Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:20: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./InI.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 39 11 1504 981 155 Max 53 40 12 1506 996 158 Sum 1873 1415 411 54183 35563 5627 bravais-lattice index = 14 lattice parameter (alat) = 12.8647 a.u. unit-cell volume = 1004.1354 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.864722 celldm(2)= 1.000000 celldm(3)= 0.721240 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.756581 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.756581 0.653900 0.000000 ) a(3) = ( 0.000000 0.000000 0.721240 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.157029 -0.000000 ) b(2) = ( 0.000000 1.529286 -0.000000 ) b(3) = ( 0.000000 0.000000 1.386501 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0074906 0.0201222 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0149812 0.0402444 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0224719 0.0603666 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0299625 0.0804888 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0374531 0.1006110 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0449438 0.1207331 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0524344 0.1408553 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0599250 0.1609775 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0674156 0.1810997 -0.0000000), wk = 0.0028409 k( 11) = ( 0.0749063 0.2012219 -0.0000000), wk = 0.0028409 k( 12) = ( 0.0823969 0.2213441 -0.0000000), wk = 0.0028409 k( 13) = ( 0.0898875 0.2414663 -0.0000000), wk = 0.0028409 k( 14) = ( 0.0973781 0.2615885 -0.0000000), wk = 0.0028409 k( 15) = ( 0.1048688 0.2817107 -0.0000000), wk = 0.0028409 k( 16) = ( 0.1123594 0.3018329 -0.0000000), wk = 0.0028409 k( 17) = ( 0.1198500 0.3219550 -0.0000000), wk = 0.0028409 k( 18) = ( 0.1273407 0.3420772 -0.0000000), wk = 0.0028409 k( 19) = ( 0.1348313 0.3621994 -0.0000000), wk = 0.0028409 k( 20) = ( 0.1423219 0.3823216 -0.0000000), wk = 0.0028409 k( 21) = ( 0.1498125 0.4024438 -0.0000000), wk = 0.0028409 k( 22) = ( 0.1573032 0.4225660 -0.0000000), wk = 0.0028409 k( 23) = ( 0.1647938 0.4426882 -0.0000000), wk = 0.0028409 k( 24) = ( 0.1722844 0.4628104 -0.0000000), wk = 0.0028409 k( 25) = ( 0.1797750 0.4829326 -0.0000000), wk = 0.0028409 k( 26) = ( 0.1872657 0.5030548 -0.0000000), wk = 0.0028409 k( 27) = ( 0.1947563 0.5231769 -0.0000000), wk = 0.0028409 k( 28) = ( 0.2022469 0.5432991 -0.0000000), wk = 0.0028409 k( 29) = ( 0.2097376 0.5634213 -0.0000000), wk = 0.0028409 k( 30) = ( 0.2172282 0.5835435 -0.0000000), wk = 0.0028409 k( 31) = ( 0.2247188 0.6036657 -0.0000000), wk = 0.0028409 k( 32) = ( 0.2322094 0.6237879 -0.0000000), wk = 0.0028409 k( 33) = ( 0.2397001 0.6439101 -0.0000000), wk = 0.0028409 k( 34) = ( 0.2471907 0.6640323 -0.0000000), wk = 0.0028409 k( 35) = ( 0.2546813 0.6841545 -0.0000000), wk = 0.0028409 k( 36) = ( 0.2621719 0.7042766 -0.0000000), wk = 0.0028409 k( 37) = ( 0.2696626 0.7243988 -0.0000000), wk = 0.0028409 k( 38) = ( 0.2771532 0.7445210 -0.0000000), wk = 0.0028409 k( 39) = ( 0.2846438 0.7646432 -0.0000000), wk = 0.0028409 k( 40) = ( 0.2846438 0.7646432 -0.0000000), wk = 0.0028409 k( 41) = ( 0.2643121 0.7646432 -0.0000000), wk = 0.0028409 k( 42) = ( 0.2439804 0.7646432 -0.0000000), wk = 0.0028409 k( 43) = ( 0.2236487 0.7646432 -0.0000000), wk = 0.0028409 k( 44) = ( 0.2033170 0.7646432 -0.0000000), wk = 0.0028409 k( 45) = ( 0.1829853 0.7646432 -0.0000000), wk = 0.0028409 k( 46) = ( 0.1626536 0.7646432 -0.0000000), wk = 0.0028409 k( 47) = ( 0.1423219 0.7646432 -0.0000000), wk = 0.0028409 k( 48) = ( 0.1219902 0.7646432 -0.0000000), wk = 0.0028409 k( 49) = ( 0.1016585 0.7646432 -0.0000000), wk = 0.0028409 k( 50) = ( 0.0813268 0.7646432 -0.0000000), wk = 0.0028409 k( 51) = ( 0.0609951 0.7646432 -0.0000000), wk = 0.0028409 k( 52) = ( 0.0406634 0.7646432 -0.0000000), wk = 0.0028409 k( 53) = ( 0.0203317 0.7646432 -0.0000000), wk = 0.0028409 k( 54) = ( 0.0000000 0.7646432 -0.0000000), wk = 0.0028409 k( 55) = ( 0.0000000 0.7646432 -0.0000000), wk = 0.0028409 k( 56) = ( 0.0000000 0.7646432 0.0216641), wk = 0.0028409 k( 57) = ( 0.0000000 0.7646432 0.0433281), wk = 0.0028409 k( 58) = ( 0.0000000 0.7646432 0.0649922), wk = 0.0028409 k( 59) = ( 0.0000000 0.7646432 0.0866563), wk = 0.0028409 k( 60) = ( 0.0000000 0.7646432 0.1083204), wk = 0.0028409 k( 61) = ( 0.0000000 0.7646432 0.1299844), wk = 0.0028409 k( 62) = ( 0.0000000 0.7646432 0.1516485), wk = 0.0028409 k( 63) = ( 0.0000000 0.7646432 0.1733126), wk = 0.0028409 k( 64) = ( 0.0000000 0.7646432 0.1949766), wk = 0.0028409 k( 65) = ( 0.0000000 0.7646432 0.2166407), wk = 0.0028409 k( 66) = ( 0.0000000 0.7646432 0.2383048), wk = 0.0028409 k( 67) = ( 0.0000000 0.7646432 0.2599689), wk = 0.0028409 k( 68) = ( 0.0000000 0.7646432 0.2816329), wk = 0.0028409 k( 69) = ( 0.0000000 0.7646432 0.3032970), wk = 0.0028409 k( 70) = ( 0.0000000 0.7646432 0.3249611), wk = 0.0028409 k( 71) = ( 0.0000000 0.7646432 0.3466252), wk = 0.0028409 k( 72) = ( 0.0000000 0.7646432 0.3682892), wk = 0.0028409 k( 73) = ( 0.0000000 0.7646432 0.3899533), wk = 0.0028409 k( 74) = ( 0.0000000 0.7646432 0.4116174), wk = 0.0028409 k( 75) = ( 0.0000000 0.7646432 0.4332814), wk = 0.0028409 k( 76) = ( 0.0000000 0.7646432 0.4549455), wk = 0.0028409 k( 77) = ( 0.0000000 0.7646432 0.4766096), wk = 0.0028409 k( 78) = ( 0.0000000 0.7646432 0.4982737), wk = 0.0028409 k( 79) = ( 0.0000000 0.7646432 0.5199377), wk = 0.0028409 k( 80) = ( 0.0000000 0.7646432 0.5416018), wk = 0.0028409 k( 81) = ( 0.0000000 0.7646432 0.5632659), wk = 0.0028409 k( 82) = ( 0.0000000 0.7646432 0.5849299), wk = 0.0028409 k( 83) = ( 0.0000000 0.7646432 0.6065940), wk = 0.0028409 k( 84) = ( 0.0000000 0.7646432 0.6282581), wk = 0.0028409 k( 85) = ( 0.0000000 0.7646432 0.6499222), wk = 0.0028409 k( 86) = ( 0.0000000 0.7646432 0.6715862), wk = 0.0028409 k( 87) = ( 0.0000000 0.7646432 0.6932503), wk = 0.0028409 k( 88) = ( 0.0000000 0.7646432 0.6932503), wk = 0.0028409 k( 89) = ( 0.0203317 0.7646432 0.6932503), wk = 0.0028409 k( 90) = ( 0.0406634 0.7646432 0.6932503), wk = 0.0028409 k( 91) = ( 0.0609951 0.7646432 0.6932503), wk = 0.0028409 k( 92) = ( 0.0813268 0.7646432 0.6932503), wk = 0.0028409 k( 93) = ( 0.1016585 0.7646432 0.6932503), wk = 0.0028409 k( 94) = ( 0.1219902 0.7646432 0.6932503), wk = 0.0028409 k( 95) = ( 0.1423219 0.7646432 0.6932503), wk = 0.0028409 k( 96) = ( 0.1626536 0.7646432 0.6932503), wk = 0.0028409 k( 97) = ( 0.1829853 0.7646432 0.6932503), wk = 0.0028409 k( 98) = ( 0.2033170 0.7646432 0.6932503), wk = 0.0028409 k( 99) = ( 0.2236487 0.7646432 0.6932503), wk = 0.0028409 k( 100) = ( 0.2439804 0.7646432 0.6932503), wk = 0.0028409 k( 101) = ( 0.2643121 0.7646432 0.6932503), wk = 0.0028409 k( 102) = ( 0.2846438 0.7646432 0.6932503), wk = 0.0028409 k( 103) = ( 0.2846438 0.7646432 0.6932503), wk = 0.0028409 k( 104) = ( 0.2771532 0.7445210 0.6932503), wk = 0.0028409 k( 105) = ( 0.2696626 0.7243988 0.6932503), wk = 0.0028409 k( 106) = ( 0.2621719 0.7042766 0.6932503), wk = 0.0028409 k( 107) = ( 0.2546813 0.6841545 0.6932503), wk = 0.0028409 k( 108) = ( 0.2471907 0.6640323 0.6932503), wk = 0.0028409 k( 109) = ( 0.2397001 0.6439101 0.6932503), wk = 0.0028409 k( 110) = ( 0.2322094 0.6237879 0.6932503), wk = 0.0028409 k( 111) = ( 0.2247188 0.6036657 0.6932503), wk = 0.0028409 k( 112) = ( 0.2172282 0.5835435 0.6932503), wk = 0.0028409 k( 113) = ( 0.2097376 0.5634213 0.6932503), wk = 0.0028409 k( 114) = ( 0.2022469 0.5432991 0.6932503), wk = 0.0028409 k( 115) = ( 0.1947563 0.5231769 0.6932503), wk = 0.0028409 k( 116) = ( 0.1872657 0.5030548 0.6932503), wk = 0.0028409 k( 117) = ( 0.1797750 0.4829326 0.6932503), wk = 0.0028409 k( 118) = ( 0.1722844 0.4628104 0.6932503), wk = 0.0028409 k( 119) = ( 0.1647938 0.4426882 0.6932503), wk = 0.0028409 k( 120) = ( 0.1573032 0.4225660 0.6932503), wk = 0.0028409 k( 121) = ( 0.1498125 0.4024438 0.6932503), wk = 0.0028409 k( 122) = ( 0.1423219 0.3823216 0.6932503), wk = 0.0028409 k( 123) = ( 0.1348313 0.3621994 0.6932503), wk = 0.0028409 k( 124) = ( 0.1273407 0.3420772 0.6932503), wk = 0.0028409 k( 125) = ( 0.1198500 0.3219550 0.6932503), wk = 0.0028409 k( 126) = ( 0.1123594 0.3018329 0.6932503), wk = 0.0028409 k( 127) = ( 0.1048688 0.2817107 0.6932503), wk = 0.0028409 k( 128) = ( 0.0973781 0.2615885 0.6932503), wk = 0.0028409 k( 129) = ( 0.0898875 0.2414663 0.6932503), wk = 0.0028409 k( 130) = ( 0.0823969 0.2213441 0.6932503), wk = 0.0028409 k( 131) = ( 0.0749063 0.2012219 0.6932503), wk = 0.0028409 k( 132) = ( 0.0674156 0.1810997 0.6932503), wk = 0.0028409 k( 133) = ( 0.0599250 0.1609775 0.6932503), wk = 0.0028409 k( 134) = ( 0.0524344 0.1408553 0.6932503), wk = 0.0028409 k( 135) = ( 0.0449438 0.1207331 0.6932503), wk = 0.0028409 k( 136) = ( 0.0374531 0.1006110 0.6932503), wk = 0.0028409 k( 137) = ( 0.0299625 0.0804888 0.6932503), wk = 0.0028409 k( 138) = ( 0.0224719 0.0603666 0.6932503), wk = 0.0028409 k( 139) = ( 0.0149812 0.0402444 0.6932503), wk = 0.0028409 k( 140) = ( 0.0074906 0.0201222 0.6932503), wk = 0.0028409 k( 141) = ( 0.0000000 0.0000000 0.6932503), wk = 0.0028409 k( 142) = ( 0.0000000 0.0000000 0.6932503), wk = 0.0028409 k( 143) = ( 0.0000000 0.0000000 0.6715862), wk = 0.0028409 k( 144) = ( 0.0000000 0.0000000 0.6499222), wk = 0.0028409 k( 145) = ( 0.0000000 0.0000000 0.6282581), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.6065940), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.5849299), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.5632659), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.5416018), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.5199377), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.4982737), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.4766096), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.4549455), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.4332814), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.4116174), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.3899533), wk = 0.0028409 k( 157) = ( 0.0000000 0.0000000 0.3682892), wk = 0.0028409 k( 158) = ( 0.0000000 0.0000000 0.3466252), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.3249611), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.3032970), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.2816329), wk = 0.0028409 k( 162) = ( 0.0000000 0.0000000 0.2599689), wk = 0.0028409 k( 163) = ( 0.0000000 0.0000000 0.2383048), wk = 0.0028409 k( 164) = ( 0.0000000 0.0000000 0.2166407), wk = 0.0028409 k( 165) = ( 0.0000000 0.0000000 0.1949766), wk = 0.0028409 k( 166) = ( 0.0000000 0.0000000 0.1733126), wk = 0.0028409 k( 167) = ( 0.0000000 0.0000000 0.1516485), wk = 0.0028409 k( 168) = ( 0.0000000 0.0000000 0.1299844), wk = 0.0028409 k( 169) = ( 0.0000000 0.0000000 0.1083204), wk = 0.0028409 k( 170) = ( 0.0000000 0.0000000 0.0866563), wk = 0.0028409 k( 171) = ( 0.0000000 0.0000000 0.0649922), wk = 0.0028409 k( 172) = ( 0.0000000 0.0000000 0.0433281), wk = 0.0028409 k( 173) = ( 0.0000000 0.0000000 0.0216641), wk = 0.0028409 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 176) = ( -0.0200000 0.0074451 0.0000000), wk = 0.0028409 k( 177) = ( -0.0400000 0.0148903 0.0000000), wk = 0.0028409 k( 178) = ( -0.0600000 0.0223354 0.0000000), wk = 0.0028409 k( 179) = ( -0.0800000 0.0297806 0.0000000), wk = 0.0028409 k( 180) = ( -0.1000000 0.0372257 0.0000000), wk = 0.0028409 k( 181) = ( -0.1200000 0.0446708 0.0000000), wk = 0.0028409 k( 182) = ( -0.1400000 0.0521160 0.0000000), wk = 0.0028409 k( 183) = ( -0.1600000 0.0595611 0.0000000), wk = 0.0028409 k( 184) = ( -0.1800000 0.0670063 0.0000000), wk = 0.0028409 k( 185) = ( -0.2000000 0.0744514 0.0000000), wk = 0.0028409 k( 186) = ( -0.2200000 0.0818966 0.0000000), wk = 0.0028409 k( 187) = ( -0.2400000 0.0893417 0.0000000), wk = 0.0028409 k( 188) = ( -0.2600000 0.0967868 0.0000000), wk = 0.0028409 k( 189) = ( -0.2800000 0.1042320 0.0000000), wk = 0.0028409 k( 190) = ( -0.3000000 0.1116771 0.0000000), wk = 0.0028409 k( 191) = ( -0.3200000 0.1191223 0.0000000), wk = 0.0028409 k( 192) = ( -0.3400000 0.1265674 0.0000000), wk = 0.0028409 k( 193) = ( -0.3600000 0.1340125 0.0000000), wk = 0.0028409 k( 194) = ( -0.3800000 0.1414577 0.0000000), wk = 0.0028409 k( 195) = ( -0.4000000 0.1489028 0.0000000), wk = 0.0028409 k( 196) = ( -0.4200000 0.1563480 0.0000000), wk = 0.0028409 k( 197) = ( -0.4400000 0.1637931 0.0000000), wk = 0.0028409 k( 198) = ( -0.4600000 0.1712382 0.0000000), wk = 0.0028409 k( 199) = ( -0.4800000 0.1786834 0.0000000), wk = 0.0028409 k( 200) = ( -0.5000000 0.1861285 0.0000000), wk = 0.0028409 k( 201) = ( -0.5000000 0.1861285 0.0000000), wk = 0.0028409 k( 202) = ( -0.4925739 0.2060773 -0.0000000), wk = 0.0028409 k( 203) = ( -0.4851478 0.2260261 -0.0000000), wk = 0.0028409 k( 204) = ( -0.4777218 0.2459749 -0.0000000), wk = 0.0028409 k( 205) = ( -0.4702957 0.2659237 -0.0000000), wk = 0.0028409 k( 206) = ( -0.4628696 0.2858724 -0.0000000), wk = 0.0028409 k( 207) = ( -0.4554435 0.3058212 -0.0000000), wk = 0.0028409 k( 208) = ( -0.4480175 0.3257700 -0.0000000), wk = 0.0028409 k( 209) = ( -0.4405914 0.3457188 -0.0000000), wk = 0.0028409 k( 210) = ( -0.4331653 0.3656676 -0.0000000), wk = 0.0028409 k( 211) = ( -0.4257393 0.3856164 -0.0000000), wk = 0.0028409 k( 212) = ( -0.4183132 0.4055651 -0.0000000), wk = 0.0028409 k( 213) = ( -0.4108871 0.4255139 -0.0000000), wk = 0.0028409 k( 214) = ( -0.4034610 0.4454627 -0.0000000), wk = 0.0028409 k( 215) = ( -0.3960349 0.4654115 -0.0000000), wk = 0.0028409 k( 216) = ( -0.3886089 0.4853603 -0.0000000), wk = 0.0028409 k( 217) = ( -0.3811828 0.5053090 -0.0000000), wk = 0.0028409 k( 218) = ( -0.3737567 0.5252578 -0.0000000), wk = 0.0028409 k( 219) = ( -0.3663306 0.5452066 -0.0000000), wk = 0.0028409 k( 220) = ( -0.3589046 0.5651554 -0.0000000), wk = 0.0028409 k( 221) = ( -0.3514785 0.5851042 -0.0000000), wk = 0.0028409 k( 222) = ( -0.3440524 0.6050529 -0.0000000), wk = 0.0028409 k( 223) = ( -0.3366264 0.6250017 -0.0000000), wk = 0.0028409 k( 224) = ( -0.3292003 0.6449505 -0.0000000), wk = 0.0028409 k( 225) = ( -0.3217742 0.6648993 -0.0000000), wk = 0.0028409 k( 226) = ( -0.3143481 0.6848481 -0.0000000), wk = 0.0028409 k( 227) = ( -0.3069221 0.7047969 -0.0000000), wk = 0.0028409 k( 228) = ( -0.2994960 0.7247456 -0.0000000), wk = 0.0028409 k( 229) = ( -0.2920699 0.7446944 -0.0000000), wk = 0.0028409 k( 230) = ( -0.2846438 0.7646432 -0.0000000), wk = 0.0028409 k( 231) = ( -0.2846438 0.7646432 -0.0000000), wk = 0.0028409 k( 232) = ( -0.2846438 0.7646432 0.0216641), wk = 0.0028409 k( 233) = ( -0.2846438 0.7646432 0.0433281), wk = 0.0028409 k( 234) = ( -0.2846438 0.7646432 0.0649922), wk = 0.0028409 k( 235) = ( -0.2846438 0.7646432 0.0866563), wk = 0.0028409 k( 236) = ( -0.2846438 0.7646432 0.1083204), wk = 0.0028409 k( 237) = ( -0.2846438 0.7646432 0.1299844), wk = 0.0028409 k( 238) = ( -0.2846438 0.7646432 0.1516485), wk = 0.0028409 k( 239) = ( -0.2846438 0.7646432 0.1733126), wk = 0.0028409 k( 240) = ( -0.2846438 0.7646432 0.1949766), wk = 0.0028409 k( 241) = ( -0.2846438 0.7646432 0.2166407), wk = 0.0028409 k( 242) = ( -0.2846438 0.7646432 0.2383048), wk = 0.0028409 k( 243) = ( -0.2846438 0.7646432 0.2599689), wk = 0.0028409 k( 244) = ( -0.2846438 0.7646432 0.2816329), wk = 0.0028409 k( 245) = ( -0.2846438 0.7646432 0.3032970), wk = 0.0028409 k( 246) = ( -0.2846438 0.7646432 0.3249611), wk = 0.0028409 k( 247) = ( -0.2846438 0.7646432 0.3466252), wk = 0.0028409 k( 248) = ( -0.2846438 0.7646432 0.3682892), wk = 0.0028409 k( 249) = ( -0.2846438 0.7646432 0.3899533), wk = 0.0028409 k( 250) = ( -0.2846438 0.7646432 0.4116174), wk = 0.0028409 k( 251) = ( -0.2846438 0.7646432 0.4332814), wk = 0.0028409 k( 252) = ( -0.2846438 0.7646432 0.4549455), wk = 0.0028409 k( 253) = ( -0.2846438 0.7646432 0.4766096), wk = 0.0028409 k( 254) = ( -0.2846438 0.7646432 0.4982737), wk = 0.0028409 k( 255) = ( -0.2846438 0.7646432 0.5199377), wk = 0.0028409 k( 256) = ( -0.2846438 0.7646432 0.5416018), wk = 0.0028409 k( 257) = ( -0.2846438 0.7646432 0.5632659), wk = 0.0028409 k( 258) = ( -0.2846438 0.7646432 0.5849299), wk = 0.0028409 k( 259) = ( -0.2846438 0.7646432 0.6065940), wk = 0.0028409 k( 260) = ( -0.2846438 0.7646432 0.6282581), wk = 0.0028409 k( 261) = ( -0.2846438 0.7646432 0.6499222), wk = 0.0028409 k( 262) = ( -0.2846438 0.7646432 0.6715862), wk = 0.0028409 k( 263) = ( -0.2846438 0.7646432 0.6932503), wk = 0.0028409 k( 264) = ( -0.2846438 0.7646432 0.6932503), wk = 0.0028409 k( 265) = ( -0.2920699 0.7446944 0.6932503), wk = 0.0028409 k( 266) = ( -0.2994960 0.7247456 0.6932503), wk = 0.0028409 k( 267) = ( -0.3069221 0.7047969 0.6932503), wk = 0.0028409 k( 268) = ( -0.3143481 0.6848481 0.6932503), wk = 0.0028409 k( 269) = ( -0.3217742 0.6648993 0.6932503), wk = 0.0028409 k( 270) = ( -0.3292003 0.6449505 0.6932503), wk = 0.0028409 k( 271) = ( -0.3366264 0.6250017 0.6932503), wk = 0.0028409 k( 272) = ( -0.3440524 0.6050529 0.6932503), wk = 0.0028409 k( 273) = ( -0.3514785 0.5851042 0.6932503), wk = 0.0028409 k( 274) = ( -0.3589046 0.5651554 0.6932503), wk = 0.0028409 k( 275) = ( -0.3663306 0.5452066 0.6932503), wk = 0.0028409 k( 276) = ( -0.3737567 0.5252578 0.6932503), wk = 0.0028409 k( 277) = ( -0.3811828 0.5053090 0.6932503), wk = 0.0028409 k( 278) = ( -0.3886089 0.4853603 0.6932503), wk = 0.0028409 k( 279) = ( -0.3960349 0.4654115 0.6932503), wk = 0.0028409 k( 280) = ( -0.4034610 0.4454627 0.6932503), wk = 0.0028409 k( 281) = ( -0.4108871 0.4255139 0.6932503), wk = 0.0028409 k( 282) = ( -0.4183132 0.4055651 0.6932503), wk = 0.0028409 k( 283) = ( -0.4257393 0.3856164 0.6932503), wk = 0.0028409 k( 284) = ( -0.4331653 0.3656676 0.6932503), wk = 0.0028409 k( 285) = ( -0.4405914 0.3457188 0.6932503), wk = 0.0028409 k( 286) = ( -0.4480175 0.3257700 0.6932503), wk = 0.0028409 k( 287) = ( -0.4554435 0.3058212 0.6932503), wk = 0.0028409 k( 288) = ( -0.4628696 0.2858724 0.6932503), wk = 0.0028409 k( 289) = ( -0.4702957 0.2659237 0.6932503), wk = 0.0028409 k( 290) = ( -0.4777218 0.2459749 0.6932503), wk = 0.0028409 k( 291) = ( -0.4851478 0.2260261 0.6932503), wk = 0.0028409 k( 292) = ( -0.4925739 0.2060773 0.6932503), wk = 0.0028409 k( 293) = ( -0.5000000 0.1861285 0.6932503), wk = 0.0028409 k( 294) = ( -0.5000000 0.1861285 0.6932503), wk = 0.0028409 k( 295) = ( -0.5000000 0.1861285 0.6715862), wk = 0.0028409 k( 296) = ( -0.5000000 0.1861285 0.6499222), wk = 0.0028409 k( 297) = ( -0.5000000 0.1861285 0.6282581), wk = 0.0028409 k( 298) = ( -0.5000000 0.1861285 0.6065940), wk = 0.0028409 k( 299) = ( -0.5000000 0.1861285 0.5849299), wk = 0.0028409 k( 300) = ( -0.5000000 0.1861285 0.5632659), wk = 0.0028409 k( 301) = ( -0.5000000 0.1861285 0.5416018), wk = 0.0028409 k( 302) = ( -0.5000000 0.1861285 0.5199377), wk = 0.0028409 k( 303) = ( -0.5000000 0.1861285 0.4982737), wk = 0.0028409 k( 304) = ( -0.5000000 0.1861285 0.4766096), wk = 0.0028409 k( 305) = ( -0.5000000 0.1861285 0.4549455), wk = 0.0028409 k( 306) = ( -0.5000000 0.1861285 0.4332814), wk = 0.0028409 k( 307) = ( -0.5000000 0.1861285 0.4116174), wk = 0.0028409 k( 308) = ( -0.5000000 0.1861285 0.3899533), wk = 0.0028409 k( 309) = ( -0.5000000 0.1861285 0.3682892), wk = 0.0028409 k( 310) = ( -0.5000000 0.1861285 0.3466252), wk = 0.0028409 k( 311) = ( -0.5000000 0.1861285 0.3249611), wk = 0.0028409 k( 312) = ( -0.5000000 0.1861285 0.3032970), wk = 0.0028409 k( 313) = ( -0.5000000 0.1861285 0.2816329), wk = 0.0028409 k( 314) = ( -0.5000000 0.1861285 0.2599689), wk = 0.0028409 k( 315) = ( -0.5000000 0.1861285 0.2383048), wk = 0.0028409 k( 316) = ( -0.5000000 0.1861285 0.2166407), wk = 0.0028409 k( 317) = ( -0.5000000 0.1861285 0.1949766), wk = 0.0028409 k( 318) = ( -0.5000000 0.1861285 0.1733126), wk = 0.0028409 k( 319) = ( -0.5000000 0.1861285 0.1516485), wk = 0.0028409 k( 320) = ( -0.5000000 0.1861285 0.1299844), wk = 0.0028409 k( 321) = ( -0.5000000 0.1861285 0.1083204), wk = 0.0028409 k( 322) = ( -0.5000000 0.1861285 0.0866563), wk = 0.0028409 k( 323) = ( -0.5000000 0.1861285 0.0649922), wk = 0.0028409 k( 324) = ( -0.5000000 0.1861285 0.0433281), wk = 0.0028409 k( 325) = ( -0.5000000 0.1861285 0.0216641), wk = 0.0028409 k( 326) = ( -0.5000000 0.1861285 0.0000000), wk = 0.0028409 k( 327) = ( 0.0000000 0.0000000 0.6932503), wk = 0.0028409 k( 328) = ( -0.0200000 0.0074451 0.6932503), wk = 0.0028409 k( 329) = ( -0.0400000 0.0148903 0.6932503), wk = 0.0028409 k( 330) = ( -0.0600000 0.0223354 0.6932503), wk = 0.0028409 k( 331) = ( -0.0800000 0.0297806 0.6932503), wk = 0.0028409 k( 332) = ( -0.1000000 0.0372257 0.6932503), wk = 0.0028409 k( 333) = ( -0.1200000 0.0446708 0.6932503), wk = 0.0028409 k( 334) = ( -0.1400000 0.0521160 0.6932503), wk = 0.0028409 k( 335) = ( -0.1600000 0.0595611 0.6932503), wk = 0.0028409 k( 336) = ( -0.1800000 0.0670063 0.6932503), wk = 0.0028409 k( 337) = ( -0.2000000 0.0744514 0.6932503), wk = 0.0028409 k( 338) = ( -0.2200000 0.0818966 0.6932503), wk = 0.0028409 k( 339) = ( -0.2400000 0.0893417 0.6932503), wk = 0.0028409 k( 340) = ( -0.2600000 0.0967868 0.6932503), wk = 0.0028409 k( 341) = ( -0.2800000 0.1042320 0.6932503), wk = 0.0028409 k( 342) = ( -0.3000000 0.1116771 0.6932503), wk = 0.0028409 k( 343) = ( -0.3200000 0.1191223 0.6932503), wk = 0.0028409 k( 344) = ( -0.3400000 0.1265674 0.6932503), wk = 0.0028409 k( 345) = ( -0.3600000 0.1340125 0.6932503), wk = 0.0028409 k( 346) = ( -0.3800000 0.1414577 0.6932503), wk = 0.0028409 k( 347) = ( -0.4000000 0.1489028 0.6932503), wk = 0.0028409 k( 348) = ( -0.4200000 0.1563480 0.6932503), wk = 0.0028409 k( 349) = ( -0.4400000 0.1637931 0.6932503), wk = 0.0028409 k( 350) = ( -0.4600000 0.1712382 0.6932503), wk = 0.0028409 k( 351) = ( -0.4800000 0.1786834 0.6932503), wk = 0.0028409 k( 352) = ( -0.5000000 0.1861285 0.6932503), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0074906 0.0074906 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0149812 0.0149812 0.0000000), wk = 0.0028409 k( 4) = ( 0.0224719 0.0224719 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0299625 0.0299625 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0374531 0.0374531 0.0000000), wk = 0.0028409 k( 7) = ( 0.0449438 0.0449438 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0524344 0.0524344 0.0000000), wk = 0.0028409 k( 9) = ( 0.0599250 0.0599250 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0674156 0.0674156 0.0000000), wk = 0.0028409 k( 11) = ( 0.0749063 0.0749063 0.0000000), wk = 0.0028409 k( 12) = ( 0.0823969 0.0823969 -0.0000000), wk = 0.0028409 k( 13) = ( 0.0898875 0.0898875 -0.0000000), wk = 0.0028409 k( 14) = ( 0.0973781 0.0973781 -0.0000000), wk = 0.0028409 k( 15) = ( 0.1048688 0.1048688 0.0000000), wk = 0.0028409 k( 16) = ( 0.1123594 0.1123594 -0.0000000), wk = 0.0028409 k( 17) = ( 0.1198500 0.1198500 -0.0000000), wk = 0.0028409 k( 18) = ( 0.1273407 0.1273407 -0.0000000), wk = 0.0028409 k( 19) = ( 0.1348313 0.1348313 -0.0000000), wk = 0.0028409 k( 20) = ( 0.1423219 0.1423219 0.0000000), wk = 0.0028409 k( 21) = ( 0.1498125 0.1498125 0.0000000), wk = 0.0028409 k( 22) = ( 0.1573032 0.1573032 -0.0000000), wk = 0.0028409 k( 23) = ( 0.1647938 0.1647938 -0.0000000), wk = 0.0028409 k( 24) = ( 0.1722844 0.1722844 -0.0000000), wk = 0.0028409 k( 25) = ( 0.1797750 0.1797750 -0.0000000), wk = 0.0028409 k( 26) = ( 0.1872657 0.1872657 -0.0000000), wk = 0.0028409 k( 27) = ( 0.1947563 0.1947563 -0.0000000), wk = 0.0028409 k( 28) = ( 0.2022469 0.2022469 -0.0000000), wk = 0.0028409 k( 29) = ( 0.2097376 0.2097376 0.0000000), wk = 0.0028409 k( 30) = ( 0.2172282 0.2172282 0.0000000), wk = 0.0028409 k( 31) = ( 0.2247188 0.2247188 -0.0000000), wk = 0.0028409 k( 32) = ( 0.2322094 0.2322094 0.0000000), wk = 0.0028409 k( 33) = ( 0.2397001 0.2397001 0.0000000), wk = 0.0028409 k( 34) = ( 0.2471907 0.2471907 -0.0000000), wk = 0.0028409 k( 35) = ( 0.2546813 0.2546813 -0.0000000), wk = 0.0028409 k( 36) = ( 0.2621719 0.2621719 -0.0000000), wk = 0.0028409 k( 37) = ( 0.2696626 0.2696626 -0.0000000), wk = 0.0028409 k( 38) = ( 0.2771532 0.2771532 0.0000000), wk = 0.0028409 k( 39) = ( 0.2846438 0.2846438 0.0000000), wk = 0.0028409 k( 40) = ( 0.2846438 0.2846438 0.0000000), wk = 0.0028409 k( 41) = ( 0.2643121 0.3000264 -0.0000000), wk = 0.0028409 k( 42) = ( 0.2439804 0.3154090 -0.0000000), wk = 0.0028409 k( 43) = ( 0.2236487 0.3307916 -0.0000000), wk = 0.0028409 k( 44) = ( 0.2033170 0.3461742 0.0000000), wk = 0.0028409 k( 45) = ( 0.1829853 0.3615567 -0.0000000), wk = 0.0028409 k( 46) = ( 0.1626536 0.3769393 -0.0000000), wk = 0.0028409 k( 47) = ( 0.1423219 0.3923219 0.0000000), wk = 0.0028409 k( 48) = ( 0.1219902 0.4077045 -0.0000000), wk = 0.0028409 k( 49) = ( 0.1016585 0.4230871 -0.0000000), wk = 0.0028409 k( 50) = ( 0.0813268 0.4384697 0.0000000), wk = 0.0028409 k( 51) = ( 0.0609951 0.4538523 -0.0000000), wk = 0.0028409 k( 52) = ( 0.0406634 0.4692348 0.0000000), wk = 0.0028409 k( 53) = ( 0.0203317 0.4846174 -0.0000000), wk = 0.0028409 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 56) = ( 0.0000000 0.5000000 0.0156250), wk = 0.0028409 k( 57) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0028409 k( 58) = ( 0.0000000 0.5000000 0.0468750), wk = 0.0028409 k( 59) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0028409 k( 60) = ( 0.0000000 0.5000000 0.0781250), wk = 0.0028409 k( 61) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0028409 k( 62) = ( 0.0000000 0.5000000 0.1093750), wk = 0.0028409 k( 63) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0028409 k( 64) = ( 0.0000000 0.5000000 0.1406250), wk = 0.0028409 k( 65) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0028409 k( 66) = ( 0.0000000 0.5000000 0.1718750), wk = 0.0028409 k( 67) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0028409 k( 68) = ( 0.0000000 0.5000000 0.2031250), wk = 0.0028409 k( 69) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0028409 k( 70) = ( 0.0000000 0.5000000 0.2343750), wk = 0.0028409 k( 71) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028409 k( 72) = ( 0.0000000 0.5000000 0.2656250), wk = 0.0028409 k( 73) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0028409 k( 74) = ( 0.0000000 0.5000000 0.2968750), wk = 0.0028409 k( 75) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0028409 k( 76) = ( 0.0000000 0.5000000 