Program PWSCF v.5.1.1 starts on 21Jul2015 at 7:27:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SnSe.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 28 8 1001 668 106 Max 38 29 9 1004 685 109 Sum 1783 1357 395 48087 32387 5149 bravais-lattice index = 14 lattice parameter (alat) = 11.7046 a.u. unit-cell volume = 720.7426 (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 = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.704646 celldm(2)= 1.000000 celldm(3)= 0.691333 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.759800 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.759800 0.650157 0.000000 ) a(3) = ( 0.000000 0.000000 0.691333 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.168641 -0.000000 ) b(2) = ( 0.000000 1.538091 -0.000000 ) b(3) = ( 0.000000 0.000000 1.446481 ) PseudoPot. # 1 for Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Se 6.00 78.96000 Se( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 394 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0067648 0.0183106 -0.0000000), wk = 0.0025381 k( 3) = ( 0.0135297 0.0366212 -0.0000000), wk = 0.0025381 k( 4) = ( 0.0202945 0.0549318 -0.0000000), wk = 0.0025381 k( 5) = ( 0.0270593 0.0732424 -0.0000000), wk = 0.0025381 k( 6) = ( 0.0338242 0.0915530 -0.0000000), wk = 0.0025381 k( 7) = ( 0.0405890 0.1098636 -0.0000000), wk = 0.0025381 k( 8) = ( 0.0473539 0.1281742 -0.0000000), wk = 0.0025381 k( 9) = ( 0.0541187 0.1464848 -0.0000000), wk = 0.0025381 k( 10) = ( 0.0608835 0.1647954 -0.0000000), wk = 0.0025381 k( 11) = ( 0.0676484 0.1831060 -0.0000000), wk = 0.0025381 k( 12) = ( 0.0744132 0.2014166 -0.0000000), wk = 0.0025381 k( 13) = ( 0.0811781 0.2197272 -0.0000000), wk = 0.0025381 k( 14) = ( 0.0879429 0.2380378 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0947077 0.2563484 -0.0000000), wk = 0.0025381 k( 16) = ( 0.1014726 0.2746590 -0.0000000), wk = 0.0025381 k( 17) = ( 0.1082374 0.2929696 -0.0000000), wk = 0.0025381 k( 18) = ( 0.1150022 0.3112802 -0.0000000), wk = 0.0025381 k( 19) = ( 0.1217671 0.3295908 -0.0000000), wk = 0.0025381 k( 20) = ( 0.1285319 0.3479014 -0.0000000), wk = 0.0025381 k( 21) = ( 0.1352967 0.3662120 -0.0000000), wk = 0.0025381 k( 22) = ( 0.1420616 0.3845226 -0.0000000), wk = 0.0025381 k( 23) = ( 0.1488264 0.4028332 -0.0000000), wk = 0.0025381 k( 24) = ( 0.1555913 0.4211439 -0.0000000), wk = 0.0025381 k( 25) = ( 0.1623561 0.4394544 -0.0000000), wk = 0.0025381 k( 26) = ( 0.1691209 0.4577650 -0.0000000), wk = 0.0025381 k( 27) = ( 0.1758858 0.4760756 -0.0000000), wk = 0.0025381 k( 28) = ( 0.1826506 0.4943863 -0.0000000), wk = 0.0025381 k( 29) = ( 0.1894155 0.5126969 -0.0000000), wk = 0.0025381 k( 30) = ( 0.1961803 0.5310074 -0.0000000), wk = 0.0025381 k( 31) = ( 0.2029451 0.5493181 -0.0000000), wk = 0.0025381 k( 32) = ( 0.2097100 0.5676287 -0.0000000), wk = 0.0025381 k( 33) = ( 0.2164748 0.5859393 -0.0000000), wk = 0.0025381 k( 34) = ( 0.2232396 0.6042499 -0.0000000), wk = 0.0025381 k( 35) = ( 0.2300045 0.6225605 -0.0000000), wk = 0.0025381 k( 36) = ( 0.2367693 0.6408711 -0.0000000), wk = 0.0025381 k( 37) = ( 0.2435342 0.6591817 -0.0000000), wk = 0.0025381 k( 38) = ( 0.2502990 0.6774923 -0.0000000), wk = 0.0025381 k( 39) = ( 0.2570638 0.6958029 -0.0000000), wk = 0.0025381 k( 40) = ( 0.2638287 0.7141135 -0.0000000), wk = 0.0025381 k( 41) = ( 0.2705935 0.7324241 -0.0000000), wk = 0.0025381 k( 42) = ( 0.2773583 0.7507347 -0.0000000), wk = 0.0025381 k( 43) = ( 0.2841232 0.7690453 -0.0000000), wk = 0.0025381 k( 44) = ( 0.2841232 0.7690453 -0.0000000), wk = 0.0025381 k( 45) = ( 0.2651816 0.7690453 -0.0000000), wk = 0.0025381 k( 46) = ( 0.2462401 0.7690453 -0.0000000), wk = 0.0025381 k( 47) = ( 0.2272985 0.7690453 -0.0000000), wk = 0.0025381 k( 48) = ( 0.2083570 0.7690453 -0.0000000), wk = 0.0025381 k( 49) = ( 0.1894155 0.7690453 -0.0000000), wk = 0.0025381 k( 50) = ( 0.1704739 0.7690453 -0.0000000), wk = 0.0025381 k( 51) = ( 0.1515324 0.7690453 -0.0000000), wk = 0.0025381 k( 52) = ( 0.1325908 0.7690453 -0.0000000), wk = 0.0025381 k( 53) = ( 0.1136493 0.7690453 -0.0000000), wk = 0.0025381 k( 54) = ( 0.0947077 0.7690453 -0.0000000), wk = 0.0025381 k( 55) = ( 0.0757662 0.7690453 -0.0000000), wk = 0.0025381 k( 56) = ( 0.0568246 0.7690453 -0.0000000), wk = 0.0025381 k( 57) = ( 0.0378831 0.7690453 -0.0000000), wk = 0.0025381 k( 58) = ( 0.0189416 0.7690453 -0.0000000), wk = 0.0025381 k( 59) = ( 0.0000000 0.7690453 -0.0000000), wk = 0.0025381 k( 60) = ( 0.0000000 0.7690453 -0.0000000), wk = 0.0025381 k( 61) = ( 0.0000000 0.7690453 0.0195470), wk = 0.0025381 k( 62) = ( 0.0000000 0.7690453 0.0390941), wk = 0.0025381 k( 63) = ( 0.0000000 0.7690453 0.0586411), wk = 0.0025381 k( 64) = ( 0.0000000 0.7690453 0.0781882), wk = 0.0025381 k( 65) = ( 0.0000000 0.7690453 0.0977352), wk = 0.0025381 k( 66) = ( 0.0000000 0.7690453 0.1172823), wk = 0.0025381 k( 67) = ( 0.0000000 0.7690453 0.1368293), wk = 0.0025381 k( 68) = ( 0.0000000 0.7690453 0.1563764), wk = 0.0025381 k( 69) = ( 0.0000000 0.7690453 0.1759234), wk = 0.0025381 k( 70) = ( 0.0000000 0.7690453 0.1954704), wk = 0.0025381 k( 71) = ( 0.0000000 0.7690453 0.2150175), wk = 0.0025381 k( 72) = ( 0.0000000 0.7690453 0.2345645), wk = 0.0025381 k( 73) = ( 0.0000000 0.7690453 0.2541116), wk = 0.0025381 k( 74) = ( 0.0000000 0.7690453 0.2736586), wk = 0.0025381 k( 75) = ( 0.0000000 0.7690453 0.2932056), wk = 0.0025381 k( 76) = ( 0.0000000 0.7690453 0.3127527), wk = 0.0025381 k( 77) = ( 0.0000000 0.7690453 0.3322997), wk = 0.0025381 k( 78) = ( 0.0000000 0.7690453 0.3518468), wk = 0.0025381 k( 79) = ( 0.0000000 0.7690453 0.3713938), wk = 0.0025381 k( 80) = ( 0.0000000 0.7690453 0.3909409), wk = 0.0025381 k( 81) = ( 0.0000000 0.7690453 0.4104879), wk = 0.0025381 k( 82) = ( 0.0000000 0.7690453 0.4300350), wk = 0.0025381 k( 83) = ( 0.0000000 0.7690453 0.4495820), wk = 0.0025381 k( 84) = ( 0.0000000 0.7690453 0.4691290), wk = 0.0025381 k( 85) = ( 0.0000000 0.7690453 0.4886761), wk = 0.0025381 k( 86) = ( 0.0000000 0.7690453 0.5082231), wk = 0.0025381 k( 87) = ( 0.0000000 0.7690453 0.5277702), wk = 0.0025381 k( 88) = ( 0.0000000 0.7690453 0.5473172), wk = 0.0025381 k( 89) = ( 0.0000000 0.7690453 0.5668643), wk = 0.0025381 k( 90) = ( 0.0000000 0.7690453 0.5864113), wk = 0.0025381 k( 91) = ( 0.0000000 0.7690453 0.6059584), wk = 0.0025381 k( 92) = ( 0.0000000 0.7690453 0.6255054), wk = 0.0025381 k( 93) = ( 0.0000000 0.7690453 0.6450524), wk = 0.0025381 k( 94) = ( 0.0000000 0.7690453 0.6645995), wk = 0.0025381 k( 95) = ( 0.0000000 0.7690453 0.6841465), wk = 0.0025381 k( 96) = ( 0.0000000 0.7690453 0.7036936), wk = 0.0025381 k( 97) = ( 0.0000000 0.7690453 0.7232406), wk = 0.0025381 k( 98) = ( 0.0000000 0.7690453 0.7232406), wk = 0.0025381 k( 99) = ( 0.0189416 0.7690453 0.7232406), wk = 0.0025381 k( 100) = ( 0.0378831 0.7690453 0.7232406), wk = 0.0025381 k( 101) = ( 0.0568246 0.7690453 0.7232406), wk = 0.0025381 k( 102) = ( 0.0757662 0.7690453 0.7232406), wk = 0.0025381 k( 103) = ( 0.0947077 0.7690453 0.7232406), wk = 0.0025381 k( 104) = ( 0.1136493 0.7690453 0.7232406), wk = 0.0025381 k( 105) = ( 0.1325908 0.7690453 0.7232406), wk = 0.0025381 k( 106) = ( 0.1515324 0.7690453 0.7232406), wk = 0.0025381 k( 107) = ( 0.1704739 0.7690453 0.7232406), wk = 0.0025381 k( 108) = ( 0.1894155 0.7690453 0.7232406), wk = 0.0025381 k( 109) = ( 0.2083570 0.7690453 0.7232406), wk = 0.0025381 k( 110) = ( 0.2272985 0.7690453 0.7232406), wk = 0.0025381 k( 111) = ( 0.2462401 0.7690453 0.7232406), wk = 0.0025381 k( 112) = ( 0.2651816 0.7690453 0.7232406), wk = 0.0025381 k( 113) = ( 0.2841232 0.7690453 0.7232406), wk = 0.0025381 k( 114) = ( 0.2841232 0.7690453 0.7232406), wk = 0.0025381 k( 115) = ( 0.2773583 0.7507347 0.7232406), wk = 0.0025381 k( 116) = ( 0.2705935 0.7324241 0.7232406), wk = 0.0025381 k( 117) = ( 0.2638287 0.7141135 0.7232406), wk = 0.0025381 k( 118) = ( 0.2570638 0.6958029 0.7232406), wk = 0.0025381 k( 119) = ( 0.2502990 0.6774923 0.7232406), wk = 0.0025381 k( 120) = ( 0.2435342 0.6591817 0.7232406), wk = 0.0025381 k( 121) = ( 0.2367693 0.6408711 0.7232406), wk = 0.0025381 k( 122) = ( 0.2300045 0.6225605 0.7232406), wk = 0.0025381 k( 123) = ( 0.2232396 0.6042499 0.7232406), wk = 0.0025381 k( 124) = ( 0.2164748 0.5859393 0.7232406), wk = 0.0025381 k( 125) = ( 0.2097100 0.5676287 0.7232406), wk = 0.0025381 k( 126) = ( 0.2029451 0.5493181 0.7232406), wk = 0.0025381 k( 127) = ( 0.1961803 0.5310074 0.7232406), wk = 0.0025381 k( 128) = ( 0.1894155 0.5126969 0.7232406), wk = 0.0025381 k( 129) = ( 0.1826506 0.4943863 0.7232406), wk = 0.0025381 k( 130) = ( 0.1758858 0.4760756 0.7232406), wk = 0.0025381 k( 131) = ( 0.1691209 0.4577650 0.7232406), wk = 0.0025381 k( 132) = ( 0.1623561 0.4394544 0.7232406), wk = 0.0025381 k( 133) = ( 0.1555913 0.4211439 0.7232406), wk = 0.0025381 k( 134) = ( 0.1488264 0.4028332 0.7232406), wk = 0.0025381 k( 135) = ( 0.1420616 0.3845226 0.7232406), wk = 0.0025381 k( 136) = ( 0.1352967 0.3662120 0.7232406), wk = 0.0025381 k( 137) = ( 0.1285319 0.3479014 0.7232406), wk = 0.0025381 k( 138) = ( 0.1217671 0.3295908 0.7232406), wk = 0.0025381 k( 139) = ( 0.1150022 0.3112802 0.7232406), wk = 0.0025381 k( 140) = ( 0.1082374 0.2929696 0.7232406), wk = 0.0025381 k( 141) = ( 0.1014726 0.2746590 0.7232406), wk = 0.0025381 k( 142) = ( 0.0947077 0.2563484 0.7232406), wk = 0.0025381 k( 143) = ( 0.0879429 0.2380378 0.7232406), wk = 0.0025381 k( 144) = ( 0.0811781 0.2197272 0.7232406), wk = 0.0025381 k( 145) = ( 0.0744132 0.2014166 0.7232406), wk = 0.0025381 k( 146) = ( 0.0676484 0.1831060 0.7232406), wk = 0.0025381 k( 147) = ( 0.0608835 0.1647954 0.7232406), wk = 0.0025381 k( 148) = ( 0.0541187 0.1464848 0.7232406), wk = 0.0025381 k( 149) = ( 0.0473539 0.1281742 0.7232406), wk = 0.0025381 k( 150) = ( 0.0405890 0.1098636 0.7232406), wk = 0.0025381 k( 151) = ( 0.0338242 0.0915530 0.7232406), wk = 0.0025381 k( 152) = ( 0.0270593 0.0732424 0.7232406), wk = 0.0025381 k( 153) = ( 0.0202945 0.0549318 0.7232406), wk = 0.0025381 k( 154) = ( 0.0135297 0.0366212 0.7232406), wk = 0.0025381 k( 155) = ( 0.0067648 0.0183106 0.7232406), wk = 0.0025381 k( 156) = ( 0.0000000 0.0000000 0.7232406), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.7232406), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.7036936), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.6841465), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.6645995), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.6450524), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.6255054), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.6059584), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.5864113), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.5668643), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.5473172), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.5277702), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.5082231), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.4886761), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.4691290), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.4495820), wk = 0.0025381 k( 172) = ( 0.0000000 0.0000000 0.4300350), wk = 0.0025381 k( 173) = ( 0.0000000 0.0000000 0.4104879), wk = 0.0025381 k( 174) = ( 0.0000000 0.0000000 0.3909409), wk = 0.0025381 k( 175) = ( 0.0000000 0.0000000 0.3713938), wk = 0.0025381 k( 176) = ( 0.0000000 0.0000000 0.3518468), wk = 0.0025381 k( 177) = ( 0.0000000 0.0000000 0.3322997), wk = 0.0025381 k( 178) = ( 0.0000000 0.0000000 0.3127527), wk = 0.0025381 k( 179) = ( 0.0000000 0.0000000 0.2932056), wk = 0.0025381 k( 180) = ( 0.0000000 0.0000000 0.2736586), wk = 0.0025381 k( 181) = ( 0.0000000 0.0000000 0.2541116), wk = 0.0025381 k( 182) = ( 0.0000000 0.0000000 0.2345645), wk = 0.0025381 k( 183) = ( 0.0000000 0.0000000 0.2150175), wk = 0.0025381 k( 184) = ( 0.0000000 0.0000000 0.1954704), wk = 0.0025381 k( 185) = ( 0.0000000 0.0000000 0.1759234), wk = 0.0025381 k( 186) = ( 0.0000000 0.0000000 0.1563764), wk = 0.0025381 k( 187) = ( 0.0000000 0.0000000 0.1368293), wk = 0.0025381 k( 188) = ( 0.0000000 0.0000000 0.1172823), wk = 0.0025381 k( 189) = ( 0.0000000 0.0000000 0.0977352), wk = 0.0025381 k( 190) = ( 0.0000000 0.0000000 0.0781882), wk = 0.0025381 k( 191) = ( 0.0000000 0.0000000 0.0586411), wk = 0.0025381 k( 192) = ( 0.0000000 0.0000000 0.0390941), wk = 0.0025381 k( 193) = ( 0.0000000 0.0000000 0.0195470), wk = 0.0025381 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 196) = ( -0.0178571 0.0065973 -0.0000000), wk = 0.0025381 k( 197) = ( -0.0357143 0.0131946 -0.0000000), wk = 0.0025381 k( 198) = ( -0.0535714 0.0197919 -0.0000000), wk = 0.0025381 k( 199) = ( -0.0714286 0.0263892 -0.0000000), wk = 0.0025381 k( 200) = ( -0.0892857 0.0329865 -0.0000000), wk = 0.0025381 k( 201) = ( -0.1071429 0.0395838 -0.0000000), wk = 0.0025381 k( 202) = ( -0.1250000 0.0461812 -0.0000000), wk = 0.0025381 k( 203) = ( -0.1428571 0.0527785 -0.0000000), wk = 0.0025381 k( 204) = ( -0.1607143 0.0593758 -0.0000000), wk = 0.0025381 k( 205) = ( -0.1785714 0.0659731 -0.0000000), wk = 0.0025381 k( 206) = ( -0.1964286 0.0725704 -0.0000000), wk = 0.0025381 k( 207) = ( -0.2142857 0.0791677 -0.0000000), wk = 0.0025381 k( 208) = ( -0.2321429 0.0857650 -0.0000000), wk = 0.0025381 k( 209) = ( -0.2500000 0.0923623 -0.0000000), wk = 0.0025381 k( 210) = ( -0.2678571 0.0989596 -0.0000000), wk = 0.0025381 k( 211) = ( -0.2857143 0.1055569 -0.0000000), wk = 0.0025381 k( 212) = ( -0.3035714 0.1121542 -0.0000000), wk = 0.0025381 k( 213) = ( -0.3214286 0.1187515 -0.0000000), wk = 0.0025381 k( 214) = ( -0.3392857 0.1253488 -0.0000000), wk = 0.0025381 k( 215) = ( -0.3571429 0.1319462 -0.0000000), wk = 0.0025381 k( 216) = ( -0.3750000 0.1385435 -0.0000000), wk = 0.0025381 k( 217) = ( -0.3928571 0.1451408 -0.0000000), wk = 0.0025381 k( 218) = ( -0.4107143 0.1517381 -0.0000000), wk = 0.0025381 k( 219) = ( -0.4285714 0.1583354 -0.0000000), wk = 0.0025381 k( 220) = ( -0.4464286 0.1649327 -0.0000000), wk = 0.0025381 k( 221) = ( -0.4642857 0.1715300 -0.0000000), wk = 0.0025381 k( 222) = ( -0.4821429 0.1781273 -0.0000000), wk = 0.0025381 k( 223) = ( -0.5000000 0.1847246 -0.0000000), wk = 0.0025381 k( 224) = ( -0.5000000 0.1847246 -0.0000000), wk = 0.0025381 k( 225) = ( -0.4932538 0.2029846 -0.0000000), wk = 0.0025381 k( 226) = ( -0.4865077 0.2212447 -0.0000000), wk = 0.0025381 k( 227) = ( -0.4797615 0.2395047 -0.0000000), wk = 0.0025381 k( 228) = ( -0.4730154 0.2577647 -0.0000000), wk = 0.0025381 k( 229) = ( -0.4662693 0.2760247 -0.0000000), wk = 0.0025381 k( 230) = ( -0.4595231 0.2942847 -0.0000000), wk = 0.0025381 k( 231) = ( -0.4527770 0.3125447 -0.0000000), wk = 0.0025381 k( 232) = ( -0.4460308 0.3308048 -0.0000000), wk = 0.0025381 k( 233) = ( -0.4392846 0.3490648 -0.0000000), wk = 0.0025381 k( 234) = ( -0.4325385 0.3673248 -0.0000000), wk = 0.0025381 k( 235) = ( -0.4257923 0.3855849 -0.0000000), wk = 0.0025381 k( 236) = ( -0.4190462 0.4038449 -0.0000000), wk = 0.0025381 k( 237) = ( -0.4123000 0.4221049 -0.0000000), wk = 0.0025381 k( 238) = ( -0.4055539 0.4403649 -0.0000000), wk = 0.0025381 k( 239) = ( -0.3988077 0.4586249 -0.0000000), wk = 0.0025381 k( 240) = ( -0.3920616 0.4768849 -0.0000000), wk = 0.0025381 k( 241) = ( -0.3853154 0.4951450 -0.0000000), wk = 0.0025381 k( 242) = ( -0.3785693 0.5134050 -0.0000000), wk = 0.0025381 k( 243) = ( -0.3718231 0.5316650 -0.0000000), wk = 0.0025381 k( 244) = ( -0.3650770 0.5499250 -0.0000000), wk = 0.0025381 k( 245) = ( -0.3583308 0.5681850 -0.0000000), wk = 0.0025381 k( 246) = ( -0.3515847 0.5864451 -0.0000000), wk = 0.0025381 k( 247) = ( -0.3448385 0.6047051 -0.0000000), wk = 0.0025381 k( 248) = ( -0.3380924 0.6229651 -0.0000000), wk = 0.0025381 k( 249) = ( -0.3313462 0.6412251 -0.0000000), wk = 0.0025381 k( 250) = ( -0.3246001 0.6594851 -0.0000000), wk = 0.0025381 k( 251) = ( -0.3178539 0.6777452 -0.0000000), wk = 0.0025381 k( 252) = ( -0.3111078 0.6960052 -0.0000000), wk = 0.0025381 k( 253) = ( -0.3043616 0.7142652 -0.0000000), wk = 0.0025381 k( 254) = ( -0.2976155 0.7325252 -0.0000000), wk = 0.0025381 k( 255) = ( -0.2908693 0.7507853 -0.0000000), wk = 0.0025381 k( 256) = ( -0.2841232 0.7690453 -0.0000000), wk = 0.0025381 k( 257) = ( -0.2841232 0.7690453 -0.0000000), wk = 0.0025381 k( 258) = ( -0.2841232 0.7690453 0.0195470), wk = 0.0025381 k( 259) = ( -0.2841232 0.7690453 0.0390941), wk = 0.0025381 k( 260) = ( -0.2841232 0.7690453 0.0586411), wk = 0.0025381 k( 261) = ( -0.2841232 0.7690453 0.0781882), wk = 0.0025381 k( 262) = ( -0.2841232 0.7690453 0.0977352), wk = 0.0025381 k( 263) = ( -0.2841232 0.7690453 0.1172823), wk = 0.0025381 k( 264) = ( -0.2841232 0.7690453 0.1368293), wk = 0.0025381 k( 265) = ( -0.2841232 0.7690453 0.1563764), wk = 0.0025381 k( 266) = ( -0.2841232 0.7690453 0.1759234), wk = 0.0025381 k( 267) = ( -0.2841232 0.7690453 0.1954704), wk = 0.0025381 k( 268) = ( -0.2841232 0.7690453 0.2150175), wk = 0.0025381 k( 269) = ( -0.2841232 0.7690453 0.2345645), wk = 0.0025381 k( 270) = ( -0.2841232 0.7690453 0.2541116), wk = 0.0025381 k( 271) = ( -0.2841232 0.7690453 0.2736586), wk = 0.0025381 k( 272) = ( -0.2841232 0.7690453 0.2932056), wk = 0.0025381 k( 273) = ( -0.2841232 0.7690453 0.3127527), wk = 0.0025381 k( 274) = ( -0.2841232 0.7690453 0.3322997), wk = 0.0025381 k( 275) = ( -0.2841232 0.7690453 0.3518468), wk = 0.0025381 k( 276) = ( -0.2841232 0.7690453 0.3713938), wk = 0.0025381 k( 277) = ( -0.2841232 0.7690453 0.3909409), wk = 0.0025381 k( 278) = ( -0.2841232 0.7690453 0.4104879), wk = 0.0025381 k( 279) = ( -0.2841232 0.7690453 0.4300350), wk = 0.0025381 k( 280) = ( -0.2841232 0.7690453 0.4495820), wk = 0.0025381 k( 281) = ( -0.2841232 0.7690453 0.4691290), wk = 0.0025381 k( 282) = ( -0.2841232 0.7690453 0.4886761), wk = 0.0025381 k( 283) = ( -0.2841232 0.7690453 0.5082231), wk = 0.0025381 k( 284) = ( -0.2841232 0.7690453 0.5277702), wk = 0.0025381 k( 285) = ( -0.2841232 0.7690453 0.5473172), wk = 0.0025381 k( 286) = ( -0.2841232 0.7690453 0.5668643), wk = 0.0025381 k( 287) = ( -0.2841232 0.7690453 0.5864113), wk = 0.0025381 k( 288) = ( -0.2841232 0.7690453 0.6059584), wk = 0.0025381 k( 289) = ( -0.2841232 0.7690453 0.6255054), wk = 0.0025381 k( 290) = ( -0.2841232 0.7690453 0.6450524), wk = 0.0025381 k( 291) = ( -0.2841232 0.7690453 0.6645995), wk = 0.0025381 k( 292) = ( -0.2841232 0.7690453 0.6841465), wk = 0.0025381 k( 293) = ( -0.2841232 0.7690453 0.7036936), wk = 0.0025381 k( 294) = ( -0.2841232 0.7690453 0.7232406), wk = 0.0025381 k( 295) = ( -0.2841232 0.7690453 0.7232406), wk = 0.0025381 k( 296) = ( -0.2908693 0.7507853 0.7232406), wk = 0.0025381 k( 297) = ( -0.2976155 0.7325252 0.7232406), wk = 0.0025381 k( 298) = ( -0.3043616 0.7142652 0.7232406), wk = 0.0025381 k( 299) = ( -0.3111078 0.6960052 0.7232406), wk = 0.0025381 k( 300) = ( -0.3178539 0.6777452 0.7232406), wk = 0.0025381 k( 301) = ( -0.3246001 0.6594851 0.7232406), wk = 0.0025381 k( 302) = ( -0.3313462 0.6412251 0.7232406), wk = 0.0025381 k( 303) = ( -0.3380924 0.6229651 0.7232406), wk = 0.0025381 k( 304) = ( -0.3448385 0.6047051 0.7232406), wk = 0.0025381 k( 305) = ( -0.3515847 0.5864451 0.7232406), wk = 0.0025381 k( 306) = ( -0.3583308 0.5681850 0.7232406), wk = 0.0025381 k( 307) = ( -0.3650770 0.5499250 0.7232406), wk = 0.0025381 k( 308) = ( -0.3718231 0.5316650 0.7232406), wk = 0.0025381 k( 309) = ( -0.3785693 0.5134050 0.7232406), wk = 0.0025381 k( 310) = ( -0.3853154 0.4951450 0.7232406), wk = 0.0025381 k( 311) = ( -0.3920616 0.4768849 0.7232406), wk = 0.0025381 k( 312) = ( -0.3988077 0.4586249 0.7232406), wk = 0.0025381 k( 313) = ( -0.4055539 0.4403649 0.7232406), wk = 0.0025381 k( 314) = ( -0.4123000 0.4221049 0.7232406), wk = 0.0025381 k( 315) = ( -0.4190462 0.4038449 0.7232406), wk = 0.0025381 k( 316) = ( -0.4257923 0.3855849 0.7232406), wk = 0.0025381 k( 317) = ( -0.4325385 0.3673248 0.7232406), wk = 0.0025381 k( 318) = ( -0.4392846 0.3490648 0.7232406), wk = 0.0025381 k( 319) = ( -0.4460308 0.3308048 0.7232406), wk = 0.0025381 k( 320) = ( -0.4527770 0.3125447 0.7232406), wk = 0.0025381 k( 321) = ( -0.4595231 0.2942847 0.7232406), wk = 0.0025381 k( 322) = ( -0.4662693 0.2760247 0.7232406), wk = 0.0025381 k( 323) = ( -0.4730154 0.2577647 0.7232406), wk = 0.0025381 k( 324) = ( -0.4797615 0.2395047 0.7232406), wk = 0.0025381 k( 325) = ( -0.4865077 0.2212447 0.7232406), wk = 0.0025381 k( 326) = ( -0.4932538 0.2029846 0.7232406), wk = 0.0025381 k( 327) = ( -0.5000000 0.1847246 0.7232406), wk = 0.0025381 k( 328) = ( -0.5000000 0.1847246 0.7232406), wk = 0.0025381 k( 329) = ( -0.5000000 0.1847246 0.7036936), wk = 0.0025381 k( 330) = ( -0.5000000 0.1847246 0.6841465), wk = 0.0025381 k( 331) = ( -0.5000000 0.1847246 0.6645995), wk = 0.0025381 k( 332) = ( -0.5000000 0.1847246 0.6450524), wk = 0.0025381 k( 333) = ( -0.5000000 0.1847246 0.6255054), wk = 0.0025381 k( 334) = ( -0.5000000 0.1847246 0.6059584), wk = 0.0025381 k( 335) = ( -0.5000000 0.1847246 0.5864113), wk = 0.0025381 k( 336) = ( -0.5000000 0.1847246 0.5668643), wk = 0.0025381 k( 337) = ( -0.5000000 0.1847246 0.5473172), wk = 0.0025381 k( 338) = ( -0.5000000 0.1847246 0.5277702), wk = 0.0025381 k( 339) = ( -0.5000000 0.1847246 0.5082231), wk = 0.0025381 k( 340) = ( -0.5000000 0.1847246 0.4886761), wk = 0.0025381 k( 341) = ( -0.5000000 0.1847246 0.4691290), wk = 0.0025381 k( 342) = ( -0.5000000 0.1847246 0.4495820), wk = 0.0025381 k( 343) = ( -0.5000000 0.1847246 0.4300350), wk = 0.0025381 k( 344) = ( -0.5000000 0.1847246 0.4104879), wk = 0.0025381 k( 345) = ( -0.5000000 0.1847246 0.3909409), wk = 0.0025381 k( 346) = ( -0.5000000 0.1847246 0.3713938), wk = 0.0025381 k( 347) = ( -0.5000000 0.1847246 0.3518468), wk = 0.0025381 k( 348) = ( -0.5000000 0.1847246 0.3322997), wk = 0.0025381 k( 349) = ( -0.5000000 0.1847246 0.3127527), wk = 0.0025381 k( 350) = ( -0.5000000 0.1847246 0.2932056), wk = 0.0025381 k( 351) = ( -0.5000000 0.1847246 0.2736586), wk = 0.0025381 k( 352) = ( -0.5000000 0.1847246 0.2541116), wk = 0.0025381 k( 353) = ( -0.5000000 0.1847246 0.2345645), wk = 0.0025381 k( 354) = ( -0.5000000 0.1847246 0.2150175), wk = 0.0025381 k( 355) = ( -0.5000000 0.1847246 0.1954704), wk = 0.0025381 k( 356) = ( -0.5000000 0.1847246 0.1759234), wk = 0.0025381 k( 357) = ( -0.5000000 0.1847246 0.1563764), wk = 0.0025381 k( 358) = ( -0.5000000 0.1847246 0.1368293), wk = 0.0025381 k( 359) = ( -0.5000000 0.1847246 0.1172823), wk = 0.0025381 k( 360) = ( -0.5000000 0.1847246 0.0977352), wk = 0.0025381 k( 361) = ( -0.5000000 0.1847246 0.0781882), wk = 0.0025381 k( 362) = ( -0.5000000 0.1847246 0.0586411), wk = 0.0025381 k( 363) = ( -0.5000000 0.1847246 0.0390941), wk = 0.0025381 k( 364) = ( -0.5000000 0.1847246 0.0195470), wk = 0.0025381 k( 365) = ( -0.5000000 0.1847246 -0.0000000), wk = 0.0025381 k( 366) = ( 0.0000000 0.0000000 0.7232406), wk = 0.0025381 k( 367) = ( -0.0178571 0.0065973 0.7232406), wk = 0.0025381 k( 368) = ( -0.0357143 0.0131946 0.7232406), wk = 0.0025381 k( 369) = ( -0.0535714 0.0197919 0.7232406), wk = 0.0025381 k( 370) = ( -0.0714286 0.0263892 0.7232406), wk = 0.0025381 k( 371) = ( -0.0892857 0.0329865 0.7232406), wk = 0.0025381 k( 372) = ( -0.1071429 0.0395838 0.7232406), wk = 0.0025381 k( 373) = ( -0.1250000 0.0461812 0.7232406), wk = 0.0025381 k( 374) = ( -0.1428571 0.0527785 0.7232406), wk = 0.0025381 k( 375) = ( -0.1607143 0.0593758 0.7232406), wk = 0.0025381 k( 376) = ( -0.1785714 0.0659731 0.7232406), wk = 0.0025381 k( 377) = ( -0.1964286 0.0725704 0.7232406), wk = 0.0025381 k( 378) = ( -0.2142857 0.0791677 0.7232406), wk = 0.0025381 k( 379) = ( -0.2321429 0.0857650 0.7232406), wk = 0.0025381 k( 380) = ( -0.2500000 0.0923623 0.7232406), wk = 0.0025381 k( 381) = ( -0.2678571 0.0989596 0.7232406), wk = 0.0025381 k( 382) = ( -0.2857143 0.1055569 0.7232406), wk = 0.0025381 k( 383) = ( -0.3035714 0.1121542 0.7232406), wk = 0.0025381 k( 384) = ( -0.3214286 0.1187515 0.7232406), wk = 0.0025381 k( 385) = ( -0.3392857 0.1253488 0.7232406), wk = 0.0025381 k( 386) = ( -0.3571429 0.1319462 0.7232406), wk = 0.0025381 k( 387) = ( -0.3750000 0.1385435 0.7232406), wk = 0.0025381 k( 388) = ( -0.3928571 0.1451408 0.7232406), wk = 0.0025381 k( 389) = ( -0.4107143 0.1517381 0.7232406), wk = 0.0025381 k( 390) = ( -0.4285714 0.1583354 0.7232406), wk = 0.0025381 k( 391) = ( -0.4464286 0.1649327 0.7232406), wk = 0.0025381 k( 392) = ( -0.4642857 0.1715300 0.7232406), wk = 0.0025381 k( 393) = ( -0.4821429 0.1781273 0.7232406), wk = 0.0025381 k( 394) = ( -0.5000000 0.1847246 0.7232406), wk = 0.0025381 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0067648 0.0067648 0.0000000), wk = 0.0025381 k( 3) = ( 0.0135297 0.0135297 0.0000000), wk = 0.0025381 k( 4) = ( 0.0202945 0.0202945 -0.0000000), wk = 0.0025381 k( 5) = ( 0.0270593 0.0270593 0.0000000), wk = 0.0025381 k( 6) = ( 0.0338242 0.0338242 -0.0000000), wk = 0.0025381 k( 7) = ( 0.0405890 0.0405890 0.0000000), wk = 0.0025381 k( 8) = ( 0.0473539 0.0473539 0.0000000), wk = 0.0025381 k( 9) = ( 0.0541187 0.0541187 0.0000000), wk = 0.0025381 k( 10) = ( 0.0608835 0.0608835 -0.0000000), wk = 0.0025381 k( 11) = ( 0.0676484 0.0676484 -0.0000000), wk = 0.0025381 k( 12) = ( 0.0744132 0.0744132 0.0000000), wk = 0.0025381 k( 13) = ( 0.0811781 0.0811781 -0.0000000), wk = 0.0025381 k( 14) = ( 0.0879429 0.0879429 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0947077 0.0947077 -0.0000000), wk = 0.0025381 k( 16) = ( 0.1014726 0.1014726 0.0000000), wk = 0.0025381 k( 17) = ( 0.1082374 0.1082374 0.0000000), wk = 0.0025381 k( 18) = ( 0.1150022 0.1150022 -0.0000000), wk = 0.0025381 k( 19) = ( 0.1217671 0.1217671 -0.0000000), wk = 0.0025381 k( 20) = ( 0.1285319 0.1285319 0.0000000), wk = 0.0025381 k( 21) = ( 0.1352967 0.1352967 0.0000000), wk = 0.0025381 k( 22) = ( 0.1420616 0.1420616 0.0000000), wk = 0.0025381 k( 23) = ( 0.1488264 0.1488264 0.0000000), wk = 0.0025381 k( 24) = ( 0.1555913 0.1555913 -0.0000000), wk = 0.0025381 k( 25) = ( 0.1623561 0.1623561 -0.0000000), wk = 0.0025381 k( 26) = ( 0.1691209 0.1691209 0.0000000), wk = 0.0025381 k( 27) = ( 0.1758858 0.1758858 -0.0000000), wk = 0.0025381 k( 28) = ( 0.1826506 0.1826506 -0.0000000), wk = 0.0025381 k( 29) = ( 0.1894155 0.1894155 -0.0000000), wk = 0.0025381 k( 30) = ( 0.1961803 0.1961803 0.0000000), wk = 0.0025381 k( 31) = ( 0.2029451 0.2029451 -0.0000000), wk = 0.0025381 k( 32) = ( 0.2097100 0.2097100 0.0000000), wk = 0.0025381 k( 33) = ( 0.2164748 0.2164748 -0.0000000), wk = 0.0025381 k( 34) = ( 0.2232396 0.2232396 0.0000000), wk = 0.0025381 k( 35) = ( 0.2300045 0.2300045 -0.0000000), wk = 0.0025381 k( 36) = ( 0.2367693 0.2367693 0.0000000), wk = 0.0025381 k( 37) = ( 0.2435342 0.2435342 -0.0000000), wk = 0.0025381 k( 38) = ( 0.2502990 0.2502990 -0.0000000), wk = 0.0025381 k( 39) = ( 0.2570638 0.2570638 0.0000000), wk = 0.0025381 k( 40) = ( 0.2638287 0.2638287 0.0000000), wk = 0.0025381 k( 41) = ( 0.2705935 0.2705935 0.0000000), wk = 0.0025381 k( 42) = ( 0.2773583 0.2773583 0.0000000), wk = 0.0025381 k( 43) = ( 0.2841232 0.2841232 0.0000000), wk = 0.0025381 k( 44) = ( 0.2841232 0.2841232 0.0000000), wk = 0.0025381 k( 45) = ( 0.2651816 0.2985150 0.0000000), wk = 0.0025381 k( 46) = ( 0.2462401 0.3129068 0.0000000), wk = 0.0025381 k( 47) = ( 0.2272985 0.3272985 0.0000000), wk = 0.0025381 k( 48) = ( 0.2083570 0.3416903 0.0000000), wk = 0.0025381 k( 49) = ( 0.1894155 0.3560821 0.0000000), wk = 0.0025381 k( 50) = ( 0.1704739 0.3704739 0.0000000), wk = 0.0025381 k( 51) = ( 0.1515324 0.3848657 0.0000000), wk = 0.0025381 k( 52) = ( 0.1325908 0.3992575 0.0000000), wk = 0.0025381 k( 53) = ( 0.1136493 0.4136493 0.0000000), wk = 0.0025381 k( 54) = ( 0.0947077 0.4280411 0.0000000), wk = 0.0025381 k( 55) = ( 0.0757662 0.4424328 0.0000000), wk = 0.0025381 k( 56) = ( 0.0568246 0.4568246 -0.0000000), wk = 0.0025381 k( 57) = ( 0.0378831 0.4712164 0.0000000), wk = 0.0025381 k( 58) = ( 0.0189416 0.4856082 0.0000000), wk = 0.0025381 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 61) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0025381 k( 62) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0025381 k( 63) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0025381 k( 64) = ( 0.0000000 0.5000000 0.0540541), wk = 0.0025381 k( 65) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0025381 k( 66) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0025381 k( 67) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0025381 k( 68) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0025381 k( 69) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0025381 k( 70) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0025381 k( 71) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0025381 k( 72) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0025381 k( 73) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0025381 k( 74) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0025381 k( 75) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0025381 k( 76) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0025381 k( 77) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0025381 k( 78) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0025381 k( 79) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0025381 k( 80) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0025381 k( 81) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0025381 k( 82) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0025381 k( 83) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0025381 k( 84) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0025381 k( 85) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0025381 k( 86) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0025381 k( 87) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0025381 k( 88) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0025381 k( 89) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0025381 k( 90) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0025381 k( 91) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0025381 k( 92) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0025381 k( 93) = ( 0.0000000 0.5000000 0.4459460), wk = 0.0025381 k( 94) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0025381 k( 95) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0025381 k( 96) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0025381 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 99) = ( 0.0189416 0.4856082 0.5000000), wk = 0.0025381 k( 100) = ( 0.0378831 0.4712164 0.5000000), wk = 0.0025381 k( 101) = ( 0.0568246 0.4568246 0.5000000), wk = 