Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:27:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxSiAux2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 102 44 12 2585 734 116 Max 103 45 13 2588 751 119 Sum 3679 1589 463 93083 26649 4247 bravais-lattice index = 14 lattice parameter (alat) = 11.0886 a.u. unit-cell volume = 630.9599 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.088570 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.728991 celldm(5)= -0.728991 celldm(6)= 0.457982 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.457982 0.888962 0.000000 ) a(3) = ( -0.728991 -0.444481 0.520585 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.515187 0.960457 ) b(2) = ( 0.000000 1.124908 0.960457 ) b(3) = ( 0.000000 0.000000 1.920914 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 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. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0000000 0.0184703), wk = 0.0029326 k( 3) = ( 0.0000000 0.0000000 0.0369407), wk = 0.0029326 k( 4) = ( 0.0000000 0.0000000 0.0554110), wk = 0.0029326 k( 5) = ( 0.0000000 0.0000000 0.0738813), wk = 0.0029326 k( 6) = ( 0.0000000 0.0000000 0.0923516), wk = 0.0029326 k( 7) = ( 0.0000000 0.0000000 0.1108220), wk = 0.0029326 k( 8) = ( 0.0000000 0.0000000 0.1292923), wk = 0.0029326 k( 9) = ( 0.0000000 0.0000000 0.1477626), wk = 0.0029326 k( 10) = ( 0.0000000 0.0000000 0.1662330), wk = 0.0029326 k( 11) = ( 0.0000000 0.0000000 0.1847033), wk = 0.0029326 k( 12) = ( 0.0000000 0.0000000 0.2031736), wk = 0.0029326 k( 13) = ( 0.0000000 0.0000000 0.2216440), wk = 0.0029326 k( 14) = ( 0.0000000 0.0000000 0.2401143), wk = 0.0029326 k( 15) = ( 0.0000000 0.0000000 0.2585846), wk = 0.0029326 k( 16) = ( 0.0000000 0.0000000 0.2770549), wk = 0.0029326 k( 17) = ( 0.0000000 0.0000000 0.2955253), wk = 0.0029326 k( 18) = ( 0.0000000 0.0000000 0.3139956), wk = 0.0029326 k( 19) = ( 0.0000000 0.0000000 0.3324659), wk = 0.0029326 k( 20) = ( 0.0000000 0.0000000 0.3509362), wk = 0.0029326 k( 21) = ( 0.0000000 0.0000000 0.3694066), wk = 0.0029326 k( 22) = ( 0.0000000 0.0000000 0.3878769), wk = 0.0029326 k( 23) = ( 0.0000000 0.0000000 0.4063472), wk = 0.0029326 k( 24) = ( 0.0000000 0.0000000 0.4248176), wk = 0.0029326 k( 25) = ( 0.0000000 0.0000000 0.4432879), wk = 0.0029326 k( 26) = ( 0.0000000 0.0000000 0.4617582), wk = 0.0029326 k( 27) = ( 0.0000000 0.0000000 0.4802285), wk = 0.0029326 k( 28) = ( 0.0000000 0.0000000 0.4986989), wk = 0.0029326 k( 29) = ( 0.0000000 0.0000000 0.5171692), wk = 0.0029326 k( 30) = ( 0.0000000 0.0000000 0.5356395), wk = 0.0029326 k( 31) = ( 0.0000000 0.0000000 0.5541099), wk = 0.0029326 k( 32) = ( 0.0000000 0.0000000 0.5725802), wk = 0.0029326 k( 33) = ( 0.0000000 0.0000000 0.5910505), wk = 0.0029326 k( 34) = ( 0.0000000 0.0000000 0.6095208), wk = 0.0029326 k( 35) = ( 0.0000000 0.0000000 0.6279912), wk = 0.0029326 k( 36) = ( 0.0000000 0.0000000 0.6464615), wk = 0.0029326 k( 37) = ( 0.0000000 0.0000000 0.6649318), wk = 0.0029326 k( 38) = ( 0.0000000 0.0000000 0.6834022), wk = 0.0029326 k( 39) = ( 0.0000000 0.0000000 0.7018725), wk = 0.0029326 k( 40) = ( 0.0000000 0.0000000 0.7203428), wk = 0.0029326 k( 41) = ( 0.0000000 0.0000000 0.7388131), wk = 0.0029326 k( 42) = ( 0.0000000 0.0000000 0.7572835), wk = 0.0029326 k( 43) = ( 0.0000000 0.0000000 0.7757538), wk = 0.0029326 k( 44) = ( 0.0000000 0.0000000 0.7942241), wk = 0.0029326 k( 45) = ( 0.0000000 0.0000000 0.8126945), wk = 0.0029326 k( 46) = ( 0.0000000 0.0000000 0.8311648), wk = 0.0029326 k( 47) = ( 0.0000000 0.0000000 0.8496351), wk = 0.0029326 k( 48) = ( 0.0000000 0.0000000 0.8681055), wk = 0.0029326 k( 49) = ( 0.0000000 0.0000000 0.8865758), wk = 0.0029326 k( 50) = ( 0.0000000 0.0000000 0.9050461), wk = 0.0029326 k( 51) = ( 0.0000000 0.0000000 0.9235164), wk = 0.0029326 k( 52) = ( 0.0000000 0.0000000 0.9419868), wk = 0.0029326 k( 53) = ( 0.0000000 0.0000000 0.9604571), wk = 0.0029326 k( 54) = ( 0.0000000 0.0000000 0.9604571), wk = 0.0029326 k( 55) = ( -0.0092940 0.0152430 0.9604571), wk = 0.0029326 k( 56) = ( -0.0185880 0.0304860 0.9604571), wk = 0.0029326 k( 57) = ( -0.0278820 0.0457291 0.9604571), wk = 0.0029326 k( 58) = ( -0.0371759 0.0609721 0.9604571), wk = 0.0029326 k( 59) = ( -0.0464699 0.0762151 0.9604571), wk = 0.0029326 k( 60) = ( -0.0557639 0.0914581 0.9604571), wk = 0.0029326 k( 61) = ( -0.0650579 0.1067011 0.9604571), wk = 0.0029326 k( 62) = ( -0.0743519 0.1219442 0.9604571), wk = 0.0029326 k( 63) = ( -0.0836459 0.1371872 0.9604571), wk = 0.0029326 k( 64) = ( -0.0929399 0.1524302 0.9604571), wk = 0.0029326 k( 65) = ( -0.0929399 0.1524302 0.9604571), wk = 0.0029326 k( 66) = ( -0.0997242 0.1635572 0.9474250), wk = 0.0029326 k( 67) = ( -0.1065085 0.1746841 0.9343928), wk = 0.0029326 k( 68) = ( -0.1132929 0.1858111 0.9213607), wk = 0.0029326 k( 69) = ( -0.1200772 0.1969380 0.9083286), wk = 0.0029326 k( 70) = ( -0.1268615 0.2080650 0.8952965), wk = 0.0029326 k( 71) = ( -0.1336459 0.2191919 0.8822643), wk = 0.0029326 k( 72) = ( -0.1404302 0.2303189 0.8692322), wk = 0.0029326 k( 73) = ( -0.1472145 0.2414458 0.8562001), wk = 0.0029326 k( 74) = ( -0.1539989 0.2525728 0.8431680), wk = 0.0029326 k( 75) = ( -0.1607832 0.2636997 0.8301358), wk = 0.0029326 k( 76) = ( -0.1675676 0.2748267 0.8171037), wk = 0.0029326 k( 77) = ( -0.1743519 0.2859537 0.8040716), wk = 0.0029326 k( 78) = ( -0.1811362 0.2970806 0.7910394), wk = 0.0029326 k( 79) = ( -0.1879206 0.3082076 0.7780073), wk = 0.0029326 k( 80) = ( -0.1947049 0.3193345 0.7649752), wk = 0.0029326 k( 81) = ( -0.2014892 0.3304615 0.7519431), wk = 0.0029326 k( 82) = ( -0.2082736 0.3415884 0.7389109), wk = 0.0029326 k( 83) = ( -0.2150579 0.3527154 0.7258788), wk = 0.0029326 k( 84) = ( -0.2218422 0.3638423 0.7128467), wk = 0.0029326 k( 85) = ( -0.2286266 0.3749693 0.6998146), wk = 0.0029326 k( 86) = ( -0.2354109 0.3860962 0.6867824), wk = 0.0029326 k( 87) = ( -0.2421953 0.3972232 0.6737503), wk = 0.0029326 k( 88) = ( -0.2489796 0.4083502 0.6607182), wk = 0.0029326 k( 89) = ( -0.2557639 0.4194771 0.6476861), wk = 0.0029326 k( 90) = ( -0.2625483 0.4306041 0.6346539), wk = 0.0029326 k( 91) = ( -0.2693326 0.4417310 0.6216218), wk = 0.0029326 k( 92) = ( -0.2761169 0.4528580 0.6085897), wk = 0.0029326 k( 93) = ( -0.2829013 0.4639849 0.5955576), wk = 0.0029326 k( 94) = ( -0.2896856 0.4751119 0.5825254), wk = 0.0029326 k( 95) = ( -0.2964699 0.4862388 0.5694933), wk = 0.0029326 k( 96) = ( -0.2964699 0.4862388 0.5694933), wk = 0.0029326 k( 97) = ( -0.2897320 0.4751879 0.5565503), wk = 0.0029326 k( 98) = ( -0.2829940 0.4641371 0.5436072), wk = 0.0029326 k( 99) = ( -0.2762561 0.4530862 0.5306642), wk = 0.0029326 k( 100) = ( -0.2695181 0.4420353 0.5177212), wk = 0.0029326 k( 101) = ( -0.2627802 0.4309844 0.5047782), wk = 0.0029326 k( 102) = ( -0.2560422 0.4199335 0.4918351), wk = 0.0029326 k( 103) = ( -0.2493043 0.4088826 0.4788921), wk = 0.0029326 k( 104) = ( -0.2425663 0.3978318 0.4659491), wk = 0.0029326 k( 105) = ( -0.2358284 0.3867809 0.4530060), wk = 0.0029326 k( 106) = ( -0.2290904 0.3757300 0.4400630), wk = 0.0029326 k( 107) = ( -0.2223525 0.3646791 0.4271200), wk = 0.0029326 k( 108) = ( -0.2156145 0.3536282 0.4141769), wk = 0.0029326 k( 109) = ( -0.2088765 0.3425773 0.4012339), wk = 0.0029326 k( 110) = ( -0.2021386 0.3315265 0.3882909), wk = 0.0029326 k( 111) = ( -0.1954006 0.3204756 0.3753479), wk = 0.0029326 k( 112) = ( -0.1886627 0.3094247 0.3624048), wk = 0.0029326 k( 113) = ( -0.1819247 0.2983738 0.3494618), wk = 0.0029326 k( 114) = ( -0.1751868 0.2873229 0.3365188), wk = 0.0029326 k( 115) = ( -0.1684488 0.2762721 0.3235757), wk = 0.0029326 k( 116) = ( -0.1617109 0.2652212 0.3106327), wk = 0.0029326 k( 117) = ( -0.1549729 0.2541703 0.2976897), wk = 0.0029326 k( 118) = ( -0.1482350 0.2431194 0.2847467), wk = 0.0029326 k( 119) = ( -0.1414970 0.2320685 0.2718036), wk = 0.0029326 k( 120) = ( -0.1347591 0.2210176 0.2588606), wk = 0.0029326 k( 121) = ( -0.1280211 0.2099668 0.2459176), wk = 0.0029326 k( 122) = ( -0.1212832 0.1989159 0.2329745), wk = 0.0029326 k( 123) = ( -0.1145452 0.1878650 0.2200315), wk = 0.0029326 k( 124) = ( -0.1078072 0.1768141 0.2070885), wk = 0.0029326 k( 125) = ( -0.1010693 0.1657632 0.1941455), wk = 0.0029326 k( 126) = ( -0.0943313 0.1547123 0.1812024), wk = 0.0029326 k( 127) = ( -0.0875934 0.1436615 0.1682594), wk = 0.0029326 k( 128) = ( -0.0808554 0.1326106 0.1553164), wk = 0.0029326 k( 129) = ( -0.0741175 0.1215597 0.1423733), wk = 0.0029326 k( 130) = ( -0.0673795 0.1105088 0.1294303), wk = 0.0029326 k( 131) = ( -0.0606416 0.0994579 0.1164873), wk = 0.0029326 k( 132) = ( -0.0539036 0.0884071 0.1035442), wk = 0.0029326 k( 133) = ( -0.0471657 0.0773562 0.0906012), wk = 0.0029326 k( 134) = ( -0.0404277 0.0663053 0.0776582), wk = 0.0029326 k( 135) = ( -0.0336898 0.0552544 0.0647152), wk = 0.0029326 k( 136) = ( -0.0269518 0.0442035 0.0517721), wk = 0.0029326 k( 137) = ( -0.0202139 0.0331526 0.0388291), wk = 0.0029326 k( 138) = ( -0.0134759 0.0221018 0.0258861), wk = 0.0029326 k( 139) = ( -0.0067380 0.0110509 0.0129430), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 142) = ( 0.0156250 0.0095269 0.0000000), wk = 0.0029326 k( 143) = ( 0.0312500 0.0190538 0.0000000), wk = 0.0029326 k( 144) = ( 0.0468750 0.0285807 0.0000000), wk = 0.0029326 k( 145) = ( 0.0625000 0.0381076 0.0000000), wk = 0.0029326 k( 146) = ( 0.0781250 0.0476344 0.0000000), wk = 0.0029326 k( 147) = ( 0.0937500 0.0571613 0.0000000), wk = 0.0029326 k( 148) = ( 0.1093750 0.0666882 0.0000000), wk = 0.0029326 k( 149) = ( 0.1250000 0.0762151 0.0000000), wk = 0.0029326 k( 150) = ( 0.1406250 0.0857420 0.0000000), wk = 0.0029326 k( 151) = ( 0.1562500 0.0952689 0.0000000), wk = 0.0029326 k( 152) = ( 0.1718750 0.1047958 0.0000000), wk = 0.0029326 k( 153) = ( 0.1875000 0.1143227 0.0000000), wk = 0.0029326 k( 154) = ( 0.2031250 0.1238495 0.0000000), wk = 0.0029326 k( 155) = ( 0.2187500 0.1333764 0.0000000), wk = 0.0029326 k( 156) = ( 