0.3281250), wk = 0.0028409 k( 77) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0028409 k( 78) = ( 0.0000000 0.5000000 0.3593750), wk = 0.0028409 k( 79) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0028409 k( 80) = ( 0.0000000 0.5000000 0.3906250), wk = 0.0028409 k( 81) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0028409 k( 82) = ( 0.0000000 0.5000000 0.4218750), wk = 0.0028409 k( 83) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0028409 k( 84) = ( 0.0000000 0.5000000 0.4531250), wk = 0.0028409 k( 85) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0028409 k( 86) = ( 0.0000000 0.5000000 0.4843750), wk = 0.0028409 k( 87) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 88) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 89) = ( 0.0203317 0.4846174 0.5000000), wk = 0.0028409 k( 90) = ( 0.0406634 0.4692348 0.5000000), wk = 0.0028409 k( 91) = ( 0.0609951 0.4538523 0.5000000), wk = 0.0028409 k( 92) = ( 0.0813268 0.4384697 0.5000000), wk = 0.0028409 k( 93) = ( 0.1016585 0.4230871 0.5000000), wk = 0.0028409 k( 94) = ( 0.1219902 0.4077045 0.5000000), wk = 0.0028409 k( 95) = ( 0.1423219 0.3923219 0.5000000), wk = 0.0028409 k( 96) = ( 0.1626536 0.3769393 0.5000000), wk = 0.0028409 k( 97) = ( 0.1829853 0.3615567 0.5000000), wk = 0.0028409 k( 98) = ( 0.2033170 0.3461742 0.5000000), wk = 0.0028409 k( 99) = ( 0.2236487 0.3307916 0.5000000), wk = 0.0028409 k( 100) = ( 0.2439804 0.3154090 0.5000000), wk = 0.0028409 k( 101) = ( 0.2643121 0.3000264 0.5000000), wk = 0.0028409 k( 102) = ( 0.2846438 0.2846438 0.5000000), wk = 0.0028409 k( 103) = ( 0.2846438 0.2846438 0.5000000), wk = 0.0028409 k( 104) = ( 0.2771532 0.2771532 0.5000000), wk = 0.0028409 k( 105) = ( 0.2696626 0.2696626 0.5000000), wk = 0.0028409 k( 106) = ( 0.2621719 0.2621719 0.5000000), wk = 0.0028409 k( 107) = ( 0.2546813 0.2546813 0.5000000), wk = 0.0028409 k( 108) = ( 0.2471907 0.2471907 0.5000000), wk = 0.0028409 k( 109) = ( 0.2397001 0.2397001 0.5000000), wk = 0.0028409 k( 110) = ( 0.2322094 0.2322094 0.5000000), wk = 0.0028409 k( 111) = ( 0.2247188 0.2247188 0.5000000), wk = 0.0028409 k( 112) = ( 0.2172282 0.2172282 0.5000000), wk = 0.0028409 k( 113) = ( 0.2097376 0.2097376 0.5000000), wk = 0.0028409 k( 114) = ( 0.2022469 0.2022469 0.5000000), wk = 0.0028409 k( 115) = ( 0.1947563 0.1947563 0.5000000), wk = 0.0028409 k( 116) = ( 0.1872657 0.1872657 0.5000000), wk = 0.0028409 k( 117) = ( 0.1797750 0.1797750 0.5000000), wk = 0.0028409 k( 118) = ( 0.1722844 0.1722844 0.5000000), wk = 0.0028409 k( 119) = ( 0.1647938 0.1647938 0.5000000), wk = 0.0028409 k( 120) = ( 0.1573032 0.1573032 0.5000000), wk = 0.0028409 k( 121) = ( 0.1498125 0.1498125 0.5000000), wk = 0.0028409 k( 122) = ( 0.1423219 0.1423219 0.5000000), wk = 0.0028409 k( 123) = ( 0.1348313 0.1348313 0.5000000), wk = 0.0028409 k( 124) = ( 0.1273407 0.1273407 0.5000000), wk = 0.0028409 k( 125) = ( 0.1198500 0.1198500 0.5000000), wk = 0.0028409 k( 126) = ( 0.1123594 0.1123594 0.5000000), wk = 0.0028409 k( 127) = ( 0.1048688 0.1048688 0.5000000), wk = 0.0028409 k( 128) = ( 0.0973781 0.0973781 0.5000000), wk = 0.0028409 k( 129) = ( 0.0898875 0.0898875 0.5000000), wk = 0.0028409 k( 130) = ( 0.0823969 0.0823969 0.5000000), wk = 0.0028409 k( 131) = ( 0.0749063 0.0749063 0.5000000), wk = 0.0028409 k( 132) = ( 0.0674156 0.0674156 0.5000000), wk = 0.0028409 k( 133) = ( 0.0599250 0.0599250 0.5000000), wk = 0.0028409 k( 134) = ( 0.0524344 0.0524344 0.5000000), wk = 0.0028409 k( 135) = ( 0.0449438 0.0449438 0.5000000), wk = 0.0028409 k( 136) = ( 0.0374531 0.0374531 0.5000000), wk = 0.0028409 k( 137) = ( 0.0299625 0.0299625 0.5000000), wk = 0.0028409 k( 138) = ( 0.0224719 0.0224719 0.5000000), wk = 0.0028409 k( 139) = ( 0.0149812 0.0149812 0.5000000), wk = 0.0028409 k( 140) = ( 0.0074906 0.0074906 0.5000000), wk = 0.0028409 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 143) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0028409 k( 144) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0028409 k( 145) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0028409 k( 157) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0028409 k( 158) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0028409 k( 162) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028409 k( 163) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0028409 k( 164) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0028409 k( 165) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0028409 k( 166) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028409 k( 167) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0028409 k( 168) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0028409 k( 169) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0028409 k( 170) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028409 k( 171) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0028409 k( 172) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0028409 k( 173) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0028409 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 176) = ( -0.0200000 0.0200000 -0.0000000), wk = 0.0028409 k( 177) = ( -0.0400000 0.0400000 -0.0000000), wk = 0.0028409 k( 178) = ( -0.0600000 0.0600000 0.0000000), wk = 0.0028409 k( 179) = ( -0.0800000 0.0800000 -0.0000000), wk = 0.0028409 k( 180) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0028409 k( 181) = ( -0.1200000 0.1200000 0.0000000), wk = 0.0028409 k( 182) = ( -0.1400000 0.1400000 0.0000000), wk = 0.0028409 k( 183) = ( -0.1600000 0.1600000 -0.0000000), wk = 0.0028409 k( 184) = ( -0.1800000 0.1800000 -0.0000000), wk = 0.0028409 k( 185) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0028409 k( 186) = ( -0.2200000 0.2200000 -0.0000000), wk = 0.0028409 k( 187) = ( -0.2400000 0.2400000 0.0000000), wk = 0.0028409 k( 188) = ( -0.2600000 0.2600000 0.0000000), wk = 0.0028409 k( 189) = ( -0.2800000 0.2800000 0.0000000), wk = 0.0028409 k( 190) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0028409 k( 191) = ( -0.3200000 0.3200000 -0.0000000), wk = 0.0028409 k( 192) = ( -0.3400000 0.3400000 0.0000000), wk = 0.0028409 k( 193) = ( -0.3600000 0.3600000 -0.0000000), wk = 0.0028409 k( 194) = ( -0.3800000 0.3800000 0.0000000), wk = 0.0028409 k( 195) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0028409 k( 196) = ( -0.4200000 0.4200000 0.0000000), wk = 0.0028409 k( 197) = ( -0.4400000 0.4400000 -0.0000000), wk = 0.0028409 k( 198) = ( -0.4600000 0.4600000 0.0000000), wk = 0.0028409 k( 199) = ( -0.4800000 0.4800000 0.0000000), wk = 0.0028409 k( 200) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 201) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 202) = ( -0.4925739 0.5074261 0.0000000), wk = 0.0028409 k( 203) = ( -0.4851478 0.5148521 -0.0000000), wk = 0.0028409 k( 204) = ( -0.4777218 0.5222782 -0.0000000), wk = 0.0028409 k( 205) = ( -0.4702957 0.5297043 -0.0000000), wk = 0.0028409 k( 206) = ( -0.4628696 0.5371304 0.0000000), wk = 0.0028409 k( 207) = ( -0.4554435 0.5445564 0.0000000), wk = 0.0028409 k( 208) = ( -0.4480175 0.5519825 0.0000000), wk = 0.0028409 k( 209) = ( -0.4405914 0.5594086 0.0000000), wk = 0.0028409 k( 210) = ( -0.4331653 0.5668347 0.0000000), wk = 0.0028409 k( 211) = ( -0.4257393 0.5742607 0.0000000), wk = 0.0028409 k( 212) = ( -0.4183132 0.5816868 -0.0000000), wk = 0.0028409 k( 213) = ( -0.4108871 0.5891129 -0.0000000), wk = 0.0028409 k( 214) = ( -0.4034610 0.5965390 0.0000000), wk = 0.0028409 k( 215) = ( -0.3960349 0.6039651 -0.0000000), wk = 0.0028409 k( 216) = ( -0.3886089 0.6113911 -0.0000000), wk = 0.0028409 k( 217) = ( -0.3811828 0.6188172 0.0000000), wk = 0.0028409 k( 218) = ( -0.3737567 0.6262433 0.0000000), wk = 0.0028409 k( 219) = ( -0.3663306 0.6336694 -0.0000000), wk = 0.0028409 k( 220) = ( -0.3589046 0.6410954 0.0000000), wk = 0.0028409 k( 221) = ( -0.3514785 0.6485215 0.0000000), wk = 0.0028409 k( 222) = ( -0.3440524 0.6559476 -0.0000000), wk = 0.0028409 k( 223) = ( -0.3366264 0.6633737 -0.0000000), wk = 0.0028409 k( 224) = ( -0.3292003 0.6707997 0.0000000), wk = 0.0028409 k( 225) = ( -0.3217742 0.6782258 0.0000000), wk = 0.0028409 k( 226) = ( -0.3143481 0.6856519 0.0000000), wk = 0.0028409 k( 227) = ( -0.3069221 0.6930780 0.0000000), wk = 0.0028409 k( 228) = ( -0.2994960 0.7005040 0.0000000), wk = 0.0028409 k( 229) = ( -0.2920699 0.7079301 -0.0000000), wk = 0.0028409 k( 230) = ( -0.2846438 0.7153562 0.0000000), wk = 0.0028409 k( 231) = ( -0.2846438 0.7153562 0.0000000), wk = 0.0028409 k( 232) = ( -0.2846438 0.7153562 0.0156250), wk = 0.0028409 k( 233) = ( -0.2846438 0.7153562 0.0312500), wk = 0.0028409 k( 234) = ( -0.2846438 0.7153562 0.0468750), wk = 0.0028409 k( 235) = ( -0.2846438 0.7153562 0.0625000), wk = 0.0028409 k( 236) = ( -0.2846438 0.7153562 0.0781250), wk = 0.0028409 k( 237) = ( -0.2846438 0.7153562 0.0937500), wk = 0.0028409 k( 238) = ( -0.2846438 0.7153562 0.1093750), wk = 0.0028409 k( 239) = ( -0.2846438 0.7153562 0.1250000), wk = 0.0028409 k( 240) = ( -0.2846438 0.7153562 0.1406250), wk = 0.0028409 k( 241) = ( -0.2846438 0.7153562 0.1562500), wk = 0.0028409 k( 242) = ( -0.2846438 0.7153562 0.1718750), wk = 0.0028409 k( 243) = ( -0.2846438 0.7153562 0.1875000), wk = 0.0028409 k( 244) = ( -0.2846438 0.7153562 0.2031250), wk = 0.0028409 k( 245) = ( -0.2846438 0.7153562 0.2187500), wk = 0.0028409 k( 246) = ( -0.2846438 0.7153562 0.2343750), wk = 0.0028409 k( 247) = ( -0.2846438 0.7153562 0.2500000), wk = 0.0028409 k( 248) = ( -0.2846438 0.7153562 0.2656250), wk = 0.0028409 k( 249) = ( -0.2846438 0.7153562 0.2812500), wk = 0.0028409 k( 250) = ( -0.2846438 0.7153562 0.2968750), wk = 0.0028409 k( 251) = ( -0.2846438 0.7153562 0.3125000), wk = 0.0028409 k( 252) = ( -0.2846438 0.7153562 0.3281250), wk = 0.0028409 k( 253) = ( -0.2846438 0.7153562 0.3437500), wk = 0.0028409 k( 254) = ( -0.2846438 0.7153562 0.3593750), wk = 0.0028409 k( 255) = ( -0.2846438 0.7153562 0.3750000), wk = 0.0028409 k( 256) = ( -0.2846438 0.7153562 0.3906250), wk = 0.0028409 k( 257) = ( -0.2846438 0.7153562 0.4062500), wk = 0.0028409 k( 258) = ( -0.2846438 0.7153562 0.4218750), wk = 0.0028409 k( 259) = ( -0.2846438 0.7153562 0.4375000), wk = 0.0028409 k( 260) = ( -0.2846438 0.7153562 0.4531250), wk = 0.0028409 k( 261) = ( -0.2846438 0.7153562 0.4687500), wk = 0.0028409 k( 262) = ( -0.2846438 0.7153562 0.4843750), wk = 0.0028409 k( 263) = ( -0.2846438 0.7153562 0.5000000), wk = 0.0028409 k( 264) = ( -0.2846438 0.7153562 0.5000000), wk = 0.0028409 k( 265) = ( -0.2920699 0.7079301 0.5000000), wk = 0.0028409 k( 266) = ( -0.2994960 0.7005040 0.5000000), wk = 0.0028409 k( 267) = ( -0.3069221 0.6930780 0.5000000), wk = 0.0028409 k( 268) = ( -0.3143481 0.6856519 0.5000000), wk = 0.0028409 k( 269) = ( -0.3217742 0.6782258 0.5000000), wk = 0.0028409 k( 270) = ( -0.3292003 0.6707997 0.5000000), wk = 0.0028409 k( 271) = ( -0.3366264 0.6633737 0.5000000), wk = 0.0028409 k( 272) = ( -0.3440524 0.6559476 0.5000000), wk = 0.0028409 k( 273) = ( -0.3514785 0.6485215 0.5000000), wk = 0.0028409 k( 274) = ( -0.3589046 0.6410954 0.5000000), wk = 0.0028409 k( 275) = ( -0.3663306 0.6336694 0.5000000), wk = 0.0028409 k( 276) = ( -0.3737567 0.6262433 0.5000000), wk = 0.0028409 k( 277) = ( -0.3811828 0.6188172 0.5000000), wk = 0.0028409 k( 278) = ( -0.3886089 0.6113911 0.5000000), wk = 0.0028409 k( 279) = ( -0.3960349 0.6039651 0.5000000), wk = 0.0028409 k( 280) = ( -0.4034610 0.5965390 0.5000000), wk = 0.0028409 k( 281) = ( -0.4108871 0.5891129 0.5000000), wk = 0.0028409 k( 282) = ( -0.4183132 0.5816868 0.5000000), wk = 0.0028409 k( 283) = ( -0.4257393 0.5742607 0.5000000), wk = 0.0028409 k( 284) = ( -0.4331653 0.5668347 0.5000000), wk = 0.0028409 k( 285) = ( -0.4405914 0.5594086 0.5000000), wk = 0.0028409 k( 286) = ( -0.4480175 0.5519825 0.5000000), wk = 0.0028409 k( 287) = ( -0.4554435 0.5445564 0.5000000), wk = 0.0028409 k( 288) = ( -0.4628696 0.5371304 0.5000000), wk = 0.0028409 k( 289) = ( -0.4702957 0.5297043 0.5000000), wk = 0.0028409 k( 290) = ( -0.4777218 0.5222782 0.5000000), wk = 0.0028409 k( 291) = ( -0.4851478 0.5148521 0.5000000), wk = 0.0028409 k( 292) = ( -0.4925739 0.5074261 0.5000000), wk = 0.0028409 k( 293) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 294) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 295) = ( -0.5000000 0.5000000 0.4843750), wk = 0.0028409 k( 296) = ( -0.5000000 0.5000000 0.4687500), wk = 0.0028409 k( 297) = ( -0.5000000 0.5000000 0.4531250), wk = 0.0028409 k( 298) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0028409 k( 299) = ( -0.5000000 0.5000000 0.4218750), wk = 0.0028409 k( 300) = ( -0.5000000 0.5000000 0.4062500), wk = 0.0028409 k( 301) = ( -0.5000000 0.5000000 0.3906250), wk = 0.0028409 k( 302) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0028409 k( 303) = ( -0.5000000 0.5000000 0.3593750), wk = 0.0028409 k( 304) = ( -0.5000000 0.5000000 0.3437500), wk = 0.0028409 k( 305) = ( -0.5000000 0.5000000 0.3281250), wk = 0.0028409 k( 306) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0028409 k( 307) = ( -0.5000000 0.5000000 0.2968750), wk = 0.0028409 k( 308) = ( -0.5000000 0.5000000 0.2812500), wk = 0.0028409 k( 309) = ( -0.5000000 0.5000000 0.2656250), wk = 0.0028409 k( 310) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0028409 k( 311) = ( -0.5000000 0.5000000 0.2343750), wk = 0.0028409 k( 312) = ( -0.5000000 0.5000000 0.2187500), wk = 0.0028409 k( 313) = ( -0.5000000 0.5000000 0.2031250), wk = 0.0028409 k( 314) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0028409 k( 315) = ( -0.5000000 0.5000000 0.1718750), wk = 0.0028409 k( 316) = ( -0.5000000 0.5000000 0.1562500), wk = 0.0028409 k( 317) = ( -0.5000000 0.5000000 0.1406250), wk = 0.0028409 k( 318) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0028409 k( 319) = ( -0.5000000 0.5000000 0.1093750), wk = 0.0028409 k( 320) = ( -0.5000000 0.5000000 0.0937500), wk = 0.0028409 k( 321) = ( -0.5000000 0.5000000 0.0781250), wk = 0.0028409 k( 322) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0028409 k( 323) = ( -0.5000000 0.5000000 0.0468750), wk = 0.0028409 k( 324) = ( -0.5000000 0.5000000 0.0312500), wk = 0.0028409 k( 325) = ( -0.5000000 0.5000000 0.0156250), wk = 0.0028409 k( 326) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 328) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0028409 k( 329) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0028409 k( 330) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0028409 k( 331) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0028409 k( 332) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0028409 k( 333) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0028409 k( 334) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0028409 k( 335) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0028409 k( 336) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0028409 k( 337) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0028409 k( 338) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0028409 k( 339) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0028409 k( 340) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0028409 k( 341) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0028409 k( 342) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0028409 k( 343) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0028409 k( 344) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0028409 k( 345) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0028409 k( 346) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0028409 k( 347) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0028409 k( 348) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0028409 k( 349) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0028409 k( 350) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0028409 k( 351) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0028409 k( 352) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028409 Dense grid: 54183 G-vectors FFT dimensions: ( 64, 64, 45) Smooth grid: 35563 G-vectors FFT dimensions: ( 54, 54, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 254, 48) NL pseudopotentials 0.26 Mb ( 127, 136) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1506) G-vector shells 0.01 Mb ( 765) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 254, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./InI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.5 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.7 secs Computing kpt #: 20 total cpu time spent up to now is 13.2 secs Computing kpt #: 21 total cpu time spent up to now is 13.7 secs Computing kpt #: 22 total cpu time spent up to now is 14.2 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.3 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.4 secs Computing kpt #: 27 total cpu time spent up to now is 16.9 secs Computing kpt #: 28 total cpu time spent up to now is 17.5 secs Computing kpt #: 29 total cpu time spent up to now is 18.0 secs Computing kpt #: 30 total cpu time spent up to now is 18.5 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.3 secs Computing kpt #: 33 total cpu time spent up to now is 19.8 secs Computing kpt #: 34 total cpu time spent up to now is 20.2 secs Computing kpt #: 35 total cpu time spent up to now is 20.6 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.4 secs Computing kpt #: 38 total cpu time spent up to now is 21.8 secs Computing kpt #: 39 total cpu time spent up to now is 22.2 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.0 secs Computing kpt #: 42 total cpu time spent up to now is 23.5 secs Computing kpt #: 43 total cpu time spent up to now is 23.9 secs Computing kpt #: 44 total cpu time spent up to now is 24.3 secs Computing kpt #: 45 total cpu time spent up to now is 24.7 secs Computing kpt #: 46 total cpu time spent up to now is 25.1 secs Computing kpt #: 47 total cpu time spent up to now is 25.6 secs Computing kpt #: 48 total cpu time spent up to now is 26.0 secs Computing kpt #: 49 total cpu time spent up to now is 26.4 secs Computing kpt #: 50 total cpu time spent up to now is 26.8 secs Computing kpt #: 51 total cpu time spent up to now is 27.3 secs Computing kpt #: 52 total cpu time spent up to now is 27.7 secs Computing kpt #: 53 total cpu time spent up to now is 28.1 secs Computing kpt #: 54 total cpu time spent up to now is 28.5 secs Computing kpt #: 55 total cpu time spent up to now is 28.9 secs Computing kpt #: 56 total cpu time spent up to now is 29.4 secs Computing kpt #: 57 total cpu time spent up to now is 29.8 secs Computing kpt #: 58 total cpu time spent up to now is 30.2 secs Computing kpt #: 59 total cpu time spent up to now is 30.7 secs Computing kpt #: 60 total cpu time spent up to now is 31.1 secs Computing kpt #: 61 total cpu time spent up to now is 31.6 secs Computing kpt #: 62 total cpu time spent up to now is 32.0 secs Computing kpt #: 63 total cpu time spent up to now is 32.4 secs Computing kpt #: 64 total cpu time spent up to now is 32.9 secs Computing kpt #: 65 total cpu time spent up to now is 33.3 secs Computing kpt #: 66 total cpu time spent up to now is 33.8 secs Computing kpt #: 67 total cpu time spent up to now is 34.2 secs Computing kpt #: 68 total cpu time spent up to now is 34.7 secs Computing kpt #: 69 total cpu time spent up to now is 35.1 secs Computing kpt #: 70 total cpu time spent up to now is 35.5 secs Computing kpt #: 71 total cpu time spent up to now is 36.0 secs Computing kpt #: 72 total cpu time spent up to now is 36.4 secs Computing kpt #: 73 total cpu time spent up to now is 36.9 secs Computing kpt #: 74 total cpu time spent up to now is 37.3 secs Computing kpt #: 75 total cpu time spent up to now is 37.7 secs Computing kpt #: 76 total cpu time spent up to now is 38.2 secs Computing kpt #: 77 total cpu time spent up to now is 38.6 secs Computing kpt #: 78 total cpu time spent up to now is 39.0 secs Computing kpt #: 79 total cpu time spent up to now is 39.5 secs Computing kpt #: 80 total cpu time spent up to now is 39.9 secs Computing kpt #: 81 total cpu time spent up to now is 40.4 secs Computing kpt #: 82 total cpu time spent up to now is 40.8 secs Computing kpt #: 83 total cpu time spent up to now is 41.3 secs Computing kpt #: 84 total cpu time spent up to now is 41.7 secs Computing kpt #: 85 total cpu time spent up to now is 42.1 secs Computing kpt #: 86 total cpu time spent up to now is 42.6 secs Computing kpt #: 87 total cpu time spent up to now is 43.0 secs Computing kpt #: 88 total cpu time spent up to now is 43.5 secs Computing kpt #: 89 total cpu time spent up to now is 43.9 secs Computing kpt #: 90 total cpu time spent up to now is 44.3 secs Computing kpt #: 91 total cpu time spent up to now is 44.8 secs Computing kpt #: 92 total cpu time spent up to now is 45.2 secs Computing kpt #: 93 total cpu time spent up to now is 45.7 secs Computing kpt #: 94 total cpu time spent up to now is 46.1 secs Computing kpt #: 95 total cpu time spent up to now is 46.5 secs Computing kpt #: 96 total cpu time spent up to now is 47.0 secs Computing kpt #: 97 total cpu time spent up to now is 47.4 secs Computing kpt #: 98 total cpu time spent up to now is 47.9 secs Computing kpt #: 99 total cpu time spent up to now is 48.3 secs Computing kpt #: 100 total cpu time spent up to now is 48.7 secs Computing kpt #: 101 total cpu time spent up to now is 49.2 secs Computing kpt #: 102 total cpu time spent up to now is 49.6 secs Computing kpt #: 103 total cpu time spent up to now is 50.0 secs Computing kpt #: 104 total cpu time spent up to now is 50.5 secs Computing kpt #: 105 total cpu time spent up to now is 50.9 secs Computing kpt #: 106 total cpu time spent up to now is 51.3 secs Computing kpt #: 107 total cpu time spent up to now is 51.8 secs Computing kpt #: 108 total cpu time spent up to now is 52.2 secs Computing kpt #: 109 total cpu time spent up to now is 52.7 secs Computing kpt #: 110 total cpu time spent up to now is 53.1 secs Computing kpt #: 111 total cpu time spent up to now is 53.5 secs Computing kpt #: 112 total cpu time spent up to now is 54.0 secs Computing kpt #: 113 total cpu time spent up to now is 54.4 secs Computing kpt #: 114 total cpu time spent up to now is 54.9 secs Computing kpt #: 115 total cpu time spent up to now is 55.3 secs Computing kpt #: 116 total cpu time spent up to now is 55.7 secs Computing kpt #: 117 total cpu time spent up to now is 56.2 secs Computing kpt #: 118 total cpu time spent up to now is 56.6 secs Computing kpt #: 119 total cpu time spent up to now is 57.1 secs Computing kpt #: 120 total cpu time spent up to now is 57.5 secs Computing kpt #: 121 total cpu time spent up to now is 58.0 secs Computing kpt #: 122 total cpu time spent up to now is 58.4 secs Computing kpt #: 123 total cpu time spent up to now is 58.9 secs Computing kpt #: 124 total cpu time spent up to now is 59.3 secs Computing kpt #: 125 total cpu time spent up to now is 59.8 secs Computing kpt #: 126 total cpu time spent up to now is 60.2 secs Computing kpt #: 127 total cpu time spent up to now is 60.7 secs Computing kpt #: 128 total cpu time spent up to now is 61.1 secs Computing kpt #: 129 total cpu time spent up to now is 61.6 secs Computing kpt #: 130 total cpu time spent up to now is 62.0 secs Computing kpt #: 131 total cpu time spent up to now is 62.5 secs Computing kpt #: 132 total cpu time spent up to now is 62.9 secs Computing kpt #: 133 total cpu time spent up to now is 63.3 secs Computing kpt #: 134 total cpu time spent up to now is 63.8 secs Computing kpt #: 135 total cpu time spent up to now is 64.2 secs Computing kpt #: 136 total cpu time spent up to now is 64.6 secs Computing kpt #: 137 total cpu time spent up to now is 65.1 secs Computing kpt #: 138 total cpu time spent up to now is 65.5 secs Computing kpt #: 139 total cpu time spent up to now is 65.9 secs Computing kpt #: 140 total cpu time spent up to now is 66.4 secs Computing kpt #: 141 total cpu time spent up to now is 66.8 secs Computing kpt #: 142 total cpu time spent up to now is 67.2 secs Computing kpt #: 143 total cpu time spent up to now is 67.7 secs Computing kpt #: 144 total cpu time spent up to now is 68.1 secs Computing kpt #: 145 total cpu time spent up to now is 68.5 secs Computing kpt #: 146 total cpu time spent up to now is 69.0 secs Computing kpt #: 147 total cpu time spent up to now is 69.4 secs Computing kpt #: 148 total cpu time spent up to now is 69.8 secs Computing kpt #: 149 total cpu time spent up to now is 70.2 secs Computing kpt #: 150 total cpu time spent up to now is 70.7 secs Computing kpt #: 151 total cpu time spent up to now is 71.1 secs Computing kpt #: 152 total cpu time spent up to now is 71.5 secs Computing kpt #: 153 total cpu time spent up to now is 72.0 secs Computing kpt #: 154 total cpu time spent up to now is 72.4 secs Computing kpt #: 155 total cpu time spent up to now is 72.9 secs Computing kpt #: 156 total cpu time spent up to now is 73.3 secs Computing kpt #: 157 total cpu time spent up to now is 73.8 secs Computing kpt #: 158 total cpu time spent up to now is 74.2 secs Computing kpt #: 159 total cpu time spent up to now is 74.7 secs Computing kpt #: 160 total cpu time spent up to now is 75.2 secs Computing kpt #: 161 total cpu time spent up to now is 75.8 secs Computing kpt #: 162 total cpu time spent up to now is 76.3 secs Computing kpt #: 163 total cpu time spent up to now is 76.9 secs Computing kpt #: 164 total cpu time spent up to now is 77.5 secs Computing kpt #: 165 total cpu time spent up to now is 78.1 secs Computing kpt #: 166 total cpu time spent up to now is 78.6 secs Computing kpt #: 167 total cpu time spent up to now is 79.2 secs Computing kpt #: 168 total cpu time spent up to now is 79.8 secs Computing kpt #: 169 total cpu time spent up to now is 80.4 secs Computing kpt #: 170 total cpu time spent up to now is 81.0 secs Computing kpt #: 171 total cpu time spent up to now is 81.5 secs Computing kpt #: 172 total cpu time spent up to now is 82.0 secs Computing kpt #: 173 total cpu time spent up to now is 82.5 secs Computing kpt #: 174 total cpu time spent up to now is 83.1 secs Computing kpt #: 175 total cpu time spent up to now is 83.6 secs Computing kpt #: 176 total cpu time spent up to now is 84.2 secs