0.0025381 k( 102) = ( 0.0757662 0.4424328 0.5000000), wk = 0.0025381 k( 103) = ( 0.0947077 0.4280411 0.5000000), wk = 0.0025381 k( 104) = ( 0.1136493 0.4136493 0.5000000), wk = 0.0025381 k( 105) = ( 0.1325908 0.3992575 0.5000000), wk = 0.0025381 k( 106) = ( 0.1515324 0.3848657 0.5000000), wk = 0.0025381 k( 107) = ( 0.1704739 0.3704739 0.5000000), wk = 0.0025381 k( 108) = ( 0.1894155 0.3560821 0.5000000), wk = 0.0025381 k( 109) = ( 0.2083570 0.3416903 0.5000000), wk = 0.0025381 k( 110) = ( 0.2272985 0.3272985 0.5000000), wk = 0.0025381 k( 111) = ( 0.2462401 0.3129068 0.5000000), wk = 0.0025381 k( 112) = ( 0.2651816 0.2985150 0.5000000), wk = 0.0025381 k( 113) = ( 0.2841232 0.2841232 0.5000000), wk = 0.0025381 k( 114) = ( 0.2841232 0.2841232 0.5000000), wk = 0.0025381 k( 115) = ( 0.2773583 0.2773583 0.5000000), wk = 0.0025381 k( 116) = ( 0.2705935 0.2705935 0.5000000), wk = 0.0025381 k( 117) = ( 0.2638287 0.2638287 0.5000000), wk = 0.0025381 k( 118) = ( 0.2570638 0.2570638 0.5000000), wk = 0.0025381 k( 119) = ( 0.2502990 0.2502990 0.5000000), wk = 0.0025381 k( 120) = ( 0.2435342 0.2435342 0.5000000), wk = 0.0025381 k( 121) = ( 0.2367693 0.2367693 0.5000000), wk = 0.0025381 k( 122) = ( 0.2300045 0.2300045 0.5000000), wk = 0.0025381 k( 123) = ( 0.2232396 0.2232396 0.5000000), wk = 0.0025381 k( 124) = ( 0.2164748 0.2164748 0.5000000), wk = 0.0025381 k( 125) = ( 0.2097100 0.2097100 0.5000000), wk = 0.0025381 k( 126) = ( 0.2029451 0.2029451 0.5000000), wk = 0.0025381 k( 127) = ( 0.1961803 0.1961803 0.5000000), wk = 0.0025381 k( 128) = ( 0.1894155 0.1894155 0.5000000), wk = 0.0025381 k( 129) = ( 0.1826506 0.1826506 0.5000000), wk = 0.0025381 k( 130) = ( 0.1758858 0.1758858 0.5000000), wk = 0.0025381 k( 131) = ( 0.1691209 0.1691209 0.5000000), wk = 0.0025381 k( 132) = ( 0.1623561 0.1623561 0.5000000), wk = 0.0025381 k( 133) = ( 0.1555913 0.1555913 0.5000000), wk = 0.0025381 k( 134) = ( 0.1488264 0.1488264 0.5000000), wk = 0.0025381 k( 135) = ( 0.1420616 0.1420616 0.5000000), wk = 0.0025381 k( 136) = ( 0.1352967 0.1352967 0.5000000), wk = 0.0025381 k( 137) = ( 0.1285319 0.1285319 0.5000000), wk = 0.0025381 k( 138) = ( 0.1217671 0.1217671 0.5000000), wk = 0.0025381 k( 139) = ( 0.1150022 0.1150022 0.5000000), wk = 0.0025381 k( 140) = ( 0.1082374 0.1082374 0.5000000), wk = 0.0025381 k( 141) = ( 0.1014726 0.1014726 0.5000000), wk = 0.0025381 k( 142) = ( 0.0947077 0.0947077 0.5000000), wk = 0.0025381 k( 143) = ( 0.0879429 0.0879429 0.5000000), wk = 0.0025381 k( 144) = ( 0.0811781 0.0811781 0.5000000), wk = 0.0025381 k( 145) = ( 0.0744132 0.0744132 0.5000000), wk = 0.0025381 k( 146) = ( 0.0676484 0.0676484 0.5000000), wk = 0.0025381 k( 147) = ( 0.0608835 0.0608835 0.5000000), wk = 0.0025381 k( 148) = ( 0.0541187 0.0541187 0.5000000), wk = 0.0025381 k( 149) = ( 0.0473539 0.0473539 0.5000000), wk = 0.0025381 k( 150) = ( 0.0405890 0.0405890 0.5000000), wk = 0.0025381 k( 151) = ( 0.0338242 0.0338242 0.5000000), wk = 0.0025381 k( 152) = ( 0.0270593 0.0270593 0.5000000), wk = 0.0025381 k( 153) = ( 0.0202945 0.0202945 0.5000000), wk = 0.0025381 k( 154) = ( 0.0135297 0.0135297 0.5000000), wk = 0.0025381 k( 155) = ( 0.0067648 0.0067648 0.5000000), wk = 0.0025381 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.4459460), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0025381 k( 172) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0025381 k( 173) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0025381 k( 174) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0025381 k( 175) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0025381 k( 176) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0025381 k( 177) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0025381 k( 178) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0025381 k( 179) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0025381 k( 180) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0025381 k( 181) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0025381 k( 182) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0025381 k( 183) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0025381 k( 184) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0025381 k( 185) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0025381 k( 186) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0025381 k( 187) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0025381 k( 188) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0025381 k( 189) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0025381 k( 190) = ( 0.0000000 0.0000000 0.0540541), wk = 0.0025381 k( 191) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0025381 k( 192) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0025381 k( 193) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0025381 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 196) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0025381 k( 197) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0025381 k( 198) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0025381 k( 199) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0025381 k( 200) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0025381 k( 201) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0025381 k( 202) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0025381 k( 203) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0025381 k( 204) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0025381 k( 205) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0025381 k( 206) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0025381 k( 207) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0025381 k( 208) = ( -0.2321429 0.2321429 0.0000000), wk = 0.0025381 k( 209) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0025381 k( 210) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0025381 k( 211) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0025381 k( 212) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0025381 k( 213) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0025381 k( 214) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0025381 k( 215) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0025381 k( 216) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0025381 k( 217) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0025381 k( 218) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0025381 k( 219) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0025381 k( 220) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0025381 k( 221) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0025381 k( 222) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0025381 k( 223) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 224) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 225) = ( -0.4932538 0.5067462 -0.0000000), wk = 0.0025381 k( 226) = ( -0.4865077 0.5134923 0.0000000), wk = 0.0025381 k( 227) = ( -0.4797615 0.5202385 -0.0000000), wk = 0.0025381 k( 228) = ( -0.4730154 0.5269846 0.0000000), wk = 0.0025381 k( 229) = ( -0.4662693 0.5337308 -0.0000000), wk = 0.0025381 k( 230) = ( -0.4595231 0.5404769 -0.0000000), wk = 0.0025381 k( 231) = ( -0.4527770 0.5472231 0.0000000), wk = 0.0025381 k( 232) = ( -0.4460308 0.5539692 -0.0000000), wk = 0.0025381 k( 233) = ( -0.4392846 0.5607153 -0.0000000), wk = 0.0025381 k( 234) = ( -0.4325385 0.5674615 0.0000000), wk = 0.0025381 k( 235) = ( -0.4257923 0.5742077 0.0000000), wk = 0.0025381 k( 236) = ( -0.4190462 0.5809538 0.0000000), wk = 0.0025381 k( 237) = ( -0.4123000 0.5877000 0.0000000), wk = 0.0025381 k( 238) = ( -0.4055539 0.5944461 0.0000000), wk = 0.0025381 k( 239) = ( -0.3988077 0.6011923 0.0000000), wk = 0.0025381 k( 240) = ( -0.3920616 0.6079384 0.0000000), wk = 0.0025381 k( 241) = ( -0.3853154 0.6146846 0.0000000), wk = 0.0025381 k( 242) = ( -0.3785693 0.6214307 0.0000000), wk = 0.0025381 k( 243) = ( -0.3718231 0.6281769 -0.0000000), wk = 0.0025381 k( 244) = ( -0.3650770 0.6349230 0.0000000), wk = 0.0025381 k( 245) = ( -0.3583308 0.6416692 0.0000000), wk = 0.0025381 k( 246) = ( -0.3515847 0.6484153 0.0000000), wk = 0.0025381 k( 247) = ( -0.3448385 0.6551615 -0.0000000), wk = 0.0025381 k( 248) = ( -0.3380924 0.6619076 -0.0000000), wk = 0.0025381 k( 249) = ( -0.3313462 0.6686538 0.0000000), wk = 0.0025381 k( 250) = ( -0.3246001 0.6753999 0.0000000), wk = 0.0025381 k( 251) = ( -0.3178539 0.6821461 0.0000000), wk = 0.0025381 k( 252) = ( -0.3111078 0.6888922 -0.0000000), wk = 0.0025381 k( 253) = ( -0.3043616 0.6956384 0.0000000), wk = 0.0025381 k( 254) = ( -0.2976155 0.7023845 0.0000000), wk = 0.0025381 k( 255) = ( -0.2908693 0.7091307 -0.0000000), wk = 0.0025381 k( 256) = ( -0.2841232 0.7158768 -0.0000000), wk = 0.0025381 k( 257) = ( -0.2841232 0.7158768 -0.0000000), wk = 0.0025381 k( 258) = ( -0.2841232 0.7158768 0.0135135), wk = 0.0025381 k( 259) = ( -0.2841232 0.7158768 0.0270270), wk = 0.0025381 k( 260) = ( -0.2841232 0.7158768 0.0405405), wk = 0.0025381 k( 261) = ( -0.2841232 0.7158768 0.0540541), wk = 0.0025381 k( 262) = ( -0.2841232 0.7158768 0.0675676), wk = 0.0025381 k( 263) = ( -0.2841232 0.7158768 0.0810811), wk = 0.0025381 k( 264) = ( -0.2841232 0.7158768 0.0945946), wk = 0.0025381 k( 265) = ( -0.2841232 0.7158768 0.1081081), wk = 0.0025381 k( 266) = ( -0.2841232 0.7158768 0.1216216), wk = 0.0025381 k( 267) = ( -0.2841232 0.7158768 0.1351351), wk = 0.0025381 k( 268) = ( -0.2841232 0.7158768 0.1486486), wk = 0.0025381 k( 269) = ( -0.2841232 0.7158768 0.1621622), wk = 0.0025381 k( 270) = ( -0.2841232 0.7158768 0.1756757), wk = 0.0025381 k( 271) = ( -0.2841232 0.7158768 0.1891892), wk = 0.0025381 k( 272) = ( -0.2841232 0.7158768 0.2027027), wk = 0.0025381 k( 273) = ( -0.2841232 0.7158768 0.2162162), wk = 0.0025381 k( 274) = ( -0.2841232 0.7158768 0.2297297), wk = 0.0025381 k( 275) = ( -0.2841232 0.7158768 0.2432432), wk = 0.0025381 k( 276) = ( -0.2841232 0.7158768 0.2567568), wk = 0.0025381 k( 277) = ( -0.2841232 0.7158768 0.2702703), wk = 0.0025381 k( 278) = ( -0.2841232 0.7158768 0.2837838), wk = 0.0025381 k( 279) = ( -0.2841232 0.7158768 0.2972973), wk = 0.0025381 k( 280) = ( -0.2841232 0.7158768 0.3108108), wk = 0.0025381 k( 281) = ( -0.2841232 0.7158768 0.3243243), wk = 0.0025381 k( 282) = ( -0.2841232 0.7158768 0.3378378), wk = 0.0025381 k( 283) = ( -0.2841232 0.7158768 0.3513514), wk = 0.0025381 k( 284) = ( -0.2841232 0.7158768 0.3648649), wk = 0.0025381 k( 285) = ( -0.2841232 0.7158768 0.3783784), wk = 0.0025381 k( 286) = ( -0.2841232 0.7158768 0.3918919), wk = 0.0025381 k( 287) = ( -0.2841232 0.7158768 0.4054054), wk = 0.0025381 k( 288) = ( -0.2841232 0.7158768 0.4189189), wk = 0.0025381 k( 289) = ( -0.2841232 0.7158768 0.4324324), wk = 0.0025381 k( 290) = ( -0.2841232 0.7158768 0.4459459), wk = 0.0025381 k( 291) = ( -0.2841232 0.7158768 0.4594595), wk = 0.0025381 k( 292) = ( -0.2841232 0.7158768 0.4729730), wk = 0.0025381 k( 293) = ( -0.2841232 0.7158768 0.4864865), wk = 0.0025381 k( 294) = ( -0.2841232 0.7158768 0.5000000), wk = 0.0025381 k( 295) = ( -0.2841232 0.7158768 0.5000000), wk = 0.0025381 k( 296) = ( -0.2908693 0.7091307 0.5000000), wk = 0.0025381 k( 297) = ( -0.2976155 0.7023845 0.5000000), wk = 0.0025381 k( 298) = ( -0.3043616 0.6956384 0.5000000), wk = 0.0025381 k( 299) = ( -0.3111078 0.6888922 0.5000000), wk = 0.0025381 k( 300) = ( -0.3178539 0.6821461 0.5000000), wk = 0.0025381 k( 301) = ( -0.3246001 0.6753999 0.5000000), wk = 0.0025381 k( 302) = ( -0.3313462 0.6686538 0.5000000), wk = 0.0025381 k( 303) = ( -0.3380924 0.6619076 0.5000000), wk = 0.0025381 k( 304) = ( -0.3448385 0.6551615 0.5000000), wk = 0.0025381 k( 305) = ( -0.3515847 0.6484153 0.5000000), wk = 0.0025381 k( 306) = ( -0.3583308 0.6416692 0.5000000), wk = 0.0025381 k( 307) = ( -0.3650770 0.6349230 0.5000000), wk = 0.0025381 k( 308) = ( -0.3718231 0.6281769 0.5000000), wk = 0.0025381 k( 309) = ( -0.3785693 0.6214307 0.5000000), wk = 0.0025381 k( 310) = ( -0.3853154 0.6146846 0.5000000), wk = 0.0025381 k( 311) = ( -0.3920616 0.6079384 0.5000000), wk = 0.0025381 k( 312) = ( -0.3988077 0.6011923 0.5000000), wk = 0.0025381 k( 313) = ( -0.4055539 0.5944461 0.5000000), wk = 0.0025381 k( 314) = ( -0.4123000 0.5877000 0.5000000), wk = 0.0025381 k( 315) = ( -0.4190462 0.5809538 0.5000000), wk = 0.0025381 k( 316) = ( -0.4257923 0.5742077 0.5000000), wk = 0.0025381 k( 317) = ( -0.4325385 0.5674615 0.5000000), wk = 0.0025381 k( 318) = ( -0.4392846 0.5607153 0.5000000), wk = 0.0025381 k( 319) = ( -0.4460308 0.5539692 0.5000000), wk = 0.0025381 k( 320) = ( -0.4527770 0.5472231 0.5000000), wk = 0.0025381 k( 321) = ( -0.4595231 0.5404769 0.5000000), wk = 0.0025381 k( 322) = ( -0.4662693 0.5337308 0.5000000), wk = 0.0025381 k( 323) = ( -0.4730154 0.5269846 0.5000000), wk = 0.0025381 k( 324) = ( -0.4797615 0.5202385 0.5000000), wk = 0.0025381 k( 325) = ( -0.4865077 0.5134923 0.5000000), wk = 0.0025381 k( 326) = ( -0.4932538 0.5067462 0.5000000), wk = 0.0025381 k( 327) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 328) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 329) = ( -0.5000000 0.5000000 0.4864865), wk = 0.0025381 k( 330) = ( -0.5000000 0.5000000 0.4729730), wk = 0.0025381 k( 331) = ( -0.5000000 0.5000000 0.4594595), wk = 0.0025381 k( 332) = ( -0.5000000 0.5000000 0.4459460), wk = 0.0025381 k( 333) = ( -0.5000000 0.5000000 0.4324324), wk = 0.0025381 k( 334) = ( -0.5000000 0.5000000 0.4189189), wk = 0.0025381 k( 335) = ( -0.5000000 0.5000000 0.4054054), wk = 0.0025381 k( 336) = ( -0.5000000 0.5000000 0.3918919), wk = 0.0025381 k( 337) = ( -0.5000000 0.5000000 0.3783784), wk = 0.0025381 k( 338) = ( -0.5000000 0.5000000 0.3648649), wk = 0.0025381 k( 339) = ( -0.5000000 0.5000000 0.3513514), wk = 0.0025381 k( 340) = ( -0.5000000 0.5000000 0.3378378), wk = 0.0025381 k( 341) = ( -0.5000000 0.5000000 0.3243243), wk = 0.0025381 k( 342) = ( -0.5000000 0.5000000 0.3108108), wk = 0.0025381 k( 343) = ( -0.5000000 0.5000000 0.2972973), wk = 0.0025381 k( 344) = ( -0.5000000 0.5000000 0.2837838), wk = 0.0025381 k( 345) = ( -0.5000000 0.5000000 0.2702703), wk = 0.0025381 k( 346) = ( -0.5000000 0.5000000 0.2567568), wk = 0.0025381 k( 347) = ( -0.5000000 0.5000000 0.2432432), wk = 0.0025381 k( 348) = ( -0.5000000 0.5000000 0.2297297), wk = 0.0025381 k( 349) = ( -0.5000000 0.5000000 0.2162162), wk = 0.0025381 k( 350) = ( -0.5000000 0.5000000 0.2027027), wk = 0.0025381 k( 351) = ( -0.5000000 0.5000000 0.1891892), wk = 0.0025381 k( 352) = ( -0.5000000 0.5000000 0.1756757), wk = 0.0025381 k( 353) = ( -0.5000000 0.5000000 0.1621622), wk = 0.0025381 k( 354) = ( -0.5000000 0.5000000 0.1486486), wk = 0.0025381 k( 355) = ( -0.5000000 0.5000000 0.1351351), wk = 0.0025381 k( 356) = ( -0.5000000 0.5000000 0.1216216), wk = 0.0025381 k( 357) = ( -0.5000000 0.5000000 0.1081081), wk = 0.0025381 k( 358) = ( -0.5000000 0.5000000 0.0945946), wk = 0.0025381 k( 359) = ( -0.5000000 0.5000000 0.0810811), wk = 0.0025381 k( 360) = ( -0.5000000 0.5000000 0.0675676), wk = 0.0025381 k( 361) = ( -0.5000000 0.5000000 0.0540541), wk = 0.0025381 k( 362) = ( -0.5000000 0.5000000 0.0405405), wk = 0.0025381 k( 363) = ( -0.5000000 0.5000000 0.0270270), wk = 0.0025381 k( 364) = ( -0.5000000 0.5000000 0.0135135), wk = 0.0025381 k( 365) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 366) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 367) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0025381 k( 368) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0025381 k( 369) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0025381 k( 370) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0025381 k( 371) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0025381 k( 372) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0025381 k( 373) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025381 k( 374) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0025381 k( 375) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0025381 k( 376) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0025381 k( 377) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0025381 k( 378) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0025381 k( 379) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0025381 k( 380) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025381 k( 381) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0025381 k( 382) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0025381 k( 383) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0025381 k( 384) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0025381 k( 385) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0025381 k( 386) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0025381 k( 387) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025381 k( 388) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0025381 k( 389) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0025381 k( 390) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0025381 k( 391) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0025381 k( 392) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0025381 k( 393) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0025381 k( 394) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025381 Dense grid: 48087 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 32387 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 188, 48) NL pseudopotentials 0.14 Mb ( 94, 96) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1003) G-vector shells 0.00 Mb ( 482) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 188, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.14 Mb ( 96, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SnSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.0 secs Computing kpt #: 2 total cpu time spent up to now is 43.8 secs Computing kpt #: 3 total cpu time spent up to now is 45.5 secs Computing kpt #: 4 total cpu time spent up to now is 47.2 secs Computing kpt #: 5 total cpu time spent up to now is 49.0 secs Computing kpt #: 6 total cpu time spent up to now is 50.6 secs Computing kpt #: 7 total cpu time spent up to now is 52.4 secs Computing kpt #: 8 total cpu time spent up to now is 54.5 secs Computing kpt #: 9 total cpu time spent up to now is 56.6 secs Computing kpt #: 10 total cpu time spent up to now is 59.1 secs Computing kpt #: 11 total cpu time spent up to now is 61.3 secs Computing kpt #: 12 total cpu time spent up to now is 62.9 secs Computing kpt #: 13 total cpu time spent up to now is 64.4 secs Computing kpt #: 14 total cpu time spent up to now is 66.5 secs Computing kpt #: 15 total cpu time spent up to now is 68.3 secs Computing kpt #: 16 total cpu time spent up to now is 69.7 secs Computing kpt #: 17 total cpu time spent up to now is 71.0 secs Computing kpt #: 18 total cpu time spent up to now is 72.2 secs Computing kpt #: 19 total cpu time spent up to now is 73.3 secs Computing kpt #: 20 total cpu time spent up to now is 74.6 secs Computing kpt #: 21 total cpu time spent up to now is 76.2 secs Computing kpt #: 22 total cpu time spent up to now is 78.0 secs Computing kpt #: 23 total cpu time spent up to now is 79.5 secs Computing kpt #: 24 total cpu time spent up to now is 80.6 secs Computing kpt #: 25 total cpu time spent up to now is 81.6 secs Computing kpt #: 26 total cpu time spent up to now is 82.8 secs Computing kpt #: 27 total cpu time spent up to now is 84.0 secs Computing kpt #: 28 total cpu time spent up to now is 85.5 secs Computing kpt #: 29 total cpu time spent up to now is 86.6 secs Computing kpt #: 30 total cpu time spent up to now is 87.8 secs Computing kpt #: 31 total cpu time spent up to now is 89.4 secs Computing kpt #: 32 total cpu time spent up to now is 90.8 secs Computing kpt #: 33 total cpu time spent up to now is 92.7 secs Computing kpt #: 34 total cpu time spent up to now is 94.4 secs Computing kpt #: 35 total cpu time spent up to now is 95.6 secs Computing kpt #: 36 total cpu time spent up to now is 96.7 secs Computing kpt #: 37 total cpu time spent up to now is 98.0 secs Computing kpt #: 38 total cpu time spent up to now is 99.3 secs Computing kpt #: 39 total cpu time spent up to now is 101.0 secs Computing kpt #: 40 total cpu time spent up to now is 102.5 secs Computing kpt #: 41 total cpu time spent up to now is 103.7 secs Computing kpt #: 42 total cpu time spent up to now is 104.9 secs Computing kpt #: 43 total cpu time spent up to now is 106.3 secs Computing kpt #: 44 total cpu time spent up to now is 107.4 secs Computing kpt #: 45 total cpu time spent up to now is 108.6 secs Computing kpt #: 46 total cpu time spent up to now is 109.8 secs Computing kpt #: 47 total cpu time spent up to now is 111.2 secs Computing kpt #: 48 total cpu time spent up to now is 112.7 secs Computing kpt #: 49 total cpu time spent up to now is 114.5 secs Computing kpt #: 50 total cpu time spent up to now is 115.8 secs Computing kpt #: 51 total cpu time spent up to now is 117.3 secs Computing kpt #: 52 total cpu time spent up to now is 118.5 secs Computing kpt #: 53 total cpu time spent up to now is 119.8 secs Computing kpt #: 54 total cpu time spent up to now is 121.0 secs Computing kpt #: 55 total cpu time spent up to now is 122.2 secs Computing kpt #: 56 total cpu time spent up to now is 123.4 secs Computing kpt #: 57 total cpu time spent up to now is 124.4 secs Computing kpt #: 58 total cpu time spent up to now is 125.5 secs Computing kpt #: 59 total cpu time spent up to now is 126.5 secs Computing kpt #: 60 total cpu time spent up to now is 127.6 secs Computing kpt #: 61 total cpu time spent up to now is 129.3 secs Computing kpt #: 62 total cpu time spent up to now is 130.6 secs Computing kpt #: 63 total cpu time spent up to now is 132.2 secs Computing kpt #: 64 total cpu time spent up to now is 133.7 secs Computing kpt #: 65 total cpu time spent up to now is 134.9 secs Computing kpt #: 66 total cpu time spent up to now is 136.1 secs Computing kpt #: 67 total cpu time spent up to now is 137.1 secs Computing kpt #: 68 total cpu time spent up to now is 138.2 secs Computing kpt #: 69 total cpu time spent up to now is 139.3 secs Computing kpt #: 70 total cpu time spent up to now is 140.4 secs Computing kpt #: 71 total cpu time spent up to now is 141.6 secs Computing kpt #: 72 total cpu time spent up to now is 142.8 secs Computing kpt #: 73 total cpu time spent up to now is 144.0 secs Computing kpt #: 74 total cpu time spent up to now is 145.2 secs Computing kpt #: 75 total cpu time spent up to now is 146.3 secs Computing kpt #: 76 total cpu time spent up to now is 147.5 secs Computing kpt #: 77 total cpu time spent up to now is 148.7 secs Computing kpt #: 78 total cpu time spent up to now is 149.9 secs Computing kpt #: 79 total cpu time spent up to now is 151.1 secs Computing kpt #: 80 total cpu time spent up to now is 152.3 secs Computing kpt #: 81 total cpu time spent up to now is 153.7 secs Computing kpt #: 82 total cpu time spent up to now is 154.9 secs Computing kpt #: 83 total cpu time spent up to now is 156.6 secs Computing kpt #: 84 total cpu time spent up to now is 158.1 secs Computing kpt #: 85 total cpu time spent up to now is 159.4 secs Computing kpt #: 86 total cpu time spent up to now is 161.2 secs Computing kpt #: 87 total cpu time spent up to now is 162.8 secs Computing kpt #: 88 total cpu time spent up to now is 164.2 secs Computing kpt #: 89 total cpu time spent up to now is 165.4 secs Computing kpt #: 90 total cpu time spent up to now is 166.6 secs Computing kpt #: 91 total cpu time spent up to now is 167.8 secs Computing kpt #: 92 total cpu time spent up to now is 169.2 secs Computing kpt #: 93 total cpu time spent up to now is 170.5 secs Computing kpt #: 94 total cpu time spent up to now is 171.7 secs Computing kpt #: 95 total cpu time spent up to now is 172.9 secs Computing kpt #: 96 total cpu time spent up to now is 174.2 secs Computing kpt #: 97 total cpu time spent up to now is 175.5 secs Computing kpt #: 98 total cpu time spent up to now is 177.0 secs Computing kpt #: 99 total cpu time spent up to now is 178.8 secs Computing kpt #: 100 total cpu time spent up to now is 180.1 secs Computing kpt #: 101 total cpu time spent up to now is 181.3 secs Computing kpt #: 102 total cpu time spent up to now is 182.5 secs Computing kpt #: 103 total cpu time spent up to now is 183.8 secs Computing kpt #: 104 total cpu time spent up to now is 185.1 secs Computing kpt #: 105 total cpu time spent up to now is 186.5 secs Computing kpt #: 106 total cpu time spent up to now is 187.9 secs Computing kpt #: 107 total cpu time spent up to now is 189.1 secs Computing kpt #: 108 total cpu time spent up to now is 190.3 secs Computing kpt #: 109 total cpu time spent up to now is 191.8 secs Computing kpt #: 110 total cpu time spent up to now is 193.3 secs Computing kpt #: 111 total cpu time spent up to now is 194.7 secs Computing kpt #: 112 total cpu time spent up to now is 196.1 secs Computing kpt #: 113 total cpu time spent up to now is 197.5 secs Computing kpt #: 114 total cpu time 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to now is 222.3 secs Computing kpt #: 130 total cpu time spent up to now is 223.5 secs Computing kpt #: 131 total cpu time spent up to now is 224.8 secs Computing kpt #: 132 total cpu time spent up to now is 226.2 secs Computing kpt #: 133 total cpu time spent up to now is 227.7 secs Computing kpt #: 134 total cpu time spent up to now is 229.2 secs Computing kpt #: 135 total cpu time spent up to now is 230.8 secs Computing kpt #: 136 total cpu time spent up to now is 232.1 secs Computing kpt #: 137 total cpu time spent up to now is 233.6 secs Computing kpt #: 138 total cpu time spent up to now is 234.9 secs Computing kpt #: 139 total cpu time spent up to now is 236.1 secs Computing kpt #: 140 total cpu time spent up to now is 237.3 secs Computing kpt #: 141 total cpu time spent up to now is 238.3 secs Computing kpt #: 142 total cpu time spent up to now is 239.3 secs Computing kpt #: 143 total cpu time spent up to now is 240.3 secs Computing kpt #: 144 total cpu time spent up to now is 241.3 secs Computing kpt #: 145 total cpu time spent up to now is 242.6 secs Computing kpt #: 146 total cpu time spent up to now is 243.6 secs Computing kpt #: 147 total cpu time spent up to now is 245.0 secs Computing kpt #: 148 total cpu time spent up to now is 246.7 secs Computing kpt #: 149 total cpu time spent up to now is 248.1 secs Computing kpt #: 150 total cpu time spent up to now is 249.3 secs Computing kpt #: 151 total cpu time spent up to now is 250.4 secs Computing kpt #: 152 total cpu time spent up to now is 251.3 secs Computing kpt #: 153 total cpu time spent up to now is 252.2 secs Computing kpt #: 154 total cpu time spent up to now is 253.2 secs Computing kpt #: 155 total cpu time spent up to now is 254.1 secs Computing kpt #: 156 total cpu time spent up to now is 255.1 secs Computing kpt #: 157 total cpu time spent up to now is 256.4 secs Computing kpt #: 158 total cpu time spent up to now is 257.5 secs Computing kpt #: 159 total cpu time spent up to now is 258.4 secs Computing kpt #: 160 total cpu time spent up to now is 259.4 secs Computing kpt #: 161 total cpu time spent up to now is 260.3 secs Computing kpt #: 162 total cpu time spent up to now is 261.2 secs Computing kpt #: 163 total cpu time spent up to now is 262.7 secs Computing kpt #: 164 total cpu time spent up to now is 264.1 secs Computing kpt #: 165 total cpu time spent up to now is 265.5 secs Computing kpt #: 166 total cpu time spent up to now is 267.1 secs Computing kpt #: 167 total cpu time spent up to now is 268.2 secs Computing kpt #: 168 total cpu time spent up to now is 269.2 secs Computing kpt #: 169 total cpu time spent up to now is 270.1 secs Computing kpt #: 170 total cpu time spent up to now is 271.1 secs Computing kpt #: 171 total cpu time spent up to now is 272.1 secs Computing kpt #: 172 total cpu time spent up to now is 273.1 secs Computing kpt #: 173 total cpu time spent up to now is 274.2 secs Computing kpt #: 174 total cpu time spent up to now is 275.3 secs Computing kpt #: 175 total cpu time spent up to now is 276.4 secs Computing kpt #: 176 total cpu time spent up to now is 277.5 secs Computing kpt #: 177 total cpu time spent up to now is 278.6 secs Computing kpt #: 178 total cpu time spent up to now is 279.8 secs Computing kpt #: 179 total cpu time spent up to now is 281.1 secs Computing kpt #: 180 total cpu time spent up to now is 282.4 secs Computing kpt #: 181 total cpu time spent up to now is 283.6 secs Computing kpt #: 182 total cpu time spent up to now is 285.0 secs Computing kpt #: 183 total cpu time spent up to now is 286.5 secs Computing kpt #: 184 total cpu time spent up to now is 288.3 secs Computing kpt #: 185 total cpu time spent up to now is 290.1 secs Computing kpt #: 186 total cpu time spent up to now is 291.9 secs Computing kpt #: 187 total cpu time spent up to now is 293.8 secs Computing kpt #: 188 total cpu time spent up to now is 295.7 secs Computing kpt #: 189 total cpu time spent up to now is 297.8 secs Computing kpt #: 190 total cpu time spent up to now is 299.8 secs Computing kpt #: 191 total cpu time spent up to now is 301.7 secs Computing kpt #: 192 total cpu time spent up to now is 303.5 secs Computing kpt #: 193 total cpu time spent up to now is 305.4 secs Computing kpt #: 194 total cpu time spent up to now is 307.4 secs Computing kpt #: 195 total cpu time spent up to now is 309.1 secs Computing kpt #: 196 total cpu time spent up to now is 310.9 secs Computing kpt #: 197 total cpu time spent up to now is 313.1 secs Computing kpt #: 198 total cpu time spent up to now is 314.5 secs Computing kpt #: 199 total cpu time spent up to now is 315.9 secs Computing kpt #: 200 total cpu time spent up to now is 317.2 secs Computing kpt #: 201 total cpu time spent up to now is 318.6 secs Computing kpt #: 202 total cpu time spent up to now is 320.0 secs Computing kpt #: 203 total cpu time spent up to now is 321.4 secs Computing kpt #: 204 total cpu time spent up to now is 322.9 secs Computing kpt #: 205 total cpu time spent up to now is 324.4 secs Computing kpt #: 206 total cpu time spent up to now is 325.6 secs Computing kpt #: 207 total cpu time spent up to now is 326.8 secs Computing kpt #: 208 total cpu time spent up to now is 328.0 secs Computing kpt #: 209 total cpu time spent up to now is 329.3 secs Computing kpt #: 210 total cpu time spent up to now is 331.0 secs Computing