0.2343750 0.1429033 0.0000000), wk = 0.0029326 k( 157) = ( 0.2500000 0.1524302 0.0000000), wk = 0.0029326 k( 158) = ( 0.2656250 0.1619571 0.0000000), wk = 0.0029326 k( 159) = ( 0.2812500 0.1714840 0.0000000), wk = 0.0029326 k( 160) = ( 0.2968750 0.1810109 0.0000000), wk = 0.0029326 k( 161) = ( 0.3125000 0.1905378 0.0000000), wk = 0.0029326 k( 162) = ( 0.3281250 0.2000646 0.0000000), wk = 0.0029326 k( 163) = ( 0.3437500 0.2095915 0.0000000), wk = 0.0029326 k( 164) = ( 0.3593750 0.2191184 0.0000000), wk = 0.0029326 k( 165) = ( 0.3750000 0.2286453 0.0000000), wk = 0.0029326 k( 166) = ( 0.3906250 0.2381722 0.0000000), wk = 0.0029326 k( 167) = ( 0.4062500 0.2476991 0.0000000), wk = 0.0029326 k( 168) = ( 0.4218750 0.2572260 0.0000000), wk = 0.0029326 k( 169) = ( 0.4375000 0.2667529 0.0000000), wk = 0.0029326 k( 170) = ( 0.4531250 0.2762797 0.0000000), wk = 0.0029326 k( 171) = ( 0.4687500 0.2858066 0.0000000), wk = 0.0029326 k( 172) = ( 0.4843750 0.2953335 0.0000000), wk = 0.0029326 k( 173) = ( 0.5000000 0.3048604 0.0000000), wk = 0.0029326 k( 174) = ( 0.5000000 0.3048604 0.0000000), wk = 0.0029326 k( 175) = ( 0.4932157 0.3159874 0.0130321), wk = 0.0029326 k( 176) = ( 0.4864313 0.3271143 0.0260643), wk = 0.0029326 k( 177) = ( 0.4796470 0.3382413 0.0390964), wk = 0.0029326 k( 178) = ( 0.4728627 0.3493682 0.0521285), wk = 0.0029326 k( 179) = ( 0.4660783 0.3604952 0.0651606), wk = 0.0029326 k( 180) = ( 0.4592940 0.3716221 0.0781928), wk = 0.0029326 k( 181) = ( 0.4525096 0.3827491 0.0912249), wk = 0.0029326 k( 182) = ( 0.4457253 0.3938760 0.1042570), wk = 0.0029326 k( 183) = ( 0.4389410 0.4050030 0.1172891), wk = 0.0029326 k( 184) = ( 0.4321566 0.4161300 0.1303213), wk = 0.0029326 k( 185) = ( 0.4253723 0.4272569 0.1433534), wk = 0.0029326 k( 186) = ( 0.4185880 0.4383839 0.1563855), wk = 0.0029326 k( 187) = ( 0.4118036 0.4495108 0.1694176), wk = 0.0029326 k( 188) = ( 0.4050193 0.4606378 0.1824498), wk = 0.0029326 k( 189) = ( 0.3982350 0.4717647 0.1954819), wk = 0.0029326 k( 190) = ( 0.3914506 0.4828917 0.2085140), wk = 0.0029326 k( 191) = ( 0.3846663 0.4940186 0.2215461), wk = 0.0029326 k( 192) = ( 0.3778820 0.5051456 0.2345783), wk = 0.0029326 k( 193) = ( 0.3710976 0.5162725 0.2476104), wk = 0.0029326 k( 194) = ( 0.3643133 0.5273995 0.2606425), wk = 0.0029326 k( 195) = ( 0.3575290 0.5385265 0.2736747), wk = 0.0029326 k( 196) = ( 0.3507446 0.5496534 0.2867068), wk = 0.0029326 k( 197) = ( 0.3439603 0.5607804 0.2997389), wk = 0.0029326 k( 198) = ( 0.3371760 0.5719073 0.3127710), wk = 0.0029326 k( 199) = ( 0.3303916 0.5830343 0.3258032), wk = 0.0029326 k( 200) = ( 0.3236073 0.5941612 0.3388353), wk = 0.0029326 k( 201) = ( 0.3168229 0.6052882 0.3518674), wk = 0.0029326 k( 202) = ( 0.3100386 0.6164151 0.3648995), wk = 0.0029326 k( 203) = ( 0.3032543 0.6275421 0.3779317), wk = 0.0029326 k( 204) = ( 0.2964699 0.6386690 0.3909638), wk = 0.0029326 k( 205) = ( 0.2964699 0.6386690 0.3909638), wk = 0.0029326 k( 206) = ( 0.2799994 0.6344349 0.3959229), wk = 0.0029326 k( 207) = ( 0.2635288 0.6302007 0.4008821), wk = 0.0029326 k( 208) = ( 0.2470583 0.6259665 0.4058412), wk = 0.0029326 k( 209) = ( 0.2305877 0.6217323 0.4108004), wk = 0.0029326 k( 210) = ( 0.2141172 0.6174982 0.4157596), wk = 0.0029326 k( 211) = ( 0.1976466 0.6132640 0.4207187), wk = 0.0029326 k( 212) = ( 0.1811761 0.6090298 0.4256779), wk = 0.0029326 k( 213) = ( 0.1647055 0.6047957 0.4306370), wk = 0.0029326 k( 214) = ( 0.1482350 0.6005615 0.4355962), wk = 0.0029326 k( 215) = ( 0.1317644 0.5963273 0.4405553), wk = 0.0029326 k( 216) = ( 0.1152939 0.5920931 0.4455145), wk = 0.0029326 k( 217) = ( 0.0988233 0.5878590 0.4504736), wk = 0.0029326 k( 218) = ( 0.0823528 0.5836248 0.4554328), wk = 0.0029326 k( 219) = ( 0.0658822 0.5793906 0.4603919), wk = 0.0029326 k( 220) = ( 0.0494117 0.5751564 0.4653511), wk = 0.0029326 k( 221) = ( 0.0329411 0.5709223 0.4703102), wk = 0.0029326 k( 222) = ( 0.0164706 0.5666881 0.4752694), wk = 0.0029326 k( 223) = ( 0.0000000 0.5624539 0.4802285), wk = 0.0029326 k( 224) = ( 0.0000000 0.5624539 0.4802285), wk = 0.0029326 k( 225) = ( 0.0067568 0.5513722 0.4932077), wk = 0.0029326 k( 226) = ( 0.0135135 0.5402905 0.5061868), wk = 0.0029326 k( 227) = ( 0.0202703 0.5292088 0.5191660), wk = 0.0029326 k( 228) = ( 0.0270270 0.5181270 0.5321451), wk = 0.0029326 k( 229) = ( 0.0337838 0.5070453 0.5451243), wk = 0.0029326 k( 230) = ( 0.0405405 0.4959636 0.5581034), wk = 0.0029326 k( 231) = ( 0.0472973 0.4848819 0.5710826), wk = 0.0029326 k( 232) = ( 0.0540540 0.4738002 0.5840617), wk = 0.0029326 k( 233) = ( 0.0608108 0.4627184 0.5970409), wk = 0.0029326 k( 234) = ( 0.0675676 0.4516367 0.6100200), wk = 0.0029326 k( 235) = ( 0.0743243 0.4405550 0.6229992), wk = 0.0029326 k( 236) = ( 0.0810811 0.4294733 0.6359783), wk = 0.0029326 k( 237) = ( 0.0878378 0.4183915 0.6489575), wk = 0.0029326 k( 238) = ( 0.0945946 0.4073098 0.6619366), wk = 0.0029326 k( 239) = ( 0.1013514 0.3962281 0.6749158), wk = 0.0029326 k( 240) = ( 0.1081081 0.3851464 0.6878949), wk = 0.0029326 k( 241) = ( 0.1148649 0.3740647 0.7008741), wk = 0.0029326 k( 242) = ( 0.1216216 0.3629829 0.7138532), wk = 0.0029326 k( 243) = ( 0.1283784 0.3519012 0.7268324), wk = 0.0029326 k( 244) = ( 0.1351351 0.3408195 0.7398115), wk = 0.0029326 k( 245) = ( 0.1418919 0.3297378 0.7527907), wk = 0.0029326 k( 246) = ( 0.1486486 0.3186560 0.7657698), wk = 0.0029326 k( 247) = ( 0.1554054 0.3075743 0.7787490), wk = 0.0029326 k( 248) = ( 0.1621622 0.2964926 0.7917281), wk = 0.0029326 k( 249) = ( 0.1689189 0.2854109 0.8047073), wk = 0.0029326 k( 250) = ( 0.1756757 0.2743291 0.8176864), wk = 0.0029326 k( 251) = ( 0.1824324 0.2632474 0.8306656), wk = 0.0029326 k( 252) = ( 0.1891892 0.2521657 0.8436447), wk = 0.0029326 k( 253) = ( 0.1959460 0.2410840 0.8566239), wk = 0.0029326 k( 254) = ( 0.2027027 0.2300023 0.8696030), wk = 0.0029326 k( 255) = ( 0.2094595 0.2189205 0.8825822), wk = 0.0029326 k( 256) = ( 0.2162162 0.2078388 0.8955613), wk = 0.0029326 k( 257) = ( 0.2229730 0.1967571 0.9085405), wk = 0.0029326 k( 258) = ( 0.2297297 0.1856754 0.9215196), wk = 0.0029326 k( 259) = ( 0.2364865 0.1745936 0.9344988), wk = 0.0029326 k( 260) = ( 0.2432432 0.1635119 0.9474779), wk = 0.0029326 k( 261) = ( 0.2500000 0.1524302 0.9604571), wk = 0.0029326 k( 262) = ( 0.2500000 0.1524302 0.9604571), wk = 0.0029326 k( 263) = ( 0.2631579 0.1604528 0.9510608), wk = 0.0029326 k( 264) = ( 0.2763158 0.1684755 0.9416645), wk = 0.0029326 k( 265) = ( 0.2894737 0.1764981 0.9322682), wk = 0.0029326 k( 266) = ( 0.3026316 0.1845208 0.9228719), wk = 0.0029326 k( 267) = ( 0.3157895 0.1925434 0.9134756), wk = 0.0029326 k( 268) = ( 0.3289474 0.2005661 0.9040794), wk = 0.0029326 k( 269) = ( 0.3421053 0.2085887 0.8946830), wk = 0.0029326 k( 270) = ( 0.3552632 0.2166113 0.8852868), wk = 0.0029326 k( 271) = ( 0.3684211 0.2246340 0.8758905), wk = 0.0029326 k( 272) = ( 0.3815789 0.2326566 0.8664942), wk = 0.0029326 k( 273) = ( 0.3947368 0.2406793 0.8570979), wk = 0.0029326 k( 274) = ( 0.4078947 0.2487019 0.8477016), wk = 0.0029326 k( 275) = ( 0.4210526 0.2567246 0.8383053), wk = 0.0029326 k( 276) = ( 0.4342105 0.2647472 0.8289090), wk = 0.0029326 k( 277) = ( 0.4473684 0.2727698 0.8195127), wk = 0.0029326 k( 278) = ( 0.4605263 0.2807925 0.8101165), wk = 0.0029326 k( 279) = ( 0.4736842 0.2888151 0.8007201), wk = 0.0029326 k( 280) = ( 0.4868421 0.2968378 0.7913239), wk = 0.0029326 k( 281) = ( 0.5000000 0.3048604 0.7819276), wk = 0.0029326 k( 282) = ( 0.5000000 0.3048604 0.7819276), wk = 0.0029326 k( 283) = ( 0.5000000 0.3048604 0.7633102), wk = 0.0029326 k( 284) = ( 0.5000000 0.3048604 0.7446929), wk = 0.0029326 k( 285) = ( 0.5000000 0.3048604 0.7260756), wk = 0.0029326 k( 286) = ( 0.5000000 0.3048604 0.7074583), wk = 0.0029326 k( 287) = ( 0.5000000 0.3048604 0.6888410), wk = 0.0029326 k( 288) = ( 0.5000000 0.3048604 0.6702236), wk = 0.0029326 k( 289) = ( 0.5000000 0.3048604 0.6516063), wk = 0.0029326 k( 290) = ( 0.5000000 0.3048604 0.6329890), wk = 0.0029326 k( 291) = ( 0.5000000 0.3048604 0.6143717), wk = 0.0029326 k( 292) = ( 0.5000000 0.3048604 0.5957543), wk = 0.0029326 k( 293) = ( 0.5000000 0.3048604 0.5771370), wk = 0.0029326 k( 294) = ( 0.5000000 0.3048604 0.5585197), wk = 0.0029326 k( 295) = ( 0.5000000 0.3048604 0.5399024), wk = 0.0029326 k( 296) = ( 0.5000000 0.3048604 0.5212850), wk = 0.0029326 k( 297) = ( 0.5000000 0.3048604 0.5026677), wk = 0.0029326 k( 298) = ( 0.5000000 0.3048604 0.4840504), wk = 0.0029326 k( 299) = ( 0.5000000 0.3048604 0.4654331), wk = 0.0029326 k( 300) = ( 0.5000000 0.3048604 0.4468158), wk = 0.0029326 k( 301) = ( 0.5000000 0.3048604 0.4281984), wk = 0.0029326 k( 302) = ( 0.5000000 0.3048604 0.4095811), wk = 0.0029326 k( 303) = ( 0.5000000 0.3048604 0.3909638), wk = 0.0029326 k( 304) = ( 0.5000000 0.3048604 0.3723465), wk = 0.0029326 k( 305) = ( 0.5000000 0.3048604 0.3537291), wk = 0.0029326 k( 306) = ( 0.5000000 0.3048604 0.3351118), wk = 0.0029326 k( 307) = ( 0.5000000 0.3048604 0.3164945), wk = 0.0029326 k( 308) = ( 0.5000000 0.3048604 0.2978772), wk = 0.0029326 k( 309) = ( 0.5000000 0.3048604 0.2792599), wk = 0.0029326 k( 310) = ( 0.5000000 0.3048604 0.2606425), wk = 0.0029326 k( 311) = ( 0.5000000 0.3048604 0.2420252), wk = 0.0029326 k( 312) = ( 0.5000000 0.3048604 0.2234079), wk = 0.0029326 k( 313) = ( 0.5000000 0.3048604 0.2047906), wk = 0.0029326 k( 314) = ( 0.5000000 0.3048604 0.1861732), wk = 0.0029326 k( 315) = ( 0.5000000 0.3048604 0.1675559), wk = 0.0029326 k( 316) = ( 0.5000000 0.3048604 0.1489386), wk = 0.0029326 k( 317) = ( 0.5000000 0.3048604 0.1303213), wk = 0.0029326 k( 318) = ( 0.5000000 0.3048604 0.1117039), wk = 0.0029326 k( 319) = ( 0.5000000 0.3048604 0.0930866), wk = 0.0029326 k( 320) = ( 0.5000000 0.3048604 0.0744693), wk = 0.0029326 k( 321) = ( 0.5000000 0.3048604 0.0558520), wk = 0.0029326 k( 322) = ( 0.5000000 0.3048604 0.0372347), wk = 0.0029326 k( 323) = ( 0.5000000 0.3048604 0.0186173), wk = 0.0029326 k( 324) = ( 