Computing kpt #: 177 total cpu time spent up to now is 84.7 secs Computing kpt #: 178 total cpu time spent up to now is 85.2 secs Computing kpt #: 179 total cpu time spent up to now is 85.7 secs Computing kpt #: 180 total cpu time spent up to now is 86.3 secs Computing kpt #: 181 total cpu time spent up to now is 86.8 secs Computing kpt #: 182 total cpu time spent up to now is 87.3 secs Computing kpt #: 183 total cpu time spent up to now is 87.8 secs Computing kpt #: 184 total cpu time spent up to now is 88.2 secs Computing kpt #: 185 total cpu time spent up to now is 88.7 secs Computing kpt #: 186 total cpu time spent up to now is 89.2 secs Computing kpt #: 187 total cpu time spent up to now is 89.7 secs Computing kpt #: 188 total cpu time spent up to now is 90.2 secs Computing kpt #: 189 total cpu time spent up to now is 90.6 secs Computing kpt #: 190 total cpu time spent up to now is 91.1 secs Computing kpt #: 191 total cpu time spent up to now is 91.6 secs Computing kpt #: 192 total cpu time spent up to now is 92.1 secs Computing kpt #: 193 total cpu time spent up to now is 92.5 secs Computing kpt #: 194 total cpu time spent up to now is 93.0 secs Computing kpt #: 195 total cpu time spent up to now is 93.5 secs Computing kpt #: 196 total cpu time spent up to now is 94.0 secs Computing kpt #: 197 total cpu time spent up to now is 94.6 secs Computing kpt #: 198 total cpu time spent up to now is 95.2 secs Computing kpt #: 199 total cpu time spent up to now is 95.7 secs Computing kpt #: 200 total cpu time spent up to now is 96.3 secs Computing kpt #: 201 total cpu time spent up to now is 96.9 secs Computing kpt #: 202 total cpu time spent up to now is 97.4 secs Computing kpt #: 203 total cpu time spent up to now is 98.0 secs Computing kpt #: 204 total cpu time spent up to now is 98.6 secs Computing kpt #: 205 total cpu time spent up to now is 99.2 secs Computing kpt #: 206 total cpu time spent up to now is 99.8 secs Computing kpt #: 207 total cpu time spent up to now is 100.4 secs Computing kpt #: 208 total cpu time spent up to now is 101.0 secs Computing kpt #: 209 total cpu time spent up to now is 101.5 secs Computing kpt #: 210 total cpu time spent up to now is 102.1 secs Computing kpt #: 211 total cpu time spent up to now is 102.7 secs Computing kpt #: 212 total cpu time spent up to now is 103.2 secs Computing kpt #: 213 total cpu time spent up to now is 103.7 secs Computing kpt #: 214 total cpu time spent up to now is 104.2 secs Computing kpt #: 215 total cpu time spent up to now is 104.7 secs Computing kpt #: 216 total cpu time spent up to now is 105.1 secs Computing kpt #: 217 total cpu time spent up to now is 105.5 secs Computing kpt #: 218 total cpu time spent up to now is 106.0 secs Computing kpt #: 219 total cpu time spent up to now is 106.4 secs Computing kpt #: 220 total cpu time spent up to now is 106.8 secs Computing kpt #: 221 total cpu time spent up to now is 107.3 secs Computing kpt #: 222 total cpu time spent up to now is 107.7 secs Computing kpt #: 223 total cpu time spent up to now is 108.1 secs Computing kpt #: 224 total cpu time spent up to now is 108.5 secs Computing kpt #: 225 total cpu time spent up to now is 108.9 secs Computing kpt #: 226 total cpu time spent up to now is 109.3 secs Computing kpt #: 227 total cpu time spent up to now is 109.7 secs Computing kpt #: 228 total cpu time spent up to now is 110.2 secs Computing kpt #: 229 total cpu time spent up to now is 110.6 secs Computing kpt #: 230 total cpu time spent up to now is 111.0 secs Computing kpt #: 231 total cpu time spent up to now is 111.4 secs Computing kpt #: 232 total cpu time spent up to now is 111.8 secs Computing kpt #: 233 total cpu time spent up to now is 112.2 secs Computing kpt #: 234 total cpu time spent up to now is 112.6 secs Computing kpt #: 235 total cpu time spent up to now is 113.1 secs Computing kpt #: 236 total cpu time spent up to now is 113.5 secs Computing kpt #: 237 total cpu time spent up to now is 114.0 secs Computing kpt #: 238 total cpu time spent up to now is 114.4 secs Computing kpt #: 239 total cpu time spent up to now is 114.8 secs Computing kpt #: 240 total cpu time spent up to now is 115.3 secs Computing kpt #: 241 total cpu time spent up to now is 115.7 secs Computing kpt #: 242 total cpu time spent up to now is 116.1 secs Computing kpt #: 243 total cpu time spent up to now is 116.6 secs Computing kpt #: 244 total cpu time spent up to now is 117.1 secs Computing kpt #: 245 total cpu time spent up to now is 117.6 secs Computing kpt #: 246 total cpu time spent up to now is 118.1 secs Computing kpt #: 247 total cpu time spent up to now is 118.6 secs Computing kpt #: 248 total cpu time spent up to now is 119.0 secs Computing kpt #: 249 total cpu time spent up to now is 119.4 secs Computing kpt #: 250 total cpu time spent up to now is 119.9 secs Computing kpt #: 251 total cpu time spent up to now is 120.3 secs Computing kpt #: 252 total cpu time spent up to now is 120.8 secs Computing kpt #: 253 total cpu time spent up to now is 121.2 secs Computing kpt #: 254 total cpu time spent up to now is 121.7 secs Computing kpt #: 255 total cpu time spent up to now is 122.1 secs Computing kpt #: 256 total cpu time spent up to now is 122.6 secs Computing kpt #: 257 total cpu time spent up to now is 123.0 secs Computing kpt #: 258 total cpu time spent up to now is 123.5 secs Computing kpt #: 259 total cpu time spent up to now is 123.9 secs Computing kpt #: 260 total cpu time spent up to now is 124.4 secs Computing kpt #: 261 total cpu time spent up to now is 124.8 secs Computing kpt #: 262 total cpu time spent up to now is 125.2 secs Computing kpt #: 263 total cpu time spent up to now is 125.7 secs Computing kpt #: 264 total cpu time spent up to now is 126.1 secs Computing kpt #: 265 total cpu time spent up to now is 126.5 secs Computing kpt #: 266 total cpu time spent up to now is 127.0 secs Computing kpt #: 267 total cpu time spent up to now is 127.4 secs Computing kpt #: 268 total cpu time spent up to now is 127.8 secs Computing kpt #: 269 total cpu time spent up to now is 128.3 secs Computing kpt #: 270 total cpu time spent up to now is 128.7 secs Computing kpt #: 271 total cpu time spent up to now is 129.2 secs Computing kpt #: 272 total cpu time spent up to now is 129.6 secs Computing kpt #: 273 total cpu time spent up to now is 130.1 secs Computing kpt #: 274 total cpu time spent up to now is 130.5 secs Computing kpt #: 275 total cpu time spent up to now is 131.0 secs Computing kpt #: 276 total cpu time spent up to now is 131.5 secs Computing kpt #: 277 total cpu time spent up to now is 132.0 secs Computing kpt #: 278 total cpu time spent up to now is 132.5 secs Computing kpt #: 279 total cpu time spent up to now is 132.9 secs Computing kpt #: 280 total cpu time spent up to now is 133.4 secs Computing kpt #: 281 total cpu time spent up to now is 133.9 secs Computing kpt #: 282 total cpu time spent up to now is 134.3 secs Computing kpt #: 283 total cpu time spent up to now is 134.8 secs Computing kpt #: 284 total cpu time spent up to now is 135.3 secs Computing kpt #: 285 total cpu time spent up to now is 135.7 secs Computing kpt #: 286 total cpu time spent up to now is 136.2 secs Computing kpt #: 287 total cpu time spent up to now is 136.7 secs Computing kpt #: 288 total cpu time spent up to now is 137.1 secs Computing kpt #: 289 total cpu time spent up to now is 137.6 secs Computing kpt #: 290 total cpu time spent up to now is 138.0 secs Computing kpt #: 291 total cpu time spent up to now is 138.5 secs Computing kpt #: 292 total cpu time spent up to now is 139.0 secs Computing kpt #: 293 total cpu time spent up to now is 139.4 secs Computing kpt #: 294 total cpu time spent up to now is 139.9 secs Computing kpt #: 295 total cpu time spent up to now is 140.4 secs Computing kpt #: 296 total cpu time spent up to now is 140.8 secs Computing kpt #: 297 total cpu time spent up to now is 141.3 secs Computing kpt #: 298 total cpu time spent up to now is 141.7 secs Computing kpt #: 299 total cpu time spent up to now is 142.2 secs Computing kpt #: 300 total cpu time spent up to now is 142.7 secs Computing kpt #: 301 total cpu time spent up to now is 143.1 secs Computing kpt #: 302 total cpu time spent up to now is 143.6 secs Computing kpt #: 303 total cpu time spent up to now is 144.1 secs Computing kpt #: 304 total cpu time spent up to now is 144.6 secs Computing kpt #: 305 total cpu time spent up to now is 145.0 secs Computing kpt #: 306 total cpu time spent up to now is 145.5 secs Computing kpt #: 307 total cpu time spent up to now is 146.0 secs Computing kpt #: 308 total cpu time spent up to now is 146.5 secs Computing kpt #: 309 total cpu time spent up to now is 146.9 secs Computing kpt #: 310 total cpu time spent up to now is 147.4 secs Computing kpt #: 311 total cpu time spent up to now is 147.9 secs Computing kpt #: 312 total cpu time spent up to now is 148.4 secs Computing kpt #: 313 total cpu time spent up to now is 148.8 secs Computing kpt #: 314 total cpu time spent up to now is 149.3 secs Computing kpt #: 315 total cpu time spent up to now is 149.8 secs Computing kpt #: 316 total cpu time spent up to now is 150.3 secs Computing kpt #: 317 total cpu time spent up to now is 150.8 secs Computing kpt #: 318 total cpu time spent up to now is 151.4 secs Computing kpt #: 319 total cpu time spent up to now is 151.9 secs Computing kpt #: 320 total cpu time spent up to now is 152.5 secs Computing kpt #: 321 total cpu time spent up to now is 153.1 secs Computing kpt #: 322 total cpu time spent up to now is 153.7 secs Computing kpt #: 323 total cpu time spent up to now is 154.3 secs Computing kpt #: 324 total cpu time spent up to now is 154.8 secs Computing kpt #: 325 total cpu time spent up to now is 155.4 secs Computing kpt #: 326 total cpu time spent up to now is 156.0 secs Computing kpt #: 327 total cpu time spent up to now is 156.4 secs Computing kpt #: 328 total cpu time spent up to now is 156.8 secs Computing kpt #: 329 total cpu time spent up to now is 157.3 secs Computing kpt #: 330 total cpu time spent up to now is 157.7 secs Computing kpt #: 331 total cpu time spent up to now is 158.1 secs Computing kpt #: 332 total cpu time spent up to now is 158.6 secs Computing kpt #: 333 total cpu time spent up to now is 159.0 secs Computing kpt #: 334 total cpu time spent up to now is 159.5 secs Computing kpt #: 335 total cpu time spent up to now is 159.9 secs Computing kpt #: 336 total cpu time spent up to now is 160.3 secs Computing kpt #: 337 total cpu time spent up to now is 160.8 secs Computing kpt #: 338 total cpu time spent up to now is 161.2 secs Computing kpt #: 339 total cpu time spent up to now is 161.7 secs Computing kpt #: 340 total cpu time spent up to now is 162.1 secs Computing kpt #: 341 total cpu time spent up to now is 162.6 secs Computing kpt #: 342 total cpu time spent up to now is 163.0 secs Computing kpt #: 343 total cpu time spent up to now is 163.4 secs Computing kpt #: 344 total cpu time spent up to now is 163.9 secs Computing kpt #: 345 total cpu time spent up to now is 164.3 secs Computing kpt #: 346 total cpu time spent up to now is 164.8 secs Computing kpt #: 347 total cpu time spent up to now is 165.2 secs Computing kpt #: 348 total cpu time spent up to now is 165.7 secs Computing kpt #: 349 total cpu time spent up to now is 166.2 secs Computing kpt #: 350 total cpu time spent up to now is 166.6 secs Computing kpt #: 351 total cpu time spent up to now is 167.1 secs Computing kpt #: 352 total cpu time spent up to now is 167.5 secs ethr = 2.50E-08, avg # of iterations = 17.0 total cpu time spent up to now is 167.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4435 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1982 -9.1982 -9.1940 -9.1940 -8.3875 -8.3875 -8.3652 -8.3652 -8.3513 -8.3513 -8.3396 -8.3396 -8.3171 -8.3171 -8.3055 -8.3055 -7.3777 -7.3777 -6.7138 -6.7138 0.9250 0.9250 1.6494 1.6494 1.6689 1.6689 2.2956 2.2956 2.8673 2.8673 2.9615 2.9615 3.6617 3.6617 4.4305 4.4305 8.8511 8.8511 8.9090 8.9090 8.9275 8.9275 9.2613 9.2613 k = 0.0075 0.0201-0.0000 ( 4427 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1982 -9.1982 -9.1940 -9.1940 -8.3875 -8.3875 -8.3652 -8.3652 -8.3513 -8.3513 -8.3396 -8.3396 -8.3171 -8.3171 -8.3055 -8.3055 -7.3772 -7.3772 -6.7139 -6.7139 0.9236 0.9236 1.6428 1.6428 1.6677 1.6677 2.2963 2.2963 2.8720 2.8720 2.9656 2.9656 3.6641 3.6641 4.4307 4.4307 8.8008 8.8008 8.8738 8.8738 9.0025 9.0025 9.2676 9.2676 k = 0.0150 0.0402-0.0000 ( 4433 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1981 -9.1981 -9.1940 -9.1940 -8.3874 -8.3874 -8.3652 -8.3652 -8.3512 -8.3512 -8.3395 -8.3395 -8.3171 -8.3171 -8.3055 -8.3055 -7.3758 -7.3758 -6.7142 -6.7142 0.9193 0.9193 1.6252 1.6252 1.6620 1.6620 2.2987 2.2987 2.8853 2.8853 2.9779 2.9779 3.6714 3.6714 4.4315 4.4315 8.7039 8.7039 8.8590 8.8590 9.0829 9.0829 9.2867 9.2867 k = 0.0225 0.0604-0.0000 ( 4445 PWs) bands (ev): -9.2055 -9.2055 -9.2017 -9.2017 -9.1981 -9.1981 -9.1940 -9.1940 -8.3873 -8.3873 -8.3652 -8.3652 -8.3512 -8.3512 -8.3395 -8.3395 -8.3172 -8.3172 -8.3055 -8.3055 -7.3735 -7.3735 -6.7147 -6.7147 0.9117 0.9117 1.5996 1.5996 1.6507 1.6507 2.3030 2.3030 2.9049 2.9049 2.9988 2.9988 3.6837 3.6837 4.4329 4.4329 8.5990 8.5990 8.8398 8.8398 9.1536 9.1536 9.3193 9.3193 k = 0.0300 0.0805-0.0000 ( 4445 PWs) bands (ev): -9.2055 -9.2055 -9.2017 -9.2017 -9.1980 -9.1980 -9.1940 -9.1940 -8.3871 -8.3871 -8.3652 -8.3652 -8.3511 -8.3511 -8.3394 -8.3394 -8.3173 -8.3173 -8.3055 -8.3055 -7.3703 -7.3703 -6.7154 -6.7154 0.9002 0.9002 1.5679 1.5679 1.6348 1.6348 2.3097 2.3097 2.9280 2.9280 3.0283 3.0283 3.7012 3.7012 4.4348 4.4348 8.4904 8.4904 8.8137 8.8137 9.2136 9.2136 9.3638 9.3638 k = 0.0375 0.1006-0.0000 ( 4441 PWs) bands (ev): -9.2055 -9.2055 -9.2016 -9.2016 -9.1978 -9.1978 -9.1940 -9.1940 -8.3868 -8.3868 -8.3652 -8.3652 -8.3511 -8.3511 -8.3394 -8.3394 -8.3174 -8.3174 -8.3055 -8.3055 -7.3661 -7.3661 -6.7163 -6.7163 0.8841 0.8841 1.5317 1.5317 1.6156 1.6156 2.3189 2.3189 2.9529 2.9529 3.0655 3.0655 3.7241 3.7241 4.4373 4.4373 8.3791 8.3791 8.7807 8.7807 9.2656 9.2656 9.4151 9.4151 k = 0.0449 0.1207-0.0000 ( 4445 PWs) bands (ev): -9.2055 -9.2055 -9.2016 -9.2016 -9.1977 -9.1977 -9.1940 -9.1940 -8.3866 -8.3866 -8.3652 -8.3652 -8.3510 -8.3510 -8.3393 -8.3393 -8.3175 -8.3175 -8.3055 -8.3055 -7.3611 -7.3611 -6.7174 -6.7174 0.8627 0.8627 1.4925 1.4925 1.5952 1.5952 2.3307 2.3307 2.9783 2.9783 3.1085 3.1085 3.7525 3.7525 4.4405 4.4405 8.2659 8.2659 8.7409 8.7409 9.3133 9.3133 9.4663 9.4663 k = 0.0524 0.1409-0.0000 ( 4445 PWs) bands (ev): -9.2056 -9.2056 -9.2015 -9.2015 -9.1975 -9.1975 -9.1940 -9.1940 -8.3862 -8.3862 -8.3651 -8.3651 -8.3509 -8.3509 -8.3392 -8.3392 -8.3177 -8.3177 -8.3055 -8.3055 -7.3552 -7.3552 -6.7188 -6.7188 0.8353 0.8353 1.4514 1.4514 1.5754 1.5754 2.3451 2.3451 3.0041 3.0041 3.1552 3.1552 3.7866 3.7866 4.4445 4.4445 8.1517 8.1517 8.6946 8.6946 9.3570 9.3570 9.5109 9.5109 k = 0.0599 0.1610-0.0000 ( 4445 PWs) bands (ev): -9.2056 -9.2056 -9.2014 -9.2014 -9.1972 -9.1972 -9.1940 -9.1940 -8.3858 -8.3858 -8.3651 -8.3651 -8.3508 -8.3508 -8.3390 -8.3390 -8.3179 -8.3179 -8.3055 -8.3055 -7.3485 -7.3485 -6.7204 -6.7204 0.8013 0.8013 1.4092 1.4092 1.5581 1.5581 2.3619 2.3619 3.0297 3.0297 3.2037 3.2037 3.8263 3.8263 4.4493 4.4493 8.0369 8.0369 8.6421 8.6421 9.3921 9.3921 9.5417 9.5417 k = 0.0674 0.1811-0.0000 ( 4445 PWs) bands (ev): -9.2057 -9.2057 -9.2013 -9.2013 -9.1970 -9.1970 -9.1939 -9.1939 -8.3854 -8.3854 -8.3651 -8.3651 -8.3507 -8.3507 -8.3389 -8.3389 -8.3181 -8.3181 -8.3055 -8.3055 -7.3409 -7.3409 -6.7222 -6.7222 0.7607 0.7607 1.3663 1.3663 1.5449 1.5449 2.3810 2.3810 3.0548 3.0548 3.2528 3.2528 3.8711 3.8711 4.4552 4.4552 7.9221 7.9221 8.5838 8.5838 9.4035 9.4035 9.5513 9.5513 k = 0.0749 0.2012-0.0000 ( 4445 PWs) bands (ev): -9.2057 -9.2057 -9.2012 -9.2012 -9.1968 -9.1968 -9.1939 -9.1939 -8.3850 -8.3850 -8.3651 -8.3651 -8.3506 -8.3506 -8.3387 -8.3387 -8.3183 -8.3183 -8.3055 -8.3055 -7.3326 -7.3326 -6.7243 -6.7243 0.7140 0.7140 1.3228 1.3228 1.5368 1.5368 2.4023 2.4023 3.0792 3.0792 3.3017 3.3017 3.9206 3.9206 4.4625 4.4625 7.8079 7.8079 8.5202 8.5202 9.3687 9.3687 9.5477 9.5477 k = 0.0824 0.2213-0.0000 ( 4429 PWs) bands (ev): -9.2058 -9.2058 -9.2011 -9.2011 -9.1965 -9.1965 -9.1939 -9.1939 -8.3845 -8.3845 -8.3651 -8.3651 -8.3505 -8.3505 -8.3386 -8.3386 -8.3186 -8.3186 -8.3055 -8.3055 -7.3235 -7.3235 -6.7267 -6.7267 0.6618 0.6618 1.2790 1.2790 1.5344 1.5344 2.4256 2.4256 3.1022 3.1022 3.3500 3.3500 3.9738 3.9738 4.4713 4.4713 7.6948 7.6948 8.4519 8.4519 9.2912 9.2912 9.5373 9.5373 k = 0.0899 0.2415-0.0000 ( 4433 PWs) bands (ev): -9.2058 -9.2058 -9.2010 -9.2010 -9.1963 -9.1963 -9.1938 -9.1938 -8.3839 -8.3839 -8.3650 -8.3650 -8.3504 -8.3504 -8.3384 -8.3384 -8.3188 -8.3188 -8.3054 -8.3054 -7.3137 -7.3137 -6.7295 -6.7295 0.6051 0.6051 1.2350 1.2350 1.5375 1.5375 2.4508 2.4508 3.1238 3.1238 3.3974 3.3974 4.0296 4.0296 4.4821 4.4821 7.5834 7.5834 8.3794 8.3794 9.1927 9.1927 9.5101 9.5101 k = 0.0974 0.2616-0.0000 ( 4433 PWs) bands (ev): -9.2059 -9.2059 -9.2009 -9.2009 -9.1960 -9.1960 -9.1937 -9.1937 -8.3834 -8.3834 -8.3650 -8.3650 -8.3503 -8.3503 -8.3382 -8.3382 -8.3191 -8.3191 -8.3054 -8.3054 -7.3032 -7.3032 -6.7325 -6.7325 0.5449 0.5449 1.1912 1.1912 1.5459 1.5459 2.4778 2.4778 3.1436 3.1436 3.4440 3.4440 4.0864 4.0864 4.4955 4.4955 7.4742 7.4742 8.3034 8.3034 9.0851 9.0851 9.4631 9.4631 k = 0.1049 0.2817-0.0000 ( 4417 PWs) bands (ev): -9.2059 -9.2059 -9.2007 -9.2007 -9.1958 -9.1958 -9.1936 -9.1936 -8.3828 -8.3828 -8.3650 -8.3650 -8.3502 -8.3502 -8.3379 -8.3379 -8.3194 -8.3194 -8.3054 -8.3054 -7.2921 -7.2921 -6.7359 -6.7359 0.4823 0.4823 1.1478 1.1478 1.5591 1.5591 2.5065 2.5065 3.1615 3.1615 3.4895 3.4895 4.1429 4.1429 4.5122 4.5122 7.3679 7.3679 8.2246 8.2246 8.9735 8.9735 9.4019 9.4019 k = 0.1124 0.3018-0.0000 ( 4419 PWs) bands (ev): -9.2060 -9.2060 -9.2006 -9.2006 -9.1956 -9.1956 -9.1935 -9.1935 -8.3822 -8.3822 -8.3650 -8.3650 -8.3501 -8.3501 -8.3377 -8.3377 -8.3197 -8.3197 -8.3054 -8.3054 -7.2804 -7.2804 -6.7396 -6.7396 0.4182 0.4182 1.1052 1.1052 1.5767 1.5767 2.5368 2.5368 3.1774 3.1774 3.5341 3.5341 4.1972 4.1972 4.5331 4.5331 7.2649 7.2649 8.1435 8.1435 8.8604 8.8604 9.3332 9.3332 k = 0.1199 0.3220-0.0000 ( 4421 PWs) bands (ev): -9.2061 -9.2061 -9.2005 -9.2005 -9.1954 -9.1954 -9.1933 -9.1933 -8.3816 -8.3816 -8.3650 -8.3650 -8.3500 -8.3500 -8.3374 -8.3374 -8.3201 -8.3201 -8.3054 -8.3054 -7.2682 -7.2682 -6.7438 -6.7438 0.3533 0.3533 1.0636 1.0636 1.5981 1.5981 2.5686 2.5686 3.1914 3.1914 3.5774 3.5774 4.2478 4.2478 4.5589 4.5589 7.1661 7.1661 8.0609 8.0609 8.7469 8.7469 9.2620 9.2620 k = 0.1273 0.3421-0.0000 ( 4433 PWs) bands (ev): -9.2061 -9.2061 -9.2003 -9.2003 -9.1953 -9.1953 -9.1930 -9.1930 -8.3809 -8.3809 -8.3649 -8.3649 -8.3499 -8.3499 -8.3372 -8.3372 -8.3204 -8.3204 -8.3053 -8.3053 -7.2555 -7.2555 -6.7483 -6.7483 0.2884 0.2884 1.0234 1.0234 1.6229 1.6229 2.6017 2.6017 3.2033 3.2033 3.6192 3.6192 4.2935 4.2935 4.5900 4.5900 7.0722 7.0722 7.9773 7.9773 8.6341 8.6341 9.1911 9.1911 k = 0.1348 0.3622-0.0000 ( 4437 PWs) bands (ev): -9.2062 -9.2062 -9.2002 -9.2002 -9.1952 -9.1952 -9.1928 -9.1928 -8.3803 -8.3803 -8.3649 -8.3649 -8.3498 -8.3498 -8.3369 -8.3369 -8.3208 -8.3208 -8.3053 -8.3053 -7.2424 -7.2424 -6.7533 -6.7533 0.2240 0.2240 0.9849 0.9849 1.6508 1.6508 2.6360 2.6360 3.2133 3.2133 3.6592 3.6592 4.3339 4.3339 4.6259 4.6259 6.9839 6.9839 7.8934 7.8934 8.5225 8.5225 9.1224 9.1224 k = 0.1423 0.3823-0.0000 ( 4449 PWs) bands (ev): -9.2063 -9.2063 -9.2001 -9.2001 -9.1951 -9.1951 -9.1924 -9.1924 -8.3797 -8.3797 -8.3649 -8.3649 -8.3497 -8.3497 -8.3366 -8.3366 -8.3211 -8.3211 -8.3053 -8.3053 -7.2289 -7.2289 -6.7587 -6.7587 0.1606 0.1606 0.9482 0.9482 1.6814 1.6814 2.6713 2.6713 3.2213 3.2213 3.6969 3.6969 4.3698 4.3698 4.6654 4.6654 6.9023 6.9023 7.8098 7.8098 8.4128 8.4128 9.0570 9.0570 k = 0.1498 0.4024-0.0000 ( 4455 PWs) bands (ev): -9.2063 -9.2063 -9.1999 -9.1999 -9.1951 -9.1951 -9.1921 -9.1921 -8.3790 -8.3790 -8.3649 -8.3649 -8.3497 -8.3497 -8.3363 -8.3363 -8.3215 -8.3215 -8.3052 -8.3052 -7.2151 -7.2151 -6.7646 -6.7646 0.0987 0.0987 0.9137 0.9137 1.7144 1.7144 2.7076 2.7076 3.2274 3.2274 3.7319 3.7319 4.4022 4.4022 4.7063 4.7063 6.8284 6.8284 7.7271 7.7271 8.3053 8.3053 8.9956 8.9956 k = 0.1573 0.4226-0.0000 ( 4447 PWs) bands (ev): -9.2064 -9.2064 -9.1998 -9.1998 -9.1951 -9.1951 -9.1918 -9.1918 -8.3784 -8.3784 -8.3649 -8.3649 -8.3496 -8.3496 -8.3360 -8.3360 -8.3218 -8.3218 -8.3052 -8.3052 -7.2011 -7.2011 -6.7709 -6.7709 0.0386 0.0386 0.8815 0.8815 1.7495 1.7495 2.7445 2.7445 3.2317 3.2317 3.7637 3.7637 4.4328 4.4328 4.7463 4.7463 6.7633 6.7633 7.6457 7.6457 8.2005 8.2005 8.9389 8.9389 k = 0.1648 0.4427-0.0000 ( 4447 PWs) bands (ev): -9.2065 -9.2065 -9.1997 -9.1997 -9.1950 -9.1950 -9.1914 -9.1914 -8.3777 -8.3777 -8.3649 -8.3649 -8.3496 -8.3496 -8.3357 -8.3357 -8.3222 -8.3222 -8.3052 -8.3052 -7.1869 -7.1869 -6.7777 -6.7777 -0.0194 -0.0194 0.8517 0.8517 1.7865 1.7865 2.7818 2.7818 3.2341 3.2341 3.7919 3.7919 4.4625 4.4625 4.7833 4.7833 6.7080 6.7080 7.5662 7.5662 8.0987 8.0987 8.8871 8.8871 k = 0.1723 0.4628-0.0000 ( 4443 PWs) bands (ev): -9.2066 -9.2066 -9.1996 -9.1996 -9.1950 -9.1950 -9.1910 -9.1910 -8.3771 -8.3771 -8.3649 -8.3649 -8.3495 -8.3495 -8.3354 -8.3354 -8.3226 -8.3226 -8.3051 -8.3051 -7.1726 -7.1726 -6.7850 -6.7850 -0.0750 -0.0750 0.8247 0.8247 1.8252 1.8252 2.8194 2.8194 3.2347 3.2347 3.8161 3.8161 4.4923 4.4923 4.8154 4.8154 6.6638 6.6638 7.4891 7.4891 8.0004 8.0004 8.8405 8.8405 k = 0.1798 0.4829-0.0000 ( 4445 PWs) bands (ev): -9.2067 -9.2067 -9.1995 -9.1995 -9.1950 -9.1950 -9.1906 -9.1906 -8.3765 -8.3765 -8.3649 -8.3649 -8.3495 -8.3495 -8.3351 -8.3351 -8.3229 -8.3229 -8.3051 -8.3051 -7.1582 -7.1582 -6.7927 -6.7927 -0.1281 -0.1281 0.8004 0.8004 1.8653 1.8653 2.8570 2.8570 3.2337 3.2337 3.8360 3.8360 4.5223 4.5223 4.8416 4.8416 6.6315 6.6315 7.4149 7.4149 7.9059 7.9059 8.7989 8.7989 k = 0.1873 0.5031-0.0000 ( 4449 PWs) bands (ev): -9.2068 -9.2068 -9.1994 -9.1994 -9.1950 -9.1950 -9.1903 -9.1903 -8.3759 -8.3759 -8.3649 -8.3649 -8.3495 -8.3495 -8.3348 -8.3348 -8.3233 -8.3233 -8.3050 -8.3050 -7.1439 -7.1439 -6.8010 -6.8010 -0.1783 -0.1783 0.7791 0.7791 1.9067 1.9067 2.8940 2.8940 3.2312 3.2312 3.8516 3.8516 4.5525 4.5525 4.8610 4.8610 6.6119 6.6119 7.3441 7.3441 7.8157 7.8157 8.7618 8.7618 k = 0.1948 0.5232-0.0000 ( 4445 PWs) bands (ev): -9.2069 -9.2069 -9.1993 -9.1993 -9.1951 -9.1951 -9.1899 -9.1899 -8.3753 -8.3753 -8.3649 -8.3649 -8.3496 -8.3496 -8.3345 -8.3345 -8.3236 -8.3236 -8.3050 -8.3050 -7.1296 -7.1296 -6.8097 -6.8097 -0.2255 -0.2255 0.7608 0.7608 1.9490 1.9490 2.9303 2.9303 3.2274 3.2274 3.8628 3.8628 4.5820 4.5820 4.8740 4.8740 6.6052 6.6052 7.2773 7.2773 7.7303 7.7303 8.7275 8.7275 k = 0.2022 0.5433-0.0000 ( 4451 PWs) bands (ev): -9.2070 -9.2070 -9.1992 -9.1992 -9.1951 -9.1951 -9.1895 -9.1895 -8.3747 -8.3747 -8.3649 -8.3649 -8.3496 -8.3496 -8.3343 -8.3343 -8.3240 -8.3240 -8.3049 -8.3049 -7.1155 -7.1155 -6.8190 -6.8190 -0.2695 -0.2695 0.7455 0.7455 1.9921 1.9921 2.9650 2.9650 3.2227 3.2227 3.8699 3.8699 4.6091 4.6091 4.8817 4.8817 6.6110 6.6110 7.2148 7.2148 7.6500 7.6500 8.6918 8.6918 k = 0.2097 0.5634-0.0000 ( 4455 PWs) bands (ev): -9.2071 -9.2071 -9.1992 -9.1992 -9.1951 -9.1951 -9.1892 -9.1892 -8.3742 -8.3742 -8.3649 -8.3649 -8.3497 -8.3497 -8.3340 -8.3340 -8.3243 -8.3243 -8.3049 -8.3049 -7.1016 -7.1016 -6.8287 -6.8287 -0.3103 -0.3103 0.7335 0.7335 2.0356 2.0356 2.9975 2.9975 3.2177 3.2177 3.8730 3.8730 4.6316 4.6316 4.8867 4.8867 6.6286 6.6286 7.1574 7.1574 7.5755 7.5755 8.6465 8.6465 k = 0.2172 0.5835-0.0000 ( 4467 PWs) bands (ev): -9.2072 -9.2072 -9.1991 -9.1991 -9.1951 -9.1951 -9.1888 -9.1888 -8.3737 -8.3737 -8.3649 -8.3649 -8.3497 -8.3497 -8.3337 -8.3337 -8.3246 -8.3246 -8.3049 -8.3049 -7.0880 -7.0880 -6.8389 -6.8389 -0.3477 -0.3477 0.7246 0.7246 2.0794 2.0794 3.0264 3.0264 3.2134 3.2134 3.8725 3.8725 4.6462 4.6462 4.8923 4.8923 6.6565 6.6565 7.1057 7.1057 7.5074 7.5074 8.5868 8.5868 k = 0.2247 0.6037-0.0000 ( 4467 PWs) bands (ev): -9.2073 -9.2073 -9.1991 -9.1991 -9.1951 -9.1951 -9.1885 -9.1885 -8.3733 -8.3733 -8.3648 -8.3648 -8.3498 -8.3498 -8.3335 -8.3335 -8.3249 -8.3249 -8.3048 -8.3048 -7.0747 -7.0747 -6.8495 -6.8495 -0.3817 -0.3817 0.7190 0.7190 2.1232 2.1232 3.0497 3.0497 3.2116 3.2116 3.8688 3.8688 4.6502 4.6502 4.9018 4.9018 6.6929 6.6929 7.0608 7.0608 7.4462 7.4462 8.5174 8.5174 k = 0.2322 0.6238-0.0000 ( 4463 PWs) bands (ev): -9.2074 -9.2074 -9.1990 -9.1990 -9.1951 -9.1951 -9.1881 -9.1881 -8.3729 -8.3729 -8.3648 -8.3648 -8.3499 -8.3499 -8.3333 -8.3333 -8.3252 -8.3252 -8.3048 -8.3048 -7.0618 -7.0618 -6.8606 -6.8606 -0.4120 -0.4120 0.7167 0.7167 2.1666 2.1666 3.0652 3.0652 3.2145 3.2145 3.8621 3.8621 4.6426 4.6426 4.9167 4.9167 6.7348 6.7348 7.0243 7.0243 7.3927 7.3927 8.4443 8.4443 k = 0.2397 0.6439-0.0000 ( 4467 PWs) bands (ev): -9.2075 -9.2075 -9.1990 -9.1990 -9.1951 -9.1951 -9.1878 -9.1878 -8.3726 -8.3726 -8.3647 -8.3647 -8.3500 -8.3500 -8.3331 -8.3331 -8.3255 -8.3255 -8.3047 -8.3047 -7.0493 -7.0493 -6.8720 -6.8720 -0.4388 -0.4388 0.7176 0.7176 2.2094 2.2094 3.0711 3.0711 3.2235 3.2235 3.8528 3.8528 4.6251 4.6251 4.9359 4.9359 6.7779 6.7779 6.9994 6.9994 7.3477 7.3477 8.3709 8.3709 k = 0.2472 0.6640-0.0000 ( 4479 PWs) bands (ev): -9.2077 -9.2077 -9.1990 -9.1990 -9.1952 -9.1952 -9.1875 -9.1875 -8.3723 -8.3723 -8.3647 -8.3647 -8.3501 -8.3501 -8.3329 -8.3329 -8.3257 -8.3257 -8.3047 -8.3047 -7.0373 -7.0373 -6.8839 -6.8839 -0.4619 -0.4619 0.7217 0.7217 2.2513 2.2513 3.0679 3.0679 3.2380 3.2380 3.8414 3.8414 4.6006 4.6006 4.9569 4.9569 6.8142 6.8142 6.9927 6.9927 7.3121 7.3121 8.2989 8.2989 k = 0.2547 0.6842-0.0000 ( 4483 PWs) bands (ev): -9.2078 -9.2078 -9.1990 -9.1990 -9.1952 -9.1952 -9.1872 -9.1872 -8.3721 -8.3721 -8.3646 -8.3646 -8.3503 -8.3503 -8.3327 -8.3327 -8.3260 -8.3260 -8.3047 -8.3047 -7.0259 -7.0259 -6.8961 -6.8961 -0.4814 -0.4814 0.7291 0.7291 2.2918 2.2918 3.0579 3.0579 3.2555 3.2555 3.8280 3.8280 4.5717 4.5717 4.9774 4.9774 6.8347 6.8347 7.0116 7.0116 7.2868 7.2868 8.2295 8.2295 k = 0.2622 0.7043-0.0000 ( 4483 PWs) bands (ev): -9.2079 -9.2079 -9.1989 -9.1989 -9.1952 -9.1952 -9.1869 -9.1869 -8.3720 -8.3720 -8.3644 -8.3644 -8.3504 -8.3504 -8.3325 -8.3325 -8.3262 -8.3262 -8.3046 -8.3046 -7.0149 -7.0149 -6.9086 -6.9086 -0.4971 -0.4971 0.7396 0.7396 2.3306 2.3306 3.0432 3.0432 3.2737 3.2737 3.8132 3.8132 4.5407 4.5407 4.9953 4.9953 6.8406 6.8406 7.0528 7.0528 7.2731 7.2731 8.1642 8.1642 k = 0.2697 0.7244-0.0000 ( 4483 PWs) bands (ev): -9.2081 -9.2081 -9.1989 -9.1989 -9.1952 -9.1952 -9.1867 -9.1867 -8.3719 -8.3719 -8.3642 -8.3642 -8.3505 -8.3505 -8.3324 -8.3324 -8.3264 -8.3264 -8.3046 -8.3046 -7.0046 -7.0046 -6.9214 -6.9214 -0.5093 -0.5093 0.7531 0.7531 2.3674 2.3674 3.0255 3.0255 3.2909 3.2909 3.7971 3.7971 4.5095 4.5095 5.0094 5.0094 6.8416 6.8416 7.1036 7.1036 7.2728 7.2728 8.1043 8.1043 k = 0.2772 0.7445-0.0000 ( 4483 PWs) bands (ev): -9.2082 -9.2082 -9.1990 -9.1990 -9.1952 -9.1952 -9.1865 -9.1865 -8.3720 -8.3720 -8.3640 -8.3640 -8.3507 -8.3507 -8.3322 -8.3322 -8.3266 -8.3266 -8.3046 -8.3046 -6.9949 -6.9949 -6.9344 -6.9344 -0.5177 -0.5177 0.7696 0.7696 2.4017 2.4017 3.0057 3.0057 3.3060 3.3060 3.7801 3.7801 4.4793 4.4793 5.0185 5.0185 6.8439 6.8439 7.1539 7.1539 7.2878 7.2878 8.0518 8.0518 k = 0.2846 0.7646-0.0000 ( 4491 PWs) bands (ev): -9.2084 -9.2084 -9.1990 -9.1990 -9.1952 -9.1952 -9.1862 -9.1862 -8.3721 -8.3721 -8.3638 -8.3638 -8.3508 -8.3508 -8.3321 -8.3321 -8.3269 -8.3269 -8.3046 -8.3046 -6.9859 -6.9859 -6.9476 -6.9476 -0.5226 -0.5226 0.7891 0.7891 2.4332 2.4332 2.9845 2.9845 3.3184 3.3184 3.7626 3.7626 4.4513 4.4513 5.0221 5.0221 6.8502 6.8502 7.1981 7.1981 7.3181 7.3181 8.0094 8.0094 k = 0.2846 0.7646-0.0000 ( 4491 PWs) bands (ev): -9.2084 -9.2084 -9.1990 -9.1990 -9.1952 -9.1952 -9.1862 -9.1862 -8.3721 -8.3721 -8.3638 -8.3638 -8.3508 -8.3508 -8.3321 -8.3321 -8.3269 -8.3269 -8.3046 -8.3046 -6.9859 -6.9859 -6.9476 -6.9476 -0.5226 -0.5226 0.7891 0.7891 2.4332 2.4332 2.9845 2.9845 3.3184 3.3184 3.7626 3.7626 4.4513 4.4513 5.0221 5.0221 6.8502 6.8502 7.1981 7.1981 7.3181 7.3181 8.0094 8.0094 k = 0.2643 0.7646-0.0000 ( 4487 PWs) bands (ev): -9.2083 -9.2083 -9.1990 -9.1990 -9.1952 -9.1952 -9.1863 -9.1863 -8.3720 -8.3720 -8.3639 -8.3639 -8.3507 -8.3507 -8.3321 -8.3321 -8.3268 -8.3268 -8.3046 -8.3046 -6.9899 -6.9899 -6.9422 -6.9422 -0.5207 -0.5207 0.7809 0.7809 2.4260 2.4260 2.9902 2.9902 3.3153 3.3153 3.7652 3.7652 4.4618 4.4618 5.0192 5.0192 6.8486 6.8486 7.1822 7.1822 7.3147 7.3147 8.0198 8.0198 k = 0.2440 0.7646-0.0000 ( 4485 PWs) bands (ev): -9.2083 -9.2083 -9.1989 -9.1989 -9.1952 -9.1952 -9.1864 -9.1864 -8.3720 -8.3720 -8.3641 -8.3641 -8.3506 -8.3506 -8.3321 -8.3321 -8.3267 -8.3267 -8.3046 -8.3046 -6.9950 -6.9950 -6.9357 -6.9357 -0.5170 -0.5170 0.7703 0.7703 2.4241 2.4241 2.9931 2.9931 3.3132 3.3132 3.7616 3.7616 4.4754 4.4754 5.0115 5.0115 6.8496 6.8496 7.1645 7.1645 7.3243 7.3243 8.0279 8.0279 k = 0.2236 0.7646-0.0000 ( 4483 PWs) bands (ev): -9.2082 -9.2082 -9.1989 -9.1989 -9.1952 -9.1952 -9.1866 -9.1866 -8.3719 -8.3719 -8.3643 -8.3643 -8.3505 -8.3505 -8.3321 -8.3321 -8.3267 -8.3267 -8.3047 -8.3047 -7.0004 -7.0004 -6.9289 -6.9289 -0.5119 -0.5119 0.7574 0.7574 2.4277 2.4277 2.9932 2.9932 3.3120 3.3120 3.7526 3.7526 4.4913 4.4913 5.0000 5.0000 6.8527 6.8527 7.1491 7.1491 7.3408 7.3408 8.0347 8.0347 k = 0.2033 0.7646-0.0000 ( 4483 PWs) bands (ev): -9.2082 -9.2082 -9.1988 -9.1988 -9.1952 -9.1952 -9.1867 -9.1867 -8.3718 -8.3718 -8.3646 -8.3646 -8.3503 -8.3503 -8.3320 -8.3320 -8.3266 -8.3266 -8.3047 -8.3047 -7.0057 -7.0057 -6.9223 -6.9223 -0.5055 -0.5055 0.7426 0.7426 2.4366 2.4366 2.9906 2.9906 3.3115 3.3115 3.7390 3.7390 4.5085 4.5085 4.9855 4.9855 6.8579 6.8579 7.1381 7.1381 7.3593 7.3593 8.0419 8.0419 k = 0.1830 0.7646-0.0000 ( 4485 PWs) bands (ev): -9.2081 -9.2081 -9.1987 -9.1987 -9.1952 -9.1952 -9.1869 -9.1869 -8.3718 -8.3718 -8.3649 -8.3649 -8.3502 -8.3502 -8.3319 -8.3319 -8.3266 -8.3266 -8.3048 -8.3048 -7.0107 -7.0107 -6.9161 -6.9161 -0.4981 -0.4981 0.7264 0.7264 2.4503 2.4503 2.9856 2.9856 3.3113 3.3113 3.7222 3.7222 4.5263 4.5263 4.9691 4.9691 6.8648 6.8648 7.1322 7.1322 7.3765 7.3765 8.0509 8.0509 k = 0.1627 0.7646-0.0000 ( 4481 PWs) bands (ev): -9.2081 -9.2081 -9.1986 -9.1986 -9.1952 -9.1952 -9.1870 -9.1870 -8.3717 -8.3717 -8.3652 -8.3652 -8.3500 -8.3500 -8.3318 -8.3318 -8.3266 -8.3266 -8.3049 -8.3049 -7.0154 -7.0154 -6.9104 -6.9104 -0.4900 -0.4900 0.7092 0.7092 2.4683 2.4683 2.9782 2.9782 3.3112 3.3112 3.7031 3.7031 4.5440 4.5440 4.9517 4.9517 6.8732 6.8732 7.1314 7.1314 7.3894 7.3894 8.0630 8.0630 k = 0.1423 0.7646-0.0000 ( 4478 PWs) bands (ev): -9.2080 -9.2080 -9.1985 -9.1985 -9.1953 -9.1953 -9.1872 -9.1872 -8.3715 -8.3715 -8.3656 -8.3656 -8.3498 -8.3498 -8.3317 -8.3317 -8.3266 -8.3266 -8.3050 -8.3050 -7.0196 -7.0196 -6.9052 -6.9052 -0.4816 -0.4816 0.6919 0.6919 2.4899 2.4899 2.9686 2.9686 3.3110 3.3110 3.6832 3.6832 4.5608 4.5608 4.9343 4.9343 6.8826 6.8826 7.1355 7.1355 7.3960 7.3960 8.0787 8.0787 k = 0.1220 0.7646-0.0000 ( 4474 PWs) bands (ev): -9.2080 -9.2080 -9.1984 -9.1984 -9.1953 -9.1953 -9.1874 -9.1874 -8.3714 -8.3714 -8.3660 -8.3660 -8.3496 -8.3496 -8.3315 -8.3315 -8.3265 -8.3265 -8.3051 -8.3051 -7.0233 -7.0233 -6.9006 -6.9006 -0.4732 -0.4732 0.6749 0.6749 2.5143 2.5143 2.9571 2.9571 3.3104 3.3104 3.6634 3.6634 4.5764 4.5764 4.9175 4.9175 6.8927 6.8927 7.1442 7.1442 7.3954 7.3954 8.0980 8.0980 k = 0.1017 0.7646-0.0000 ( 4473 PWs) bands (ev): -9.2080 -9.2080 -9.1983 -9.1983 -9.1953 -9.1953 -9.1875 -9.1875 -8.3713 -8.3713 -8.3663 -8.3663 -8.3495 -8.3495 -8.3314 -8.3314 -8.3265 -8.3265 -8.3052 -8.3052 -7.0265 -7.0265 -6.8966 -6.8966 -0.4653 -0.4653 0.6591 0.6591 2.5402 2.5402 2.9440 2.9440 3.3094 3.3094 3.6449 3.6449 4.5902 4.5902 4.9022 4.9022 6.9028 6.9028 7.1570 7.1570 7.3876 7.3876 8.1196 8.1196 k = 0.0813 0.7646-0.0000 ( 4475 PWs) bands (ev): -9.2080 -9.2080 -9.1982 -9.1982 -9.1953 -9.1953 -9.1877 -9.1877 -8.3712 -8.3712 -8.3666 -8.3666 -8.3493 -8.3493 -8.3313 -8.3313 -8.3266 -8.3266 -8.3053 -8.3053 -7.0292 -7.0292 -6.8934 -6.8934 -0.4581 -0.4581 0.6450 0.6450 2.5662 2.5662 2.9299 2.9299 3.3080 3.3080 3.6286 3.6286 4.6021 4.6021 4.8888 4.8888 6.9123 6.9123 7.1734 7.1734 7.3734 7.3734 8.1417 8.1417 k = 0.0610 0.7646-0.0000 ( 4480 PWs) bands (ev): -9.2080 -9.2080 -9.1982 -9.1982 -9.1953 -9.1953 -9.1878 -9.1878 -8.3710 -8.3710 -8.3669 -8.3669 -8.3492 -8.3492 -8.3311 -8.3311 -8.3266 -8.3266 -8.3054 -8.3054 -7.0313 -7.0313 -6.8908 -6.8908 -0.4521 -0.4521 0.6334 0.6334 2.5907 2.5907 2.9156 2.9156 3.3065 3.3065 3.6153 3.6153 4.6116 4.6116 4.8778 4.8778 6.9205 6.9205 7.1929 7.1929 7.3543 7.3543 8.1620 8.1620 k = 0.0407 0.7646-0.0000 ( 4473 PWs) bands (ev): -9.2079 -9.2079 -9.1981 -9.1981 -9.1953 -9.1953 -9.1879 -9.1879 -8.3709 -8.3709 -8.3671 -8.3671 -8.3491 -8.3491 -8.3311 -8.3311 -8.3266 -8.3266 -8.3054 -8.3054 -7.0327 -7.0327 -6.8890 -6.8890 -0.4475 -0.4475 0.6247 0.6247 2.6114 2.6114 2.9029 2.9029 3.3052 3.3052 3.6055 3.6055 4.6186 4.6186 4.8696 4.8696 6.9268 6.9268 7.2145 7.2145 7.3322 7.3322 8.1784 8.1784 k = 0.0203 0.7646-0.0000 ( 4470 PWs) bands (ev): -9.2079 -9.2079 -9.1981 -9.1981 -9.1953 -9.1953 -9.1879 -9.1879 -8.3708 -8.3708 -8.3673 -8.3673 -8.3491 -8.3491 -8.3310 -8.3310 -8.3266 -8.3266 -8.3055 -8.3055 -7.0336 -7.0336 -6.8879 -6.8879 -0.4446 -0.4446 0.6193 0.6193 2.6255 2.6255 2.8938 2.8938 3.3042 3.3042 3.5995 3.5995 4.6229 4.6229 4.8646 4.8646 6.9308 6.9308 7.2355 7.2355 7.3106 7.3106 8.1890 8.1890 k = 0.0000 0.7646-0.0000 ( 4458 PWs) bands (ev): -9.2079 -9.2079 -9.1980 -9.1980 -9.1953 -9.1953 -9.1879 -9.1879 -8.3708 -8.3708 -8.3673 -8.3673 -8.3491 -8.3491 -8.3310 -8.3310 -8.3266 -8.3266 -8.3055 -8.3055 -7.0339 -7.0339 -6.8875 -6.8875 -0.4437 -0.4437 0.6174 0.6174 2.6306 2.6306 2.8904 2.8904 3.3038 3.3038 3.5975 3.5975 4.6244 4.6244 4.8629 4.8629 6.9322 6.9322 7.2468 7.2468 7.2990 7.2990 8.1927 8.1927 k = 0.0000 0.7646-0.0000 ( 4458 PWs) bands (ev): -9.2079 -9.2079 -9.1980 -9.1980 -9.1953 -9.1953 -9.1879 -9.1879 -8.3708 -8.3708 -8.3673 -8.3673 -8.3491 -8.3491 -8.3310 -8.3310 -8.3266 -8.3266 -8.3055 -8.3055 -7.0339 -7.0339 -6.8875 -6.8875 -0.4437 -0.4437 0.6174 0.6174 2.6306 2.6306 2.8904 2.8904 3.3038 3.3038 3.5975 3.5975 4.6244 4.6244 4.8629 4.8629 6.9322 6.9322 7.2468 7.2468 7.2990 7.2990 8.1927 8.1927 k = 0.0000 0.7646 0.0217 ( 4472 PWs) bands (ev): -9.2079 -9.2079 -9.1981 -9.1981 -9.1954 -9.1954 -9.1879 -9.1879 -8.3711 -8.3711 -8.3671 -8.3671 -8.3490 -8.3490 -8.3313 -8.3313 -8.3263 -8.3263 -8.3055 -8.3055 -7.0335 -7.0335 -6.8873 -6.8873 -0.4423 -0.4423 0.6187 0.6187 2.6274 2.6274 2.8888 2.8888 3.3006 3.3006 3.5972 3.5972 4.6225 4.6225 4.8513 4.8513 6.9416 6.9416 7.2523 7.2523 7.3083 7.3083 8.1790 8.1790 k = 0.0000 0.7646 0.0433 ( 4478 PWs) bands (ev): -9.2080 -9.2080 -9.1982 -9.1982 -9.1954 -9.1954 -9.1879 -9.1879 -8.3718 -8.3718 -8.3666 -8.3666 -8.3489 -8.3489 -8.3322 -8.3322 -8.3258 -8.3258 -8.3056 -8.3056 -7.0322 -7.0322 -6.8865 -6.8865 -0.4380 -0.4380 0.6224 0.6224 2.6179 2.6179 2.8839 2.8839 3.2912 3.2912 3.5962 3.5962 4.6166 4.6166 4.8174 4.8174 6.9690 6.9690 7.2691 7.2691 7.3357 7.3357 8.1428 8.1428 k = 0.0000 0.7646 0.0650 ( 4478 PWs) bands (ev): -9.2080 -9.2080 -9.1984 -9.1984 -9.1954 -9.1954 -9.1878 -9.1878 -8.3727 -8.3727 -8.3660 -8.3660 -8.3487 -8.3487 -8.3334 -8.3334 -8.3251 -8.3251 -8.3058 -8.3058 -7.0301 -7.0301 -6.8853 -6.8853 -0.4310 -0.4310 0.6285 0.6285 2.6023 2.6023 2.8752 2.8752 3.2765 3.2765 3.5945 3.5945 4.6066 4.6066 4.7638 4.7638 7.0120 7.0120 7.2974 7.2974 7.3804 7.3804 8.0941 8.0941 k = 0.0000 0.7646 0.0867 ( 4480 PWs) bands (ev): -9.2080 -9.2080 -9.1987 -9.1987 -9.1955 -9.1955 -9.1878 -9.1878 -8.3737 -8.3737 -8.3655 -8.3655 -8.3485 -8.3485 -8.3347 -8.3347 -8.3244 -8.3244 -8.3060 -8.3060 -7.0272 -7.0272 -6.8836 -6.8836 -0.4211 -0.4211 0.6372 0.6372 2.5809 2.5809 2.8623 2.8623 3.2576 3.2576 3.5921 3.5921 4.5914 4.5914 4.6943 4.6943 7.0678 7.0678 7.3369 7.3369 7.4410 7.4410 8.0409 8.0409 k = 0.0000 0.7646 0.1083 ( 4480 PWs) bands (ev): -9.2081 -9.2081 -9.1990 -9.1990 -9.1956 -9.1956 -9.1877 -9.1877 -8.3748 -8.3748 -8.3649 -8.3649 -8.3482 -8.3482 -8.3361 -8.3361 -8.3238 -8.3238 -8.3063 -8.3063 -7.0234 -7.0234 -6.8815 -6.8815 -0.4085 -0.4085 0.6482 0.6482 2.5541 2.5541 2.8443 2.8443 3.2359 3.2359 3.5890 3.5890 4.5657 4.5657 4.6176 4.6176 7.1337 7.1337 7.3871 7.3871 7.5155 7.5155 7.9882 7.9882 k = 0.0000 0.7646 0.1300 ( 4476 PWs) bands (ev): -9.2082 -9.2082 -9.1994 -9.1994 -9.1958 -9.1958 -9.1876 -9.1876 -8.3760 -8.3760 -8.3644 -8.3644 -8.3479 -8.3479 -8.3376 -8.3376 -8.3232 -8.3232 -8.3066 -8.3066 -7.0189 -7.0189 -6.8790 -6.8790 -0.3930 -0.3930 0.6617 0.6617 2.5221 2.5221 2.8208 2.8208 3.2128 3.2128 3.5853 3.5853 4.4992 4.4992 4.5674 4.5674 7.2072 7.2072 7.4473 7.4473 7.6012 7.6012 7.9397 7.9397 k = 0.0000 0.7646 0.1516 ( 4468 PWs) bands (ev): -9.2083 -9.2083 -9.1998 -9.1998 -9.1959 -9.1959 -9.1875 -9.1875 -8.3772 -8.3772 -8.3640 -8.3640 -8.3478 -8.3478 -8.3390 -8.3390 -8.3227 -8.3227 -8.3070 -8.3070 -7.0136 -7.0136 -6.8760 -6.8760 -0.3747 -0.3747 0.6776 0.6776 2.4856 2.4856 2.7915 2.7915 3.1890 3.1890 3.5811 3.5811 4.4012 4.4012 4.5373 4.5373 7.2864 7.2864 7.5161 7.5161 7.6935 7.6935 7.8995 7.8995 k = 0.0000 0.7646 0.1733 ( 4462 PWs) bands (ev): -9.2084 -9.2084 -9.2002 -9.2002 -9.1961 -9.1961 -9.1874 -9.1874 -8.3784 -8.3784 -8.3636 -8.3636 -8.3479 -8.3479 -8.3402 -8.3402 -8.3223 -8.3223 -8.3074 -8.3074 -7.0077 -7.0077 -6.8727 -6.8727 -0.3537 -0.3537 0.6958 0.6958 2.4448 2.4448 2.7564 2.7564 3.1652 3.1652 3.5764 3.5764 4.2949 4.2949 4.5070 4.5070 7.3690 7.3690 7.5916 7.5916 7.7795 7.7795 7.8808 7.8808 k = 0.0000 0.7646 0.1950 ( 4460 PWs) bands (ev): -9.2086 -9.2086 -9.2007 -9.2007 -9.1963 -9.1963 -9.1873 -9.1873 -8.3796 -8.3796 -8.3632 -8.3632 -8.3485 -8.3485 -8.3410 -8.3410 -8.3220 -8.3220 -8.3078 -8.3078 -7.0011 -7.0011 -6.8691 -6.8691 -0.3299 -0.3299 0.7164 0.7164 2.4004 2.4004 2.7161 2.7161 3.1413 3.1413 3.5711 3.5711 4.1851 4.1851 4.4741 4.4741 7.4511 7.4511 7.6687 7.6687 7.8159 7.8159 7.9313 7.9313 k = 0.0000 0.7646 0.2166 ( 4460 PWs) bands (ev): -9.2088 -9.2088 -9.2012 -9.2012 -9.1964 -9.1964 -9.1872 -9.1872 -8.3808 -8.3808 -8.3629 -8.3629 -8.3496 -8.3496 -8.3413 -8.3413 -8.3217 -8.3217 -8.3083 -8.3083 -6.9939 -6.9939 -6.8652 -6.8652 -0.3033 -0.3033 0.7392 0.7392 2.3527 2.3527 2.6713 2.6713 3.1169 3.1169 3.5648 3.5648 4.0749 4.0749 4.4388 4.4388 7.5238 7.5238 7.7351 7.7351 7.8449 7.8449 8.0254 8.0254 k = 0.0000 0.7646 0.2383 ( 4454 PWs) bands (ev): -9.2091 -9.2091 -9.2017 -9.2017 -9.1966 -9.1966 -9.1871 -9.1871 -8.3820 -8.3820 -8.3626 -8.3626 -8.3511 -8.3511 -8.3412 -8.3412 -8.3216 -8.3216 -8.3087 -8.3087 -6.9862 -6.9862 -6.8611 -6.8611 -0.2740 -0.2740 0.7643 0.7643 2.3023 2.3023 2.6230 2.6230 3.0912 3.0912 3.5562 3.5562 3.9671 3.9671 4.4014 4.4014 7.5711 7.5711 7.7920 7.7920 7.9165 7.9165 8.1225 8.1225 k = 0.0000 0.7646 0.2600 ( 4450 PWs) bands (ev): -9.2094 -9.2094 -9.2022 -9.2022 -9.1967 -9.1967 -9.1871 -9.1871 -8.3832 -8.3832 -8.3624 -8.3624 -8.3529 -8.3529 -8.3408 -8.3408 -8.3215 -8.3215 -8.3092 -8.3092 -6.9781 -6.9781 -6.8569 -6.8569 -0.2420 -0.2420 0.7915 0.7915 2.2496 2.2496 2.5722 2.5722 3.0633 3.0633 3.5423 3.5423 3.8661 3.8661 4.3626 4.3626 7.5869 7.5869 7.8683 7.8683 8.0121 8.0121 8.2136 8.2136 k = 0.0000 0.7646 0.2816 ( 4450 PWs) bands (ev): -9.2097 -9.2097 -9.2028 -9.2028 -9.1967 -9.1967 -9.1871 -9.1871 -8.3843 -8.3843 -8.3622 -8.3622 -8.3548 -8.3548 -8.3404 -8.3404 -8.3215 -8.3215 -8.3096 -8.3096 -6.9695 -6.9695 -6.8525 -6.8525 -0.2073 -0.2073 0.8207 0.8207 2.1950 2.1950 2.5200 2.5200 3.0323 3.0323 3.5169 3.5169 3.7794 3.7794 4.3231 4.3231 7.5847 7.5847 7.9637 7.9637 8.1168 8.1168 8.2945 8.2945 k = 0.0000 0.7646 0.3033 ( 4450 PWs) bands (ev): -9.2100 -9.2100 -9.2033 -9.2033 -9.1968 -9.1968 -9.1871 -9.1871 -8.3854 -8.3854 -8.3623 -8.3623 -8.3566 -8.3566 -8.3399 -8.3399 -8.3216 -8.3216 -8.3100 -8.3100 -6.9607 -6.9607 -6.8481 -6.8481 -0.1699 -0.1699 0.8519 0.8519 2.1392 2.1392 2.4671 2.4671 2.9973 2.9973 3.4705 3.4705 3.7175 3.7175 4.2837 4.2837 7.5766 7.5766 8.0694 8.0694 8.2256 8.2256 8.3620 8.3620 k = 0.0000 0.7646 0.3250 ( 4448 PWs) bands (ev): -9.2104 -9.2104 -9.2039 -9.2039 -9.1967 -9.1967 -9.1871 -9.1871 -8.3864 -8.3864 -8.3627 -8.3627 -8.3580 -8.3580 -8.3394 -8.3394 -8.3217 -8.3217 -8.3103 -8.3103 -6.9515 -6.9515 -6.8437 -6.8437 -0.1299 -0.1299 0.8850 0.8850 2.0823 2.0823 2.4144 2.4144 2.9575 2.9575 3.4010 3.4010 3.6837 3.6837 4.2449 4.2449 7.5679 7.5679 8.1801 8.1801 8.3344 8.3344 8.4157 8.4157 k = 0.0000 0.7646 0.3466 ( 4444 PWs) bands (ev): -9.2108 -9.2108 -9.2046 -9.2046 -9.1967 -9.1967 -9.1872 -9.1872 -8.3874 -8.3874 -8.3638 -8.3638 -8.3588 -8.3588 -8.3390 -8.3390 -8.3219 -8.3219 -8.3106 -8.3106 -6.9422 -6.9422 -6.8393 -6.8393 -0.0872 -0.0872 0.9196 0.9196 2.0249 2.0249 2.3625 2.3625 2.9121 2.9121 3.3176 3.3176 3.6695 3.6695 4.2074 4.2074 7.5607 7.5607 8.2928 8.2928 8.4229 8.4229 8.4733 8.4733 k = 0.0000 0.7646 0.3683 ( 4452 PWs) bands (ev): -9.2111 -9.2111 -9.2052 -9.2052 -9.1965 -9.1965 -9.1872 -9.1872 -8.3883 -8.3883 -8.3654 -8.3654 -8.3590 -8.3590 -8.3387 -8.3387 -8.3221 -8.3221 -8.3109 -8.3109 -6.9327 -6.9327 -6.8351 -6.8351 -0.0420 -0.0420 0.9557 0.9557 1.9673 1.9673 2.3118 2.3118 2.8607 2.8607 3.2302 3.2302 3.6659 3.6659 4.1716 4.1716 7.5560 7.5560 8.4026 8.4026 8.4549 8.4549 8.5728 8.5728 k = 0.0000 0.7646 0.3900 ( 4458 PWs) bands (ev): -9.2115 -9.2115 -9.2059 -9.2059 -9.1963 -9.1963 -9.1874 -9.1874 -8.3892 -8.3892 -8.3674 -8.3674 -8.3588 -8.3588 -8.3385 -8.3385 -8.3222 -8.3222 -8.3111 -8.3111 -6.9232 -6.9232 -6.8310 -6.8310 0.0056 0.0056 0.9928 0.9928 1.9099 1.9099 2.2630 2.2630 2.8033 2.8033 3.1438 3.1438 3.6681 3.6681 4.1379 4.1379 7.5541 7.5541 8.4452 8.4452 8.5272 8.5272 8.6808 8.6808 k = 0.0000 0.7646 0.4116 ( 4458 PWs) bands (ev): -9.2119 -9.2119 -9.2065 -9.2065 -9.1961 -9.1961 -9.1875 -9.1875 -8.3899 -8.3899 -8.3694 -8.3694 -8.3585 -8.3585 -8.3385 -8.3385 -8.3222 -8.3222 -8.3114 -8.3114 -6.9137 -6.9137 -6.8272 -6.8272 0.0558 0.0558 1.0305 1.0305 1.8531 1.8531 2.2162 2.2162 2.7407 2.7407 3.0608 3.0608 3.6740 3.6740 4.1066 4.1066 7.5552 7.5552 8.4334 8.4334 8.6367 8.6367 8.7869 8.7869 k = 0.0000 0.7646 0.4333 ( 4452 PWs) bands (ev): -9.2123 -9.2123 -9.2072 -9.2072 -9.1959 -9.1959 -9.1877 -9.1877 -8.3906 -8.3906 -8.3715 -8.3715 -8.3581 -8.3581 -8.3387 -8.3387 -8.3221 -8.3221 -8.3116 -8.3116 -6.9044 -6.9044 -6.8236 -6.8236 0.1083 0.1083 1.0682 1.0682 1.7974 1.7974 2.1719 2.1719 2.6741 2.6741 2.9817 2.9817 3.6824 3.6824 4.0776 4.0776 7.5594 7.5594 8.4082 8.4082 8.7451 8.7451 8.8889 8.8889 k = 0.0000 0.7646 0.4549 ( 4450 PWs) bands (ev): -9.2126 -9.2126 -9.2079 -9.2079 -9.1956 -9.1956 -9.1878 -9.1878 -8.3912 -8.3912 -8.3735 -8.3735 -8.3576 -8.3576 -8.3390 -8.3390 -8.3220 -8.3220 -8.3118 -8.3118 -6.8951 -6.8951 -6.8204 -6.8204 0.1631 0.1631 1.1049 1.1049 1.7437 1.7437 2.1300 2.1300 2.6057 2.6057 2.9063 2.9063 3.6925 3.6925 4.0509 4.0509 7.5667 7.5667 8.3738 8.3738 8.8498 8.8498 8.9852 8.9852 k = 0.0000 0.7646 0.4766 ( 4448 PWs) bands (ev): -9.2129 -9.2129 -9.2085 -9.2085 -9.1953 -9.1953 -9.1881 -9.1881 -8.3917 -8.3917 -8.3754 -8.3754 -8.3570 -8.3570 -8.3395 -8.3395 -8.3217 -8.3217 -8.3121 -8.3121 -6.8861 -6.8861 -6.8177 -6.8177 0.2200 0.2200 1.1390 1.1390 1.6931 1.6931 2.0907 2.0907 2.5376 2.5376 2.8340 2.8340 3.7039 3.7039 4.0263 4.0263 7.5772 7.5772 8.3329 8.3329 8.9495 8.9495 9.0747 9.0747 k = 0.0000 0.7646 0.4983 ( 4442 PWs) bands (ev): -9.2131 -9.2131 -9.2092 -9.2092 -9.1949 -9.1949 -9.1883 -9.1883 -8.3920 -8.3920 -8.3773 -8.3773 -8.3564 -8.3564 -8.3401 -8.3401 -8.3213 -8.3213 -8.3123 -8.3123 -6.8774 -6.8774 -6.8153 -6.8153 0.2791 0.2791 1.1680 1.1680 1.6479 1.6479 2.0537 2.0537 2.4721 2.4721 2.7641 2.7641 3.7164 3.7164 4.0038 4.0038 7.5909 7.5909 8.2873 8.2873 9.0430 9.0430 9.1566 9.1566 k = 0.0000 0.7646 0.5199 ( 4448 PWs) bands (ev): -9.2134 -9.2134 -9.2098 -9.2098 -9.1946 -9.1946 -9.1886 -9.1886 -8.3923 -8.3923 -8.3791 -8.3791 -8.3558 -8.3558 -8.3409 -8.3409 -8.3208 -8.3208 -8.3126 -8.3126 -6.8691 -6.8691 -6.8135 -6.8135 0.3402 0.3402 1.1884 1.1884 1.6113 1.6113 2.0188 2.0188 2.4115 2.4115 2.6965 2.6965 3.7297 3.7297 3.9829 3.9829 7.6076 7.6076 8.2387 8.2387 9.1294 9.1294 9.2301 9.2301 k = 0.0000 0.7646 0.5416 ( 4444 PWs) bands (ev): -9.2135 -9.2135 -9.2104 -9.2104 -9.1942 -9.1942 -9.1888 -9.1888 -8.3924 -8.3924 -8.3809 -8.3809 -8.3550 -8.3550 -8.3418 -8.3418 -8.3203 -8.3203 -8.3130 -8.3130 -6.8611 -6.8611 -6.8122 -6.8122 0.4030 0.4030 1.1951 1.1951 1.5878 1.5878 1.9855 1.9855 2.3578 2.3578 2.6310 2.6310 3.7436 3.7436 3.9634 3.9634 7.6275 7.6275 8.1884 8.1884 9.2077 9.2077 9.2948 9.2948 k = 0.0000 0.7646 0.5633 ( 4446 PWs) bands (ev): -9.2137 -9.2137 -9.2109 -9.2109 -9.1938 -9.1938 -9.1891 -9.1891 -8.3924 -8.3924 -8.3825 -8.3825 -8.3543 -8.3543 -8.3427 -8.3427 -8.3198 -8.3198 -8.3133 -8.3133 -6.8537 -6.8537 -6.8115 -6.8115 0.4674 0.4674 1.1842 1.1842 1.5808 1.5808 1.9529 1.9529 2.3129 2.3129 2.5679 2.5679 3.7579 3.7579 3.9451 3.9451 7.6506 7.6506 8.1373 8.1373 9.2772 9.2772 9.3504 9.3504 k = 0.0000 0.7646 0.5849 ( 4448 PWs) bands (ev): -9.2137 -9.2137 -9.2114 -9.2114 -9.1934 -9.1934 -9.1895 -9.1895 -8.3923 -8.3923 -8.3840 -8.3840 -8.3535 -8.3535 -8.3437 -8.3437 -8.3192 -8.3192 -8.3137 -8.3137 -6.8467 -6.8467 -6.8114 -6.8114 0.5332 0.5332 1.1556 1.1556 1.5902 1.5902 1.9205 1.9205 2.2784 2.2784 2.5077 2.5077 3.7726 3.7726 3.9278 3.9278 7.6766 7.6766 8.0863 8.0863 9.3374 9.3374 9.3967 9.3967 k = 0.0000 0.7646 0.6066 ( 4444 PWs) bands (ev): -9.2138 -9.2138 -9.2119 -9.2119 -9.1930 -9.1930 -9.1898 -9.1898 -8.3920 -8.3920 -8.3854 -8.3854 -8.3526 -8.3526 -8.3447 -8.3447 -8.3185 -8.3185 -8.3141 -8.3141 -6.8403 -6.8403 -6.8120 -6.8120 0.6002 0.6002 1.1127 1.1127 1.6120 1.6120 1.8876 1.8876 2.2554 2.2554 2.4511 2.4511 3.7875 3.7875 3.9111 3.9111 7.7058 7.7058 8.0361 8.0361 9.3877 9.3877 9.4338 9.4338 k = 0.0000 0.7646 0.6283 ( 4446 PWs) bands (ev): -9.2137 -9.2137 -9.2123 -9.2123 -9.1926 -9.1926 -9.1902 -9.1902 -8.3916 -8.3916 -8.3866 -8.3866 -8.3517 -8.3517 -8.3457 -8.3457 -8.3179 -8.3179 -8.3146 -8.3146 -6.8345 -6.8345 -6.8132 -6.8132 0.6679 0.6679 1.0599 1.0599 1.6416 1.6416 1.8539 1.8539 2.2444 2.2444 2.3989 2.3989 3.8026 3.8026 3.8950 3.8950 7.7379 7.7379 7.9870 7.9870 9.4280 9.4280 9.4616 9.4616 k = 0.0000 0.7646 0.6499 ( 4452 PWs) bands (ev): -9.2136 -9.2136 -9.2127 -9.2127 -9.1922 -9.1922 -9.1906 -9.1906 -8.3911 -8.3911 -8.3878 -8.3878 -8.3508 -8.3508 -8.3468 -8.3468 -8.3173 -8.3173 -8.3151 -8.3151 -6.8293 -6.8293 -6.8151 -6.8151 0.7361 0.7361 1.0007 1.0007 1.6754 1.6754 1.8191 1.8191 2.2454 2.2454 2.3523 2.3523 3.8178 3.8178 3.8792 3.8792 7.7730 7.7730 7.9397 7.9397 9.4582 9.4582 9.4800 9.4800 k = 0.0000 0.7646 0.6716 ( 4446 PWs) bands (ev): -9.2135 -9.2135 -9.2130 -9.2130 -9.1917 -9.1917 -9.1909 -9.1909 -8.3905 -8.3905 -8.3888 -8.3888 -8.3498 -8.3498 -8.3478 -8.3478 -8.3167 -8.3167 -8.3156 -8.3156 -6.8247 -6.8247 -6.8176 -6.8176 0.8042 0.8042 0.9374 0.9374 1.7112 1.7112 1.7836 1.7836 2.2577 2.2577 2.3123 2.3123 3.8330 3.8330 3.8637 3.8637 7.8108 7.8108 7.8944 7.8944 9.4783 9.4783 9.4891 9.4891 k = 0.0000 0.7646 0.6933 ( 4444 PWs) bands (ev): -9.2133 -9.2133 -9.2133 -9.2133 -9.1913 -9.1913 -9.1913 -9.1913 -8.3897 -8.3897 -8.3897 -8.3897 -8.3488 -8.3488 -8.3488 -8.3488 -8.3161 -8.3161 -8.3161 -8.3161 -6.8208 -6.8208 -6.8208 -6.8208 0.8715 0.8715 0.8715 0.8715 1.7475 1.7475 1.7475 1.7475 2.2804 2.2804 2.2804 2.2804 3.8483 3.8483 3.8483 3.8483 7.8513 7.8513 7.8513 7.8513 9.4886 9.4886 9.4886 9.4886 k = 0.0000 0.7646 0.6933 ( 4444 PWs) bands (ev): -9.2133 -9.2133 -9.2133 -9.2133 -9.1913 -9.1913 -9.1913 -9.1913 -8.3897 -8.3897 -8.3897 -8.3897 -8.3488 -8.3488 -8.3488 -8.3488 -8.3161 -8.3161 -8.3161 -8.3161 -6.8208 -6.8208 -6.8208 -6.8208 0.8715 0.8715 0.8715 0.8715 1.7475 1.7475 1.7475 1.7475 2.2804 2.2804 2.2804 2.2804 3.8483 3.8483 3.8483 3.8483 7.8513 7.8513 7.8513 7.8513 9.4886 9.4886 9.4886 9.4886 k = 0.0203 0.7646 0.6933 ( 4446 PWs) bands (ev): -9.2136 -9.2136 -9.2129 -9.2129 -9.1919 -9.1919 -9.1908 -9.1908 -8.3907 -8.3907 -8.3887 -8.3887 -8.3491 -8.3491 -8.3486 -8.3486 -8.3166 -8.3166 -8.3157 -8.3157 -6.8210 -6.8210 -6.8207 -6.8207 0.8649 0.8649 0.8785 0.8785 1.7265 1.7265 1.7542 1.7542 2.2880 2.2880 2.2909 2.2909 3.8379 3.8379 3.8565 3.8565 7.8391 7.8391 7.8627 7.8627 9.4845 9.4845 9.4953 9.4953 k = 0.0407 0.7646 0.6933 ( 4442 PWs) bands (ev): -9.2139 -9.2139 -9.2125 -9.2125 -9.1924 -9.1924 -9.1903 -9.1903 -8.3915 -8.3915 -8.3877 -8.3877 -8.3493 -8.3493 -8.3484 -8.3484 -8.3170 -8.3170 -8.3153 -8.3153 -6.8213 -6.8213 -6.8207 -6.8207 0.8585 0.8585 0.8858 0.8858 1.6939 1.6939 1.7470 1.7470 2.3136 2.3136 2.3169 2.3169 3.8252 3.8252 3.8626 3.8626 7.8260 7.8260 7.8730 7.8730 9.4833 9.4833 9.5046 9.5046 k = 0.0610 0.7646 0.6933 ( 4442 PWs) bands (ev): -9.2142 -9.2142 -9.2122 -9.2122 -9.1929 -9.1929 -9.1899 -9.1899 -8.3924 -8.3924 -8.3867 -8.3867 -8.3496 -8.3496 -8.3482 -8.3482 -8.3174 -8.3174 -8.3149 -8.3149 -6.8216 -6.8216 -6.8208 -6.8208 0.8523 0.8523 0.8933 0.8933 1.6536 1.6536 1.7288 1.7288 2.3542 2.3542 2.3543 2.3543 3.8106 3.8106 3.8667 3.8667 7.8121 7.8121 7.8818 7.8818 9.4849 9.4849 9.5164 9.5164 k = 0.0813 0.7646 0.6933 ( 4448 PWs) bands (ev): -9.2145 -9.2145 -9.2118 -9.2118 -9.1934 -9.1934 -9.1894 -9.1894 -8.3931 -8.3931 -8.3857 -8.3857 -8.3499 -8.3499 -8.3481 -8.3481 -8.3178 -8.3178 -8.3145 -8.3145 -6.8220 -6.8220 -6.8209 -6.8209 0.8461 0.8461 0.9009 0.9009 1.6094 1.6094 1.7037 1.7037 2.3990 2.3990 2.4058 2.4058 3.7940 3.7940 3.8691 3.8691 7.7976 7.7976 7.8889 7.8889 9.4894 9.4894 9.5304 9.5304 k = 0.1017 0.7646 0.6933 ( 4450 PWs) bands (ev): -9.2147 -9.2147 -9.2114 -9.2114 -9.1939 -9.1939 -9.1890 -9.1890 -8.3938 -8.3938 -8.3846 -8.3846 -8.3502 -8.3502 -8.3479 -8.3479 -8.3182 -8.3182 -8.3141 -8.3141 -6.8225 -6.8225 -6.8212 -6.8212 0.8398 0.8398 0.9083 0.9083 1.5640 1.5640 1.6753 1.6753 2.4484 2.4484 2.4646 2.4646 3.7760 3.7760 3.8702 3.8702 7.7822 7.7822 7.8940 7.8940 9.4967 9.4967 9.5464 9.5464 k = 0.1220 0.7646 0.6933 ( 4448 PWs) bands (ev): -9.2149 -9.2149 -9.2109 -9.2109 -9.1944 -9.1944 -9.1886 -9.1886 -8.3943 -8.3943 -8.3836 -8.3836 -8.3505 -8.3505 -8.3478 -8.3478 -8.3185 -8.3185 -8.3138 -8.3138 -6.8231 -6.8231 -6.8215 -6.8215 0.8330 0.8330 0.9151 0.9151 1.5196 1.5196 1.6462 1.6462 2.5001 2.5001 2.5276 2.5276 3.7570 3.7570 3.8703 3.8703 7.7659 7.7659 7.8966 7.8966 9.5067 9.5067 9.5640 9.5640 k = 0.1423 0.7646 0.6933 ( 4448 PWs) bands (ev): -9.2151 -9.2151 -9.2105 -9.2105 -9.1949 -9.1949 -9.1883 -9.1883 -8.3948 -8.3948 -8.3826 -8.3826 -8.3509 -8.3509 -8.3477 -8.3477 -8.3188 -8.3188 -8.3134 -8.3134 -6.8237 -6.8237 -6.8219 -6.8219 0.8257 0.8257 0.9208 0.9208 1.4781 1.4781 1.6184 1.6184 2.5523 2.5523 2.5927 2.5927 3.7375 3.7375 3.8701 3.8701 7.7488 7.7488 7.8964 7.8964 9.5190 9.5190 9.5829 9.5829 k = 0.1627 0.7646 0.6933 ( 4450 PWs) bands (ev): -9.2152 -9.2152 -9.2101 -9.2101 -9.1953 -9.1953 -9.1880 -9.1880 -8.3952 -8.3952 -8.3817 -8.3817 -8.3512 -8.3512 -8.3476 -8.3476 -8.3191 -8.3191 -8.3131 -8.3131 -6.8244 -6.8244 -6.8225 -6.8225 0.8176 0.8176 0.9245 0.9245 1.4410 1.4410 1.5932 1.5932 2.6034 2.6034 2.6577 2.6577 3.7184 3.7184 3.8702 3.8702 7.7307 7.7307 7.8933 7.8933 9.5333 9.5333 9.6023 9.6023 k = 0.1830 0.7646 0.6933 ( 4450 PWs) bands (ev): -9.2153 -9.2153 -9.2098 -9.2098 -9.1957 -9.1957 -9.1877 -9.1877 -8.3955 -8.3955 -8.3809 -8.3809 -8.3515 -8.3515 -8.3475 -8.3475 -8.3194 -8.3194 -8.3129 -8.3129 -6.8252 -6.8252 -6.8231 -6.8231 0.8086 0.8086 0.9255 0.9255 1.4096 1.4096 1.5716 1.5716 2.6520 2.6520 2.7211 2.7211 3.7006 3.7006 3.8711 3.8711 7.7117 7.7117 7.8869 7.8869 9.5485 9.5485 9.6216 9.6216 k = 0.2033 0.7646 0.6933 ( 4444 PWs) bands (ev): -9.2154 -9.2154 -9.2094 -9.2094 -9.1960 -9.1960 -9.1875 -9.1875 -8.3956 -8.3956 -8.3802 -8.3802 -8.3517 -8.3517 -8.3474 -8.3474 -8.3195 -8.3195 -8.3127 -8.3127 -6.8260 -6.8260 -6.8238 -6.8238 0.7985 0.7985 0.9230 0.9230 1.3854 1.3854 1.5541 1.5541 2.6969 2.6969 2.7808 2.7808 3.6853 3.6853 3.8736 3.8736 7.6921 7.6921 7.8774 7.8774 9.5639 9.5639 9.6397 9.6397 k = 0.2236 0.7646 0.6933 ( 4442 PWs) bands (ev): -9.2155 -9.2155 -9.2091 -9.2091 -9.1963 -9.1963 -9.1873 -9.1873 -8.3957 -8.3957 -8.3796 -8.3796 -8.3520 -8.3520 -8.3474 -8.3474 -8.3197 -8.3197 -8.3125 -8.3125 -6.8269 -6.8269 -6.8247 -6.8247 0.7875 0.7875 0.9162 0.9162 1.3691 1.3691 1.5411 1.5411 2.7370 2.7370 2.8350 2.8350 3.6739 3.6739 3.8781 3.8781 7.6719 7.6719 7.8648 7.8648 9.5780 9.5780 9.6555 9.6555 k = 0.2440 0.7646 0.6933 ( 4438 PWs) bands (ev): -9.2155 -9.2155 -9.2088 -9.2088 -9.1964 -9.1964 -9.1872 -9.1872 -8.3957 -8.3957 -8.3791 -8.3791 -8.3521 -8.3521 -8.3473 -8.3473 -8.3198 -8.3198 -8.3124 -8.3124 -6.8278 -6.8278 -6.8256 -6.8256 0.7754 0.7754 0.9051 0.9051 1.3613 1.3613 1.5329 1.5329 2.7714 2.7714 2.8817 2.8817 3.6678 3.6678 3.8850 3.8850 7.6518 7.6518 7.8496 7.8496 9.5894 9.5894 9.6677 9.6677 k = 0.2643 0.7646 0.6933 ( 4436 PWs) bands (ev): -9.2155 -9.2155 -9.2086 -9.2086 -9.1965 -9.1965 -9.1871 -9.1871 -8.3955 -8.3955 -8.3787 -8.3787 -8.3523 -8.3523 -8.3473 -8.3473 -8.3198 -8.3198 -8.3124 -8.3124 -6.8288 -6.8288 -6.8266 -6.8266 0.7626 0.7626 0.8899 0.8899 1.3618 1.3618 1.5294 1.5294 2.7993 2.7993 2.9190 2.9190 3.6686 3.6686 3.8947 3.8947 7.6321 7.6321 7.8322 7.8322 9.5966 9.5966 9.6751 9.6751 k = 0.2846 0.7646 0.6933 ( 4436 PWs) bands (ev): -9.2155 -9.2155 -9.2085 -9.2085 -9.1966 -9.1966 -9.1871 -9.1871 -8.3953 -8.3953 -8.3786 -8.3786 -8.3523 -8.3523 -8.3472 -8.3472 -8.3198 -8.3198 -8.3124 -8.3124 -6.8298 -6.8298 -6.8277 -6.8277 0.7492 0.7492 0.8715 0.8715 1.3698 1.3698 1.5306 1.5306 2.8204 2.8204 2.9457 2.9457 3.6770 3.6770 3.9069 3.9069 7.6135 7.6135 7.8132 7.8132 9.5983 9.5983 9.6767 9.6767 k = 0.2846 0.7646 0.6933 ( 4436 PWs) bands (ev): -9.2155 -9.2155 -9.2085 -9.2085 -9.1966 -9.1966 -9.1871 -9.1871 -8.3953 -8.3953 -8.3786 -8.3786 -8.3523 -8.3523 -8.3472 -8.3472 -8.3198 -8.3198 -8.3124 -8.3124 -6.8298 -6.8298 -6.8277 -6.8277 0.7492 0.7492 0.8715 0.8715 1.3698 1.3698 1.5306 1.5306 2.8204 2.8204 2.9457 2.9457 3.6770 3.6770 3.9069 3.9069 7.6135 7.6135 7.8132 7.8132 9.5983 9.5983 9.6767 9.6767 k = 0.2772 0.7445 0.6933 ( 4434 PWs) bands (ev): -9.2156 -9.2156 -9.2088 -9.2088 -9.1966 -9.1966 -9.1871 -9.1871 -8.3962 -8.3962 -8.3788 -8.3788 -8.3523 -8.3523 -8.3473 -8.3473 -8.3199 -8.3199 -8.3123 -8.3123 -6.8269 -6.8269 -6.8245 -6.8245 0.7876 0.7876 0.9292 0.9292 1.3386 1.3386 1.5252 1.5252 2.7684 2.7684 2.8830 2.8830 3.6403 3.6403 3.8673 3.8673 7.6667 7.6667 7.8717 7.8717 9.6026 9.6026 9.6820 9.6820 k = 0.2697 0.7244 0.6933 ( 4434 PWs) bands (ev): -9.2157 -9.2157 -9.2091 -9.2091 -9.1967 -9.1967 -9.1871 -9.1871 -8.3969 -8.3969 -8.3789 -8.3789 -8.3523 -8.3523 -8.3473 -8.3473 -8.3200 -8.3200 -8.3123 -8.3123 -6.8248 -6.8248 -6.8221 -6.8221 0.8196 0.8196 0.9809 0.9809 1.3167 1.3167 1.5301 1.5301 2.7195 2.7195 2.8227 2.8227 3.6051 3.6051 3.8292 3.8292 7.7187 7.7187 7.9290 7.9290 9.6064 9.6064 9.6874 9.6874 k = 0.2622 0.7043 0.6933 ( 4438 PWs) bands (ev): -9.2157 -9.2157 -9.2094 -9.2094 -9.1968 -9.1968 -9.1871 -9.1871 -8.3976 -8.3976 -8.3789 -8.3789 -8.3523 -8.3523 -8.3473 -8.3473 -8.3201 -8.3201 -8.3123 -8.3123 -6.8233 -6.8233 -6.8203 -6.8203 0.8445 0.8445 1.0210 1.0210 1.3091 1.3091 1.5460 1.5460 2.6744 2.6744 2.7654 2.7654 3.5711 3.5711 3.7926 3.7926 7.7694 7.7694 7.9851 7.9851 9.6094 9.6094 9.6924 9.6924 k = 0.2547 0.6842 0.6933 ( 4430 PWs) bands (ev): -9.2156 -9.2156 -9.2096 -9.2096 -9.1969 -9.1969 -9.1871 -9.1871 -8.3982 -8.3982 -8.3788 -8.3788 -8.3523 -8.3523 -8.3473 -8.3473 -8.3203 -8.3203 -8.3124 -8.3124 -6.8226 -6.8226 -6.8193 -6.8193 0.8615 0.8615 1.0433 1.0433 1.3211 1.3211 1.5729 1.5729 2.6341 2.6341 2.7116 2.7116 3.5385 3.5385 3.7574 3.7574 7.8185 7.8185 8.0398 8.0398 9.6111 9.6111 9.6966 9.6966 k = 0.2472 0.6640 0.6933 ( 4424 PWs) bands (ev): -9.2155 -9.2155 -9.2097 -9.2097 -9.1969 -9.1969 -9.1871 -9.1871 -8.3986 -8.3986 -8.3785 -8.3785 -8.3523 -8.3523 -8.3473 -8.3473 -8.3204 -8.3204 -8.3124 -8.3124 -6.8227 -6.8227 -6.8190 -6.8190 0.8712 0.8712 1.0466 1.0466 1.3534 1.3534 1.6101 1.6101 2.5994 2.5994 2.6618 2.6618 3.5074 3.5074 3.7235 3.7235 7.8660 7.8660 8.0930 8.0930 9.6108 9.6108 9.6992 9.6992 k = 0.2397 0.6439 0.6933 ( 4424 PWs) bands (ev): -9.2154 -9.2154 -9.2098 -9.2098 -9.1970 -9.1970 -9.1871 -9.1871 -8.3989 -8.3989 -8.3781 -8.3781 -8.3523 -8.3523 -8.3473 -8.3473 -8.3206 -8.3206 -8.3125 -8.3125 -6.8234 -6.8234 -6.8195 -6.8195 0.8741 0.8741 1.0361 1.0361 1.3998 1.3998 1.6563 1.6563 2.5714 2.5714 2.6166 2.6166 3.4779 3.4779 3.6912 3.6912 7.9117 7.9117 8.1443 8.1443 9.6080 9.6080 9.6996 9.6996 k = 0.2322 0.6238 0.6933 ( 4424 PWs) bands (ev): -9.2152 -9.2152 -9.2098 -9.2098 -9.1971 -9.1971 -9.1871 -9.1871 -8.3991 -8.3991 -8.3776 -8.3776 -8.3524 -8.3524 -8.3472 -8.3472 -8.3208 -8.3208 -8.3126 -8.3126 -6.8250 -6.8250 -6.8207 -6.8207 0.8713 0.8713 1.0177 1.0177 1.4534 1.4534 1.7099 1.7099 2.5511 2.5511 2.5762 2.5762 3.4504 3.4504 3.6603 3.6603 7.9553 7.9553 8.1937 8.1937 9.6021 9.6021 9.6970 9.6970 k = 0.2247 0.6037 0.6933 ( 4432 PWs) bands (ev): -9.2150 -9.2150 -9.2098 -9.2098 -9.1972 -9.1972 -9.1871 -9.1871 -8.3991 -8.3991 -8.3769 -8.3769 -8.3524 -8.3524 -8.3471 -8.3471 -8.3210 -8.3210 -8.3128 -8.3128 -6.8272 -6.8272 -6.8227 -6.8227 0.8639 0.8639 0.9949 0.9949 1.5095 1.5095 1.7691 1.7691 2.5394 2.5394 2.5411 2.5411 3.4252 3.4252 3.6311 3.6311 7.9965 7.9965 8.2406 8.2406 9.5925 9.5925 9.6907 9.6907 k = 0.2172 0.5835 0.6933 ( 4436 PWs) bands (ev): -9.2148 -9.2148 -9.2098 -9.2098 -9.1972 -9.1972 -9.1870 -9.1870 -8.3991 -8.3991 -8.3762 -8.3762 -8.3525 -8.3525 -8.3470 -8.3470 -8.3212 -8.3212 -8.3129 -8.3129 -6.8302 -6.8302 -6.8254 -6.8254 0.8528 0.8528 0.9699 0.9699 1.5652 1.5652 1.8324 1.8324 2.5116 2.5116 2.5373 2.5373 3.4027 3.4027 3.6037 3.6037 8.0349 8.0349 8.2848 8.2848 9.5786 9.5786 9.6801 9.6801 k = 0.2097 0.5634 0.6933 ( 4438 PWs) bands (ev): -9.2145 -9.2145 -9.2096 -9.2096 -9.1973 -9.1973 -9.1870 -9.1870 -8.3989 -8.3989 -8.3753 -8.3753 -8.3526 -8.3526 -8.3469 -8.3469 -8.3214 -8.3214 -8.3131 -8.3131 -6.8338 -6.8338 -6.8288 -6.8288 0.8387 0.8387 0.9433 0.9433 1.6185 1.6185 1.8983 1.8983 2.4880 2.4880 2.5456 2.5456 3.3835 3.3835 3.5784 3.5784 8.0701 8.0701 8.3257 8.3257 9.5601 9.5601 9.6645 9.6645 k = 0.2022 0.5433 0.6933 ( 4434 PWs) bands (ev): -9.2142 -9.2142 -9.2094 -9.2094 -9.1974 -9.1974 -9.1870 -9.1870 -8.3985 -8.3985 -8.3743 -8.3743 -8.3527 -8.3527 -8.3468 -8.3468 -8.3216 -8.3216 -8.3133 -8.3133 -6.8380 -6.8380 -6.8328 -6.8328 0.8221 0.8221 0.9157 0.9157 1.6682 1.6682 1.9653 1.9653 2.4705 2.4705 2.5647 2.5647 3.3683 3.3683 3.5554 3.5554 8.1016 8.1016 8.3626 8.3626 9.5367 9.5367 9.6433 9.6433 k = 0.1948 0.5232 0.6933 ( 4430 PWs) bands (ev): -9.2138 -9.2138 -9.2092 -9.2092 -9.1975 -9.1975 -9.1870 -9.1870 -8.3981 -8.3981 -8.3732 -8.3732 -8.3529 -8.3529 -8.3466 -8.3466 -8.3219 -8.3219 -8.3136 -8.3136 -6.8429 -6.8429 -6.8375 -6.8375 0.8035 0.8035 0.8874 0.8874 1.7137 1.7137 2.0321 2.0321 2.4590 2.4590 2.5946 2.5946 3.3580 3.3580 3.5351 3.5351 8.1288 8.1288 8.3948 8.3948 9.5081 9.5081 9.6162 9.6162 k = 0.1873 0.5031 0.6933 ( 4430 PWs) bands (ev): -9.2135 -9.2135 -9.2089 -9.2089 -9.1976 -9.1976 -9.1870 -9.1870 -8.3975 -8.3975 -8.3719 -8.3719 -8.3530 -8.3530 -8.3465 -8.3465 -8.3221 -8.3221 -8.3138 -8.3138 -6.8483 -6.8483 -6.8427 -6.8427 0.7831 0.7831 0.8584 0.8584 1.7550 1.7550 2.0971 2.0971 2.4537 2.4537 2.6347 2.6347 3.3534 3.3534 3.5179 3.5179 8.1508 8.1508 8.4213 8.4213 9.4743 9.4743 9.5828 9.5828 k = 0.1798 0.4829 0.6933 ( 4426 PWs) bands (ev): -9.2131 -9.2131 -9.2086 -9.2086 -9.1976 -9.1976 -9.1870 -9.1870 -8.3968 -8.3968 -8.3706 -8.3706 -8.3532 -8.3532 -8.3463 -8.3463 -8.3224 -8.3224 -8.3141 -8.3141 -6.8542 -6.8542 -6.8484 -6.8484 0.7613 0.7613 0.8289 0.8289 1.7924 1.7924 2.1591 2.1591 2.4545 2.4545 2.6838 2.6838 3.3558 3.3558 3.5045 3.5045 8.1671 8.1671 8.4411 8.4411 9.4353 9.4353 9.5428 9.5428 k = 0.1723 0.4628 0.6933 ( 4422 PWs) bands (ev): -9.2126 -9.2126 -9.2082 -9.2082 -9.1977 -9.1977 -9.1870 -9.1870 -8.3960 -8.3960 -8.3692 -8.3692 -8.3534 -8.3534 -8.3461 -8.3461 -8.3227 -8.3227 -8.3144 -8.3144 -6.8606 -6.8606 -6.8547 -6.8547 0.7384 0.7384 0.7990 0.7990 1.8265 1.8265 2.2167 2.2167 2.4610 2.4610 2.7401 2.7401 3.3662 3.3662 3.4956 3.4956 8.1767 8.1767 8.4530 8.4530 9.3912 9.3912 9.4962 9.4962 k = 0.1648 0.4427 0.6933 ( 4430 PWs) bands (ev): -9.2122 -9.2122 -9.2077 -9.2077 -9.1978 -9.1978 -9.1870 -9.1870 -8.3951 -8.3951 -8.3677 -8.3677 -8.3537 -8.3537 -8.3459 -8.3459 -8.3230 -8.3230 -8.3148 -8.3148 -6.8673 -6.8673 -6.8613 -6.8613 0.7144 0.7144 0.7689 0.7689 1.8580 1.8580 2.2684 2.2684 2.4733 2.4733 2.8017 2.8017 3.3857 3.3857 3.4922 3.4922 8.1788 8.1788 8.4557 8.4557 9.3420 9.3420 9.4430 9.4430 k = 0.1573 0.4226 0.6933 ( 4430 PWs) bands (ev): -9.2118 -9.2118 -9.2073 -9.2073 -9.1979 -9.1979 -9.1870 -9.1870 -8.3941 -8.3941 -8.3662 -8.3662 -8.3539 -8.3539 -8.3456 -8.3456 -8.3233 -8.3233 -8.3151 -8.3151 -6.8744 -6.8744 -6.8684 -6.8684 0.6898 0.6898 0.7386 0.7386 1.8876 1.8876 2.3133 2.3133 2.4910 2.4910 2.8661 2.8661 3.4152 3.4152 3.4957 3.4957 8.1727 8.1727 8.4480 8.4480 9.2878 9.2878 9.3832 9.3832 k = 0.1498 0.4024 0.6933 ( 4438 PWs) bands (ev): -9.2113 -9.2113 -9.2068 -9.2068 -9.1980 -9.1980 -9.1870 -9.1870 -8.3930 -8.3930 -8.3645 -8.3645 -8.3542 -8.3542 -8.3453 -8.3453 -8.3236 -8.3236 -8.3155 -8.3155 -6.8818 -6.8818 -6.8757 -6.8757 0.6647 0.6647 0.7085 0.7085 1.9158 1.9158 2.3501 2.3501 2.5144 2.5144 2.9306 2.9306 3.4549 3.4549 3.5075 3.5075 8.1577 8.1577 8.4289 8.4289 9.2286 9.2286 9.3171 9.3171 k = 0.1423 0.3823 0.6933 ( 4434 PWs) bands (ev): -9.2108 -9.2108 -9.2062 -9.2062 -9.1980 -9.1980 -9.1870 -9.1870 -8.3918 -8.3918 -8.3629 -8.3629 -8.3545 -8.3545 -8.3450 -8.3450 -8.3239 -8.3239 -8.3159 -8.3159 -6.8893 -6.8893 -6.8833 -6.8833 0.6394 0.6394 0.6787 0.6787 1.9431 1.9431 2.3784 2.3784 2.5435 2.5435 2.9925 2.9925 3.5049 3.5049 3.5297 3.5297 8.1334 8.1334 8.3979 8.3979 9.1644 9.1644 9.2451 9.2451 k = 0.1348 0.3622 0.6933 ( 4426 PWs) bands (ev): -9.2104 -9.2104 -9.2057 -9.2057 -9.1981 -9.1981 -9.1871 -9.1871 -8.3906 -8.3906 -8.3612 -8.3612 -8.3548 -8.3548 -8.3447 -8.3447 -8.3242 -8.3242 -8.3163 -8.3163 -6.8970 -6.8970 -6.8910 -6.8910 0.6141 0.6141 0.6492 0.6492 1.9695 1.9695 2.3983 2.3983 2.5782 2.5782 3.0490 3.0490 3.5641 3.5641 3.5645 3.5645 8.0996 8.0996 8.3549 8.3549 9.0952 9.0952 9.1676 9.1676 k = 0.1273 0.3421 0.6933 ( 4430 PWs) bands (ev): -9.2099 -9.2099 -9.2051 -9.2051 -9.1981 -9.1981 -9.1871 -9.1871 -8.3893 -8.3893 -8.3595 -8.3595 -8.3551 -8.3551 -8.3443 -8.3443 -8.3245 -8.3245 -8.3167 -8.3167 -6.9048 -6.9048 -6.8988 -6.8988 0.5891 0.5891 0.6205 0.6205 1.9952 1.9952 2.4107 2.4107 2.6179 2.6179 3.0986 3.0986 3.6115 3.6115 3.6325 3.6325 8.0565 8.0565 8.3003 8.3003 9.0212 9.0212 9.0855 9.0855 k = 0.1199 0.3220 0.6933 ( 4422 PWs) bands (ev): -9.2094 -9.2094 -9.2045 -9.2045 -9.1982 -9.1982 -9.1872 -9.1872 -8.3879 -8.3879 -8.3578 -8.3578 -8.3553 -8.3553 -8.3440 -8.3440 -8.3248 -8.3248 -8.3172 -8.3172 -6.9126 -6.9126 -6.9067 -6.9067 0.5644 0.5644 0.5925 0.5925 2.0201 2.0201 2.4168 2.4168 2.6618 2.6618 3.1409 3.1409 3.6716 3.6716 3.7077 3.7077 8.0048 8.0048 8.2354 8.2354 8.9428 8.9428 8.9995 8.9995 k = 0.1124 0.3018 0.6933 ( 4434 PWs) bands (ev): -9.2090 -9.2090 -9.2040 -9.2040 -9.1981 -9.1981 -9.1872 -9.1872 -8.3865 -8.3865 -8.3567 -8.3567 -8.3551 -8.3551 -8.3436 -8.3436 -8.3251 -8.3251 -8.3177 -8.3177 -6.9203 -6.9203 -6.9145 -6.9145 0.5404 0.5404 0.5654 0.5654 2.0441 2.0441 2.4181 2.4181 2.7093 2.7093 3.1768 3.1768 3.7427 3.7427 3.7887 3.7887 7.9454 7.9454 8.1614 8.1614 8.8605 8.8605 8.9104 8.9104 k = 0.1049 0.2817 0.6933 ( 4434 PWs) bands (ev): -9.2085 -9.2085 -9.2035 -9.2035 -9.1981 -9.1981 -9.1873 -9.1873 -8.3850 -8.3850 -8.3567 -8.3567 -8.3537 -8.3537 -8.3432 -8.3432 -8.3255 -8.3255 -8.3182 -8.3182 -6.9278 -6.9278 -6.9222 -6.9222 0.5172 0.5172 0.5395 0.5395 2.0671 2.0671 2.4155 2.4155 2.7596 2.7596 3.2080 3.2080 3.8224 3.8224 3.8740 3.8740 7.8795 7.8795 8.0803 8.0803 8.7753 8.7753 8.8191 8.8191 k = 0.0974 0.2616 0.6933 ( 4446 PWs) bands (ev): -9.2081 -9.2081 -9.2031 -9.2031 -9.1979 -9.1979 -9.1875 -9.1875 -8.3836 -8.3836 -8.3571 -8.3571 -8.3520 -8.3520 -8.3427 -8.3427 -8.3258 -8.3258 -8.3187 -8.3187 -6.9352 -6.9352 -6.9298 -6.9298 0.4950 0.4950 0.5148 0.5148 2.0888 2.0888 2.4100 2.4100 2.8122 2.8122 3.2361 3.2361 3.9080 3.9080 3.9623 3.9623 7.8086 7.8086 7.9939 7.9939 8.6880 8.6880 8.7266 8.7266 k = 0.0899 0.2415 0.6933 ( 4442 PWs) bands (ev): -9.2076 -9.2076 -9.2027 -9.2027 -9.1977 -9.1977 -9.1876 -9.1876 -8.3821 -8.3821 -8.3576 -8.3576 -8.3503 -8.3503 -8.3422 -8.3422 -8.3261 -8.3261 -8.3192 -8.3192 -6.9422 -6.9422 -6.9371 -6.9371 0.4740 0.4740 0.4914 0.4914 2.1093 2.1093 2.4023 2.4023 2.8664 2.8664 3.2623 3.2623 3.9974 3.9974 4.0523 4.0523 7.7343 7.7343 7.9040 7.9040 8.5997 8.5997 8.6336 8.6336 k = 0.0824 0.2213 0.6933 ( 4438 PWs) bands (ev): -9.2072 -9.2072 -9.2024 -9.2024 -9.1974 -9.1974 -9.1877 -9.1877 -8.3806 -8.3806 -8.3581 -8.3581 -8.3486 -8.3486 -8.3418 -8.3418 -8.3265 -8.3265 -8.3198 -8.3198 -6.9490 -6.9490 -6.9441 -6.9441 0.4542 0.4542 0.4696 0.4696 2.1284 2.1284 2.3932 2.3932 2.9217 2.9217 3.2873 3.2873 4.0885 4.0885 4.1427 4.1427 7.6582 7.6582 7.8124 7.8124 8.5115 8.5115 8.5412 8.5412 k = 0.0749 0.2012 0.6933 ( 4430 PWs) bands (ev): -9.2068 -9.2068 -9.2023 -9.2023 -9.1970 -9.1970 -9.1879 -9.1879 -8.3791 -8.3791 -8.3586 -8.3586 -8.3469 -8.3469 -8.3413 -8.3413 -8.3268 -8.3268 -8.3204 -8.3204 -6.9553 -6.9553 -6.9508 -6.9508 0.4358 0.4358 0.4493 0.4493 2.1461 2.1461 2.3829 2.3829 2.9773 2.9773 3.3113 3.3113 4.1797 4.1797 4.2322 4.2322 7.5820 7.5820 7.7210 7.7210 8.4245 8.4245 8.4503 8.4503 k = 0.0674 0.1811 0.6933 ( 4434 PWs) bands (ev): -9.2064 -9.2064 -9.2022 -9.2022 -9.1966 -9.1966 -9.1881 -9.1881 -8.3777 -8.3777 -8.3592 -8.3592 -8.3453 -8.3453 -8.3408 -8.3408 -8.3271 -8.3271 -8.3210 -8.3210 -6.9612 -6.9612 -6.9570 -6.9570 0.4189 0.4189 0.4306 0.4306 2.1625 2.1625 2.3720 2.3720 3.0326 3.0326 3.3343 3.3343 4.2696 4.2696 4.3195 4.3195 7.5074 7.5074 7.6313 7.6313 8.3397 8.3397 8.3621 8.3621 k = 0.0599 0.1610 0.6933 ( 4442 PWs) bands (ev): -9.2060 -9.2060 -9.2022 -9.2022 -9.1960 -9.1960 -9.1884 -9.1884 -8.3763 -8.3763 -8.3599 -8.3599 -8.3438 -8.3438 -8.3402 -8.3402 -8.3274 -8.3274 -8.3216 -8.3216 -6.9666 -6.9666 -6.9628 -6.9628 0.4036 0.4036 0.4137 0.4137 2.1777 2.1777 2.3606 2.3606 3.0869 3.0869 3.3558 3.3558 4.3565 4.3565 4.4033 4.4033 7.4359 7.4359 7.5450 7.5450 8.2585 8.2585 8.2776 8.2776 k = 0.0524 0.1409 0.6933 ( 4442 PWs) bands (ev): -9.2056 -9.2056 -9.2022 -9.2022 -9.1955 -9.1955 -9.1887 -9.1887 -8.3749 -8.3749 -8.3605 -8.3605 -8.3424 -8.3424 -8.3397 -8.3397 -8.3276 -8.3276 -8.3223 -8.3223 -6.9714 -6.9714 -6.9680 -6.9680 0.3899 0.3899 0.3986 0.3986 2.1917 2.1917 2.3491 2.3491 3.1394 3.1394 3.3754 3.3754 4.4391 4.4391 4.4822 4.4822 7.3690 7.3690 7.4635 7.4635 8.1822 8.1822 8.1981 8.1981 k = 0.0449 0.1207 0.6933 ( 4442 PWs) bands (ev): -9.2053 -9.2053 -9.2023 -9.2023 -9.1949 -9.1949 -9.1890 -9.1890 -8.3735 -8.3735 -8.3612 -8.3612 -8.3411 -8.3411 -8.3392 -8.3392 -8.3278 -8.3278 -8.3229 -8.3229 -6.9757 -6.9757 -6.9727 -6.9727 0.3781 0.3781 0.3853 0.3853 2.2047 2.2047 2.3375 2.3375 3.1893 3.1893 3.3921 3.3921 4.5159 4.5159 4.5547 4.5547 7.3082 7.3082 7.3884 7.3884 8.1120 8.1120 8.1251 8.1251 k = 0.0375 0.1006 0.6933 ( 4434 PWs) bands (ev): -9.2049 -9.2049 -9.2024 -9.2024 -9.1943 -9.1943 -9.1893 -9.1893 -8.3722 -8.3722 -8.3620 -8.3620 -8.3400 -8.3400 -8.3387 -8.3387 -8.3280 -8.3280 -8.3236 -8.3236 -6.9793 -6.9793 -6.9768 -6.9768 0.3680 0.3680 0.3739 0.3739 2.2169 2.2169 2.3260 2.3260 3.2359 3.2359 3.4054 3.4054 4.5853 4.5853 4.6191 4.6191 7.2548 7.2548 7.3209 7.3209 8.0495 8.0495 8.0598 8.0598 k = 0.0300 0.0805 0.6933 ( 4430 PWs) bands (ev): -9.2046 -9.2046 -9.2026 -9.2026 -9.1937 -9.1937 -9.1897 -9.1897 -8.3710 -8.3710 -8.3628 -8.3628 -8.3390 -8.3390 -8.3383 -8.3383 -8.3280 -8.3280 -8.3243 -8.3243 -6.9822 -6.9822 -6.9802 -6.9802 0.3598 0.3598 0.3644 0.3644 2.2285 2.2285 2.3147 2.3147 3.2785 3.2785 3.4144 3.4144 4.6457 4.6457 4.6739 4.6739 7.2102 7.2102 7.2624 7.2624 7.9959 7.9959 8.0038 8.0038 k = 0.0225 0.0604 0.6933 ( 4432 PWs) bands (ev): -9.2043 -9.2043 -9.2028 -9.2028 -9.1931 -9.1931 -9.1901 -9.1901 -8.3698 -8.3698 -8.3636 -8.3636 -8.3383 -8.3383 -8.3379 -8.3379 -8.3279 -8.3279 -8.3250 -8.3250 -6.9845 -6.9845 -6.9830 -6.9830 0.3535 0.3535 0.3569 0.3569 2.2396 2.2396 2.3036 2.3036 3.3162 3.3162 3.4184 3.4184 4.6957 4.6957 4.7176 4.7176 7.1754 7.1754 7.2142 7.2142 7.9527 7.9527 7.9584 7.9584 k = 0.0150 0.0402 0.6933 ( 4412 PWs) bands (ev): -9.2040 -9.2040 -9.2030 -9.2030 -9.1925 -9.1925 -9.1905 -9.1905 -8.3686 -8.3686 -8.3645 -8.3645 -8.3377 -8.3377 -8.3376 -8.3376 -8.3277 -8.3277 -8.3257 -8.3257 -6.9861 -6.9861 -6.9850 -6.9850 0.3491 0.3491 0.3514 0.3514 2.2503 2.2503 2.2928 2.2928 3.3486 3.3486 3.4169 3.4169 4.7338 4.7338 4.7488 4.7488 7.1515 7.1515 7.1771 7.1771 7.9211 7.9211 7.9247 7.9247 k = 0.0075 0.0201 0.6933 ( 4416 PWs) bands (ev): -9.2037 -9.2037 -9.2032 -9.2032 -9.1920 -9.1920 -9.1910 -9.1910 -8.3675 -8.3675 -8.3655 -8.3655 -8.3374 -8.3374 -8.3374 -8.3374 -8.3274 -8.3274 -8.3263 -8.3263 -6.9869 -6.9869 -6.9864 -6.9864 0.3467 0.3467 0.3478 0.3478 2.2609 2.2609 2.2820 2.2820 3.3751 3.3751 3.4093 3.4093 4.7588 4.7588 4.7664 4.7664 7.1393 7.1393 7.1520 7.1520 7.9020 7.9020 7.9038 7.9038 k = 0.0000 0.0000 0.6933 ( 4414 PWs) bands (ev): -9.2034 -9.2034 -9.2034 -9.2034 -9.1914 -9.1914 -9.1914 -9.1914 -8.3665 -8.3665 -8.3665 -8.3665 -8.3373 -8.3373 -8.3373 -8.3373 -8.3269 -8.3269 -8.3269 -8.3269 -6.9870 -6.9870 -6.9870 -6.9870 0.3463 0.3463 0.3463 0.3463 2.2715 2.2715 2.2715 2.2715 3.3953 3.3953 3.3953 3.3953 4.7698 4.7698 4.7698 4.7698 7.1394 7.1394 7.1394 7.1394 7.8961 7.8961 7.8961 7.8961 k = 0.0000 0.0000 0.6933 ( 4414 PWs) bands (ev): -9.2034 -9.2034 -9.2034 -9.2034 -9.1914 -9.1914 -9.1914 -9.1914 -8.3665 -8.3665 -8.3665 -8.3665 -8.3373 -8.3373 -8.3373 -8.3373 -8.3269 -8.3269 -8.3269 -8.3269 -6.9870 -6.9870 -6.9870 -6.9870 0.3463 0.3463 0.3463 0.3463 2.2715 2.2715 2.2715 2.2715 3.3953 3.3953 3.3953 3.3953 4.7698 4.7698 4.7698 4.7698 7.1394 7.1394 7.1394 7.1394 7.8961 7.8961 7.8961 7.8961 k = 0.0000 0.0000 0.6716 ( 4422 PWs) bands (ev): -9.2035 -9.2035 -9.2034 -9.2034 -9.1917 -9.1917 -9.1913 -9.1913 -8.3672 -8.3672 -8.3658 -8.3658 -8.3379 -8.3379 -8.3368 -8.3368 -8.3275 -8.3275 -8.3262 -8.3262 -7.0041 -7.0041 -6.9702 -6.9702 0.3427 0.3427 0.3533 0.3533 2.2240 2.2240 2.3185 2.3185 3.3789 3.3789 3.4101 3.4101 4.7487 4.7487 4.7853 4.7853 7.1035 7.1035 7.1840 7.1840 7.8769 7.8769 7.9225 7.9225 k = 0.0000 0.0000 0.6499 ( 4418 PWs) bands (ev): -9.2036 -9.2036 -9.2033 -9.2033 -9.1919 -9.1919 -9.1911 -9.1911 -8.3679 -8.3679 -8.3652 -8.3652 -8.3385 -8.3385 -8.3364 -8.3364 -8.3280 -8.3280 -8.3254 -8.3254 -7.0214 -7.0214 -6.9537 -6.9537 0.3427 0.3427 0.3637 0.3637 2.1765 2.1765 2.3648 2.3648 3.3609 3.3609 3.4231 3.4231 4.7226 4.7226 4.7950 4.7950 7.0768 7.0768 7.2368 7.2368 7.8649 7.8649 7.9559 7.9559 k = 0.0000 0.0000 0.6283 ( 4431 PWs) bands (ev): -9.2037 -9.2037 -9.2032 -9.2032 -9.1921 -9.1921 -9.1910 -9.1910 -8.3687 -8.3687 -8.3646 -8.3646 -8.3391 -8.3391 -8.3362 -8.3362 -8.3283 -8.3283 -8.3246 -8.3246 -7.0389 -7.0389 -6.9377 -6.9377 0.3463 0.3463 0.3774 0.3774 2.1291 2.1291 2.4100 2.4100 3.3413 3.3413 3.4344 3.4344 4.6919 4.6919 4.7985 4.7985 7.0597 7.0597 7.2968 7.2968 7.8605 7.8605 7.9960 7.9960 k = 0.0000 0.0000 0.6066 ( 4443 PWs) bands (ev): -9.2038 -9.2038 -9.2031 -9.2031 -9.1924 -9.1924 -9.1909 -9.1909 -8.3696 -8.3696 -8.3641 -8.3641 -8.3396 -8.3396 -8.3363 -8.3363 -8.3283 -8.3283 -8.3237 -8.3237 -7.0566 -7.0566 -6.9220 -6.9220 0.3535 0.3535 0.3941 0.3941 2.0822 2.0822 2.4538 2.4538 3.3204 3.3204 3.4439 3.4439 4.6571 4.6571 4.7960 4.7960 7.0524 7.0524 7.3634 7.3634 7.8636 7.8636 8.0427 8.0427 k = 0.0000 0.0000 0.5849 ( 4447 PWs) bands (ev): -9.2039 -9.2039 -9.2030 -9.2030 -9.1927 -9.1927 -9.1908 -9.1908 -8.3704 -8.3704 -8.3636 -8.3636 -8.3402 -8.3402 -8.3365 -8.3365 -8.3281 -8.3281 -8.3228 -8.3228 -7.0743 -7.0743 -6.9068 -6.9068 0.3644 0.3644 0.4138 0.4138 2.0360 2.0360 2.4957 2.4957 3.2982 3.2982 3.4517 3.4517 4.6189 4.6189 4.7876 4.7876 7.0549 7.0549 7.4353 7.4353 7.8747 7.8747 8.0957 8.0957 k = 0.0000 0.0000 0.5633 ( 4445 PWs) bands (ev): -9.2040 -9.2040 -9.2028 -9.2028 -9.1930 -9.1930 -9.1908 -9.1908 -8.3713 -8.3713 -8.3632 -8.3632 -8.3407 -8.3407 -8.3369 -8.3369 -8.3277 -8.3277 -8.3219 -8.3219 -7.0920 -7.0920 -6.8921 -6.8921 0.3790 0.3790 0.4364 0.4364 1.9907 1.9907 2.5354 2.5354 3.2749 3.2749 3.4578 3.4578 4.5778 4.5778 4.7736 4.7736 7.0670 7.0670 7.5117 7.5117 7.8941 7.8941 8.1549 8.1549 k = 0.0000 0.0000 0.5416 ( 4461 PWs) bands (ev): -9.2041 -9.2041 -9.2027 -9.2027 -9.1933 -9.1933 -9.1908 -9.1908 -8.3722 -8.3722 -8.3629 -8.3629 -8.3412 -8.3412 -8.3374 -8.3374 -8.3272 -8.3272 -8.3210 -8.3210 -7.1096 -7.1096 -6.8780 -6.8780 0.3973 0.3973 0.4615 0.4615 1.9467 1.9467 2.5725 2.5725 3.2507 3.2507 3.4622 3.4622 4.5341 4.5341 4.7547 4.7547 7.0882 7.0882 7.5908 7.5908 7.9225 7.9225 8.2199 8.2199 k = 0.0000 0.0000 0.5199 ( 4457 PWs) bands (ev): -9.2041 -9.2041 -9.2026 -9.2026 -9.1936 -9.1936 -9.1908 -9.1908 -8.3731 -8.3731 -8.3627 -8.3627 -8.3417 -8.3417 -8.3380 -8.3380 -8.3265 -8.3265 -8.3201 -8.3201 -7.1272 -7.1272 -6.8643 -6.8643 0.4192 0.4192 0.4891 0.4891 1.9042 1.9042 2.6066 2.6066 3.2258 3.2258 3.4649 3.4649 4.4885 4.4885 4.7316 4.7316 7.1181 7.1181 7.6711 7.6711 7.9609 7.9609 8.2904 8.2904 k = 0.0000 0.0000 0.4983 ( 4463 PWs) bands (ev): -9.2042 -9.2042 -9.2025 -9.2025 -9.1939 -9.1939 -9.1908 -9.1908 -8.3740 -8.3740 -8.3625 -8.3625 -8.3421 -8.3421 -8.3386 -8.3386 -8.3258 -8.3258 -8.3192 -8.3192 -7.1445 -7.1445 -6.8513 -6.8513 0.4447 0.4447 0.5188 0.5188 1.8634 1.8634 2.6373 2.6373 3.2003 3.2003 3.4659 3.4659 4.4412 4.4412 4.7051 4.7051 7.1562 7.1562 7.7503 7.7503 8.0107 8.0107 8.3663 8.3663 k = 0.0000 0.0000 0.4766 ( 4459 PWs) bands (ev): -9.2043 -9.2043 -9.2024 -9.2024 -9.1943 -9.1943 -9.1909 -9.1909 -8.3749 -8.3749 -8.3624 -8.3624 -8.3425 -8.3425 -8.3391 -8.3391 -8.3251 -8.3251 -8.3183 -8.3183 -7.1617 -7.1617 -6.8389 -6.8389 0.4736 0.4736 0.5505 0.5505 1.8245 1.8245 2.6642 2.6642 3.1746 3.1746 3.4650 3.4650 4.3927 4.3927 4.6762 4.6762 7.2016 7.2016 7.8262 7.8262 8.0730 8.0730 8.4470 8.4470 k = 0.0000 0.0000 0.4549 ( 4457 PWs) bands (ev): -9.2044 -9.2044 -9.2024 -9.2024 -9.1946 -9.1946 -9.1910 -9.1910 -8.3758 -8.3758 -8.3624 -8.3624 -8.3429 -8.3429 -8.3396 -8.3396 -8.3244 -8.3244 -8.3174 -8.3174 -7.1785 -7.1785 -6.8270 -6.8270 0.5058 0.5058 0.5840 0.5840 1.7879 1.7879 2.6871 2.6871 3.1487 3.1487 3.4621 3.4621 4.3434 4.3434 4.6458 4.6458 7.2539 7.2539 7.8979 7.8979 8.1482 8.1482 8.5325 8.5325 k = 0.0000 0.0000 0.4333 ( 4457 PWs) bands (ev): -9.2044 -9.2044 -9.2023 -9.2023 -9.1949 -9.1949 -9.1911 -9.1911 -8.3767 -8.3767 -8.3624 -8.3624 -8.3434 -8.3434 -8.3401 -8.3401 -8.3237 -8.3237 -8.3165 -8.3165 -7.1949 -7.1949 -6.8158 -6.8158 0.5410 0.5410 0.6191 0.6191 1.7537 1.7537 2.7056 2.7056 3.1228 3.1228 3.4569 3.4569 4.2936 4.2936 4.6149 4.6149 7.3123 7.3123 7.9657 7.9657 8.2346 8.2346 8.6222 8.6222 k = 0.0000 0.0000 0.4116 ( 4449 PWs) bands (ev): -9.2045 -9.2045 -9.2022 -9.2022 -9.1953 -9.1953 -9.1912 -9.1912 -8.3776 -8.3776 -8.3624 -8.3624 -8.3439 -8.3439 -8.3404 -8.3404 -8.3230 -8.3230 -8.3157 -8.3157 -7.2110 -7.2110 -6.8053 -6.8053 0.5788 0.5788 0.6556 0.6556 1.7223 1.7223 2.7195 2.7195 3.0974 3.0974 3.4489 3.4489 4.2438 4.2438 4.5845 4.5845 7.3762 7.3762 8.0313 8.0313 8.3296 8.3296 8.7159 8.7159 k = 0.0000 0.0000 0.3900 ( 4449 PWs) bands (ev): -9.2046 -9.2046 -9.2021 -9.2021 -9.1956 -9.1956 -9.1914 -9.1914 -8.3785 -8.3785 -8.3625 -8.3625 -8.3444 -8.3444 -8.3406 -8.3406 -8.3223 -8.3223 -8.3148 -8.3148 -7.2265 -7.2265 -6.7953 -6.7953 0.6187 0.6187 0.6937 0.6937 1.6940 1.6940 2.7287 2.7287 3.0724 3.0724 3.4379 3.4379 4.1942 4.1942 4.5553 4.5553 7.4451 7.4451 8.0961 8.0961 8.4305 8.4305 8.8132 8.8132 k = 0.0000 0.0000 0.3683 ( 4441 PWs) bands (ev): -9.2046 -9.2046 -9.2020 -9.2020 -9.1959 -9.1959 -9.1915 -9.1915 -8.3793 -8.3793 -8.3627 -8.3627 -8.3450 -8.3450 -8.3407 -8.3407 -8.3217 -8.3217 -8.3140 -8.3140 -7.2416 -7.2416 -6.7860 -6.7860 0.6596 0.6596 0.7336 0.7336 1.6691 1.6691 2.7332 2.7332 3.0483 3.0483 3.4233 3.4233 4.1453 4.1453 4.5282 4.5282 7.5184 7.5184 8.1610 8.1610 8.5346 8.5346 8.9136 8.9136 k = 0.0000 0.0000 0.3466 ( 4435 PWs) bands (ev): -9.2047 -9.2047 -9.2019 -9.2019 -9.1962 -9.1962 -9.1917 -9.1917 -8.3802 -8.3802 -8.3628 -8.3628 -8.3456 -8.3456 -8.3407 -8.3407 -8.3211 -8.3211 -8.3132 -8.3132 -7.2560 -7.2560 -6.7773 -6.7773 0.7000 0.7000 0.7761 0.7761 1.6479 1.6479 2.7327 2.7327 3.0252 3.0252 3.4049 3.4049 4.0975 4.0975 4.5039 4.5039 7.5955 7.5955 8.2266 8.2266 8.6394 8.6394 9.0167 9.0167 k = 0.0000 0.0000 0.3250 ( 4435 PWs) bands (ev): -9.2047 -9.2047 -9.2019 -9.2019 -9.1965 -9.1965 -9.1919 -9.1919 -8.3810 -8.3810 -8.3630 -8.3630 -8.3462 -8.3462 -8.3407 -8.3407 -8.3206 -8.3206 -8.3123 -8.3123 -7.2699 -7.2699 -6.7692 -6.7692 0.7385 0.7385 0.8221 0.8221 1.6307 1.6307 2.7273 2.7273 3.0033 3.0033 3.3824 3.3824 4.0511 4.0511 4.4826 4.4826 7.6760 7.6760 8.2929 8.2929 8.7418 8.7418 9.1220 9.1220 k = 0.0000 0.0000 0.3033 ( 4435 PWs) bands (ev): -9.2048 -9.2048 -9.2018 -9.2018 -9.1968 -9.1968 -9.1921 -9.1921 -8.3818 -8.3818 -8.3632 -8.3632 -8.3468 -8.3468 -8.3407 -8.3407 -8.3201 -8.3201 -8.3116 -8.3116 -7.2831 -7.2831 -6.7617 -6.7617 0.7736 0.7736 0.8722 0.8722 1.6178 1.6178 2.7170 2.7170 2.9828 2.9828 3.3558 3.3558 4.0063 4.0063 4.4648 4.4648 7.7594 7.7594 8.3597 8.3597 8.8376 8.8376 9.2290 9.2290 k = 0.0000 0.0000 0.2816 ( 4441 PWs) bands (ev): -9.2049 -9.2049 -9.2018 -9.2018 -9.1970 -9.1970 -9.1923 -9.1923 -8.3825 -8.3825 -8.3634 -8.3634 -8.3474 -8.3474 -8.3406 -8.3406 -8.3196 -8.3196 -8.3108 -8.3108 -7.2955 -7.2955 -6.7548 -6.7548 0.8046 0.8046 0.9264 0.9264 1.6095 1.6095 2.7019 2.7019 2.9640 2.9640 3.3253 3.3253 3.9635 3.9635 4.4505 4.4505 7.8453 7.8453 8.4265 8.4265 8.9208 8.9208 9.3369 9.3369 k = 0.0000 0.0000 0.2600 ( 4437 PWs) bands (ev): -9.2049 -9.2049 -9.2018 -9.2018 -9.1972 -9.1972 -9.1925 -9.1925 -8.3832 -8.3832 -8.3636 -8.3636 -8.3479 -8.3479 -8.3405 -8.3405 -8.3192 -8.3192 -8.3101 -8.3101 -7.3072 -7.3072 -6.7485 -6.7485 0.8314 0.8314 0.9841 0.9841 1.6057 1.6057 2.6821 2.6821 2.9467 2.9467 3.2916 3.2916 3.9228 3.9228 4.4395 4.4395 7.9331 7.9331 8.4928 8.4928 8.9840 8.9840 9.4448 9.4448 k = 0.0000 0.0000 0.2383 ( 4439 PWs) bands (ev): -9.2050 -9.2050 -9.2017 -9.2017 -9.1974 -9.1974 -9.1927 -9.1927 -8.3838 -8.3838 -8.3639 -8.3639 -8.3484 -8.3484 -8.3404 -8.3404 -8.3188 -8.3188 -8.3094 -8.3094 -7.3181 -7.3181 -6.7428 -6.7428 0.8540 0.8540 1.0447 1.0447 1.6063 1.6063 2.6578 2.6578 2.9312 2.9312 3.2553 3.2553 3.8844 3.8844 4.4317 4.4317 8.0225 8.0225 8.5579 8.5579 9.0216 9.0216 9.5510 9.5510 k = 0.0000 0.0000 0.2166 ( 4441 PWs) bands (ev): -9.2051 -9.2051 -9.2017 -9.2017 -9.1976 -9.1976 -9.1929 -9.1929 -8.3845 -8.3845 -8.3641 -8.3641 -8.3489 -8.3489 -8.3403 -8.3403 -8.3185 -8.3185 -8.3088 -8.3088 -7.3282 -7.3282 -6.7376 -6.7376 