kpt #: 211 total cpu time spent up to now is 332.5 secs Computing kpt #: 212 total cpu time spent up to now is 334.0 secs Computing kpt #: 213 total cpu time spent up to now is 335.8 secs Computing kpt #: 214 total cpu time spent up to now is 337.3 secs Computing kpt #: 215 total cpu time spent up to now is 338.5 secs Computing kpt #: 216 total cpu time spent up to now is 339.8 secs Computing kpt #: 217 total cpu time spent up to now is 341.2 secs Computing kpt #: 218 total cpu time spent up to now is 342.9 secs Computing kpt #: 219 total cpu time spent up to now is 345.3 secs Computing kpt #: 220 total cpu time spent up to now is 347.2 secs Computing kpt #: 221 total cpu time spent up to now is 348.8 secs Computing kpt #: 222 total cpu time spent up to now is 350.4 secs Computing kpt #: 223 total cpu time spent up to now is 351.9 secs Computing kpt #: 224 total cpu time spent up to now is 353.5 secs Computing kpt #: 225 total cpu time spent up to now is 355.0 secs Computing kpt #: 226 total cpu time spent up to now is 356.6 secs Computing kpt #: 227 total cpu time spent up to now is 358.4 secs Computing kpt #: 228 total cpu time spent up to now is 360.2 secs Computing kpt #: 229 total cpu time spent up to now is 361.8 secs Computing kpt #: 230 total cpu time spent up to now is 363.3 secs Computing kpt #: 231 total cpu time spent up to now is 364.8 secs Computing kpt #: 232 total cpu time spent up to now is 366.3 secs Computing kpt #: 233 total cpu time spent up to now is 367.9 secs Computing kpt #: 234 total cpu time spent up to now is 369.3 secs Computing kpt #: 235 total cpu time spent up to now is 370.8 secs Computing kpt #: 236 total cpu time spent up to now is 372.1 secs Computing kpt #: 237 total cpu time spent up to now is 373.5 secs Computing kpt #: 238 total cpu time spent up to now is 375.5 secs Computing kpt #: 239 total cpu time spent up to now is 377.4 secs Computing kpt #: 240 total cpu time spent up to now is 378.6 secs Computing kpt #: 241 total cpu time spent up to now is 379.8 secs Computing kpt #: 242 total cpu time spent up to now is 381.0 secs Computing kpt #: 243 total cpu time spent up to now is 382.5 secs Computing kpt #: 244 total cpu time spent up to now is 384.0 secs Computing kpt #: 245 total cpu time spent up to now is 385.2 secs Computing kpt #: 246 total cpu time spent up to now is 386.3 secs Computing kpt #: 247 total cpu time spent up to now is 387.4 secs Computing kpt #: 248 total cpu time spent up to now is 388.6 secs Computing kpt #: 249 total cpu time spent up to now is 389.7 secs Computing kpt #: 250 total cpu time spent up to now is 391.0 secs Computing kpt #: 251 total cpu time spent up to now is 392.2 secs Computing kpt #: 252 total cpu time spent up to now is 393.7 secs Computing kpt #: 253 total cpu time spent up to now is 395.5 secs Computing kpt #: 254 total cpu time spent up to now is 396.5 secs Computing kpt #: 255 total cpu time spent up to now is 397.5 secs Computing kpt #: 256 total cpu time spent up to now is 398.6 secs Computing kpt #: 257 total cpu time spent up to now is 399.6 secs Computing kpt #: 258 total cpu time spent up to now is 400.9 secs Computing kpt #: 259 total cpu time spent up to now is 402.1 secs Computing kpt #: 260 total cpu time spent up to now is 403.3 secs Computing kpt #: 261 total cpu time spent up to now is 404.4 secs Computing kpt #: 262 total cpu time spent up to now is 405.6 secs Computing kpt #: 263 total cpu time spent up to now is 406.6 secs Computing kpt #: 264 total cpu time spent up to now is 407.6 secs Computing kpt #: 265 total cpu time spent up to now is 410.1 secs Computing kpt #: 266 total cpu time spent up to now is 411.1 secs Computing kpt #: 267 total cpu time spent up to now is 412.3 secs Computing kpt #: 268 total cpu time spent up to now is 413.6 secs Computing kpt #: 269 total cpu time spent up to now is 414.8 secs Computing kpt #: 270 total cpu time spent up to now is 415.8 secs Computing kpt #: 271 total cpu time spent up to now is 416.8 secs Computing kpt #: 272 total cpu time spent up to now is 417.8 secs Computing kpt #: 273 total cpu time spent up to now is 418.8 secs Computing kpt #: 274 total cpu time spent up to now is 420.4 secs Computing kpt #: 275 total cpu time spent up to now is 422.0 secs Computing kpt #: 276 total cpu time spent up to now is 423.1 secs Computing kpt #: 277 total cpu time spent up to now is 424.2 secs Computing kpt #: 278 total cpu time spent up to now is 425.4 secs Computing kpt #: 279 total cpu time spent up to now is 426.5 secs Computing kpt #: 280 total cpu time spent up to now is 428.0 secs Computing kpt #: 281 total cpu time spent up to now is 429.2 secs Computing kpt #: 282 total cpu time spent up to now is 430.6 secs Computing kpt #: 283 total cpu time spent up to now is 432.0 secs Computing kpt #: 284 total cpu time spent up to now is 433.6 secs Computing kpt #: 285 total cpu time spent up to now is 435.4 secs Computing kpt #: 286 total cpu time spent up to now is 437.4 secs Computing kpt #: 287 total cpu time spent up to now is 438.9 secs Computing kpt #: 288 total cpu time spent up to now is 440.3 secs Computing kpt #: 289 total cpu time spent up to now is 441.8 secs Computing kpt #: 290 total cpu time spent up to now is 443.3 secs Computing kpt #: 291 total cpu time spent up to now is 445.0 secs Computing kpt #: 292 total cpu time spent up to now is 446.4 secs Computing kpt #: 293 total cpu time spent up to now is 447.8 secs Computing kpt #: 294 total cpu time spent up to now is 449.2 secs Computing kpt #: 295 total cpu time spent up to now is 450.6 secs Computing kpt #: 296 total cpu time spent up to now is 452.1 secs Computing kpt #: 297 total cpu time spent up to now is 453.8 secs Computing kpt #: 298 total cpu time spent up to now is 455.3 secs Computing kpt #: 299 total cpu time spent up to now is 456.9 secs Computing kpt #: 300 total cpu time spent up to now is 458.5 secs Computing kpt #: 301 total cpu time spent up to now is 460.0 secs Computing kpt #: 302 total cpu time spent up to now is 461.3 secs Computing kpt #: 303 total cpu time spent up to now is 462.5 secs Computing kpt #: 304 total cpu time spent up to now is 464.1 secs Computing kpt #: 305 total cpu time spent up to now is 466.3 secs Computing kpt #: 306 total cpu time spent up to now is 467.6 secs Computing kpt #: 307 total cpu time spent up to now is 468.8 secs Computing kpt #: 308 total cpu time spent up to now is 470.0 secs Computing kpt #: 309 total cpu time spent up to now is 471.3 secs Computing kpt #: 310 total cpu time spent up to now is 472.5 secs Computing kpt #: 311 total cpu time spent up to now is 473.9 secs Computing kpt #: 312 total cpu time spent up to now is 475.4 secs Computing kpt #: 313 total cpu time spent up to now is 476.7 secs Computing kpt #: 314 total cpu time spent up to now is 477.9 secs Computing kpt #: 315 total cpu time spent up to now is 479.2 secs Computing kpt #: 316 total cpu time spent up to now is 480.5 secs Computing kpt #: 317 total cpu time spent up to now is 481.9 secs Computing kpt #: 318 total cpu time spent up to now is 483.3 secs Computing kpt #: 319 total cpu time spent up to now is 484.6 secs Computing kpt #: 320 total cpu time spent up to now is 485.9 secs Computing kpt #: 321 total cpu time spent up to now is 487.2 secs Computing kpt #: 322 total cpu time spent up to now is 488.4 secs Computing kpt #: 323 total cpu time spent up to now is 489.7 secs Computing kpt #: 324 total cpu time spent up to now is 490.9 secs Computing kpt #: 325 total cpu time spent up to now is 492.1 secs Computing kpt #: 326 total cpu time spent up to now is 493.5 secs Computing kpt #: 327 total cpu time spent up to now is 495.0 secs Computing kpt #: 328 total cpu time spent up to now is 496.4 secs Computing kpt #: 329 total cpu time spent up to now is 497.6 secs Computing kpt #: 330 total cpu time spent up to now is 498.8 secs Computing kpt #: 331 total cpu time spent up to now is 500.0 secs Computing kpt #: 332 total cpu time spent up to now is 501.4 secs Computing kpt #: 333 total cpu time spent up to now is 502.6 secs Computing kpt #: 334 total cpu time spent up to now is 504.5 secs Computing kpt #: 335 total cpu time spent up to now is 506.2 secs Computing kpt #: 336 total cpu time spent up to now is 507.4 secs Computing kpt #: 337 total cpu time spent up to now is 508.6 secs Computing kpt #: 338 total cpu time spent up to now is 509.8 secs Computing kpt #: 339 total cpu time spent up to now is 511.0 secs Computing kpt #: 340 total cpu time spent up to now is 512.2 secs Computing kpt #: 341 total cpu time spent up to now is 513.5 secs Computing kpt #: 342 total cpu time spent up to now is 514.9 secs Computing kpt #: 343 total cpu time spent up to now is 516.2 secs Computing kpt #: 344 total cpu time spent up to now is 517.4 secs Computing kpt #: 345 total cpu time spent up to now is 518.6 secs Computing kpt #: 346 total cpu time spent up to now is 519.9 secs Computing kpt #: 347 total cpu time spent up to now is 521.5 secs Computing kpt #: 348 total cpu time spent up to now is 523.1 secs Computing kpt #: 349 total cpu time spent up to now is 524.7 secs Computing kpt #: 350 total cpu time spent up to now is 526.6 secs Computing kpt #: 351 total cpu time spent up to now is 528.3 secs Computing kpt #: 352 total cpu time spent up to now is 530.0 secs Computing kpt #: 353 total cpu time spent up to now is 531.6 secs Computing kpt #: 354 total cpu time spent up to now is 533.3 secs Computing kpt #: 355 total cpu time spent up to now is 535.0 secs Computing kpt #: 356 total cpu time spent up to now is 536.9 secs Computing kpt #: 357 total cpu time spent up to now is 538.6 secs Computing kpt #: 358 total cpu time spent up to now is 540.1 secs Computing kpt #: 359 total cpu time spent up to now is 541.5 secs Computing kpt #: 360 total cpu time spent up to now is 543.0 secs Computing kpt #: 361 total cpu time spent up to now is 544.6 secs Computing kpt #: 362 total cpu time spent up to now is 546.3 secs Computing kpt #: 363 total cpu time spent up to now is 548.0 secs Computing kpt #: 364 total cpu time spent up to now is 549.6 secs Computing kpt #: 365 total cpu time spent up to now is 551.1 secs Computing kpt #: 366 total cpu time spent up to now is 552.1 secs Computing kpt #: 367 total cpu time spent up to now is 553.3 secs Computing kpt #: 368 total cpu time spent up to now is 554.3 secs Computing kpt #: 369 total cpu time spent up to now is 555.4 secs Computing kpt #: 370 total cpu time spent up to now is 556.5 secs Computing kpt #: 371 total cpu time spent up to now is 557.5 secs Computing kpt #: 372 total cpu time spent up to now is 558.4 secs Computing kpt #: 373 total cpu time spent up to now is 559.4 secs Computing kpt #: 374 total cpu time spent up to now is 560.3 secs Computing kpt #: 375 total cpu time spent up to now is 561.3 secs Computing kpt #: 376 total cpu time spent up to now is 562.3 secs Computing kpt #: 377 total cpu time spent up to now is 563.4 secs Computing kpt #: 378 total cpu time spent up to now is 564.5 secs Computing kpt #: 379 total cpu time spent up to now is 565.6 secs Computing kpt #: 380 total cpu time spent up to now is 566.6 secs Computing kpt #: 381 total cpu time spent up to now is 567.6 secs Computing kpt #: 382 total cpu time spent up to now is 568.7 secs Computing kpt #: 383 total cpu time spent up to now is 569.8 secs Computing kpt #: 384 total cpu time spent up to now is 571.5 secs Computing kpt #: 385 total cpu time spent up to now is 572.5 secs Computing kpt #: 386 total cpu time spent up to now is 573.6 secs Computing kpt #: 387 total cpu time spent up to now is 574.7 secs Computing kpt #: 388 total cpu time spent up to now is 575.8 secs Computing kpt #: 389 total cpu time spent up to now is 577.0 secs Computing kpt #: 390 total cpu time spent up to now is 578.4 secs Computing kpt #: 391 total cpu time spent up to now is 579.6 secs Computing kpt #: 392 total cpu time spent up to now is 580.8 secs Computing kpt #: 393 total cpu time spent up to now is 582.0 secs Computing kpt #: 394 total cpu time spent up to now is 583.2 secs ethr = 2.50E-11, avg # of iterations = 26.1 total cpu time spent up to now is 583.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4013 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9436 -12.9436 -12.9193 -12.9193 -12.9114 -12.9114 -12.9011 -12.9011 -12.8886 -12.8886 -5.7199 -5.7199 -4.1775 -4.1775 1.9829 1.9829 2.5949 2.5949 3.0765 3.0765 4.4690 4.4690 4.9536 4.9536 5.6765 5.6765 6.4228 6.4228 7.4301 7.4301 11.5326 11.5326 11.7843 11.7843 11.9699 11.9699 12.4837 12.4837 k = 0.0068 0.0183-0.0000 ( 4003 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9435 -12.9435 -12.9193 -12.9193 -12.9114 -12.9114 -12.9011 -12.9011 -12.8886 -12.8886 -5.7190 -5.7190 -4.1775 -4.1775 1.9799 1.9799 2.5908 2.5908 3.0753 3.0753 4.4705 4.4705 4.9563 4.9563 5.6830 5.6830 6.4239 6.4239 7.4298 7.4298 11.5338 11.5338 11.7415 11.7415 12.0088 12.0088 12.4776 12.4776 k = 0.0135 0.0366-0.0000 ( 4003 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9435 -12.9435 -12.9193 -12.9193 -12.9114 -12.9114 -12.9011 -12.9011 -12.8886 -12.8886 -5.7163 -5.7163 -4.1777 -4.1777 1.9712 1.9712 2.5784 2.5784 3.0721 3.0721 4.4753 4.4753 4.9643 4.9643 5.7022 5.7022 6.4272 6.4272 7.4290 7.4290 11.5301 11.5301 11.6660 11.6660 12.0795 12.0795 12.4596 12.4596 k = 0.0203 0.0549-0.0000 ( 4009 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9435 -12.9435 -12.9193 -12.9193 -12.9113 -12.9113 -12.9011 -12.9011 -12.8886 -12.8886 -5.7119 -5.7119 -4.1779 -4.1779 1.9569 1.9569 2.5571 2.5571 3.0679 3.0679 4.4831 4.4831 4.9775 4.9775 5.7336 5.7336 6.4328 6.4328 7.4277 7.4277 11.4840 11.4840 11.6265 11.6265 12.1478 12.1478 12.4298 12.4298 k = 0.0271 0.0732-0.0000 ( 4013 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9347 -13.9347 -12.9447 -12.9447 -12.9435 -12.9435 -12.9193 -12.9193 -12.9112 -12.9112 -12.9011 -12.9011 -12.8887 -12.8887 -5.7056 -5.7056 -4.1782 -4.1782 1.9372 1.9372 2.5265 2.5265 3.0641 3.0641 4.4940 4.4940 4.9957 4.9957 5.7762 5.7762 6.4407 6.4407 7.4258 7.4258 11.3866 11.3866 11.6391 11.6391 12.2007 12.2007 12.3886 12.3886 k = 0.0338 0.0916-0.0000 ( 4023 PWs) bands (ev): -13.9724 -13.9724 -13.9683 -13.9683 -13.9418 -13.9418 -13.9347 -13.9347 -12.9447 -12.9447 -12.9434 -12.9434 -12.9193 -12.9193 -12.9111 -12.9111 -12.9011 -12.9011 -12.8887 -12.8887 -5.6976 -5.6976 -4.1787 -4.1787 1.9125 1.9125 2.4861 2.4861 3.0622 3.0622 4.5079 4.5079 5.0188 5.0188 5.8287 5.8287 6.4510 6.4510 7.4233 7.4233 11.2716 11.2716 11.6720 11.6720 12.2265 12.2265 12.3362 12.3362 k = 0.0406 0.1099-0.0000 ( 4031 PWs) bands (ev): -13.9724 -13.9724 -13.9683 -13.9683 -13.9418 -13.9418 -13.9347 -13.9347 -12.9447 -12.9447 -12.9434 -12.9434 -12.9193 -12.9193 -12.9110 -12.9110 -12.9011 -12.9011 -12.8888 -12.8888 -5.6879 -5.6879 -4.1794 -4.1794 1.8833 1.8833 2.4361 2.4361 3.0634 3.0634 4.5247 4.5247 5.0466 5.0466 5.8897 5.8897 6.4639 6.4639 7.4203 7.4203 11.1493 11.1493 11.7149 11.7149 12.2160 12.2160 12.2728 12.2728 k = 0.0474 0.1282-0.0000 ( 4035 PWs) bands (ev): -13.9724 -13.9724 -13.9683 -13.9683 -13.9417 -13.9417 -13.9346 -13.9346 -12.9447 -12.9447 -12.9433 -12.9433 -12.9193 -12.9193 -12.9108 -12.9108 -12.9011 -12.9011 -12.8888 -12.8888 -5.6764 -5.6764 -4.1803 -4.1803 1.8501 1.8501 2.3770 2.3770 3.0682 3.0682 4.5444 4.5444 5.0787 5.0787 5.9577 5.9577 6.4796 6.4796 7.4167 7.4167 11.0228 11.0228 11.7634 11.7634 12.1734 12.1734 12.1979 12.1979 k = 0.0541 0.1465-0.0000 ( 4039 PWs) bands (ev): -13.9724 -13.9724 -13.9683 -13.9683 -13.9417 -13.9417 -13.9345 -13.9345 -12.9447 -12.9447 -12.9432 -12.9432 -12.9192 -12.9192 -12.9106 -12.9106 -12.9011 -12.9011 -12.8889 -12.8889 -5.6633 -5.6633 -4.1814 -4.1814 1.8133 1.8133 2.3097 2.3097 3.0771 3.0771 4.5669 4.5669 5.1148 5.1148 6.0308 6.0308 6.4985 6.4985 7.4125 7.4125 10.8933 10.8933 11.8119 11.8119 12.1095 12.1095 12.1158 12.1158 k = 0.0609 0.1648-0.0000 ( 4055 PWs) bands (ev): -13.9723 -13.9723 -13.9683 -13.9683 -13.9417 -13.9417 -13.9345 -13.9345 -12.9448 -12.9448 -12.9431 -12.9431 -12.9192 -12.9192 -12.9104 -12.9104 -12.9011 -12.9011 -12.8890 -12.8890 -5.6484 -5.6484 -4.1828 -4.1828 1.7735 1.7735 2.2353 2.2353 3.0900 3.0900 4.5922 4.5922 5.1547 5.1547 6.1073 6.1073 6.5215 6.5215 7.4077 7.4077 10.7617 10.7617 11.8459 11.8459 12.0154 12.0154 12.0565 12.0565 k = 0.0676 0.1831-0.0000 ( 4049 PWs) bands (ev): -13.9723 -13.9723 -13.9683 -13.9683 -13.9416 -13.9416 -13.9344 -13.9344 -12.9448 -12.9448 -12.9431 -12.9431 -12.9192 -12.9192 -12.9102 -12.9102 -12.9012 -12.9012 -12.8891 -12.8891 -5.6319 -5.6319 -4.1846 -4.1846 1.7314 1.7314 2.1550 2.1550 3.1067 3.1067 4.6202 4.6202 5.1981 5.1981 6.1846 6.1846 6.5497 6.5497 7.4024 7.4024 10.6286 10.6286 11.8321 11.8321 11.9127 11.9127 12.0324 12.0324 k = 0.0744 0.2014-0.0000 ( 4047 PWs) bands (ev): -13.9722 -13.9722 -13.9683 -13.9683 -13.9416 -13.9416 -13.9343 -13.9343 -12.9448 -12.9448 -12.9430 -12.9430 -12.9191 -12.9191 -12.9099 -12.9099 -12.9012 -12.9012 -12.8891 -12.8891 -5.6138 -5.6138 -4.1868 -4.1868 1.6874 1.6874 2.0699 2.0699 3.1271 3.1271 4.6508 4.6508 5.2446 5.2446 6.2597 6.2597 6.5851 6.5851 7.3964 7.3964 10.4944 10.4944 11.7626 11.7626 11.8050 11.8050 12.0394 12.0394 k = 0.0812 0.2197-0.0000 ( 4047 PWs) bands (ev): -13.9722 -13.9722 -13.9683 -13.9683 -13.9415 -13.9415 -13.9342 -13.9342 -12.9448 -12.9448 -12.9429 -12.9429 -12.9191 -12.9191 -12.9097 -12.9097 -12.9012 -12.9012 -12.8892 -12.8892 -5.5941 -5.5941 -4.1895 -4.1895 1.6421 1.6421 1.9810 1.9810 3.1508 3.1508 4.6840 4.6840 5.2940 5.2940 6.3291 6.3291 6.6303 6.6303 7.3900 7.3900 10.3595 10.3595 11.6674 11.6674 11.6942 11.6942 12.0300 12.0300 k = 0.0879 0.2380-0.0000 ( 4039 PWs) bands (ev): -13.9721 -13.9721 -13.9683 -13.9683 -13.9415 -13.9415 -13.9341 -13.9341 -12.9448 -12.9448 -12.9428 -12.9428 -12.9191 -12.9191 -12.9094 -12.9094 -12.9012 -12.9012 -12.8893 -12.8893 -5.5729 -5.5729 -4.1928 -4.1928 1.5960 1.5960 1.8893 1.8893 3.1778 3.1778 4.7197 4.7197 5.3461 5.3461 6.3895 6.3895 6.6877 6.6877 7.3831 7.3831 10.2245 10.2245 11.5607 11.5607 11.5822 11.5822 11.9806 11.9806 k = 0.0947 0.2563-0.0000 ( 4043 PWs) bands (ev): -13.9721 -13.9721 -13.9683 -13.9683 -13.9415 -13.9415 -13.9341 -13.9341 -12.9449 -12.9449 -12.9427 -12.9427 -12.9190 -12.9190 -12.9091 -12.9091 -12.9013 -12.9013 -12.8894 -12.8894 -5.5502 -5.5502 -4.1966 -4.1966 1.5496 1.5496 1.7955 1.7955 3.2078 3.2078 4.7579 4.7579 5.4006 5.4006 6.4395 6.4395 6.7575 6.7575 7.3760 7.3760 10.0895 10.0895 11.4474 11.4474 11.4702 11.4702 11.8981 11.8981 k = 0.1015 0.2747-0.0000 ( 4039 PWs) bands (ev): -13.9720 -13.9720 -13.9683 -13.9683 -13.9414 -13.9414 -13.9340 -13.9340 -12.9449 -12.9449 -12.9426 -12.9426 -12.9190 -12.9190 -12.9088 -12.9088 -12.9013 -12.9013 -12.8895 -12.8895 -5.5260 -5.5260 -4.2012 -4.2012 1.5034 1.5034 1.7003 1.7003 3.2407 3.2407 4.7985 4.7985 5.4572 5.4572 6.4804 6.4804 6.8377 6.8377 7.3690 7.3690 9.9551 9.9551 11.3299 11.3299 11.3589 11.3589 11.7961 11.7961 k = 0.1082 0.2930-0.0000 ( 4037 PWs) bands (ev): -13.9720 -13.9720 -13.9684 -13.9684 -13.9414 -13.9414 -13.9339 -13.9339 -12.9449 -12.9449 -12.9425 -12.9425 -12.9189 -12.9189 -12.9085 -12.9085 -12.9013 -12.9013 -12.8897 -12.8897 -5.5005 -5.5005 -4.2066 -4.2066 1.4579 1.4579 1.6044 1.6044 3.2764 3.2764 4.8415 4.8415 5.5157 5.5157 6.5143 6.5143 6.9245 6.9245 7.3627 7.3627 9.8215 9.8215 11.2100 11.2100 11.2491 11.2491 11.6836 11.6836 k = 0.1150 0.3113-0.0000 ( 4037 PWs) bands (ev): -13.9719 -13.9719 -13.9684 -13.9684 -13.9413 -13.9413 -13.9337 -13.9337 -12.9450 -12.9450 -12.9424 -12.9424 -12.9188 -12.9188 -12.9082 -12.9082 -12.9013 -12.9013 -12.8898 -12.8898 -5.4737 -5.4737 -4.2129 -4.2129 1.4132 1.4132 1.5083 1.5083 3.3146 3.3146 4.8869 4.8869 5.5760 5.5760 6.5432 6.5432 7.0140 7.0140 7.3584 7.3584 9.6890 9.6890 11.0883 11.0883 11.1416 11.1416 11.5653 11.5653 k = 0.1218 0.3296-0.0000 ( 4031 PWs) bands (ev): -13.9719 -13.9719 -13.9684 -13.9684 -13.9413 -13.9413 -13.9336 -13.9336 -12.9450 -12.9450 -12.9423 -12.9423 -12.9187 -12.9187 -12.9079 -12.9079 -12.9014 -12.9014 -12.8899 -12.8899 -5.4456 -5.4456 -4.2200 -4.2200 1.3695 1.3695 1.4130 1.4130 3.3554 3.3554 4.9344 4.9344 5.6377 5.6377 6.5686 6.5686 7.1010 7.1010 7.3594 7.3594 9.5580 9.5580 10.9656 10.9656 11.0372 11.0372 11.4437 11.4437 k = 0.1285 0.3479-0.0000 ( 4033 PWs) bands (ev): -13.9718 -13.9718 -13.9684 -13.9684 -13.9412 -13.9412 -13.9335 -13.9335 -12.9450 -12.9450 -12.9422 -12.9422 -12.9187 -12.9187 -12.9076 -12.9076 -12.9014 -12.9014 -12.8900 -12.8900 -5.4163 -5.4163 -4.2282 -4.2282 1.3124 1.3124 1.3336 1.3336 3.3987 3.3987 4.9842 4.9842 5.7008 5.7008 6.5911 6.5911 7.1755 7.1755 7.3743 7.3743 9.4290 9.4290 10.8425 10.8425 10.9368 10.9368 11.3205 11.3205 k = 0.1353 0.3662-0.0000 ( 4039 PWs) bands (ev): -13.9717 -13.9717 -13.9684 -13.9684 -13.9412 -13.9412 -13.9334 -13.9334 -12.9451 -12.9451 -12.9421 -12.9421 -12.9186 -12.9186 -12.9073 -12.9073 -12.9015 -12.9015 -12.8901 -12.8901 -5.3860 -5.3860 -4.2375 -4.2375 1.2206 1.2206 1.2921 1.2921 3.4442 3.4442 5.0360 5.0360 5.7648 5.7648 6.6110 6.6110 7.2218 7.2218 7.4178 7.4178 9.3024 9.3024 10.7195 10.7195 10.8409 10.8409 11.1965 11.1965 k = 0.1421 0.3845-0.0000 ( 4027 PWs) bands (ev): -13.9717 -13.9717 -13.9684 -13.9684 -13.9411 -13.9411 -13.9333 -13.9333 -12.9451 -12.9451 -12.9420 -12.9420 -12.9185 -12.9185 -12.9070 -12.9070 -12.9015 -12.9015 -12.8902 -12.8902 -5.3546 -5.3546 -4.2479 -4.2479 1.1279 1.1279 1.2554 1.2554 3.4921 3.4921 5.0898 5.0898 5.8296 5.8296 6.6285 6.6285 7.2381 7.2381 7.4910 7.4910 9.1787 9.1787 10.5970 10.5970 10.7503 10.7503 11.0726 11.0726 k = 0.1488 0.4028-0.0000 ( 4031 PWs) bands (ev): -13.9716 -13.9716 -13.9685 -13.9685 -13.9411 -13.9411 -13.9332 -13.9332 -12.9451 -12.9451 -12.9419 -12.9419 -12.9184 -12.9184 -12.9066 -12.9066 -12.9015 -12.9015 -12.8903 -12.8903 -5.3223 -5.3223 -4.2596 -4.2596 1.0365 1.0365 1.2217 1.2217 3.5421 3.5421 5.1455 5.1455 5.8948 5.8948 6.6434 6.6434 7.2386 7.2386 7.5785 7.5785 9.0590 9.0590 10.4754 10.4754 10.6655 10.6655 10.9493 10.9493 k = 0.1556 0.4211-0.0000 ( 4035 PWs) bands (ev): -13.9715 -13.9715 -13.9685 -13.9685 -13.9410 -13.9410 -13.9331 -13.9331 -12.9452 -12.9452 -12.9419 -12.9419 -12.9183 -12.9183 -12.9063 -12.9063 -12.9016 -12.9016 -12.8904 -12.8904 -5.2892 -5.2892 -4.2725 -4.2725 0.9470 0.9470 1.1912 1.1912 3.5942 3.5942 5.2029 5.2029 5.9599 5.9599 6.6557 6.6557 7.2330 7.2330 7.6698 7.6698 8.9444 8.9444 10.3552 10.3552 10.5869 10.5869 10.8274 10.8274 k = 0.1624 0.4395-0.0000 ( 4039 PWs) bands (ev): -13.9715 -13.9715 -13.9685 -13.9685 -13.9410 -13.9410 -13.9330 -13.9330 -12.9452 -12.9452 -12.9418 -12.9418 -12.9182 -12.9182 -12.9060 -12.9060 -12.9016 -12.9016 -12.8905 -12.8905 -5.2554 -5.2554 -4.2867 -4.2867 0.8597 0.8597 1.1640 1.1640 3.6483 3.6483 5.2619 5.2619 6.0243 6.0243 6.6651 6.6651 7.2249 7.2249 7.7592 7.7592 8.8370 8.8370 10.2367 10.2367 10.5146 10.5146 10.7075 10.7075 k = 0.1691 0.4578-0.0000 ( 4039 PWs) bands (ev): -13.9714 -13.9714 -13.9685 -13.9685 -13.9410 -13.9410 -13.9329 -13.9329 -12.9452 -12.9452 -12.9417 -12.9417 -12.9181 -12.9181 -12.9057 -12.9057 -12.9017 -12.9017 -12.8906 -12.8906 -5.2209 -5.2209 -4.3023 -4.3023 0.7748 0.7748 1.1404 1.1404 3.7043 3.7043 5.3224 5.3224 6.0875 6.0875 6.6716 6.6716 7.2165 7.2165 7.8416 7.8416 8.7405 8.7405 10.1203 10.1203 10.4477 10.4477 10.5915 10.5915 k = 0.1759 0.4761-0.0000 ( 4043 PWs) bands (ev): -13.9714 -13.9714 -13.9686 -13.9686 -13.9409 -13.9409 -13.9328 -13.9328 -12.9453 -12.9453 -12.9416 -12.9416 -12.9180 -12.9180 -12.9055 -12.9055 -12.9017 -12.9017 -12.8907 -12.8907 -5.1860 -5.1860 -4.3192 -4.3192 0.6926 0.6926 1.1204 1.1204 3.7621 3.7621 5.3841 5.3841 6.1484 6.1484 6.6751 6.6751 7.2091 7.2091 7.9101 7.9101 8.6612 8.6612 10.0063 10.0063 10.3822 10.3822 10.4841 10.4841 k = 0.1827 0.4944-0.0000 ( 4051 PWs) bands (ev): -13.9713 -13.9713 -13.9686 -13.9686 -13.9409 -13.9409 -13.9327 -13.9327 -12.9453 -12.9453 -12.9416 -12.9416 -12.9179 -12.9179 -12.9052 -12.9052 -12.9018 -12.9018 -12.8908 -12.8908 -5.1507 -5.1507 -4.3375 -4.3375 0.6133 0.6133 1.1043 1.1043 3.8215 3.8215 5.4469 5.4469 6.2059 6.2059 6.6753 6.6753 7.2039 7.2039 7.9543 7.9543 8.6093 8.6093 9.8951 9.8951 10.3047 10.3047 10.3996 10.3996 k = 0.1894 0.5127-0.0000 ( 4051 PWs) bands (ev): -13.9712 -13.9712 -13.9686 -13.9686 -13.9409 -13.9409 -13.9326 -13.9326 -12.9454 -12.9454 -12.9415 -12.9415 -12.9178 -12.9178 -12.9049 -12.9049 -12.9019 -12.9019 -12.8908 -12.8908 -5.1152 -5.1152 -4.3572 -4.3572 0.5371 0.5371 1.0921 1.0921 3.8826 3.8826 5.5104 5.5104 6.2585 6.2585 6.6723 6.6723 7.2024 7.2024 7.9629 7.9629 8.5957 8.5957 9.7871 9.7871 10.2068 10.2068 10.3466 10.3466 k = 0.1962 0.5310-0.0000 ( 4051 PWs) bands (ev): -13.9712 -13.9712 -13.9687 -13.9687 -13.9409 -13.9409 -13.9325 -13.9325 -12.9454 -12.9454 -12.9415 -12.9415 -12.9177 -12.9177 -12.9047 -12.9047 -12.9019 -12.9019 -12.8909 -12.8909 -5.0796 -5.0796 -4.3783 -4.3783 0.4643 0.4643 1.0839 1.0839 3.9451 3.9451 5.5745 5.5745 6.3047 6.3047 6.6660 6.6660 7.2063 7.2063 7.9333 7.9333 8.6230 8.6230 9.6826 9.6826 10.1008 10.1008 10.3136 10.3136 k = 0.2029 0.5493-0.0000 ( 4051 PWs) bands (ev): -13.9711 -13.9711 -13.9687 -13.9687 -13.9408 -13.9408 -13.9324 -13.9324 -12.9454 -12.9454 -12.9414 -12.9414 -12.9176 -12.9176 -12.9045 -12.9045 -12.9020 -12.9020 -12.8910 -12.8910 -5.0441 -5.0441 -4.4008 -4.4008 0.3950 0.3950 1.0799 1.0799 4.0090 4.0090 5.6387 5.6387 6.3425 6.3425 6.6564 6.6564 7.2171 7.2171 7.8750 7.8750 8.6817 8.6817 9.5822 9.5822 9.9941 9.9941 10.2935 10.2935 k = 0.2097 0.5676-0.0000 ( 4047 PWs) bands (ev): -13.9711 -13.9711 -13.9687 -13.9687 -13.9408 -13.9408 -13.9323 -13.9323 -12.9454 -12.9454 -12.9414 -12.9414 -12.9175 -12.9175 -12.9043 -12.9043 -12.9021 -12.9021 -12.8910 -12.8910 -5.0087 -5.0087 -4.4245 -4.4245 0.3295 0.3295 1.0801 1.0801 4.0739 4.0739 5.7028 5.7028 6.3705 6.3705 6.6435 6.6435 7.2366 7.2366 7.7998 7.7998 8.7596 8.7596 9.4864 9.4864 9.8891 9.8891 10.2842 10.2842 k = 0.2165 0.5859-0.0000 ( 4041 PWs) bands (ev): -13.9710 -13.9710 -13.9688 -13.9688 -13.9408 -13.9408 -13.9322 -13.9322 -12.9455 -12.9455 -12.9413 -12.9413 -12.9174 -12.9174 -12.9041 -12.9041 -12.9021 -12.9021 -12.8911 -12.8911 -4.9737 -4.9737 -4.4495 -4.4495 0.2680 0.2680 1.0844 1.0844 4.1399 4.1399 5.7663 5.7663 6.3876 6.3876 6.6272 6.6272 7.2656 7.2656 7.7162 7.7162 8.8481 8.8481 9.3960 9.3960 9.7870 9.7870 10.2847 10.2847 k = 0.2232 0.6042-0.0000 ( 4037 PWs) bands (ev): -13.9709 -13.9709 -13.9688 -13.9688 -13.9408 -13.9408 -13.9321 -13.9321 -12.9455 -12.9455 -12.9413 -12.9413 -12.9174 -12.9174 -12.9039 -12.9039 -12.9022 -12.9022 -12.8911 -12.8911 -4.9393 -4.9393 -4.4758 -4.4758 0.2105 0.2105 1.0929 1.0929 4.2066 4.2066 5.8287 5.8287 6.3935 6.3935 6.6076 6.6076 7.3040 7.3040 7.6295 7.6295 8.9406 8.9406 9.3128 9.3128 9.6886 9.6886 10.2943 10.2943 k = 0.2300 0.6226-0.0000 ( 4031 PWs) bands (ev): -13.9709 -13.9709 -13.9689 -13.9689 -13.9408 -13.9408 -13.9321 -13.9321 -12.9455 -12.9455 -12.9413 -12.9413 -12.9173 -12.9173 -12.9038 -12.9038 -12.9023 -12.9023 -12.8912 -12.8912 -4.9054 -4.9054 -4.5032 -4.5032 0.1574 0.1574 1.1056 1.1056 4.2738 4.2738 5.8896 5.8896 6.3888 6.3888 6.5850 6.5850 7.3497 7.3497 7.5439 7.5439 9.0282 9.0282 9.2431 9.2431 9.5948 9.5948 10.3117 10.3117 k = 0.2368 0.6409-0.0000 ( 4031 PWs) bands (ev): -13.9708 -13.9708 -13.9689 -13.9689 -13.9409 -13.9409 -13.9320 -13.9320 -12.9455 -12.9455 -12.9413 -12.9413 -12.9172 -12.9172 -12.9037 -12.9037 -12.9024 -12.9024 -12.8912 -12.8912 -4.8724 -4.8724 -4.5316 -4.5316 0.1087 0.1087 1.1224 1.1224 4.3413 4.3413 5.9483 5.9483 6.3743 6.3743 6.5598 6.5598 7.3884 7.3884 7.4740 7.4740 9.0750 9.0750 9.2208 9.2208 9.5071 9.5071 10.3349 10.3349 k = 0.2435 0.6592-0.0000 ( 4031 PWs) bands (ev): -13.9708 -13.9708 -13.9690 -13.9690 -13.9409 -13.9409 -13.9320 -13.9320 -12.9455 -12.9455 -12.9412 -12.9412 -12.9171 -12.9171 -12.9036 -12.9036 -12.9024 -12.9024 -12.8913 -12.8913 -4.8404 -4.8404 -4.5611 -4.5611 0.0647 0.0647 1.1432 1.1432 4.4088 4.4088 6.0040 6.0040 6.3514 6.3514 6.5328 6.5328 7.3477 7.3477 7.4914 7.4914 9.0419 9.0419 9.2804 9.2804 9.4299 9.4299 10.3582 10.3582 k = 0.2503 0.6775-0.0000 ( 4039 PWs) bands (ev): -13.9707 -13.9707 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9455 -12.9455 -12.9412 -12.9412 -12.9171 -12.9171 -12.9035 -12.9035 -12.9025 -12.9025 -12.8913 -12.8913 -4.8095 -4.8095 -4.5914 -4.5914 0.0254 0.0254 1.1680 1.1680 4.4759 4.4759 6.0561 6.0561 6.3213 6.3213 6.5045 6.5045 7.2696 7.2696 7.5528 7.5528 8.9860 8.9860 9.3181 9.3181 9.4101 9.4101 10.3668 10.3668 k = 0.2571 0.6958-0.0000 ( 4043 PWs) bands (ev): -13.9707 -13.9707 -13.9691 -13.9691 -13.9409 -13.9409 -13.9318 -13.9318 -12.9455 -12.9455 -12.9412 -12.9412 -12.9170 -12.9170 -12.9034 -12.9034 -12.9026 -12.9026 -12.8913 -12.8913 -4.7799 -4.7799 -4.6225 -4.6225 -0.0091 -0.0091 1.1966 1.1966 4.5422 4.5422 6.1034 6.1034 6.2854 6.2854 6.4756 6.4756 7.1902 7.1902 7.6206 7.6206 8.9305 8.9305 9.2671 9.2671 9.4912 9.4912 10.3398 10.3398 k = 0.2638 0.7141-0.0000 ( 4043 PWs) bands (ev): -13.9706 -13.9706 -13.9691 -13.9691 -13.9410 -13.9410 -13.9318 -13.9318 -12.9455 -12.9455 -12.9412 -12.9412 -12.9170 -12.9170 -12.9033 -12.9033 -12.9027 -12.9027 -12.8914 -12.8914 -4.7517 -4.7517 -4.6543 -4.6543 -0.0385 -0.0385 1.2290 1.2290 4.6072 4.6072 6.1437 6.1437 6.2461 6.2461 6.4466 6.4466 7.1136 7.1136 7.6888 7.6888 8.8800 8.8800 9.2134 9.2134 9.5819 9.5819 10.2879 10.2879 k = 0.2706 0.7324-0.0000 ( 4039 PWs) bands (ev): -13.9706 -13.9706 -13.9692 -13.9692 -13.9410 -13.9410 -13.9318 -13.9318 -12.9455 -12.9455 -12.9412 -12.9412 -12.9170 -12.9170 -12.9033 -12.9033 -12.9027 -12.9027 -12.8914 -12.8914 -4.7250 -4.7250 -4.6866 -4.6866 -0.0629 -0.0629 1.2650 1.2650 4.6704 4.6704 6.1656 6.1656 6.2149 6.2149 6.4183 6.4183 7.0409 7.0409 7.7539 7.7539 8.8365 8.8365 9.1701 9.1701 9.6636 9.6636 10.2370 10.2370 k = 0.2774 0.7507-0.0000 ( 4033 PWs) bands (ev): -13.9705 -13.9705 -13.9692 -13.9692 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8914 -12.8914 -4.7194 -4.7194 -4.6999 -4.6999 -0.0822 -0.0822 1.3044 1.3044 4.7312 4.7312 6.1368 6.1368 6.2236 6.2236 6.3915 6.3915 6.9729 6.9729 7.8122 7.8122 8.8022 8.8022 9.1402 9.1402 9.7235 9.7235 10.2067 10.2067 k = 0.2841 0.7690-0.0000 ( 4033 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8915 -12.8915 -4.7526 -4.7526 -4.6766 -4.6766 -0.0963 -0.0963 1.3472 1.3472 4.7888 4.7888 6.0885 6.0885 6.2399 6.2399 6.3679 6.3679 6.9105 6.9105 7.8594 7.8594 8.7798 8.7798 9.1255 9.1255 9.7466 9.7466 