0.5000000 0.3048604 0.0000000), wk = 0.0029326 k( 325) = ( 0.0000000 0.0000000 0.9604571), wk = 0.0029326 k( 326) = ( 0.0156250 0.0095269 0.9604571), wk = 0.0029326 k( 327) = ( 0.0312500 0.0190538 0.9604571), wk = 0.0029326 k( 328) = ( 0.0468750 0.0285807 0.9604571), wk = 0.0029326 k( 329) = ( 0.0625000 0.0381076 0.9604571), wk = 0.0029326 k( 330) = ( 0.0781250 0.0476344 0.9604571), wk = 0.0029326 k( 331) = ( 0.0937500 0.0571613 0.9604571), wk = 0.0029326 k( 332) = ( 0.1093750 0.0666882 0.9604571), wk = 0.0029326 k( 333) = ( 0.1250000 0.0762151 0.9604571), wk = 0.0029326 k( 334) = ( 0.1406250 0.0857420 0.9604571), wk = 0.0029326 k( 335) = ( 0.1562500 0.0952689 0.9604571), wk = 0.0029326 k( 336) = ( 0.1718750 0.1047958 0.9604571), wk = 0.0029326 k( 337) = ( 0.1875000 0.1143227 0.9604571), wk = 0.0029326 k( 338) = ( 0.2031250 0.1238495 0.9604571), wk = 0.0029326 k( 339) = ( 0.2187500 0.1333764 0.9604571), wk = 0.0029326 k( 340) = ( 0.2343750 0.1429033 0.9604571), wk = 0.0029326 k( 341) = ( 0.2500000 0.1524302 0.9604571), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0029326 k( 3) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0029326 k( 4) = ( 0.0000000 0.0000000 0.0288461), wk = 0.0029326 k( 5) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0029326 k( 6) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0029326 k( 7) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0029326 k( 8) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0029326 k( 9) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0029326 k( 10) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0029326 k( 11) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0029326 k( 12) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0029326 k( 13) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0029326 k( 14) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029326 k( 15) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0029326 k( 16) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0029326 k( 17) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0029326 k( 18) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0029326 k( 19) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0029326 k( 20) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0029326 k( 21) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0029326 k( 22) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0029326 k( 23) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0029326 k( 24) = ( 0.0000000 0.0000000 0.2211539), wk = 0.0029326 k( 25) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0029326 k( 26) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0029326 k( 27) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 28) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0029326 k( 29) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0029326 k( 30) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0029326 k( 31) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0029326 k( 32) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0029326 k( 33) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0029326 k( 34) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0029326 k( 35) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0029326 k( 36) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0029326 k( 37) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0029326 k( 38) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0029326 k( 39) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0029326 k( 40) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029326 k( 41) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0029326 k( 42) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0029326 k( 43) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0029326 k( 44) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0029326 k( 45) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0029326 k( 46) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0029326 k( 47) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0029326 k( 48) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0029326 k( 49) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0029326 k( 50) = ( 0.0000000 0.0000000 0.4711538), wk = 0.0029326 k( 51) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0029326 k( 52) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0029326 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 55) = ( -0.0092940 0.0092940 0.5000000), wk = 0.0029326 k( 56) = ( -0.0185880 0.0185880 0.5000000), wk = 0.0029326 k( 57) = ( -0.0278820 0.0278820 0.5000000), wk = 0.0029326 k( 58) = ( -0.0371759 0.0371759 0.5000000), wk = 0.0029326 k( 59) = ( -0.0464699 0.0464699 0.5000000), wk = 0.0029326 k( 60) = ( -0.0557639 0.0557639 0.5000000), wk = 0.0029326 k( 61) = ( -0.0650579 0.0650579 0.5000000), wk = 0.0029326 k( 62) = ( -0.0743519 0.0743519 0.5000000), wk = 0.0029326 k( 63) = ( -0.0836459 0.0836459 0.5000000), wk = 0.0029326 k( 64) = ( -0.0929399 0.0929399 0.5000000), wk = 0.0029326 k( 65) = ( -0.0929399 0.0929399 0.5000000), wk = 0.0029326 k( 66) = ( -0.0997242 0.0997242 0.4932157), wk = 0.0029326 k( 67) = ( -0.1065085 0.1065085 0.4864313), wk = 0.0029326 k( 68) = ( -0.1132929 0.1132929 0.4796470), wk = 0.0029326 k( 69) = ( -0.1200772 0.1200772 0.4728627), wk = 0.0029326 k( 70) = ( -0.1268615 0.1268615 0.4660783), wk = 0.0029326 k( 71) = ( -0.1336459 0.1336459 0.4592940), wk = 0.0029326 k( 72) = ( -0.1404302 0.1404302 0.4525096), wk = 0.0029326 k( 73) = ( -0.1472145 0.1472146 0.4457253), wk = 0.0029326 k( 74) = ( -0.1539989 0.1539989 0.4389410), wk = 0.0029326 k( 75) = ( -0.1607832 0.1607832 0.4321566), wk = 0.0029326 k( 76) = ( -0.1675676 0.1675676 0.4253723), wk = 0.0029326 k( 77) = ( -0.1743519 0.1743519 0.4185880), wk = 0.0029326 k( 78) = ( -0.1811362 0.1811362 0.4118036), wk = 0.0029326 k( 79) = ( -0.1879206 0.1879206 0.4050193), wk = 0.0029326 k( 80) = ( -0.1947049 0.1947049 0.3982350), wk = 0.0029326 k( 81) = ( -0.2014892 0.2014892 0.3914506), wk = 0.0029326 k( 82) = ( -0.2082736 0.2082736 0.3846663), wk = 0.0029326 k( 83) = ( -0.2150579 0.2150579 0.3778820), wk = 0.0029326 k( 84) = ( -0.2218422 0.2218422 0.3710976), wk = 0.0029326 k( 85) = ( -0.2286266 0.2286266 0.3643133), wk = 0.0029326 k( 86) = ( -0.2354109 0.2354109 0.3575289), wk = 0.0029326 k( 87) = ( -0.2421953 0.2421953 0.3507446), wk = 0.0029326 k( 88) = ( -0.2489796 0.2489796 0.3439603), wk = 0.0029326 k( 89) = ( -0.2557639 0.2557639 0.3371760), wk = 0.0029326 k( 90) = ( -0.2625483 0.2625483 0.3303916), wk = 0.0029326 k( 91) = ( -0.2693326 0.2693326 0.3236073), wk = 0.0029326 k( 92) = ( -0.2761169 0.2761169 0.3168229), wk = 0.0029326 k( 93) = ( -0.2829013 0.2829013 0.3100386), wk = 0.0029326 k( 94) = ( -0.2896856 0.2896856 0.3032543), wk = 0.0029326 k( 95) = ( -0.2964699 0.2964699 0.2964699), wk = 0.0029326 k( 96) = ( -0.2964699 0.2964699 0.2964699), wk = 0.0029326 k( 97) = ( -0.2897320 0.2897320 0.2897320), wk = 0.0029326 k( 98) = ( -0.2829940 0.2829940 0.2829940), wk = 0.0029326 k( 99) = ( -0.2762561 0.2762561 0.2762561), wk = 0.0029326 k( 100) = ( -0.2695181 0.2695181 0.2695181), wk = 0.0029326 k( 101) = ( -0.2627802 0.2627802 0.2627802), wk = 0.0029326 k( 102) = ( -0.2560422 0.2560422 0.2560422), wk = 0.0029326 k( 103) = ( -0.2493043 0.2493043 0.2493043), wk = 0.0029326 k( 104) = ( -0.2425663 0.2425663 0.2425663), wk = 0.0029326 k( 105) = ( -0.2358284 0.2358284 0.2358284), wk = 0.0029326 k( 106) = ( -0.2290904 0.2290904 0.2290904), wk = 0.0029326 k( 107) = ( -0.2223525 0.2223525 0.2223524), wk = 0.0029326 k( 108) = ( -0.2156145 0.2156145 0.2156145), wk = 0.0029326 k( 109) = ( -0.2088765 0.2088765 0.2088765), wk = 0.0029326 k( 110) = ( -0.2021386 0.2021386 0.2021386), wk = 0.0029326 k( 111) = ( -0.1954006 0.1954006 0.1954006), wk = 0.0029326 k( 112) = ( -0.1886627 0.1886627 0.1886627), wk = 0.0029326 k( 113) = ( -0.1819247 0.1819247 0.1819247), wk = 0.0029326 k( 114) = ( -0.1751868 0.1751868 0.1751868), wk = 0.0029326 k( 115) = ( -0.1684488 0.1684488 0.1684488), wk = 0.0029326 k( 116) = ( -0.1617109 0.1617109 0.1617109), wk = 0.0029326 k( 117) = ( -0.1549729 0.1549729 0.1549729), wk = 0.0029326 k( 118) = ( -0.1482350 0.1482350 0.1482350), wk = 0.0029326 k( 119) = ( -0.1414970 0.1414970 0.1414970), wk = 0.0029326 k( 120) = ( -0.1347591 0.1347591 0.1347591), wk = 0.0029326 k( 121) = ( -0.1280211 0.1280211 0.1280211), wk = 0.0029326 k( 122) = ( -0.1212832 0.1212832 0.1212831), wk = 0.0029326 k( 123) = ( -0.1145452 0.1145452 0.1145452), wk = 0.0029326 k( 124) = ( -0.1078072 0.1078073 0.1078072), wk = 0.0029326 k( 125) = ( -0.1010693 0.1010693 0.1010693), wk = 0.0029326 k( 126) = ( -0.0943313 0.0943313 0.0943313), wk = 0.0029326 k( 127) = ( -0.0875934 0.0875934 0.0875934), wk = 0.0029326 k( 128) = ( -0.0808554 0.0808554 0.0808554), wk = 0.0029326 k( 129) = ( -0.0741175 0.0741175 0.0741175), wk = 0.0029326 k( 130) = ( -0.0673795 0.0673795 0.0673795), wk = 0.0029326 k( 131) = ( -0.0606416 0.0606416 0.0606416), wk = 0.0029326 k( 132) = ( -0.0539036 0.0539036 0.0539036), wk = 0.0029326 k( 133) = ( -0.0471657 0.0471657 0.0471657), wk = 0.0029326 k( 134) = ( -0.0404277 0.0404277 0.0404277), wk = 0.0029326 k( 135) = ( -0.0336898 0.0336898 0.0336898), wk = 0.0029326 k( 136) = ( -0.0269518 0.0269518 0.0269518), wk = 0.0029326 k( 137) = ( -0.0202139 0.0202139 0.0202139), wk = 0.0029326 k( 138) = ( -0.0134759 0.0134759 0.0134759), wk = 0.0029326 k( 139) = ( -0.0067380 0.0067380 0.0067379), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 142) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0029326 k( 143) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0029326 k( 144) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0029326 k( 145) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0029326 k( 146) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0029326 k( 147) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0029326 k( 148) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0029326 k( 149) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0029326 k( 150) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0029326 k( 151) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0029326 k( 152) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0029326 k( 153) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0029326 k( 154) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0029326 k( 155) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0029326 k( 156) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0029326 k( 157) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029326 k( 158) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0029326 k( 159) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0029326 k( 160) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0029326 k( 161) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0029326 k( 162) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0029326 k( 163) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0029326 k( 164) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0029326 k( 165) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0029326 k( 166) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0029326 k( 167) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0029326 k( 168) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0029326 k( 169) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0029326 k( 170) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0029326 k( 171) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0029326 k( 172) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0029326 k( 173) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 k( 175) = ( 0.4932157 0.5067843 -0.4932157), wk = 0.0029326 k( 176) = ( 0.4864313 0.5135687 -0.4864313), wk = 0.0029326 k( 177) = ( 0.4796470 0.5203530 -0.4796470), wk = 0.0029326 k( 178) = ( 0.4728627 0.5271373 -0.4728627), wk = 0.0029326 k( 179) = ( 0.4660783 0.5339217 -0.4660783), wk = 0.0029326 k( 180) = ( 0.4592940 0.5407060 -0.4592940), wk = 0.0029326 k( 181) = ( 0.4525096 0.5474904 -0.4525096), wk = 0.0029326 k( 182) = ( 0.4457253 0.5542747 -0.4457253), wk = 0.0029326 k( 183) = ( 0.4389410 0.5610590 -0.4389410), wk = 0.0029326 k( 184) = ( 0.4321566 0.5678434 -0.4321566), wk = 0.0029326 k( 185) = ( 0.4253723 0.5746277 -0.4253723), wk = 0.0029326 k( 186) = ( 0.4185880 0.5814120 -0.4185880), wk = 0.0029326 k( 187) = ( 0.4118036 0.5881964 -0.4118036), wk = 0.0029326 k( 188) = ( 0.4050193 0.5949807 -0.4050193), wk = 0.0029326 k( 189) = ( 0.3982350 0.6017650 -0.3982350), wk = 0.0029326 k( 190) = ( 0.3914506 0.6085494 -0.3914506), wk = 0.0029326 k( 191) = ( 0.3846663 0.6153337 -0.3846663), wk = 0.0029326 k( 192) = ( 0.3778820 0.6221180 -0.3778820), wk = 0.0029326 k( 193) = ( 0.3710976 0.6289024 -0.3710976), wk = 0.0029326 k( 194) = ( 0.3643133 0.6356867 -0.3643133), wk = 0.0029326 k( 195) = ( 0.3575290 0.6424711 -0.3575290), wk = 0.0029326 k( 196) = ( 0.3507446 0.6492554 -0.3507446), wk = 0.0029326 k( 197) = ( 0.3439603 0.6560397 -0.3439603), wk = 0.0029326 k( 198) = ( 0.3371760 0.6628240 -0.3371759), wk = 0.0029326 k( 199) = ( 0.3303916 0.6696084 -0.3303916), wk = 0.0029326 k( 200) = ( 0.3236073 0.6763927 -0.3236073), wk = 0.0029326 k( 201) = ( 0.3168229 0.6831771 -0.3168229), wk = 0.0029326 k( 202) = ( 0.3100386 0.6899614 -0.3100386), wk = 0.0029326 k( 203) = ( 0.3032543 0.6967457 -0.3032543), wk = 0.0029326 k( 204) = ( 0.2964699 0.7035301 -0.2964699), wk = 0.0029326 k( 205) = ( 0.2964699 0.7035301 -0.2964699), wk = 0.0029326 k( 206) = ( 0.2799994 0.6922228 -0.2799994), wk = 0.0029326 k( 207) = ( 0.2635288 0.6809156 -0.2635288), wk = 0.0029326 k( 208) = ( 0.2470583 0.6696084 -0.2470583), wk = 0.0029326 k( 209) = ( 0.2305877 0.6583012 -0.2305877), wk = 0.0029326 k( 210) = ( 0.2141172 0.6469939 -0.2141172), wk = 0.0029326 k( 211) = ( 0.1976466 0.6356867 -0.1976466), wk = 0.0029326 k( 212) = ( 0.1811761 0.6243795 -0.1811761), wk = 0.0029326 k( 213) = ( 0.1647055 0.6130723 -0.1647055), wk = 0.0029326 k( 214) = ( 0.1482350 0.6017650 -0.1482350), wk = 0.0029326 k( 215) = ( 0.1317644 0.5904578 -0.1317644), wk = 0.0029326 k( 216) = ( 0.1152939 0.5791506 -0.1152939), wk = 0.0029326 k( 217) = ( 0.0988233 0.5678434 -0.0988233), wk = 0.0029326 k( 218) = ( 0.0823528 0.5565361 -0.0823528), wk = 0.0029326 k( 219) = ( 0.0658822 0.5452289 -0.0658822), wk = 0.0029326 k( 220) = ( 0.0494117 0.5339217 -0.0494117), wk = 0.0029326 k( 221) = ( 0.0329411 0.5226144 -0.0329411), wk = 0.0029326 k( 222) = ( 0.0164706 0.5113072 -0.0164705), wk = 0.0029326 k( 223) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 224) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 225) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0029326 k( 226) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0029326 k( 227) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0029326 k( 228) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0029326 k( 229) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0029326 k( 230) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0029326 k( 231) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0029326 k( 232) = ( 0.0540540 0.4459459 0.0540540), wk = 0.0029326 k( 233) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0029326 k( 234) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0029326 k( 235) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0029326 k( 236) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0029326 k( 237) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0029326 k( 238) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0029326 k( 239) = ( 0.1013514 0.3986486 0.1013514), wk = 0.0029326 k( 240) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0029326 k( 241) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0029326 k( 242) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0029326 k( 243) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0029326 k( 244) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0029326 k( 245) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0029326 k( 246) = ( 0.1486486 0.3513514 0.1486486), wk = 0.0029326 k( 247) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0029326 k( 248) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0029326 k( 249) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0029326 k( 250) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0029326 k( 251) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0029326 k( 252) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0029326 k( 253) = ( 0.1959460 0.3040541 0.1959459), wk = 0.0029326 k( 254) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0029326 k( 255) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0029326 k( 256) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0029326 k( 257) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0029326 k( 258) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0029326 k( 259) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0029326 k( 260) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0029326 k( 261) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 k( 262) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 k( 263) = ( 0.2631579 0.2631579 0.2319505), wk = 0.0029326 k( 264) = ( 0.2763158 0.2763158 0.2139011), wk = 0.0029326 k( 265) = ( 0.2894737 0.2894737 0.1958516), wk = 0.0029326 k( 266) = ( 0.3026316 0.3026316 0.1778021), wk = 0.0029326 k( 267) = ( 0.3157895 0.3157895 0.1597527), wk = 0.0029326 k( 268) = ( 0.3289474 0.3289474 0.1417032), wk = 0.0029326 k( 269) = ( 0.3421053 0.3421053 0.1236537), wk = 0.0029326 k( 270) = ( 0.3552632 0.3552632 0.1056043), wk = 0.0029326 k( 271) = ( 0.3684211 0.3684211 0.0875548), wk = 0.0029326 k( 272) = ( 0.3815789 0.3815789 0.0695053), wk = 0.0029326 k( 273) = ( 0.3947368 0.3947368 0.0514559), wk = 0.0029326 k( 274) = ( 0.4078947 0.4078947 0.0334064), wk = 0.0029326 k( 275) = ( 0.4210526 0.4210526 0.0153569), wk = 0.0029326 k( 276) = ( 0.4342105 0.4342105 -0.0026925), wk = 0.0029326 k( 277) = ( 0.4473684 0.4473684 -0.0207420), wk = 0.0029326 k( 278) = ( 0.4605263 0.4605263 -0.0387915), wk = 0.0029326 k( 279) = ( 0.4736842 0.4736842 -0.0568409), wk = 0.0029326 k( 280) = ( 0.4868421 0.4868421 -0.0748904), wk = 0.0029326 k( 281) = ( 0.5000000 0.5000000 -0.0929399), wk = 0.0029326 k( 282) = ( 0.5000000 0.5000000 -0.0929399), wk = 0.0029326 k( 283) = ( 0.5000000 0.5000000 -0.1026318), wk = 0.0029326 k( 284) = ( 0.5000000 0.5000000 -0.1123237), wk = 0.0029326 k( 285) = ( 0.5000000 0.5000000 -0.1220156), wk = 0.0029326 k( 286) = ( 0.5000000 0.5000000 -0.1317075), wk = 0.0029326 k( 287) = ( 0.5000000 0.5000000 -0.1413994), wk = 0.0029326 k( 288) = ( 0.5000000 0.5000000 -0.1510913), wk = 0.0029326 k( 289) = ( 0.5000000 0.5000000 -0.1607832), wk = 0.0029326 k( 290) = ( 0.5000000 0.5000000 -0.1704751), wk = 0.0029326 k( 291) = ( 0.5000000 0.5000000 -0.1801670), wk = 0.0029326 k( 292) = ( 0.5000000 0.5000000 -0.1898589), wk = 0.0029326 k( 293) = ( 0.5000000 0.5000000 -0.1995509), wk = 0.0029326 k( 294) = ( 0.5000000 0.5000000 -0.2092428), wk = 0.0029326 k( 295) = ( 0.5000000 0.5000000 -0.2189347), wk = 0.0029326 k( 296) = ( 0.5000000 0.5000000 -0.2286266), wk = 0.0029326 k( 297) = ( 0.5000000 0.5000000 -0.2383185), wk = 0.0029326 k( 298) = ( 0.5000000 0.5000000 -0.2480104), wk = 0.0029326 k( 299) = ( 0.5000000 0.5000000 -0.2577023), wk = 0.0029326 k( 300) = ( 0.5000000 0.5000000 -0.2673942), wk = 0.0029326 k( 301) = ( 0.5000000 0.5000000 -0.2770861), wk = 0.0029326 k( 302) = ( 0.5000000 0.5000000 -0.2867780), wk = 0.0029326 k( 303) = ( 0.5000000 0.5000000 -0.2964699), wk = 0.0029326 k( 304) = ( 0.5000000 0.5000000 -0.3061618), wk = 0.0029326 k( 305) = ( 0.5000000 0.5000000 -0.3158537), wk = 0.0029326 k( 306) = ( 