi:vnl : 32.36s CPU 32.88s WALL ( 12659 calls) add_vuspsi : 9.17s CPU 13.02s WALL ( 12659 calls) General routines calbec : 23.16s CPU 19.75s WALL ( 12659 calls) fft : 0.31s CPU 1.20s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 171.24s CPU 176.10s WALL ( 1027040 calls) interpolate : 0.11s CPU 0.11s WALL ( 4 calls) davcio : 0.05s CPU 2.18s WALL ( 772 calls) Parallel routines fft_scatter : 99.34s CPU 101.66s WALL ( 1027063 calls) PWSCF : 7m49.27s CPU 9m51.67s WALL This run was terminated on: 6:13:29 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=