10.2145 10.2145 k = 0.2841 0.7690-0.0000 ( 4033 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8915 -12.8915 -4.7526 -4.7526 -4.6766 -4.6766 -0.0963 -0.0963 1.3472 1.3472 4.7888 4.7888 6.0885 6.0885 6.2399 6.2399 6.3679 6.3679 6.9105 6.9105 7.8594 7.8594 8.7798 8.7798 9.1255 9.1255 9.7466 9.7466 10.2145 10.2145 k = 0.2652 0.7690-0.0000 ( 4036 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8915 -12.8915 -4.7442 -4.7442 -4.6814 -4.6814 -0.0910 -0.0910 1.3308 1.3308 4.7738 4.7738 6.1011 6.1011 6.2369 6.2369 6.3645 6.3645 6.9391 6.9391 7.8438 7.8438 8.7848 8.7848 9.1275 9.1275 9.7551 9.7551 10.2059 10.2059 k = 0.2462 0.7690-0.0000 ( 4040 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9170 -12.9170 -12.9034 -12.9034 -12.9027 -12.9027 -12.8915 -12.8915 -4.7426 -4.7426 -4.6797 -4.6797 -0.0828 -0.0828 1.3116 1.3116 4.7665 4.7665 6.1034 6.1034 6.2369 6.2369 6.3437 6.3437 6.9818 6.9818 7.8252 7.8252 8.7895 8.7895 9.1292 9.1292 9.7768 9.7768 10.2036 10.2036 k = 0.2273 0.7690-0.0000 ( 4040 PWs) bands (ev): -13.9705 -13.9705 -13.9692 -13.9692 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9170 -12.9170 -12.9035 -12.9035 -12.9026 -12.9026 -12.8915 -12.8915 -4.7467 -4.7467 -4.6726 -4.6726 -0.0721 -0.0721 1.2897 1.2897 4.7668 4.7668 6.0948 6.0948 6.2359 6.2359 6.3161 6.3161 7.0327 7.0327 7.8048 7.8048 8.7944 8.7944 9.1316 9.1316 9.8008 9.8008 10.2152 10.2152 k = 0.2084 0.7690-0.0000 ( 4035 PWs) bands (ev): -13.9706 -13.9706 -13.9692 -13.9692 -13.9410 -13.9410 -13.9318 -13.9318 -12.9455 -12.9455 -12.9413 -12.9413 -12.9170 -12.9170 -12.9035 -12.9035 -12.9024 -12.9024 -12.8915 -12.8915 -4.7537 -4.7537 -4.6628 -4.6628 -0.0591 -0.0591 1.2655 1.2655 4.7749 4.7749 6.0742 6.0742 6.2227 6.2227 6.2990 6.2990 7.0865 7.0865 7.7838 7.7838 8.8004 8.8004 9.1364 9.1364 9.8141 9.8141 10.2490 10.2490 k = 0.1894 0.7690-0.0000 ( 4035 PWs) bands (ev): -13.9706 -13.9706 -13.9692 -13.9692 -13.9410 -13.9410 -13.9318 -13.9318 -12.9455 -12.9455 -12.9413 -12.9413 -12.9171 -12.9171 -12.9036 -12.9036 -12.9023 -12.9023 -12.8915 -12.8915 -4.7616 -4.7616 -4.6523 -4.6523 -0.0441 -0.0441 1.2395 1.2395 4.7906 4.7906 6.0394 6.0394 6.1962 6.1962 6.2998 6.2998 7.1398 7.1398 7.7629 7.7629 8.8090 8.8090 9.1443 9.1443 9.8093 9.8093 10.3080 10.3080 k = 0.1705 0.7690-0.0000 ( 4042 PWs) bands (ev): -13.9706 -13.9706 -13.9691 -13.9691 -13.9410 -13.9410 -13.9318 -13.9318 -12.9454 -12.9454 -12.9413 -12.9413 -12.9171 -12.9171 -12.9036 -12.9036 -12.9021 -12.9021 -12.8915 -12.8915 -4.7696 -4.7696 -4.6420 -4.6420 -0.0276 -0.0276 1.2121 1.2121 4.8137 4.8137 5.9892 5.9892 6.1703 6.1703 6.3082 6.3082 7.1900 7.1900 7.7429 7.7429 8.8212 8.8212 9.1559 9.1559 9.7869 9.7869 10.3863 10.3863 k = 0.1515 0.7690-0.0000 ( 4042 PWs) bands (ev): -13.9706 -13.9706 -13.9691 -13.9691 -13.9410 -13.9410 -13.9318 -13.9318 -12.9454 -12.9454 -12.9414 -12.9414 -12.9172 -12.9172 -12.9037 -12.9037 -12.9019 -12.9019 -12.8916 -12.8916 -4.7772 -4.7772 -4.6323 -4.6323 -0.0101 -0.0101 1.1840 1.1840 4.8440 4.8440 5.9261 5.9261 6.1503 6.1503 6.3185 6.3185 7.2358 7.2358 7.7242 7.7242 8.8380 8.8380 9.1707 9.1707 9.7514 9.7514 10.4659 10.4659 k = 0.1326 0.7690-0.0000 ( 4044 PWs) bands (ev): -13.9707 -13.9707 -13.9691 -13.9691 -13.9410 -13.9410 -13.9318 -13.9318 -12.9454 -12.9454 -12.9414 -12.9414 -12.9173 -12.9173 -12.9037 -12.9037 -12.9018 -12.9018 -12.8916 -12.8916 -4.7841 -4.7841 -4.6236 -4.6236 0.0080 0.0080 1.1559 1.1559 4.8811 4.8811 5.8545 5.8545 6.1353 6.1353 6.3287 6.3287 7.2763 7.2763 7.7071 7.7071 8.8600 8.8600 9.1882 9.1882 9.7069 9.7069 10.4941 10.4941 k = 0.1136 0.7690-0.0000 ( 4052 PWs) bands (ev): -13.9707 -13.9707 -13.9691 -13.9691 -13.9409 -13.9409 -13.9319 -13.9319 -12.9453 -12.9453 -12.9414 -12.9414 -12.9173 -12.9173 -12.9038 -12.9038 -12.9017 -12.9017 -12.8917 -12.8917 -4.7903 -4.7903 -4.6158 -4.6158 0.0260 0.0260 1.1288 1.1288 4.9247 4.9247 5.7780 5.7780 6.1237 6.1237 6.3379 6.3379 7.3110 7.3110 7.6919 7.6919 8.8873 8.8873 9.2073 9.2073 9.6568 9.6568 10.4720 10.4720 k = 0.0947 0.7690-0.0000 ( 4051 PWs) bands (ev): -13.9707 -13.9707 -13.9691 -13.9691 -13.9409 -13.9409 -13.9319 -13.9319 -12.9453 -12.9453 -12.9415 -12.9415 -12.9174 -12.9174 -12.9038 -12.9038 -12.9015 -12.9015 -12.8917 -12.8917 -4.7956 -4.7956 -4.6092 -4.6092 0.0431 0.0431 1.1035 1.1035 4.9741 4.9741 5.6988 5.6988 6.1147 6.1147 6.3459 6.3459 7.3398 7.3398 7.6788 7.6788 8.9192 8.9192 9.2272 9.2272 9.6033 9.6033 10.4417 10.4417 k = 0.0758 0.7690-0.0000 ( 4051 PWs) bands (ev): -13.9707 -13.9707 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9453 -12.9453 -12.9415 -12.9415 -12.9174 -12.9174 -12.9038 -12.9038 -12.9014 -12.9014 -12.8918 -12.8918 -4.8000 -4.8000 -4.6037 -4.6037 0.0587 0.0587 1.0810 1.0810 5.0290 5.0290 5.6186 5.6186 6.1076 6.1076 6.3526 6.3526 7.3629 7.3629 7.6679 7.6679 8.9544 8.9544 9.2469 9.2469 9.5488 9.5488 10.4126 10.4126 k = 0.0568 0.7690-0.0000 ( 4055 PWs) bands (ev): -13.9707 -13.9707 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9453 -12.9453 -12.9415 -12.9415 -12.9174 -12.9174 -12.9038 -12.9038 -12.9013 -12.9013 -12.8918 -12.8918 -4.8035 -4.8035 -4.5995 -4.5995 0.0719 0.0719 1.0622 1.0622 5.0887 5.0887 5.5388 5.5388 6.1023 6.1023 6.3577 6.3577 7.3805 7.3805 7.6592 7.6592 8.9905 8.9905 9.2655 9.2655 9.4958 9.4958 10.3877 10.3877 k = 0.0379 0.7690-0.0000 ( 4055 PWs) bands (ev): -13.9707 -13.9707 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9452 -12.9452 -12.9415 -12.9415 -12.9175 -12.9175 -12.9038 -12.9038 -12.9013 -12.9013 -12.8918 -12.8918 -4.8059 -4.8059 -4.5964 -4.5964 0.0819 0.0819 1.0480 1.0480 5.1520 5.1520 5.4609 5.4609 6.0985 6.0985 6.3615 6.3615 7.3929 7.3929 7.6530 7.6530 9.0237 9.0237 9.2826 9.2826 9.4477 9.4477 10.3686 10.3686 k = 0.0189 0.7690-0.0000 ( 4049 PWs) bands (ev): -13.9707 -13.9707 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9452 -12.9452 -12.9415 -12.9415 -12.9175 -12.9175 -12.9039 -12.9039 -12.9012 -12.9012 -12.8918 -12.8918 -4.8074 -4.8074 -4.5945 -4.5945 0.0882 0.0882 1.0392 1.0392 5.2159 5.2159 5.3881 5.3881 6.0963 6.0963 6.3637 6.3637 7.4002 7.4002 7.6492 7.6492 9.0482 9.0482 9.2972 9.2972 9.4102 9.4102 10.3567 10.3567 k = 0.0000 0.7690-0.0000 ( 4050 PWs) bands (ev): -13.9707 -13.9707 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9452 -12.9452 -12.9415 -12.9415 -12.9175 -12.9175 -12.9039 -12.9039 -12.9012 -12.9012 -12.8918 -12.8918 -4.8079 -4.8079 -4.5939 -4.5939 0.0904 0.0904 1.0362 1.0362 5.2572 5.2572 5.3438 5.3438 6.0956 6.0956 6.3644 6.3644 7.4026 7.4026 7.6480 7.6480 9.0575 9.0575 9.3042 9.3042 9.3946 9.3946 10.3527 10.3527 k = 0.0000 0.7690-0.0000 ( 4050 PWs) bands (ev): -13.9707 -13.9707 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9452 -12.9452 -12.9415 -12.9415 -12.9175 -12.9175 -12.9039 -12.9039 -12.9012 -12.9012 -12.8918 -12.8918 -4.8079 -4.8079 -4.5939 -4.5939 0.0904 0.0904 1.0362 1.0362 5.2572 5.2572 5.3438 5.3438 6.0956 6.0956 6.3644 6.3644 7.4026 7.4026 7.6480 7.6480 9.0575 9.0575 9.3042 9.3042 9.3946 9.3946 10.3527 10.3527 k = 0.0000 0.7690 0.0195 ( 4050 PWs) bands (ev): -13.9707 -13.9707 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9452 -12.9452 -12.9415 -12.9415 -12.9175 -12.9175 -12.9038 -12.9038 -12.9012 -12.9012 -12.8918 -12.8918 -4.8074 -4.8074 -4.5935 -4.5935 0.0917 0.0917 1.0374 1.0374 5.2534 5.2534 5.3437 5.3437 6.0815 6.0815 6.3582 6.3582 7.4076 7.4076 7.6390 7.6390 9.0454 9.0454 9.2836 9.2836 9.4505 9.4505 10.3545 10.3545 k = 0.0000 0.7690 0.0391 ( 4058 PWs) bands (ev): -13.9708 -13.9708 -13.9690 -13.9690 -13.9409 -13.9409 -13.9319 -13.9319 -12.9452 -12.9452 -12.9415 -12.9415 -12.9175 -12.9175 -12.9038 -12.9038 -12.9012 -12.9012 -12.8918 -12.8918 -4.8057 -4.8057 -4.5923 -4.5923 0.0957 0.0957 1.0410 1.0410 5.2418 5.2418 5.3435 5.3435 6.0409 6.0409 6.3401 6.3401 7.4208 7.4208 7.6113 7.6113 9.0236 9.0236 9.2656 9.2656 9.5617 9.5617 10.3598 10.3598 k = 0.0000 0.7690 0.0586 ( 4048 PWs) bands (ev): -13.9708 -13.9708 -13.9690 -13.9690 -13.9408 -13.9408 -13.9319 -13.9319 -12.9453 -12.9453 -12.9416 -12.9416 -12.9175 -12.9175 -12.9038 -12.9038 -12.9012 -12.9012 -12.8918 -12.8918 -4.8029 -4.8029 -4.5902 -4.5902 0.1022 0.1022 1.0469 1.0469 5.2221 5.2221 5.3430 5.3430 5.9779 5.9779 6.3119 6.3119 7.4371 7.4371 7.5631 7.5631 9.0150 9.0150 9.2614 9.2614 9.6967 9.6967 10.3676 10.3676 k = 0.0000 0.7690 0.0782 ( 4044 PWs) bands (ev): -13.9708 -13.9708 -13.9690 -13.9690 -13.9408 -13.9408 -13.9319 -13.9319 -12.9453 -12.9453 -12.9416 -12.9416 -12.9175 -12.9175 -12.9037 -12.9037 -12.9013 -12.9013 -12.8918 -12.8918 -4.7991 -4.7991 -4.5874 -4.5874 0.1114 0.1114 1.0552 1.0552 5.1937 5.1937 5.3421 5.3421 5.8975 5.8975 6.2767 6.2767 7.4470 7.4470 7.4969 7.4969 9.0320 9.0320 9.2703 9.2703 9.8459 9.8459 10.3771 10.3771 k = 0.0000 0.7690 0.0977 ( 4046 PWs) bands (ev): -13.9708 -13.9708 -13.9691 -13.9691 -13.9408 -13.9408 -13.9320 -13.9320 -12.9454 -12.9454 -12.9416 -12.9416 -12.9175 -12.9175 -12.9036 -12.9036 -12.9013 -12.9013 -12.8919 -12.8919 -4.7941 -4.7941 -4.5838 -4.5838 0.1232 0.1232 1.0658 1.0658 5.1562 5.1562 5.3405 5.3405 5.8044 5.8044 6.2378 6.2378 7.3944 7.3944 7.4645 7.4645 9.0773 9.0773 9.2944 9.2944 10.0037 10.0037 10.3880 10.3880 k = 0.0000 0.7690 0.1173 ( 4040 PWs) bands (ev): -13.9708 -13.9708 -13.9691 -13.9691 -13.9407 -13.9407 -13.9320 -13.9320 -12.9454 -12.9454 -12.9417 -12.9417 -12.9175 -12.9175 -12.9036 -12.9036 -12.9013 -12.9013 -12.8919 -12.8919 -4.7881 -4.7881 -4.5795 -4.5795 0.1377 0.1377 1.0787 1.0787 5.1090 5.1090 5.3378 5.3378 5.7026 5.7026 6.1982 6.1982 7.2893 7.2893 7.4549 7.4549 9.1487 9.1487 9.3360 9.3360 10.1654 10.1654 10.4012 10.4012 k = 0.0000 0.7690 0.1368 ( 4040 PWs) bands (ev): -13.9708 -13.9708 -13.9691 -13.9691 -13.9406 -13.9406 -13.9320 -13.9320 -12.9455 -12.9455 -12.9417 -12.9417 -12.9175 -12.9175 -12.9035 -12.9035 -12.9014 -12.9014 -12.8919 -12.8919 -4.7811 -4.7811 -4.5745 -4.5745 0.1547 0.1547 1.0940 1.0940 5.0522 5.0522 5.3330 5.3330 5.5959 5.5959 6.1608 6.1608 7.1696 7.1696 7.4323 7.4323 9.2417 9.2417 9.3962 9.3962 10.3183 10.3183 10.4269 10.4269 k = 0.0000 0.7690 0.1564 ( 4046 PWs) bands (ev): -13.9709 -13.9709 -13.9692 -13.9692 -13.9406 -13.9406 -13.9320 -13.9320 -12.9456 -12.9456 -12.9418 -12.9418 -12.9174 -12.9174 -12.9034 -12.9034 -12.9014 -12.9014 -12.8919 -12.8919 -4.7731 -4.7731 -4.5688 -4.5688 0.1743 0.1743 1.1115 1.1115 4.9860 4.9860 5.3233 5.3233 5.4890 5.4890 6.1271 6.1271 7.0407 7.0407 7.3950 7.3950 9.3519 9.3519 9.4748 9.4748 10.3938 10.3938 10.5323 10.5323 k = 0.0000 0.7690 0.1759 ( 4042 PWs) bands (ev): -13.9709 -13.9709 -13.9692 -13.9692 -13.9405 -13.9405 -13.9321 -13.9321 -12.9457 -12.9457 -12.9418 -12.9418 -12.9174 -12.9174 -12.9034 -12.9034 -12.9013 -12.9013 -12.8919 -12.8919 -4.7641 -4.7641 -4.5624 -4.5624 0.1965 0.1965 1.1312 1.1312 4.9111 4.9111 5.2954 5.2954 5.3965 5.3965 6.0980 6.0980 6.9063 6.9063 7.3443 7.3443 9.4749 9.4749 9.5700 9.5700 10.4143 10.4143 10.6934 10.6934 k = 0.0000 0.7690 0.1955 ( 4042 PWs) bands (ev): -13.9709 -13.9709 -13.9693 -13.9693 -13.9404 -13.9404 -13.9321 -13.9321 -12.9458 -12.9458 -12.9419 -12.9419 -12.9174 -12.9174 -12.9035 -12.9035 -12.9012 -12.9012 -12.8919 -12.8919 -4.7543 -4.7543 -4.5555 -4.5555 0.2212 0.2212 1.1531 1.1531 4.8286 4.8286 5.2177 5.2177 5.3511 5.3511 6.0735 6.0735 6.7690 6.7690 7.2828 7.2828 9.6066 9.6066 9.6797 9.6797 10.4299 10.4299 10.8594 10.8594 k = 0.0000 0.7690 0.2150 ( 4046 PWs) bands (ev): -13.9710 -13.9710 -13.9693 -13.9693 -13.9403 -13.9403 -13.9322 -13.9322 -12.9458 -12.9458 -12.9420 -12.9420 -12.9174 -12.9174 -12.9036 -12.9036 -12.9011 -12.9011 -12.8919 -12.8919 -4.7435 -4.7435 -4.5480 -4.5480 0.2484 0.2484 1.1772 1.1772 4.7396 4.7396 5.1110 5.1110 5.3325 5.3325 6.0526 6.0526 6.6316 6.6316 7.2131 7.2131 9.7419 9.7419 9.8025 9.8025 10.4474 10.4474 11.0226 11.0226 k = 0.0000 0.7690 0.2346 ( 4042 PWs) bands (ev): -13.9710 -13.9710 -13.9694 -13.9694 -13.9402 -13.9402 -13.9322 -13.9322 -12.9459 -12.9459 -12.9421 -12.9421 -12.9173 -12.9173 -12.9037 -12.9037 -12.9009 -12.9009 -12.8919 -12.8919 -4.7320 -4.7320 -4.5400 -4.5400 0.2782 0.2782 1.2033 1.2033 4.6456 4.6456 4.9985 4.9985 5.3177 5.3177 6.0334 6.0334 6.4968 6.4968 7.1383 7.1383 9.8734 9.8734 9.9384 9.9384 10.4708 10.4708 11.1792 11.1792 k = 0.0000 0.7690 0.2541 ( 4048 PWs) bands (ev): -13.9710 -13.9710 -13.9694 -13.9694 -13.9401 -13.9401 -13.9323 -13.9323 -12.9460 -12.9460 -12.9422 -12.9422 -12.9173 -12.9173 -12.9039 -12.9039 -12.9007 -12.9007 -12.8918 -12.8918 -4.7197 -4.7197 -4.5317 -4.5317 0.3105 0.3105 1.2314 1.2314 4.5478 4.5478 4.8855 4.8855 5.3017 5.3017 6.0119 6.0119 6.3694 6.3694 7.0607 7.0607 9.9942 9.9942 10.0859 10.0859 10.5052 10.5052 11.3247 11.3247 k = 0.0000 0.7690 0.2737 ( 4050 PWs) bands (ev): -13.9711 -13.9711 -13.9695 -13.9695 -13.9399 -13.9399 -13.9323 -13.9323 -12.9461 -12.9461 -12.9424 -12.9424 -12.9172 -12.9172 -12.9041 -12.9041 -12.9004 -12.9004 -12.8918 -12.8918 -4.7068 -4.7068 -4.5230 -4.5230 0.3452 0.3452 1.2613 1.2613 4.4473 4.4473 4.7736 4.7736 5.2825 5.2825 5.9790 5.9790 6.2586 6.2586 6.9827 6.9827 10.0978 10.0978 10.2408 10.2408 10.5580 10.5580 11.4536 11.4536 k = 0.0000 0.7690 0.2932 ( 4048 PWs) bands (ev): -13.9711 -13.9711 -13.9696 -13.9696 -13.9398 -13.9398 -13.9324 -13.9324 -12.9462 -12.9462 -12.9425 -12.9425 -12.9171 -12.9171 -12.9044 -12.9044 -12.9001 -12.9001 -12.8918 -12.8918 -4.6932 -4.6932 -4.5140 -4.5140 0.3823 0.3823 1.2931 1.2931 4.3451 4.3451 4.6636 4.6636 5.2593 5.2593 5.9191 5.9191 6.1800 6.1800 6.9063 6.9063 10.1772 10.1772 10.3996 10.3996 10.6366 10.6366 11.5587 11.5587 k = 0.0000 0.7690 0.3128 ( 4050 PWs) bands (ev): -13.9711 -13.9711 -13.9696 -13.9696 -13.9396 -13.9396 -13.9325 -13.9325 -12.9463 -12.9463 -12.9426 -12.9426 -12.9170 -12.9170 -12.9047 -12.9047 -12.8998 -12.8998 -12.8918 -12.8918 -4.6791 -4.6791 -4.5048 -4.5048 0.4218 0.4218 1.3265 1.3265 4.2423 4.2423 4.5561 4.5561 5.2313 5.2313 5.8262 5.8262 6.1398 6.1398 6.8333 6.8333 10.2312 10.2312 10.5601 10.5601 10.7418 10.7418 11.6336 11.6336 k = 0.0000 0.7690 0.3323 ( 4046 PWs) bands (ev): -13.9712 -13.9712 -13.9697 -13.9697 -13.9395 -13.9395 -13.9326 -13.9326 -12.9464 -12.9464 -12.9428 -12.9428 -12.9169 -12.9169 -12.9050 -12.9050 -12.8994 -12.8994 -12.8918 -12.8918 -4.6645 -4.6645 -4.4955 -4.4955 0.4636 0.4636 1.3613 1.3613 4.1394 4.1394 4.4514 4.4514 5.1980 5.1980 5.7138 5.7138 6.1247 6.1247 6.7649 6.7649 10.2656 10.2656 10.7206 10.7206 10.8670 10.8670 11.6753 11.6753 k = 0.0000 0.7690 0.3518 ( 4038 PWs) bands (ev): -13.9712 -13.9712 -13.9698 -13.9698 -13.9393 -13.9393 -13.9327 -13.9327 -12.9465 -12.9465 -12.9430 -12.9430 -12.9168 -12.9168 -12.9053 -12.9053 -12.8991 -12.8991 -12.8918 -12.8918 -4.6496 -4.6496 -4.4862 -4.4862 0.5077 0.5077 1.3975 1.3975 4.0372 4.0372 4.3498 4.3498 5.1589 5.1589 5.5945 5.5945 6.1219 6.1219 6.7023 6.7023 10.2875 10.2875 10.8790 10.8790 11.0038 11.0038 11.6877 11.6877 k = 0.0000 0.7690 0.3714 ( 4044 PWs) bands (ev): -13.9713 -13.9713 -13.9699 -13.9699 -13.9392 -13.9392 -13.9327 -13.9327 -12.9466 -12.9466 -12.9431 -12.9431 -12.9167 -12.9167 -12.9057 -12.9057 -12.8987 -12.8987 -12.8917 -12.8917 -4.6343 -4.6343 -4.4769 -4.4769 0.5541 0.5541 1.4348 1.4348 3.9364 3.9364 4.2515 4.2515 5.1139 5.1139 5.4743 5.4743 6.1257 6.1257 6.6461 6.6461 10.3020 10.3020 11.0323 11.0323 11.1458 11.1458 11.6797 11.6797 k = 0.0000 0.7690 0.3909 ( 4044 PWs) bands (ev): -13.9713 -13.9713 -13.9699 -13.9699 -13.9390 -13.9390 -13.9328 -13.9328 -12.9467 -12.9467 -12.9433 -12.9433 -12.9166 -12.9166 -12.9060 -12.9060 -12.8984 -12.8984 -12.8917 -12.8917 -4.6189 -4.6189 -4.4677 -4.4677 0.6026 0.6026 1.4730 1.4730 3.8374 3.8374 4.1566 4.1566 5.0631 5.0631 5.3559 5.3559 6.1334 6.1334 6.5968 6.5968 10.3122 10.3122 11.1741 11.1741 11.2886 11.2886 11.6646 11.6646 k = 0.0000 0.7690 0.4105 ( 4050 PWs) bands (ev): -13.9713 -13.9713 -13.9700 -13.9700 -13.9388 -13.9388 -13.9330 -13.9330 -12.9468 -12.9468 -12.9435 -12.9435 -12.9164 -12.9164 -12.9064 -12.9064 -12.8980 -12.8980 -12.8917 -12.8917 -4.6033 -4.6033 -4.4588 -4.4588 0.6532 0.6532 1.5116 1.5116 3.7407 3.7407 4.0654 4.0654 5.0069 5.0069 5.2410 5.2410 6.1437 6.1437 6.5543 6.5543 10.3199 10.3199 11.2876 11.2876 11.4297 11.4297 11.6637 11.6637 k = 0.0000 0.7690 0.4300 ( 4054 PWs) bands (ev): -13.9714 -13.9714 -13.9701 -13.9701 -13.9386 -13.9386 -13.9331 -13.9331 -12.9468 -12.9468 -12.9437 -12.9437 -12.9163 -12.9163 -12.9068 -12.9068 -12.8976 -12.8976 -12.8917 -12.8917 -4.5877 -4.5877 -4.4502 -4.4502 0.7058 0.7058 1.5503 1.5503 3.6470 3.6470 3.9778 3.9778 4.9458 4.9458 5.1303 5.1303 6.1557 6.1557 6.5185 6.5185 10.3262 10.3262 11.3426 11.3426 11.5695 11.5695 11.7084 11.7084 k = 0.0000 0.7690 0.4496 ( 4058 PWs) bands (ev): -13.9714 -13.9714 -13.9702 -13.9702 -13.9384 -13.9384 -13.9332 -13.9332 -12.9469 -12.9469 -12.9439 -12.9439 -12.9161 -12.9161 -12.9072 -12.9072 -12.8972 -12.8972 -12.8917 -12.8917 -4.5721 -4.5721 -4.4420 -4.4420 0.7603 0.7603 1.5886 1.5886 3.5568 3.5568 3.8939 3.8939 4.8806 4.8806 5.0248 5.0248 6.1689 6.1689 6.4887 6.4887 10.3320 10.3320 11.3351 11.3351 11.7086 11.7086 11.8020 11.8020 k = 0.0000 0.7690 0.4691 ( 4056 PWs) bands (ev): -13.9714 -13.9714 -13.9703 -13.9703 -13.9382 -13.9382 -13.9333 -13.9333 -12.9469 -12.9469 -12.9441 -12.9441 -12.9159 -12.9159 -12.9076 -12.9076 -12.8969 -12.8969 -12.8917 -12.8917 -4.5567 -4.5567 -4.4342 -4.4342 0.8166 0.8166 1.6259 1.6259 3.4706 3.4706 3.8138 3.8138 4.8123 4.8123 4.9250 4.9250 6.1831 6.1831 6.4644 6.4644 10.3378 10.3378 11.2943 11.2943 11.8455 11.8455 11.9166 11.9166 k = 0.0000 0.7690 0.4887 ( 4060 PWs) bands (ev): -13.9714 -13.9714 -13.9704 -13.9704 -13.9380 -13.9380 -13.9334 -13.9334 -12.9470 -12.9470 -12.9443 -12.9443 -12.9157 -12.9157 -12.9080 -12.9080 -12.8965 -12.8965 -12.8917 -12.8917 -4.5416 -4.5416 -4.4271 -4.4271 0.8746 0.8746 1.6615 1.6615 3.3892 3.3892 3.7374 3.7374 4.7418 4.7418 4.8314 4.8314 6.1977 6.1977 6.4448 6.4448 10.3441 10.3441 11.2396 11.2396 11.9778 11.9778 12.0347 12.0347 k = 0.0000 0.7690 0.5082 ( 4058 PWs) bands (ev): -13.9714 -13.9714 -13.9705 -13.9705 -13.9378 -13.9378 -13.9336 -13.9336 -12.9470 -12.9470 -12.9445 -12.9445 -12.9155 -12.9155 -12.9084 -12.9084 -12.8961 -12.8961 -12.8917 -12.8917 -4.5268 -4.5268 -4.4206 -4.4206 0.9341 0.9341 1.6945 1.6945 3.3134 3.3134 3.6647 3.6647 4.6705 4.6705 4.7445 4.7445 6.2127 6.2127 6.4292 6.4292 10.3514 10.3514 11.1790 11.1790 12.1034 12.1034 12.1492 12.1492 k = 0.0000 0.7690 0.5278 ( 4064 PWs) bands (ev): -13.9714 -13.9714 -13.9706 -13.9706 -13.9376 -13.9376 -13.9337 -13.9337 -12.9470 -12.9470 -12.9447 -12.9447 -12.9153 -12.9153 -12.9088 -12.9088 -12.8958 -12.8958 -12.8917 -12.8917 -4.5124 -4.5124 -4.4148 -4.4148 0.9950 0.9950 1.7240 1.7240 3.2441 3.2441 3.5954 3.5954 4.5999 4.5999 4.6640 4.6640 6.2278 6.2278 6.4167 6.4167 10.3599 10.3599 11.1161 11.1161 12.2207 12.2207 12.2575 12.2575 k = 0.0000 0.7690 0.5473 ( 4066 PWs) bands (ev): -13.9715 -13.9715 -13.9706 -13.9706 -13.9374 -13.9374 -13.9339 -13.9339 -12.9470 -12.9470 -12.9449 -12.9449 -12.9151 -12.9151 -12.9092 -12.9092 -12.8954 -12.8954 -12.8918 -12.8918 -4.4986 -4.4986 -4.4099 -4.4099 1.0570 1.0570 1.7486 1.7486 3.1823 3.1823 3.5296 3.5296 4.5319 4.5319 4.5898 4.5898 6.2427 6.2427 6.4068 6.4068 10.3701 10.3701 11.0528 11.0528 12.3281 12.3281 12.3584 12.3584 k = 0.0000 0.7690 0.5669 ( 4064 PWs) bands (ev): -13.9715 -13.9715 -13.9707 -13.9707 -13.9372 -13.9372 -13.9340 -13.9340 -12.9470 -12.9470 -12.9451 -12.9451 -12.9148 -12.9148 -12.9096 -12.9096 -12.8951 -12.8951 -12.8919 -12.8919 -4.4854 -4.4854 -4.4058 -4.4058 1.1199 1.1199 1.7671 1.7671 3.1292 3.1292 3.4671 3.4671 4.4681 4.4681 4.5215 4.5215 6.2574 6.2574 6.3987 6.3987 10.3823 10.3823 10.9903 10.9903 12.4242 12.4242 12.4512 12.4512 k = 0.0000 0.7690 0.5864 ( 4066 PWs) bands (ev): -13.9715 -13.9715 -13.9708 -13.9708 -13.9370 -13.9370 -13.9342 -13.9342 -12.9470 -12.9470 -12.9453 -12.9453 -12.9146 -12.9146 -12.9099 -12.9099 -12.8948 -12.8948 -12.8919 -12.8919 -4.4729 -4.4729 -4.4027 -4.4027 1.1834 1.1834 1.7782 1.7782 3.0860 3.0860 3.4078 3.4078 4.4101 4.4101 4.4591 4.4591 6.2715 6.2715 6.3920 6.3920 10.3968 10.3968 10.9293 10.9293 12.5084 12.5084 12.5353 12.5353 k = 0.0000 0.7690 0.6060 ( 4068 PWs) bands (ev): -13.9714 -13.9714 -13.9709 -13.9709 -13.9368 -13.9368 -13.9344 -13.9344 -12.9469 -12.9469 -12.9455 -12.9455 -12.9143 -12.9143 -12.9103 -12.9103 -12.8944 -12.8944 -12.8920 -12.8920 -4.4612 -4.4612 -4.4006 -4.4006 1.2472 1.2472 1.7807 1.7807 3.0535 3.0535 3.3515 3.3515 4.3588 4.3588 4.4029 4.4029 6.2851 6.2851 6.3861 6.3861 10.4138 10.4138 10.8705 10.8705 12.5812 12.5812 12.6093 12.6093 k = 0.0000 0.7690 0.6255 ( 4070 PWs) bands (ev): -13.9714 -13.9714 -13.9710 -13.9710 -13.9365 -13.9365 -13.9346 -13.9346 -12.9469 -12.9469 -12.9457 -12.9457 -12.9140 -12.9140 -12.9107 -12.9107 -12.8941 -12.8941 -12.8921 -12.8921 -4.4503 -4.4503 -4.3995 -4.3995 1.3109 1.3109 1.7738 1.7738 3.0325 3.0325 3.2981 3.2981 4.3150 4.3150 4.3534 4.3534 6.2980 6.2980 6.3807 6.3807 10.4336 10.4336 10.8143 10.8143 12.6432 12.6432 12.6718 12.6718 k = 0.0000 0.7690 0.6451 ( 4074 PWs) bands (ev): -13.9714 -13.9714 -13.9710 -13.9710 -13.9363 -13.9363 -13.9347 -13.9347 -12.9468 -12.9468 -12.9458 -12.9458 -12.9138 -12.9138 -12.9111 -12.9111 -12.8939 -12.8939 -12.8922 -12.8922 -4.4404 -4.4404 -4.3996 -4.3996 1.3739 1.3739 1.7573 1.7573 3.0229 3.0229 3.2479 3.2479 4.2793 4.2793 4.3111 4.3111 6.3101 6.3101 6.3753 6.3753 10.4564 10.4564 10.7610 10.7610 12.6949 12.6949 12.7221 12.7221 k = 0.0000 0.7690 0.6646 ( 4082 PWs) bands (ev): -13.9714 -13.9714 -13.9711 -13.9711 -13.9361 -13.9361 -13.9349 -13.9349 -12.9467 -12.9467 -12.9460 -12.9460 -12.9135 -12.9135 -12.9115 -12.9115 -12.8936 -12.8936 -12.8924 -12.8924 -4.4315 -4.4315 -4.4007 -4.4007 1.4358 1.4358 1.7313 1.7313 3.0244 3.0244 3.2009 3.2009 4.2521 4.2521 4.2766 4.2766 6.3213 6.3213 6.3697 6.3697 10.4824 10.4824 10.7108 10.7108 12.7365 12.7365 12.7598 12.7598 k = 0.0000 0.7690 0.6841 ( 4074 PWs) bands (ev): -13.9713 -13.9713 -13.9712 -13.9712 -13.9359 -13.9359 -13.9351 -13.9351 -12.9467 -12.9467 -12.9462 -12.9462 -12.9132 -12.9132 -12.9118 -12.9118 -12.8934 -12.8934 -12.8925 -12.8925 -4.4236 -4.4236 -4.4030 -4.4030 1.4957 1.4957 1.6967 1.6967 3.0360 3.0360 3.1575 3.1575 4.2337 4.2337 4.2503 4.2503 6.3316 6.3316 6.3636 6.3636 10.5117 10.5117 10.6640 10.6640 12.7679 12.7679 12.7850 12.7850 k = 0.0000 0.7690 0.7037 ( 4078 PWs) bands (ev): -13.9713 -13.9713 -13.9712 -13.9712 -13.9357 -13.9357 -13.9353 -13.9353 -12.9465 -12.9465 -12.9463 -12.9463 -12.9128 -12.9128 -12.9122 -12.9122 -12.8931 -12.8931 -12.8927 -12.8927 -4.4167 -4.4167 -4.4064 -4.4064 1.5528 1.5528 1.6546 1.6546 3.0564 3.0564 3.1183 3.1183 4.2242 4.2242 4.2326 4.2326 6.3409 6.3409 6.3568 6.3568 10.5445 10.5445 10.6206 10.6206 12.7889 12.7889 12.7979 12.7979 k = 0.0000 0.7690 0.7232 ( 4080 PWs) bands (ev): -13.9713 -13.9713 -13.9713 -13.9713 -13.9355 -13.9355 -13.9355 -13.9355 -12.9464 -12.9464 -12.9464 -12.9464 -12.9125 -12.9125 -12.9125 -12.9125 -12.8929 -12.8929 -12.8929 -12.8929 -4.4110 -4.4110 -4.4110 -4.4110 1.6062 1.6062 1.6062 1.6062 3.0842 3.0842 3.0842 3.0842 4.2239 4.2239 4.2239 4.2239 6.3493 6.3493 6.3493 6.3493 10.5808 10.5808 10.5808 10.5808 12.7991 12.7991 12.7991 12.7991 k = 0.0000 0.7690 0.7232 ( 4080 PWs) bands (ev): -13.9713 -13.9713 -13.9713 -13.9713 -13.9355 -13.9355 -13.9355 -13.9355 -12.9464 -12.9464 -12.9464 -12.9464 -12.9125 -12.9125 -12.9125 -12.9125 -12.8929 -12.8929 -12.8929 -12.8929 -4.4110 -4.4110 -4.4110 -4.4110 1.6062 1.6062 1.6062 1.6062 3.0842 3.0842 3.0842 3.0842 4.2239 4.2239 4.2239 4.2239 6.3493 6.3493 6.3493 6.3493 10.5808 10.5808 10.5808 10.5808 12.7991 12.7991 12.7991 12.7991 k = 0.0189 0.7690 0.7232 ( 4074 PWs) bands (ev): -13.9713 -13.9713 -13.9712 -13.9712 -13.9356 -13.9356 -13.9354 -13.9354 -12.9465 -12.9465 -12.9463 -12.9463 -12.9127 -12.9127 -12.9123 -12.9123 -12.8932 -12.8932 -12.8926 -12.8926 -4.4111 -4.4111 -4.4110 -4.4110 1.6046 1.6046 1.6064 1.6064 3.0808 3.0808 3.0820 3.0820 4.2266 4.2266 4.2334 4.2334 6.3447 6.3447 6.3504 6.3504 10.5753 10.5753 10.5896 10.5896 12.7957 12.7957 12.8027 12.8027 k = 0.0379 0.7690 0.7232 ( 4072 PWs) bands (ev): -13.9714 -13.9714 -13.9712 -13.9712 -13.9356 -13.9356 -13.9354 -13.9354 -12.9466 -12.9466 -12.9462 -12.9462 -12.9130 -12.9130 -12.9120 -12.9120 -12.8936 -12.8936 -12.8923 -12.8923 -4.4111 -4.4111 -4.4111 -4.4111 1.6017 1.6017 1.6053 1.6053 3.0721 3.0721 3.0744 3.0744 4.2412 4.2412 4.2545 4.2545 6.3368 6.3368 6.3482 6.3482 10.5730 10.5730 10.6016 10.6016 12.7926 12.7926 12.8066 12.8066 k = 0.0568 0.7690 0.7232 ( 4074 PWs) bands (ev): -13.9714 -13.9714 -13.9711 -13.9711 -13.9357 -13.9357 -13.9353 -13.9353 -12.9467 -12.9467 -12.9461 -12.9461 -12.9132 -12.9132 -12.9118 -12.9118 -12.8939 -12.8939 -12.8920 -12.8920 -4.4113 -4.4113 -4.4112 -4.4112 1.5974 1.5974 1.6027 1.6027 3.0590 3.0590 3.0621 3.0621 4.2667 4.2667 4.2864 4.2864 6.3256 6.3256 6.3428 6.3428 10.5735 10.5735 10.6165 10.6165 12.7899 12.7899 12.8111 12.8111 k = 0.0758 0.7690 0.7232 ( 4064 PWs) bands (ev): -13.9715 -13.9715 -13.9711 -13.9711 -13.9358 -13.9358 -13.9352 -13.9352 -12.9468 -12.9468 -12.9460 -12.9460 -12.9134 -12.9134 -12.9116 -12.9116 -12.8942 -12.8942 -12.8917 -12.8917 -4.4115 -4.4115 -4.4113 -4.4113 1.5917 1.5917 1.5988 1.5988 3.0427 3.0427 3.0464 3.0464 4.3017 4.3017 4.3276 4.3276 6.3116 6.3116 6.3345 6.3345 10.5764 10.5764 10.6336 10.6336 12.7880 12.7880 12.8164 12.8164 k = 0.0947 0.7690 0.7232 ( 4062 PWs) bands (ev): -13.9715 -13.9715 -13.9710 -13.9710 -13.9358 -13.9358 -13.9352 -13.9352 -12.9469 -12.9469 -12.9459 -12.9459 -12.9136 -12.9136 -12.9114 -12.9114 -12.8945 -12.8945 -12.8914 -12.8914 -4.4117 -4.4117 -4.4115 -4.4115 1.5847 1.5847 1.5933 1.5933 3.0246 3.0246 3.0287 3.0287 4.3445 4.3445 4.3763 4.3763 6.2952 6.2952 6.3240 6.3240 10.5809 10.5809 10.6523 10.6523 12.7871 12.7871 12.8228 12.8228 k = 0.1136 0.7690 0.7232 ( 4060 PWs) bands (ev): -13.9716 -13.9716 -13.9710 -13.9710 -13.9359 -13.9359 -13.9351 -13.9351 -12.9470 -12.9470 -12.9458 -12.9458 -12.9138 -12.9138 -12.9112 -12.9112 -12.8948 -12.8948 -12.8912 -12.8912 -4.4120 -4.4120 -4.4118 -4.4118 1.5763 1.5763 1.5864 1.5864 3.0060 3.0060 3.0102 3.0102 4.3933 4.3933 4.4310 4.4310 6.2771 6.2771 6.3117 6.3117 10.5861 10.5861 10.6716 10.6716 12.7879 12.7879 12.8309 12.8309 k = 0.1326 0.7690 0.7232 ( 4066 PWs) bands (ev): -13.9716 -13.9716 -13.9709 -13.9709 -13.9359 -13.9359 -13.9350 -13.9350 -12.9470 -12.9470 -12.9457 -12.9457 -12.9139 -12.9139 -12.9110 -12.9110 -12.8950 -12.8950 -12.8909 -12.8909 -4.4124 -4.4124 -4.4121 -4.4121 1.5666 1.5666 1.5780 1.5780 2.9881 2.9881 2.9922 2.9922 4.4463 4.4463 4.4896 4.4896 6.2580 6.2580 6.2986 6.2986 10.5910 10.5910 10.6902 10.6902 12.7908 12.7908 12.8411 12.8411 k = 0.1515 0.7690 0.7232 ( 4066 PWs) bands (ev): -13.9716 -13.9716 -13.9709 -13.9709 -13.9360 -13.9360 -13.9350 -13.9350 -12.9471 -12.9471 -12.9456 -12.9456 -12.9141 -12.9141 -12.9108 -12.9108 -12.8953 -12.8953 -12.8907 -12.8907 -4.4129 -4.4129 -4.4126 -4.4126 1.5556 1.5556 1.5682 1.5682 2.9719 2.9719 2.9759 2.9759 4.5016 4.5016 4.5505 4.5505 6.2388 6.2388 6.2853 6.2853 10.5946 10.5946 10.7070 10.7070 12.7964 12.7964 12.8537 12.8537 k = 0.1705 0.7690 0.7232 ( 4074 PWs) bands (ev): -13.9717 -13.9717 -13.9708 -13.9708 -13.9360 -13.9360 -13.9349 -13.9349 -12.9471 -12.9471 -12.9455 -12.9455 -12.9142 -12.9142 -12.9107 -12.9107 -12.8955 -12.8955 -12.8905 -12.8905 -4.4134 -4.4134 -4.4131 -4.4131 1.5434 1.5434 1.5570 1.5570 2.9581 2.9581 2.9620 2.9620 4.5576 4.5576 4.6119 4.6119 6.2204 6.2204 6.2729 6.2729 10.5958 10.5958 10.7206 10.7206 12.8053 12.8053 12.8690 12.8690 k = 0.1894 0.7690 0.7232 ( 4078 PWs) bands (ev): -13.9717 -13.9717 -13.9708 -13.9708 -13.9360 -13.9360 -13.9349 -13.9349 -12.9472 -12.9472 -12.9454 -12.9454 -12.9144 -12.9144 -12.9105 -12.9105 -12.8957 -12.8957 -12.8904 -12.8904 -4.4141 -4.4141 -4.4137 -4.4137 1.5301 1.5301 1.5444 1.5444 2.9474 2.9474 2.9512 2.9512 4.6123 4.6123 4.6721 4.6721 6.2041 6.2041 6.2623 6.2623 10.5938 10.5938 10.7299 10.7299 12.8176 12.8176 12.8870 12.8870 k = 0.2084 0.7690 0.7232 ( 4072 PWs) bands (ev): -13.9717 -13.9717 -13.9708 -13.9708 -13.9361 -13.9361 -13.9349 -13.9349 -12.9472 -12.9472 -12.9454 -12.9454 -12.9145 -12.9145 -12.9104 -12.9104 -12.8958 -12.8958 -12.8903 -12.8903 -4.4149 -4.4149 -4.4145 -4.4145 1.5158 1.5158 1.5307 1.5307 2.9401 2.9401 2.9440 2.9440 4.6643 4.6643 4.7291 4.7291 6.1910 6.1910 6.2548 6.2548 10.5877 10.5877 10.7336 10.7336 12.8332 12.8332 12.9071 12.9071 k = 0.2273 0.7690 0.7232 ( 4070 PWs) bands (ev): -13.9718 -13.9718 -13.9708 -13.9708 -13.9361 -13.9361 -13.9348 -13.9348 -12.9472 -12.9472 -12.9453 -12.9453 -12.9146 -12.9146 -12.9104 -12.9104 -12.8959 -12.8959 -12.8902 -12.8902 -4.4158 -4.4158 -4.4154 -4.4154 1.5008 1.5008 1.5161 1.5161 2.9367 2.9367 2.9407 2.9407 4.7118 4.7118 4.7814 4.7814 6.1823 6.1823 6.2512 6.2512 10.5770 10.5770 10.7309 10.7309 12.8510 12.8510 12.9280 12.9280 k = 0.2462 0.7690 0.7232 ( 4066 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9472 -12.9472 -12.9453 -12.9453 -12.9146 -12.9146 -12.9104 -12.9104 -12.8960 -12.8960 -12.8901 -12.8901 -4.4169 -4.4169 -4.4165 -4.4165 1.4852 1.4852 1.5006 1.5006 2.9372 2.9372 2.9415 2.9415 4.7535 4.7535 4.8272 4.8272 6.1791 6.1791 6.2524 6.2524 10.5616 10.5616 10.7215 10.7215 12.8682 12.8682 12.9471 12.9471 k = 0.2652 0.7690 0.7232 ( 4062 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9471 -12.9471 -12.9452 -12.9452 -12.9147 -12.9147 -12.9104 -12.9104 -12.8960 -12.8960 -12.8900 -12.8900 -4.4181 -4.4181 -4.4177 -4.4177 1.4693 1.4693 1.4847 1.4847 2.9418 2.9418 2.9465 2.9465 4.7882 4.7882 4.8651 4.8651 6.1824 6.1824 6.2590 6.2590 10.5415 10.5415 10.7053 10.7053 12.8804 12.8804 12.9604 12.9604 k = 0.2841 0.7690 0.7232 ( 4060 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9471 -12.9471 -12.9452 -12.9452 -12.9147 -12.9147 -12.9104 -12.9104 -12.8960 -12.8960 -12.8900 -12.8900 -4.4196 -4.4196 -4.4191 -4.4191 1.4533 1.4533 1.4686 1.4686 2.9503 2.9503 2.9556 2.9556 4.8150 4.8150 4.8940 4.8940 6.1925 6.1925 6.2713 6.2713 10.5175 10.5175 10.6831 10.6831 12.8814 12.8814 12.9633 12.9633 k = 0.2841 0.7690 0.7232 ( 4060 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9471 -12.9471 -12.9452 -12.9452 -12.9147 -12.9147 -12.9104 -12.9104 -12.8960 -12.8960 -12.8900 -12.8900 -4.4196 -4.4196 -4.4191 -4.4191 1.4533 1.4533 1.4686 1.4686 2.9503 2.9503 2.9556 2.9556 4.8150 4.8150 4.8940 4.8940 6.1925 6.1925 6.2713 6.2713 10.5175 10.5175 10.6831 10.6831 12.8814 12.8814 12.9633 12.9633 k = 0.2774 0.7507 0.7232 ( 4068 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9472 -12.9472 -12.9452 -12.9452 -12.9147 -12.9147 -12.9103 -12.9103 -12.8961 -12.8961 -12.8900 -12.8900 -4.4156 -4.4156 -4.4152 -4.4152 1.4987 1.4987 1.5148 1.5148 2.9234 2.9234 2.9266 2.9266 4.7504 4.7504 4.8249 4.8249 6.1519 6.1519 6.2264 6.2264 10.5934 10.5934 10.7571 10.7571 12.9001 12.9001 12.9762 12.9762 k = 0.2706 0.7324 0.7232 ( 4072 PWs) bands (ev): -13.9718 -13.9718 -13.9708 -13.9708 -13.9361 -13.9361 -13.9348 -13.9348 -12.9474 -12.9474 -12.9453 -12.9453 -12.9146 -12.9146 -12.9101 -12.9101 -12.8962 -12.8962 -12.8900 -12.8900 -4.4128 -4.4128 -4.4124 -4.4124 1.5395 1.5395 1.5565 1.5565 2.9053 2.9053 2.9065 2.9065 4.6918 4.6918 4.7619 4.7619 6.1109 6.1109 6.1815 6.1815 10.6682 10.6682 10.8302 10.8302 12.9178 12.9178 12.9913 12.9913 k = 0.2638 0.7141 0.7232 ( 4080 PWs) bands (ev): -13.9717 -13.9717 -13.9708 -13.9708 -13.9361 -13.9361 -13.9348 -13.9348 -12.9475 -12.9475 -12.9453 -12.9453 -12.9145 -12.9145 -12.9100 -12.9100 -12.8963 -12.8963 -12.8901 -12.8901 -4.4111 -4.4111 -4.4107 -4.4107 1.5750 1.5750 1.5927 1.5927 2.8958 2.8958 2.8968 2.8968 4.6399 4.6399 4.7056 4.7056 6.0697 6.0697 6.1366 6.1366 10.7419 10.7419 10.9023 10.9023 12.9342 12.9342 13.0081 13.0081 k = 0.2571 0.6958 0.7232 ( 4080 PWs) bands (ev): -13.9717 -13.9717 -13.9708 -13.9708 -13.9362 -13.9362 -13.9348 -13.9348 -12.9476 -12.9476 -12.9452 -12.9452 -12.9144 -12.9144 -12.9099 -12.9099 -12.8964 -12.8964 -12.8901 -12.8901 -4.4105 -4.4105 -4.4102 -4.4102 1.6043 1.6043 1.6225 1.6225 2.8949 2.8949 2.8981 2.8981 4.5950 4.5950 4.6564 4.6564 6.0284 6.0284 6.0918 6.0918 10.8142 10.8142 10.9734 10.9734 12.9483 12.9483 13.0254 13.0254 k = 0.2503 0.6775 0.7232 ( 4076 PWs) bands (ev): -13.9717 -13.9717 -13.9708 -13.9708 -13.9362 -13.9362 -13.9349 -13.9349 -12.9476 -12.9476 -12.9452 -12.9452 -12.9143 -12.9143 -12.9098 -12.9098 -12.8965 -12.8965 -12.8902 -12.8902 -4.4111 -4.4111 -4.4108 -4.4108 1.6267 1.6267 1.6454 1.6454 2.9041 2.9041 2.9095 2.9095 4.5577 4.5577 4.6147 4.6147 5.9871 5.9871 6.0472 6.0472 10.8850 10.8850 11.0434 11.0434 12.9586 12.9586 13.0419 13.0419 k = 0.2435 0.6592 0.7232 ( 4080 PWs) bands (ev): -13.9716 -13.9716 -13.9709 -13.9709 -13.9362 -13.9362 -13.9349 -13.9349 -12.9477 -12.9477 -12.9452 -12.9452 -12.9142 -12.9142 -12.9098 -12.9098 -12.8966 -12.8966 -12.8903 -12.8903 -4.4129 -4.4129 -4.4127 -4.4127 1.6421 1.6421 1.6609 1.6609 2.9233 2.9233 2.9310 2.9310 4.5283 4.5283 4.5808 4.5808 5.9459 5.9459 6.0028 6.0028 10.9543 10.9543 11.1120 11.1120 12.9633 12.9633 13.0558 13.0558 k = 0.2368 0.6409 0.7232 ( 4076 PWs) bands (ev): -13.9716 -13.9716 -13.9709 -13.9709 -13.9362 -13.9362 -13.9349 -13.9349 -12.9477 -12.9477 -12.9451 -12.9451 -12.9141 -12.9141 -12.9097 -12.9097 -12.8967 -12.8967 -12.8904 -12.8904 -4.4159 -4.4159 -4.4157 -4.4157 1.6504 1.6504 1.6692 1.6692 2.9521 2.9521 2.9619 2.9619 4.5074 4.5074 4.5551 4.5551 5.9051 5.9051 5.9589 5.9589 11.0216 11.0216 11.1792 11.1792 12.9602 12.9602 13.0651 13.0651 k = 0.2300 0.6226 0.7232 ( 4076 PWs) bands (ev): -13.9715 -13.9715 -13.9709 -13.9709 -13.9362 -13.9362 -13.9349 -13.9349 -12.9478 -12.9478 -12.9451 -12.9451 -12.9140 -12.9140 -12.9096 -12.9096 -12.8968 -12.8968 -12.8905 -12.8905 -4.4200 -4.4200 -4.4198 -4.4198 1.6519 1.6519 1.6704 1.6704 2.9897 2.9897 3.0017 3.0017 4.4953 4.4953 4.5379 4.5379 5.8649 5.8649 5.9155 5.9155 11.0867 11.0867 11.2446 11.2446 12.9475 12.9475 13.0675 13.0675 k = 0.2232 0.6042 0.7232 ( 4072 PWs) bands (ev): -13.9715 -13.9715 -13.9709 -13.9709 -13.9363 -13.9363 -13.9350 -13.9350 -12.9478 -12.9478 -12.9450 -12.9450 -12.9139 -12.9139 -12.9096 -12.9096 -12.8969 -12.8969 -12.8906 -12.8906 -4.4252 -4.4252 -4.4251 -4.4251 1.6473 1.6473 1.6652 1.6652 3.0352 3.0352 3.0494 3.0494 4.4923 4.4923 4.5295 4.5295 5.8254 5.8254 5.8729 5.8729 11.1491 11.1491 11.3079 11.3079 12.9238 12.9238 13.0609 13.0609 k = 0.2165 0.5859 0.7232 ( 4068 PWs) bands (ev): -13.9714 -13.9714 -13.9709 -13.9709 -13.9363 -13.9363 -13.9350 -13.9350 -12.9478 -12.9478 -12.9449 -12.9449 -12.9138 -12.9138 -12.9095 -12.9095 -12.8970 -12.8970 -12.8907 -12.8907 -4.4315 -4.4315 -4.4314 -4.4314 1.6371 1.6371 1.6542 1.6542 3.0873 3.0873 3.1038 3.1038 4.4987 4.4987 4.5301 4.5301 5.7870 5.7870 5.8311 5.8311 11.2081 11.2081 11.3685 11.3685 12.8884 12.8884 13.0435 13.0435 k = 0.2097 0.5676 0.7232 ( 4060 PWs) bands (ev): -13.9713 -13.9713 -13.9709 -13.9709 -13.9363 -13.9363 -13.9350 -13.9350 -12.9478 -12.9478 -12.9448 -12.9448 -12.9137 -12.9137 -12.9095 -12.9095 -12.8971 -12.8971 -12.8909 -12.8909 -4.4388 -4.4388 -4.4388 -4.4388 1.6222 1.6222 1.6384 1.6384 3.1449 3.1449 3.1638 3.1638 4.5147 4.5147 4.5397 4.5397 5.7499 5.7499 5.7905 5.7905 11.2630 11.2630 11.4257 11.4257 12.8412 12.8412 13.0145 13.0145 k = 0.2029 0.5493 0.7232 ( 4048 PWs) bands (ev): -13.9713 -13.9713 -13.9708 -13.9708 -13.9363 -13.9363 -13.9351 -13.9351 -12.9477 -12.9477 -12.9447 -12.9447 -12.9136 -12.9136 -12.9095 -12.9095 -12.8972 -12.8972 -12.8911 -12.8911 -4.4471 -4.4471 -4.4471 -4.4471 1.6033 1.6033 1.6185 1.6185 3.2070 3.2070 3.2285 3.2285 4.5404 4.5404 4.5585 4.5585 5.7145 5.7145 5.7512 5.7512 11.3127 11.3127 11.4785 11.4785 12.7831 12.7831 12.9738 12.9738 k = 0.1962 0.5310 0.7232 ( 4060 PWs) bands (ev): -13.9712 -13.9712 -13.9708 -13.9708 -13.9364 -13.9364 -13.9351 -13.9351 -12.9477 -12.9477 -12.9445 -12.9445 -12.9135 -12.9135 -12.9094 -12.9094 -12.8973 -12.8973 -12.8913 -12.8913 -4.4563 -4.4563 -4.4563 -4.4563 1.5810 1.5810 1.5951 1.5951 3.2725 3.2725 3.2969 3.2969 4.5758 4.5758 4.5862 4.5862 5.6811 5.6811 5.7135 5.7135 11.3558 11.3558 11.5255 11.5255 12.7153 12.7153 12.9223 12.9223 k = 0.1894 0.5127 0.7232 ( 4052 PWs) bands (ev): -13.9711 -13.9711 -13.9708 -13.9708 -13.9364 -13.9364 -13.9352 -13.9352 -12.9476 -12.9476 -12.9444 -12.9444 -12.9133 -12.9133 -12.9094 -12.9094 -12.8974 -12.8974 -12.8915 -12.8915 -4.4664 -4.4664 -4.4663 -4.4663 1.5559 1.5559 1.5690 1.5690 3.3406 3.3406 3.3681 3.3681 4.6209 4.6209 4.6225 4.6225 5.6503 5.6503 5.6776 5.6776 11.3906 11.3906 11.5647 11.5647 12.6401 12.6401 12.8619 12.8619 k = 0.1827 0.4944 0.7232 ( 4048 PWs) bands (ev): -13.9711 -13.9711 -13.9708 -13.9708 -13.9364 -13.9364 -13.9352 -13.9352 -12.9475 -12.9475 -12.9443 -12.9443 -12.9132 -12.9132 -12.9094 -12.9094 -12.8975 -12.8975 -12.8917 -12.8917 -4.4772 -4.4772 -4.4771 -4.4771 1.5287 1.5287 1.5406 1.5406 3.4106 3.4106 3.4414 3.4414 4.6669 4.6669 4.6752 4.6752 5.6227 5.6227 5.6440 5.6440 11.4146 11.4146 11.5931 11.5931 12.5602 12.5602 12.7950 12.7950 k = 0.1759 0.4761 0.7232 ( 4040 PWs) bands (ev): -13.9710 -13.9710 -13.9707 -13.9707 -13.9365 -13.9365 -13.9353 -13.9353 -12.9474 -12.9474 -12.9441 -12.9441 -12.9131 -12.9131 -12.9094 -12.9094 -12.8976 -12.8976 -12.8919 -12.8919 -4.4886 -4.4886 -4.4886 -4.4886 1.4997 1.4997 1.5106 1.5106 3.4820 3.4820 3.5162 3.5162 4.7187 4.7187 4.7385 4.7385 5.5992 5.5992 5.6130 5.6130 11.4253 11.4253 11.6070 11.6070 12.4793 12.4793 12.7244 12.7244 k = 0.1691 0.4578 0.7232 ( 4040 PWs) bands (ev): -13.9709 -13.9709 -13.9707 -13.9707 -13.9365 -13.9365 -13.9354 -13.9354 -12.9473 -12.9473 -12.9440 -12.9440 -12.9129 -12.9129 -12.9094 -12.9094 -12.8977 -12.8977 -12.8921 -12.8921 -4.5007 -4.5007 -4.5006 -4.5006 1.4694 1.4694 1.4793 1.4793 3.5542 3.5542 3.5921 3.5921 4.7767 4.7767 4.8100 4.8100 5.5808 5.5808 5.5852 5.5852 11.4194 11.4194 11.6013 11.6013 12.4015 12.4015 12.6525 12.6525 k = 0.1624 0.4395 0.7232 ( 4048 PWs) bands (ev): -13.9708 -13.9708 -13.9707 -13.9707 -13.9365 -13.9365 -13.9354 -13.9354 -12.9472 -12.9472 -12.9439 -12.9439 -12.9128 -12.9128 -12.9094 -12.9094 -12.8978 -12.8978 -12.8924 -12.8924 -4.5132 -4.5132 -4.5131 -4.5131 1.4382 1.4382 1.4471 1.4471 3.6269 3.6269 3.6685 3.6685 4.8393 4.8393 4.8890 4.8890 5.5613 5.5613 5.5691 5.5691 11.3941 11.3941 11.5713 11.5713 12.3303 12.3303 12.5808 12.5808 k = 0.1556 0.4211 0.7232 ( 4048 PWs) bands (ev): -13.9707 -13.9707 -13.9706 -13.9706 -13.9366 -13.9366 -13.9355 -13.9355 -12.9471 -12.9471 -12.9437 -12.9437 -12.9126 -12.9126 -12.9095 -12.9095 -12.8979 -12.8979 -12.8926 -12.8926 -4.5261 -4.5261 -4.5260 -4.5260 1.4065 1.4065 1.4144 1.4144 3.6996 3.6996 3.7450 3.7450 4.9044 4.9044 4.9742 4.9742 5.5424 5.5424 5.5661 5.5661 11.3474 11.3474 11.5139 11.5139 12.2664 12.2664 12.5083 12.5083 k = 0.1488 0.4028 0.7232 ( 4044 PWs) bands (ev): -13.9707 -13.9707 -13.9706 -13.9706 -13.9366 -13.9366 -13.9355 -13.9355 -12.9470 -12.9470 -12.9436 -12.9436 -12.9125 -12.9125 -12.9095 -12.9095 -12.8980 -12.8980 -12.8929 -12.8929 -4.5393 -4.5393 -4.5392 -4.5392 1.3745 1.3745 1.3816 1.3816 3.7720 3.7720 3.8211 3.8211 4.9692 4.9692 5.0638 5.0638 5.5303 5.5303 5.5746 5.5746 11.2789 11.2789 11.4298 11.4298 12.2060 12.2060 12.4313 12.4313 k = 0.1421 0.3845 0.7232 ( 4044 PWs) bands (ev): -13.9706 -13.9706 -13.9705 -13.9705 -13.9366 -13.9366 -13.9356 -13.9356 -12.9468 -12.9468 -12.9435 -12.9435 -12.9123 -12.9123 -12.9095 -12.9095 -12.8980 -12.8980 -12.8931 -12.8931 -4.5527 -4.5527 -4.5525 -4.5525 1.3424 1.3424 1.3487 1.3487 3.8437 3.8437 3.8964 3.8964 5.0307 5.0307 5.1544 5.1544 5.5281 5.5281 5.5977 5.5977 11.1897 11.1897 11.3229 11.3229 12.1418 12.1418 12.3444 12.3444 k = 0.1353 0.3662 0.7232 ( 4042 PWs) bands (ev): -13.9705 -13.9705 -13.9705 -13.9705 -13.9366 -13.9366 -13.9357 -13.9357 -12.9467 -12.9467 -12.9433 -12.9433 -12.9122 -12.9122 -12.9095 -12.9095 -12.8981 -12.8981 -12.8934 -12.8934 -4.5662 -4.5662 -4.5660 -4.5660 1.3106 1.3106 1.3162 1.3162 3.9141 3.9141 3.9702 3.9702 5.0860 5.0860 5.2401 5.2401 5.5421 5.5421 5.6384 5.6384 11.0824 11.0824 11.1983 11.1983 12.0663 12.0663 12.2435 12.2435 k = 0.1285 0.3479 0.7232 ( 4030 PWs) bands (ev): -13.9704 -13.9704 -13.9704 -13.9704 -13.9367 -13.9367 -13.9357 -13.9357 -12.9465 -12.9465 -12.9432 -12.9432 -12.9120 -12.9120 -12.9096 -12.9096 -12.8982 -12.8982 -12.8936 -12.8936 -4.5798 -4.5798 -4.5795 -4.5795 1.2793 1.2793 1.2842 1.2842 3.9825 3.9825 4.0416 4.0416 5.1341 5.1341 5.3111 5.3111 5.5820 5.5820 5.6981 5.6981 10.9604 10.9604 11.0607 11.0607 11.9752 11.9752 12.1278 12.1278 k = 0.1218 0.3296 0.7232 ( 4018 PWs) bands (ev): -13.9704 -13.9704 -13.9703 -13.9703 -13.9367 -13.9367 -13.9358 -13.9358 -12.9464 -12.9464 -12.9431 -12.9431 -12.9119 -12.9119 -12.9096 -12.9096 -12.8982 -12.8982 -12.8939 -12.8939 -4.5932 -4.5932 -4.5930 -4.5930 1.2486 1.2486 1.2530 1.2530 4.0483 4.0483 4.1099 4.1099 5.1760 5.1760 5.3611 5.3611 5.6542 5.6542 5.7760 5.7760 10.8267 10.8267 10.9139 10.9139 11.8679 11.8679 11.9990 11.9990 k = 0.1150 0.3113 0.7232 ( 4026 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9367 -13.9367 -13.9359 -13.9359 -12.9462 -12.9462 -12.9430 -12.9430 -12.9117 -12.9117 -12.9096 -12.9096 -12.8983 -12.8983 -12.8942 -12.8942 -4.6064 -4.6064 -4.6062 -4.6062 1.2188 1.2188 1.2226 1.2226 4.1106 4.1106 4.1739 4.1739 5.2150 5.2150 5.3963 5.3963 5.7531 5.7531 5.8694 5.8694 10.6843 10.6843 10.7608 10.7608 11.7462 11.7462 11.8600 11.8600 k = 0.1082 0.2930 0.7232 ( 4036 PWs) bands (ev): -13.9703 -13.9703 -13.9702 -13.9702 -13.9368 -13.9368 -13.9359 -13.9359 -12.9460 -12.9460 -12.9429 -12.9429 -12.9116 -12.9116 -12.9096 -12.9096 -12.8983 -12.8983 -12.8944 -12.8944 -4.6194 -4.6194 -4.6192 -4.6192 1.1900 1.1900 1.1933 1.1933 4.1687 4.1687 4.2326 4.2326 5.2545 5.2545 5.4268 5.4268 5.8684 5.8684 5.9752 5.9752 10.5358 10.5358 10.6035 10.6035 11.6131 11.6131 11.7132 11.7132 k = 0.1015 0.2747 0.7232 ( 4032 PWs) bands (ev): -13.9702 -13.9702 -13.9701 -13.9701 -13.9368 -13.9368 -13.9360 -13.9360 -12.9458 -12.9458 -12.9428 -12.9428 -12.9114 -12.9114 -12.9097 -12.9097 -12.8983 -12.8983 -12.8947 -12.8947 -4.6320 -4.6320 -4.6318 -4.6318 1.1623 1.1623 1.1652 1.1652 4.2216 4.2216 4.2849 4.2849 5.2978 5.2978 5.4596 5.4596 5.9934 5.9934 6.0906 6.0906 10.3833 10.3833 10.4438 10.4438 11.4711 11.4711 11.5605 11.5605 k = 0.0947 0.2563 0.7232 ( 4028 PWs) bands (ev): -13.9702 -13.9702 -13.9701 -13.9701 -13.9368 -13.9368 -13.9361 -13.9361 -12.9457 -12.9457 -12.9428 -12.9428 -12.9113 -12.9113 -12.9097 -12.9097 -12.8984 -12.8984 -12.8950 -12.8950 -4.6442 -4.6442 -4.6440 -4.6440 1.1359 1.1359 1.1384 1.1384 4.2689 4.2689 4.3302 4.3302 5.3470 5.3470 5.4980 5.4980 6.1247 6.1247 6.2134 6.2134 10.2286 10.2286 10.2833 10.2833 11.3225 11.3225 11.4034 11.4034 k = 0.0879 0.2380 0.7232 ( 4032 PWs) bands (ev): -13.9701 -13.9701 -13.9700 -13.9700 -13.9368 -13.9368 -13.9361 -13.9361 -12.9455 -12.9455 -12.9427 -12.9427 -12.9111 -12.9111 -12.9097 -12.9097 -12.8984 -12.8984 -12.8952 -12.8952 -4.6560 -4.6560 -4.6557 -4.6557 1.1109 1.1109 1.1130 1.1130 4.3100 4.3100 4.3681 4.3681 5.4033 5.4033 5.5434 5.5434 6.2603 6.2603 6.3417 6.3417 10.0734 10.0734 10.1232 10.1232 11.1690 11.1690 11.2431 11.2431 k = 0.0812 0.2197 0.7232 ( 4024 PWs) bands (ev): -13.9701 -13.9701 -13.9700 -13.9700 -13.9368 -13.9368 -13.9362 -13.9362 -12.9453 -12.9453 -12.9427 -12.9427 -12.9110 -12.9110 -12.9097 -12.9097 -12.8984 -12.8984 -12.8955 -12.8955 -4.6671 -4.6671 -4.6669 -4.6669 1.0874 1.0874 1.0892 1.0892 4.3449 4.3449 4.3988 4.3988 5.4672 5.4672 5.5962 5.5962 6.3988 6.3988 6.4740 6.4740 9.9192 9.9192 9.9650 9.9650 11.0122 11.0122 11.0806 11.0806 k = 0.0744 0.2014 0.7232 ( 4024 PWs) bands (ev): -13.9700 -13.9700 -13.9699 -13.9699 -13.9368 -13.9368 -13.9362 -13.9362 -12.9451 -12.9451 -12.9427 -12.9427 -12.9109 -12.9109 -12.9097 -12.9097 -12.8984 -12.8984 -12.8957 -12.8957 -4.6776 -4.6776 -4.6774 -4.6774 1.0655 1.0655 1.0670 1.0670 4.3739 4.3739 4.4228 4.4228 5.5380 5.5380 5.6561 5.6561 6.5390 6.5390 6.6089 6.6089 9.7675 9.7675 9.8097 9.8097 10.8534 10.8534 10.9169 10.9169 k = 0.0676 0.1831 0.7232 ( 4020 PWs) bands (ev): -13.9700 -13.9700 -13.9699 -13.9699 -13.9368 -13.9368 -13.9363 -13.9363 -12.9449 -12.9449 -12.9427 -12.9427 -12.9107 -12.9107 -12.9097 -12.9097 -12.8984 -12.8984 -12.8959 -12.8959 -4.6874 -4.6874 -4.6872 -4.6872 1.0452 1.0452 1.0465 1.0465 4.3974 4.3974 4.4410 4.4410 5.6148 5.6148 5.7222 5.7222 6.6799 6.6799 6.7451 6.7451 9.6197 9.6197 9.6589 9.6589 10.6937 10.6937 10.7529 10.7529 k = 0.0609 0.1648 0.7232 ( 4026 PWs) bands (ev): -13.9699 -13.9699 -13.9698 -13.9698 -13.9368 -13.9368 -13.9364 -13.9364 -12.9448 -12.9448 -12.9427 -12.9427 -12.9106 -12.9106 -12.9098 -12.9098 -12.8983 -12.8983 -12.8962 -12.8962 -4.6964 -4.6964 -4.6962 -4.6962 1.0266 1.0266 1.0277 1.0277 4.4161 4.4161 4.4542 4.4542 5.6960 5.6960 5.7929 5.7929 6.8202 6.8202 6.8813 6.8813 9.4777 9.4777 9.5139 9.5139 10.5344 10.5344 10.5898 10.5898 k = 0.0541 0.1465 0.7232 ( 4030 PWs) bands (ev): -13.9699 -13.9699 -13.9698 -13.9698 -13.9368 -13.9368 -13.9364 -13.9364 -12.9446 -12.9446 -12.9427 -12.9427 -12.9105 -12.9105 -12.9098 -12.9098 -12.8983 -12.8983 -12.8964 -12.8964 -4.7046 -4.7046 -4.7044 -4.7044 1.0099 1.0099 1.0108 1.0108 4.4307 4.4307 4.4635 4.4635 5.7799 5.7799 5.8666 5.8666 6.9584 6.9584 7.0158 7.0158 9.3433 9.3433 9.3767 9.3767 10.3768 10.3768 10.4286 10.4286 k = 0.0474 0.1282 0.7232 ( 4030 PWs) bands (ev): -13.9699 -13.9699 -13.9698 -13.9698 -13.9368 -13.9368 -13.9365 -13.9365 -12.9444 -12.9444 -12.9427 -12.9427 -12.9104 -12.9104 -12.9098 -12.9098 -12.8983 -12.8983 -12.8966 -12.8966 -4.7119 -4.7119 -4.7118 -4.7118 0.9950 0.9950 0.9958 0.9958 4.4420 4.4420 4.4698 4.4698 5.8644 5.8644 5.9411 5.9411 7.0929 7.0929 7.1465 7.1465 9.2187 9.2187 9.2492 9.2492 10.2227 10.2227 10.2708 10.2708 k = 0.0406 0.1099 0.7232 ( 4038 PWs) bands (ev): -13.9698 -13.9698 -13.9697 -13.9697 -13.9368 -13.9368 -13.9365 -13.9365 -12.9442 -12.9442 -12.9428 -12.9428 -12.9103 -12.9103 -12.9098 -12.9098 -12.8982 -12.8982 -12.8968 -12.8968 -4.7184 -4.7184 -4.7183 -4.7183 0.9820 0.9820 0.9826 0.9826 4.4506 4.4506 4.4737 4.4737 5.9472 5.9472 6.0141 6.0141 7.2213 7.2213 7.2709 7.2709 9.1065 9.1065 9.1339 9.1339 10.0739 10.0739 10.1183 10.1183 k = 0.0338 0.0916 0.7232 ( 4026 PWs) bands (ev): -13.9698 -13.9698 -13.9697 -13.9697 -13.9368 -13.9368 -13.9366 -13.9366 -12.9441 -12.9441 -12.9428 -12.9428 -12.9102 -12.9102 -12.9098 -12.9098 -12.8982 -12.8982 -12.8970 -12.8970 -4.7239 -4.7239 -4.7238 -4.7238 0.9710 0.9710 0.9715 0.9715 4.4572 4.4572 4.4759 4.4759 6.0259 6.0259 6.0829 6.0829 7.3407 7.3407 7.3857 7.3857 9.0095 9.0095 9.0337 9.0337 9.9333 9.9333 9.9736 9.9736 k = 0.0271 0.0732 0.7232 ( 4030 PWs) bands (ev): -13.9698 -13.9698 -13.9697 -13.9697 -13.9368 -13.9368 -13.9366 -13.9366 -12.9439 -12.9439 -12.9429 -12.9429 -12.9102 -12.9102 -12.9098 -12.9098 -12.8981 -12.8981 -12.8971 -12.8971 -4.7285 -4.7285 -4.7284 -4.7284 0.9619 0.9619 0.9623 0.9623 4.4622 4.4622 4.4768 4.4768 6.0977 6.0977 6.1444 6.1444 7.4476 7.4476 7.4869 7.4869 8.9307 8.9307 8.9514 8.9514 9.8047 9.8047 9.8400 9.8400 k = 0.0203 0.0549 0.7232 ( 4014 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9368 -13.9368 -13.9366 -13.9366 -12.9438 -12.9438 -12.9430 -12.9430 -12.9101 -12.9101 -12.9099 -12.9099 -12.8980 -12.8980 -12.8973 -12.8973 -4.7320 -4.7320 -4.7320 -4.7320 0.9548 0.9548 0.9551 0.9551 4.4661 4.4661 4.4768 4.4768 6.1596 6.1596 6.1955 6.1955 7.5378 7.5378 7.5698 7.5698 8.8726 8.8726 8.8892 8.8892 9.6931 9.6931 9.7223 9.7223 k = 0.0135 0.0366 0.7232 ( 4010 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9368 -13.9368 -13.9367 -13.9367 -12.9436 -12.9436 -12.9431 -12.9431 -12.9100 -12.9100 -12.9099 -12.9099 -12.8979 -12.8979 -12.8974 -12.8974 -4.7346 -4.7346 -4.7346 -4.7346 0.9498 0.9498 0.9499 0.9499 4.4691 4.4691 4.4761 4.4761 6.2086 6.2086 6.2330 6.2330 7.6072 7.6072 7.6301 7.6301 8.8355 8.8355 8.8475 8.8475 9.6057 9.6057 9.6270 9.6270 k = 0.0068 0.0183 0.7232 ( 4010 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9368 -13.9368 -13.9367 -13.9367 -12.9435 -12.9435 -12.9432 -12.9432 -12.9100 -12.9100 -12.9099 -12.9099 -12.8978 -12.8978 -12.8976 -12.8976 -4.7361 -4.7361 -4.7361 -4.7361 0.9467 0.9467 0.9468 0.9468 4.4715 4.4715 4.4750 4.4750 6.2419 6.2419 6.2542 6.2542 7.6527 7.6527 7.6647 7.6647 8.8175 8.8175 8.8239 8.8239 9.5507 9.5507 9.5621 9.5621 k = 0.0000 0.0000 0.7232 ( 4014 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9367 -13.9367 -13.9367 -13.9367 -12.9433 -12.9433 -12.9433 -12.9433 -12.9099 -12.9099 -12.9099 -12.9099 -12.8977 -12.8977 -12.8977 -12.8977 -4.7366 -4.7366 -4.7366 -4.7366 0.9458 0.9458 0.9458 0.9458 4.4734 4.4734 4.4734 4.4734 6.2574 6.2574 6.2574 6.2574 7.6722 7.6722 7.6722 7.6722 8.8144 8.8144 8.8144 8.8144 9.5353 9.5353 9.5353 9.5353 k = 0.0000 0.0000 0.7232 ( 4014 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9367 -13.9367 -13.9367 -13.9367 -12.9433 -12.9433 -12.9433 -12.9433 -12.9099 -12.9099 -12.9099 -12.9099 -12.8977 -12.8977 -12.8977 -12.8977 -4.7366 -4.7366 -4.7366 -4.7366 0.9458 0.9458 0.9458 0.9458 4.4734 4.4734 4.4734 4.4734 6.2574 6.2574 6.2574 6.2574 7.6722 7.6722 7.6722 7.6722 8.8144 8.8144 8.8144 8.8144 9.5353 9.5353 9.5353 9.5353 k = 0.0000 0.0000 0.7037 ( 4022 PWs) bands (ev): -13.9698 -13.9698 -13.9696 -13.9696 -13.9369 -13.9369 -13.9366 -13.9366 -12.9434 -12.9434 -12.9433 -12.9433 -12.9104 -12.9104 -12.9095 -12.9095 -12.8981 -12.8981 -12.8973 -12.8973 -4.7746 -4.7746 -4.6995 -4.6995 0.9202 0.9202 0.9753 0.9753 4.4051 4.4051 4.5414 4.5414 6.2218 6.2218 6.2883 6.2883 7.6333 7.6333 7.6992 7.6992 8.7956 8.7956 8.8502 8.8502 9.5029 9.5029 9.5779 9.5779 k = 0.0000 0.0000 0.6841 ( 4026 PWs) bands (ev): -13.9699 -13.9699 -13.9695 -13.9695 -13.9371 -13.9371 -13.9364 -13.9364 -12.9435 -12.9435 -12.9432 -12.9432 -12.9109 -12.9109 -12.9090 -12.9090 -12.8985 -12.8985 -12.8969 -12.8969 -4.8131 -4.8131 -4.6631 -4.6631 0.8986 0.8986 1.0087 1.0087 4.3367 4.3367 4.6086 4.6086 6.1821 6.1821 6.3141 6.3141 7.5853 7.5853 7.7120 7.7120 8.7957 8.7957 8.9004 8.9004 9.4811 9.4811 9.6299 9.6299 k = 0.0000 0.0000 0.6646 ( 4026 PWs) bands (ev): -13.9700 -13.9700 -13.9694 -13.9694 -13.9372 -13.9372 -13.9363 -13.9363 -12.9436 -12.9436 -12.9431 -12.9431 -12.9113 -12.9113 -12.9085 -12.9085 -12.8989 -12.8989 -12.8966 -12.8966 -4.8520 -4.8520 -4.6277 -4.6277 0.8814 0.8814 1.0458 1.0458 4.2685 4.2685 4.6747 4.6747 6.1388 6.1388 6.3344 6.3344 7.5311 7.5311 7.7099 7.7099 8.8152 8.8152 8.9622 8.9622 9.4704 9.4704 9.6908 9.6908 k = 0.0000 0.0000 0.6451 ( 4030 PWs) bands (ev): -13.9701 -13.9701 -13.9694 -13.9694 -13.9374 -13.9374 -13.9361 -13.9361 -12.9437 -12.9437 -12.9430 -12.9430 -12.9118 -12.9118 -12.9081 -12.9081 -12.8994 -12.8994 -12.8962 -12.8962 -4.8913 -4.8913 -4.5934 -4.5934 0.8684 0.8684 1.0863 1.0863 4.2007 4.2007 4.7391 4.7391 6.0926 6.0926 6.3490 6.3490 7.4733 7.4733 7.6938 7.6938 8.8530 8.8530 9.0336 9.0336 9.4713 9.4713 9.7599 9.7599 k = 0.0000 0.0000 0.6255 ( 4038 PWs) bands (ev): -13.9701 -13.9701 -13.9693 -13.9693 -13.9376 -13.9376 -13.9360 -13.9360 -12.9438 -12.9438 -12.9429 -12.9429 -12.9122 -12.9122 -12.9076 -12.9076 -12.8998 -12.8998 -12.8959 -12.8959 -4.9307 -4.9307 -4.5602 -4.5602 0.8599 0.8599 1.1301 1.1301 4.1337 4.1337 4.8015 4.8015 6.0439 6.0439 6.3578 6.3578 7.4140 7.4140 7.6656 7.6656 8.9067 8.9067 9.1127 9.1127 9.4839 9.4839 9.8366 9.8366 k = 0.0000 0.0000 0.6060 ( 4032 PWs) bands (ev): -13.9702 -13.9702 -13.9692 -13.9692 -13.9378 -13.9378 -13.9359 -13.9359 -12.9439 -12.9439 -12.9429 -12.9429 -12.9127 -12.9127 -12.9071 -12.9071 -12.9003 -12.9003 -12.8956 -12.8956 -4.9703 -4.9703 -4.5284 -4.5284 0.8559 0.8559 1.1770 1.1770 4.0675 4.0675 4.8612 4.8612 5.9933 5.9933 6.3607 6.3607 7.3548 7.3548 7.6280 7.6280 8.9734 8.9734 9.1980 9.1980 9.5085 9.5085 9.9203 9.9203 k = 0.0000 0.0000 0.5864 ( 4040 PWs) bands (ev): -13.9703 -13.9703 -13.9691 -13.9691 -13.9380 -13.9380 -13.9358 -13.9358 -12.9440 -12.9440 -12.9428 -12.9428 -12.9131 -12.9131 -12.9067 -12.9067 -12.9008 -12.9008 -12.8953 -12.8953 -5.0098 -5.0098 -4.4979 -4.4979 0.8564 0.8564 1.2267 1.2267 4.0024 4.0024 4.9175 4.9175 5.9414 5.9414 6.3578 6.3578 7.2973 7.2973 7.5836 7.5836 9.0502 9.0502 9.2887 9.2887 9.5449 9.5449 10.0105 10.0105 k = 0.0000 0.0000 0.5669 ( 4040 PWs) bands (ev): -13.9704 -13.9704 -13.9691 -13.9691 -13.9382 -13.9382 -13.9357 -13.9357 -12.9441 -12.9441 -12.9427 -12.9427 -12.9135 -12.9135 -12.9062 -12.9062 -12.9012 -12.9012 -12.8950 -12.8950 -5.0490 -5.0490 -4.4688 -4.4688 0.8615 0.8615 1.2791 1.2791 3.9385 3.9385 4.9698 4.9698 5.8886 5.8886 6.3496 6.3496 7.2427 7.2427 7.5345 7.5345 9.1347 9.1347 9.3838 9.3838 9.5931 9.5931 10.1066 10.1066 k = 0.0000 0.0000 0.5473 ( 4042 PWs) bands (ev): -13.9705 -13.9705 -13.9690 -13.9690 -13.9384 -13.9384 -13.9356 -13.9356 -12.9441 -12.9441 -12.9427 -12.9427 -12.9139 -12.9139 -12.9058 -12.9058 -12.9017 -12.9017 -12.8947 -12.8947 -5.0880 -5.0880 -4.4412 -4.4412 0.8711 0.8711 1.3340 1.3340 3.8760 3.8760 5.0174 5.0174 5.8355 5.8355 6.3363 6.3363 7.1918 7.1918 7.4826 7.4826 9.2249 9.2249 9.4828 9.4828 9.6528 9.6528 10.2081 10.2081 k = 0.0000 0.0000 0.5278 ( 4038 PWs) bands (ev): -13.9706 -13.9706 -13.9690 -13.9690 -13.9385 -13.9385 -13.9355 -13.9355 -12.9442 -12.9442 -12.9426 -12.9426 -12.9143 -12.9143 -12.9054 -12.9054 -12.9022 -12.9022 -12.8944 -12.8944 -5.1266 -5.1266 -4.4152 -4.4152 0.8853 0.8853 1.3910 1.3910 3.8150 3.8150 5.0593 5.0593 5.7824 5.7824 6.3184 6.3184 7.1456 7.1456 7.4290 7.4290 9.3192 9.3192 9.5851 9.5851 9.7235 9.7235 10.3146 10.3146 k = 0.0000 0.0000 0.5082 ( 4032 PWs) bands (ev): -13.9707 -13.9707 -13.9689 -13.9689 -13.9387 -13.9387 -13.9354 -13.9354 -12.9443 -12.9443 -12.9426 -12.9426 -12.9147 -12.9147 -12.9050 -12.9050 -12.9027 -12.9027 -12.8941 -12.8941 -5.1646 -5.1646 -4.3908 -4.3908 0.9040 0.9040 1.4500 1.4500 3.7556 3.7556 5.0947 5.0947 5.7299 5.7299 6.2964 6.2964 7.1047 7.1047 7.3752 7.3752 9.4165 9.4165 9.6905 9.6905 9.8045 9.8045 10.4257 10.4257 k = 0.0000 0.0000 0.4887 ( 4028 PWs) bands (ev): -13.9708 -13.9708 -13.9688 -13.9688 -13.9389 -13.9389 -13.9353 -13.9353 -12.9444 -12.9444 -12.9426 -12.9426 -12.9150 -12.9150 -12.9046 -12.9046 -12.9032 -12.9032 -12.8938 -12.8938 -5.2020 -5.2020 -4.3680 -4.3680 0.9270 0.9270 1.5107 1.5107 3.6980 3.6980 5.1230 5.1230 5.6783 5.6783 6.2709 6.2709 7.0695 7.0695 7.3220 7.3220 9.5162 9.5162 9.7984 9.7984 9.8952 9.8952 10.5408 10.5408 k = 0.0000 0.0000 0.4691 ( 4028 PWs) bands (ev): -13.9709 -13.9709 -13.9688 -13.9688 -13.9391 -13.9391 -13.9352 -13.9352 -12.9444 -12.9444 -12.9425 -12.9425 -12.9154 -12.9154 -12.9042 -12.9042 -12.9037 -12.9037 -12.8935 -12.8935 -5.2387 -5.2387 -4.3467 -4.3467 0.9544 0.9544 1.5728 1.5728 3.6423 3.6423 5.1433 5.1433 5.6280 5.6280 6.2424 6.2424 7.0397 7.0397 7.2706 7.2706 9.6179 9.6179 9.9083 9.9083 9.9947 9.9947 10.6597 10.6597 k = 0.0000 0.0000 0.4496 ( 4036 PWs) bands (ev): -13.9710 -13.9710 -13.9687 -13.9687 -13.9393 -13.9393 -13.9352 -13.9352 -12.9445 -12.9445 -12.9425 -12.9425 -12.9157 -12.9157 -12.9043 -12.9043 -12.9038 -12.9038 -12.8932 -12.8932 -5.2745 -5.2745 -4.3271 -4.3271 0.9859 0.9859 1.6361 1.6361 3.5886 3.5886 5.1550 5.1550 5.5794 5.5794 6.2115 6.2115 7.0149 7.0149 7.2224 7.2224 9.7215 9.7215 10.0195 10.0195 10.1023 10.1023 10.7820 10.7820 k = 0.0000 0.0000 0.4300 ( 4028 PWs) bands (ev): -13.9711 -13.9711 -13.9687 -13.9687 -13.9395 -13.9395 -13.9351 -13.9351 -12.9446 -12.9446 -12.9425 -12.9425 -12.9160 -12.9160 -12.9047 -12.9047 -12.9035 -12.9035 -12.8930 -12.8930 -5.3094 -5.3094 -4.3091 -4.3091 1.0213 1.0213 1.7002 1.7002 3.5369 3.5369 5.1580 5.1580 5.5328 5.5328 6.1787 6.1787 6.9930 6.9930 7.1796 7.1796 9.8268 9.8268 10.1317 10.1317 10.2170 10.2170 10.9073 10.9073 k = 0.0000 0.0000 0.4105 ( 4024 PWs) bands (ev): -13.9712 -13.9712 -13.9687 -13.9687 -13.9397 -13.9397 -13.9351 -13.9351 -12.9446 -12.9446 -12.9425 -12.9425 -12.9164 -12.9164 -12.9052 -12.9052 -12.9032 -12.9032 -12.8927 -12.8927 -5.3433 -5.3433 -4.2925 -4.2925 1.0605 1.0605 1.7648 1.7648 3.4874 3.4874 5.1522 5.1522 5.4883 5.4883 6.1447 6.1447 6.9712 6.9712 7.1453 7.1453 9.9338 9.9338 10.2443 10.2443 10.3379 10.3379 11.0352 11.0352 k = 0.0000 0.0000 0.3909 ( 4028 PWs) bands (ev): -13.9713 -13.9713 -13.9686 -13.9686 -13.9398 -13.9398 -13.9350 -13.9350 -12.9447 -12.9447 -12.9425 -12.9425 -12.9166 -12.9166 -12.9057 -12.9057 -12.9029 -12.9029 -12.8924 -12.8924 -5.3761 -5.3761 -4.2775 -4.2775 1.1032 1.1032 1.8297 1.8297 3.4403 3.4403 5.1379 5.1379 5.4460 5.4460 6.1099 6.1099 6.9455 6.9455 7.1230 7.1230 10.0423 10.0423 10.3574 10.3574 10.4640 10.4640 11.1653 11.1653 k = 0.0000 0.0000 0.3714 ( 4028 PWs) bands (ev): -13.9714 -13.9714 -13.9686 -13.9686 -13.9400 -13.9400 -13.9350 -13.9350 -12.9447 -12.9447 -12.9425 -12.9425 -12.9169 -12.9169 -12.9062 -12.9062 -12.9027 -12.9027 -12.8921 -12.8921 -5.4078 -5.4078 -4.2639 -4.2639 1.1492 1.1492 1.8943 1.8943 3.3955 3.3955 5.1161 5.1161 5.4054 5.4054 6.0748 6.0748 6.9140 6.9140 7.1141 7.1141 10.1522 10.1522 10.4707 10.4707 10.5941 10.5941 11.2972 11.2972 k = 0.0000 0.0000 0.3518 ( 4026 PWs) bands (ev): -13.9715 -13.9715 -13.9685 -13.9685 -13.9402 -13.9402 -13.9349 -13.9349 -12.9448 -12.9448 -12.9426 -12.9426 -12.9172 -12.9172 -12.9067 -12.9067 -12.9025 -12.9025 -12.8918 -12.8918 -5.4382 -5.4382 -4.2517 -4.2517 1.1981 1.1981 1.9585 1.9585 3.3531 3.3531 5.0879 5.0879 5.3664 5.3664 6.0398 6.0398 6.8776 6.8776 7.1171 7.1171 10.2633 10.2633 10.5840 10.5840 10.7274 10.7274 11.4304 11.4304 k = 0.0000 0.0000 0.3323 ( 4034 PWs) bands (ev): -13.9716 -13.9716 -13.9685 -13.9685 -13.9404 -13.9404 -13.9349 -13.9349 -12.9448 -12.9448 -12.9426 -12.9426 -12.9174 -12.9174 -12.9071 -12.9071 -12.9022 -12.9022 -12.8916 -12.8916 -5.4673 -5.4673 -4.2407 -4.2407 1.2496 1.2496 2.0218 2.0218 3.3134 3.3134 5.0544 5.0544 5.3286 5.3286 6.0053 6.0053 6.8384 6.8384 7.1288 7.1288 10.3750 10.3750 10.6968 10.6968 10.8633 10.8633 11.5644 11.5644 k = 0.0000 0.0000 0.3128 ( 4038 PWs) bands (ev): -13.9717 -13.9717 -13.9685 -13.9685 -13.9405 -13.9405 -13.9349 -13.9349 -12.9448 -12.9448 -12.9426 -12.9426 -12.9177 -12.9177 -12.9076 -12.9076 -12.9021 -12.9021 -12.8913 -12.8913 -5.4951 -5.4951 -4.2310 -4.2310 1.3032 1.3032 2.0838 2.0838 3.2764 3.2764 5.0167 5.0167 5.2917 5.2917 5.9716 5.9716 6.7983 6.7983 7.1468 7.1468 10.4871 10.4871 10.8087 10.8087 11.0010 11.0010 11.6984 11.6984 k = 0.0000 0.0000 0.2932 ( 4038 PWs) bands (ev): -13.9718 -13.9718 -13.9685 -13.9685 -13.9407 -13.9407 -13.9349 -13.9349 -12.9448 -12.9448 -12.9427 -12.9427 -12.9179 -12.9179 -12.9080 -12.9080 -12.9019 -12.9019 -12.8910 -12.8910 -5.5214 -5.5214 -4.2224 -4.2224 1.3587 1.3587 2.1440 2.1440 3.2423 3.2423 4.9760 4.9760 5.2557 5.2557 5.9389 5.9389 6.7585 6.7585 7.1689 7.1689 10.5990 10.5990 10.9190 10.9190 11.1398 11.1398 11.8314 11.8314 k = 0.0000 0.0000 0.2737 ( 4036 PWs) bands (ev): -13.9719 -13.9719 -13.9684 -13.9684 -13.9408 -13.9408 -13.9349 -13.9349 -12.9449 -12.9449 -12.9427 -12.9427 -12.9181 -12.9181 -12.9084 -12.9084 -12.9017 -12.9017 -12.8907 -12.8907 -5.5463 -5.5463 -4.2148 -4.2148 1.4155 1.4155 2.2020 2.2020 3.2111 3.2111 4.9330 4.9330 5.2206 5.2206 5.9076 5.9076 6.7196 6.7196 7.1935 7.1935 10.7101 10.7101 11.0271 11.0271 11.2790 11.2790 11.9617 11.9617 k = 0.0000 0.0000 0.2541 ( 4038 PWs) bands (ev): -13.9719 -13.9719 -13.9684 -13.9684 -13.9409 -13.9409 -13.9348 -13.9348 -12.9449 -12.9449 -12.9428 -12.9428 -12.9182 -12.9182 -12.9088 -12.9088 -12.9016 -12.9016 -12.8905 -12.8905 -5.5696 -5.5696 -4.2083 -4.2083 1.4730 1.4730 2.2574 2.2574 3.1830 3.1830 4.8885 4.8885 5.1868 5.1868 5.8777 5.8777 6.6822 6.6822 7.2196 7.2196 10.8197 10.8197 11.1317 11.1317 11.4180 11.4180 12.0852 12.0852 k = 0.0000 0.0000 0.2346 ( 4042 PWs) bands (ev): -13.9720 -13.9720 -13.9684 -13.9684 -13.9411 -13.9411 -13.9348 -13.9348 -12.9449 -12.9449 -12.9429 -12.9429 -12.9184 -12.9184 -12.9092 -12.9092 -12.9015 -12.9015 -12.8902 -12.8902 -5.5914 -5.5914 -4.2026 -4.2026 1.5309 1.5309 2.3096 2.3096 3.1581 3.1581 4.8430 4.8430 5.1544 5.1544 5.8495 5.8495 6.6466 6.6466 7.2461 7.2461 10.9271 10.9271 11.2316 11.2316 11.5558 11.5558 12.1889 12.1889 k = 0.0000 0.0000 0.2150 ( 4038 PWs) bands (ev): -13.9721 -13.9721 -13.9684 -13.9684 -13.9412 -13.9412 -13.9348 -13.9348 -12.9449 -12.9449 -12.9429 -12.9429 -12.9186 -12.9186 -12.9095 -12.9095 -12.9014 -12.9014 -12.8900 -12.8900 -5.6116 -5.6116 -4.1977 -4.1977 1.5883 1.5883 2.3581 2.3581 3.1365 3.1365 4.7972 4.7972 5.1238 5.1238 5.8230 5.8230 6.6130 6.6130 7.2723 7.2723 11.0313 11.0313 11.3250 11.3250 11.6911 11.6911 12.2364 12.2364 k = 0.0000 0.0000 0.1955 ( 4042 PWs) bands (ev): -13.9722 -13.9722 -13.9684 -13.9684 -13.9413 -13.9413 -13.9348 -13.9348 -12.9449 -12.9449 -12.9430 -12.9430 -12.9187 -12.9187 -12.9098 -12.9098 -12.9013 -12.9013 -12.8898 -12.8898 -5.6301 -5.6301 -4.1935 -4.1935 1.6448 1.6448 2.4026 2.4026 3.1184 3.1184 4.7517 4.7517 5.0953 5.0953 5.7985 5.7985 6.5817 6.5817 7.2976 7.2976 11.1312 11.1312 11.4097 11.4097 11.8222 11.8222 12.2224 12.2224 k = 0.0000 0.0000 0.1759 ( 4040 PWs) bands (ev): -13.9722 -13.9722 -13.9684 -13.9684 -13.9414 -13.9414 -13.9348 -13.9348 -12.9448 -12.9448 -12.9431 -12.9431 -12.9188 -12.9188 -12.9101 -12.9101 -12.9013 -12.9013 -12.8896 -12.8896 -5.6470 -5.6470 -4.1899 -4.1899 1.6995 1.6995 2.4425 2.4425 3.1037 3.1037 4.7070 4.7070 5.0690 5.0690 5.7759 5.7759 6.5527 6.5527 7.3214 7.3214 11.2254 11.2254 11.4832 11.4832 11.9452 11.9452 12.1932 12.1932 k = 0.0000 0.0000 0.1564 ( 4036 PWs) bands (ev): -13.9723 -13.9723 -13.9684 -13.9684 -13.9415 -13.9415 -13.9348 -13.9348 -12.9448 -12.9448 -12.9432 -12.9432 -12.9189 -12.9189 -12.9104 -12.9104 -12.9012 -12.9012 -12.8894 -12.8894 -5.6621 -5.6621 -4.1870 -4.1870 1.7517 1.7517 2.4777 2.4777 3.0924 3.0924 4.6640 4.6640 5.0452 5.0452 5.7555 5.7555 6.5264 6.5264 7.3433 7.3433 11.3119 11.3119 11.5435 11.5435 12.0467 12.0467 12.1771 12.1771 k = 0.0000 0.0000 0.1368 ( 4034 PWs) bands (ev): -13.9723 -13.9723 -13.9684 -13.9684 -13.9416 -13.9416 -13.9348 -13.9348 -12.9448 -12.9448 -12.9432 -12.9432 -12.9190 -12.9190 -12.9106 -12.9106 -12.9012 -12.9012 -12.8892 -12.8892 -5.6756 -5.6756 -4.1845 -4.1845 1.8006 1.8006 2.5078 2.5078 3.0843 3.0843 4.6234 4.6234 5.0240 5.0240 5.7373 5.7373 6.5027 6.5027 7.3632 7.3632 11.3879 11.3879 11.5907 11.5907 12.0806 12.0806 12.2163 12.2163 k = 0.0000 0.0000 0.1173 ( 4030 PWs) bands (ev): -13.9724 -13.9724 -13.9683 -13.9683 -13.9416 -13.9416 -13.9348 -13.9348 -12.9448 -12.9448 -12.9433 -12.9433 -12.9191 -12.9191 -12.9108 -12.9108 -12.9012 -12.9012 -12.8890 -12.8890 -5.6873 -5.6873 -4.1825 -4.1825 1.8454 1.8454 2.5330 2.5330 3.0791 3.0791 4.5859 4.5859 5.0054 5.0054 5.7214 5.7214 6.4819 6.4819 7.3806 7.3806 11.4495 11.4495 11.6288 11.6288 12.0642 12.0642 12.2816 12.2816 k = 0.0000 0.0000 0.0977 ( 4017 PWs) bands (ev): -13.9724 -13.9724 -13.9683 -13.9683 -13.9417 -13.9417 -13.9348 -13.9348 -12.9448 -12.9448 -12.9434 -12.9434 -12.9192 -12.9192 -12.9110 -12.9110 -12.9011 -12.9011 -12.8889 -12.8889 -5.6972 -5.6972 -4.1809 -4.1809 1.8852 1.8852 2.5533 2.5533 3.0762 3.0762 4.5523 4.5523 4.9897 4.9897 5.7078 5.7078 6.4641 6.4641 7.3956 7.3956 11.4927 11.4927 11.6640 11.6640 12.0399 12.0399 12.3327 12.3327 k = 0.0000 0.0000 0.0782 ( 4009 PWs) bands (ev): -13.9724 -13.9724 -13.9683 -13.9683 -13.9417 -13.9417 -13.9348 -13.9348 -12.9447 -12.9447 -12.9434 -12.9434 -12.9192 -12.9192 -12.9112 -12.9112 -12.9011 -12.9011 -12.8888 -12.8888 -5.7054 -5.7054 -4.1796 -4.1796 1.9191 1.9191 2.5691 2.5691 3.0751 3.0751 4.5235 4.5235 4.9767 4.9767 5.6966 5.6966 6.4494 6.4494 7.4080 7.4080 11.5171 11.5171 11.6996 11.6996 12.0166 12.0166 12.3780 12.3780 k = 0.0000 0.0000 0.0586 ( 4005 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9435 -12.9435 -12.9193 -12.9193 -12.9113 -12.9113 -12.9011 -12.9011 -12.8887 -12.8887 -5.7117 -5.7117 -4.1787 -4.1787 1.9464 1.9464 2.5808 2.5808 3.0752 3.0752 4.5002 4.5002 4.9666 4.9666 5.6878 5.6878 6.4378 6.4378 7.4176 7.4176 11.5280 11.5280 11.7333 11.7333 11.9969 11.9969 12.4194 12.4194 k = 0.0000 0.0000 0.0391 ( 4005 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9435 -12.9435 -12.9193 -12.9193 -12.9114 -12.9114 -12.9011 -12.9011 -12.8886 -12.8886 -5.7163 -5.7163 -4.1780 -4.1780 1.9665 1.9665 2.5888 2.5888 3.0758 3.0758 4.4830 4.4830 4.9594 4.9594 5.6815 5.6815 6.4295 6.4295 7.4245 7.4245 11.5318 11.5318 11.7606 11.7606 11.9821 11.9821 12.4533 12.4533 k = 0.0000 0.0000 0.0195 ( 4003 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9435 -12.9435 -12.9193 -12.9193 -12.9114 -12.9114 -12.9011 -12.9011 -12.8886 -12.8886 -5.7190 -5.7190 -4.1776 -4.1776 1.9787 1.9787 2.5934 2.5934 3.0763 3.0763 4.4725 4.4725 4.9551 4.9551 5.6778 5.6778 6.4244 6.4244 7.4287 7.4287 11.5326 11.5326 11.7782 11.7782 11.9730 11.9730 12.4758 12.4758 k = 0.0000 0.0000 0.0000 ( 4013 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9436 -12.9436 -12.9193 -12.9193 -12.9114 -12.9114 -12.9011 -12.9011 -12.8886 -12.8886 -5.7199 -5.7199 -4.1775 -4.1775 1.9829 1.9829 2.5949 2.5949 3.0765 3.0765 4.4690 4.4690 4.9536 4.9536 5.6765 5.6765 6.4228 6.4228 7.4301 7.4301 11.5326 11.5326 11.7843 11.7843 11.9699 11.9699 12.4837 12.4837 k = 0.0000 0.0000 0.0000 ( 4013 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9436 -12.9436 -12.9193 -12.9193 -12.9114 -12.9114 -12.9011 -12.9011 -12.8886 -12.8886 -5.7199 -5.7199 -4.1775 -4.1775 1.9829 1.9829 2.5949 2.5949 3.0765 3.0765 4.4690 4.4690 4.9536 4.9536 5.6765 5.6765 6.4228 6.4228 7.4301 7.4301 11.5326 11.5326 11.7843 11.7843 11.9699 11.9699 12.4837 12.4837 k =-0.0179 0.0066-0.0000 ( 4001 PWs) bands (ev): -13.9725 -13.9725 -13.9683 -13.9683 -13.9418 -13.9418 -13.9348 -13.9348 -12.9447 -12.9447 -12.9435 -12.9435 -12.9193 -12.9193 -12.9114 -12.9114 -12.9011 -12.9011 -12.8886 -12.8886 -5.7192 -5.7192 -4.1785 -4.1785 1.9680 1.9680 2.6092 2.6092 3.0813 3.0813 4.4697 4.4697 4.9513 4.9513 5.6794 5.6794 6.4213 6.4213 7.4301 7.4301 11.5267 11.5267 11.7768 11.7768 11.9799 11.9799 12.4671 12.4671 k =-0.0357 0.0132-0.0000 ( 3995 PWs) bands (ev): -13.9725 -13.9725 -13.9684 -13.9684 -13.9419 -13.9419 -13.9348 -13.9348 -12.9447 -12.9447 -12.9435 -12.9435 -12.9194 -12.9194 -12.9113 -12.9113 -12.9011 -12.9011 -12.8886 -12.8886 -5.7173 -5.7173 -4.1817 -4.1817 1.9276 1.9276 2.6470 2.6470 3.0964 3.0964 4.4719 4.4719 4.9446 4.9446 5.6880 5.6880 6.4171 6.4171 7.4301 7.4301 11.5097 11.5097 11.7586 11.7586 12.0044 12.0044 12.4278 12.4278 k =-0.0536 0.0198-0.0000 ( 3995 PWs) bands (ev): -13.9725 -13.9725 -13.9684 -13.9684 -13.9419 -13.9419 -13.9347 -13.9347 -12.9447 -12.9447 -12.9435 -12.9435 -12.9194 -12.9194 -12.9111 -12.9111 -12.9012 -12.9012 -12.8887 -12.8887 -5.7140 -5.7140 -4.1868 -4.1868 1.8704 1.8704 2.6968 2.6968 3.1246 3.1246 4.4755 4.4755 4.9339 4.9339 5.7018 5.7018 6.4100 6.4100 7.4301 7.4301 11.4838 11.4838 11.7353 11.7353 12.0326 12.0326 12.3796 12.3796 k =-0.0714 0.0264-0.0000 ( 3999 PWs) bands (ev): -13.9725 -13.9725 -13.9684 -13.9684 -13.9419 -13.9419 -13.9347 -13.9347 -12.9447 -12.9447 -12.9435 -12.9435 -12.9194 -12.9194 -12.9109 -12.9109 -12.9013 -12.9013 -12.8887 -12.8887 -5.7095 -5.7095 -4.1940 -4.1940 1.8038 1.8038 2.7474 2.7474 3.1696 3.1696 4.4805 4.4805 4.9198 4.9198 5.7201 5.7201 6.4003 6.4003 7.4300 7.4300 11.4521 11.4521 11.7085 11.7085 12.0554 12.0554 12.3288 12.3288 k =-0.0893 0.0330-0.0000 ( 3999 PWs) bands (ev): -13.9724 -13.9724 -13.9684 -13.9684 -13.9420 -13.9420 -13.9346 -13.9346 -12.9447 -12.9447 -12.9435 -12.9435 -12.9195 -12.9195 -12.9106 -12.9106 -12.9014 -12.9014 -12.8888 -12.8888 -5.7037 -5.7037 -4.2031 -4.2031 1.7330 1.7330 2.7906 2.7906 3.2344 3.2344 4.4866 4.4866 4.9033 4.9033 5.7421 5.7421 6.3881 6.3881 7.4300 7.4300 11.4175 11.4175 11.6769 11.6769 12.0655 12.0655 12.2775 12.2775 k =-0.1071 0.0396-0.0000 ( 4004 PWs) bands (ev): -13.9724 -13.9724 -13.9685 -13.9685 -13.9421 -13.9421 -13.9345 -13.9345 -12.9448 -12.9448 -12.9435 -12.9435 -12.9195 -12.9195 -12.9103 -12.9103 -12.9015 -12.9015 -12.8889 -12.8889 -5.6966 -5.6966 -4.2141 -4.2141 1.6608 1.6608 2.8235 2.8235 3.3189 3.3189 4.4939 4.4939 4.8849 4.8849 5.7670 5.7670 6.3735 6.3735 7.4299 7.4299 11.3820 11.3820 11.6380 11.6380 12.0580 12.0580 12.2259 12.2259 k =-0.1250 0.0462-0.0000 ( 4016 PWs) bands (ev): -13.9723 -13.9723 -13.9685 -13.9685 -13.9421 -13.9421 -13.9344 -13.9344 -12.9448 -12.9448 -12.9435 -12.9435 -12.9196 -12.9196 -12.9099 -12.9099 -12.9017 -12.9017 -12.8890 -12.8890 -5.6884 -5.6884 -4.2269 -4.2269 1.5892 1.5892 2.8469 2.8469 3.4203 3.4203 4.5019 4.5019 4.8658 4.8658 5.7939 5.7939 6.3570 6.3570 7.4297 7.4297 11.3471 11.3471 11.5880 11.5880 12.0293 12.0293 12.1760 12.1760 k =-0.1429 0.0528-0.0000 ( 4012 PWs) bands (ev): -13.9723 -13.9723 -13.9685 -13.9685 -13.9422 -13.9422 -13.9342 -13.9342 -12.9448 -12.9448 -12.9435 -12.9435 -12.9197 -12.9197 -12.9094 -12.9094 -12.9019 -12.9019 -12.8891 -12.8891 -5.6791 -5.6791 -4.2414 -4.2414 1.5192 1.5192 2.8634 2.8634 3.5349 3.5349 4.5105 4.5105 4.8466 4.8466 5.8219 5.8219 6.3388 6.3388 7.4295 7.4295 11.3127 11.3127 11.5230 11.5230 11.9784 11.9784 12.1344 12.1344 k =-0.1607 0.0594-0.0000 ( 4008 PWs) bands (ev): -13.9722 -13.9722 -13.9686 -13.9686 -13.9423 -13.9423 -13.9341 -13.9341 -12.9448 -12.9448 -12.9435 -12.9435 -12.9197 -12.9197 -12.9090 -12.9090 -12.9021 -12.9021 -12.8892 -12.8892 -5.6686 -5.6686 -4.2574 -4.2574 1.4516 1.4516 2.8750 2.8750 3.6596 3.6596 4.5191 4.5191 4.8284 4.8284 5.8500 5.8500 6.3194 6.3194 7.4292 7.4292 11.2758 11.2758 11.4417 11.4417 11.9118 11.9118 12.1046 12.1046 k =-0.1786 0.0660-0.0000 ( 4012 PWs) bands (ev): -13.9722 -13.9722 -13.9686 -13.9686 -13.9424 -13.9424 -13.9340 -13.9340 -12.9449 -12.9449 -12.9435 -12.9435 -12.9197 -12.9197 -12.9085 -12.9085 -12.9023 -12.9023 -12.8894 -12.8894 -5.6571 -5.6571 -4.2749 -4.2749 1.3867 1.3867 2.8835 2.8835 3.7921 3.7921 4.5272 4.5272 4.8120 4.8120 5.8773 5.8773 6.2996 6.2996 7.4287 7.4287 11.2211 11.2211 11.3565 11.3565 11.8415 11.8415 12.0848 12.0848 k =-0.1964 0.0726-0.0000 ( 4020 PWs) bands (ev): -13.9721 -13.9721 -13.9687 -13.9687 -13.9425 -13.9425 -13.9338 -13.9338 -12.9449 -12.9449 -12.9435 -12.9435 -12.9198 -12.9198 -12.9080 -12.9080 -12.9026 -12.9026 -12.8895 -12.8895 -5.6447 -5.6447 -4.2937 -4.2937 1.3250 1.3250 2.8898 2.8898 3.9309 3.9309 4.5341 4.5341 4.7985 4.7985 5.9025 5.9025 6.2802 6.2802 7.4281 7.4281 11.1165 11.1165 11.3011 11.3011 11.7756 11.7756 12.0727 12.0727 k =-0.2143 0.0792-0.0000 ( 4024 PWs) bands (ev): -13.9720 -13.9720 -13.9688 -13.9688 -13.9425 -13.9425 -13.9337 -13.9337 -12.9449 -12.9449 -12.9435 -12.9435 -12.9198 -12.9198 -12.9074 -12.9074 -12.9028 -12.9028 -12.8897 -12.8897 -5.6314 -5.6314 -4.3136 -4.3136 1.2666 1.2666 2.8946 2.8946 4.0747 4.0747 4.5390 4.5390 4.7889 4.7889 5.9241 5.9241 6.2626 6.2626 7.4274 7.4274 10.9666 10.9666 11.2754 11.2754 11.7165 11.7165 12.0669 12.0669 k =-0.2321 0.0858-0.0000 ( 4024 PWs) bands (ev): -13.9720 -13.9720 -13.9689 -13.9689 -13.9426 -13.9426 -13.9335 -13.9335 -12.9449 -12.9449 -12.9435 -12.9435 -12.9198 -12.9198 -12.9069 -12.9069 -12.9031 -12.9031 -12.8899 -12.8899 -5.6174 -5.6174 -4.3344 -4.3344 1.2117 1.2117 2.8984 2.8984 4.2226 4.2226 4.5412 4.5412 4.7841 4.7841 5.9404 5.9404 6.2485 6.2485 7.4266 7.4266 10.7931 10.7931 11.2635 11.2635 11.6636 11.6636 12.0664 12.0664 k =-0.2500 0.0924-0.0000 ( 4020 PWs) bands (ev): -13.9719 -13.9719 -13.9689 -13.9689 -13.9427 -13.9427 -13.9334 -13.9334 -12.9449 -12.9449 -12.9435 -12.9435 -12.9198 -12.9198 -12.9063 -12.9063 -12.9033 -12.9033 -12.8901 -12.8901 -5.6027 -5.6027 -4.3560 -4.3560 1.1603 1.1603 2.9014 2.9014 4.3732 4.3732 4.5410 4.5410 4.7846 4.7846 5.9494 5.9494 6.2396 6.2396 7.4256 7.4256 10.6061 10.6061 11.2601 11.2601 11.6159 11.6159 12.0708 12.0708 k =-0.2679 0.0990-0.0000 ( 4024 PWs) bands (ev): -13.9718 -13.9718 -13.9690 -13.9690 -13.9428 -13.9428 -13.9332 -13.9332 -12.9449 -12.9449 -12.9435 -12.9435 -12.9198 -12.9198 -12.9057 -12.9057 -12.9036 -12.9036 -12.8903 -12.8903 -5.5875 -5.5875 -4.3780 -4.3780 1.1125 1.1125 2.9038 2.9038 4.5107 4.5107 4.5536 4.5536 4.7905 4.7905 5.9499 5.9499 6.2373 6.2373 7.4245 7.4245 10.4113 10.4113 11.2637 11.2637 11.5727 11.5727 12.0794 12.0794 k =-0.2857 0.1056-0.0000 ( 4032 PWs) bands (ev): -13.9717 -13.9717 -13.9691 -13.9691 -13.9429 -13.9429 -13.9331 -13.9331 -12.9450 -12.9450 -12.9435 -12.9435 -12.9197 -12.9197 -12.9052 -12.9052 -12.9038 -12.9038 -12.8906 -12.8906 -5.5720 -5.5720 -4.4003 -4.4003 1.0683 1.0683 2.9059 2.9059 4.5232 4.5232 4.6906 4.6906 4.8011 4.8011 5.9417 5.9417 6.2418 6.2418 7.4233 7.4233 10.2122 10.2122 11.2735 11.2735 11.5333 11.5333 12.0918 12.0918 k =-0.3036 0.1122-0.0000 ( 4032 PWs) bands (ev): -13.9716 -13.9716 -13.9692 -13.9692 -13.9429 -13.9429 -13.9329 -13.9329 -12.9450 -12.9450 -12.9435 -12.9435 -12.9197 -12.9197 -12.9047 -12.9047 -12.9040 -12.9040 -12.8908 -12.8908 -5.5563 -5.5563 -4.4227 -4.4227 1.0277 1.0277 2.9076 2.9076 4.5153 4.5153 4.8151 4.8151 4.8480 4.8480 5.9261 5.9261 6.2518 6.2518 7.4220 7.4220 10.0113 10.0113 11.2894 11.2894 11.4975 11.4975 12.1076 12.1076 k =-0.3214 0.1188-0.0000 ( 4040 PWs) bands (ev): -13.9715 -13.9715 -13.9693 -13.9693 -13.9430 -13.9430 -13.9328 -13.9328 -12.9450 -12.9450 -12.9435 -12.9435 -12.9196 -12.9196 -12.9045 -12.9045 -12.9039 -12.9039 -12.8911 -12.8911 -5.5406 -5.5406 -4.4447 -4.4447 0.9908 0.9908 2.9090 2.9090 4.5054 4.5054 4.8326 4.8326 5.0064 5.0064 5.9051 5.9051 6.2655 6.2655 7.4207 7.4207 9.8110 9.8110 11.3109 11.3109 11.4652 11.4652 12.1265 12.1265 k =-0.3393 0.1253-0.0000 ( 4048 PWs) bands (ev): -13.9714 -13.9714 -13.9694 -13.9694 -13.9431 -13.9431 -13.9327 -13.9327 -12.9450 -12.9450 -12.9435 -12.9435 -12.9196 -12.9196 -12.9047 -12.9047 -12.9034 -12.9034 -12.8914 -12.8914 -5.5251 -5.5251 -4.4662 -4.4662 0.9574 0.9574 2.9102 2.9102 4.4949 4.4949 4.8518 4.8518 5.1649 5.1649 5.8807 5.8807 6.2811 6.2811 7.4193 7.4193 9.6130 9.6130 11.3374 11.3374 11.4367 11.4367 12.1479 12.1479 k =-0.3571 0.1319-0.0000 ( 4052 PWs) bands (ev): -13.9713 -13.9713 -13.9695 -13.9695 -13.9431 -13.9431 -13.9326 -13.9326 -12.9450 -12.9450 -12.9435 -12.9435 -12.9195 -12.9195 -12.9049 -12.9049 -12.9029 -12.9029 -12.8917 -12.8917 -5.5102 -5.5102 -4.4868 -4.4868 0.9277 0.9277 2.9112 2.9112 4.4844 4.4844 4.8722 4.8722 5.3216 5.3216 5.8546 5.8546 6.2973 6.2973 7.4180 7.4180 9.4196 9.4196 11.3663 11.3663 11.4144 11.4144 12.1713 12.1713 k =-0.3750 0.1385-0.0000 ( 4042 PWs) bands (ev): -13.9712 -13.9712 -13.9696 -13.9696 -13.9432 -13.9432 -13.9325 -13.9325 -12.9450 -12.9450 -12.9435 -12.9435 -12.9195 -12.9195 -12.9052 -12.9052 -12.9024 -12.9024 -12.8920 -12.8920 -5.4959 -5.4959 -4.5061 -4.5061 0.9015 0.9015 2.9120 2.9120 4.4745 4.4745 4.8929 4.8929 5.4745 5.4745 5.8284 5.8284 6.3132 6.3132 7.4167 7.4167 9.2329 9.2329 11.3758 11.3758 11.4197 11.4197 12.1960 12.1960 k =-0.3929 0.1451-0.0000 ( 4042 PWs) bands (ev): -13.9711 -13.9711 -13.9697 -13.9697 -13.9432 -13.9432 -13.9324 -13.9324 -12.9450 -12.9450 -12.9435 -12.9435 -12.9194 -12.9194 -12.9053 -12.9053 -12.9019 -12.9019 -12.8922 -12.8922 -5.4828 -5.4828 -4.5239 -4.5239 0.8789 0.8789 2.9128 2.9128 4.4655 4.4655 4.9133 4.9133 5.6204 5.6204 5.8045 5.8045 6.3279 6.3279 7.4154 7.4154 9.0555 9.0555 11.3607 11.3607 11.4572 11.4572 12.2213 12.2213 k =-0.4107 0.1517-0.0000 ( 4040 PWs) bands (ev): -13.9710 -13.9710 -13.9698 -13.9698 -13.9433 -13.9433 -13.9323 -13.9323 -12.9450 -12.9450 -12.9435 -12.9435 -12.9194 -12.9194 -12.9055 -12.9055 -12.9014 -12.9014 -12.8925 -12.8925 -5.4709 -5.4709 -4.5397 -4.5397 0.8598 0.8598 2.9133 2.9133 4.4575 4.4575 4.9325 4.9325 5.7403 5.7403 5.7998 5.7998 6.3410 6.3410 7.4143 7.4143 8.8908 8.8908 11.3448 11.3448 11.5023 11.5023 12.2460 12.2460 k =-0.4286 0.1583-0.0000 ( 4046 PWs) bands (ev): -13.9709 -13.9709 -13.9699 -13.9699 -13.9433 -13.9433 -13.9323 -13.9323 -12.9450 -12.9450 -12.9435 -12.9435 -12.9193 -12.9193 -12.9057 -12.9057 -12.9010 -12.9010 -12.8927 -12.8927 -5.4607 -5.4607 -4.5533 -4.5533 0.8442 0.8442 2.9138 2.9138 4.4508 4.4508 4.9498 4.9498 5.7473 5.7473 5.8979 5.8979 6.3521 6.3521 7.4133 7.4133 8.7430 8.7430 11.3314 11.3314 11.5507 11.5507 12.2679 12.2679 k =-0.4464 0.1649-0.0000 ( 4042 PWs) bands (ev): -13.9708 -13.9708 -13.9700 -13.9700 -13.9433 -13.9433 -13.9322 -13.9322 -12.9450 -12.9450 -12.9435 -12.9435 -12.9193 -12.9193 -12.9058 -12.9058 -12.9007 -12.9007 -12.8930 -12.8930 -5.4524 -5.4524 -4.5642 -4.5642 0.8321 0.8321 2.9142 2.9142 4.4455 4.4455 4.9643 4.9643 5.7318 5.7318 6.0044 6.0044 6.3609 6.3609 7.4125 7.4125 8.6174 8.6174 11.3208 11.3208 11.5998 11.5998 12.2219 12.2219 k =-0.4643 0.1715-0.0000 ( 4040 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9433 -13.9433 -13.9322 -13.9322 -12.9450 -12.9450 -12.9435 -12.9435 -12.9193 -12.9193 -12.9059 -12.9059 -12.9005 -12.9005 -12.8931 -12.8931 -5.4463 -5.4463 -4.5722 -4.5722 0.8234 0.8234 2.9144 2.9144 4.4416 4.4416 4.9754 4.9754 5.7189 5.7189 6.0888 6.0888 6.3673 6.3673 7.4119 7.4119 8.5205 8.5205 11.3132 11.3132 11.6455 11.6455 12.1543 12.1543 k =-0.4821 0.1781-0.0000 ( 4046 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9433 -13.9433 -13.9322 -13.9322 -12.9450 -12.9450 -12.9435 -12.9435 -12.9193 -12.9193 -12.9059 -12.9059 -12.9003 -12.9003 -12.8932 -12.8932 -5.4425 -5.4425 -4.5771 -4.5771 0.8183 0.8183 2.9146 2.9146 4.4393 4.4393 4.9823 4.9823 5.7107 5.7107 6.1432 6.1432 6.3712 6.3712 7.4115 7.4115 8.4587 8.4587 11.3086 11.3086 11.6804 11.6804 12.1061 12.1061 k =-0.5000 0.1847-0.0000 ( 4036 PWs) bands (ev): -13.9706 -13.9706 -13.9702 -13.9702 -13.9433 -13.9433 -13.9322 -13.9322 -12.9450 -12.9450 -12.9435 -12.9435 -12.9193 -12.9193 -12.9060 -12.9060 -12.9003 -12.9003 -12.8933 -12.8933 -5.4412 -5.4412 -4.5788 -4.5788 0.8165 0.8165 2.9146 2.9146 4.4385 4.4385 4.9847 4.9847 5.7079 5.7079 6.1621 6.1621 6.3725 6.3725 7.4114 7.4114 8.4374 8.4374 11.3071 11.3071 11.6941 11.6941 12.0880 12.0880 k =-0.5000 0.1847-0.0000 ( 4036 PWs) bands (ev): -13.9706 -13.9706 -13.9702 -13.9702 -13.9433 -13.9433 -13.9322 -13.9322 -12.9450 -12.9450 -12.9435 -12.9435 -12.9193 -12.9193 -12.9060 -12.9060 -12.9003 -12.9003 -12.8933 -12.8933 -5.4412 -5.4412 -4.5788 -4.5788 0.8165 0.8165 2.9146 2.9146 4.4385 4.4385 4.9847 4.9847 5.7079 5.7079 6.1621 6.1621 6.3725 6.3725 7.4114 7.4114 8.4374 8.4374 11.3071 11.3071 11.6941 11.6941 12.0880 12.0880 k =-0.4933 0.2030-0.0000 ( 4040 PWs) bands (ev): -13.9706 -13.9706 -13.9702 -13.9702 -13.9433 -13.9433 -13.9322 -13.9322 -12.9450 -12.9450 -12.9435 -12.9435 -12.9192 -12.9192 -12.9059 -12.9059 -12.9003 -12.9003 -12.8933 -12.8933 -5.4404 -5.4404 -4.5785 -4.5785 0.8137 0.8137 2.9117 2.9117 4.4406 4.4406 4.9860 4.9860 5.7089 5.7089 6.1558 6.1558 6.3815 6.3815 7.4101 7.4101 8.4382 8.4382 11.2999 11.2999 11.6967 11.6967 12.0912 12.0912 k =-0.4865 0.2212-0.0000 ( 4040 PWs) bands (ev): -13.9706 -13.9706 -13.9702 -13.9702 -13.9433 -13.9433 -13.9321 -13.9321 -12.9450 -12.9450 -12.9435 -12.9435 -12.9192 -12.9192 -12.9059 -12.9059 -12.9003 -12.9003 -12.8932 -12.8932 -5.4380 -5.4380 -4.5778 -4.5778 0.8051 0.8051 2.9032 2.9032 4.4471 4.4471 4.9900 4.9900 5.7121 5.7121 6.1398 6.1398 6.4057 6.4057 7.4061 7.4061 8.4404 8.4404 11.2786 11.2786 11.7046 11.7046 12.1002 12.1002 k =-0.4798 0.2395-0.0000 ( 4042 PWs) bands (ev): -13.9706 -13.9706 -13.9702 -13.9702 -13.9433 -13.9433 -13.9321 -13.9321 -12.9450 -12.9450 -12.9434 -12.9434 -12.9192 -12.9192 -12.9059 -12.9059 -12.9003 -12.9003 -12.8932 -12.8932 -5.4339 -5.4339 -4.5765 -4.5765 0.7911 0.7911 2.8889 2.8889 4.4577 4.4577 4.9967 4.9967 5.7174 5.7174 6.1190 6.1190 6.4402 6.4402 7.3995 7.3995 8.4442 8.4442 11.2438 11.2438 11.7176 11.7176 12.1121 12.1121 k =-0.4730 0.2578-0.0000 ( 4040 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9433 -13.9433 -13.9321 -13.9321 -12.9450 -12.9450 -12.9434 -12.9434 -12.9192 -12.9192 -12.9059 -12.9059 -12.9004 -12.9004 -12.8932 -12.8932 -5.4282 -5.4282 -4.5748 -4.5748 0.7717 0.7717 2.8692 2.8692 4.4723 4.4723 5.0060 5.0060 5.7247 5.7247 6.0970 6.0970 6.4814 6.4814 7.3898 7.3898 8.4500 8.4500 11.1961 11.1961 11.7356 11.7356 12.1052 12.1052 k =-0.4663 0.2760-0.0000 ( 4045 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9433 -13.9433 -13.9321 -13.9321 -12.9450 -12.9450 -12.9434 -12.9434 -12.9191 -12.9191 -12.9059 -12.9059 -12.9004 -12.9004 -12.8931 -12.8931 -5.4209 -5.4209 -4.5727 -4.5727 0.7473 0.7473 2.8441 2.8441 4.4907 4.4907 5.0180 5.0180 5.7339 5.7339 6.0758 6.0758 6.5269 6.5269 7.3771 7.3771 8.4578 8.4578 11.1367 11.1367 11.7585 11.7585 12.0383 12.0383 k =-0.4595 0.2943-0.0000 ( 4045 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9432 -13.9432 -13.9321 -13.9321 -12.9450 -12.9450 -12.9433 -12.9433 -12.9191 -12.9191 -12.9058 -12.9058 -12.9005 -12.9005 -12.8931 -12.8931 -5.4120 -5.4120 -4.5702 -4.5702 0.7183 0.7183 2.8139 2.8139 4.5127 4.5127 5.0325 5.0325 5.7451 5.7451 6.0567 6.0567 6.5757 6.5757 7.3611 7.3611 8.4680 8.4680 11.0668 11.0668 11.7855 11.7855 11.9409 11.9409 k =-0.4528 0.3125-0.0000 ( 4051 PWs) bands (ev): -13.9705 -13.9705 -13.9701 -13.9701 -13.9432 -13.9432 -13.9321 -13.9321 -12.9450 -12.9450 -12.9432 -12.9432 -12.9190 -12.9190 -12.9058 -12.9058 -12.9006 -12.9006 -12.8930 -12.8930 -5.4015 -5.4015 -4.5673 -4.5673 0.6851 0.6851 2.7789 2.7789 4.5380 4.5380 5.0496 5.0496 5.7580 5.7580 6.0404 6.0404 6.6269 6.6269 7.3417 7.3417 8.4810 8.4810 10.9876 10.9876 11.8116 11.8116 11.8337 11.8337 k =-0.4460 0.3308-0.0000 ( 4043 PWs) bands (ev): -13.9705 -13.9705 -13.9701 -13.9701 -13.9431 -13.9431 -13.9321 -13.9321 -12.9450 -12.9450 -12.9432 -12.9432 -12.9189 -12.9189 -12.9057 -12.9057 -12.9007 -12.9007 -12.8930 -12.8930 -5.3894 -5.3894 -4.5642 -4.5642 0.6481 0.6481 2.7393 2.7393 4.5662 4.5662 5.0692 5.0692 5.7725 5.7725 6.0272 6.0272 6.6798 6.6798 7.3187 7.3187 8.4970 8.4970 10.9004 10.9004 11.7062 11.7062 11.8507 11.8507 k =-0.4393 0.3491-0.0000 ( 4045 PWs) bands (ev): -13.9705 -13.9705 -13.9701 -13.9701 -13.9431 -13.9431 -13.9320 -13.9320 -12.9450 -12.9450 -12.9431 -12.9431 -12.9188 -12.9188 -12.9056 -12.9056 -12.9008 -12.9008 -12.8929 -12.8929 -5.3758 -5.3758 -4.5608 -4.5608 0.6080 0.6080 2.6955 2.6955 4.5969 4.5969 5.0913 5.0913 5.7883 5.7883 6.0176 6.0176 6.7340 6.7340 7.2925 7.2925 8.5162 8.5162 10.8065 10.8065 11.5778 11.5778 11.8839 11.8839 k =-0.4325 0.3673-0.0000 ( 4045 PWs) bands (ev): -13.9705 -13.9705 -13.9701 -13.9701 -13.9430 -13.9430 -13.9320 -13.9320 -12.9450 -12.9450 -12.9430 -12.9430 -12.9188 -12.9188 -12.9056 -12.9056 -12.9010 -12.9010 -12.8929 -12.8929 -5.3607 -5.3607 -4.5574 -4.5574 0.5651 0.5651 2.6479 2.6479 4.6299 4.6299 5.1158 5.1158 5.8053 5.8053 6.0117 6.0117 6.7888 6.7888 7.2633 7.2633 8.5389 8.5389 10.7072 10.7072 11.4439 11.4439 11.9145 11.9145 k =-0.4258 0.3856-0.0000 ( 4049 PWs) bands (ev): -13.9704 -13.9704 -13.9701 -13.9701 -13.9429 -13.9429 -13.9320 -13.9320 -12.9450 -12.9450 -12.9429 -12.9429 -12.9187 -12.9187 -12.9055 -12.9055 -12.9011 -12.9011 -12.8928 -12.8928 -5.3442 -5.3442 -4.5539 -4.5539 0.5201 0.5201 2.5967 2.5967 4.6647 4.6647 5.1426 5.1426 5.8232 5.8232 6.0099 6.0099 6.8435 6.8435 7.2320 7.2320 8.5650 8.5650 10.6035 10.6035 11.3060 11.3060 11.9381 11.9381 k =-0.4190 0.4038-0.0000 ( 4041 PWs) bands (ev): -13.9704 -13.9704 -13.9701 -13.9701 -13.9428 -13.9428 -13.9320 -13.9320 -12.9450 -12.9450 -12.9428 -12.9428 -12.9186 -12.9186 -12.9054 -12.9054 -12.9012 -12.9012 -12.8927 -12.8927 -5.3262 -5.3262 -4.5504 -4.5504 0.4735 0.4735 2.5424 2.5424 4.7009 4.7009 5.1717 5.1717 5.8415 5.8415 6.0122 6.0122 6.8963 6.8963 7.2003 7.2003 8.5947 8.5947 10.4966 10.4966 11.1655 11.1655 11.9492 11.9492 k =-0.4123 0.4221-0.0000 ( 4037 PWs) bands (ev): -13.9703 -13.9703 -13.9701 -13.9701 -13.9428 -13.9428 -13.9319 -13.9319 -12.9451 -12.9451 -12.9427 -12.9427 -12.9184 -12.9184 -12.9053 -12.9053 -12.9014 -12.9014 -12.8926 -12.8926 -5.3068 -5.3068 -4.5471 -4.5471 0.4258 0.4258 2.4853 2.4853 4.7382 4.7382 5.2030 5.2030 5.8601 5.8601 6.0187 6.0187 6.9435 6.9435 7.1725 7.1725 8.6278 8.6278 10.3875 10.3875 11.0234 11.0234 11.9425 11.9425 k =-0.4056 0.4404-0.0000 ( 4037 PWs) bands (ev): -13.9703 -13.9703 -13.9701 -13.9701 -13.9427 -13.9427 -13.9319 -13.9319 -12.9451 -12.9451 -12.9426 -12.9426 -12.9183 -12.9183 -12.9052 -12.9052 -12.9015 -12.9015 -12.8925 -12.8925 -5.2860 -5.2860 -4.5441 -4.5441 0.3776 0.3776 2.4259 2.4259 4.7760 4.7760 5.2364 5.2364 5.8787 5.8787 6.0296 6.0296 6.9757 6.9757 7.1583 7.1583 8.6642 8.6642 10.2770 10.2770 10.8805 10.8805 11.9151 11.9151 k =-0.3988 0.4586-0.0000 ( 4037 PWs) bands (ev): -13.9702 -13.9702 -13.9701 -13.9701 -13.9426 -13.9426 -13.9319 -13.9319 -12.9451 -12.9451 -12.9425 -12.9425 -12.9182 -12.9182 -12.9051 -12.9051 -12.9016 -12.9016 -12.8925 -12.8925 -5.2639 -5.2639 -4.5415 -4.5415 0.3293 0.3293 2.3646 2.3646 4.8139 4.8139 5.2718 5.2718 5.8972 5.8972 6.0444 6.0444 6.9792 6.9792 7.1719 7.1719 8.7037 8.7037 10.1663 10.1663 10.7377 10.7377 11.8670 11.8670 k =-0.3921 0.4769-0.0000 ( 4041 PWs) bands (ev): -13.9702 -13.9702 -13.9701 -13.9701 -13.9425 -13.9425 -13.9319 -13.9319 -12.9451 -12.9451 -12.9424 -12.9424 -12.9181 -12.9181 -12.9050 -12.9050 -12.9018 -12.9018 -12.8924 -12.8924 -5.2406 -5.2406 -4.5394 -4.5394 0.2815 0.2815 2.3016 2.3016 4.8513 4.8513 5.3090 5.3090 5.9158 5.9158 6.0629 6.0629 6.9565 6.9565 7.2116 7.2116 8.7460 8.7460 10.0561 10.0561 10.5956 10.5956 11.8013 11.8013 k =-0.3853 0.4951-0.0000 ( 4041 PWs) bands (ev): -13.9702 -13.9702 -13.9701 -13.9701 -13.9424 -13.9424 -13.9318 -13.9318 -12.9451 -12.9451 -12.9423 -12.9423 -12.9180 -12.9180 -12.9049 -12.9049 -12.9019 -12.9019 -12.8923 -12.8923 -5.2160 -5.2160 -4.5379 -4.5379 0.2347 0.2347 2.2375 2.2375 4.8876 4.8876 5.3480 5.3480 5.9345 5.9345 6.0844 6.0844 6.9214 6.9214 7.2642 7.2642 8.7908 8.7908 9.9475 9.9475 10.4549 10.4549 11.7217 11.7217 k =-0.3786 0.5134-0.0000 ( 4045 PWs) bands (ev): -13.9701 -13.9701 -13.9701 -13.9701 -13.9423 -13.9423 -13.9318 -13.9318 -12.9452 -12.9452 -12.9422 -12.9422 -12.9179 -12.9179 -12.9047 -12.9047 -12.9020 -12.9020 -12.8922 -12.8922 -5.1903 -5.1903 -4.5373 -4.5373 0.1893 0.1893 2.1725 2.1725 4.9220 4.9220 5.3888 5.3888 5.9538 5.9538 6.1083 6.1083 6.8821 6.8821 7.3225 7.3225 8.8373 8.8373 9.8414 9.8414 10.3162 10.3162 11.6317 11.6317 k =-0.3718 0.5317-0.0000 ( 4041 PWs) bands (ev): -13.9702 -13.9702 -13.9700 -13.9700 -13.9422 -13.9422 -13.9318 -13.9318 -12.9452 -12.9452 -12.9421 -12.9421 -12.9178 -12.9178 -12.9046 -12.9046 -12.9022 -12.9022 -12.8921 -12.8921 -5.1635 -5.1635 -4.5376 -4.5376 0.1457 0.1457 2.1070 2.1070 4.9537 4.9537 5.4311 5.4311 5.9739 5.9739 6.1338 6.1338 6.8424 6.8424 7.3834 7.3834 8.8849 8.8849 9.7393 9.7393 10.1800 10.1800 11.5341 11.5341 k =-0.3651 0.5499-0.0000 ( 4037 PWs) bands (ev): -13.9702 -13.9702 -13.9700 -13.9700 -13.9421 -13.9421 -13.9318 -13.9318 -12.9452 -12.9452 -12.9420 -12.9420 -12.9176 -12.9176 -12.9045 -12.9045 -12.9023 -12.9023 -12.8921 -12.8921 -5.1357 -5.1357 -4.5389 -4.5389 0.1044 0.1044 2.0414 2.0414 4.9818 4.9818 5.4750 5.4750 5.9950 5.9950 6.1603 6.1603 6.8047 6.8047 7.4456 7.4456 8.9322 8.9322 9.6429 9.6429 10.0472 10.0472 11.4309 11.4309 k =-0.3583 0.5682-0.0000 ( 4039 PWs) bands (ev): -13.9702 -13.9702 -13.9699 -13.9699 -13.9420 -13.9420 -13.9317 -13.9317 -12.9452 -12.9452 -12.9419 -12.9419 -12.9175 -12.9175 -12.9044 -12.9044 -12.9024 -12.9024 -12.8920 -12.8920 -5.1069 -5.1069 -4.5414 -4.5414 0.0658 0.0658 1.9759 1.9759 5.0054 5.0054 5.5203 5.5203 6.0173 6.0173 6.1871 6.1871 6.7705 6.7705 7.5083 7.5083 8.9765 8.9765 9.5550 9.5550 9.9185 9.9185 11.3237 11.3237 k =-0.3516 0.5864-0.0000 ( 4041 PWs) bands (ev): -13.9702 -13.9702 -13.9699 -13.9699 -13.9419 -13.9419 -13.9317 -13.9317 -12.9453 -12.9453 -12.9418 -12.9418 -12.9174 -12.9174 -12.9042 -12.9042 -12.9025 -12.9025 -12.8919 -12.8919 -5.0773 -5.0773 -4.5452 -4.5452 0.0302 0.0302 1.9109 1.9109 5.0233 5.0233 5.5671 5.5671 6.0406 6.0406 6.2135 6.2135 6.7414 6.7414 7.5707 7.5707 9.0133 9.0133 9.4808 9.4808 9.7948 9.7948 11.2136 11.2136 k =-0.3448 0.6047-0.0000 ( 4037 PWs) bands (ev): -13.9702 -13.9702 -13.9698 -13.9698 -13.9418 -13.9418 -13.9317 -13.9317 -12.9453 -12.9453 -12.9417 -12.9417 -12.9173 -12.9173 -12.9041 -12.9041 -12.9026 -12.9026 -12.8919 -12.8919 -5.0468 -5.0468 -4.5505 -4.5505 -0.0019 -0.0019 1.8467 1.8467 5.0346 5.0346 5.6154 5.6154 6.0652 6.0652 6.2390 6.2390 6.7187 6.7187 7.6322 7.6322 9.0342 9.0342 9.4289 9.4289 9.6772 9.6772 11.1018 11.1018 k =-0.3381 0.6230-0.0000 ( 4041 PWs) bands (ev): -13.9702 -13.9702 -13.9698 -13.9698 -13.9417 -13.9417 -13.9317 -13.9317 -12.9453 -12.9453 -12.9417 -12.9417 -12.9172 -12.9172 -12.9040 -12.9040 -12.9026 -12.9026 -12.8918 -12.8918 -5.0157 -5.0157 -4.5574 -4.5574 -0.0304 -0.0304 1.7836 1.7836 5.0384 5.0384 5.6650 5.6650 6.0907 6.0907 6.2627 6.2627 6.7034 6.7034 7.6918 7.6918 9.0294 9.0294 9.4091 9.4091 9.5672 9.5672 10.9888 10.9888 k =-0.3313 0.6412-0.0000 ( 4035 PWs) bands (ev): -13.9703 -13.9703 -13.9697 -13.9697 -13.9417 -13.9417 -13.9317 -13.9317 -12.9453 -12.9453 -12.9416 -12.9416 -12.9172 -12.9172 -12.9039 -12.9039 -12.9027 -12.9027 -12.8918 -12.8918 -4.9839 -4.9839 -4.5658 -4.5658 -0.0548 -0.0548 1.7218 1.7218 5.0340 5.0340 5.7158 5.7158 6.1171 6.1171 6.2841 6.2841 6.6967 6.6967 7.7482 7.7482 8.9980 8.9980 9.4204 9.4204 9.4687 9.4687 10.8756 10.8756 k =-0.3246 0.6595-0.0000 ( 4031 PWs) bands (ev): -13.9703 -13.9703 -13.9696 -13.9696 -13.9416 -13.9416 -13.9317 -13.9317 -12.9454 -12.9454 -12.9415 -12.9415 -12.9171 -12.9171 -12.9038 -12.9038 -12.9028 -12.9028 -12.8917 -12.8917 -4.9516 -4.9516 -4.5761 -4.5761 -0.0750 -0.0750 1.6616 1.6616 5.0213 5.0213 5.7679 5.7679 6.1440 6.1440 6.3022 6.3022 6.6993 6.6993 7.8000 7.8000 8.9502 8.9502 9.3711 9.3711 9.4651 9.4651 10.7628 10.7628 k =-0.3179 0.6777-0.0000 ( 4035 PWs) bands (ev): -13.9703 -13.9703 -13.9696 -13.9696 -13.9415 -13.9415 -13.9317 -13.9317 -12.9454 -12.9454 -12.9415 -12.9415 -12.9170 -12.9170 -12.9037 -12.9037 -12.9028 -12.9028 -12.8917 -12.8917 -4.9189 -4.9189 -4.5881 -4.5881 -0.0907 -0.0907 1.6032 1.6032 5.0001 5.0001 5.8210 5.8210 6.1708 6.1708 6.3165 6.3165 6.7116 6.7116 7.8447 7.8447 8.8976 8.8976 9.2933 9.2933 9.5155 9.5155 10.6514 10.6514 k =-0.3111 0.6960-0.0000 ( 4037 PWs) bands (ev): -13.9703 -13.9703 -13.9695 -13.9695 -13.9414 -13.9414 -13.9317 -13.9317 -12.9454 -12.9454 -12.9414 -12.9414 -12.9170 -12.9170 -12.9036 -12.9036 -12.9028 -12.9028 -12.8916 -12.8916 -4.8859 -4.8859 -4.6021 -4.6021 -0.1017 -0.1017 1.5470 1.5470 4.9709 4.9709 5.8747 5.8747 6.1969 6.1969 6.3267 6.3267 6.7337 6.7337 7.8795 7.8795 8.8483 8.8483 9.2284 9.2284 9.5732 9.5732 10.5427 10.5427 k =-0.3044 0.7143-0.0000 ( 4039 PWs) bands (ev): -13.9704 -13.9704 -13.9695 -13.9695 -13.9413 -13.9413 -13.9317 -13.9317 -12.9455 -12.9455 -12.9414 -12.9414 -12.9170 -12.9170 -12.9035 -12.9035 -12.9029 -12.9029 -12.8916 -12.8916 -4.8526 -4.8526 -4.6179 -4.6179 -0.1079 -0.1079 1.4930 1.4930 4.9343 4.9343 5.9289 5.9289 6.2205 6.2205 6.3336 6.3336 6.7653 6.7653 7.9008 7.9008 8.8082 8.8082 9.1785 9.1785 9.6324 9.6324 10.4387 10.4387 k =-0.2976 0.7325-0.0000 ( 4039 PWs) bands (ev): -13.9704 -13.9704 -13.9694 -13.9694 -13.9413 -13.9413 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9034 -12.9034 -12.9029 -12.9029 -12.8915 -12.8915 -4.8192 -4.8192 -4.6356 -4.6356 -0.1091 -0.1091 1.4416 1.4416 4.8912 4.8912 5.9830 5.9830 6.2385 6.2385 6.3398 6.3398 6.8059 6.8059 7.9054 7.9054 8.7819 8.7819 9.1444 9.1444 9.6876 9.6876 10.3433 10.3433 k =-0.2909 0.7508-0.0000 ( 4037 PWs) bands (ev): -13.9704 -13.9704 -13.9694 -13.9694 -13.9412 -13.9412 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9034 -12.9034 -12.9028 -12.9028 -12.8915 -12.8915 -4.7859 -4.7859 -4.6552 -4.6552 -0.1052 -0.1052 1.3929 1.3929 4.8424 4.8424 6.0365 6.0365 6.2459 6.2459 6.3502 6.3502 6.8546 6.8546 7.8914 7.8914 8.7724 8.7724 9.1268 9.1268 9.7303 9.7303 10.2642 10.2642 k =-0.2841 0.7690-0.0000 ( 4033 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8915 -12.8915 -4.7526 -4.7526 -4.6766 -4.6766 -0.0963 -0.0963 1.3472 1.3472 4.7888 4.7888 6.0885 6.0885 6.2399 6.2399 6.3679 6.3679 6.9105 6.9105 7.8594 7.8594 8.7798 8.7798 9.1255 9.1255 9.7466 9.7466 10.2145 10.2145 k =-0.2841 0.7690-0.0000 ( 4033 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8915 -12.8915 -4.7526 -4.7526 -4.6766 -4.6766 -0.0963 -0.0963 1.3472 1.3472 4.7888 4.7888 6.0885 6.0885 6.2399 6.2399 6.3679 6.3679 6.9105 6.9105 7.8594 7.8594 8.7798 8.7798 9.1255 9.1255 9.7466 9.7466 10.2145 10.2145 k =-0.2841 0.7690 0.0195 ( 4039 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8915 -12.8915 -4.7521 -4.7521 -4.6762 -4.6762 -0.0949 -0.0949 1.3480 1.3480 4.7866 4.7866 6.0754 6.0754 6.2305 6.2305 6.3632 6.3632 6.9264 6.9264 7.8336 7.8336 8.7964 8.7964 9.1501 9.1501 9.7292 9.7292 10.2110 10.2110 k =-0.2841 0.7690 0.0391 ( 4039 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8915 -12.8915 -4.7505 -4.7505 -4.6748 -4.6748 -0.0908 -0.0908 1.3504 1.3504 4.7796 4.7796 6.0384 6.0384 6.2032 6.2032 6.3504 6.3504 6.9701 6.9701 7.7633 7.7633 8.8421 8.8421 9.2199 9.2199 9.6797 9.6797 10.2064 10.2064 k =-0.2841 0.7690 0.0586 ( 4040 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9411 -13.9411 -13.9317 -13.9317 -12.9455 -12.9455 -12.9413 -12.9413 -12.9169 -12.9169 -12.9033 -12.9033 -12.9028 -12.9028 -12.8915 -12.8915 -4.7480 -4.7480 -4.6725 -4.6725 -0.0839 -0.0839 1.3544 1.3544 4.7675 4.7675 5.9833 5.9833 6.1595 6.1595 6.3324 6.3324 7.0325 7.0325 7.6634 7.6634 8.9100 8.9100 9.3231 9.3231 9.6071 9.6071 10.2100 10.2100 k =-0.2841 0.7690 0.0782 ( 4042 PWs) bands (ev): -13.9705 -13.9705 -13.9693 -13.9693 -13.9410 -13.9410 -13.9317 -13.9317 -12.9455 -12.9455 -12.9414 -12.9414 -12.9170 -12.9170 -12.9033 -12.9033 -12.9027 -12.9027 -12.8915 -12.8915 -4.7444 -4.7444 -4.6692 -4.6692 -0.0743 -0.0743 1.3599 1.3599 4.7497 4.7497 5.9176 5.9176 6.1007 6.1007 6.3105 6.3105 7.1042 7.1042 7.5478 7.5478 8.9942 8.9942 9.4262 9.4262 9.5453 9.5453 10.2257 10.2257 k =-0.2841 0.7690 0.0977 ( 4051 PWs) bands (ev): -13.9705 -13.9705 -13.9694 -13.9694 -13.9410 -13.9410 -13.9318 -13.9318 -12.9455 -12.9455 -12.9415 -12.9415 -12.9170 -12.9170 -12.9034 -12.9034 -12.9026 -12.9026 -12.8915 -12.8915 -4.7398 -4.7398 -4.6651 -4.6651 -0.0619 -0.0619 1.3670 1.3670 4.7254 4.7254 5.8477 5.8477 6.0290 6.0290 6.2845 6.2845 7.1754 7.1754 7.4293 7.4293 9.0868 9.0868 9.3932 9.3932 9.6350 9.6350 10.2537 10.2537 k =-0.2841 0.7690 0.1173 ( 4053 PWs) bands (ev): -13.9706 -13.9706 -13.9694 -13.9694 -13.9409 -13.9409 -13.9318 -13.9318 -12.9455 -12.9455 -12.9416 -12.9416 -12.9170 -12.9170 -12.9034 -12.9034 -12.9024 -12.9024 -12.8916 -12.8916 -4.7343 -4.7343 -4.6602 -4.6602 -0.0468 -0.0468 1.3755 1.3755 4.6937 4.6937 5.7782 5.7782 5.9471 5.9471 6.2527 6.2527 7.2181 7.2181 7.3373 7.3373 9.1556 9.1556 9.3413 9.3413 9.7901 9.7901 10.2931 10.2931 k =-0.2841 0.7690 0.1368 ( 4050 PWs) bands (ev): -13.9706 -13.9706 -13.9694 -13.9694 -13.9409 -13.9409 -13.9318 -13.9318 -12.9456 -12.9456 -12.9417 -12.9417 -12.9170 -12.9170 -12.9035 -12.9035 -12.9022 -12.9022 -12.8916 -12.8916 -4.7279 -4.7279 -4.6544 -4.6544 -0.0289 -0.0289 1.3855 1.3855 4.6539 4.6539 5.7122 5.7122 5.8581 5.8581 6.2129 6.2129 7.1517 7.1517 7.3528 7.3528 9.1235 9.1235 9.4006 9.4006 9.9568 9.9568 10.3436 10.3436 k =-0.2841 0.7690 0.1564 ( 4043 PWs) bands (ev): -13.9706 -13.9706 -13.9694 -13.9694 -13.9408 -13.9408 -13.9318 -13.9318 -12.9456 -12.9456 -12.9418 -12.9418 -12.9170 -12.9170 -12.9036 -12.9036 -12.9020 -12.9020 -12.8916 -12.8916 -4.7205 -4.7205 -4.6478 -4.6478 -0.0084 -0.0084 1.3968 1.3968 4.6054 4.6054 5.6501 5.6501 5.7659 5.7659 6.1629 6.1629 7.0500 7.0500 7.4019 7.4019 9.0450 9.0450 9.5236 9.5236 10.1274 10.1274 10.4057 10.4057 k =-0.2841 0.7690 0.1759 ( 4045 PWs) bands (ev): -13.9707 -13.9707 -13.9695 -13.9695 -13.9407 -13.9407 -13.9319 -13.9319 -12.9456 -12.9456 -12.9419 -12.9419 -12.9170 -12.9170 -12.9038 -12.9038 -12.9018 -12.9018 -12.8916 -12.8916 -4.7123 -4.7123 -4.6405 -4.6405 0.0149 0.0149 1.4094 1.4094 4.5483 4.5483 5.5877 5.5877 5.6776 5.6776 6.1008 6.1008 6.9554 6.9554 7.4410 7.4410 8.9692 8.9692 9.6650 9.6650 10.2958 10.2958 10.4825 10.4825 k =-0.2841 0.7690 0.1955 ( 4045 PWs) bands (ev): -13.9707 -13.9707 -13.9695 -13.9695 -13.9406 -13.9406 -13.9319 -13.9319 -12.9456 -12.9456 -12.9420 -12.9420 -12.9170 -12.9170 -12.9039 -12.9039 -12.9015 -12.9015 -12.8916 -12.8916 -4.7033 -4.7033 -4.6325 -4.6325 0.0408 0.0408 1.4231 1.4231 4.4830 4.4830 5.5116 5.5116 5.6080 5.6080 6.0263 6.0263 6.8740 6.8740 7.4616 7.4616 8.9085 8.9085 9.8157 9.8157 10.4495 10.4495 10.5843 10.5843 k =-0.2841 0.7690 0.2150 ( 4043 PWs) bands (ev): -13.9707 -13.9707 -13.9695 -13.9695 -13.9405 -13.9405 -13.9320 -13.9320 -12.9457 -12.9457 -12.9422 -12.9422 -12.9170 -12.9170 -12.9041 -12.9041 -12.9012 -12.9012 -12.8917 -12.8917 -4.6935 -4.6935 -4.6238 -4.6238 0.0695 0.0695 1.4380 1.4380 4.4104 4.4104 5.4171 5.4171 5.5618 5.5618 5.9408 5.9408 6.8066 6.8066 7.4595 7.4595 8.8683 8.8683 9.9724 9.9724 10.5733 10.5733 10.7248 10.7248 k =-0.2841 0.7690 0.2346 ( 4041 PWs) bands (ev): -13.9708 -13.9708 -13.9696 -13.9696 -13.9404 -13.9404 -13.9320 -13.9320 -12.9457 -12.9457 -12.9423 -12.9423 -12.9170 -12.9170 -12.9043 -12.9043 -12.9009 -12.9009 -12.8917 -12.8917 -4.6830 -4.6830 -4.6145 -4.6145 0.1007 0.1007 1.4538 1.4538 4.3320 4.3320 5.3137 5.3137 5.5277 5.5277 5.8484 5.8484 6.7521 6.7521 7.4334 7.4334 8.8505 8.8505 10.1331 10.1331 10.6795 10.6795 10.8901 10.8901 k =-0.2841 0.7690 0.2541 ( 4039 PWs) bands (ev): -13.9708 -13.9708 -13.9696 -13.9696 -13.9402 -13.9402 -13.9321 -13.9321 -12.9457 -12.9457 -12.9425 -12.9425 -12.9170 -12.9170 -12.9045 -12.9045 -12.9006 -12.9006 -12.8917 -12.8917 -4.6718 -4.6718 -4.6047 -4.6047 0.1346 0.1346 1.4704 1.4704 4.2491 4.2491 5.2066 5.2066 5.4963 5.4963 5.7560 5.7560 6.7081 6.7081 7.3847 7.3847 8.8542 8.8542 10.2962 10.2962 10.7843 10.7843 11.0627 11.0627 k =-0.2841 0.7690 0.2737 ( 4043 PWs) bands (ev): -13.9709 -13.9709 -13.9697 -13.9697 -13.9401 -13.9401 -13.9322 -13.9322 -12.9458 -12.9458 -12.9426 -12.9426 -12.9170 -12.9170 -12.9047 -12.9047 -12.9003 -12.9003 -12.8917 -12.8917 -4.6601 -4.6601 -4.5944 -4.5944 0.1711 0.1711 1.4877 1.4877 4.1630 4.1630 5.0974 5.0974 5.4568 5.4568 5.6753 5.6753 6.6718 6.6718 7.3171 7.3171 8.8765 8.8765 10.4600 10.4600 10.8927 10.8927 11.2360 11.2360 k =-0.2841 0.7690 0.2932 ( 4042 PWs) bands (ev): -13.9709 -13.9709 -13.9697 -13.9697 -13.9399 -13.9399 -13.9322 -13.9322 -12.9458 -12.9458 -12.9428 -12.9428 -12.9169 -12.9169 -12.9050 -12.9050 -12.9000 -12.9000 -12.8917 -12.8917 -4.6478 -4.6478 -4.5837 -4.5837 0.2101 0.2101 1.5055 1.5055 4.0751 4.0751 4.9868 4.9868 5.3966 5.3966 5.6204 5.6204 6.6410 6.6410 7.2350 7.2350 8.9134 8.9134 10.6231 10.6231 11.0058 11.0058 11.4072 11.4072 k =-0.2841 0.7690 0.3128 ( 4044 PWs) bands (ev): -13.9710 -13.9710 -13.9698 -13.9698 -13.9398 -13.9398 -13.9323 -13.9323 -12.9459 -12.9459 -12.9430 -12.9430 -12.9169 -12.9169 -12.9052 -12.9052 -12.8997 -12.8997 -12.8916 -12.8916 -4.6351 -4.6351 -4.5727 -4.5727 0.2516 0.2516 1.5236 1.5236 3.9864 3.9864 4.8748 4.8748 5.3152 5.3152 5.5932 5.5932 6.6135 6.6135 7.1431 7.1431 8.9612 8.9612 10.7833 10.7833 11.1236 11.1236 11.5745 11.5745 k =-0.2841 0.7690 0.3323 ( 4050 PWs) bands (ev): -13.9711 -13.9711 -13.9698 -13.9698 -13.9396 -13.9396 -13.9324 -13.9324 -12.9460 -12.9460 -12.9431 -12.9431 -12.9168 -12.9168 -12.9055 -12.9055 -12.8994 -12.8994 -12.8916 -12.8916 -4.6221 -4.6221 -4.5615 -4.5615 0.2956 0.2956 1.5418 1.5418 3.8980 3.8980 4.7613 4.7613 5.2243 5.2243 5.5833 5.5833 6.5873 6.5873 7.0457 7.0457 9.0170 9.0170 10.9386 10.9386 11.2454 11.2454 11.7366 11.7366 k =-0.2841 0.7690 0.3518 ( 4049 PWs) bands (ev): -13.9711 -13.9711 -13.9699 -13.9699 -13.9395 -13.9395 -13.9325 -13.9325 -12.9460 -12.9460 -12.9433 -12.9433 -12.9167 -12.9167 -12.9058 -12.9058 -12.8991 -12.8991 -12.8915 -12.8915 -4.6087 -4.6087 -4.5501 -4.5501 0.3420 0.3420 1.5599 1.5599 3.8105 3.8105 4.6463 4.6463 5.1329 5.1329 5.5826 5.5826 6.5605 6.5605 6.9468 6.9468 9.0784 9.0784 11.0861 11.0861 11.3701 11.3701 11.8922 11.8922 k =-0.2841 0.7690 0.3714 ( 4051 PWs) bands (ev): -13.9712 -13.9712 -13.9700 -13.9700 -13.9393 -13.9393 -13.9326 -13.9326 -12.9461 -12.9461 -12.9435 -12.9435 -12.9167 -12.9167 -12.9061 -12.9061 -12.8988 -12.8988 -12.8915 -12.8915 -4.5952 -4.5952 -4.5387 -4.5387 0.3907 0.3907 1.5776 1.5776 3.7246 3.7246 4.5300 4.5300 5.0457 5.0457 5.5868 5.5868 6.5303 6.5303 6.8507 6.8507 9.1439 9.1439 11.2223 11.2223 11.4962 11.4962 12.0402 12.0402 k =-0.2841 0.7690 0.3909 ( 4051 PWs) bands (ev): -13.9712 -13.9712 -13.9700 -13.9700 -13.9391 -13.9391 -13.9327 -13.9327 -12.9462 -12.9462 -12.9436 -12.9436 -12.9166 -12.9166 -12.9064 -12.9064 -12.8985 -12.8985 -12.8914 -12.8914 -4.5816 -4.5816 -4.5273 -4.5273 0.4417 0.4417 1.5948 1.5948 3.6411 3.6411 4.4125 4.4125 4.9651 4.9651 5.5933 5.5933 6.4930 6.4930 6.7628 6.7628 9.2124 9.2124 11.3426 11.3426 11.6221 11.6221 12.1800 12.1800 k =-0.2841 0.7690 0.4105 ( 4057 PWs) bands (ev): -13.9713 -13.9713 -13.9701 -13.9701 -13.9389 -13.9389 -13.9328 -13.9328 -12.9462 -12.9462 -12.9438 -12.9438 -12.9165 -12.9165 -12.9067 -12.9067 -12.8982 -12.8982 -12.8913 -12.8913 -4.5679 -4.5679 -4.5159 -4.5159 0.4949 0.4949 1.6110 1.6110 3.5602 3.5602 4.2946 4.2946 4.8923 4.8923 5.6003 5.6003 6.4442 6.4442 6.6889 6.6889 9.2833 9.2833 11.4412 11.4412 11.7465 11.7465 12.3121 12.3121 k =-0.2841 0.7690 0.4300 ( 4061 PWs) bands (ev): -13.9713 -13.9713 -13.9701 -13.9701 -13.9387 -13.9387 -13.9329 -13.9329 -12.9463 -12.9463 -12.9439 -12.9439 -12.9164 -12.9164 -12.9070 -12.9070 -12.8979 -12.8979 -12.8912 -12.8912 -4.5543 -4.5543 -4.5048 -4.5048 0.5502 0.5502 1.6261 1.6261 3.4826 3.4826 4.1769 4.1769 4.8277 4.8277 5.6060 5.6060 6.3823 6.3823 6.6324 6.6324 9.3559 9.3559 11.5120 11.5120 11.8691 11.8691 12.4380 12.4380 k =-0.2841 0.7690 0.4496 ( 4055 PWs) bands (ev): -13.9714 -13.9714 -13.9702 -13.9702 -13.9385 -13.9385 -13.9330 -13.9330 -12.9464 -12.9464 -12.9441 -12.9441 -12.9163 -12.9163 -12.9073 -12.9073 -12.8977 -12.8977 -12.8911 -12.8911 -4.5409 -4.5409 -4.4940 -4.4940 0.6074 0.6074 1.6396 1.6396 3.4085 3.4085 4.0600 4.0600 4.7718 4.7718 5.6081 5.6081 6.3119 6.3119 6.5907 6.5907 9.4301 9.4301 11.5511 11.5511 11.9901 11.9901 12.5594 12.5594 k =-0.2841 0.7690 0.4691 ( 4061 PWs) bands (ev): -13.9714 -13.9714 -13.9703 -13.9703 -13.9383 -13.9383 -13.9331 -13.9331 -12.9465 -12.9465 -12.9442 -12.9442 -12.9161 -12.9161 -12.9076 -12.9076 -12.8974 -12.8974 -12.8910 -12.8910 -4.5277 -4.5277 -4.4836 -4.4836 0.6664 0.6664 1.6513 1.6513 3.3384 3.3384 3.9449 3.9449 4.7245 4.7245 5.6041 5.6041 6.2413 6.2413 6.5585 6.5585 9.5057 9.5057 11.5592 11.5592 12.1090 12.1090 12.6760 12.6760 k =-0.2841 0.7690 0.4887 ( 4062 PWs) bands (ev): -13.9715 -13.9715 -13.9703 -13.9703 -13.9381 -13.9381 -13.9332 -13.9332 -12.9466 -12.9466 -12.9444 -12.9444 -12.9160 -12.9160 -12.9079 -12.9079 -12.8972 -12.8972 -12.8909 -12.8909 -4.5149 -4.5149 -4.4736 -4.4736 0.7271 0.7271 1.6609 1.6609 3.2727 3.2727 3.8323 3.8323 4.6860 4.6860 5.5905 5.5905 6.1780 6.1780 6.5313 6.5313 9.5826 9.5826 11.5406 11.5406 12.2251 12.2251 12.7829 12.7829 k =-0.2841 0.7690 0.5082 ( 4058 PWs) bands (ev): -13.9715 -13.9715 -13.9704 -13.9704 -13.9379 -13.9379 -13.9334 -13.9334 -12.9466 -12.9466 -12.9445 -12.9445 -12.9159 -12.9159 -12.9083 -12.9083 -12.8970 -12.8970 -12.8908 -12.8908 -4.5026 -4.5026 -4.4642 -4.4642 0.7892 0.7892 1.6678 1.6678 3.2115 3.2115 3.7230 3.7230 4.6560 4.6560 5.5642 5.5642 6.1279 6.1279 6.5068 6.5068 9.6606 9.6606 11.5011 11.5011 12.3369 12.3369 12.8699 12.8699 k =-0.2841 0.7690 0.5278 ( 4062 PWs) bands (ev): -13.9716 -13.9716 -13.9704 -13.9704 -13.9377 -13.9377 -13.9335 -13.9335 -12.9467 -12.9467 -12.9446 -12.9446 -12.9157 -12.9157 -12.9086 -12.9086 -12.8968 -12.8968 -12.8907 -12.8907 -4.4907 -4.4907 -4.4555 -4.4555 0.8525 0.8525 1.6718 1.6718 3.1553 3.1553 3.6178 3.6178 4.6347 4.6347 5.5236 5.5236 6.0940 6.0940 6.4834 6.4834 9.7398 9.7398 11.4460 11.4460 12.4429 12.4429 12.9257 12.9257 k =-0.2841 0.7690 0.5473 ( 4064 PWs) bands (ev): -13.9716 -13.9716 -13.9705 -13.9705 -13.9375 -13.9375 -13.9337 -13.9337 -12.9468 -12.9468 -12.9447 -12.9447 -12.9156 -12.9156 -12.9088 -12.9088 -12.8967 -12.8967 -12.8906 -12.8906 -4.4796 -4.4796 -4.4475 -4.4475 0.9168 0.9168 1.6724 1.6724 3.1045 3.1045 3.5174 3.5174 4.6218 4.6218 5.4697 5.4697 6.0760 6.0760 6.4605 6.4605 9.8201 9.8201 11.3798 11.3798 12.5412 12.5412 12.9503 12.9503 k =-0.2841 0.7690 0.5669 ( 4058 PWs) bands (ev): -13.9716 -13.9716 -13.9705 -13.9705 -13.9373 -13.9373 -13.9338 -13.9338 -12.9468 -12.9468 -12.9448 -12.9448 -12.9155 -12.9155 -12.9091 -12.9091 -12.8965 -12.8965 -12.8905 -12.8905 -4.4691 -4.4691 -4.4403 -4.4403 0.9816 0.9816 1.6692 1.6692 3.0592 3.0592 3.4226 3.4226 4.6172 4.6172 5.4058 5.4058 6.0713 6.0713 6.4375 6.4375 9.9016 9.9016 11.3057 11.3057 12.6299 12.6299 12.9559 12.9559 k =-0.2841 0.7690 0.5864 ( 4056 PWs) bands (ev): -13.9717 -13.9717 -13.9706 -13.9706 -13.9371 -13.9371 -13.9340 -13.9340 -12.9469 -12.9469 -12.9449 -12.9449 -12.9153 -12.9153 -12.9094 -12.9094 -12.8964 -12.8964 -12.8904 -12.8904 -4.4594 -4.4594 -4.4340 -4.4340 1.0466 1.0466 1.6617 1.6617 3.0201 3.0201 3.3342 3.3342 4.6207 4.6207 5.3357 5.3357 6.0765 6.0765 6.4144 6.4144 9.9840 9.9840 11.2261 11.2261 12.7068 12.7068 12.9539 12.9539 k =-0.2841 0.7690 0.6060 ( 4054 PWs) bands (ev): -13.9717 -13.9717 -13.9706 -13.9706 -13.9369 -13.9369 -13.9341 -13.9341 -12.9470 -12.9470 -12.9450 -12.9450 -12.9152 -12.9152 -12.9096 -12.9096 -12.8963 -12.8963 -12.8903 -12.8903 -4.4506 -4.4506 -4.4287 -4.4287 1.1113 1.1113 1.6494 1.6494 2.9873 2.9873 3.2530 3.2530 4.6320 4.6320 5.2626 5.2626 6.0886 6.0886 6.3909 6.3909 10.0674 10.0674 11.1428 11.1428 12.7696 12.7696 12.9510 12.9510 k =-0.2841 0.7690 0.6255 ( 4054 PWs) bands (ev): -13.9717 -13.9717 -13.9706 -13.9706 -13.9367 -13.9367 -13.9343 -13.9343 -12.9470 -12.9470 -12.9451 -12.9451 -12.9151 -12.9151 -12.9098 -12.9098 -12.8962 -12.8962 -12.8902 -12.8902 -4.4428 -4.4428 -4.4244 -4.4244 1.1753 1.1753 1.6321 1.6321 2.9615 2.9615 3.1798 3.1798 4.6509 4.6509 5.1889 5.1889 6.1054 6.1054 6.3672 6.3672 10.1515 10.1515 11.0571 11.0571 12.8166 12.8166 12.9503 12.9503 k =-0.2841 0.7690 0.6451 ( 4053 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9365 -13.9365 -13.9344 -13.9344 -12.9470 -12.9470 -12.9451 -12.9451 -12.9149 -12.9149 -12.9100 -12.9100 -12.8961 -12.8961 -12.8901 -12.8901 -4.4359 -4.4359 -4.4211 -4.4211 1.2379 1.2379 1.6093 1.6093 2.9430 2.9430 3.1153 3.1153 4.6770 4.6770 5.1167 5.1167 6.1250 6.1250 6.3434 6.3434 10.2361 10.2361 10.9703 10.9703 12.8476 12.8476 12.9528 12.9528 k =-0.2841 0.7690 0.6646 ( 4052 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9364 -13.9364 -13.9346 -13.9346 -12.9471 -12.9471 -12.9451 -12.9451 -12.9149 -12.9149 -12.9102 -12.9102 -12.8961 -12.8961 -12.8901 -12.8901 -4.4301 -4.4301 -4.4190 -4.4190 1.2984 1.2984 1.5808 1.5808 2.9323 2.9323 3.0600 3.0600 4.7097 4.7097 5.0473 5.0473 6.1461 6.1461 6.3199 6.3199 10.3206 10.3206 10.8836 10.8836 12.8656 12.8656 12.9571 12.9571 k =-0.2841 0.7690 0.6841 ( 4058 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9362 -13.9362 -13.9347 -13.9347 -12.9471 -12.9471 -12.9452 -12.9452 -12.9148 -12.9148 -12.9103 -12.9103 -12.8960 -12.8960 -12.8900 -12.8900 -4.4254 -4.4254 -4.4179 -4.4179 1.3562 1.3562 1.5465 1.5465 2.9301 2.9301 3.0145 3.0145 4.7481 4.7481 4.9824 4.9824 6.1670 6.1670 6.2976 6.2976 10.4032 10.4032 10.7990 10.7990 12.8752 12.8752 12.9607 12.9607 k =-0.2841 0.7690 0.7037 ( 4064 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9471 -12.9471 -12.9452 -12.9452 -12.9147 -12.9147 -12.9104 -12.9104 -12.8960 -12.8960 -12.8900 -12.8900 -4.4218 -4.4218 -4.4180 -4.4180 1.4102 1.4102 1.5069 1.5069 2.9367 2.9367 2.9789 2.9789 4.7891 4.7891 4.9252 4.9252 6.1847 6.1847 6.2793 6.2793 10.4782 10.4782 10.7228 10.7228 12.8800 12.8800 12.9627 12.9627 k =-0.2841 0.7690 0.7232 ( 4060 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9471 -12.9471 -12.9452 -12.9452 -12.9147 -12.9147 -12.9104 -12.9104 -12.8960 -12.8960 -12.8900 -12.8900 -4.4196 -4.4196 -4.4191 -4.4191 1.4533 1.4533 1.4686 1.4686 2.9503 2.9503 2.9556 2.9556 4.8150 4.8150 4.8940 4.8940 6.1925 6.1925 6.2713 6.2713 10.5175 10.5175 10.6831 10.6831 12.8814 12.8814 12.9633 12.9633 k =-0.2841 0.7690 0.7232 ( 4060 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9471 -12.9471 -12.9452 -12.9452 -12.9147 -12.9147 -12.9104 -12.9104 -12.8960 -12.8960 -12.8900 -12.8900 -4.4196 -4.4196 -4.4191 -4.4191 1.4533 1.4533 1.4686 1.4686 2.9503 2.9503 2.9556 2.9556 4.8150 4.8150 4.8940 4.8940 6.1925 6.1925 6.2713 6.2713 10.5175 10.5175 10.6831 10.6831 12.8814 12.8814 12.9633 12.9633 k =-0.2909 0.7508 0.7232 ( 4072 PWs) bands (ev): -13.9718 -13.9718 -13.9707 -13.9707 -13.9361 -13.9361 -13.9348 -13.9348 -12.9470 -12.9470 -12.9452 -12.9452 -12.9148 -12.9148 -12.9105 -12.9105 -12.8959 -12.8959 -12.8900 -12.8900 -4.4245 -4.4245 -4.4241 -4.4241 1.4045 1.4045 1.4189 1.4189 2.9853 2.9853 2.9925 2.9925 4.8850 4.8850 4.9687 4.9687 6.2326 6.2326 6.3160 6.3160 10.4407 10.4407 10.6083 10.6083 12.8614 12.8614 12.9530 12.9530 k =-0.2976 0.7325 0.7232 ( 4070 PWs) bands (ev): -13.9718 -13.9718 -13.9706 -13.9706 -13.9361 -13.9361 -13.9348 -13.9348 -12.9468 -12.9468 -12.9451 -12.9451 -12.9148 -12.9148 -12.9107 -12.9107 -12.8958 -12.8958 -12.8900 -12.8900 -4.4305 -4.4305 -4.4300 -4.4300 1.3531 1.3531 1.3667 1.3667 3.0280 3.0280 3.0370 3.0370 4.9600 4.9600 5.0488 5.0488 6.2723 6.2723 6.3606 6.3606 10.3628 10.3628 10.5325 10.5325 12.8384 12.8384 12.9452 12.9452 k =-0.3044 0.7143 0.7232 ( 4074 PWs) bands (ev): -13.9718 -13.9718 -13.9706 -13.9706 -13.9361 -13.9361 -13.9348 -13.9348 -12.9466 -12.9466 -12.9450 -12.9450 -12.9149 -12.9149 -12.9108 -12.9108 -12.8957 -12.8957 -12.8901 -12.8901 -4.4375 -4.4375 -4.4369 -4.4369 1.2998 1.2998 1.3126 1.3126 3.0777 3.0777 3.0884 3.0884 5.0396 5.0396 5.1337 5.1337 6.3114 6.3114 6.4053 6.4053 10.2837 10.2837 10.4557 10.4557 12.8092 12.8092 12.9388 12.9388 k =-0.3111 0.6960 0.7232 ( 4070 PWs) bands (ev): -13.9718 -13.9718 -13.9705 -13.9705 -13.9361 -13.9361 -13.9348 -13.9348 -12.9465 -12.9465 -12.9450 -12.9450 -12.9149 -12.9149 -12.9110 -12.9110 -12.8956 -12.8956 -12.8901 -12.8901 -4.4452 -4.4452 -4.4447 -4.4447 1.2454 1.2454 1.2574 1.2574 3.1339 3.1339 3.1462 3.1462 5.1231 5.1231 5.2229 5.2229 6.3502 6.3502 6.4501 6.4501 10.2035 10.2035 10.3778 10.3778 12.7690 12.7690 12.9310 12.9310 k =-0.3179 0.6777 0.7232 ( 4074 PWs) bands (ev): -13.9718 -13.9718 -13.9705 -13.9705 -13.9361 -13.9361 -13.9348 -13.9348 -12.9463 -12.9463 -12.9449 -12.9449 -12.9150 -12.9150 -12.9111 -12.9111 -12.8955 -12.8955 -12.8902 -12.8902 -4.4538 -4.4538 -4.4533 -4.4533 1.1903 1.1903 1.2016 1.2016 3.1963 3.1963 3.2100 3.2100 5.2100 5.2100 5.3160 5.3160 6.3886 6.3886 6.4952 6.4952 10.1221 10.1221 10.2987 10.2987 12.7127 12.7127 12.9152 12.9152 k =-0.3246 0.6595 0.7232 ( 4082 PWs) bands (ev): -13.9717 -13.9717 -13.9705 -13.9705 -13.9360 -13.9360 -13.9348 -13.9348 -12.9461 -12.9461 -12.9448 -12.9448 -12.9150 -12.9150 -12.9113 -12.9113 -12.8954 -12.8954 -12.8903 -12.8903 -4.4631 -4.4631 -4.4626 -4.4626 1.1352 1.1352 1.1459 1.1459 3.2644 3.2644 3.2796 3.2796 5.2995 5.2995 5.4124 5.4124 6.4268 6.4268 6.5409 6.5409 10.0393 10.0393 10.2183 10.2183 12.6376 12.6376 12.8776 12.8776 k =-0.3313 0.6412 0.7232 ( 4086 PWs) bands (ev): -13.9717 -13.9717 -13.9704 -13.9704 -13.9360 -13.9360 -13.9349 -13.9349 -12.9459 -12.9459 -12.9447 -12.9447 -12.9151 -12.9151 -12.9115 -12.9115 -12.8953 -12.8953 -12.8903 -12.8903 -4.4730 -4.4730 -4.4725 -4.4725 1.0805 1.0805 1.0906 1.0906 3.3379 3.3379 3.3545 3.3545 5.3910 5.3910 5.5114 5.5114 6.4652 6.4652 6.5874 6.5874 9.9551 9.9551 10.1365 10.1365 12.5453 12.5453 12.8051 12.8051 k =-0.3381 0.6230 0.7232 ( 4086 PWs) bands (ev): -13.9717 -13.9717 -13.9704 -13.9704 -13.9360 -13.9360 -13.9349 -13.9349 -12.9457 -12.9457 -12.9445 -12.9445 -12.9151 -12.9151 -12.9116 -12.9116 -12.8952 -12.8952 -12.8904 -12.8904 -4.4835 -4.4835 -4.4829 -4.4829 1.0265 1.0265 1.0360 1.0360 3.4166 3.4166 3.4345 3.4345 5.4837 5.4837 5.6122 5.6122 6.5041 6.5041 6.6352 6.6352 9.8693 9.8693 10.0530 10.0530 12.4400 12.4400 12.7027 12.7027 k =-0.3448 0.6047 0.7232 ( 4078 PWs) bands (ev): -13.9716 -13.9716 -13.9703 -13.9703 -13.9360 -13.9360 -13.9349 -13.9349 -12.9455 -12.9455 -12.9444 -12.9444 -12.9151 -12.9151 -12.9118 -12.9118 -12.8951 -12.8951 -12.8905 -12.8905 -4.4944 -4.4944 -4.4938 -4.4938 0.9736 0.9736 0.9825 0.9825 3.5002 3.5002 3.5194 3.5194 5.5767 5.5767 5.7138 5.7138 6.5441 6.5441 6.6848 6.6848 9.7819 9.7819 9.9678 9.9678 12.3260 12.3260 12.5842 12.5842 k =-0.3516 0.5864 0.7232 ( 4070 PWs) bands (ev): -13.9716 -13.9716 -13.9703 -13.9703 -13.9360 -13.9360 -13.9349 -13.9349 -12.9453 -12.9453 -12.9443 -12.9443 -12.9151 -12.9151 -12.9120 -12.9120 -12.8950 -12.8950 -12.8906 -12.8906 -4.5057 -4.5057 -4.5051 -4.5051 0.9218 0.9218 0.9302 0.9302 3.5885 3.5885 3.6090 3.6090 5.6689 5.6689 5.8150 5.8150 6.5860 6.5860 6.7369 6.7369 9.6927 9.6927 9.8807 9.8807 12.2067 12.2067 12.4584 12.4584 k =-0.3583 0.5682 0.7232 ( 4078 PWs) bands (ev): -13.9715 -13.9715 -13.9703 -13.9703 -13.9360 -13.9360 -13.9350 -13.9350 -12.9451 -12.9451 -12.9442 -12.9442 -12.9151 -12.9151 -12.9122 -12.9122 -12.8949 -12.8949 -12.8907 -12.8907 -4.5173 -4.5173 -4.5167 -4.5167 0.8716 0.8716 0.8795 0.8795 3.6813 3.6813 3.7031 3.7031 5.7593 5.7593 5.9144 5.9144 6.6309 6.6309 6.7922 6.7922 9.6017 9.6017 9.7916 9.7916 12.0849 12.0849 12.3299 12.3299 k =-0.3651 0.5499 0.7232 ( 4084 PWs) bands (ev): -13.9715 -13.9715 -13.9702 -13.9702 -13.9360 -13.9360 -13.9350 -13.9350 -12.9449 -12.9449 -12.9440 -12.9440 -12.9152 -12.9152 -12.9123 -12.9123 -12.8948 -12.8948 -12.8908 -12.8908 -4.5290 -4.5290 -4.5284 -4.5284 0.8230 0.8230 0.8305 0.8305 3.7783 3.7783 3.8014 3.8014 5.8466 5.8466 6.0101 6.0101 6.6801 6.6801 6.8513 6.8513 9.5089 9.5089 9.7005 9.7005 11.9627 11.9627 12.2013 12.2013 k =-0.3718 0.5317 0.7232 ( 4084 PWs) bands (ev): -13.9714 -13.9714 -13.9702 -13.9702 -13.9360 -13.9360 -13.9350 -13.9350 -12.9447 -12.9447 -12.9439 -12.9439 -12.9152 -12.9152 -12.9125 -12.9125 -12.8947 -12.8947 -12.8909 -12.8909 -4.5408 -4.5408 -4.5402 -4.5402 0.7763 0.7763 0.7832 0.7832 3.8795 3.8795 3.9039 3.9039 5.9296 5.9296 6.0999 6.0999 6.7353 6.7353 6.9151 6.9151 9.4143 9.4143 9.6075 9.6075 11.8419 11.8419 12.0744 12.0744 k =-0.3786 0.5134 0.7232 ( 4080 PWs) bands (ev): -13.9714 -13.9714 -13.9702 -13.9702 -13.9360 -13.9360 -13.9351 -13.9351 -12.9445 -12.9445 -12.9438 -12.9438 -12.9152 -12.9152 -12.9127 -12.9127 -12.8946 -12.8946 -12.8910 -12.8910 -4.5526 -4.5526 -4.5520 -4.5520 0.7314 0.7314 0.7379 0.7379 3.9845 3.9845 4.0104 4.0104 6.0072 6.0072 6.1817 6.1817 6.7979 6.7979 6.9839 6.9839 9.3184 9.3184 9.5128 9.5128 11.7238 11.7238 11.9507 11.9507 k =-0.3853 0.4951 0.7232 ( 4076 PWs) bands (ev): -13.9713 -13.9713 -13.9701 -13.9701 -13.9360 -13.9360 -13.9351 -13.9351 -12.9443 -12.9443 -12.9437 -12.9437 -12.9152 -12.9152 -12.9128 -12.9128 -12.8945 -12.8945 -12.8911 -12.8911 -4.5643 -4.5643 -4.5637 -4.5637 0.6886 0.6886 0.6947 0.6947 4.0933 4.0933 4.1205 4.1205 6.0785 6.0785 6.2538 6.2538 6.8688 6.8688 7.0580 7.0580 9.2214 9.2214 9.4168 9.4168 11.6095 11.6095 11.8312 11.8312 k =-0.3921 0.4769 0.7232 ( 4072 PWs) bands (ev): -13.9713 -13.9713 -13.9701 -13.9701 -13.9360 -13.9360 -13.9351 -13.9351 -12.9442 -12.9442 -12.9435 -12.9435 -12.9152 -12.9152 -12.9130 -12.9130 -12.8944 -12.8944 -12.8912 -12.8912 -4.5758 -4.5758 -4.5753 -4.5753 0.6479 0.6479 0.6536 0.6536 4.2056 4.2056 4.2343 4.2343 6.1429 6.1429 6.3154 6.3154 6.9477 6.9477 7.1368 7.1368 9.1244 9.1244 9.3206 9.3206 11.4998 11.4998 11.7167 11.7167 k =-0.3988 0.4586 0.7232 ( 4068 PWs) bands (ev): -13.9712 -13.9712 -13.9701 -13.9701 -13.9360 -13.9360 -13.9352 -13.9352 -12.9440 -12.9440 -12.9434 -12.9434 -12.9152 -12.9152 -12.9132 -12.9132 -12.8943 -12.8943 -12.8914 -12.8914 -4.5870 -4.5870 -4.5865 -4.5865 0.6094 0.6094 0.6147 0.6147 4.3211 4.3211 4.3514 4.3514 6.2000 6.2000 6.3668 6.3668 7.0327 7.0327 7.2190 7.2190 9.0287 9.0287 9.2253 9.2253 11.3955 11.3955 11.6080 11.6080 k =-0.4056 0.4404 0.7232 ( 4068 PWs) bands (ev): -13.9711 -13.9711 -13.9701 -13.9701 -13.9360 -13.9360 -13.9352 -13.9352 -12.9438 -12.9438 -12.9433 -12.9433 -12.9152 -12.9152 -12.9133 -12.9133 -12.8942 -12.8942 -12.8915 -12.8915 -4.5980 -4.5980 -4.5975 -4.5975 0.5731 0.5731 0.5780 0.5780 4.4398 4.4398 4.4717 4.4717 6.2500 6.2500 6.4092 6.4092 7.1207 7.1207 7.3023 7.3023 8.9365 8.9365 9.1332 9.1332 11.2969 11.2969 11.5056 11.5056 k =-0.4123 0.4221 0.7232 ( 4062 PWs) bands (ev): -13.9711 -13.9711 -13.9701 -13.9701 -13.9359 -13.9359 -13.9352 -13.9352 -12.9437 -12.9437 -12.9432 -12.9432 -12.9151 -12.9151 -12.9135 -12.9135 -12.8941 -12.8941 -12.8916 -12.8916 -4.6085 -4.6085 -4.6080 -4.6080 0.5392 0.5392 0.5437 0.5437 4.5612 4.5612 4.5949 4.5949 6.2933 6.2933 6.4438 6.4438 7.2075 7.2075 7.3830 7.3830 8.8510 8.8510 9.0471 9.0471 11.2041 11.2041 11.4099 11.4099 k =-0.4190 0.4038 0.7232 ( 4062 PWs) bands (ev): -13.9710 -13.9710 -13.9701 -13.9701 -13.9359 -13.9359 -13.9353 -13.9353 -12.9435 -12.9435 -12.9431 -12.9431 -12.9151 -12.9151 -12.9136 -12.9136 -12.8940 -12.8940 -12.8917 -12.8917 -4.6185 -4.6185 -4.6180 -4.6180 0.5076 0.5076 0.5118 0.5118 4.6852 4.6852 4.7208 4.7208 6.3302 6.3302 6.4722 6.4722 7.2875 7.2875 7.4557 7.4557 8.7774 8.7774 8.9712 8.9712 11.1169 11.1169 11.3210 11.3210 k =-0.4258 0.3856 0.7232 ( 4056 PWs) bands (ev): -13.9710 -13.9710 -13.9701 -13.9701 -13.9359 -13.9359 -13.9353 -13.9353 -12.9434 -12.9434 -12.9430 -12.9430 -12.9151 -12.9151 -12.9137 -12.9137 -12.8939 -12.8939 -12.8918 -12.8918 -4.6279 -4.6279 -4.6275 -4.6275 0.4785 0.4785 0.4823 0.4823 4.8113 4.8113 4.8490 4.8490 6.3615 6.3615 6.4955 6.4955 7.3544 7.3544 7.5131 7.5131 8.7224 8.7224 8.9112 8.9112 11.0349 11.0349 11.2391 11.2391 k =-0.4325 0.3673 0.7232 ( 4060 PWs) bands (ev): -13.9709 -13.9709 -13.9701 -13.9701 -13.9359 -13.9359 -13.9353 -13.9353 -12.9432 -12.9432 -12.9429 -12.9429 -12.9151 -12.9151 -12.9139 -12.9139 -12.8938 -12.8938 -12.8919 -12.8919 -4.6368 -4.6368 -4.6364 -4.6364 0.4518 0.4518 0.4552 0.4552 4.9394 4.9394 4.9793 4.9793 6.3875 6.3875 6.5146 6.5146 7.4012 7.4012 7.5468 7.5468 8.6944 8.6944 8.8734 8.8734 10.9572 10.9572 11.1640 11.1640 k =-0.4393 0.3491 0.7232 ( 4060 PWs) bands (ev): -13.9708 -13.9708 -13.9701 -13.9701 -13.9359 -13.9359 -13.9354 -13.9354 -12.9431 -12.9431 -12.9428 -12.9428 -12.9151 -12.9151 -12.9140 -12.9140 -12.8937 -12.8937 -12.8920 -12.8920 -4.6449 -4.6449 -4.6446 -4.6446 0.4276 0.4276 0.4306 0.4306 5.0688 5.0688 5.1111 5.1111 6.4086 6.4086 6.5302 6.5302 7.4217 7.4217 7.5501 7.5501 8.6999 8.6999 8.8639 8.8639 10.8822 10.8822 11.0953 11.0953 k =-0.4460 0.3308 0.7232 ( 4056 PWs) bands (ev): -13.9708 -13.9708 -13.9701 -13.9701 -13.9359 -13.9359 -13.9354 -13.9354 -12.9430 -12.9430 -12.9427 -12.9427 -12.9150 -12.9150 -12.9141 -12.9141 -12.8936 -12.8936 -12.8921 -12.8921 -4.6524 -4.6524 -4.6520 -4.6520 0.4059 0.4059 0.4086 0.4086 5.1990 5.1990 5.2439 5.2439 6.4252 6.4252 6.5425 6.5425 7.4127 7.4127 7.5213 7.5213 8.7407 8.7407 8.8861 8.8861 10.8074 10.8074 11.0314 11.0314 k =-0.4528 0.3125 0.7232 ( 4056 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9358 -13.9358 -13.9354 -13.9354 -12.9429 -12.9429 -12.9427 -12.9427 -12.9150 -12.9150 -12.9142 -12.9142 -12.8935 -12.8935 -12.8922 -12.8922 -4.6590 -4.6590 -4.6588 -4.6588 0.3867 0.3867 0.3890 0.3890 5.3292 5.3292 5.3771 5.3771 6.4375 6.4375 6.5519 6.5519 7.3754 7.3754 7.4650 7.4650 8.8126 8.8126 8.9391 8.9391 10.7294 10.7294 10.9678 10.9678 k =-0.4595 0.2943 0.7232 ( 4056 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9358 -13.9358 -13.9355 -13.9355 -12.9428 -12.9428 -12.9426 -12.9426 -12.9150 -12.9150 -12.9143 -12.9143 -12.8934 -12.8934 -12.8923 -12.8923 -4.6649 -4.6649 -4.6647 -4.6647 0.3700 0.3700 0.3720 0.3720 5.4586 5.4586 5.5095 5.5095 6.4452 6.4452 6.5581 6.5581 7.3151 7.3151 7.3891 7.3891 8.9082 8.9082 9.0183 9.0183 10.6436 10.6436 10.8864 10.8864 k =-0.4663 0.2760 0.7232 ( 4054 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9358 -13.9358 -13.9355 -13.9355 -12.9428 -12.9428 -12.9426 -12.9426 -12.9149 -12.9149 -12.9144 -12.9144 -12.8933 -12.8933 -12.8924 -12.8924 -4.6699 -4.6699 -4.6697 -4.6697 0.3559 0.3559 0.3576 0.3576 5.5857 5.5857 5.6397 5.6397 6.4483 6.4483 6.5605 6.5605 7.2394 7.2394 7.3020 7.3020 9.0203 9.0203 9.1175 9.1175 10.5463 10.5463 10.7604 10.7604 k =-0.4730 0.2578 0.7232 ( 4054 PWs) bands (ev): -13.9705 -13.9705 -13.9702 -13.9702 -13.9358 -13.9358 -13.9355 -13.9355 -12.9427 -12.9427 -12.9426 -12.9426 -12.9149 -12.9149 -12.9144 -12.9144 -12.8932 -12.8932 -12.8925 -12.8925 -4.6741 -4.6741 -4.6739 -4.6739 0.3444 0.3444 0.3458 0.3458 5.7084 5.7084 5.7650 5.7650 6.4465 6.4465 6.5577 6.5577 7.1568 7.1568 7.2113 7.2113 9.1425 9.1425 9.2296 9.2296 10.4373 10.4373 10.6104 10.6104 k =-0.4798 0.2395 0.7232 ( 4056 PWs) bands (ev): -13.9705 -13.9705 -13.9702 -13.9702 -13.9358 -13.9358 -13.9356 -13.9356 -12.9426 -12.9426 -12.9425 -12.9425 -12.9149 -12.9149 -12.9145 -12.9145 -12.8931 -12.8931 -12.8926 -12.8926 -4.6773 -4.6773 -4.6772 -4.6772 0.3355 0.3355 0.3365 0.3365 5.8236 5.8236 5.8809 5.8809 6.4402 6.4402 6.5472 6.5472 7.0772 7.0772 7.1247 7.1247 9.2688 9.2688 9.3469 9.3469 10.3222 10.3222 10.4585 10.4585 k =-0.4865 0.2212 0.7232 ( 4056 PWs) bands (ev): -13.9704 -13.9704 -13.9702 -13.9702 -13.9357 -13.9357 -13.9356 -13.9356 -12.9426 -12.9426 -12.9425 -12.9425 -12.9148 -12.9148 -12.9146 -12.9146 -12.8930 -12.8930 -12.8927 -12.8927 -4.6796 -4.6796 -4.6796 -4.6796 0.3292 0.3292 0.3298 0.3298 5.9262 5.9262 5.9786 5.9786 6.4328 6.4328 6.5254 6.5254 7.0122 7.0122 7.0499 7.0499 9.3916 9.3916 9.4581 9.4581 10.2131 10.2131 10.3153 10.3153 k =-0.4933 0.2030 0.7232 ( 4064 PWs) bands (ev): -13.9704 -13.9704 -13.9703 -13.9703 -13.9357 -13.9357 -13.9356 -13.9356 -12.9426 -12.9426 -12.9425 -12.9425 -12.9148 -12.9148 -12.9147 -12.9147 -12.8929 -12.8929 -12.8928 -12.8928 -4.6810 -4.6810 -4.6810 -4.6810 0.3254 0.3254 0.3258 0.3258 6.0070 6.0070 6.0417 6.0417 6.4338 6.4338 6.4916 6.4916 6.9734 6.9734 6.9951 6.9951 9.4972 9.4972 9.5408 9.5408 10.1341 10.1341 10.1946 10.1946 k =-0.5000 0.1847 0.7232 ( 4064 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9357 -13.9357 -13.9357 -13.9357 -12.9425 -12.9425 -12.9425 -12.9425 -12.9147 -12.9147 -12.9147 -12.9147 -12.8928 -12.8928 -12.8928 -12.8928 -4.6815 -4.6815 -4.6815 -4.6815 0.3243 0.3243 0.3243 0.3243 6.0512 6.0512 6.0512 6.0512 6.4551 6.4551 6.4551 6.4551 6.9678 6.9678 6.9678 6.9678 9.5578 9.5578 