0.5000000 0.5000000 -0.3255457), wk = 0.0029326 k( 307) = ( 0.5000000 0.5000000 -0.3352376), wk = 0.0029326 k( 308) = ( 0.5000000 0.5000000 -0.3449295), wk = 0.0029326 k( 309) = ( 0.5000000 0.5000000 -0.3546214), wk = 0.0029326 k( 310) = ( 0.5000000 0.5000000 -0.3643133), wk = 0.0029326 k( 311) = ( 0.5000000 0.5000000 -0.3740052), wk = 0.0029326 k( 312) = ( 0.5000000 0.5000000 -0.3836971), wk = 0.0029326 k( 313) = ( 0.5000000 0.5000000 -0.3933890), wk = 0.0029326 k( 314) = ( 0.5000000 0.5000000 -0.4030809), wk = 0.0029326 k( 315) = ( 0.5000000 0.5000000 -0.4127728), wk = 0.0029326 k( 316) = ( 0.5000000 0.5000000 -0.4224647), wk = 0.0029326 k( 317) = ( 0.5000000 0.5000000 -0.4321566), wk = 0.0029326 k( 318) = ( 0.5000000 0.5000000 -0.4418485), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 -0.4515405), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 -0.4612324), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 -0.4709243), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 -0.4806162), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 -0.4903081), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 k( 325) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 326) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0029326 k( 327) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0029326 k( 328) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0029326 k( 329) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029326 k( 330) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0029326 k( 331) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0029326 k( 332) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0029326 k( 333) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029326 k( 334) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0029326 k( 335) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0029326 k( 336) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0029326 k( 337) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029326 k( 338) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0029326 k( 339) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0029326 k( 340) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0029326 k( 341) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 Dense grid: 93083 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 26649 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 190, 48) NL pseudopotentials 0.25 Mb ( 95, 170) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.02 Mb ( 2586) G-vector shells 0.01 Mb ( 1198) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 190, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) The potential is recalculated from file : ./CaxSiAux2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.5 secs Computing kpt #: 9 total cpu time spent up to now is 10.4 secs Computing kpt #: 10 total cpu time spent up to now is 11.3 secs Computing kpt #: 11 total cpu time spent up to now is 12.3 secs Computing kpt #: 12 total cpu time spent up to now is 13.2 secs Computing kpt #: 13 total cpu time spent up to now is 14.2 secs Computing kpt #: 14 total cpu time spent up to now is 15.1 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 17.0 secs Computing kpt #: 17 total cpu time spent up to now is 18.0 secs Computing kpt #: 18 total cpu time spent up to now is 19.0 secs Computing kpt #: 19 total cpu time spent up to now is 20.0 secs Computing kpt #: 20 total cpu time spent up to now is 21.0 secs Computing kpt #: 21 total cpu time spent up to now is 22.2 secs Computing kpt #: 22 total cpu time spent up to now is 23.4 secs Computing kpt #: 23 total cpu time spent up to now is 24.5 secs Computing kpt #: 24 total cpu time spent up to now is 25.9 secs Computing kpt #: 25 total cpu time spent up to now is 27.0 secs Computing kpt #: 26 total cpu time spent up to now is 28.0 secs Computing kpt #: 27 total cpu time spent up to now is 28.9 secs Computing kpt #: 28 total cpu time spent up to now is 29.9 secs Computing kpt #: 29 total cpu time spent up to now is 30.8 secs Computing kpt #: 30 total cpu time spent up to now is 31.7 secs Computing kpt #: 31 total cpu time spent up to now is 32.7 secs Computing kpt #: 32 total cpu time spent up to now is 33.5 secs Computing kpt #: 33 total cpu time spent up to now is 34.3 secs Computing kpt #: 34 total cpu time spent up to now is 35.1 secs Computing kpt #: 35 total cpu time spent up to now is 35.9 secs Computing kpt #: 36 total cpu time spent up to now is 36.7 secs Computing kpt #: 37 total cpu time spent up to now is 37.5 secs Computing kpt #: 38 total cpu time spent up to now is 38.3 secs Computing kpt #: 39 total cpu time spent up to now is 39.1 secs Computing kpt #: 40 total cpu time spent up to now is 39.9 secs Computing kpt #: 41 total cpu time spent up to now is 40.7 secs Computing kpt #: 42 total cpu time spent up to now is 41.5 secs Computing kpt #: 43 total cpu time spent up to now is 42.3 secs Computing kpt #: 44 total cpu time spent up to now is 43.1 secs Computing kpt #: 45 total cpu time spent up to now is 43.9 secs Computing kpt #: 46 total cpu time spent up to now is 44.7 secs Computing kpt #: 47 total cpu time spent up to now is 45.5 secs Computing kpt #: 48 total cpu time spent up to now is 46.2 secs Computing kpt #: 49 total cpu time spent up to now is 47.0 secs Computing kpt #: 50 total cpu time spent up to now is 47.7 secs Computing kpt #: 51 total cpu time spent up to now is 48.5 secs Computing kpt #: 52 total cpu time spent up to now is 49.2 secs Computing kpt #: 53 total cpu time spent up to now is 49.9 secs Computing kpt #: 54 total cpu time spent up to now is 50.7 secs Computing kpt #: 55 total cpu time spent up to now is 51.5 secs Computing kpt #: 56 total cpu time spent up to now is 52.2 secs Computing kpt #: 57 total cpu time spent up to now is 53.0 secs Computing kpt #: 58 total cpu time spent up to now is 53.8 secs Computing kpt #: 59 total cpu time spent up to now is 54.6 secs Computing kpt #: 60 total cpu time spent up to now is 55.5 secs Computing kpt #: 61 total cpu time spent up to now is 56.4 secs Computing kpt #: 62 total cpu time spent up to now is 57.3 secs Computing kpt #: 63 total cpu time spent up to now is 58.3 secs Computing kpt #: 64 total cpu time spent up to now is 59.2 secs Computing kpt #: 65 total cpu time spent up to now is 60.2 secs Computing kpt #: 66 total cpu time spent up to now is 61.1 secs Computing kpt #: 67 total cpu time spent up to now is 62.1 secs Computing kpt #: 68 total cpu time spent up to now is 63.1 secs Computing kpt #: 69 total cpu time spent up to now is 64.2 secs Computing kpt #: 70 total cpu time spent up to now is 65.2 secs Computing kpt #: 71 total cpu time spent up to now is 66.1 secs Computing kpt #: 72 total cpu time spent up to now is 67.1 secs Computing kpt #: 73 total cpu time spent up to now is 68.1 secs Computing kpt #: 74 total cpu time spent up to now is 69.0 secs Computing kpt #: 75 total cpu time spent up to now is 70.0 secs Computing kpt #: 76 total cpu time spent up to now is 71.0 secs Computing kpt #: 77 total cpu time spent up to now is 71.9 secs Computing kpt #: 78 total cpu time spent up to now is 72.9 secs Computing kpt #: 79 total cpu time spent up to now is 73.8 secs Computing kpt #: 80 total cpu time spent up to now is 74.7 secs Computing kpt #: 81 total cpu time spent up to now is 75.7 secs Computing kpt #: 82 total cpu time spent up to now is 76.5 secs Computing kpt #: 83 total cpu time spent up to now is 77.5 secs Computing kpt #: 84 total cpu time spent up to now is 78.4 secs Computing kpt #: 85 total cpu time spent up to now is 79.3 secs Computing kpt #: 86 total cpu time spent up to now is 80.2 secs Computing kpt #: 87 total cpu time spent up to now is 81.2 secs Computing kpt #: 88 total cpu time spent up to now is 82.2 secs Computing kpt #: 89 total cpu time spent up to now is 83.2 secs Computing kpt #: 90 total cpu time spent up to now is 84.2 secs Computing kpt #: 91 total cpu time spent up to now is 85.2 secs Computing kpt #: 92 total cpu time spent up to now is 86.2 secs Computing kpt #: 93 total cpu time spent up to now is 87.2 secs Computing kpt #: 94 total cpu time spent up to now is 88.1 secs Computing kpt #: 95 total cpu time spent up to now is 89.1 secs Computing kpt #: 96 total cpu time spent up to now is 90.1 secs Computing kpt #: 97 total cpu time spent up to now is 91.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.4 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.0 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 97.6 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.2 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.9 secs Computing kpt #: 104 total cpu time spent up to now is 102.5 secs Computing kpt #: 105 total cpu time spent up to now is 104.0 secs Computing kpt #: 106 total cpu time spent up to now is 105.4 secs Computing kpt #: 107 total cpu time spent up to now is 106.7 secs Computing kpt #: 108 total cpu time spent up to now is 108.1 secs Computing kpt #: 109 total cpu time spent up to now is 109.3 secs Computing kpt #: 110 total cpu time spent up to now is 110.7 secs Computing kpt #: 111 total cpu time spent up to now is 112.2 secs Computing kpt #: 112 total cpu time spent up to now is 113.6 secs Computing kpt #: 113 total cpu time spent up to now is 114.9 secs Computing kpt #: 114 total cpu time spent up to now is 116.2 secs Computing kpt #: 115 total cpu time spent up to now is 117.4 secs Computing kpt #: 116 total cpu time spent up to now is 118.4 secs Computing kpt #: 117 total cpu time spent up to now is 119.4 secs Computing kpt #: 118 total cpu time spent up to now is 120.7 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.2 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.9 secs Computing kpt #: 121 total cpu time spent up to now is 125.5 secs Computing kpt #: 122 total cpu time spent up to now is 