0.8726 0.8726 1.1074 1.1074 1.6110 1.6110 2.6290 2.6290 2.9173 2.9173 3.2174 3.2174 3.8485 3.8485 4.4265 4.4265 8.1129 8.1129 8.6210 8.6210 9.0346 9.0346 9.6480 9.6480 k = 0.0000 0.0000 0.1950 ( 4441 PWs) bands (ev): -9.2051 -9.2051 -9.2017 -9.2017 -9.1977 -9.1977 -9.1930 -9.1930 -8.3850 -8.3850 -8.3643 -8.3643 -8.3494 -8.3494 -8.3402 -8.3402 -8.3182 -8.3182 -8.3082 -8.3082 -7.3374 -7.3374 -6.7330 -6.7330 0.8875 0.8875 1.1718 1.1718 1.6192 1.6192 2.5962 2.5962 2.9051 2.9051 3.1791 3.1791 3.8151 3.8151 4.4236 4.4236 8.2038 8.2038 8.6812 8.6812 9.0298 9.0298 9.6880 9.6880 k = 0.0000 0.0000 0.1733 ( 4439 PWs) bands (ev): -9.2052 -9.2052 -9.2017 -9.2017 -9.1979 -9.1979 -9.1932 -9.1932 -8.3855 -8.3855 -8.3644 -8.3644 -8.3497 -8.3497 -8.3401 -8.3401 -8.3179 -8.3179 -8.3077 -8.3077 -7.3457 -7.3457 -6.7289 -6.7289 0.8991 0.8991 1.2371 1.2371 1.6302 1.6302 2.5597 2.5597 2.8946 2.8946 3.1413 3.1413 3.7846 3.7846 4.4224 4.4224 8.2946 8.2946 8.7374 8.7374 9.0151 9.0151 9.6412 9.6412 k = 0.0000 0.0000 0.1516 ( 4443 PWs) bands (ev): -9.2052 -9.2052 -9.2017 -9.2017 -9.1980 -9.1980 -9.1934 -9.1934 -8.3860 -8.3860 -8.3646 -8.3646 -8.3501 -8.3501 -8.3399 -8.3399 -8.3177 -8.3177 -8.3072 -8.3072 -7.3531 -7.3531 -6.7253 -6.7253 0.9077 0.9077 1.3025 1.3025 1.6428 1.6428 2.5200 2.5200 2.8857 2.8857 3.1051 3.1051 3.7569 3.7569 4.4226 4.4226 8.3845 8.3845 8.7882 8.7882 8.9963 8.9963 9.5770 9.5770 k = 0.0000 0.0000 0.1300 ( 4455 PWs) bands (ev): -9.2053 -9.2053 -9.2017 -9.2017 -9.1980 -9.1980 -9.1935 -9.1935 -8.3864 -8.3864 -8.3648 -8.3648 -8.3504 -8.3504 -8.3399 -8.3399 -8.3176 -8.3176 -8.3067 -8.3067 -7.3596 -7.3596 -6.7222 -6.7222 0.9140 0.9140 1.3672 1.3672 1.6558 1.6558 2.4781 2.4781 2.8787 2.8787 3.0714 3.0714 3.7325 3.7325 4.4236 4.4236 8.4728 8.4728 8.8318 8.8318 8.9777 8.9777 9.5128 9.5128 k = 0.0000 0.0000 0.1083 ( 4455 PWs) bands (ev): -9.2053 -9.2053 -9.2018 -9.2018 -9.1981 -9.1981 -9.1937 -9.1937 -8.3867 -8.3867 -8.3649 -8.3649 -8.3507 -8.3507 -8.3398 -8.3398 -8.3174 -8.3174 -8.3064 -8.3064 -7.3651 -7.3651 -6.7197 -6.7197 0.9184 0.9184 1.4301 1.4301 1.6681 1.6681 2.4354 2.4354 2.8734 2.8734 3.0409 3.0409 3.7113 3.7113 4.4250 4.4250 8.5586 8.5586 8.8651 8.8651 8.9635 8.9635 9.4513 9.4513 k = 0.0000 0.0000 0.0867 ( 4439 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1981 -9.1981 -9.1938 -9.1938 -8.3870 -8.3870 -8.3650 -8.3650 -8.3509 -8.3509 -8.3397 -8.3397 -8.3173 -8.3173 -8.3061 -8.3061 -7.3696 -7.3696 -6.7176 -6.7176 0.9213 0.9213 1.4897 1.4897 1.6781 1.6781 2.3936 2.3936 2.8698 2.8698 3.0143 3.0143 3.6937 3.6937 4.4267 4.4267 8.6406 8.6406 8.8835 8.8835 8.9580 8.9580 9.3939 9.3939 k = 0.0000 0.0000 0.0650 ( 4437 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1982 -9.1982 -9.1939 -9.1939 -8.3872 -8.3872 -8.3651 -8.3651 -8.3511 -8.3511 -8.3396 -8.3396 -8.3172 -8.3172 -8.3058 -8.3058 -7.3731 -7.3731 -6.7159 -6.7159 0.9232 0.9232 1.5442 1.5442 1.6843 1.6843 2.3554 2.3554 2.8679 2.8679 2.9923 2.9923 3.6798 3.6798 4.4282 4.4282 8.7171 8.7171 8.8872 8.8872 8.9601 8.9601 9.3423 9.3423 k = 0.0000 0.0000 0.0433 ( 4433 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1982 -9.1982 -9.1939 -9.1939 -8.3874 -8.3874 -8.3652 -8.3652 -8.3512 -8.3512 -8.3396 -8.3396 -8.3171 -8.3171 -8.3057 -8.3057 -7.3756 -7.3756 -6.7148 -6.7148 0.9243 0.9243 1.5916 1.5916 1.6849 1.6849 2.3239 2.3239 2.8672 2.8672 2.9757 2.9757 3.6698 3.6698 4.4294 4.4294 8.7849 8.7849 8.8858 8.8858 8.9591 8.9591 9.3000 9.3000 k = 0.0000 0.0000 0.0217 ( 4427 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1982 -9.1982 -9.1940 -9.1940 -8.3875 -8.3875 -8.3652 -8.3652 -8.3512 -8.3512 -8.3396 -8.3396 -8.3171 -8.3171 -8.3056 -8.3056 -7.3772 -7.3772 -6.7141 -6.7141 0.9249 0.9249 1.6292 1.6292 1.6784 1.6784 2.3030 2.3030 2.8672 2.8672 2.9651 2.9651 3.6638 3.6638 4.4302 4.4302 8.8350 8.8350 8.8911 8.8911 8.9464 8.9464 9.2715 9.2715 k = 0.0000 0.0000 0.0000 ( 4435 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1982 -9.1982 -9.1940 -9.1940 -8.3875 -8.3875 -8.3652 -8.3652 -8.3513 -8.3513 -8.3396 -8.3396 -8.3171 -8.3171 -8.3055 -8.3055 -7.3777 -7.3777 -6.7138 -6.7138 0.9250 0.9250 1.6494 1.6494 1.6689 1.6689 2.2956 2.2956 2.8673 2.8673 2.9615 2.9615 3.6617 3.6617 4.4305 4.4305 8.8511 8.8511 8.9090 8.9090 8.9275 8.9275 9.2613 9.2613 k = 0.0000 0.0000 0.0000 ( 4435 PWs) bands (ev): -9.2054 -9.2054 -9.2018 -9.2018 -9.1982 -9.1982 -9.1940 -9.1940 -8.3875 -8.3875 -8.3652 -8.3652 -8.3513 -8.3513 -8.3396 -8.3396 -8.3171 -8.3171 -8.3055 -8.3055 -7.3777 -7.3777 -6.7138 -6.7138 0.9250 0.9250 1.6494 1.6494 1.6689 1.6689 2.2956 2.2956 2.8673 2.8673 2.9615 2.9615 3.6617 3.6617 4.4305 4.4305 8.8511 8.8511 8.9090 8.9090 8.9275 8.9275 9.2613 9.2613 k =-0.0200 0.0074 0.0000 ( 4431 PWs) bands (ev): -9.2055 -9.2055 -9.2017 -9.2017 -9.1982 -9.1982 -9.1940 -9.1940 -8.3875 -8.3875 -8.3652 -8.3652 -8.3513 -8.3513 -8.3396 -8.3396 -8.3171 -8.3171 -8.3055 -8.3055 -7.3772 -7.3772 -6.7144 -6.7144 0.9143 0.9143 1.6482 1.6482 1.6833 1.6833 2.2968 2.2968 2.8637 2.8637 2.9649 2.9649 3.6615 3.6615 4.4310 4.4310 8.8447 8.8447 8.8995 8.8995 8.9335 8.9335 9.2650 9.2650 k =-0.0400 0.0149 0.0000 ( 4427 PWs) bands (ev): -9.2058 -9.2058 -9.2016 -9.2016 -9.1980 -9.1980 -9.1940 -9.1940 -8.3875 -8.3875 -8.3650 -8.3650 -8.3513 -8.3513 -8.3395 -8.3395 -8.3172 -8.3172 -8.3055 -8.3055 -7.3759 -7.3759 -6.7162 -6.7162 0.8842 0.8842 1.6468 1.6468 1.7218 1.7218 2.3004 2.3004 2.8545 2.8545 2.9739 2.9739 3.6610 3.6610 4.4326 4.4326 8.8270 8.8270 8.8795 8.8795 8.9436 8.9436 9.2743 9.2743 k =-0.0600 0.0223 0.0000 ( 4427 PWs) bands (ev): -9.2062 -9.2062 -9.2014 -9.2014 -9.1977 -9.1977 -9.1939 -9.1939 -8.3874 -8.3874 -8.3649 -8.3649 -8.3513 -8.3513 -8.3395 -8.3395 -8.3174 -8.3174 -8.3054 -8.3054 -7.3737 -7.3737 -6.7192 -6.7192 0.8400 0.8400 1.6455 1.6455 1.7784 1.7784 2.3068 2.3068 2.8422 2.8422 2.9858 2.9858 3.6601 3.6601 4.4353 4.4353 8.7997 8.7997 8.8538 8.8538 8.9538 8.9538 9.2852 9.2852 k =-0.0800 0.0298 0.0000 ( 4423 PWs) bands (ev): -9.2066 -9.2066 -9.2012 -9.2012 -9.1974 -9.1974 -9.1939 -9.1939 -8.3874 -8.3874 -8.3646 -8.3646 -8.3513 -8.3513 -8.3394 -8.3394 -8.3177 -8.3177 -8.3053 -8.3053 -7.3706 -7.3706 -6.7234 -6.7234 0.7866 0.7866 1.6440 1.6440 1.8475 1.8475 2.3168 2.3168 2.8289 2.8289 2.9989 2.9989 3.6589 3.6589 4.4390 4.4390 8.7639 8.7639 8.8254 8.8254 8.9635 8.9635 9.2929 9.2929 k =-0.1000 0.0372 0.0000 ( 4439 PWs) bands (ev): -9.2070 -9.2070 -9.2010 -9.2010 -9.1970 -9.1970 -9.1938 -9.1938 -8.3873 -8.3873 -8.3643 -8.3643 -8.3513 -8.3513 -8.3393 -8.3393 -8.3180 -8.3180 -8.3052 -8.3052 -7.3667 -7.3667 -6.7287 -6.7287 0.7283 0.7283 1.6422 1.6422 1.9232 1.9232 2.3315 2.3315 2.8158 2.8158 3.0119 3.0119 3.6575 3.6575 4.4437 4.4437 8.7204 8.7204 8.7958 8.7958 8.9723 8.9723 9.2939 9.2939 k =-0.1200 0.0447 0.0000 ( 4429 PWs) bands (ev): -9.2075 -9.2075 -9.2009 -9.2009 -9.1965 -9.1965 -9.1936 -9.1936 -8.3872 -8.3872 -8.3639 -8.3639 -8.3514 -8.3514 -8.3392 -8.3392 -8.3183 -8.3183 -8.3051 -8.3051 -7.3619 -7.3619 -6.7350 -6.7350 0.6679 0.6679 1.6401 1.6401 2.0000 2.0000 2.3532 2.3532 2.8044 2.8044 3.0243 3.0243 3.6559 3.6559 4.4493 4.4493 8.6699 8.6699 8.7655 8.7655 8.9794 8.9794 9.2860 9.2860 k =-0.1400 0.0521 0.0000 ( 4431 PWs) bands (ev): -9.2080 -9.2080 -9.2007 -9.2007 -9.1961 -9.1961 -9.1934 -9.1934 -8.3871 -8.3871 -8.3635 -8.3635 -8.3514 -8.3514 -8.3390 -8.3390 -8.3187 -8.3187 -8.3050 -8.3050 -7.3564 -7.3564 -6.7424 -6.7424 0.6072 0.6072 1.6377 1.6377 2.0714 2.0714 2.3850 2.3850 2.7959 2.7959 3.0355 3.0355 3.6543 3.6543 4.4559 4.4559 8.6124 8.6124 8.7347 8.7347 8.9837 8.9837 9.2700 9.2700 k =-0.1600 0.0596 0.0000 ( 4435 PWs) bands (ev): -9.2084 -9.2084 -9.2006 -9.2006 -9.1958 -9.1958 -9.1931 -9.1931 -8.3870 -8.3870 -8.3630 -8.3630 -8.3515 -8.3515 -8.3388 -8.3388 -8.3192 -8.3192 -8.3049 -8.3049 -7.3500 -7.3500 -6.7508 -6.7508 0.5474 0.5474 1.6350 1.6350 2.1313 2.1313 2.4297 2.4297 2.7926 2.7926 3.0455 3.0455 3.6528 3.6528 4.4632 4.4632 8.5469 8.5469 8.7036 8.7036 8.9834 8.9834 9.2494 9.2494 k =-0.1800 0.0670 0.0000 ( 4443 PWs) bands (ev): -9.2088 -9.2088 -9.2005 -9.2005 -9.1955 -9.1955 -9.1926 -9.1926 -8.3869 -8.3869 -8.3626 -8.3626 -8.3515 -8.3515 -8.3386 -8.3386 -8.3196 -8.3196 -8.3049 -8.3049 -7.3429 -7.3429 -6.7601 -6.7601 0.4894 0.4894 1.6321 1.6321 2.1765 2.1765 2.4854 2.4854 2.7984 2.7984 3.0541 3.0541 3.6515 3.6515 4.4712 4.4712 8.4715 8.4715 8.6723 8.6723 8.9760 8.9760 9.2308 9.2308 k =-0.2000 0.0745 0.0000 ( 4459 PWs) bands (ev): -9.2093 -9.2093 -9.2004 -9.2004 -9.1954 -9.1954 -9.1921 -9.1921 -8.3867 -8.3867 -8.3621 -8.3621 -8.3516 -8.3516 -8.3384 -8.3384 -8.3201 -8.3201 -8.3048 -8.3048 -7.3351 -7.3351 -6.7703 -6.7703 0.4337 0.4337 1.6290 1.6290 2.2088 2.2088 2.5424 2.5424 2.8198 2.8198 3.0620 3.0620 3.6506 3.6506 4.4798 4.4798 8.3845 8.3845 8.6412 8.6412 8.9610 8.9610 9.2203 9.2203 k =-0.2200 0.0819 0.0000 ( 4455 PWs) bands (ev): -9.2096 -9.2096 -9.2004 -9.2004 -9.1953 -9.1953 -9.1914 -9.1914 -8.3865 -8.3865 -8.3617 -8.3617 -8.3516 -8.3516 -8.3381 -8.3381 -8.3207 -8.3207 -8.3047 -8.3047 -7.3267 -7.3267 -6.7812 -6.7812 0.3808 0.3808 1.6257 1.6257 2.2319 2.2319 2.5875 2.5875 2.8633 2.8633 3.0708 3.0708 3.6500 3.6500 4.4889 4.4889 8.2848 8.2848 8.6103 8.6103 8.9405 8.9405 9.2207 9.2207 k =-0.2400 0.0893 0.0000 ( 4457 PWs) bands (ev): -9.2100 -9.2100 -9.2003 -9.2003 -9.1952 -9.1952 -9.1908 -9.1908 -8.3863 -8.3863 -8.3612 -8.3612 -8.3516 -8.3516 -8.3377 -8.3377 -8.3212 -8.3212 -8.3047 -8.3047 -7.3176 -7.3176 -6.7928 -6.7928 0.3310 0.3310 1.6223 1.6223 2.2492 2.2492 2.6154 2.6154 2.9245 2.9245 3.0867 3.0867 3.6500 3.6500 4.4983 4.4983 8.1724 8.1724 8.5800 8.5800 8.9194 8.9194 9.2311 9.2311 k =-0.2600 0.0968 0.0000 ( 4465 PWs) bands (ev): -9.2103 -9.2103 -9.2002 -9.2002 -9.1952 -9.1952 -9.1901 -9.1901 -8.3860 -8.3860 -8.3608 -8.3608 -8.3517 -8.3517 -8.3374 -8.3374 -8.3217 -8.3217 -8.3047 -8.3047 -7.3080 -7.3080 -6.8048 -6.8048 0.2844 0.2844 1.6188 1.6188 2.2626 2.2626 2.6309 2.6309 2.9778 2.9778 3.1273 3.1273 3.6505 3.6505 4.5078 4.5078 8.0488 8.0488 8.5505 8.5505 8.9018 8.9018 9.2495 9.2495 k =-0.2800 0.1042 0.0000 ( 4457 PWs) bands (ev): -9.2106 -9.2106 -9.2002 -9.2002 -9.1952 -9.1952 -9.1895 -9.1895 -8.3858 -8.3858 -8.3605 -8.3605 -8.3517 -8.3517 -8.3370 -8.3370 -8.3223 -8.3223 -8.3047 -8.3047 -7.2980 -7.2980 -6.8173 -6.8173 0.2412 0.2412 1.6153 1.6153 2.2733 2.2733 2.6407 2.6407 3.0007 3.0007 3.2069 3.2069 3.6516 3.6516 4.5173 4.5173 7.9168 7.9168 8.5222 8.5222 8.8902 8.8902 9.2740 9.2740 k =-0.3000 0.1117 0.0000 ( 4470 PWs) bands (ev): -9.2109 -9.2109 -9.2001 -9.2001 -9.1952 -9.1952 -9.1888 -9.1888 -8.3855 -8.3855 -8.3602 -8.3602 -8.3517 -8.3517 -8.3365 -8.3365 -8.3228 -8.3228 -8.3048 -8.3048 -7.2877 -7.2877 -6.8301 -6.8301 0.2015 0.2015 1.6119 1.6119 2.2819 2.2819 2.6485 2.6485 3.0035 3.0035 3.3097 3.3097 3.6533 3.6533 4.5266 4.5266 7.7792 7.7792 8.4954 8.4954 8.8855 8.8855 9.3033 9.3033 k =-0.3200 0.1191 0.0000 ( 4468 PWs) bands (ev): -9.2111 -9.2111 -9.2000 -9.2000 -9.1952 -9.1952 -9.1882 -9.1882 -8.3853 -8.3853 -8.3599 -8.3599 -8.3518 -8.3518 -8.3361 -8.3361 -8.3233 -8.3233 -8.3048 -8.3048 -7.2772 -7.2772 -6.8429 -6.8429 0.1654 0.1654 1.6086 1.6086 2.2887 2.2887 2.6565 2.6565 2.9975 2.9975 3.4209 3.4209 3.6556 3.6556 4.5356 4.5356 7.6392 7.6392 8.4705 8.4705 8.8878 8.8878 9.3366 9.3366 k =-0.3400 0.1266 0.0000 ( 4464 PWs) bands (ev): -9.2113 -9.2113 -9.2000 -9.2000 -9.1953 -9.1953 -9.1877 -9.1877 -8.3850 -8.3850 -8.3597 -8.3597 -8.3518 -8.3518 -8.3356 -8.3356 -8.3239 -8.3239 -8.3049 -8.3049 -7.2667 -7.2667 -6.8556 -6.8556 0.1331 0.1331 1.6054 1.6054 2.2939 2.2939 2.6658 2.6658 2.9869 2.9869 3.5335 3.5335 3.6588 3.6588 4.5440 4.5440 7.4999 7.4999 8.4477 8.4477 8.8968 8.8968 9.3731 9.3731 k =-0.3600 0.1340 0.0000 ( 4478 PWs) bands (ev): -9.2115 -9.2115 -9.1999 -9.1999 -9.1953 -9.1953 -9.1872 -9.1872 -8.3847 -8.3847 -8.3596 -8.3596 -8.3518 -8.3518 -8.3351 -8.3351 -8.3244 -8.3244 -8.3050 -8.3050 -7.2564 -7.2564 -6.8679 -6.8679 0.1044 0.1044 1.6025 1.6025 2.2978 2.2978 2.6766 2.6766 2.9733 2.9733 3.6362 3.6362 3.6703 3.6703 4.5518 4.5518 7.3643 7.3643 8.4272 8.4272 8.9118 8.9118 9.4122 9.4122 k =-0.3800 0.1415 0.0000 ( 4470 PWs) bands (ev): -9.2117 -9.2117 -9.1999 -9.1999 -9.1953 -9.1953 -9.1867 -9.1867 -8.3845 -8.3845 -8.3595 -8.3595 -8.3517 -8.3517 -8.3346 -8.3346 -8.3249 -8.3249 -8.3050 -8.3050 -7.2465 -7.2465 -6.8797 -6.8797 0.0795 0.0795 1.5999 1.5999 2.3007 2.3007 2.6890 2.6890 2.9575 2.9575 3.6587 3.6587 3.7575 3.7575 4.5587 4.5587 7.2358 7.2358 8.4091 8.4091 8.9323 8.9323 9.4532 9.4532 k =-0.4000 0.1489 0.0000 ( 4470 PWs) bands (ev): -9.2118 -9.2118 -9.1998 -9.1998 -9.1953 -9.1953 -9.1863 -9.1863 -8.3843 -8.3843 -8.3594 -8.3594 -8.3517 -8.3517 -8.3341 -8.3341 -8.3253 -8.3253 -8.3051 -8.3051 -7.2372 -7.2372 -6.8905 -6.8905 0.0584 0.0584 1.5976 1.5976 2.3026 2.3026 2.7029 2.7029 2.9405 2.9405 3.6624 3.6624 3.8558 3.8558 4.5647 4.5647 7.1175 7.1175 8.3937 8.3937 8.9572 8.9572 9.4949 9.4949 k =-0.4200 0.1563 0.0000 ( 4464 PWs) bands (ev): -9.2119 -9.2119 -9.1998 -9.1998 -9.1954 -9.1954 -9.1860 -9.1860 -8.3841 -8.3841 -8.3594 -8.3594 -8.3517 -8.3517 -8.3336 -8.3336 -8.3257 -8.3257 -8.3052 -8.3052 -7.2290 -7.2290 -6.9001 -6.9001 0.0411 0.0411 1.5956 1.5956 2.3038 2.3038 2.7178 2.7178 2.9228 2.9228 3.6648 3.6648 3.9442 3.9442 4.5697 4.5697 7.0131 7.0131 8.3809 8.3809 8.9851 8.9851 9.5352 9.5352 k =-0.4400 0.1638 0.0000 ( 4454 PWs) bands (ev): -9.2120 -9.2120 -9.1998 -9.1998 -9.1954 -9.1954 -9.1857 -9.1857 -8.3839 -8.3839 -8.3594 -8.3594 -8.3517 -8.3517 -8.3332 -8.3332 -8.3261 -8.3261 -8.3052 -8.3052 -7.2220 -7.2220 -6.9080 -6.9080 0.0277 0.0277 1.5940 1.5940 2.3046 2.3046 2.7328 2.7328 2.9055 2.9055 3.6667 3.6667 4.0184 4.0184 4.5735 4.5735 6.9263 6.9263 8.3709 8.3709 9.0139 9.0139 9.5628 9.5628 k =-0.4600 0.1712 0.0000 ( 4456 PWs) bands (ev): -9.2121 -9.2121 -9.1998 -9.1998 -9.1954 -9.1954 -9.1855 -9.1855 -8.3838 -8.3838 -8.3594 -8.3594 -8.3516 -8.3516 -8.3329 -8.3329 -8.3264 -8.3264 -8.3053 -8.3053 -7.2168 -7.2168 -6.9140 -6.9140 0.0180 0.0180 1.5929 1.5929 2.3050 2.3050 2.7466 2.7466 2.8900 2.8900 3.6681 3.6681 4.0749 4.0749 4.5762 4.5762 6.8608 6.8608 8.3637 8.3637 9.0405 9.0405 9.5366 9.5366 k =-0.4800 0.1787 0.0000 ( 4448 PWs) bands (ev): -9.2121 -9.2121 -9.1998 -9.1998 -9.1954 -9.1954 -9.1854 -9.1854 -8.3837 -8.3837 -8.3594 -8.3594 -8.3516 -8.3516 -8.3327 -8.3327 -8.3266 -8.3266 -8.3053 -8.3053 -7.2135 -7.2135 -6.9178 -6.9178 0.0123 0.0123 1.5922 1.5922 2.3052 2.3052 2.7570 2.7570 2.8786 2.8786 3.6690 3.6690 4.1103 4.1103 4.5778 4.5778 6.8199 6.8199 8.3594 8.3594 9.0600 9.0600 9.5049 9.5049 k =-0.5000 0.1861 0.0000 ( 4450 PWs) bands (ev): -9.2121 -9.2121 -9.1997 -9.1997 -9.1954 -9.1954 -9.1854 -9.1854 -8.3837 -8.3837 -8.3594 -8.3594 -8.3516 -8.3516 -8.3327 -8.3327 -8.3266 -8.3266 -8.3053 -8.3053 -7.2124 -7.2124 -6.9191 -6.9191 0.0103 0.0103 1.5920 1.5920 2.3053 2.3053 2.7610 2.7610 2.8742 2.8742 3.6693 3.6693 4.1224 4.1224 4.5783 4.5783 6.8060 6.8060 8.3580 8.3580 9.0673 9.0673 9.4930 9.4930 k =-0.5000 0.1861 0.0000 ( 4450 PWs) bands (ev): -9.2121 -9.2121 -9.1997 -9.1997 -9.1954 -9.1954 -9.1854 -9.1854 -8.3837 -8.3837 -8.3594 -8.3594 -8.3516 -8.3516 -8.3327 -8.3327 -8.3266 -8.3266 -8.3053 -8.3053 -7.2124 -7.2124 -6.9191 -6.9191 0.0103 0.0103 1.5920 1.5920 2.3053 2.3053 2.7610 2.7610 2.8742 2.8742 3.6693 3.6693 4.1224 4.1224 4.5783 4.5783 6.8060 6.8060 8.3580 8.3580 9.0673 9.0673 9.4930 9.4930 k =-0.4926 0.2061-0.0000 ( 4446 PWs) bands (ev): -9.2121 -9.2121 -9.1997 -9.1997 -9.1954 -9.1954 -9.1854 -9.1854 -8.3836 -8.3836 -8.3594 -8.3594 -8.3516 -8.3516 -8.3326 -8.3326 -8.3266 -8.3266 -8.3053 -8.3053 -7.2120 -7.2120 -6.9190 -6.9190 0.0085 0.0085 1.5904 1.5904 2.3060 2.3060 2.7604 2.7604 2.8762 2.8762 3.6673 3.6673 4.1263 4.1263 4.5780 4.5780 6.8064 6.8064 8.3531 8.3531 9.0706 9.0706 9.4921 9.4921 k =-0.4851 0.2260-0.0000 ( 4456 PWs) bands (ev): -9.2121 -9.2121 -9.1997 -9.1997 -9.1954 -9.1954 -9.1854 -9.1854 -8.3836 -8.3836 -8.3594 -8.3594 -8.3516 -8.3516 -8.3326 -8.3326 -8.3267 -8.3267 -8.3053 -8.3053 -7.2107 -7.2107 -6.9190 -6.9190 0.0031 0.0031 1.5857 1.5857 2.3079 2.3079 2.7587 2.7587 2.8822 2.8822 3.6618 3.6618 4.1376 4.1376 4.5772 4.5772 6.8075 6.8075 8.3386 8.3386 9.0807 9.0807 9.4886 9.4886 k =-0.4777 0.2460-0.0000 ( 4452 PWs) bands (ev): -9.2121 -9.2121 -9.1997 -9.1997 -9.1954 -9.1954 -9.1854 -9.1854 -8.3834 -8.3834 -8.3594 -8.3594 -8.3516 -8.3516 -8.3326 -8.3326 -8.3267 -8.3267 -8.3053 -8.3053 -7.2087 -7.2087 -6.9189 -6.9189 -0.0058 -0.0058 1.5779 1.5779 2.3112 2.3112 2.7564 2.7564 2.8916 2.8916 3.6535 3.6535 4.1555 4.1555 4.5757 4.5757 6.8096 6.8096 8.3147 8.3147 9.0971 9.0971 9.4805 9.4805 k =-0.4703 0.2659-0.0000 ( 4458 PWs) bands (ev): -9.2120 -9.2120 -9.1997 -9.1997 -9.1954 -9.1954 -9.1853 -9.1853 -8.3832 -8.3832 -8.3595 -8.3595 -8.3516 -8.3516 -8.3325 -8.3325 -8.3268 -8.3268 -8.3053 -8.3053 -7.2058 -7.2058 -6.9188 -6.9188 -0.0180 -0.0180 1.5668 1.5668 2.3160 2.3160 2.7539 2.7539 2.9039 2.9039 3.6433 3.6433 4.1790 4.1790 4.5736 4.5736 6.8126 6.8126 8.2821 8.2821 9.1194 9.1194 9.4656 9.4656 k =-0.4629 0.2859-0.0000 ( 4458 PWs) bands (ev): -9.2120 -9.2120 -9.1997 -9.1997 -9.1954 -9.1954 -9.1853 -9.1853 -8.3830 -8.3830 -8.3595 -8.3595 -8.3517 -8.3517 -8.3324 -8.3324 -8.3270 -8.3270 -8.3053 -8.3053 -7.2022 -7.2022 -6.9186 -6.9186 -0.0334 -0.0334 1.5526 1.5526 2.3222 2.3222 2.7517 2.7517 2.9186 2.9186 3.6321 3.6321 4.2070 4.2070 4.5707 4.5707 6.8167 6.8167 8.2415 8.2415 9.1466 9.1466 9.4426 9.4426 k =-0.4554 0.3058-0.0000 ( 4458 PWs) bands (ev): -9.2119 -9.2119 -9.1997 -9.1997 -9.1954 -9.1954 -9.1853 -9.1853 -8.3827 -8.3827 -8.3596 -8.3596 -8.3517 -8.3517 -8.3322 -8.3322 -8.3271 -8.3271 -8.3052 -8.3052 -7.1978 -7.1978 -6.9185 -6.9185 -0.0517 -0.0517 1.5352 1.5352 2.3300 2.3300 2.7500 2.7500 2.9354 2.9354 3.6208 3.6208 4.2386 4.2386 4.5671 4.5671 6.8221 6.8221 8.1936 8.1936 9.1763 9.1763 9.4112 9.4112 k =-0.4480 0.3258-0.0000 ( 4456 PWs) bands (ev): -9.2118 -9.2118 -9.1997 -9.1997 -9.1954 -9.1954 -9.1852 -9.1852 -8.3824 -8.3824 -8.3596 -8.3596 -8.3517 -8.3517 -8.3321 -8.3321 -8.3272 -8.3272 -8.3052 -8.3052 -7.1926 -7.1926 -6.9183 -6.9183 -0.0726 -0.0726 1.5146 1.5146 2.3393 2.3393 2.7491 2.7491 2.9539 2.9539 3.6102 3.6102 4.2727 4.2727 4.5626 4.5626 6.8289 6.8289 8.1395 8.1395 9.2025 9.2025 9.3717 9.3717 k =-0.4406 0.3457-0.0000 ( 4458 PWs) bands (ev): -9.2117 -9.2117 -9.1997 -9.1997 -9.1954 -9.1954 -9.1852 -9.1852 -8.3820 -8.3820 -8.3597 -8.3597 -8.3517 -8.3517 -8.3319 -8.3319 -8.3274 -8.3274 -8.3052 -8.3052 -7.1866 -7.1866 -6.9183 -6.9183 -0.0958 -0.0958 1.4910 1.4910 2.3503 2.3503 2.7490 2.7490 2.9740 2.9740 3.6006 3.6006 4.3084 4.3084 4.5576 4.5576 6.8374 6.8374 8.0801 8.0801 9.2067 9.2067 9.3204 9.3204 k =-0.4332 0.3657-0.0000 ( 4462 PWs) bands (ev): -9.2116 -9.2116 -9.1996 -9.1996 -9.1954 -9.1954 -9.1852 -9.1852 -8.3816 -8.3816 -8.3597 -8.3597 -8.3517 -8.3517 -8.3318 -8.3318 -8.3276 -8.3276 -8.3051 -8.3051 -7.1800 -7.1800 -6.9183 -6.9183 -0.1210 -0.1210 1.4645 1.4645 2.3627 2.3627 2.7497 2.7497 2.9954 2.9954 3.5926 3.5926 4.3446 4.3446 4.5523 4.5523 6.8477 6.8477 8.0164 8.0164 9.1554 9.1554 9.2568 9.2568 k =-0.4257 0.3856-0.0000 ( 4465 PWs) bands (ev): -9.2115 -9.2115 -9.1996 -9.1996 -9.1954 -9.1954 -9.1851 -9.1851 -8.3812 -8.3812 -8.3598 -8.3598 -8.3517 -8.3517 -8.3316 -8.3316 -8.3278 -8.3278 -8.3051 -8.3051 -7.1726 -7.1726 -6.9184 -6.9184 -0.1478 -0.1478 1.4354 1.4354 2.3767 2.3767 2.7514 2.7514 3.0180 3.0180 3.5863 3.5863 4.3799 4.3799 4.5480 4.5480 6.8600 6.8600 7.9493 7.9493 9.0549 9.0549 9.1935 9.1935 k =-0.4183 0.4056-0.0000 ( 4461 PWs) bands (ev): -9.2113 -9.2113 -9.1996 -9.1996 -9.1954 -9.1954 -9.1851 -9.1851 -8.3807 -8.3807 -8.3599 -8.3599 -8.3517 -8.3517 -8.3314 -8.3314 -8.3280 -8.3280 -8.3050 -8.3050 -7.1645 -7.1645 -6.9186 -6.9186 -0.1758 -0.1758 1.4039 1.4039 2.3919 2.3919 2.7538 2.7538 3.0415 3.0415 3.5819 3.5819 4.4114 4.4114 4.5469 4.5469 6.8743 6.8743 7.8798 7.8798 8.9366 8.9366 9.1266 9.1266 k =-0.4109 0.4255-0.0000 ( 4457 PWs) bands (ev): -9.2112 -9.2112 -9.1996 -9.1996 -9.1953 -9.1953 -9.1851 -9.1851 -8.3802 -8.3802 -8.3600 -8.3600 -8.3518 -8.3518 -8.3312 -8.3312 -8.3282 -8.3282 -8.3050 -8.3050 -7.1558 -7.1558 -6.9190 -6.9190 -0.2047 -0.2047 1.3702 1.3702 2.4083 2.4083 2.7570 2.7570 3.0659 3.0659 3.5794 3.5794 4.4344 4.4344 4.5536 4.5536 6.8907 6.8907 7.8089 7.8089 8.8129 8.8129 9.0546 9.0546 k =-0.4035 0.4455-0.0000 ( 4471 PWs) bands (ev): -9.2110 -9.2110 -9.1995 -9.1995 -9.1953 -9.1953 -9.1851 -9.1851 -8.3796 -8.3796 -8.3602 -8.3602 -8.3518 -8.3518 -8.3310 -8.3310 -8.3284 -8.3284 -8.3049 -8.3049 -7.1465 -7.1465 -6.9196 -6.9196 -0.2341 -0.2341 1.3347 1.3347 2.4256 2.4256 2.7610 2.7610 3.0909 3.0909 3.5789 3.5789 4.4443 4.4443 4.5726 4.5726 6.9092 6.9092 7.7376 7.7376 8.6878 8.6878 8.9780 8.9780 k =-0.3960 0.4654-0.0000 ( 4479 PWs) bands (ev): -9.2109 -9.2109 -9.1995 -9.1995 -9.1953 -9.1953 -9.1850 -9.1850 -8.3791 -8.3791 -8.3603 -8.3603 -8.3518 -8.3518 -8.3308 -8.3308 -8.3286 -8.3286 -8.3049 -8.3049 -7.1366 -7.1366 -6.9204 -6.9204 -0.2636 -0.2636 1.2978 1.2978 2.4435 2.4435 2.7656 2.7656 3.1164 3.1164 3.5803 3.5803 4.4426 4.4426 4.6024 4.6024 6.9295 6.9295 7.6668 7.6668 8.5632 8.5632 8.8976 8.8976 k =-0.3886 0.4854-0.0000 ( 4479 PWs) bands (ev): -9.2107 -9.2107 -9.1995 -9.1995 -9.1953 -9.1953 -9.1850 -9.1850 -8.3785 -8.3785 -8.3604 -8.3604 -8.3518 -8.3518 -8.3307 -8.3307 -8.3287 -8.3287 -8.3048 -8.3048 -7.1262 -7.1262 -6.9215 -6.9215 -0.2929 -0.2929 1.2598 1.2598 2.4615 2.4615 2.7710 2.7710 3.1421 3.1421 3.5835 3.5835 4.4342 4.4342 4.6382 4.6382 6.9511 6.9511 7.5977 7.5977 8.4403 8.4403 8.8139 8.8139 k =-0.3812 0.5053-0.0000 ( 4477 PWs) bands (ev): -9.2106 -9.2106 -9.1994 -9.1994 -9.1953 -9.1953 -9.1850 -9.1850 -8.3779 -8.3779 -8.3606 -8.3606 -8.3518 -8.3518 -8.3306 -8.3306 -8.3288 -8.3288 -8.3048 -8.3048 -7.1153 -7.1153 -6.9229 -6.9229 -0.3217 -0.3217 1.2210 1.2210 2.4793 2.4793 2.7771 2.7771 3.1677 3.1677 3.5885 3.5885 4.4227 4.4227 4.6767 4.6767 6.9735 6.9735 7.5315 7.5315 8.3200 8.3200 8.7278 8.7278 k =-0.3738 0.5253-0.0000 ( 4485 PWs) bands (ev): -9.2104 -9.2104 -9.1994 -9.1994 -9.1953 -9.1953 -9.1850 -9.1850 -8.3773 -8.3773 -8.3608 -8.3608 -8.3518 -8.3518 -8.3306 -8.3306 -8.3289 -8.3289 -8.3048 -8.3048 -7.1039 -7.1039 -6.9247 -6.9247 -0.3496 -0.3496 1.1818 1.1818 2.4962 2.4962 2.7841 2.7841 3.1929 3.1929 3.5951 3.5951 4.4099 4.4099 4.7161 4.7161 6.9955 6.9955 7.4698 7.4698 8.2030 8.2030 8.6399 8.6399 k =-0.3663 0.5452-0.0000 ( 4477 PWs) bands (ev): -9.2102 -9.2102 -9.1994 -9.1994 -9.1953 -9.1953 -9.1850 -9.1850 -8.3767 -8.3767 -8.3610 -8.3610 -8.3518 -8.3518 -8.3306 -8.3306 -8.3288 -8.3288 -8.3047 -8.3047 -7.0921 -7.0921 -6.9268 -6.9268 -0.3764 -0.3764 1.1426 1.1426 2.5117 2.5117 2.7921 2.7921 3.2175 3.2175 3.6031 3.6031 4.3972 4.3972 4.7554 4.7554 7.0150 7.0151 7.4148 7.4148 8.0901 8.0901 8.5511 8.5511 k =-0.3589 0.5652-0.0000 ( 4469 PWs) bands (ev): -9.2100 -9.2100 -9.1993 -9.1993 -9.1953 -9.1953 -9.1851 -9.1851 -8.3762 -8.3762 -8.3612 -8.3612 -8.3517 -8.3517 -8.3307 -8.3307 -8.3287 -8.3287 -8.3047 -8.3047 -7.0799 -7.0799 -6.9294 -6.9294 -0.4017 -0.4017 1.1036 1.1036 2.5249 2.5249 2.8016 2.8016 3.2409 3.2409 3.6125 3.6125 4.3855 4.3855 4.7940 4.7940 7.0292 7.0292 7.3695 7.3695 7.9819 7.9819 8.4623 8.4623 k =-0.3515 0.5851-0.0000 ( 4473 PWs) bands (ev): -9.2099 -9.2099 -9.1993 -9.1993 -9.1953 -9.1953 -9.1851 -9.1851 -8.3756 -8.3756 -8.3614 -8.3614 -8.3517 -8.3517 -8.3308 -8.3308 -8.3286 -8.3286 -8.3046 -8.3046 -7.0673 -7.0673 -6.9325 -6.9325 -0.4252 -0.4252 1.0653 1.0653 2.5352 2.5352 2.8126 2.8126 3.2627 3.2627 3.6232 3.6232 4.3756 4.3756 4.8314 4.8314 7.0341 7.0341 7.3377 7.3377 7.8793 7.8793 8.3744 8.3744 k =-0.3441 0.6051-0.0000 ( 4477 PWs) bands (ev): -9.2097 -9.2097 -9.1992 -9.1992 -9.1953 -9.1953 -9.1852 -9.1852 -8.3751 -8.3751 -8.3616 -8.3616 -8.3517 -8.3517 -8.3309 -8.3309 -8.3284 -8.3284 -8.3046 -8.3046 -7.0545 -7.0545 -6.9361 -6.9361 -0.4467 -0.4467 1.0278 1.0278 2.5417 2.5417 2.8256 2.8256 3.2824 3.2824 3.6351 3.6351 4.3682 4.3682 4.8669 4.8669 7.0266 7.0266 7.3216 7.3216 7.7831 7.7831 8.2888 8.2888 k =-0.3366 0.6250-0.0000 ( 4473 PWs) bands (ev): -9.2095 -9.2095 -9.1992 -9.1992 -9.1953 -9.1953 -9.1852 -9.1852 -8.3745 -8.3745 -8.3619 -8.3619 -8.3516 -8.3516 -8.3311 -8.3311 -8.3282 -8.3282 -8.3046 -8.3046 -7.0415 -7.0415 -6.9401 -6.9401 -0.4660 -0.4660 0.9914 0.9914 2.5440 2.5440 2.8406 2.8406 3.2996 3.2996 3.6481 3.6481 4.3640 4.3640 4.9001 4.9001 7.0076 7.0076 7.3191 7.3191 7.6943 7.6943 8.2071 8.2071 k =-0.3292 0.6450-0.0000 ( 4469 PWs) bands (ev): -9.2093 -9.2093 -9.1991 -9.1991 -9.1953 -9.1953 -9.1853 -9.1853 -8.3740 -8.3740 -8.3622 -8.3622 -8.3515 -8.3515 -8.3312 -8.3312 -8.3280 -8.3280 -8.3046 -8.3046 -7.0283 -7.0283 -6.9448 -6.9448 -0.4829 -0.4829 0.9565 0.9565 2.5416 2.5416 2.8577 2.8577 3.3137 3.3137 3.6622 3.6622 4.3636 4.3636 4.9305 4.9305 6.9813 6.9813 7.3237 7.3237 7.6142 7.6142 8.1319 8.1319 k =-0.3218 0.6649-0.0000 ( 4483 PWs) bands (ev): -9.2092 -9.2092 -9.1991 -9.1991 -9.1953 -9.1953 -9.1854 -9.1854 -8.3736 -8.3736 -8.3624 -8.3624 -8.3514 -8.3514 -8.3314 -8.3314 -8.3278 -8.3278 -8.3045 -8.3045 -7.0150 -7.0150 -6.9500 -6.9500 -0.4971 -0.4971 0.9233 0.9233 2.5345 2.5345 2.8766 2.8766 3.3243 3.3243 3.6772 3.6772 4.3674 4.3674 4.9574 4.9574 6.9525 6.9525 7.3270 7.3270 7.5448 7.5448 8.0663 8.0663 k =-0.3143 0.6848-0.0000 ( 4487 PWs) bands (ev): -9.2090 -9.2090 -9.1991 -9.1991 -9.1953 -9.1953 -9.1856 -9.1856 -8.3732 -8.3732 -8.3627 -8.3627 -8.3513 -8.3513 -8.3315 -8.3315 -8.3276 -8.3276 -8.3045 -8.3045 -7.0016 -7.0016 -6.9558 -6.9558 -0.5084 -0.5084 0.8919 0.8919 2.5226 2.5226 2.8970 2.8970 3.3310 3.3310 3.6932 3.6932 4.3755 4.3755 4.9804 4.9804 6.9243 6.9243 7.3209 7.3209 7.4875 7.4875 8.0148 8.0148 k =-0.3069 0.7048-0.0000 ( 4483 PWs) bands (ev): -9.2088 -9.2088 -9.1990 -9.1990 -9.1953 -9.1953 -9.1857 -9.1857 -8.3728 -8.3728 -8.3630 -8.3630 -8.3512 -8.3512 -8.3317 -8.3317 -8.3274 -8.3274 -8.3045 -8.3045 -6.9883 -6.9883 -6.9621 -6.9621 -0.5168 -0.5168 0.8627 0.8627 2.5063 2.5063 2.9184 2.9184 3.3338 3.3338 3.7100 3.7100 4.3882 4.3882 4.9987 4.9987 6.8990 6.8990 7.3013 7.3013 7.4412 7.4412 7.9821 7.9821 k =-0.2995 0.7247-0.0000 ( 4483 PWs) bands (ev): -9.2087 -9.2087 -9.1990 -9.1990 -9.1953 -9.1953 -9.1859 -9.1859 -8.3725 -8.3725 -8.3633 -8.3633 -8.3511 -8.3511 -8.3318 -8.3318 -8.3273 -8.3273 -8.3045 -8.3045 -6.9760 -6.9760 -6.9681 -6.9681 -0.5220 -0.5220 0.8356 0.8356 2.4857 2.4857 2.9405 2.9405 3.3325 3.3325 3.7273 3.7273 4.4053 4.4053 5.0121 5.0121 6.8778 6.8778 7.2711 7.2711 7.3996 7.3996 7.9710 7.9710 k =-0.2921 0.7447-0.0000 ( 4483 PWs) bands (ev): -9.2085 -9.2085 -9.1990 -9.1990 -9.1952 -9.1952 -9.1860 -9.1860 -8.3723 -8.3723 -8.3635 -8.3635 -8.3509 -8.3509 -8.3319 -8.3319 -8.3271 -8.3271 -8.3046 -8.3046 -6.9779 -6.9779 -6.9605 -6.9605 -0.5240 -0.5240 0.8111 0.8111 2.4612 2.4612 2.9626 2.9626 3.3273 3.3273 3.7449 3.7449 4.4265 4.4265 5.0199 5.0199 6.8615 6.8615 7.2361 7.2361 7.3579 7.3579 7.9813 7.9813 k =-0.2846 0.7646-0.0000 ( 4491 PWs) bands (ev): -9.2084 -9.2084 -9.1990 -9.1990 -9.1952 -9.1952 -9.1862 -9.1862 -8.3721 -8.3721 -8.3638 -8.3638 -8.3508 -8.3508 -8.3321 -8.3321 -8.3269 -8.3269 -8.3046 -8.3046 -6.9859 -6.9859 -6.9476 -6.9476 -0.5226 -0.5226 0.7891 0.7891 2.4332 2.4332 2.9845 2.9845 3.3184 3.3184 3.7626 3.7626 4.4513 4.4513 5.0221 5.0221 6.8502 6.8502 7.1981 7.1981 7.3181 7.3181 8.0094 8.0095 k =-0.2846 0.7646-0.0000 ( 4491 PWs) bands (ev): -9.2084 -9.2084 -9.1990 -9.1990 -9.1952 -9.1952 -9.1862 -9.1862 -8.3721 -8.3721 -8.3638 -8.3638 -8.3508 -8.3508 -8.3321 -8.3321 -8.3269 -8.3269 -8.3046 -8.3046 -6.9859 -6.9859 -6.9476 -6.9476 -0.5226 -0.5226 0.7891 0.7891 2.4332 2.4332 2.9845 2.9845 3.3184 3.3184 3.7626 3.7626 4.4513 4.4513 5.0221 5.0221 6.8502 6.8502 7.1981 7.1981 7.3181 7.3181 8.0094 8.0095 k =-0.2846 0.7646 0.0217 ( 4485 PWs) bands (ev): -9.2084 -9.2084 -9.1990 -9.1990 -9.1953 -9.1953 -9.1862 -9.1862 -8.3721 -8.3721 -8.3639 -8.3639 -8.3507 -8.3507 -8.3322 -8.3322 -8.3268 -8.3268 -8.3046 -8.3046 -6.9856 -6.9856 -6.9473 -6.9473 -0.5212 -0.5212 0.7898 0.7898 2.4310 2.4310 2.9815 2.9815 3.3167 3.3167 3.7594 3.7594 4.4526 4.4526 5.0109 5.0109 6.8627 6.8627 7.1977 7.1977 7.3205 7.3205 8.0134 8.0134 k =-0.2846 0.7646 0.0433 ( 4483 PWs) bands (ev): -9.2084 -9.2084 -9.1991 -9.1991 -9.1953 -9.1953 -9.1862 -9.1862 -8.3721 -8.3721 -8.3643 -8.3643 -8.3506 -8.3506 -8.3325 -8.3325 -8.3266 -8.3266 -8.3047 -8.3047 -6.9845 -6.9845 -6.9464 -6.9464 -0.5169 -0.5169 0.7922 0.7922 2.4245 2.4245 2.9725 2.9725 3.3117 3.3117 3.7501 3.7501 4.4561 4.4561 4.9786 4.9786 6.8978 6.8978 7.1951 7.1951 7.3306 7.3306 8.0254 8.0254 k =-0.2846 0.7646 0.0650 ( 4477 PWs) bands (ev): -9.2084 -9.2084 -9.1991 -9.1991 -9.1955 -9.1955 -9.1862 -9.1862 -8.3723 -8.3723 -8.3649 -8.3649 -8.3503 -8.3503 -8.3329 -8.3329 -8.3263 -8.3263 -8.3050 -8.3050 -6.9827 -6.9827 -6.9448 -6.9448 -0.5097 -0.5097 0.7960 0.7960 2.4135 2.4135 2.9581 2.9581 3.3036 3.3036 3.7348 3.7348 4.4604 4.4604 4.9293 4.9293 6.9478 6.9478 7.1905 7.1905 7.3543 7.3543 8.0452 8.0452 k =-0.2846 0.7646 0.0867 ( 4479 PWs) bands (ev): -9.2084 -9.2084 -9.1993 -9.1993 -9.1957 -9.1957 -9.1861 -9.1861 -8.3724 -8.3724 -8.3656 -8.3656 -8.3499 -8.3499 -8.3334 -8.3334 -8.3259 -8.3259 -8.3053 -8.3053 -6.9803 -6.9803 -6.9428 -6.9428 -0.4996 -0.4996 0.8013 0.8013 2.3980 2.3980 2.9385 2.9385 3.2929 3.2929 3.7139 3.7139 4.4633 4.4633 4.8682 4.8682 6.9947 6.9947 7.1973 7.1973 7.3940 7.3940 8.0726 8.0726 k =-0.2846 0.7646 0.1083 ( 4478 PWs) bands (ev): -9.2085 -9.2085 -9.1994 -9.1994 -9.1959 -9.1959 -9.1860 -9.1860 -8.3726 -8.3726 -8.3664 -8.3664 -8.3496 -8.3496 -8.3339 -8.3339 -8.3255 -8.3255 -8.3056 -8.3056 -6.9771 -6.9771 -6.9401 -6.9401 -0.4866 -0.4866 0.8080 0.8080 2.3779 2.3779 2.9145 2.9145 3.2800 3.2800 3.6877 3.6877 4.4613 4.4613 4.8020 4.8020 7.0104 7.0104 7.2420 7.2420 7.4489 7.4489 8.1076 8.1076 k =-0.2846 0.7646 0.1300 ( 4488 PWs) bands (ev): -9.2086 -9.2086 -9.1996 -9.1996 -9.1962 -9.1962 -9.1860 -9.1860 -8.3730 -8.3730 -8.3673 -8.3673 -8.3493 -8.3493 -8.3345 -8.3345 -8.3252 -8.3252 -8.3061 -8.3061 -6.9734 -6.9734 -6.9369 -6.9369 -0.4708 -0.4708 0.8161 0.8161 2.3531 2.3531 2.8866 2.8866 3.2655 3.2655 3.6562 3.6562 4.4496 4.4496 4.7384 4.7384 6.9934 6.9934 7.3253 7.3253 7.5180 7.5180 8.1499 8.1499 k =-0.2846 0.7646 0.1516 ( 4484 PWs) bands (ev): -9.2087 -9.2087 -9.1998 -9.1998 -9.1966 -9.1966 -9.1859 -9.1859 -8.3734 -8.3734 -8.3682 -8.3682 -8.3491 -8.3491 -8.3350 -8.3350 -8.3248 -8.3248 -8.3066 -8.3066 -6.9690 -6.9690 -6.9333 -6.9333 -0.4521 -0.4521 0.8255 0.8255 2.3237 2.3237 2.8555 2.8555 3.2500 3.2500 3.6194 3.6194 4.4228 4.4228 4.6850 4.6850 6.9623 6.9623 7.4272 7.4272 7.6005 7.6005 8.1991 8.1991 k =-0.2846 0.7646 0.1733 ( 4482 PWs) bands (ev): -9.2088 -9.2088 -9.1999 -9.1999 -9.1970 -9.1970 -9.1858 -9.1858 -8.3740 -8.3740 -8.3690 -8.3690 -8.3490 -8.3490 -8.3355 -8.3355 -8.3244 -8.3244 -8.3071 -8.3071 -6.9640 -6.9640 -6.9291 -6.9291 -0.4306 -0.4306 0.8360 0.8360 2.2899 2.2899 2.8218 2.8218 3.2335 3.2335 3.5773 3.5773 4.3788 4.3788 4.6458 4.6458 6.9280 6.9280 7.5356 7.5356 7.6962 7.6962 8.2550 8.2550 k =-0.2846 0.7646 0.1950 ( 4486 PWs) bands (ev): -9.2090 -9.2090 -9.2001 -9.2001 -9.1974 -9.1974 -9.1857 -9.1857 -8.3748 -8.3748 -8.3697 -8.3697 -8.3491 -8.3491 -8.3359 -8.3359 -8.3241 -8.3241 -8.3077 -8.3077 -6.9586 -6.9586 -6.9245 -6.9245 -0.4062 -0.4062 0.8476 0.8476 2.2520 2.2520 2.7859 2.7859 3.2161 3.2161 3.5302 3.5302 4.3222 4.3222 4.6176 4.6176 6.8954 6.8954 7.6443 7.6443 7.8044 7.8044 8.3172 8.3172 k =-0.2846 0.7646 0.2166 ( 4480 PWs) bands (ev): -9.2092 -9.2092 -9.2002 -9.2002 -9.1979 -9.1979 -9.1857 -9.1857 -8.3758 -8.3758 -8.3703 -8.3703 -8.3493 -8.3493 -8.3361 -8.3361 -8.3238 -8.3238 -8.3083 -8.3083 -6.9527 -6.9527 -6.9196 -6.9196 -0.3790 -0.3790 0.8601 0.8601 2.2105 2.2105 2.7483 2.7483 3.1968 3.1968 3.4790 3.4790 4.2607 4.2607 4.5939 4.5939 6.8673 6.8673 7.7509 7.7509 7.9227 7.9227 8.3849 8.3849 k =-0.2846 0.7646 0.2383 ( 4472 PWs) bands (ev): -9.2095 -9.2095 -9.2003 -9.2003 -9.1984 -9.1984 -9.1856 -9.1856 -8.3769 -8.3769 -8.3707 -8.3707 -8.3496 -8.3496 -8.3363 -8.3363 -8.3236 -8.3236 -8.3088 -8.3088 -6.9464 -6.9464 -6.9143 -6.9143 -0.3489 -0.3489 0.8733 0.8733 2.1659 2.1659 2.7093 2.7093 3.1738 3.1738 3.4261 3.4261 4.1997 4.1997 4.5699 4.5699 6.8454 6.8454 7.8545 7.8545 8.0481 8.0481 8.4577 8.4577 k =-0.2846 0.7646 0.2600 ( 4474 PWs) bands (ev): -9.2098 -9.2098 -9.2004 -9.2004 -9.1989 -9.1989 -9.1856 -9.1856 -8.3781 -8.3781 -8.3711 -8.3711 -8.3502 -8.3502 -8.3363 -8.3363 -8.3235 -8.3235 -8.3094 -8.3094 -6.9397 -6.9397 -6.9088 -6.9088 -0.3161 -0.3161 0.8871 0.8871 2.1188 2.1188 2.6691 2.6691 3.1433 3.1433 3.3761 3.3761 4.1423 4.1423 4.5430 4.5430 6.8307 6.8307 7.9546 7.9546 8.1774 8.1774 8.5345 8.5345 k =-0.2846 0.7646 0.2816 ( 4473 PWs) bands (ev): -9.2101 -9.2101 -9.2005 -9.2005 -9.1993 -9.1993 -9.1856 -9.1856 -8.3794 -8.3794 -8.3714 -8.3714 -8.3508 -8.3508 -8.3363 -8.3363 -8.3234 -8.3234 -8.3098 -8.3098 -6.9327 -6.9327 -6.9030 -6.9030 -0.2804 -0.2804 0.9013 0.9013 2.0700 2.0700 2.6278 2.6278 3.1011 3.1011 3.3345 3.3345 4.0895 4.0895 4.5119 4.5119 6.8237 6.8237 8.0497 8.0497 8.3084 8.3084 8.6145 8.6145 k =-0.2846 0.7646 0.3033 ( 4465 PWs) bands (ev): -9.2104 -9.2104 -9.2007 -9.2007 -9.1996 -9.1996 -9.1856 -9.1856 -8.3807 -8.3807 -8.3718 -8.3718 -8.3514 -8.3514 -8.3363 -8.3363 -8.3234 -8.3234 -8.3103 -8.3103 -6.9255 -6.9255 -6.8970 -6.8970 -0.2420 -0.2420 0.9157 0.9157 2.0199 2.0199 2.5850 2.5850 3.0455 3.0455 3.3050 3.3050 4.0415 4.0415 4.4764 4.4764 6.8245 6.8245 8.1379 8.1379 8.4396 8.4396 8.6966 8.6966 k =-0.2846 0.7646 0.3250 ( 4467 PWs) bands (ev): -9.2108 -9.2108 -9.2012 -9.2012 -9.1997 -9.1997 -9.1856 -9.1856 -8.3821 -8.3821 -8.3721 -8.3721 -8.3522 -8.3522 -8.3363 -8.3363 -8.3234 -8.3234 -8.3106 -8.3106 -6.9182 -6.9182 -6.8910 -6.8910 -0.2009 -0.2009 0.9300 0.9300 1.9693 1.9693 2.5403 2.5403 2.9798 2.9798 3.2863 3.2863 3.9975 3.9975 4.4369 4.4369 6.8330 6.8330 8.2163 8.2163 8.5697 8.5697 8.7797 8.7797 k =-0.2846 0.7646 0.3466 ( 4462 PWs) bands (ev): -9.2112 -9.2112 -9.2018 -9.2018 -9.1996 -9.1996 -9.1856 -9.1856 -8.3834 -8.3834 -8.3725 -8.3725 -8.3529 -8.3529 -8.3363 -8.3363 -8.3234 -8.3234 -8.3109 -8.3109 -6.9108 -6.9108 -6.8849 -6.8849 -0.1571 -0.1571 0.9439 0.9439 1.9187 1.9187 2.4925 2.4925 2.9101 2.9101 3.2751 3.2751 3.9569 3.9569 4.3941 4.3941 6.8488 6.8488 8.2823 8.2823 8.6979 8.6979 8.8631 8.8631 k =-0.2846 0.7646 0.3683 ( 4458 PWs) bands (ev): -9.2116 -9.2116 -9.2024 -9.2024 -9.1995 -9.1995 -9.1856 -9.1856 -8.3847 -8.3847 -8.3728 -8.3728 -8.3535 -8.3535 -8.3365 -8.3365 -8.3234 -8.3234 -8.3111 -8.3111 -6.9033 -6.9033 -6.8789 -6.8789 -0.1106 -0.1106 0.9573 0.9573 1.8685 1.8685 2.4399 2.4399 2.8423 2.8423 3.2685 3.2685 3.9189 3.9189 4.3490 4.3490 6.8714 6.8714 8.3333 8.3333 8.8227 8.8227 8.9462 8.9462 k =-0.2846 0.7646 0.3900 ( 4456 PWs) bands (ev): -9.2120 -9.2120 -9.2030 -9.2030 -9.1993 -9.1993 -9.1857 -9.1857 -8.3859 -8.3859 -8.3732 -8.3732 -8.3541 -8.3541 -8.3368 -8.3368 -8.3234 -8.3234 -8.3113 -8.3113 -6.8959 -6.8959 -6.8729 -6.8729 -0.0615 -0.0615 0.9699 0.9699 1.8193 1.8193 2.3808 2.3808 2.7813 2.7813 3.2643 3.2643 3.8828 3.8828 4.3027 4.3027 6.9003 6.9003 8.3676 8.3676 8.9424 8.9424 9.0291 9.0291 k =-0.2846 0.7646 0.4116 ( 4454 PWs) bands (ev): -9.2125 -9.2125 -9.2036 -9.2036 -9.1991 -9.1991 -9.1858 -9.1858 -8.3871 -8.3871 -8.3737 -8.3737 -8.3545 -8.3545 -8.3372 -8.3372 -8.3233 -8.3233 -8.3114 -8.3114 -6.8886 -6.8886 -6.8671 -6.8671 -0.0099 -0.0099 0.9814 0.9814 1.7715 1.7715 2.3139 2.3139 2.7308 2.7308 3.2609 3.2609 3.8483 3.8483 4.2564 4.2564 6.9349 6.9349 8.3845 8.3845 9.0534 9.0534 9.1130 9.1130 k =-0.2846 0.7646 0.4333 ( 4443 PWs) bands (ev): -9.2129 -9.2129 -9.2042 -9.2042 -9.1988 -9.1988 -9.1859 -9.1859 -8.3883 -8.3883 -8.3741 -8.3741 -8.3549 -8.3549 -8.3377 -8.3377 -8.3232 -8.3232 -8.3115 -8.3115 -6.8814 -6.8814 -6.8614 -6.8614 0.0442 0.0442 0.9915 0.9915 1.7252 1.7252 2.2395 2.2395 2.6922 2.6922 3.2567 3.2567 3.8152 3.8152 4.2110 4.2110 6.9746 6.9746 8.3847 8.3847 9.1501 9.1501 9.2008 9.2008 k =-0.2846 0.7646 0.4549 ( 4443 PWs) bands (ev): -9.2132 -9.2132 -9.2048 -9.2048 -9.1986 -9.1986 -9.1860 -9.1860 -8.3893 -8.3893 -8.3746 -8.3746 -8.3552 -8.3552 -8.3384 -8.3384 -8.3229 -8.3229 -8.3116 -8.3116 -6.8745 -6.8745 -6.8561 -6.8561 0.1007 0.1007 0.9999 0.9999 1.6810 1.6810 2.1592 2.1592 2.6655 2.6655 3.2506 3.2506 3.7840 3.7840 4.1674 4.1674 7.0189 7.0189 8.3696 8.3696 9.2312 9.2312 9.2909 9.2909 k =-0.2846 0.7646 0.4766 ( 4444 PWs) bands (ev): -9.2136 -9.2136 -9.2054 -9.2054 -9.1983 -9.1983 -9.1861 -9.1861 -8.3903 -8.3903 -8.3751 -8.3751 -8.3553 -8.3553 -8.3392 -8.3392 -8.3226 -8.3226 -8.3117 -8.3117 -6.8679 -6.8679 -6.8511 -6.8511 0.1594 0.1594 1.0065 1.0065 1.6389 1.6389 2.0752 2.0752 2.6496 2.6496 3.2410 3.2410 3.7554 3.7554 4.1263 4.1263 7.0672 7.0672 8.3415 8.3415 9.3014 9.3014 9.3755 9.3755 k =-0.2846 0.7646 0.4983 ( 4448 PWs) bands (ev): -9.2140 -9.2140 -9.2059 -9.2059 -9.1981 -9.1981 -9.1863 -9.1863 -8.3912 -8.3912 -8.3757 -8.3757 -8.3553 -8.3553 -8.3401 -8.3401 -8.3223 -8.3223 -8.3118 -8.3118 -6.8617 -6.8617 -6.8464 -6.8464 0.2202 0.2202 1.0108 1.0108 1.5991 1.5991 1.9901 1.9901 2.6433 2.6433 3.2269 3.2269 3.7302 3.7302 4.0882 4.0882 7.1192 7.1192 8.3025 8.3025 9.3634 9.3634 9.4495 9.4495 k =-0.2846 0.7646 0.5199 ( 4448 PWs) bands (ev): -9.2143 -9.2143 -9.2064 -9.2064 -9.1978 -9.1978 -9.1864 -9.1864 -8.3921 -8.3921 -8.3762 -8.3762 -8.3551 -8.3551 -8.3410 -8.3410 -8.3219 -8.3219 -8.3118 -8.3118 -6.8559 -6.8559 -6.8422 -6.8422 0.2830 0.2830 1.0125 1.0125 1.5617 1.5617 1.9060 1.9060 2.6453 2.6453 3.2072 3.2072 3.7094 3.7094 4.0533 4.0533 7.1744 7.1744 8.2549 8.2549 9.4177 9.4177 9.5110 9.5110 k =-0.2846 0.7646 0.5416 ( 4454 PWs) bands (ev): -9.2146 -9.2146 -9.2069 -9.2069 -9.1975 -9.1975 -9.1865 -9.1865 -8.3928 -8.3928 -8.3767 -8.3767 -8.3549 -8.3549 -8.3420 -8.3420 -8.3215 -8.3215 -8.3119 -8.3119 -6.8505 -6.8505 -6.8385 -6.8385 0.3473 0.3473 1.0109 1.0109 1.5266 1.5266 1.8253 1.8253 2.6546 2.6546 3.1815 3.1815 3.6936 3.6936 4.0218 4.0218 7.2323 7.2323 8.2006 8.2006 9.4643 9.4643 9.5600 9.5600 k =-0.2846 0.7646 0.5633 ( 4449 PWs) bands (ev): -9.2148 -9.2148 -9.2073 -9.2073 -9.1973 -9.1973 -9.1867 -9.1867 -8.3934 -8.3934 -8.3771 -8.3771 -8.3546 -8.3546 -8.3430 -8.3430 -8.3211 -8.3211 -8.3120 -8.3120 -6.8456 -6.8456 -6.8352 -6.8352 0.4129 0.4129 1.0053 1.0053 1.4938 1.4938 1.7502 1.7502 2.6705 2.6705 3.1501 3.1501 3.6830 3.6830 3.9935 3.9935 7.2925 7.2925 8.1413 8.1413 9.5031 9.5031 9.5977 9.5977 k =-0.2846 0.7646 0.5849 ( 4452 PWs) bands (ev): -9.2150 -9.2150 -9.2076 -9.2076 -9.1971 -9.1971 -9.1868 -9.1868 -8.3940 -8.3940 -8.3776 -8.3776 -8.3542 -8.3542 -8.3440 -8.3440 -8.3208 -8.3208 -8.3121 -8.3121 -6.8413 -6.8413 -6.8326 -6.8326 0.4792 0.4792 0.9948 0.9948 1.4631 1.4631 1.6834 1.6834 2.6920 2.6920 3.1139 3.1139 3.6768 3.6768 3.9688 3.9688 7.3544 7.3544 8.0787 8.0787 9.5344 9.5344 9.6257 9.6257 k =-0.2846 0.7646 0.6066 ( 4455 PWs) bands (ev): -9.2152 -9.2152 -9.2079 -9.2079 -9.1969 -9.1969 -9.1869 -9.1869 -8.3945 -8.3945 -8.3779 -8.3779 -8.3537 -8.3537 -8.3449 -8.3449 -8.3204 -8.3204 -8.3122 -8.3122 -6.8376 -6.8376 -6.8305 -6.8305 0.5455 0.5455 0.9781 0.9781 1.4345 1.4345 1.6273 1.6273 2.7183 2.7183 3.0744 3.0744 3.6743 3.6743 3.9477 3.9477 7.4173 7.4173 8.0142 8.0142 9.5588 9.5588 9.6461 9.6461 k =-0.2846 0.7646 0.6283 ( 4445 PWs) bands (ev): -9.2153 -9.2153 -9.2082 -9.2082 -9.1968 -9.1968 -9.1870 -9.1870 -8.3948 -8.3948 -8.3782 -8.3782 -8.3532 -8.3532 -8.3458 -8.3458 -8.3202 -8.3202 -8.3122 -8.3122 -6.8345 -6.8345 -6.8290 -6.8290 0.6105 0.6105 0.9542 0.9542 1.4089 1.4089 1.5839 1.5839 2.7481 2.7481 3.0335 3.0335 3.6742 3.6742 3.9304 3.9304 7.4801 7.4801 7.9496 7.9496 9.5767 9.5767 9.6603 9.6603 k =-0.2846 0.7646 0.6499 ( 4443 PWs) bands (ev): -9.2154 -9.2154 -9.2083 -9.2083 -9.1966 -9.1966 -9.1870 -9.1870 -8.3951 -8.3951 -8.3784 -8.3784 -8.3528 -8.3528 -8.3465 -8.3465 -8.3200 -8.3200 -8.3123 -8.3123 -6.8321 -6.8321 -6.8281 -6.8281 0.6720 0.6720 0.9235 0.9235 1.3882 1.3882 1.5537 1.5537 2.7794 2.7794 2.9937 2.9937 3.6753 3.6753 3.9176 3.9176 7.5402 7.5402 7.8879 7.8879 9.5889 9.5889 9.6697 9.6697 k =-0.2846 0.7646 0.6716 ( 4439 PWs) bands (ev): -9.2155 -9.2155 -9.2084 -9.2084 -9.1966 -9.1966 -9.1871 -9.1871 -8.3952 -8.3952 -8.3785 -8.3785 -8.3524 -8.3524 -8.3471 -8.3471 -8.3198 -8.3198 -8.3123 -8.3123 -6.8304 -6.8304 -6.8277 -6.8277 0.7243 0.7243 0.8900 0.8900 1.3745 1.3745 1.5363 1.5363 2.8074 2.8074 2.9604 2.9604 3.6765 3.6765 3.9096 3.9096 7.5908 7.5908 7.8363 7.8363 9.5960 9.5960 9.6750 9.6750 k =-0.2846 0.7646 0.6933 ( 4436 PWs) bands (ev): -9.2155 -9.2155 -9.2085 -9.2085 -9.1966 -9.1966 -9.1871 -9.1871 -8.3953 -8.3953 -8.3786 -8.3786 -8.3523 -8.3523 -8.3472 -8.3472 -8.3198 -8.3198 -8.3124 -8.3124 -6.8298 -6.8298 -6.8277 -6.8277 0.7492 0.7492 0.8715 0.8715 1.3698 1.3698 1.5306 1.5306 2.8204 2.8204 2.9457 2.9457 3.6770 3.6770 3.9069 3.9069 7.6135 7.6135 7.8132 7.8132 9.5983 9.5983 9.6767 9.6767 k =-0.2846 0.7646 0.6933 ( 4436 PWs) bands (ev): -9.2155 -9.2155 -9.2085 -9.2085 -9.1966 -9.1966 -9.1871 -9.1871 -8.3953 -8.3953 -8.3786 -8.3786 -8.3523 -8.3523 -8.3472 -8.3472 -8.3198 -8.3198 -8.3124 -8.3124 -6.8298 -6.8298 -6.8277 -6.8277 0.7492 0.7492 0.8715 0.8715 1.3698 1.3698 1.5306 1.5306 2.8204 2.8204 2.9457 2.9457 3.6770 3.6770 3.9069 3.9069 7.6135 7.6135 7.8132 7.8132 9.5983 9.5983 9.6767 9.6767 k =-0.2921 0.7447 0.6933 ( 4448 PWs) bands (ev): -9.2154 -9.2154 -9.2081 -9.2081 -9.1965 -9.1965 -9.1871 -9.1871 -8.3943 -8.3943 -8.3782 -8.3782 -8.3523 -8.3523 -8.3472 -8.3472 -8.3197 -8.3197 -8.3124 -8.3124 -6.8333 -6.8333 -6.8315 -6.8315 0.7063 0.7063 0.8114 0.8114 1.4071 1.4071 1.5450 1.5450 2.8740 2.8740 3.0095 3.0095 3.7148 3.7148 3.9477 3.9477 7.5596 7.5596 7.7542 7.7542 9.5938 9.5938 9.6718 9.6718 k =-0.2995 0.7247 0.6933 ( 4460 PWs) bands (ev): -9.2152 -9.2152 -9.2077 -9.2077 -9.1964 -9.1964 -9.1871 -9.1871 -8.3932 -8.3932 -8.3777 -8.3777 -8.3524 -8.3524 -8.3471 -8.3471 -8.3196 -8.3196 -8.3125 -8.3125 -6.8375 -6.8375 -6.8360 -6.8360 0.6599 0.6599 0.7505 0.7505 1.4493 1.4493 1.5674 1.5674 2.9291 2.9291 3.0743 3.0743 3.7542 3.7542 3.9903 3.9903 7.5046 7.5046 7.6943 7.6943 9.5893 9.5893 9.6674 9.6674 k =-0.3069 0.7048 0.6933 ( 4452 PWs) bands (ev): -9.2150 -9.2150 -9.2073 -9.2073 -9.1962 -9.1962 -9.1871 -9.1871 -8.3920 -8.3920 -8.3771 -8.3771 -8.3524 -8.3524 -8.3470 -8.3470 -8.3196 -8.3196 -8.3126 -8.3126 -6.8422 -6.8422 -6.8410 -6.8410 0.6112 0.6112 0.6896 0.6896 1.4956 1.4956 1.5967 1.5967 2.9849 2.9849 3.1394 3.1394 3.7956 3.7956 4.0349 4.0349 7.4486 7.4486 7.6335 7.6335 9.5846 9.5846 9.6634 9.6634 k =-0.3143 0.6848 0.6933 ( 4452 PWs) bands (ev): -9.2148 -9.2148 -9.2069 -9.2069 -9.1961 -9.1961 -9.1871 -9.1871 -8.3908 -8.3908 -8.3765 -8.3765 -8.3524 -8.3524 -8.3468 -8.3468 -8.3195 -8.3195 -8.3127 -8.3127 -6.8475 -6.8475 -6.8466 -6.8466 0.5613 0.5613 0.6296 0.6296 1.5456 1.5456 1.6320 1.6320 3.0406 3.0406 3.2039 3.2039 3.8391 3.8391 4.0815 4.0815 7.3918 7.3918 7.5721 7.5721 9.5794 9.5794 9.6597 9.6597 k =-0.3218 0.6649 0.6933 ( 4450 PWs) bands (ev): -9.2145 -9.2145 -9.2065 -9.2065 -9.1959 -9.1959 -9.1870 -9.1870 -8.3895 -8.3895 -8.3757 -8.3757 -8.3524 -8.3524 -8.3467 -8.3467 -8.3195 -8.3195 -8.3129 -8.3129 -6.8534 -6.8534 -6.8527 -6.8527 0.5108 0.5108 0.5708 0.5708 1.5990 1.5990 1.6727 1.6727 3.0955 3.0955 3.2671 3.2671 3.8851 3.8851 4.1304 4.1304 7.3342 7.3342 7.5102 7.5102 9.5735 9.5735 9.6556 9.6556 k =-0.3292 0.6450 0.6933 ( 4446 PWs) bands (ev): -9.2142 -9.2142 -9.2061 -9.2061 -9.1957 -9.1957 -9.1870 -9.1870 -8.3881 -8.3881 -8.3748 -8.3748 -8.3524 -8.3524 -8.3465 -8.3465 -8.3194 -8.3194 -8.3130 -8.3130 -6.8596 -6.8596 -6.8592 -6.8592 0.4606 0.4606 0.5135 0.5135 1.6557 1.6557 1.7182 1.7182 3.1489 3.1489 3.3281 3.3281 3.9341 3.9341 4.1816 4.1816 7.2761 7.2761 7.4480 7.4480 9.5660 9.5660 9.6506 9.6506 k =-0.3366 0.6250 0.6933 ( 4450 PWs) bands (ev): -9.2139 -9.2139 -9.2057 -9.2057 -9.1955 -9.1955 -9.1870 -9.1870 -8.3867 -8.3867 -8.3739 -8.3739 -8.3524 -8.3524 -8.3463 -8.3463 -8.3194 -8.3194 -8.3132 -8.3132 -6.8663 -6.8663 -6.8662 -6.8662 0.4109 0.4109 0.4579 0.4579 1.7155 1.7155 1.7679 1.7679 3.2004 3.2004 3.3862 3.3862 3.9860 3.9860 4.2353 4.2353 7.2176 7.2176 7.3857 7.3857 9.5562 9.5562 9.6436 9.6436 k =-0.3441 0.6051 0.6933 ( 4450 PWs) bands (ev): -9.2135 -9.2135 -9.2053 -9.2053 -9.1952 -9.1952 -9.1869 -9.1869 -8.3853 -8.3853 -8.3729 -8.3729 -8.3523 -8.3523 -8.3460 -8.3460 -8.3194 -8.3194 -8.3134 -8.3134 -6.8734 -6.8734 -6.8733 -6.8733 0.3623 0.3623 0.4042 0.4042 1.7783 1.7783 1.8215 1.8215 3.2494 3.2494 3.4408 3.4408 4.0411 4.0411 4.2913 4.2913 7.1590 7.1590 7.3236 7.3236 9.5430 9.5430 9.6334 9.6334 k =-0.3515 0.5851 0.6933 ( 4450 PWs) bands (ev): -9.2131 -9.2131 -9.2050 -9.2050 -9.1950 -9.1950 -9.1869 -9.1869 -8.3838 -8.3838 -8.3718 -8.3718 -8.3522 -8.3522 -8.3457 -8.3457 -8.3193 -8.3193 -8.3136 -8.3136 -6.8809 -6.8809 -6.8806 -6.8806 0.3151 0.3151 0.3526 0.3526 1.8438 1.8438 1.8785 1.8785 3.2955 3.2955 3.4914 3.4914 4.0991 4.0991 4.3494 4.3494 7.1006 7.1006 7.2621 7.2621 9.5253 9.5253 9.6185 9.6185 k =-0.3589 0.5652 0.6933 ( 4454 PWs) bands (ev): -9.2127 -9.2127 -9.2047 -9.2047 -9.1946 -9.1946 -9.1869 -9.1869 -8.3824 -8.3824 -8.3708 -8.3708 -8.3521 -8.3521 -8.3454 -8.3454 -8.3193 -8.3193 -8.3138 -8.3138 -6.8886 -6.8886 -6.8882 -6.8882 0.2694 0.2694 0.3031 0.3031 1.9120 1.9120 1.9387 1.9387 3.3385 3.3385 3.5379 3.5379 4.1595 4.1595 4.4092 4.4092 7.0430 7.0430 7.2018 7.2018 9.5017 9.5017 9.5975 9.5975 k =-0.3663 0.5452 0.6933 ( 4458 PWs) bands (ev): -9.2123 -9.2123 -9.2044 -9.2044 -9.1943 -9.1943 -9.1868 -9.1868 -8.3809 -8.3809 -8.3697 -8.3697 -8.3519 -8.3519 -8.3450 -8.3450 -8.3193 -8.3193 -8.3141 -8.3141 -6.8965 -6.8965 -6.8958 -6.8958 0.2255 0.2255 0.2559 0.2559 1.9827 1.9827 2.0017 2.0017 3.3781 3.3781 3.5804 3.5804 4.2216 4.2216 4.4701 4.4701 6.9866 6.9866 7.1431 7.1431 9.4714 9.4714 9.5689 9.5689 k =-0.3738 0.5253 0.6933 ( 4450 PWs) bands (ev): -9.2119 -9.2119 -9.2042 -9.2042 -9.1939 -9.1939 -9.1868 -9.1868 -8.3795 -8.3795 -8.3687 -8.3687 -8.3516 -8.3516 -8.3446 -8.3446 -8.3193 -8.3193 -8.3143 -8.3143 -6.9044 -6.9044 -6.9036 -6.9036 0.1835 0.1835 0.2109 0.2109 2.0555 2.0555 2.0671 2.0671 3.4144 3.4144 3.6190 3.6190 4.2843 4.2843 4.5313 4.5313 6.9323 6.9323 7.0868 7.0868 9.4333 9.4333 9.5315 9.5315 k =-0.3812 0.5053 0.6933 ( 4442 PWs) bands (ev): -9.2115 -9.2115 -9.2040 -9.2040 -9.1934 -9.1934 -9.1867 -9.1867 -8.3781 -8.3781 -8.3677 -8.3677 -8.3513 -8.3513 -8.3442 -8.3442 -8.3193 -8.3193 -8.3145 -8.3145 -6.9123 -6.9123 -6.9114 -6.9114 0.1435 0.1435 0.1682 0.1682 2.1303 2.1303 2.1347 2.1347 3.4475 3.4475 3.6541 3.6541 4.3464 4.3464 4.5917 4.5917 6.8808 6.8808 7.0338 7.0338 9.3870 9.3870 9.4847 9.4847 k =-0.3886 0.4854 0.6933 ( 4450 PWs) bands (ev): -9.2110 -9.2110 -9.2039 -9.2039 -9.1930 -9.1930 -9.1867 -9.1867 -8.3768 -8.3768 -8.3668 -8.3668 -8.3508 -8.3508 -8.3438 -8.3438 -8.3193 -8.3193 -8.3148 -8.3148 -6.9201 -6.9201 -6.9191 -6.9191 0.1057 0.1057 0.1280 0.1280 2.2040 2.2040 2.2068 2.2068 3.4774 3.4774 3.6860 3.6860 4.4064 4.4064 4.6501 4.6501 6.8334 6.8334 6.9850 6.9850 9.3326 9.3326 9.4286 9.4286 k =-0.3960 0.4654 0.6933 ( 4438 PWs) bands (ev): -9.2106 -9.2106 -9.2038 -9.2038 -9.1925 -9.1925 -9.1866 -9.1866 -8.3755 -8.3755 -8.3660 -8.3660 -8.3502 -8.3502 -8.3433 -8.3433 -8.3193 -8.3193 -8.3151 -8.3151 -6.9278 -6.9278 -6.9267 -6.9267 0.0701 0.0701 0.0902 0.0902 2.2746 2.2746 2.2844 2.2844 3.5044 3.5044 3.7151 3.7151 4.4629 4.4629 4.7050 4.7050 6.7912 6.7912 6.9416 6.9416 9.2703 9.2703 9.3638 9.3638 k =-0.4035 0.4455 0.6933 ( 4442 PWs) bands (ev): -9.2101 -9.2101 -9.2037 -9.2037 -9.1920 -9.1920 -9.1866 -9.1866 -8.3742 -8.3742 -8.3654 -8.3654 -8.3496 -8.3496 -8.3428 -8.3428 -8.3192 -8.3192 -8.3153 -8.3153 -6.9353 -6.9353 -6.9342 -6.9342 0.0367 0.0367 0.0549 0.0549 2.3461 2.3461 2.3629 2.3629 3.5288 3.5288 3.7418 3.7418 4.5144 4.5144 4.7547 4.7547 6.7556 6.7556 6.9047 6.9047 9.2010 9.2010 9.2916 9.2916 k =-0.4109 0.4255 0.6933 ( 4430 PWs) bands (ev): -9.2097 -9.2097 -9.2037 -9.2037 -9.1915 -9.1915 -9.1865 -9.1865 -8.3731 -8.3731 -8.3648 -8.3648 -8.3488 -8.3488 -8.3423 -8.3423 -8.3192 -8.3192 -8.3156 -8.3156 -6.9425 -6.9425 -6.9414 -6.9414 0.0057 0.0057 0.0220 0.0220 2.4178 2.4178 2.4417 2.4417 3.5510 3.5510 3.7663 3.7663 4.5595 4.5595 4.7977 4.7977 6.7281 6.7281 6.8755 6.8755 9.1257 9.1257 9.2132 9.2132 k =-0.4183 0.4056 0.6933 ( 4424 PWs) bands (ev): -9.2093 -9.2093 -9.2037 -9.2037 -9.1910 -9.1910 -9.1865 -9.1865 -8.3720 -8.3720 -8.3643 -8.3643 -8.3479 -8.3479 -8.3417 -8.3417 -8.3192 -8.3192 -8.3158 -8.3158 -6.9494 -6.9494 -6.9482 -6.9482 -0.0229 -0.0229 -0.0083 -0.0083 2.4894 2.4894 2.5200 2.5200 3.5714 3.5714 3.7888 3.7888 4.5970 4.5970 4.8322 4.8322 6.7102 6.7102 6.8551 6.8551 9.0455 9.0455 9.1300 9.1300 k =-0.4257 0.3856 0.6933 ( 4424 PWs) bands (ev): -9.2089 -9.2089 -9.2037 -9.2037 -9.1906 -9.1906 -9.1864 -9.1864 -8.3709 -8.3709 -8.3640 -8.3640 -8.3470 -8.3470 -8.3412 -8.3412 -8.3191 -8.3191 -8.3161 -8.3161 -6.9559 -6.9559 -6.9547 -6.9547 -0.0491 -0.0491 -0.0361 -0.0361 2.5600 2.5600 2.5972 2.5972 3.5904 3.5904 3.8095 3.8095 4.6262 4.6262 4.8569 4.8569 6.7029 6.7029 6.8441 6.8441 8.9616 8.9616 9.0433 9.0433 k =-0.4332 0.3657 0.6933 ( 4426 PWs) bands (ev): -9.2084 -9.2084 -9.2038 -9.2038 -9.1901 -9.1901 -9.1864 -9.1864 -8.3700 -8.3700 -8.3637 -8.3637 -8.3460 -8.3460 -8.3407 -8.3407 -8.3191 -8.3191 -8.3163 -8.3163 -6.9619 -6.9619 -6.9608 -6.9608 -0.0728 -0.0728 -0.0614 -0.0614 2.6291 2.6291 2.6722 2.6722 3.6086 3.6086 3.8282 3.8282 4.6466 4.6466 4.8710 4.8710 6.7068 6.7068 6.8429 6.8429 8.8755 8.8755 8.9543 8.9543 k =-0.4406 0.3457 0.6933 ( 4434 PWs) bands (ev): -9.2080 -9.2080 -9.2039 -9.2039 -9.1897 -9.1897 -9.1864 -9.1864 -8.3692 -8.3692 -8.3636 -8.3636 -8.3451 -8.3451 -8.3402 -8.3402 -8.3191 -8.3191 -8.3166 -8.3166 -6.9675 -6.9675 -6.9665 -6.9665 -0.0940 -0.0940 -0.0841 -0.0841 2.6958 2.6958 2.7440 2.7440 3.6267 3.6267 3.8448 3.8448 4.6588 4.6588 4.8744 4.8744 6.7218 6.7218 6.8511 6.8511 8.7886 8.7886 8.8643 8.8643 k =-0.4480 0.3258 0.6933 ( 4450 PWs) bands (ev): -9.2077 -9.2077 -9.2040 -9.2040 -9.1892 -9.1892 -9.1864 -9.1864 -8.3684 -8.3684 -8.3635 -8.3635 -8.3441 -8.3441 -8.3398 -8.3398 -8.3190 -8.3190 -8.3168 -8.3168 -6.9725 -6.9725 -6.9716 -6.9716 -0.1128 -0.1128 -0.1042 -0.1042 2.7592 2.7592 2.8111 2.8111 3.6454 3.6454 3.8589 3.8589 4.6638 4.6638 4.8676 4.8676 6.7471 6.7471 6.8676 6.8676 8.7028 8.7028 8.7748 8.7748 k =-0.4554 0.3058 0.6933 ( 4450 PWs) bands (ev): -9.2073 -9.2073 -9.2042 -9.2042 -9.1888 -9.1888 -9.1864 -9.1864 -8.3677 -8.3677 -8.3635 -8.3635 -8.3432 -8.3432 -8.3395 -8.3395 -8.3189 -8.3189 -8.3171 -8.3171 -6.9769 -6.9769 -6.9761 -6.9761 -0.1290 -0.1290 -0.1217 -0.1217 2.8185 2.8185 2.8721 2.8721 3.6653 3.6653 3.8697 3.8697 4.6635 4.6635 4.8518 4.8518 6.7808 6.7808 6.8908 6.8908 8.6202 8.6202 8.6875 8.6875 k =-0.4629 0.2859 0.6933 ( 4450 PWs) bands (ev): -9.2069 -9.2069 -9.2043 -9.2043 -9.1885 -9.1885 -9.1865 -9.1865 -8.3670 -8.3670 -8.3636 -8.3636 -8.3423 -8.3423 -8.3392 -8.3392 -8.3188 -8.3188 -8.3173 -8.3173 -6.9807 -6.9807 -6.9800 -6.9800 -0.1426 -0.1426 -0.1366 -0.1366 2.8726 2.8726 2.9252 2.9252 3.6871 3.6871 3.8764 3.8764 4.6602 4.6602 4.8290 4.8290 6.8206 6.8206 6.9179 6.9179 8.5433 8.5433 8.6045 8.6045 k =-0.4703 0.2659 0.6933 ( 4446 PWs) bands (ev): -9.2066 -9.2066 -9.2045 -9.2045 -9.1881 -9.1881 -9.1866 -9.1866 -8.3664 -8.3664 -8.3637 -8.3637 -8.3415 -8.3415 -8.3390 -8.3390 -8.3188 -8.3188 -8.3175 -8.3175 -6.9838 -6.9838 -6.9832 -6.9832 -0.1537 -0.1537 -0.1489 -0.1489 2.9206 2.9206 2.9690 2.9690 3.7114 3.7114 3.8780 3.8780 4.6569 4.6569 4.8012 4.8012 6.8633 6.8633 6.9457 6.9457 8.4750 8.4750 8.5284 8.5284 k =-0.4777 0.2460 0.6933 ( 4450 PWs) bands (ev): -9.2063 -9.2063 -9.2047 -9.2047 -9.1878 -9.1878 -9.1866 -9.1866 -8.3659 -8.3659 -8.3639 -8.3639 -8.3408 -8.3408 -8.3389 -8.3389 -8.3186 -8.3186 -8.3177 -8.3177 -6.9863 -6.9863 -6.9858 -6.9858 -0.1622 -0.1622 -0.1586 -0.1586 2.9614 2.9614 3.0019 3.0019 3.7379 3.7379 3.8734 3.8734 4.6563 4.6563 4.7710 4.7710 6.9054 6.9054 6.9705 6.9705 8.4186 8.4186 8.4619 8.4619 k =-0.4851 0.2260 0.6933 ( 4452 PWs) bands (ev): -9.2060 -9.2060 -9.2049 -9.2049 -9.1875 -9.1875 -9.1868 -9.1868 -8.3655 -8.3655 -8.3641 -8.3641 -8.3402 -8.3402 -8.3389 -8.3389 -8.3185 -8.3185 -8.3179 -8.3179 -6.9880 -6.9880 -6.9877 -6.9877 -0.1681 -0.1681 -0.1657 -0.1657 2.9940 2.9940 3.0233 3.0233 3.7662 3.7662 3.8622 3.8622 4.6607 4.6607 4.7407 4.7407 6.9430 6.9430 6.9883 6.9883 8.3776 8.3776 8.4083 8.4083 k =-0.4926 0.2061 0.6933 ( 4456 PWs) bands (ev): -9.2057 -9.2057 -9.2052 -9.2052 -9.1873 -9.1873 -9.1869 -9.1869 -8.3651 -8.3651 -8.3644 -8.3644 -8.3397 -8.3397 -8.3391 -8.3391 -8.3184 -8.3184 -8.3181 -8.3181 -6.9890 -6.9890 -6.9889 -6.9889 -0.1714 -0.1714 -0.1702 -0.1702 3.0174 3.0174 3.0328 3.0328 3.7946 3.7946 3.8445 3.8445 4.6716 4.6716 4.7127 4.7127 6.9724 6.9724 6.9957 6.9957 8.3549 8.3549 8.3710 8.3710 k =-0.5000 0.1861 0.6933 ( 4460 PWs) bands (ev): -9.2054 -9.2054 -9.2054 -9.2054 -9.1871 -9.1871 -9.1871 -9.1871 -8.3647 -8.3647 -8.3647 -8.3647 -8.3393 -8.3393 -8.3393 -8.3393 -8.3182 -8.3182 -8.3182 -8.3182 -6.9893 -6.9893 -6.9893 -6.9893 -0.1721 -0.1721 -0.1721 -0.1721 3.0306 3.0306 3.0306 3.0306 3.8214 3.8214 3.8214 3.8214 4.6891 4.6891 4.6891 4.6891 6.9905 6.9905 6.9905 6.9905 8.3527 8.3527 8.3527 8.3527 k =-0.5000 0.1861 0.6933 ( 4460 PWs) bands (ev): -9.2054 -9.2054 -9.2054 -9.2054 -9.1871 -9.1871 -9.1871 -9.1871 -8.3647 -8.3647 -8.3647 -8.3647 -8.3393 -8.3393 -8.3393 -8.3393 -8.3182 -8.3182 -8.3182 -8.3182 -6.9893 -6.9893 -6.9893 -6.9893 -0.1721 -0.1721 -0.1721 -0.1721 3.0306 3.0306 3.0306 3.0306 3.8214 3.8214 3.8214 3.8214 4.6891 4.6891 4.6891 4.6891 6.9905 6.9905 6.9905 6.9905 8.3527 8.3527 8.3527 8.3527 k =-0.5000 0.1861 0.6716 ( 4458 PWs) bands (ev): -9.2056 -9.2056 -9.2052 -9.2052 -9.1875 -9.1875 -9.1867 -9.1867 -8.3654 -8.3654 -8.3640 -8.3640 -8.3399 -8.3399 -8.3388 -8.3388 -8.3188 -8.3188 -8.3177 -8.3177 -6.9970 -6.9970 -6.9820 -6.9820 -0.1952 -0.1952 -0.1456 -0.1456 3.0019 3.0019 3.0574 3.0574 3.7996 3.7996 3.8386 3.8386 4.6486 4.6486 4.7353 4.7353 6.9190 6.9190 7.0577 7.0577 8.3367 8.3367 8.3738 8.3738 k =-0.5000 0.1861 0.6499 ( 4462 PWs) bands (ev): -9.2059 -9.2059 -9.2050 -9.2050 -9.1879 -9.1879 -9.1864 -9.1864 -8.3662 -8.3662 -8.3633 -8.3633 -8.3404 -8.3404 -8.3382 -8.3382 -8.3194 -8.3194 -8.3171 -8.3171 -7.0051 -7.0051 -6.9751 -6.9751 -0.2149 -0.2149 -0.1156 -0.1156 2.9715 2.9715 3.0820 3.0820 3.7733 3.7733 3.8510 3.8510 4.6140 4.6140 4.7863 4.7863 6.8446 6.8446 7.1193 7.1193 8.3263 8.3263 8.3996 8.3996 k =-0.5000 0.1861 0.6283 ( 4464 PWs) bands (ev): -9.2061 -9.2061 -9.2048 -9.2048 -9.1883 -9.1883 -9.1861 -9.1861 -8.3670 -8.3670 -8.3626 -8.3626 -8.3410 -8.3410 -8.3377 -8.3377 -8.3200 -8.3200 -8.3166 -8.3166 -7.0135 -7.0135 -6.9686 -6.9686 -0.2312 -0.2312 -0.0821 -0.0821 2.9396 2.9396 3.1043 3.1043 3.7430 3.7430 3.8588 3.8588 4.5855 4.5855 4.8413 4.8413 6.7688 6.7688 7.1740 7.1740 8.3220 8.3220 8.4296 8.4296 k =-0.5000 0.1861 0.6066 ( 4466 PWs) bands (ev): -9.2063 -9.2063 -9.2046 -9.2046 -9.1887 -9.1887 -9.1857 -9.1857 -8.3678 -8.3678 -8.3620 -8.3620 -8.3415 -8.3415 -8.3371 -8.3371 -8.3206 -8.3206 -8.3161 -8.3161 -7.0222 -7.0222 -6.9625 -6.9625 -0.2442 -0.2442 -0.0451 -0.0451 2.9064 2.9064 3.1242 3.1242 3.7092 3.7092 3.8623 3.8623 4.5629 4.5629 4.8989 4.8989 6.6930 6.6930 7.2208 7.2208 8.3240 8.3240 8.4632 8.4632 k =-0.5000 0.1861 0.5849 ( 4466 PWs) bands (ev): -9.2065 -9.2065 -9.2043 -9.2043 -9.1891 -9.1891 -9.1855 -9.1855 -8.3687 -8.3687 -8.3615 -8.3615 -8.3420 -8.3420 -8.3366 -8.3366 -8.3212 -8.3212 -8.3155 -8.3155 -7.0311 -7.0311 -6.9569 -6.9569 -0.2541 -0.2541 -0.0046 -0.0046 2.8721 2.8721 3.1414 3.1414 3.6726 3.6726 3.8620 3.8620 4.5457 4.5457 4.9575 4.9575 6.6190 6.6190 7.2586 7.2586 8.3324 8.3324 8.5003 8.5003 k =-0.5000 0.1861 0.5633 ( 4466 PWs) bands (ev): -9.2068 -9.2068 -9.2041 -9.2041 -9.1895 -9.1895 -9.1852 -9.1852 -8.3695 -8.3695 -8.3609 -8.3609 -8.3425 -8.3425 -8.3361 -8.3361 -8.3218 -8.3218 -8.3150 -8.3150 -7.0403 -7.0403 -6.9517 -6.9517 -0.2608 -0.2608 0.0392 0.0392 2.8370 2.8370 3.1558 3.1558 3.6339 3.6339 3.8584 3.8584 4.5332 4.5332 5.0154 5.0154 6.5489 6.5489 7.2869 7.2869 8.3472 8.3472 8.5406 8.5406 k =-0.5000 0.1861 0.5416 ( 4468 PWs) bands (ev): -9.2070 -9.2070 -9.2039 -9.2039 -9.1899 -9.1899 -9.1850 -9.1850 -8.3703 -8.3703 -8.3605 -8.3605 -8.3430 -8.3430 -8.3356 -8.3356 -8.3223 -8.3223 -8.3145 -8.3145 -7.0496 -7.0496 -6.9470 -6.9470 -0.2645 -0.2645 0.0864 0.0864 2.8013 2.8013 3.1672 3.1672 3.5939 3.5939 3.8521 3.8521 4.5247 4.5247 5.0699 5.0699 6.4851 6.4851 7.3057 7.3057 8.3686 8.3686 8.5842 8.5842 k =-0.5000 0.1861 0.5199 ( 4474 PWs) bands (ev): -9.2073 -9.2073 -9.2037 -9.2037 -9.1903 -9.1903 -9.1848 -9.1848 -8.3712 -8.3712 -8.3601 -8.3601 -8.3435 -8.3435 -8.3351 -8.3351 -8.3229 -8.3229 -8.3140 -8.3140 -7.0591 -7.0591 -6.9427 -6.9427 -0.2654 -0.2654 0.1369 0.1369 2.7651 2.7651 3.1754 3.1754 3.5534 3.5534 3.8437 3.8437 4.5193 4.5193 5.1182 5.1182 6.4307 6.4307 7.3152 7.3152 8.3962 8.3962 8.6310 8.6310 k =-0.5000 0.1861 0.4983 ( 4466 PWs) bands (ev): -9.2075 -9.2075 -9.2035 -9.2035 -9.1907 -9.1907 -9.1846 -9.1846 -8.3720 -8.3720 -8.3597 -8.3597 -8.3440 -8.3440 -8.3346 -8.3346 -8.3235 -8.3235 -8.3135 -8.3135 -7.0686 -7.0686 -6.9388 -6.9388 -0.2636 -0.2636 0.1906 0.1906 2.7287 2.7287 3.1803 3.1803 3.5129 3.5129 3.8336 3.8336 4.5165 4.5165 5.1566 5.1566 6.3892 6.3892 7.3163 7.3163 8.4301 8.4301 8.6812 8.6812 k =-0.5000 0.1861 0.4766 ( 4458 PWs) bands (ev): -9.2078 -9.2078 -9.2033 -9.2033 -9.1911 -9.1911 -9.1845 -9.1845 -8.3728 -8.3728 -8.3594 -8.3594 -8.3444 -8.3444 -8.3342 -8.3342 -8.3240 -8.3240 -8.3130 -8.3130 -7.0782 -7.0782 -6.9354 -6.9354 -0.2593 -0.2593 0.2474 0.2474 2.6924 2.6924 3.1817 3.1817 3.4732 3.4732 3.8225 3.8225 4.5154 4.5154 5.1815 5.1815 6.3644 6.3644 7.3098 7.3098 8.4700 8.4700 8.7344 8.7344 k =-0.5000 0.1861 0.4549 ( 4464 PWs) bands (ev): -9.2080 -9.2080 -9.2030 -9.2030 -9.1915 -9.1915 -9.1844 -9.1844 -8.3737 -8.3737 -8.3592 -8.3592 -8.3449 -8.3449 -8.3338 -8.3338 -8.3245 -8.3245 -8.3125 -8.3125 -7.0879 -7.0879 -6.9323 -6.9323 -0.2526 -0.2526 0.3072 0.3072 2.6564 2.6564 3.1793 3.1793 3.4349 3.4349 3.8106 3.8106 4.5156 4.5156 5.1898 5.1898 6.3594 6.3594 7.2969 7.2969 8.5159 8.5159 8.7903 8.7903 k =-0.5000 0.1861 0.4333 ( 4464 PWs) bands (ev): -9.2083 -9.2083 -9.2028 -9.2028 -9.1919 -9.1919 -9.1843 -9.1843 -8.3745 -8.3745 -8.3590 -8.3590 -8.3453 -8.3453 -8.3334 -8.3334 -8.3250 -8.3250 -8.3120 -8.3120 -7.0974 -7.0974 -6.9297 -6.9297 -0.2437 -0.2437 0.3698 0.3698 2.6207 2.6207 3.1731 3.1731 3.3983 3.3983 3.7984 3.7984 4.5166 4.5166 5.1800 5.1800 6.3758 6.3758 7.2789 7.2789 8.5675 8.5675 8.8484 8.8484 k =-0.5000 0.1861 0.4116 ( 4454 PWs) bands (ev): -9.2086 -9.2086 -9.2026 -9.2026 -9.1923 -9.1923 -9.1842 -9.1842 -8.3753 -8.3753 -8.3588 -8.3588 -8.3457 -8.3457 -8.3331 -8.3331 -8.3254 -8.3254 -8.3115 -8.3115 -7.1069 -7.1069 -6.9274 -6.9274 -0.2329 -0.2329 0.4352 0.4352 2.5858 2.5858 3.1630 3.1630 3.3640 3.3640 3.7860 3.7860 4.5179 4.5179 5.1527 5.1527 6.4132 6.4132 7.2568 7.2568 8.6248 8.6248 8.9081 8.9081 k =-0.5000 0.1861 0.3900 ( 4454 PWs) bands (ev): -9.2088 -9.2088 -9.2024 -9.2024 -9.1926 -9.1926 -9.1842 -9.1842 -8.3761 -8.3761 -8.3587 -8.3587 -8.3461 -8.3461 -8.3328 -8.3328 -8.3258 -8.3258 -8.3110 -8.3110 -7.1162 -7.1162 -6.9254 -6.9254 -0.2204 -0.2204 0.5030 0.5030 2.5517 2.5517 3.1491 3.1491 3.3319 3.3319 3.7738 3.7738 4.5192 4.5192 5.1103 5.1103 6.4690 6.4690 7.2319 7.2319 8.6874 8.6874 8.9686 8.9686 k =-0.5000 0.1861 0.3683 ( 4458 PWs) bands (ev): -9.2091 -9.2091 -9.2022 -9.2022 -9.1929 -9.1929 -9.1842 -9.1842 -8.3768 -8.3768 -8.3586 -8.3586 -8.3465 -8.3465 -8.3326 -8.3326 -8.3261 -8.3261 -8.3105 -8.3105 -7.1253 -7.1253 -6.9238 -6.9238 -0.2063 -0.2063 0.5731 0.5731 2.5187 2.5187 3.1317 3.1317 3.3020 3.3020 3.7619 3.7619 4.5201 4.5201 5.0563 5.0563 6.5400 6.5400 7.2052 7.2052 8.7551 8.7551 9.0293 9.0293 k =-0.5000 0.1861 0.3466 ( 4456 PWs) bands (ev): -9.2094 -9.2094 -9.2020 -9.2020 -9.1932 -9.1932 -9.1842 -9.1842 -8.3775 -8.3775 -8.3586 -8.3586 -8.3470 -8.3470 -8.3324 -8.3324 -8.3263 -8.3263 -8.3100 -8.3100 -7.1341 -7.1341 -6.9224 -6.9224 -0.1911 -0.1911 0.6453 0.6453 2.4869 2.4869 3.1116 3.1116 3.2736 3.2736 3.7505 3.7505 4.5204 4.5204 4.9941 4.9941 6.6226 6.6226 7.1780 7.1780 8.8276 8.8276 9.0894 9.0894 k =-0.5000 0.1861 0.3250 ( 4456 PWs) bands (ev): -9.2096 -9.2096 -9.2017 -9.2017 -9.1935 -9.1935 -9.1842 -9.1842 -8.3782 -8.3782 -8.3586 -8.3586 -8.3474 -8.3474 -8.3323 -8.3323 -8.3266 -8.3266 -8.3096 -8.3096 -7.1427 -7.1427 -6.9213 -6.9213 -0.1748 -0.1748 0.7192 0.7192 2.4566 2.4566 3.0895 3.0895 3.2460 3.2460 3.7397 3.7397 4.5194 4.5194 4.9269 4.9269 6.7131 6.7131 7.1521 7.1521 8.9043 8.9043 9.1483 9.1483 k =-0.5000 0.1861 0.3033 ( 4452 PWs) bands (ev): -9.2099 -9.2099 -9.2015 -9.2015 -9.1937 -9.1937 -9.1843 -9.1843 -8.3789 -8.3789 -8.3586 -8.3586 -8.3478 -8.3478 -8.3322 -8.3322 -8.3267 -8.3267 -8.3091 -8.3091 -7.1509 -7.1509 -6.9204 -6.9204 -0.1578 -0.1578 0.7946 0.7946 2.4280 2.4280 3.0664 3.0664 3.2184 3.2184 3.7295 3.7295 4.5166 4.5166 4.8578 4.8578 6.8064 6.8064 7.1311 7.1311 8.9849 8.9849 9.2052 9.2052 k =-0.5000 0.1861 0.2816 ( 4452 PWs) bands (ev): -9.2102 -9.2102 -9.2013 -9.2013 -9.1940 -9.1940 -9.1844 -9.1844 -8.3795 -8.3795 -8.3587 -8.3587 -8.3482 -8.3482 -8.3322 -8.3322 -8.3268 -8.3268 -8.3086 -8.3086 -7.1588 -7.1588 -6.9198 -6.9198 -0.1404 -0.1404 0.8710 0.8710 2.4013 2.4013 3.0431 3.0431 3.1901 3.1901 3.7201 3.7201 4.5106 4.5106 4.7901 4.7901 6.8921 6.8921 7.1241 7.1241 9.0685 9.0685 9.2596 9.2596 k =-0.5000 0.1861 0.2600 ( 4454 PWs) bands (ev): -9.2104 -9.2104 -9.2011 -9.2011 -9.1942 -9.1942 -9.1844 -9.1844 -8.3801 -8.3801 -8.3587 -8.3587 -8.3486 -8.3486 -8.3322 -8.3322 -8.3269 -8.3269 -8.3082 -8.3082 -7.1663 -7.1663 -6.9193 -6.9193 -0.1227 -0.1227 0.9481 0.9481 2.3767 2.3767 3.0202 3.0202 3.1603 3.1603 3.7115 3.7115 4.4993 4.4993 4.7274 4.7274 6.9461 6.9461 7.1544 7.1544 9.1544 9.1544 9.3109 9.3109 k =-0.5000 0.1861 0.2383 ( 4452 PWs) bands (ev): -9.2107 -9.2107 -9.2009 -9.2009 -9.1944 -9.1944 -9.1845 -9.1845 -8.3806 -8.3806 -8.3588 -8.3588 -8.3490 -8.3490 -8.3322 -8.3322 -8.3269 -8.3269 -8.3078 -8.3078 -7.1733 -7.1733 -6.9189 -6.9189 -0.1052 -0.1052 1.0252 1.0252 2.3544 2.3544 2.9982 2.9982 3.1286 3.1286 3.7037 3.7037 4.4790 4.4790 4.6748 4.6748 6.9557 6.9557 7.2340 7.2340 9.2415 9.2415 9.3585 9.3585 k =-0.5000 0.1861 0.2166 ( 4448 PWs) bands (ev): -9.2109 -9.2109 -9.2008 -9.2008 -9.1946 -9.1946 -9.1846 -9.1846 -8.3812 -8.3812 -8.3589 -8.3589 -8.3494 -8.3494 -8.3323 -8.3323 -8.3269 -8.3269 -8.3074 -8.3074 -7.1798 -7.1798 -6.9187 -6.9187 -0.0881 -0.0881 1.1018 1.1018 2.3348 2.3348 2.9774 2.9774 3.0948 3.0948 3.6967 3.6967 4.4467 4.4467 4.6368 4.6368 6.9429 6.9429 7.3403 7.3403 9.3278 9.3278 9.4021 9.4021 k =-0.5000 0.1861 0.1950 ( 4444 PWs) bands (ev): -9.2111 -9.2111 -9.2006 -9.2006 -9.1947 -9.1947 -9.1848 -9.1848 -8.3816 -8.3816 -8.3590 -8.3590 -8.3498 -8.3498 -8.3323 -8.3323 -8.3269 -8.3269 -8.3070 -8.3070 -7.1858 -7.1858 -6.9186 -6.9186 -0.0715 -0.0715 1.1770 1.1770 2.3182 2.3182 2.9580 2.9580 3.0587 3.0587 3.6906 3.6906 4.4035 4.4035 4.6132 4.6132 6.9233 6.9233 7.4572 7.4572 9.4076 9.4076 9.4443 9.4443 k =-0.5000 0.1861 0.1733 ( 4444 PWs) bands (ev): -9.2113 -9.2113 -9.2004 -9.2004 -9.1949 -9.1949 -9.1849 -9.1849 -8.3820 -8.3820 -8.3590 -8.3590 -8.3501 -8.3501 -8.3324 -8.3324 -8.3269 -8.3269 -8.3067 -8.3067 -7.1912 -7.1912 -6.9186 -6.9186 -0.0559 -0.0559 1.2500 1.2500 2.3047 2.3047 2.9403 2.9403 3.0204 3.0204 3.6854 3.6854 4.3549 4.3549 4.5995 4.5995 6.9022 6.9022 7.5789 7.5789 9.4569 9.4569 9.5018 9.5018 k =-0.5000 0.1861 0.1516 ( 4432 PWs) bands (ev): -9.2115 -9.2115 -9.2003 -9.2003 -9.1950 -9.1950 -9.1850 -9.1850 -8.3824 -8.3824 -8.3591 -8.3591 -8.3504 -8.3504 -8.3324 -8.3324 -8.3268 -8.3268 -8.3064 -8.3064 -7.1961 -7.1961 -6.9186 -6.9186 -0.0415 -0.0415 1.3196 1.3196 2.2949 2.2949 2.9243 2.9243 2.9804 2.9804 3.6811 3.6811 4.3062 4.3062 4.5914 4.5914 6.8817 6.8817 7.7025 7.7025 9.4751 9.4751 9.5534 9.5534 k =-0.5000 0.1861 0.1300 ( 4432 PWs) bands (ev): -9.2117 -9.2117 -9.2001 -9.2001 -9.1951 -9.1951 -9.1851 -9.1851 -8.3827 -8.3827 -8.3592 -8.3592 -8.3507 -8.3507 -8.3325 -8.3325 -8.3268 -8.3268 -8.3061 -8.3061 -7.2003 -7.2003 -6.9187 -6.9187 -0.0285 -0.0285 1.3845 1.3845 2.2888 2.2888 2.9093 2.9093 2.9400 2.9400 3.6775 3.6775 4.2605 4.2605 4.5865 4.5865 6.8628 6.8628 7.8261 7.8261 9.4602 9.4602 9.5563 9.5563 k =-0.5000 0.1861 0.1083 ( 4434 PWs) bands (ev): -9.2118 -9.2118 -9.2000 -9.2000 -9.1952 -9.1952 -9.1852 -9.1852 -8.3830 -8.3830 -8.3592 -8.3592 -8.3510 -8.3510 -8.3325 -8.3325 -8.3267 -8.3267 -8.3059 -8.3059 -7.2040 -7.2040 -6.9188 -6.9188 -0.0170 -0.0170 1.4433 1.4433 2.2867 2.2867 2.8888 2.8888 2.9069 2.9069 3.6747 3.6747 4.2199 4.2199 4.5833 4.5833 6.8461 6.8461 7.9478 7.9478 9.4001 9.4001 9.5417 9.5417 k =-0.5000 0.1861 0.0867 ( 4438 PWs) bands (ev): -9.2119 -9.2119 -9.1999 -9.1999 -9.1953 -9.1953 -9.1852 -9.1852 -8.3833 -8.3833 -8.3593 -8.3593 -8.3512 -8.3512 -8.3326 -8.3326 -8.3267 -8.3267 -8.3057 -8.3057 -7.2070 -7.2070 -6.9189 -6.9189 -0.0074 -0.0074 1.4943 1.4943 2.2882 2.2882 2.8530 2.8530 2.8927 2.8927 3.6725 3.6725 4.1856 4.1856 4.5812 4.5812 6.8320 6.8320 8.0650 8.0650 9.3165 9.3165 9.5275 9.5275 k =-0.5000 0.1861 0.0650 ( 4442 PWs) bands (ev): -9.2120 -9.2120 -9.1998 -9.1998 -9.1953 -9.1953 -9.1853 -9.1853 -8.3834 -8.3834 -8.3593 -8.3593 -8.3514 -8.3514 -8.3326 -8.3326 -8.3267 -8.3267 -8.3055 -8.3055 -7.2093 -7.2093 -6.9189 -6.9189 0.0003 0.0003 1.5359 1.5359 2.2926 2.2926 2.8172 2.8172 2.8844 2.8844 3.6710 3.6710 4.1582 4.1582 4.5798 4.5798 6.8208 6.8208 8.1736 8.1736 9.2286 9.2286 9.5138 9.5138 k =-0.5000 0.1861 0.0433 ( 4446 PWs) bands (ev): -9.2121 -9.2121 -9.1998 -9.1998 -9.1954 -9.1954 -9.1853 -9.1853 -8.3836 -8.3836 -8.3594 -8.3594 -8.3515 -8.3515 -8.3326 -8.3326 -8.3266 -8.3266 -8.3054 -8.3054 -7.2110 -7.2110 -6.9190 -6.9190 0.0058 0.0058 1.5667 1.5667 2.2984 2.2984 2.7877 2.7877 2.8787 2.8787 3.6700 3.6700 4.1384 4.1384 4.5789 4.5789 6.8126 6.8126 8.2668 8.2668 9.1486 9.1486 9.5026 9.5026 k =-0.5000 0.1861 0.0217 ( 4448 PWs) bands (ev): -9.2121 -9.2121 -9.1998 -9.1998 -9.1954 -9.1954 -9.1854 -9.1854 -8.3836 -8.3836 -8.3594 -8.3594 -8.3516 -8.3516 -8.3327 -8.3327 -8.3266 -8.3266 -8.3054 -8.3054 -7.2120 -7.2120 -6.9191 -6.9191 0.0092 0.0092 1.5856 1.5856 2.3034 2.3034 2.7680 2.7680 2.8753 2.8753 3.6694 3.6694 4.1265 4.1265 4.5785 4.5785 6.8076 6.8076 8.3332 8.3332 9.0896 9.0896 9.4955 9.4955 k =-0.5000 0.1861 0.0000 ( 4450 PWs) bands (ev): -9.2121 -9.2121 -9.1997 -9.1997 -9.1954 -9.1954 -9.1854 -9.1854 -8.3837 -8.3837 -8.3594 -8.3594 -8.3516 -8.3516 -8.3327 -8.3327 -8.3266 -8.3266 -8.3053 -8.3053 -7.2124 -7.2124 -6.9191 -6.9191 0.0103 0.0103 1.5920 1.5920 2.3053 2.3053 2.7610 2.7610 2.8742 2.8742 3.6693 3.6693 4.1224 4.1224 4.5783 4.5783 6.8060 6.8060 8.3580 8.3580 9.0673 9.0673 9.4930 9.4930 k = 0.0000 0.0000 0.6933 ( 4414 PWs) bands (ev): -9.2034 -9.2034 -9.2034 -9.2034 -9.1914 -9.1914 -9.1914 -9.1914 -8.3665 -8.3665 -8.3665 -8.3665 -8.3373 -8.3373 -8.3373 -8.3373 -8.3269 -8.3269 -8.3269 -8.3269 -6.9870 -6.9870 -6.9870 -6.9870 0.3463 0.3463 0.3463 0.3463 2.2715 2.2715 2.2715 2.2715 3.3953 3.3953 3.3953 3.3953 4.7698 4.7698 4.7698 4.7698 7.1394 7.1394 7.1394 7.1394 7.8961 7.8961 7.8961 7.8961 k =-0.0200 0.0074 0.6933 ( 4424 PWs) bands (ev): -9.2035 -9.2035 -9.2035 -9.2035 -9.1914 -9.1914 -9.1914 -9.1914 -8.3665 -8.3665 -8.3665 -8.3665 -8.3373 -8.3373 -8.3373 -8.3373 -8.3269 -8.3269 -8.3269 -8.3269 -6.9870 -6.9870 -6.9870 -6.9870 0.3434 0.3434 0.3434 0.3434 2.2762 2.2762 2.2762 2.2762 3.3956 3.3956 3.3956 3.3956 4.7692 4.7692 4.7692 4.7692 7.1404 7.1404 7.1404 7.1404 7.8978 7.8978 7.8978 7.8978 k =-0.0400 0.0149 0.6933 ( 4432 PWs) bands (ev): -9.2035 -9.2035 -9.2035 -9.2035 -9.1914 -9.1914 -9.1914 -9.1914 -8.3664 -8.3664 -8.3664 -8.3664 -8.3374 -8.3374 -8.3374 -8.3374 -8.3268 -8.3268 -8.3268 -8.3268 -6.9871 -6.9871 -6.9871 -6.9871 0.3347 0.3347 0.3347 0.3347 2.2902 2.2902 2.2902 2.2902 3.3963 3.3963 3.3963 3.3963 4.7675 4.7675 4.7675 4.7675 7.1436 7.1436 7.1436 7.1436 7.9027 7.9027 7.9027 7.9027 k =-0.0600 0.0223 0.6933 ( 4436 PWs) bands (ev): -9.2035 -9.2035 -9.2035 -9.2035 -9.1913 -9.1913 -9.1913 -9.1913 -8.3664 -8.3664 -8.3664 -8.3664 -8.3374 -8.3374 -8.3374 -8.3374 -8.3266 -8.3266 -8.3266 -8.3266 -6.9871 -6.9871 -6.9871 -6.9871 0.3207 0.3207 0.3207 0.3207 2.3131 2.3131 2.3131 2.3131 3.3976 3.3976 3.3976 3.3976 4.7648 4.7648 4.7648 4.7648 7.1486 7.1486 7.1486 7.1486 7.9108 7.9108 7.9108 7.9108 k =-0.0800 0.0298 0.6933 ( 4430 PWs) bands (ev): -9.2036 -9.2036 -9.2036 -9.2036 -9.1911 -9.1911 -9.1911 -9.1911 -8.3663 -8.3663 -8.3663 -8.3663 -8.3375 -8.3375 -8.3375 -8.3375 -8.3263 -8.3263 -8.3263 -8.3263 -6.9872 -6.9872 -6.9872 -6.9872 0.3018 0.3018 0.3018 0.3018 2.3441 2.3441 2.3441 2.3441 3.3996 3.3996 3.3996 3.3996 4.7610 4.7610 4.7610 4.7610 7.1552 7.1552 7.1552 7.1552 7.9221 7.9221 7.9221 7.9221 k =-0.1000 0.0372 0.6933 ( 4426 PWs) bands (ev): -9.2037 -9.2037 -9.2037 -9.2037 -9.1910 -9.1910 -9.1910 -9.1910 -8.3663 -8.3663 -8.3663 -8.3663 -8.3376 -8.3376 -8.3376 -8.3376 -8.3260 -8.3260 -8.3260 -8.3260 -6.9872 -6.9872 -6.9872 -6.9872 0.2788 0.2788 0.2788 0.2788 2.3823 2.3823 2.3823 2.3823 3.4024 3.4024 3.4024 3.4024 4.7563 4.7563 4.7563 4.7563 7.1632 7.1632 7.1632 7.1632 7.9363 7.9363 7.9363 7.9363 k =-0.1200 0.0447 0.6933 ( 4430 PWs) bands (ev): -9.2038 -9.2038 -9.2038 -9.2038 -9.1908 -9.1908 -9.1908 -9.1908 -8.3662 -8.3662 -8.3662 -8.3662 -8.3378 -8.3378 -8.3378 -8.3378 -8.3256 -8.3256 -8.3256 -8.3256 -6.9873 -6.9873 -6.9873 -6.9873 0.2524 0.2524 0.2524 0.2524 2.4266 2.4266 2.4266 2.4266 3.4063 3.4063 3.4063 3.4063 4.7509 4.7509 4.7509 4.7509 7.1719 7.1719 7.1719 7.1719 7.9533 7.9533 7.9533 7.9533 k =-0.1400 0.0521 0.6933 ( 4432 PWs) bands (ev): -9.2039 -9.2039 -9.2039 -9.2039 -9.1906 -9.1906 -9.1906 -9.1906 -8.3661 -8.3661 -8.3661 -8.3661 -8.3379 -8.3379 -8.3379 -8.3379 -8.3252 -8.3252 -8.3252 -8.3252 -6.9874 -6.9874 -6.9874 -6.9874 0.2233 0.2233 0.2233 0.2233 2.4759 2.4759 2.4759 2.4759 3.4116 3.4116 3.4116 3.4116 4.7449 4.7449 4.7449 4.7449 7.1810 7.1810 7.1810 7.1810 7.9729 7.9729 7.9729 7.9729 k =-0.1600 0.0596 0.6933 ( 4434 PWs) bands (ev): -9.2040 -9.2040 -9.2040 -9.2040 -9.1903 -9.1903 -9.1903 -9.1903 -8.3660 -8.3660 -8.3660 -8.3660 -8.3381 -8.3381 -8.3381 -8.3381 -8.3247 -8.3247 -8.3247 -8.3247 -6.9875 -6.9875 -6.9875 -6.9875 0.1923 0.1923 0.1923 0.1923 2.5287 2.5287 2.5287 2.5287 3.4185 3.4185 3.4185 3.4185 4.7384 4.7384 4.7384 4.7384 7.1897 7.1897 7.1897 7.1897 7.9949 7.9949 7.9949 7.9949 k =-0.1800 0.0670 0.6933 ( 4442 PWs) bands (ev): -9.2041 -9.2041 -9.2041 -9.2041 -9.1901 -9.1901 -9.1901 -9.1901 -8.3659 -8.3659 -8.3659 -8.3659 -8.3382 -8.3382 -8.3382 -8.3382 -8.3242 -8.3242 -8.3242 -8.3242 -6.9877 -6.9877 -6.9877 -6.9877 0.1601 0.1601 0.1601 0.1601 2.5839 2.5839 2.5839 2.5839 3.4275 3.4275 3.4275 3.4275 4.7316 4.7316 4.7316 4.7316 7.1973 7.1973 7.1973 7.1973 8.0189 8.0189 8.0189 8.0189 k =-0.2000 0.0745 0.6933 ( 4444 PWs) bands (ev): -9.2043 -9.2043 -9.2043 -9.2043 -9.1898 -9.1898 -9.1898 -9.1898 -8.3658 -8.3658 -8.3658 -8.3658 -8.3383 -8.3383 -8.3383 -8.3383 -8.3237 -8.3237 -8.3237 -8.3237 -6.9878 -6.9878 -6.9878 -6.9878 0.1274 0.1274 0.1274 0.1274 2.6398 2.6398 2.6398 2.6398 3.4391 3.4391 3.4391 3.4391 4.7247 4.7247 4.7247 4.7247 7.2031 7.2031 7.2031 7.2031 8.0446 8.0446 8.0446 8.0446 k =-0.2200 0.0819 0.6933 ( 4444 PWs) bands (ev): -9.2044 -9.2044 -9.2044 -9.2044 -9.1895 -9.1895 -9.1895 -9.1895 -8.3657 -8.3657 -8.3657 -8.3657 -8.3385 -8.3385 -8.3385 -8.3385 -8.3232 -8.3232 -8.3232 -8.3232 -6.9879 -6.9879 -6.9879 -6.9879 0.0947 0.0947 0.0947 0.0947 2.6952 2.6952 2.6952 2.6952 3.4539 3.4539 3.4539 3.4539 4.7179 4.7179 4.7179 4.7179 7.2064 7.2064 7.2064 7.2064 8.0717 8.0717 8.0717 8.0717 k =-0.2400 0.0893 0.6933 ( 4444 PWs) bands (ev): -9.2045 -9.2045 -9.2045 -9.2045 -9.1893 -9.1893 -9.1893 -9.1893 -8.3655 -8.3655 -8.3655 -8.3655 -8.3386 -8.3386 -8.3386 -8.3386 -8.3226 -8.3226 -8.3226 -8.3226 -6.9881 -6.9881 -6.9881 -6.9881 0.0625 0.0625 0.0625 0.0625 2.7485 2.7485 2.7485 2.7485 3.4723 3.4723 3.4723 3.4723 4.7113 4.7113 4.7113 4.7113 7.2062 7.2062 7.2062 7.2062 8.0997 8.0997 8.0997 8.0997 k =-0.2600 0.0968 0.6933 ( 4440 PWs) bands (ev): -9.2046 -9.2046 -9.2046 -9.2046 -9.1890 -9.1890 -9.1890 -9.1890 -8.3654 -8.3654 -8.3654 -8.3654 -8.3387 -8.3387 -8.3387 -8.3387 -8.3221 -8.3221 -8.3221 -8.3221 -6.9882 -6.9882 -6.9882 -6.9882 0.0313 0.0313 0.0313 0.0313 2.7984 2.7984 2.7984 2.7984 3.4947 3.4947 3.4947 3.4947 4.7052 4.7052 4.7052 4.7052 7.2022 7.2022 7.2022 7.2022 8.1283 8.1283 8.1283 8.1283 k =-0.2800 0.1042 0.6933 ( 4434 PWs) bands (ev): -9.2048 -9.2048 -9.2048 -9.2048 -9.1887 -9.1887 -9.1887 -9.1887 -8.3653 -8.3653 -8.3653 -8.3653 -8.3388 -8.3388 -8.3388 -8.3388 -8.3216 -8.3216 -8.3216 -8.3216 -6.9884 -6.9884 -6.9884 -6.9884 0.0014 0.0014 0.0014 0.0014 2.8437 2.8437 2.8437 2.8437 3.5214 3.5214 3.5214 3.5214 4.6998 4.6998 4.6998 4.6998 7.1937 7.1937 7.1937 7.1937 8.1570 8.1570 8.1570 8.1570 k =-0.3000 0.1117 0.6933 ( 4442 PWs) bands (ev): -9.2049 -9.2049 -9.2049 -9.2049 -9.1885 -9.1885 -9.1885 -9.1885 -8.3652 -8.3652 -8.3652 -8.3652 -8.3389 -8.3389 -8.3389 -8.3389 -8.3211 -8.3211 -8.3211 -8.3211 -6.9885 -6.9885 -6.9885 -6.9885 -0.0268 -0.0268 -0.0268 -0.0268 2.8837 2.8837 2.8837 2.8837 3.5522 3.5522 3.5522 3.5522 4.6951 4.6951 4.6951 4.6951 7.1806 7.1806 7.1806 7.1806 8.1853 8.1853 8.1853 8.1853 k =-0.3200 0.1191 0.6933 ( 4450 PWs) bands (ev): -9.2050 -9.2050 -9.2050 -9.2050 -9.1882 -9.1882 -9.1882 -9.1882 -8.3651 -8.3651 -8.3651 -8.3651 -8.3390 -8.3390 -8.3390 -8.3390 -8.3206 -8.3206 -8.3206 -8.3206 -6.9887 -6.9887 -6.9887 -6.9887 -0.0530 -0.0530 -0.0530 -0.0530 2.9180 2.9180 2.9180 2.9180 3.5864 3.5864 3.5864 3.5864 4.6912 4.6912 4.6912 4.6912 7.1631 7.1631 7.1631 7.1631 8.2128 8.2128 8.2128 8.2128 k =-0.3400 0.1266 0.6933 ( 4446 PWs) bands (ev): -9.2051 -9.2051 -9.2051 -9.2051 -9.1880 -9.1880 -9.1880 -9.1880 -8.3650 -8.3650 -8.3650 -8.3650 -8.3391 -8.3391 -8.3391 -8.3391 -8.3201 -8.3201 -8.3201 -8.3201 -6.9888 -6.9888 -6.9888 -6.9888 -0.0771 -0.0771 -0.0771 -0.0771 2.9465 2.9465 2.9465 2.9465 3.6230 3.6230 3.6230 3.6230 4.6884 4.6884 4.6884 4.6884 7.1417 7.1417 7.1417 7.1417 8.2389 8.2389 8.2389 8.2389 k =-0.3600 0.1340 0.6933 ( 4454 PWs) bands (ev): -9.2051 -9.2051 -9.2051 -9.2051 -9.1878 -9.1878 -9.1878 -9.1878 -8.3650 -8.3650 -8.3650 -8.3650 -8.3391 -8.3391 -8.3391 -8.3391 -8.3197 -8.3197 -8.3197 -8.3197 -6.9889 -6.9889 -6.9889 -6.9889 -0.0987 -0.0987 -0.0987 -0.0987 2.9697 2.9697 2.9697 2.9697 3.6605 3.6605 3.6605 3.6605 4.6865 4.6865 4.6865 4.6865 7.1174 7.1174 7.1174 7.1174 8.2633 8.2633 8.2633 8.2633 k =-0.3800 0.1415 0.6933 ( 4454 PWs) bands (ev): -9.2052 -9.2052 -9.2052 -9.2052 -9.1876 -9.1876 -9.1876 -9.1876 -8.3649 -8.3649 -8.3649 -8.3649 -8.3392 -8.3392 -8.3392 -8.3392 -8.3194 -8.3194 -8.3194 -8.3194 -6.9890 -6.9890 -6.9890 -6.9890 -0.1178 -0.1178 -0.1178 -0.1178 2.9882 2.9882 2.9882 2.9882 3.6973 3.6973 3.6973 3.6973 4.6857 4.6857 4.6857 4.6857 7.0916 7.0916 7.0916 7.0916 8.2855 8.2855 8.2855 8.2855 k =-0.4000 0.1489 0.6933 ( 4452 PWs) bands (ev): -9.2053 -9.2053 -9.2053 -9.2053 -9.1875 -9.1875 -9.1875 -9.1875 -8.3648 -8.3648 -8.3648 -8.3648 -8.3392 -8.3392 -8.3392 -8.3392 -8.3190 -8.3190 -8.3190 -8.3190 -6.9891 -6.9891 -6.9891 -6.9891 -0.1342 -0.1342 -0.1342 -0.1342 3.0025 3.0025 3.0025 3.0025 3.7317 3.7317 3.7317 3.7317 4.6856 4.6856 4.6856 4.6856 7.0657 7.0657 7.0657 7.0657 8.3051 8.3051 8.3051 8.3051 k =-0.4200 0.1563 0.6933 ( 4450 PWs) bands (ev): -9.2053 -9.2053 -9.2053 -9.2053 -9.1873 -9.1873 -9.1873 -9.1873 -8.3648 -8.3648 -8.3648 -8.3648 -8.3393 -8.3393 -8.3393 -8.3393 -8.3187 -8.3187 -8.3187 -8.3187 -6.9892 -6.9892 -6.9892 -6.9892 -0.1477 -0.1477 -0.1477 -0.1477 3.0133 3.0133 3.0133 3.0133 3.7621 3.7621 3.7621 3.7621 4.6862 4.6862 4.6862 4.6862 7.0414 7.0414 7.0414 7.0414 8.3217 8.3217 8.3217 8.3217 k =-0.4400 0.1638 0.6933 ( 4450 PWs) bands (ev): -9.2054 -9.2054 -9.2054 -9.2054 -9.1872 -9.1872 -9.1872 -9.1872 -8.3647 -8.3647 -8.3647 -8.3647 -8.3393 -8.3393 -8.3393 -8.3393 -8.3185 -8.3185 -8.3185 -8.3185 -6.9892 -6.9892 -6.9892 -6.9892 -0.1583 -0.1583 -0.1583 -0.1583 3.0212 3.0212 3.0212 3.0212 3.7873 3.7873 3.7873 3.7873 4.6872 4.6872 4.6872 4.6872 7.0204 7.0204 7.0204 7.0204 8.3351 8.3351 8.3351 8.3351 k =-0.4600 0.1712 0.6933 ( 4458 PWs) bands (ev): -9.2054 -9.2054 -9.2054 -9.2054 -9.1871 -9.1871 -9.1871 -9.1871 -8.3647 -8.3647 -8.3647 -8.3647 -8.3393 -8.3393 -8.3393 -8.3393 -8.3184 -8.3184 -8.3184 -8.3184 -6.9893 -6.9893 -6.9893 -6.9893 -0.1660 -0.1660 -0.1660 -0.1660 3.0265 3.0265 3.0265 3.0265 3.8060 3.8060 3.8060 3.8060 4.6881 4.6881 4.6881 4.6881 7.0042 7.0042 7.0042 7.0042 8.3448 8.3448 8.3448 8.3448 k =-0.4800 0.1787 0.6933 ( 4454 PWs) bands (ev): -9.2054 -9.2054 -9.2054 -9.2054 -9.1871 -9.1871 -9.1871 -9.1871 -8.3647 -8.3647 -8.3647 -8.3647 -8.3393 -8.3393 -8.3393 -8.3393 -8.3183 -8.3183 -8.3183 -8.3183 -6.9893 -6.9893 -6.9893 -6.9893 -0.1706 -0.1706 -0.1706 -0.1706 3.0296 3.0296 3.0296 3.0296 3.8175 3.8175 3.8175 3.8175 4.6889 4.6889 4.6889 4.6889 6.9940 6.9940 6.9940 6.9940 8.3507 8.3507 8.3507 8.3507 k =-0.5000 0.1861 0.6933 ( 4460 PWs) bands (ev): -9.2054 -9.2054 -9.2054 -9.2054 -9.1871 -9.1871 -9.1871 -9.1871 -8.3647 -8.3647 -8.3647 -8.3647 -8.3393 -8.3393 -8.3393 -8.3393 -8.3182 -8.3182 -8.3182 -8.3182 -6.9893 -6.9893 -6.9893 -6.9893 -0.1721 -0.1721 -0.1721 -0.1721 3.0306 3.0306 3.0306 3.0306 3.8214 3.8214 3.8214 3.8214 4.6891 4.6891 4.6891 4.6891 6.9905 6.9905 6.9905 6.9905 8.3527 8.3527 8.3527 8.3527 Writing output data file InI.save init_run : 0.26s CPU 0.38s WALL ( 1 calls) electrons : 163.17s CPU 165.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 163.16s CPU 165.37s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 352 calls) cegterg : 147.97s CPU 149.70s WALL ( 414 calls) Called by sum_band: Called by *egterg: h_psi : 106.48s CPU 107.69s WALL ( 6763 calls) s_psi : 4.38s CPU 4.52s WALL ( 6763 calls) g_psi : 0.21s CPU 0.21s WALL ( 5997 calls) cdiaghg : 36.21s CPU 36.79s WALL ( 6349 calls) cegterg:over : 4.86s CPU 4.84s WALL ( 5997 calls) cegterg:upda : 3.99s CPU 4.00s WALL ( 5997 calls) cegterg:last : 2.15s CPU 2.22s WALL ( 1118 calls) cdiaghg:chol : 2.08s CPU 2.08s WALL ( 6349 calls) cdiaghg:inve : 1.31s CPU 1.31s WALL ( 6349 calls) cdiaghg:para : 2.14s CPU 2.10s WALL ( 12698 calls) Called by h_psi: h_psi:vloc : 96.04s CPU 97.28s WALL ( 6763 calls) h_psi:vnl : 10.26s CPU 10.21s WALL ( 6763 calls) add_vuspsi : 5.30s CPU 5.23s WALL ( 6763 calls) General routines calbec : 4.93s CPU 4.96s WALL ( 6763 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.04s CPU 91.31s WALL ( 681508 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.21s WALL ( 704 calls) Parallel routines fft_scatter : 23.38s CPU 23.90s WALL ( 681531 calls) PWSCF : 3m 0.24s CPU 3m19.58s WALL This run was terminated on: 11:23:25 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=