9.5578 9.5578 10.1236 10.1236 10.1236 10.1236 k =-0.5000 0.1847 0.7232 ( 4064 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9357 -13.9357 -13.9357 -13.9357 -12.9425 -12.9425 -12.9425 -12.9425 -12.9147 -12.9147 -12.9147 -12.9147 -12.8928 -12.8928 -12.8928 -12.8928 -4.6815 -4.6815 -4.6815 -4.6815 0.3243 0.3243 0.3243 0.3243 6.0512 6.0512 6.0512 6.0512 6.4551 6.4551 6.4551 6.4551 6.9678 6.9678 6.9678 6.9678 9.5578 9.5578 9.5578 9.5578 10.1236 10.1236 10.1236 10.1236 k =-0.5000 0.1847 0.7037 ( 4064 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9359 -13.9359 -13.9354 -13.9354 -12.9426 -12.9426 -12.9425 -12.9425 -12.9150 -12.9150 -12.9144 -12.9144 -12.8932 -12.8932 -12.8926 -12.8926 -4.7048 -4.7048 -4.6595 -4.6595 0.2903 0.2903 0.3629 0.3629 5.9912 5.9912 6.1074 6.1074 6.4308 6.4308 6.4647 6.4647 6.9375 6.9375 7.0167 7.0167 9.4791 9.4791 9.6250 9.6250 10.0775 10.0775 10.1746 10.1746 k =-0.5000 0.1847 0.6841 ( 4060 PWs) bands (ev): -13.9704 -13.9704 -13.9703 -13.9703 -13.9362 -13.9362 -13.9352 -13.9352 -12.9426 -12.9426 -12.9425 -12.9425 -12.9153 -12.9153 -12.9141 -12.9141 -12.8935 -12.8935 -12.8923 -12.8923 -4.7292 -4.7292 -4.6388 -4.6388 0.2609 0.2609 0.4059 0.4059 5.9286 5.9286 6.1577 6.1577 6.3937 6.3937 6.4619 6.4619 6.9249 6.9249 7.0817 7.0817 9.3926 9.3926 9.6757 9.6757 10.0391 10.0391 10.2286 10.2286 k =-0.5000 0.1847 0.6646 ( 4060 PWs) bands (ev): -13.9704 -13.9704 -13.9703 -13.9703 -13.9364 -13.9364 -13.9350 -13.9350 -12.9426 -12.9426 -12.9425 -12.9425 -12.9156 -12.9156 -12.9137 -12.9137 -12.8938 -12.8938 -12.8921 -12.8921 -4.7547 -4.7547 -4.6196 -4.6196 0.2360 0.2360 0.4533 0.4533 5.8641 5.8641 6.1964 6.1964 6.3510 6.3510 6.4508 6.4508 6.9269 6.9269 7.1592 7.1592 9.3007 9.3007 9.7045 9.7045 10.0110 10.0110 10.2857 10.2857 k =-0.5000 0.1847 0.6451 ( 4050 PWs) bands (ev): -13.9704 -13.9704 -13.9702 -13.9702 -13.9367 -13.9367 -13.9348 -13.9348 -12.9426 -12.9426 -12.9425 -12.9425 -12.9159 -12.9159 -12.9134 -12.9134 -12.8942 -12.8942 -12.8918 -12.8918 -4.7811 -4.7811 -4.6020 -4.6020 0.2159 0.2159 0.5049 0.5049 5.7983 5.7983 6.2058 6.2058 6.3223 6.3223 6.4368 6.4368 6.9392 6.9392 7.2461 7.2461 9.2050 9.2050 9.7092 9.7092 9.9930 9.9930 10.3479 10.3479 k =-0.5000 0.1847 0.6255 ( 4042 PWs) bands (ev): -13.9704 -13.9704 -13.9702 -13.9702 -13.9370 -13.9370 -13.9346 -13.9346 -12.9427 -12.9427 -12.9425 -12.9425 -12.9161 -12.9161 -12.9130 -12.9130 -12.8946 -12.8946 -12.8916 -12.8916 -4.8083 -4.8083 -4.5859 -4.5859 0.2003 0.2003 0.5607 0.5607 5.7318 5.7318 6.1698 6.1698 6.3211 6.3211 6.4272 6.4272 6.9581 6.9581 7.3399 7.3399 9.1067 9.1067 9.6936 9.6936 9.9821 9.9821 10.4177 10.4177 k =-0.5000 0.1847 0.6060 ( 4042 PWs) bands (ev): -13.9705 -13.9705 -13.9702 -13.9702 -13.9372 -13.9372 -13.9344 -13.9344 -12.9427 -12.9427 -12.9425 -12.9425 -12.9164 -12.9164 -12.9126 -12.9126 -12.8950 -12.8950 -12.8915 -12.8915 -4.8362 -4.8362 -4.5714 -4.5714 0.1892 0.1892 0.6205 0.6205 5.6649 5.6649 6.1113 6.1113 6.3186 6.3186 6.4318 6.4318 6.9812 6.9812 7.4391 7.4391 9.0064 9.0064 9.6638 9.6638 9.9756 9.9756 10.4960 10.4960 k =-0.5000 0.1847 0.5864 ( 4040 PWs) bands (ev): -13.9705 -13.9705 -13.9702 -13.9702 -13.9375 -13.9375 -13.9342 -13.9342 -12.9428 -12.9428 -12.9426 -12.9426 -12.9166 -12.9166 -12.9122 -12.9122 -12.8954 -12.8954 -12.8913 -12.8913 -4.8646 -4.8646 -4.5586 -4.5586 0.1827 0.1827 0.6842 0.6842 5.5981 5.5981 6.0463 6.0463 6.3018 6.3018 6.4499 6.4499 7.0067 7.0067 7.5424 7.5424 8.9051 8.9051 9.6247 9.6247 9.9738 9.9738 10.5822 10.5822 k =-0.5000 0.1847 0.5669 ( 4038 PWs) bands (ev): -13.9705 -13.9705 -13.9702 -13.9702 -13.9378 -13.9378 -13.9340 -13.9340 -12.9428 -12.9428 -12.9426 -12.9426 -12.9168 -12.9168 -12.9118 -12.9118 -12.8958 -12.8958 -12.8912 -12.8912 -4.8934 -4.8934 -4.5474 -4.5474 0.1805 0.1805 0.7515 0.7515 5.5316 5.5316 5.9796 5.9796 6.2762 6.2762 6.4726 6.4726 7.0333 7.0333 7.6487 7.6487 8.8035 8.8035 9.5793 9.5793 9.9785 9.9785 10.6750 10.6750 k =-0.5000 0.1847 0.5473 ( 4042 PWs) bands (ev): -13.9705 -13.9705 -13.9701 -13.9701 -13.9381 -13.9381 -13.9339 -13.9339 -12.9429 -12.9429 -12.9426 -12.9426 -12.9171 -12.9171 -12.9114 -12.9114 -12.8962 -12.8962 -12.8910 -12.8910 -4.9225 -4.9225 -4.5378 -4.5378 0.1826 0.1826 0.8224 0.8224 5.4658 5.4658 5.9132 5.9132 6.2468 6.2468 6.4943 6.4943 7.0604 7.0604 7.7567 7.7567 8.7026 8.7026 9.5295 9.5295 9.9915 9.9915 10.7731 10.7731 k =-0.5000 0.1847 0.5278 ( 4034 PWs) bands (ev): -13.9705 -13.9705 -13.9701 -13.9701 -13.9384 -13.9384 -13.9337 -13.9337 -12.9429 -12.9429 -12.9427 -12.9427 -12.9173 -12.9173 -12.9110 -12.9110 -12.8967 -12.8967 -12.8909 -12.8909 -4.9517 -4.9517 -4.5298 -4.5298 0.1887 0.1887 0.8966 0.8966 5.4009 5.4009 5.8477 5.8477 6.2155 6.2155 6.5130 6.5130 7.0871 7.0871 7.8646 7.8646 8.6042 8.6042 9.4767 9.4767 10.0140 10.0140 10.8754 10.8754 k =-0.5000 0.1847 0.5082 ( 4048 PWs) bands (ev): -13.9705 -13.9705 -13.9701 -13.9701 -13.9386 -13.9386 -13.9336 -13.9336 -12.9430 -12.9430 -12.9427 -12.9427 -12.9175 -12.9175 -12.9105 -12.9105 -12.8972 -12.8972 -12.8909 -12.8909 -4.9809 -4.9809 -4.5234 -4.5234 0.1988 0.1988 0.9739 0.9739 5.3371 5.3371 5.7839 5.7839 6.1835 6.1835 6.5277 6.5277 7.1132 7.1132 7.9681 7.9681 8.5123 8.5123 9.4222 9.4222 10.0465 10.0465 10.9811 10.9811 k =-0.5000 0.1847 0.4887 ( 4044 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9389 -13.9389 -13.9334 -13.9334 -12.9430 -12.9430 -12.9428 -12.9428 -12.9176 -12.9176 -12.9101 -12.9101 -12.8976 -12.8976 -12.8908 -12.8908 -5.0100 -5.0100 -4.5184 -4.5184 0.2125 0.2125 1.0542 1.0542 5.2746 5.2746 5.7219 5.7219 6.1512 6.1512 6.5383 6.5383 7.1382 7.1382 8.0554 8.0554 8.4385 8.4385 9.3670 9.3670 10.0890 10.0890 11.0893 11.0893 k =-0.5000 0.1847 0.4691 ( 4044 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9392 -13.9392 -13.9333 -13.9333 -12.9431 -12.9431 -12.9428 -12.9428 -12.9178 -12.9178 -12.9096 -12.9096 -12.8981 -12.8981 -12.8908 -12.8908 -5.0389 -5.0389 -4.5149 -4.5149 0.2296 0.2296 1.1371 1.1371 5.2136 5.2136 5.6621 5.6621 6.1190 6.1190 6.5448 6.5448 7.1619 7.1619 8.0946 8.0946 8.4145 8.4145 9.3122 9.3122 10.1413 10.1413 11.1995 11.1995 k =-0.5000 0.1847 0.4496 ( 4036 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9395 -13.9395 -13.9332 -13.9332 -12.9432 -12.9432 -12.9429 -12.9429 -12.9180 -12.9180 -12.9091 -12.9091 -12.8986 -12.8986 -12.8908 -12.8908 -5.0674 -5.0674 -4.5126 -4.5126 0.2499 0.2499 1.2226 1.2226 5.1542 5.1542 5.6046 5.6046 6.0873 6.0873 6.5474 6.5474 7.1840 7.1840 8.0595 8.0595 8.4660 8.4660 9.2589 9.2589 10.2028 10.2028 11.3111 11.3111 k =-0.5000 0.1847 0.4300 ( 4040 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9398 -13.9398 -13.9331 -13.9331 -12.9432 -12.9432 -12.9429 -12.9429 -12.9181 -12.9181 -12.9087 -12.9087 -12.8990 -12.8990 -12.8908 -12.8908 -5.0954 -5.0954 -4.5116 -4.5116 0.2731 0.2731 1.3103 1.3103 5.0967 5.0967 5.5496 5.5496 6.0561 6.0561 6.5464 6.5464 7.2044 7.2044 7.9816 7.9816 8.5604 8.5604 9.2087 9.2087 10.2732 10.2732 11.4234 11.4234 k =-0.5000 0.1847 0.4105 ( 4032 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9400 -13.9400 -13.9330 -13.9330 -12.9433 -12.9433 -12.9429 -12.9429 -12.9183 -12.9183 -12.9082 -12.9082 -12.8995 -12.8995 -12.8908 -12.8908 -5.1229 -5.1229 -4.5117 -4.5117 0.2989 0.2989 1.4000 1.4000 5.0410 5.0410 5.4970 5.4970 6.0257 6.0257 6.5422 6.5422 7.2228 7.2228 7.8886 7.8886 8.6677 8.6677 9.1644 9.1644 10.3516 10.3516 11.5358 11.5358 k =-0.5000 0.1847 0.3909 ( 4038 PWs) bands (ev): -13.9706 -13.9706 -13.9700 -13.9700 -13.9403 -13.9403 -13.9329 -13.9329 -12.9434 -12.9434 -12.9430 -12.9430 -12.9184 -12.9184 -12.9077 -12.9077 -12.9000 -12.9000 -12.8909 -12.8909 -5.1497 -5.1497 -4.5127 -4.5127 0.3269 0.3269 1.4914 1.4914 4.9874 4.9874 5.4470 5.4470 5.9962 5.9962 6.5351 6.5351 7.2387 7.2387 7.7907 7.7907 8.7711 8.7711 9.1332 9.1332 10.4376 10.4376 11.6475 11.6475 k =-0.5000 0.1847 0.3714 ( 4040 PWs) bands (ev): -13.9706 -13.9706 -13.9700 -13.9700 -13.9406 -13.9406 -13.9328 -13.9328 -12.9435 -12.9435 -12.9430 -12.9430 -12.9185 -12.9185 -12.9072 -12.9072 -12.9004 -12.9004 -12.8909 -12.8909 -5.1758 -5.1758 -4.5147 -4.5147 0.3568 0.3568 1.5842 1.5842 4.9359 4.9359 5.3996 5.3996 5.9676 5.9676 6.5256 6.5256 7.2515 7.2515 7.6921 7.6921 8.8487 8.8487 9.1339 9.1339 10.5303 10.5303 11.7573 11.7573 k =-0.5000 0.1847 0.3518 ( 4040 PWs) bands (ev): -13.9706 -13.9706 -13.9700 -13.9700 -13.9408 -13.9408 -13.9327 -13.9327 -12.9436 -12.9436 -12.9431 -12.9431 -12.9186 -12.9186 -12.9067 -12.9067 -12.9009 -12.9009 -12.8910 -12.8910 -5.2010 -5.2010 -4.5174 -4.5174 0.3883 0.3883 1.6781 1.6781 4.8866 4.8866 5.3549 5.3549 5.9402 5.9402 6.5140 6.5140 7.2595 7.2595 7.5957 7.5957 8.8742 8.8742 9.1917 9.1917 10.6290 10.6290 11.8639 11.8639 k =-0.5000 0.1847 0.3323 ( 4040 PWs) bands (ev): -13.9706 -13.9706 -13.9700 -13.9700 -13.9411 -13.9411 -13.9326 -13.9326 -12.9437 -12.9437 -12.9431 -12.9431 -12.9187 -12.9187 -12.9063 -12.9063 -12.9013 -12.9013 -12.8911 -12.8911 -5.2253 -5.2253 -4.5207 -4.5207 0.4210 0.4210 1.7727 1.7727 4.8395 4.8395 5.3128 5.3128 5.9140 5.9140 6.5008 6.5008 7.2585 7.2585 7.5069 7.5069 8.8584 8.8584 9.2949 9.2949 10.7330 10.7330 11.9648 11.9648 k =-0.5000 0.1847 0.3128 ( 4048 PWs) bands (ev): -13.9706 -13.9706 -13.9700 -13.9700 -13.9413 -13.9413 -13.9326 -13.9326 -12.9438 -12.9438 -12.9431 -12.9431 -12.9188 -12.9188 -12.9058 -12.9058 -12.9017 -12.9017 -12.8912 -12.8912 -5.2485 -5.2485 -4.5246 -4.5246 0.4545 0.4545 1.8677 1.8677 4.7949 4.7949 5.2735 5.2735 5.8890 5.8890 6.4863 6.4863 7.2385 7.2385 7.4361 7.4361 8.8261 8.8261 9.4183 9.4183 10.8414 10.8414 12.0561 12.0561 k =-0.5000 0.1847 0.2932 ( 4046 PWs) bands (ev): -13.9707 -13.9707 -13.9700 -13.9700 -13.9415 -13.9415 -13.9325 -13.9325 -12.9439 -12.9439 -12.9432 -12.9432 -12.9189 -12.9189 -12.9053 -12.9053 -12.9021 -12.9021 -12.8913 -12.8913 -5.2707 -5.2707 -4.5289 -4.5289 0.4884 0.4884 1.9626 1.9626 4.7526 4.7526 5.2368 5.2368 5.8655 5.8655 6.4709 6.4709 7.1870 7.1870 7.3965 7.3965 8.7886 8.7886 9.5503 9.5503 10.9536 10.9536 12.1306 12.1306 k =-0.5000 0.1847 0.2737 ( 4046 PWs) bands (ev): -13.9707 -13.9707 -13.9700 -13.9700 -13.9418 -13.9418 -13.9324 -13.9324 -12.9440 -12.9440 -12.9432 -12.9432 -12.9189 -12.9189 -12.9049 -12.9049 -12.9025 -12.9025 -12.8914 -12.8914 -5.2918 -5.2918 -4.5334 -4.5334 0.5224 0.5224 2.0569 2.0569 4.7129 4.7129 5.2027 5.2027 5.8434 5.8434 6.4548 6.4548 7.1100 7.1100 7.3827 7.3827 8.7498 8.7498 9.6868 9.6868 11.0687 11.0687 12.1774 12.1774 k =-0.5000 0.1847 0.2541 ( 4046 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9420 -13.9420 -13.9324 -13.9324 -12.9442 -12.9442 -12.9433 -12.9433 -12.9190 -12.9190 -12.9045 -12.9045 -12.9028 -12.9028 -12.8916 -12.8916 -5.3117 -5.3117 -4.5381 -4.5381 0.5561 0.5561 2.1502 2.1502 4.6756 4.6756 5.1714 5.1714 5.8228 5.8228 6.4382 6.4382 7.0221 7.0221 7.3806 7.3806 8.7116 8.7116 9.8257 9.8257 11.1857 11.1857 12.1882 12.1882 k =-0.5000 0.1847 0.2346 ( 4038 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9422 -13.9422 -13.9324 -13.9324 -12.9443 -12.9443 -12.9433 -12.9433 -12.9191 -12.9191 -12.9043 -12.9043 -12.9030 -12.9030 -12.8917 -12.8917 -5.3302 -5.3302 -4.5430 -4.5430 0.5891 0.5891 2.2418 2.2418 4.6410 4.6410 5.1426 5.1426 5.8037 5.8037 6.4213 6.4213 6.9316 6.9316 7.3827 7.3827 8.6746 8.6746 9.9659 9.9659 11.3037 11.3037 12.1665 12.1665 k =-0.5000 0.1847 0.2150 ( 4046 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9423 -13.9423 -13.9323 -13.9323 -12.9444 -12.9444 -12.9433 -12.9433 -12.9191 -12.9191 -12.9042 -12.9042 -12.9029 -12.9029 -12.8919 -12.8919 -5.3475 -5.3475 -4.5478 -4.5478 0.6211 0.6211 2.3311 2.3311 4.6090 4.6090 5.1164 5.1164 5.7864 5.7864 6.4042 6.4042 6.8419 6.8419 7.3864 7.3864 8.6395 8.6395 10.1066 10.1066 11.4216 11.4216 12.1234 12.1234 k =-0.5000 0.1847 0.1955 ( 4048 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9425 -13.9425 -13.9323 -13.9323 -12.9445 -12.9445 -12.9433 -12.9433 -12.9191 -12.9191 -12.9044 -12.9044 -12.9026 -12.9026 -12.8920 -12.8920 -5.3635 -5.3635 -4.5524 -4.5524 0.6517 0.6517 2.4175 2.4175 4.5796 4.5796 5.0928 5.0928 5.7707 5.7707 6.3868 6.3868 6.7552 6.7552 7.3904 7.3904 8.6065 8.6065 10.2471 10.2471 11.5382 11.5382 12.0690 12.0690 k =-0.5000 0.1847 0.1759 ( 4042 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9427 -13.9427 -13.9323 -13.9323 -12.9445 -12.9445 -12.9434 -12.9434 -12.9192 -12.9192 -12.9047 -12.9047 -12.9023 -12.9023 -12.8922 -12.8922 -5.3780 -5.3780 -4.5569 -4.5569 0.6805 0.6805 2.5000 2.5000 4.5530 4.5530 5.0716 5.0716 5.7569 5.7569 6.3687 6.3687 6.6733 6.6733 7.3944 7.3944 8.5760 8.5760 10.3867 10.3867 11.6522 11.6522 12.0103 12.0103 k =-0.5000 0.1847 0.1564 ( 4042 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9428 -13.9428 -13.9322 -13.9322 -12.9446 -12.9446 -12.9434 -12.9434 -12.9192 -12.9192 -12.9049 -12.9049 -12.9019 -12.9019 -12.8924 -12.8924 -5.3911 -5.3911 -4.5611 -4.5611 0.7072 0.7072 2.5778 2.5778 4.5291 4.5291 5.0529 5.0529 5.7448 5.7448 6.3493 6.3493 6.5982 6.5982 7.3980 7.3980 8.5480 8.5480 10.5246 10.5246 11.7616 11.7616 11.9519 11.9519 k =-0.5000 0.1847 0.1368 ( 4042 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9429 -13.9429 -13.9322 -13.9322 -12.9447 -12.9447 -12.9434 -12.9434 -12.9192 -12.9192 -12.9051 -12.9051 -12.9016 -12.9016 -12.8926 -12.8926 -5.4027 -5.4027 -4.5650 -4.5650 0.7316 0.7316 2.6500 2.6500 4.5079 4.5079 5.0366 5.0366 5.7346 5.7346 6.3275 6.3275 6.5322 6.5322 7.4012 7.4012 8.5229 8.5229 10.6598 10.6598 11.8614 11.8614 11.9001 11.9001 k =-0.5000 0.1847 0.1173 ( 4044 PWs) bands (ev): -13.9707 -13.9707 -13.9701 -13.9701 -13.9430 -13.9430 -13.9322 -13.9322 -12.9448 -12.9448 -12.9434 -12.9434 -12.9192 -12.9192 -12.9053 -12.9053 -12.9013 -12.9013 -12.8927 -12.8927 -5.4129 -5.4129 -4.5685 -4.5685 0.7534 0.7534 2.7156 2.7156 4.4895 4.4895 5.0226 5.0226 5.7263 5.7263 6.3016 6.3016 6.4781 6.4781 7.4040 7.4040 8.5008 8.5008 10.7912 10.7912 11.8432 11.8432 11.9626 11.9626 k =-0.5000 0.1847 0.0977 ( 4036 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9431 -13.9431 -13.9322 -13.9322 -12.9448 -12.9448 -12.9435 -12.9435 -12.9192 -12.9192 -12.9055 -12.9055 -12.9010 -12.9010 -12.8929 -12.8929 -5.4215 -5.4215 -4.5716 -4.5716 0.7722 0.7722 2.7735 2.7735 4.4740 4.4740 5.0109 5.0109 5.7197 5.7197 6.2713 6.2713 6.4376 6.4376 7.4063 7.4063 8.4817 8.4817 10.9169 10.9169 11.7993 11.7993 12.0450 12.0450 k =-0.5000 0.1847 0.0782 ( 4044 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9432 -13.9432 -13.9322 -13.9322 -12.9449 -12.9449 -12.9435 -12.9435 -12.9192 -12.9192 -12.9057 -12.9057 -12.9007 -12.9007 -12.8930 -12.8930 -5.4286 -5.4286 -4.5741 -4.5741 0.7879 0.7879 2.8227 2.8227 4.4612 4.4612 5.0014 5.0014 5.7148 5.7148 6.2387 6.2387 6.4098 6.4098 7.4082 7.4082 8.4659 8.4659 11.0344 11.0344 11.7621 11.7621 12.1099 12.1099 k =-0.5000 0.1847 0.0586 ( 4042 PWs) bands (ev): -13.9706 -13.9706 -13.9701 -13.9701 -13.9433 -13.9433 -13.9322 -13.9322 -12.9449 -12.9449 -12.9435 -12.9435 -12.9192 -12.9192 -12.9058 -12.9058 -12.9005 -12.9005 -12.8931 -12.8931 -5.4341 -5.4341 -4.5761 -4.5761 0.8003 0.8003 2.8622 2.8622 4.4513 4.4513 4.9941 4.9941 5.7115 5.7115 6.2080 6.2080 6.3917 6.3917 7.4096 7.4096 8.4536 8.4536 11.1397 11.1397 11.7326 11.7326 12.1427 12.1427 k =-0.5000 0.1847 0.0391 ( 4042 PWs) bands (ev): -13.9706 -13.9706 -13.9702 -13.9702 -13.9433 -13.9433 -13.9322 -13.9322 -12.9449 -12.9449 -12.9435 -12.9435 -12.9192 -12.9192 -12.9059 -12.9059 -12.9004 -12.9004 -12.8932 -12.8932 -5.4381 -5.4381 -4.5776 -4.5776 0.8093 0.8093 2.8911 2.8911 4.4442 4.4442 4.9888 4.9888 5.7094 5.7094 6.1834 6.1834 6.3806 6.3806 7.4106 7.4106 8.4446 8.4446 11.2265 11.2265 11.7112 11.7112 12.1302 12.1302 k =-0.5000 0.1847 0.0195 ( 4038 PWs) bands (ev): -13.9706 -13.9706 -13.9702 -13.9702 -13.9433 -13.9433 -13.9322 -13.9322 -12.9450 -12.9450 -12.9435 -12.9435 -12.9193 -12.9193 -12.9059 -12.9059 -12.9003 -12.9003 -12.8932 -12.8932 -5.4404 -5.4404 -4.5785 -4.5785 0.8147 0.8147 2.9087 2.9087 4.4399 4.4399 4.9857 4.9857 5.7082 5.7082 6.1675 6.1675 6.3745 6.3745 7.4112 7.4112 8.4392 8.4392 11.2857 11.2857 11.6984 11.6984 12.1011 12.1011 k =-0.5000 0.1847-0.0000 ( 4036 PWs) bands (ev): -13.9706 -13.9706 -13.9702 -13.9702 -13.9433 -13.9433 -13.9322 -13.9322 -12.9450 -12.9450 -12.9435 -12.9435 -12.9193 -12.9193 -12.9060 -12.9060 -12.9003 -12.9003 -12.8933 -12.8933 -5.4412 -5.4412 -4.5788 -4.5788 0.8165 0.8165 2.9146 2.9146 4.4385 4.4385 4.9847 4.9847 5.7079 5.7079 6.1621 6.1621 6.3725 6.3725 7.4114 7.4114 8.4374 8.4374 11.3071 11.3071 11.6941 11.6941 12.0880 12.0880 k = 0.0000 0.0000 0.7232 ( 4014 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9367 -13.9367 -13.9367 -13.9367 -12.9433 -12.9433 -12.9433 -12.9433 -12.9099 -12.9099 -12.9099 -12.9099 -12.8977 -12.8977 -12.8977 -12.8977 -4.7366 -4.7366 -4.7366 -4.7366 0.9458 0.9458 0.9458 0.9458 4.4734 4.4734 4.4734 4.4734 6.2574 6.2574 6.2574 6.2574 7.6722 7.6722 7.6722 7.6722 8.8144 8.8144 8.8144 8.8144 9.5353 9.5353 9.5353 9.5353 k =-0.0179 0.0066 0.7232 ( 4014 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9367 -13.9367 -13.9367 -13.9367 -12.9433 -12.9433 -12.9433 -12.9433 -12.9100 -12.9100 -12.9100 -12.9100 -12.8977 -12.8977 -12.8977 -12.8977 -4.7365 -4.7365 -4.7365 -4.7365 0.9433 0.9433 0.9433 0.9433 4.4785 4.4785 4.4785 4.4785 6.2568 6.2568 6.2568 6.2568 7.6694 7.6694 7.6694 7.6694 8.8185 8.8185 8.8185 8.8185 9.5372 9.5372 9.5372 9.5372 k =-0.0357 0.0132 0.7232 ( 4014 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9367 -13.9367 -13.9367 -13.9367 -12.9433 -12.9433 -12.9433 -12.9433 -12.9100 -12.9100 -12.9100 -12.9100 -12.8976 -12.8976 -12.8976 -12.8976 -4.7360 -4.7360 -4.7360 -4.7360 0.9359 0.9359 0.9359 0.9359 4.4937 4.4937 4.4937 4.4937 6.2550 6.2550 6.2550 6.2550 7.6610 7.6610 7.6610 7.6610 8.8303 8.8303 8.8303 8.8303 9.5430 9.5430 9.5430 9.5430 k =-0.0536 0.0198 0.7232 ( 4018 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9367 -13.9367 -13.9367 -13.9367 -12.9433 -12.9433 -12.9433 -12.9433 -12.9101 -12.9101 -12.9101 -12.9101 -12.8975 -12.8975 -12.8975 -12.8975 -4.7351 -4.7351 -4.7351 -4.7351 0.9238 0.9238 0.9238 0.9238 4.5189 4.5189 4.5189 4.5189 6.2522 6.2522 6.2522 6.2522 7.6476 7.6476 7.6476 7.6476 8.8497 8.8497 8.8497 8.8497 9.5526 9.5526 9.5526 9.5526 k =-0.0714 0.0264 0.7232 ( 4028 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9367 -13.9367 -13.9367 -13.9367 -12.9433 -12.9433 -12.9433 -12.9433 -12.9103 -12.9103 -12.9103 -12.9103 -12.8974 -12.8974 -12.8974 -12.8974 -4.7340 -4.7340 -4.7340 -4.7340 0.9072 0.9072 0.9072 0.9072 4.5536 4.5536 4.5536 4.5536 6.2482 6.2482 6.2482 6.2482 7.6296 7.6296 7.6296 7.6296 8.8758 8.8758 8.8758 8.8758 9.5658 9.5658 9.5658 9.5658 k =-0.0893 0.0330 0.7232 ( 4038 PWs) bands (ev): -13.9697 -13.9697 -13.9697 -13.9697 -13.9367 -13.9367 -13.9367 -13.9367 -12.9433 -12.9433 -12.9433 -12.9433 -12.9104 -12.9104 -12.9104 -12.9104 -12.8972 -12.8972 -12.8972 -12.8972 -4.7325 -4.7325 -4.7325 -4.7325 0.8866 0.8866 0.8866 0.8866 4.5975 4.5975 4.5975 4.5975 6.2432 6.2432 6.2432 6.2432 7.6078 7.6078 7.6078 7.6078 8.9078 8.9078 8.9078 8.9078 9.5825 9.5825 9.5825 9.5825 k =-0.1071 0.0396 0.7232 ( 4034 PWs) bands (ev): -13.9698 -13.9698 -13.9698 -13.9698 -13.9366 -13.9366 -13.9366 -13.9366 -12.9433 -12.9433 -12.9433 -12.9433 -12.9106 -12.9106 -12.9106 -12.9106 -12.8970 -12.8970 -12.8970 -12.8970 -4.7308 -4.7308 -4.7308 -4.7308 0.8624 0.8624 0.8624 0.8624 4.6499 4.6499 4.6499 4.6499 6.2373 6.2373 6.2373 6.2373 7.5828 7.5828 7.5828 7.5828 8.9449 8.9449 8.9449 8.9449 9.6026 9.6026 9.6026 9.6026 k =-0.1250 0.0462 0.7232 ( 4034 PWs) bands (ev): -13.9698 -13.9698 -13.9698 -13.9698 -13.9366 -13.9366 -13.9366 -13.9366 -12.9432 -12.9432 -12.9432 -12.9432 -12.9108 -12.9108 -12.9108 -12.9108 -12.8968 -12.8968 -12.8968 -12.8968 -4.7288 -4.7288 -4.7288 -4.7288 0.8351 0.8351 0.8351 0.8351 4.7105 4.7105 4.7105 4.7105 6.2306 6.2306 6.2306 6.2306 7.5554 7.5554 7.5554 7.5554 8.9863 8.9863 8.9863 8.9863 9.6259 9.6259 9.6259 9.6259 k =-0.1429 0.0528 0.7232 ( 4032 PWs) bands (ev): -13.9698 -13.9698 -13.9698 -13.9698 -13.9365 -13.9365 -13.9365 -13.9365 -12.9432 -12.9432 -12.9432 -12.9432 -12.9111 -12.9111 -12.9111 -12.9111 -12.8966 -12.8966 -12.8966 -12.8966 -4.7265 -4.7265 -4.7265 -4.7265 0.8053 0.8053 0.8053 0.8053 4.7783 4.7783 4.7783 4.7783 6.2232 6.2232 6.2232 6.2232 7.5262 7.5262 7.5262 7.5262 9.0309 9.0309 9.0309 9.0309 9.6519 9.6519 9.6519 9.6519 k =-0.1607 0.0594 0.7232 ( 4040 PWs) bands (ev): -13.9698 -13.9698 -13.9698 -13.9698 -13.9365 -13.9365 -13.9365 -13.9365 -12.9432 -12.9432 -12.9432 -12.9432 -12.9113 -12.9113 -12.9113 -12.9113 -12.8963 -12.8963 -12.8963 -12.8963 -4.7241 -4.7241 -4.7241 -4.7241 0.7734 0.7734 0.7734 0.7734 4.8529 4.8529 4.8529 4.8529 6.2153 6.2153 6.2153 6.2153 7.4957 7.4957 7.4957 7.4957 9.0780 9.0780 9.0780 9.0780 9.6806 9.6806 9.6806 9.6806 k =-0.1786 0.0660 0.7232 ( 4040 PWs) bands (ev): -13.9699 -13.9699 -13.9699 -13.9699 -13.9364 -13.9364 -13.9364 -13.9364 -12.9431 -12.9431 -12.9431 -12.9431 -12.9116 -12.9116 -12.9116 -12.9116 -12.8960 -12.8960 -12.8960 -12.8960 -4.7214 -4.7214 -4.7214 -4.7214 0.7400 0.7400 0.7400 0.7400 4.9334 4.9334 4.9334 4.9334 6.2069 6.2069 6.2069 6.2069 7.4644 7.4644 7.4644 7.4644 9.1269 9.1269 9.1269 9.1269 9.7114 9.7114 9.7114 9.7114 k =-0.1964 0.0726 0.7232 ( 4044 PWs) bands (ev): -13.9699 -13.9699 -13.9699 -13.9699 -13.9364 -13.9364 -13.9364 -13.9364 -12.9431 -12.9431 -12.9431 -12.9431 -12.9118 -12.9118 -12.9118 -12.9118 -12.8958 -12.8958 -12.8958 -12.8958 -4.7186 -4.7186 -4.7186 -4.7186 0.7057 0.7057 0.7057 0.7057 5.0192 5.0192 5.0192 5.0192 6.1982 6.1982 6.1982 6.1982 7.4327 7.4327 7.4327 7.4327 9.1766 9.1766 9.1766 9.1766 9.7441 9.7441 9.7441 9.7441 k =-0.2143 0.0792 0.7232 ( 4048 PWs) bands (ev): -13.9699 -13.9699 -13.9699 -13.9699 -13.9363 -13.9363 -13.9363 -13.9363 -12.9430 -12.9430 -12.9430 -12.9430 -12.9121 -12.9121 -12.9121 -12.9121 -12.8955 -12.8955 -12.8955 -12.8955 -4.7156 -4.7156 -4.7156 -4.7156 0.6708 0.6708 0.6708 0.6708 5.1095 5.1095 5.1095 5.1095 6.1894 6.1894 6.1894 6.1894 7.4007 7.4007 7.4007 7.4007 9.2265 9.2265 9.2265 9.2265 9.7782 9.7782 9.7782 9.7782 k =-0.2321 0.0858 0.7232 ( 4040 PWs) bands (ev): -13.9700 -13.9700 -13.9700 -13.9700 -13.9363 -13.9363 -13.9363 -13.9363 -12.9430 -12.9430 -12.9430 -12.9430 -12.9124 -12.9124 -12.9124 -12.9124 -12.8952 -12.8952 -12.8952 -12.8952 -4.7126 -4.7126 -4.7126 -4.7126 0.6360 0.6360 0.6360 0.6360 5.2035 5.2035 5.2035 5.2035 6.1807 6.1807 6.1807 6.1807 7.3689 7.3689 7.3689 7.3689 9.2757 9.2757 9.2757 9.2757 9.8132 9.8132 9.8132 9.8132 k =-0.2500 0.0924 0.7232 ( 4044 PWs) bands (ev): -13.9700 -13.9700 -13.9700 -13.9700 -13.9362 -13.9362 -13.9362 -13.9362 -12.9429 -12.9429 -12.9429 -12.9429 -12.9126 -12.9126 -12.9126 -12.9126 -12.8950 -12.8950 -12.8950 -12.8950 -4.7095 -4.7095 -4.7095 -4.7095 0.6015 0.6015 0.6015 0.6015 5.3003 5.3003 5.3003 5.3003 6.1722 6.1722 6.1722 6.1722 7.3373 7.3373 7.3373 7.3373 9.3236 9.3236 9.3236 9.3236 9.8486 9.8486 9.8486 9.8486 k =-0.2679 0.0990 0.7232 ( 4048 PWs) bands (ev): -13.9701 -13.9701 -13.9701 -13.9701 -13.9361 -13.9361 -13.9361 -13.9361 -12.9429 -12.9429 -12.9429 -12.9429 -12.9129 -12.9129 -12.9129 -12.9129 -12.8947 -12.8947 -12.8947 -12.8947 -4.7064 -4.7064 -4.7064 -4.7064 0.5679 0.5679 0.5679 0.5679 5.3992 5.3992 5.3992 5.3992 6.1641 6.1641 6.1641 6.1641 7.3060 7.3060 7.3060 7.3060 9.3694 9.3694 9.3694 9.3694 9.8839 9.8839 9.8839 9.8839 k =-0.2857 0.1056 0.7232 ( 4052 PWs) bands (ev): -13.9701 -13.9701 -13.9701 -13.9701 -13.9361 -13.9361 -13.9361 -13.9361 -12.9429 -12.9429 -12.9429 -12.9429 -12.9131 -12.9131 -12.9131 -12.9131 -12.8945 -12.8945 -12.8945 -12.8945 -4.7034 -4.7034 -4.7034 -4.7034 0.5354 0.5354 0.5354 0.5354 5.4991 5.4991 5.4991 5.4991 6.1569 6.1569 6.1569 6.1569 7.2750 7.2750 7.2750 7.2750 9.4123 9.4123 9.4123 9.4123 9.9183 9.9183 9.9183 9.9183 k =-0.3036 0.1122 0.7232 ( 4046 PWs) bands (ev): -13.9701 -13.9701 -13.9701 -13.9701 -13.9360 -13.9360 -13.9360 -13.9360 -12.9428 -12.9428 -12.9428 -12.9428 -12.9134 -12.9134 -12.9134 -12.9134 -12.8942 -12.8942 -12.8942 -12.8942 -4.7004 -4.7004 -4.7004 -4.7004 0.5044 0.5044 0.5044 0.5044 5.5988 5.5988 5.5988 5.5988 6.1509 6.1509 6.1509 6.1509 7.2445 7.2445 7.2445 7.2445 9.4513 9.4513 9.4513 9.4513 9.9514 9.9514 9.9514 9.9514 k =-0.3214 0.1188 0.7232 ( 4052 PWs) bands (ev): -13.9702 -13.9702 -13.9702 -13.9702 -13.9360 -13.9360 -13.9360 -13.9360 -12.9428 -12.9428 -12.9428 -12.9428 -12.9136 -12.9136 -12.9136 -12.9136 -12.8940 -12.8940 -12.8940 -12.8940 -4.6975 -4.6975 -4.6975 -4.6975 0.4752 0.4752 0.4752 0.4752 5.6969 5.6969 5.6969 5.6969 6.1467 6.1467 6.1467 6.1467 7.2142 7.2142 7.2142 7.2142 9.4858 9.4858 9.4858 9.4858 9.9824 9.9824 9.9824 9.9824 k =-0.3393 0.1253 0.7232 ( 4048 PWs) bands (ev): -13.9702 -13.9702 -13.9702 -13.9702 -13.9359 -13.9359 -13.9359 -13.9359 -12.9427 -12.9427 -12.9427 -12.9427 -12.9138 -12.9138 -12.9138 -12.9138 -12.8938 -12.8938 -12.8938 -12.8938 -4.6947 -4.6947 -4.6947 -4.6947 0.4480 0.4480 0.4480 0.4480 5.7913 5.7913 5.7913 5.7913 6.1457 6.1457 6.1457 6.1457 7.1842 7.1842 7.1842 7.1842 9.5148 9.5148 9.5148 9.5148 10.0108 10.0108 10.0108 10.0108 k =-0.3571 0.1319 0.7232 ( 4040 PWs) bands (ev): -13.9702 -13.9702 -13.9702 -13.9702 -13.9359 -13.9359 -13.9359 -13.9359 -12.9427 -12.9427 -12.9427 -12.9427 -12.9140 -12.9140 -12.9140 -12.9140 -12.8936 -12.8936 -12.8936 -12.8936 -4.6922 -4.6922 -4.6922 -4.6922 0.4231 0.4231 0.4231 0.4231 5.8784 5.8784 5.8784 5.8784 6.1504 6.1504 6.1504 6.1504 7.1543 7.1543 7.1543 7.1543 9.5379 9.5379 9.5379 9.5379 10.0361 10.0361 10.0361 10.0361 k =-0.3750 0.1385 0.7232 ( 4040 PWs) bands (ev): -13.9702 -13.9702 -13.9702 -13.9702 -13.9358 -13.9358 -13.9358 -13.9358 -12.9427 -12.9427 -12.9427 -12.9427 -12.9141 -12.9141 -12.9141 -12.9141 -12.8934 -12.8934 -12.8934 -12.8934 -4.6898 -4.6898 -4.6898 -4.6898 0.4006 0.4006 0.4006 0.4006 5.9517 5.9517 5.9517 5.9517 6.1661 6.1661 6.1661 6.1661 7.1245 7.1245 7.1245 7.1245 9.5545 9.5545 9.5545 9.5545 10.0581 10.0581 10.0581 10.0581 k =-0.3929 0.1451 0.7232 ( 4046 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9358 -13.9358 -13.9358 -13.9358 -12.9426 -12.9426 -12.9426 -12.9426 -12.9143 -12.9143 -12.9143 -12.9143 -12.8933 -12.8933 -12.8933 -12.8933 -4.6877 -4.6877 -4.6877 -4.6877 0.3808 0.3808 0.3808 0.3808 6.0028 6.0028 6.0028 6.0028 6.2000 6.2000 6.2000 6.2000 7.0949 7.0949 7.0949 7.0949 9.5647 9.5647 9.5647 9.5647 10.0765 10.0765 10.0765 10.0765 k =-0.4107 0.1517 0.7232 ( 4050 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9358 -13.9358 -13.9358 -13.9358 -12.9426 -12.9426 -12.9426 -12.9426 -12.9144 -12.9144 -12.9144 -12.9144 -12.8931 -12.8931 -12.8931 -12.8931 -4.6858 -4.6858 -4.6858 -4.6858 0.3638 0.3638 0.3638 0.3638 6.0301 6.0301 6.0301 6.0301 6.2519 6.2519 6.2519 6.2519 7.0656 7.0656 7.0656 7.0656 9.5691 9.5691 9.5691 9.5691 10.0915 10.0915 10.0915 10.0915 k =-0.4286 0.1583 0.7232 ( 4054 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9357 -13.9357 -13.9357 -13.9357 -12.9426 -12.9426 -12.9426 -12.9426 -12.9145 -12.9145 -12.9145 -12.9145 -12.8930 -12.8930 -12.8930 -12.8930 -4.6843 -4.6843 -4.6843 -4.6843 0.3497 0.3497 0.3497 0.3497 6.0425 6.0425 6.0425 6.0425 6.3113 6.3113 6.3113 6.3113 7.0372 7.0372 7.0372 7.0372 9.5690 9.5690 9.5690 9.5690 10.1034 10.1034 10.1034 10.1034 k =-0.4464 0.1649 0.7232 ( 4060 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9357 -13.9357 -13.9357 -13.9357 -12.9426 -12.9426 -12.9426 -12.9426 -12.9146 -12.9146 -12.9146 -12.9146 -12.8930 -12.8930 -12.8930 -12.8930 -4.6831 -4.6831 -4.6831 -4.6831 0.3386 0.3386 0.3387 0.3387 6.0478 6.0478 6.0478 6.0478 6.3676 6.3676 6.3676 6.3676 7.0109 7.0109 7.0109 7.0109 9.5661 9.5661 9.5661 9.5661 10.1124 10.1124 10.1124 10.1124 k =-0.4643 0.1715 0.7232 ( 4062 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9357 -13.9357 -13.9357 -13.9357 -12.9426 -12.9426 -12.9426 -12.9426 -12.9147 -12.9147 -12.9147 -12.9147 -12.8929 -12.8929 -12.8929 -12.8929 -4.6822 -4.6822 -4.6822 -4.6822 0.3307 0.3307 0.3307 0.3307 6.0501 6.0501 6.0501 6.0501 6.4138 6.4138 6.4138 6.4138 6.9887 6.9887 6.9887 6.9887 9.5621 9.5621 9.5621 9.5621 10.1186 10.1186 10.1186 10.1186 k =-0.4821 0.1781 0.7232 ( 4060 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9357 -13.9357 -13.9357 -13.9357 -12.9425 -12.9425 -12.9425 -12.9425 -12.9147 -12.9147 -12.9147 -12.9147 -12.8929 -12.8929 -12.8929 -12.8929 -4.6817 -4.6817 -4.6817 -4.6817 0.3259 0.3259 0.3259 0.3259 6.0510 6.0510 6.0510 6.0510 6.4443 6.4443 6.4443 6.4443 6.9734 6.9734 6.9734 6.9734 9.5590 9.5590 9.5590 9.5590 10.1224 10.1224 10.1224 10.1224 k =-0.5000 0.1847 0.7232 ( 4064 PWs) bands (ev): -13.9703 -13.9703 -13.9703 -13.9703 -13.9357 -13.9357 -13.9357 -13.9357 -12.9425 -12.9425 -12.9425 -12.9425 -12.9147 -12.9147 -12.9147 -12.9147 -12.8928 -12.8928 -12.8928 -12.8928 -4.6815 -4.6815 -4.6815 -4.6815 0.3243 0.3243 0.3243 0.3243 6.0512 6.0512 6.0512 6.0512 6.4551 6.4551 6.4551 6.4551 6.9678 6.9678 6.9678 6.9678 9.5578 9.5578 9.5578 9.5578 10.1236 10.1236 10.1236 10.1236 Writing output data file SnSe.save init_run : 3.20s CPU 12.98s WALL ( 1 calls) electrons : 536.14s CPU 545.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.17s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 536.12s CPU 545.54s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.89s WALL ( 1 calls) v_h : 0.01s CPU 0.07s WALL ( 1 calls) v_xc : 0.03s CPU 0.58s WALL ( 1 calls) newd : 0.40s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.12s WALL ( 394 calls) cegterg : 462.36s CPU 465.88s WALL ( 705 calls) Called by sum_band: Called by *egterg: h_psi : 225.13s CPU 231.48s WALL ( 11377 calls) s_psi : 16.65s CPU 17.39s WALL ( 11377 calls) g_psi : 0.54s CPU 0.59s WALL ( 10278 calls) cdiaghg : 153.94s CPU 152.06s WALL ( 10672 calls) cegterg:over : 45.12s CPU 42.00s WALL ( 10278 calls) cegterg:upda : 8.26s CPU 11.43s WALL ( 10278 calls) cegterg:last : 8.04s CPU 8.81s WALL ( 1887 calls) Called by h_psi: h_psi:vloc : 189.80s CPU 195.34s WALL ( 11377 calls) h_psi:vnl : 35.10s CPU 35.51s WALL ( 11377 calls) add_vuspsi : 9.77s CPU 13.31s WALL ( 11377 calls) General routines calbec : 25.30s CPU 22.14s WALL ( 11377 calls) fft : 0.34s CPU 1.33s WALL ( 19 calls) ffts : 0.02s CPU 0.05s WALL ( 4 calls) fftw : 181.47s CPU 185.47s WALL ( 1086408 calls) interpolate : 0.04s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 4.15s WALL ( 788 calls) Parallel routines fft_scatter : 106.32s CPU 108.44s WALL ( 1086431 calls) PWSCF : 10m 7.40s CPU 12m 4.46s WALL This run was terminated on: 7:39:29 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=