126.8 secs Computing kpt #: 123 total cpu time spent up to now is 128.0 secs Computing kpt #: 124 total cpu time spent up to now is 129.1 secs Computing kpt #: 125 total cpu time spent up to now is 130.2 secs Computing kpt #: 126 total cpu time spent up to now is 131.2 secs Computing kpt #: 127 total cpu time spent up to now is 132.4 secs Computing kpt #: 128 total cpu time spent up to now is 133.5 secs Computing kpt #: 129 total cpu time spent up to now is 134.8 secs Computing kpt #: 130 total cpu time spent up to now is 136.4 secs Computing kpt #: 131 total cpu time spent up to now is 137.9 secs Computing kpt #: 132 total cpu time spent up to now is 139.1 secs Computing kpt #: 133 total cpu time spent up to now is 140.1 secs Computing kpt #: 134 total cpu time spent up to now is 141.0 secs Computing kpt #: 135 total cpu time spent up to now is 142.0 secs Computing kpt #: 136 total cpu time spent up to now is 142.8 secs Computing kpt #: 137 total cpu time spent up to now is 143.6 secs Computing kpt #: 138 total cpu time spent up to now is 144.4 secs Computing kpt #: 139 total cpu time spent up to now is 145.1 secs Computing kpt #: 140 total cpu time spent up to now is 145.7 secs Computing kpt #: 141 total cpu time spent up to now is 146.5 secs Computing kpt #: 142 total cpu time spent up to now is 147.1 secs Computing kpt #: 143 total cpu time spent up to now is 147.8 secs Computing kpt #: 144 total cpu time spent up to now is 148.6 secs Computing kpt #: 145 total cpu time spent up to now is 149.3 secs Computing kpt #: 146 total cpu time spent up to now is 150.0 secs Computing kpt #: 147 total cpu time spent up to now is 150.7 secs Computing kpt #: 148 total cpu time spent up to now is 151.4 secs Computing kpt #: 149 total cpu time spent up to now is 152.1 secs Computing kpt #: 150 total cpu time spent up to now is 152.8 secs Computing kpt #: 151 total cpu time spent up to now is 153.6 secs Computing kpt #: 152 total cpu time spent up to now is 154.3 secs Computing kpt #: 153 total cpu time spent up to now is 155.1 secs Computing kpt #: 154 total cpu time spent up to now is 155.8 secs Computing kpt #: 155 total cpu time spent up to now is 156.6 secs Computing kpt #: 156 total cpu time spent up to now is 157.4 secs Computing kpt #: 157 total cpu time spent up to now is 158.2 secs Computing kpt #: 158 total cpu time spent up to now is 159.0 secs Computing kpt #: 159 total cpu time spent up to now is 159.8 secs Computing kpt #: 160 total cpu time spent up to now is 160.7 secs Computing kpt #: 161 total cpu time spent up to now is 161.6 secs Computing kpt #: 162 total cpu time spent up to now is 162.5 secs Computing kpt #: 163 total cpu time spent up to now is 163.6 secs Computing kpt #: 164 total cpu time spent up to now is 164.6 secs Computing kpt #: 165 total cpu time spent up to now is 165.4 secs Computing kpt #: 166 total cpu time spent up to now is 166.2 secs Computing kpt #: 167 total cpu time spent up to now is 167.1 secs Computing kpt #: 168 total cpu time spent up to now is 168.0 secs Computing kpt #: 169 total cpu time spent up to now is 168.9 secs Computing kpt #: 170 total cpu time spent up to now is 169.8 secs Computing kpt #: 171 total cpu time spent up to now is 171.0 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.3 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.0 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 177.7 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.5 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.2 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.9 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.6 secs Computing kpt #: 180 total cpu time spent up to now is 185.8 secs Computing kpt #: 181 total cpu time spent up to now is 187.0 secs Computing kpt #: 182 total cpu time spent up to now is 188.5 secs Computing kpt #: 183 total cpu time spent up to now is 190.0 secs Computing kpt #: 184 total cpu time spent up to now is 191.3 secs Computing kpt #: 185 total cpu time spent up to now is 192.5 secs Computing kpt #: 186 total cpu time spent up to now is 193.6 secs Computing kpt #: 187 total cpu time spent up to now is 194.7 secs Computing kpt #: 188 total cpu time spent up to now is 195.8 secs Computing kpt #: 189 total cpu time spent up to now is 196.9 secs Computing kpt #: 190 total cpu time spent up to now is 197.9 secs Computing kpt #: 191 total cpu time spent up to now is 198.9 secs Computing kpt #: 192 total cpu time spent up to now is 199.9 secs Computing kpt #: 193 total cpu time spent up to now is 200.8 secs Computing kpt #: 194 total cpu time spent up to now is 201.8 secs Computing kpt #: 195 total cpu time spent up to now is 202.8 secs Computing kpt #: 196 total cpu time spent up to now is 203.7 secs Computing kpt #: 197 total cpu time spent up to now is 204.8 secs Computing kpt #: 198 total cpu time spent up to now is 205.8 secs Computing kpt #: 199 total cpu time spent up to now is 206.7 secs Computing kpt #: 200 total cpu time spent up to now is 207.6 secs Computing kpt #: 201 total cpu time spent up to now is 208.6 secs Computing kpt #: 202 total cpu time spent up to now is 209.6 secs Computing kpt #: 203 total cpu time spent up to now is 210.6 secs Computing kpt #: 204 total cpu time spent up to now is 211.7 secs Computing kpt #: 205 total cpu time spent up to now is 212.7 secs Computing kpt #: 206 total cpu time spent up to now is 213.6 secs Computing kpt #: 207 total cpu time spent up to now is 214.7 secs Computing kpt #: 208 total cpu time spent up to now is 215.6 secs Computing kpt #: 209 total cpu time spent up to now is 216.4 secs Computing kpt #: 210 total cpu time spent up to now is 217.3 secs Computing kpt #: 211 total cpu time spent up to now is 218.0 secs Computing kpt #: 212 total cpu time spent up to now is 218.7 secs Computing kpt #: 213 total cpu time spent up to now is 219.4 secs Computing kpt #: 214 total cpu time spent up to now is 220.1 secs Computing kpt #: 215 total cpu time spent up to now is 220.8 secs Computing kpt #: 216 total cpu time spent up to now is 221.4 secs Computing kpt #: 217 total cpu time spent up to now is 222.2 secs Computing kpt #: 218 total cpu time spent up to now is 222.9 secs Computing kpt #: 219 total cpu time spent up to now is 223.6 secs Computing kpt #: 220 total cpu time spent up to now is 224.2 secs Computing kpt #: 221 total cpu time spent up to now is 224.8 secs Computing kpt #: 222 total cpu time spent up to now is 225.5 secs Computing kpt #: 223 total cpu time spent up to now is 226.1 secs Computing kpt #: 224 total cpu time spent up to now is 226.7 secs Computing kpt #: 225 total cpu time spent up to now is 227.4 secs Computing kpt #: 226 total cpu time spent up to now is 228.1 secs Computing kpt #: 227 total cpu time spent up to now is 228.9 secs Computing kpt #: 228 total cpu time spent up to now is 229.7 secs Computing kpt #: 229 total cpu time spent up to now is 230.4 secs Computing kpt #: 230 total cpu time spent up to now is 231.2 secs Computing kpt #: 231 total cpu time spent up to now is 232.1 secs Computing kpt #: 232 total cpu time spent up to now is 233.0 secs Computing kpt #: 233 total cpu time spent up to now is 234.1 secs Computing kpt #: 234 total cpu time spent up to now is 235.5 secs Computing kpt #: 235 total cpu time spent up to now is 237.0 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.6 secs Computing kpt #: 237 total cpu time spent up to now is 239.9 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.5 secs Computing kpt #: 239 total cpu time spent up to now is 243.0 secs Computing kpt #: 240 total cpu time spent up to now is 244.1 secs Computing kpt #: 241 total cpu time spent up to now is 245.1 secs Computing kpt #: 242 total cpu time spent up to now is 246.0 secs Computing kpt #: 243 total cpu time spent up to now is 246.8 secs Computing kpt #: 244 total cpu time spent up to now is 247.7 secs Computing kpt #: 245 total cpu time spent up to now is 248.7 secs Computing kpt #: 246 total cpu time spent up to now is 249.6 secs Computing kpt #: 247 total cpu time spent up to now is 250.4 secs Computing kpt #: 248 total cpu time spent up to now is 253.9 secs Computing kpt #: 249 total cpu time spent up to now is 254.8 secs Computing kpt #: 250 total cpu time spent up to now is 255.6 secs Computing kpt #: 251 total cpu time spent up to now is 256.4 secs Computing kpt #: 252 total cpu time spent up to now is 257.4 secs Computing kpt #: 253 total cpu time spent up to now is 258.4 secs Computing kpt #: 254 total cpu time spent up to now is 259.4 secs Computing kpt #: 255 total cpu time spent up to now is 260.6 secs Computing kpt #: 256 total cpu time spent up to now is 261.8 secs Computing kpt #: 257 total cpu time spent up to now is 263.2 secs Computing kpt #: 258 total cpu time spent up to now is 264.5 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.1 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.8 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.4 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.0 secs Computing kpt #: 263 total cpu time spent up to now is 272.4 secs Computing kpt #: 264 total cpu time spent up to now is 273.5 secs Computing kpt #: 265 total cpu time spent up to now is 274.4 secs Computing kpt #: 266 total cpu time spent up to now is 275.3 secs Computing kpt #: 267 total cpu time spent up to now is 276.2 secs Computing kpt #: 268 total cpu time spent up to now is 277.1 secs Computing kpt #: 269 total cpu time spent up to now is 277.9 secs Computing kpt #: 270 total cpu time spent up to now is 278.7 secs Computing kpt #: 271 total cpu time spent up to now is 279.5 secs Computing kpt #: 272 total cpu time spent up to now is 280.3 secs Computing kpt #: 273 total cpu time spent up to now is 281.2 secs Computing kpt #: 274 total cpu time spent up to now is 282.1 secs Computing kpt #: 275 total cpu time spent up to now is 283.0 secs Computing kpt #: 276 total cpu time spent up to now is 283.9 secs Computing kpt #: 277 total cpu time spent up to now is 284.9 secs Computing kpt #: 278 total cpu time spent up to now is 285.8 secs Computing kpt #: 279 total cpu time spent up to now is 286.8 secs Computing kpt #: 280 total cpu time spent up to now is 287.7 secs Computing kpt #: 281 total cpu time spent up to now is 288.7 secs Computing kpt #: 282 total cpu time spent up to now is 289.6 secs Computing kpt #: 283 total cpu time spent up to now is 290.5 secs Computing kpt #: 284 total cpu time spent up to now is 291.5 secs Computing kpt #: 285 total cpu time spent up to now is 292.5 secs Computing kpt #: 286 total cpu time spent up to now is 294.1 secs Computing kpt #: 287 total cpu time spent up to now is 295.0 secs Computing kpt #: 288 total cpu time spent up to now is 295.9 secs Computing kpt #: 289 total cpu time spent up to now is 296.8 secs Computing kpt #: 290 total cpu time spent up to now is 297.7 secs Computing kpt #: 291 total cpu time spent up to now is 298.7 secs Computing kpt #: 292 total cpu time spent up to now is 299.6 secs Computing kpt #: 293 total cpu time spent up to now is 300.6 secs Computing kpt #: 294 total cpu time spent up to now is 301.5 secs Computing kpt #: 295 total cpu time spent up to now is 302.6 secs Computing kpt #: 296 total cpu time spent up to now is 303.6 secs Computing kpt #: 297 total cpu time spent up to now is 304.5 secs Computing kpt #: 298 total cpu time spent up to now is 305.4 secs Computing kpt #: 299 total cpu time spent up to now is 306.2 secs Computing kpt #: 300 total cpu time spent up to now is 307.1 secs Computing kpt #: 301 total cpu time spent up to now is 307.9 secs Computing kpt #: 302 total cpu time spent up to now is 308.7 secs Computing kpt #: 303 total cpu time spent up to now is 309.5 secs Computing kpt #: 304 total cpu time spent up to now is 310.3 secs Computing kpt #: 305 total cpu time spent up to now is 311.1 secs Computing kpt #: 306 total cpu time spent up to now is 311.9 secs Computing kpt #: 307 total cpu time spent up to now is 312.7 secs Computing kpt #: 308 total cpu time spent up to now is 313.5 secs Computing kpt #: 309 total cpu time spent up to now is 314.3 secs Computing kpt #: 310 total cpu time spent up to now is 315.1 secs Computing kpt #: 311 total cpu time spent up to now is 315.9 secs Computing kpt #: 312 total cpu time spent up to now is 316.8 secs Computing kpt #: 313 total cpu time spent up to now is 317.6 secs Computing kpt #: 314 total cpu time spent up to now is 318.5 secs Computing kpt #: 315 total cpu time spent up to now is 319.4 secs Computing kpt #: 316 total cpu time spent up to now is 320.4 secs Computing kpt #: 317 total cpu time spent up to now is 321.5 secs Computing kpt #: 318 total cpu time spent up to now is 322.8 secs Computing kpt #: 319 total cpu time spent up to now is 324.0 secs Computing kpt #: 320 total cpu time spent up to now is 325.5 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.2 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.9 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.6 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 332.3 secs Computing kpt #: 325 total cpu time spent up to now is 333.0 secs Computing kpt #: 326 total cpu time spent up to now is 333.8 secs Computing kpt #: 327 total cpu time spent up to now is 334.6 secs Computing kpt #: 328 total cpu time spent up to now is 335.3 secs Computing kpt #: 329 total cpu time spent up to now is 336.1 secs Computing kpt #: 330 total cpu time spent up to now is 336.9 secs Computing kpt #: 331 total cpu time spent up to now is 337.7 secs Computing kpt #: 332 total cpu time spent up to now is 338.5 secs Computing kpt #: 333 total cpu time spent up to now is 339.4 secs Computing kpt #: 334 total cpu time spent up to now is 340.2 secs Computing kpt #: 335 total cpu time spent up to now is 341.0 secs Computing kpt #: 336 total cpu time spent up to now is 341.9 secs Computing kpt #: 337 total cpu time spent up to now is 342.8 secs Computing kpt #: 338 total cpu time spent up to now is 343.7 secs Computing kpt #: 339 total cpu time spent up to now is 344.6 secs Computing kpt #: 340 total cpu time spent up to now is 345.9 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 347.6 secs ethr = 2.50E-08, avg # of iterations = 52.5 total cpu time spent up to now is 347.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -29.3433 -29.3433 -10.6179 -10.6179 -10.2539 -10.2539 -10.2248 -10.2248 -0.1009 -0.1009 2.0969 2.0969 4.2885 4.2885 4.4674 4.4674 4.4819 4.4819 5.0495 5.0495 6.1324 6.1324 6.4300 6.4300 6.9517 6.9517 7.1092 7.1092 7.4087 7.4087 8.1940 8.1940 8.8627 8.8627 9.1468 9.1468 9.8070 9.8070 12.1039 12.1039 12.3925 12.3925 13.3620 13.3620 13.3706 13.3706 14.8765 14.8765 k = 0.0000 0.0000 0.0185 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6179 -10.6179 -10.2539 -10.2539 -10.2248 -10.2248 -0.0993 -0.0993 2.0977 2.0977 4.2886 4.2886 4.4646 4.4646 4.4860 4.4860 5.0496 5.0496 6.1310 6.1310 6.4280 6.4280 6.9512 6.9512 7.1042 7.1042 7.4155 7.4155 8.1877 8.1877 8.8628 8.8628 9.1463 9.1463 9.8010 9.8010 12.1177 12.1177 12.3839 12.3839 13.3545 13.3545 13.3785 13.3785 14.8839 14.8839 k = 0.0000 0.0000 0.0369 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6180 -10.6180 -10.2539 -10.2539 -10.2249 -10.2249 -0.0945 -0.0945 2.1001 2.1001 4.2889 4.2889 4.4599 4.4599 4.4945 4.4945 5.0498 5.0498 6.1268 6.1268 6.4221 6.4221 6.9496 6.9496 7.0903 7.0903 7.4346 7.4346 8.1692 8.1692 8.8629 8.8629 9.1450 9.1450 9.7835 9.7835 12.1584 12.1584 12.3590 12.3590 13.3262 13.3262 13.4079 13.4079 14.9049 14.9049 k = 0.0000 0.0000 0.0554 ( 3321 PWs) bands (ev): -29.3433 -29.3433 -10.6180 -10.6180 -10.2540 -10.2540 -10.2250 -10.2250 -0.0865 -0.0865 2.1040 2.1040 4.2893 4.2893 4.4560 4.4560 4.5047 4.5047 5.0503 5.0503 6.1197 6.1197 6.4129 6.4129 6.9470 6.9470 7.0701 7.0701 7.4628 7.4628 8.1394 8.1394 8.8630 8.8630 9.1430 9.1430 9.7560 9.7560 12.2231 12.2231 12.3215 12.3215 13.2809 13.2809 13.4546 13.4546 14.9357 14.9357 k = 0.0000 0.0000 0.0739 ( 3321 PWs) bands (ev): -29.3433 -29.3433 -10.6181 -10.6181 -10.2540 -10.2540 -10.2252 -10.2252 -0.0754 -0.0754 2.1095 2.1095 4.2895 4.2895 4.4537 4.4537 4.5161 4.5161 5.0510 5.0510 6.1094 6.1094 6.4010 6.4010 6.9431 6.9431 7.0457 7.0457 7.4965 7.4965 8.0999 8.0999 8.8627 8.8627 9.1403 9.1403 9.7204 9.7204 12.2629 12.2629 12.3206 12.3206 13.2222 13.2222 13.5151 13.5151 14.9714 14.9714 k = 0.0000 0.0000 0.0924 ( 3323 PWs) bands (ev): -29.3433 -29.3433 -10.6183 -10.6183 -10.2541 -10.2541 -10.2255 -10.2255 -0.0611 -0.0611 2.1165 2.1165 4.2891 4.2891 4.4534 4.4534 4.5286 4.5286 5.0520 5.0520 6.0958 6.0958 6.3874 6.3874 6.9377 6.9377 7.0188 7.0188 7.5322 7.5322 8.0535 8.0535 8.8619 8.8619 9.1370 9.1370 9.6789 9.6789 12.2093 12.2093 12.4246 12.4246 13.1533 13.1533 13.5866 13.5866 15.0073 15.0073 k = 0.0000 0.0000 0.1108 ( 3319 PWs) bands (ev): -29.3432 -29.3432 -10.6184 -10.6184 -10.2542 -10.2542 -10.2258 -10.2258 -0.0436 -0.0436 2.1251 2.1251 4.2878 4.2878 4.4554 4.4554 4.5420 4.5420 5.0533 5.0533 6.0788 6.0788 6.3728 6.3728 6.9299 6.9299 6.9908 6.9908 7.5655 7.5655 8.0046 8.0046 8.8602 8.8602 9.1332 9.1332 9.6334 9.6334 12.1465 12.1465 12.5480 12.5480 13.0777 13.0777 13.6666 13.6666 15.0403 15.0403 k = 0.0000 0.0000 0.1293 ( 3319 PWs) bands (ev): -29.3432 -29.3432 -10.6186 -10.6186 -10.2543 -10.2543 -10.2261 -10.2261 -0.0231 -0.0231 2.1352 2.1352 4.2853 4.2853 4.4598 4.4598 4.5563 4.5563 5.0550 5.0550 6.0584 6.0584 6.3579 6.3579 6.9176 6.9176 6.9640 6.9640 7.5897 7.5897 7.9606 7.9606 8.8576 8.8576 9.1291 9.1291 9.5853 9.5853 12.0794 12.0794 12.6827 12.6827 13.0001 13.0001 13.7533 13.7533 15.0689 15.0689 k = 0.0000 0.0000 0.1478 ( 3303 PWs) bands (ev): -29.3432 -29.3432 -10.6188 -10.6188 -10.2544 -10.2544 -10.2265 -10.2265 0.0005 0.0005 2.1467 2.1467 4.2814 4.2814 4.4667 4.4667 4.5714 4.5714 5.0573 5.0573 6.0347 6.0347 6.3430 6.3430 6.8961 6.8961 6.9429 6.9429 7.5946 7.5946 7.9325 7.9325 8.8539 8.8539 9.1246 9.1246 9.5360 9.5360 12.0094 12.0094 12.8057 12.8057 12.9423 12.9423 13.8453 13.8453 15.0932 15.0932 k = 0.0000 0.0000 0.1662 ( 3311 PWs) bands (ev): -29.3431 -29.3431 -10.6190 -10.6190 -10.2546 -10.2546 -10.2270 -10.2270 0.0272 0.0272 2.1597 2.1597 4.2759 4.2759 4.4761 4.4761 4.5874 4.5874 5.0601 5.0601 6.0083 6.0083 6.3282 6.3282 6.8640 6.8640 6.9286 6.9286 7.5721 7.5721 7.9300 7.9300 8.8489 8.8489 9.1199 9.1199 9.4863 9.4863 11.9376 11.9376 12.7930 12.7930 13.0279 13.0279 13.9418 13.9418 15.1141 15.1141 k = 0.0000 0.0000 0.1847 ( 3311 PWs) bands (ev): -29.3431 -29.3431 -10.6193 -10.6193 -10.2547 -10.2547 -10.2275 -10.2275 0.0568 0.0568 2.1741 2.1741 4.2688 4.2688 4.4878 4.4878 4.6041 4.6041 5.0635 5.0635 5.9796 5.9796 6.3130 6.3130 6.8249 6.8249 6.9172 6.9172 7.5252 7.5252 7.9514 7.9514 8.8424 8.8424 9.1148 9.1148 9.4369 9.4369 11.8646 11.8646 12.7128 12.7128 13.1877 13.1877 14.0418 14.0418 15.1323 15.1323 k = 0.0000 0.0000 0.2032 ( 3313 PWs) bands (ev): -29.3430 -29.3430 -10.6196 -10.6196 -10.2549 -10.2549 -10.2281 -10.2281 0.0893 0.0893 2.1899 2.1899 4.2602 4.2602 4.5016 4.5016 4.6214 4.6214 5.0675 5.0675 5.9494 5.9494 6.2970 6.2970 6.7808 6.7808 6.9065 6.9065 7.4643 7.4643 7.9879 7.9879 8.8345 8.8345 9.1092 9.1092 9.3885 9.3885 11.7907 11.7907 12.6254 12.6254 13.3605 13.3605 14.1449 14.1449 15.1484 15.1484 k = 0.0000 0.0000 0.2216 ( 3319 PWs) bands (ev): -29.3430 -29.3430 -10.6199 -10.6199 -10.2551 -10.2551 -10.2287 -10.2287 0.1247 0.1247 2.2070 2.2070 4.2500 4.2500 4.5171 4.5171 4.6394 4.6394 5.0723 5.0723 5.9184 5.9184 6.2789 6.2789 6.7327 6.7327 6.8956 6.8956 7.3984 7.3984 8.0320 8.0320 8.8251 8.8251 9.1029 9.1029 9.3420 9.3420 11.7164 11.7164 12.5367 12.5367 13.5398 13.5398 14.2506 14.2506 15.1627 15.1627 k = 0.0000 0.0000 0.2401 ( 3317 PWs) bands (ev): -29.3429 -29.3429 -10.6202 -10.6202 -10.2553 -10.2553 -10.2293 -10.2293 0.1629 0.1629 2.2254 2.2254 4.2384 4.2384 4.5340 4.5340 4.6580 4.6580 5.0778 5.0778 5.8871 5.8871 6.2574 6.2574 6.6817 6.6817 6.8844 6.8844 7.3328 7.3328 8.0789 8.0789 8.8142 8.8142 9.0954 9.0954 9.2985 9.2985 11.6417 11.6417 12.4480 12.4480 13.7231 13.7231 14.3586 14.3586 15.1753 15.1753 k = 0.0000 0.0000 0.2586 ( 3317 PWs) bands (ev): -29.3429 -29.3429 -10.6205 -10.6205 -10.2555 -10.2555 -10.2300 -10.2300 0.2039 0.2039 2.2449 2.2449 4.2254 4.2254 4.5519 4.5519 4.6770 4.6770 5.0839 5.0839 5.8561 5.8561 6.2306 6.2306 6.6294 6.6294 6.8727 6.8727 7.2709 7.2709 8.1258 8.1258 8.8015 8.8015 9.0860 9.0860 9.2593 9.2593 11.5670 11.5670 12.3597 12.3597 13.9090 13.9090 14.4684 14.4684 15.1856 15.1856 k = 0.0000 0.0000 0.2771 ( 3321 PWs) bands (ev): -29.3428 -29.3428 -10.6209 -10.6209 -10.2557 -10.2557 -10.2307 -10.2307 0.2475 0.2475 2.2657 2.2657 4.2111 4.2111 4.5706 4.5706 4.6963 4.6963 5.0906 5.0906 5.8261 5.8261 6.1963 6.1963 6.5785 6.5785 6.8604 6.8604 7.2143 7.2143 8.1703 8.1703 8.7872 8.7872 9.0741 9.0741 9.2264 9.2264 11.4923 11.4923 12.2723 12.2723 14.0957 14.0957 14.5800 14.5800 15.1934 15.1934 k = 0.0000 0.0000 0.2955 ( 3311 PWs) bands (ev): -29.3427 -29.3427 -10.6213 -10.6213 -10.2559 -10.2559 -10.2314 -10.2314 0.2936 0.2936 2.2875 2.2875 4.1955 4.1955 4.5895 4.5895 4.7160 4.7160 5.0979 5.0979 5.7974 5.7974 6.1525 6.1525 6.5320 6.5320 6.8478 6.8478 7.1639 7.1639 8.2103 8.2103 8.7711 8.7711 9.0594 9.0594 9.2014 9.2014 11.4176 11.4176 12.1858 12.1858 14.2816 14.2816 14.6934 14.6934 15.1987 15.1987 k = 0.0000 0.0000 0.3140 ( 3303 PWs) bands (ev): -29.3427 -29.3427 -10.6216 -10.6216 -10.2561 -10.2561 -10.2321 -10.2321 0.3422 0.3422 2.3103 2.3103 4.1788 4.1788 4.6084 4.6084 4.7358 4.7358 5.1053 5.1053 5.7703 5.7703 6.0985 6.0985 6.4920 6.4920 6.8348 6.8348 7.1197 7.1197 8.2435 8.2435 8.7530 8.7530 9.0432 9.0432 9.1849 9.1849 11.3431 11.3431 12.1002 12.1002 14.4642 14.4642 14.8088 14.8088 15.2019 15.2019 k = 0.0000 0.0000 0.3325 ( 3299 PWs) bands (ev): -29.3426 -29.3426 -10.6220 -10.6220 -10.2564 -10.2564 -10.2329 -10.2329 0.3932 0.3932 2.3341 2.3341 4.1609 4.1609 4.6266 4.6266 4.7556 4.7556 5.1126 5.1126 5.7447 5.7447 6.0356 6.0356 6.4591 6.4591 6.8215 6.8215 7.0813 7.0813 8.2677 8.2677 8.7328 8.7328 9.0282 9.0282 9.1763 9.1763 11.2687 11.2687 12.0152 12.0152 14.6405 14.6405 14.9270 14.9270 15.2035 15.2035 k = 0.0000 0.0000 0.3509 ( 3303 PWs) bands (ev): -29.3425 -29.3425 -10.6225 -10.6225 -10.2566 -10.2566 -10.2337 -10.2337 0.4465 0.4465 2.3587 2.3587 4.1421 4.1421 4.6438 4.6438 4.7755 4.7755 5.1193 5.1193 5.7205 5.7205 5.9674 5.9674 6.4326 6.4326 6.8083 6.8083 7.0484 7.0484 8.2806 8.2806 8.7104 8.7104 9.0171 9.0171 9.1748 9.1748 11.1946 11.1946 11.9308 11.9308 14.8051 14.8051 15.0495 15.0495 15.2020 15.2020 k = 0.0000 0.0000 0.3694 ( 3303 PWs) bands (ev): -29.3425 -29.3425 -10.6229 -10.6229 -10.2569 -10.2569 -10.2346 -10.2346 0.5019 0.5019 2.3841 2.3841 4.1222 4.1222 4.6592 4.6592 4.7954 4.7954 5.1244 5.1244 5.6962 5.6962 5.8989 5.8989 6.4110 6.4110 6.7953 6.7953 7.0202 7.0202 8.2811 8.2811 8.6860 8.6860 9.0112 9.0112 9.1804 9.1804 11.1206 11.1206 11.8466 11.8466 14.9498 14.9498 15.1695 15.1695 15.1982 15.1982 k = 0.0000 0.0000 0.3879 ( 3301 PWs) bands (ev): -29.3424 -29.3424 -10.6233 -10.6233 -10.2571 -10.2571 -10.2354 -10.2354 0.5594 0.5594 2.4102 2.4102 4.1015 4.1015 4.6723 4.6723 4.8154 4.8154 5.1268 5.1268 5.6693 5.6693 5.8368 5.8368 6.3928 6.3928 6.7828 6.7828 6.9962 6.9962 8.2686 8.2686 8.6598 8.6598 9.0100 9.0100 9.1935 9.1935 11.0470 11.0470 11.7623 11.7623 15.0500 15.0500 15.1615 15.1615 15.2859 15.2859 k = 0.0000 0.0000 0.4063 ( 3305 PWs) bands (ev): -29.3423 -29.3423 -10.6238 -10.6238 -10.2574 -10.2574 -10.2363 -10.2363 0.6187 0.6187 2.4368 2.4368 4.0800 4.0800 4.6822 4.6822 4.8356 4.8356 5.1248 5.1248 5.6363 5.6363 5.7889 5.7889 6.3771 6.3771 6.7711 6.7711 6.9759 6.9759 8.2440 8.2440 8.6323 8.6323 9.0114 9.0114 9.2149 9.2149 10.9736 10.9736 11.6774 11.6774 15.0241 15.0241 15.2000 15.2000 15.3174 15.3174 k = 0.0000 0.0000 0.4248 ( 3305 PWs) bands (ev): -29.3422 -29.3422 -10.6242 -10.6242 -10.2576 -10.2576 -10.2371 -10.2371 0.6798 0.6798 2.4638 2.4638 4.0578 4.0578 4.6882 4.6882 4.8559 4.8559 5.1161 5.1161 5.5973 5.5973 5.7589 5.7589 6.3632 6.3632 6.7604 6.7604 6.9589 6.9589 8.2088 8.2088 8.6037 8.6037 9.0136 9.0136 9.2451 9.2451 10.9005 10.9005 11.5918 11.5918 14.9388 14.9388 15.2449 15.2449 15.3671 15.3671 k = 0.0000 0.0000 0.4433 ( 3315 PWs) bands (ev): -29.3422 -29.3422 -10.6247 -10.6247 -10.2579 -10.2579 -10.2380 -10.2380 0.7425 0.7425 2.4912 2.4912 4.0351 4.0351 4.6893 4.6893 4.8766 4.8766 5.0989 5.0989 5.5593 5.5593 5.7438 5.7438 6.3508 6.3508 6.7510 6.7510 6.9447 6.9447 8.1649 8.1649 8.5742 8.5742 9.0150 9.0150 9.2834 9.2834 10.8277 10.8277 11.5048 11.5048 14.8465 14.8465 15.2723 15.2723 15.4032 15.4032 k = 0.0000 0.0000 0.4618 ( 3306 PWs) bands (ev): -29.3421 -29.3421 -10.6251 -10.6251 -10.2581 -10.2581 -10.2388 -10.2388 0.8066 0.8066 2.5188 2.5188 4.0118 4.0118 4.6842 4.6842 4.8976 4.8976 5.0724 5.0724 5.5294 5.5294 5.7386 5.7386 6.3397 6.3397 6.7430 6.7430 6.9332 6.9332 8.1141 8.1141 8.5440 8.5440 9.0151 9.0151 9.3286 9.3286 10.7552 10.7552 11.4162 11.4162 14.7572 14.7572 15.2925 15.2925 15.4229 15.4229 k = 0.0000 0.0000 0.4802 ( 3302 PWs) bands (ev): -29.3420 -29.3420 -10.6256 -10.6256 -10.2584 -10.2584 -10.2397 -10.2397 0.8720 0.8720 2.5464 2.5464 3.9882 3.9882 4.6713 4.6713 4.9188 4.9188 5.0390 5.0390 5.5106 5.5106 5.7400 5.7400 6.3299 6.3299 6.7367 6.7367 6.9238 6.9238 8.0580 8.0580 8.5131 8.5131 9.0140 9.0140 9.3792 9.3792 10.6832 10.6832 11.3256 11.3256 14.6746 14.6746 15.3075 15.3075 15.4379 15.4379 k = 0.0000 0.0000 0.4987 ( 3310 PWs) bands (ev): -29.3419 -29.3419 -10.6260 -10.6260 -10.2587 -10.2587 -10.2406 -10.2406 0.9385 0.9385 2.5740 2.5740 3.9643 3.9643 4.6489 4.6489 4.9397 4.9397 5.0037 5.0037 5.5021 5.5021 5.7459 5.7459 6.3216 6.3216 6.7321 6.7321 6.9166 6.9166 7.9979 7.9979 8.4818 8.4818 9.0118 9.0118 9.4338 9.4338 10.6115 10.6115 11.2328 11.2328 14.6003 14.6003 15.3144 15.3144 15.4509 15.4509 k = 0.0000 0.0000 0.5172 ( 3316 PWs) bands (ev): -29.3418 -29.3418 -10.6265 -10.6265 -10.2589 -10.2589 -10.2414 -10.2414 1.0058 1.0058 2.6015 2.6015 3.9402 3.9402 4.6155 4.6155 4.9552 4.9552 4.9769 4.9769 5.5013 5.5013 5.7553 5.7553 6.3152 6.3152 6.7295 6.7295 6.9112 6.9112 7.9348 7.9348 8.4502 8.4502 9.0087 9.0087 9.4915 9.4915 10.5402 10.5402 11.1377 11.1377 14.5354 14.5354 15.3076 15.3076 15.4627 15.4627 k = 0.0000 0.0000 0.5356 ( 3320 PWs) bands (ev): -29.3418 -29.3418 -10.6270 -10.6270 -10.2592 -10.2592 -10.2423 -10.2423 1.0739 1.0739 2.6285 2.6285 3.9161 3.9161 4.5709 4.5709 4.9391 4.9391 4.9882 4.9882 5.5055 5.5055 5.7669 5.7669 6.3108 6.3108 6.7288 6.7288 6.9075 6.9075 7.8696 7.8696 8.4185 8.4185 9.0051 9.0051 9.5512 9.5512 10.4694 10.4694 11.0401 11.0401 14.4807 14.4807 15.2801 15.2801 15.4743 15.4743 k = 0.0000 0.0000 0.5541 ( 3316 PWs) bands (ev): -29.3417 -29.3417 -10.6274 -10.6274 -10.2594 -10.2594 -10.2431 -10.2431 1.1423 1.1423 2.6552 2.6552 3.8920 3.8920 4.5168 4.5168 4.9207 4.9207 5.0095 5.0095 5.5127 5.5127 5.7800 5.7800 6.3088 6.3088 6.7302 6.7302 6.9054 6.9054 7.8029 7.8029 8.3869 8.3869 9.0009 9.0009 9.6122 9.6122 10.3991 10.3991 10.9403 10.9403 14.4363 14.4363 15.2291 15.2291 15.4864 15.4864 k = 0.0000 0.0000 0.5726 ( 3324 PWs) bands (ev): -29.3416 -29.3416 -10.6278 -10.6278 -10.2597 -10.2597 -10.2439 -10.2439 1.2110 1.2110 2.6812 2.6812 3.8680 3.8680 4.4558 4.4558 4.9084 4.9084 5.0316 5.0316 5.5211 5.5211 5.7936 5.7936 6.3095 6.3095 6.7338 6.7338 6.9047 6.9047 7.7354 7.7354 8.3557 8.3557 8.9964 8.9964 9.6740 9.6740 10.3294 10.3294 10.8383 10.8383 14.4023 14.4023 15.1575 15.1575 15.4991 15.4991 k = 0.0000 0.0000 0.5911 ( 3324 PWs) bands (ev): -29.3415 -29.3415 -10.6283 -10.6283 -10.2599 -10.2599 -10.2447 -10.2447 1.2797 1.2797 2.7065 2.7065 3.8442 3.8442 4.3908 4.3908 4.9016 4.9016 5.0539 5.0539 5.5298 5.5298 5.8070 5.8070 6.3132 6.3132 6.7395 6.7395 6.9051 6.9051 7.6675 7.6675 8.3253 8.3253 8.9917 8.9917 9.7358 9.7358 10.2604 10.2604 10.7347 10.7347 14.3789 14.3789 15.0717 15.0717 15.5119 15.5119 k = 0.0000 0.0000 0.6095 ( 3324 PWs) bands (ev): -29.3415 -29.3415 -10.6287 -10.6287 -10.2601 -10.2601 -10.2454 -10.2454 1.3481 1.3481 2.7310 2.7310 3.8208 3.8208 4.3239 4.3239 4.8995 4.8995 5.0763 5.0763 5.5378 5.5378 5.8193 5.8193 6.3198 6.3198 6.7476 6.7476 6.9067 6.9067 7.5998 7.5998 8.2960 8.2960 8.9869 8.9869 9.7970 9.7970 10.1922 10.1922 10.6300 10.6300 14.3657 14.3657 14.9777 14.9777 15.5246 15.5246 k = 0.0000 0.0000 0.6280 ( 3322 PWs) bands (ev): -29.3414 -29.3414 -10.6290 -10.6290 -10.2603 -10.2603 -10.2462 -10.2462 1.4159 1.4159 2.7545 2.7545 3.7977 3.7977 4.2568 4.2568 4.9013 4.9013 5.0986 5.0986 5.5448 5.5448 5.8301 5.8301 6.3295 6.3295 6.7578 6.7578 6.9090 6.9090 7.5329 7.5329 8.2682 8.2682 8.9820 8.9820 9.8564 9.8564 10.1252 10.1252 10.5250 10.5250 14.3625 14.3625 14.8793 14.8793 15.5368 15.5368 k = 0.0000 0.0000 0.6465 ( 3326 PWs) bands (ev): -29.3413 -29.3413 -10.6294 -10.6294 -10.2605 -10.2605 -10.2469 -10.2469 1.4828 1.4828 2.7770 2.7770 3.7752 3.7752 4.1905 4.1905 4.9066 4.9066 5.1208 5.1208 5.5504 5.5504 5.8387 5.8387 6.3419 6.3419 6.7703 6.7703 6.9119 6.9119 7.4671 7.4671 8.2424 8.2424 8.9771 8.9771 9.9109 9.9109 10.0613 10.0613 10.4213 10.4213 14.3689 14.3689 14.7793 14.7793 15.5483 15.5483 k = 0.0000 0.0000 0.6649 ( 3322 PWs) bands (ev): -29.3413 -29.3413 -10.6298 -10.6298 -10.2607 -10.2607 -10.2476 -10.2476 1.5486 1.5486 2.7983 2.7983 3.7532 3.7532 4.1261 4.1261 4.9150 4.9150 5.1430 5.1430 5.5545 5.5545 5.8448 5.8448 6.3566 6.3566 6.7850 6.7850 6.9149 6.9149 7.4033 7.4033 8.2191 8.2191 8.9723 8.9723 9.9419 9.9419 10.0163 10.0163 10.3220 10.3220 14.3845 14.3845 14.6795 14.6795 15.5591 15.5591 k = 0.0000 0.0000 0.6834 ( 3326 PWs) bands (ev): -29.3412 -29.3412 -10.6302 -10.6302 -10.2609 -10.2609 -10.2482 -10.2482 1.6129 1.6129 2.8184 2.8184 3.7320 3.7320 4.0640 4.0640 4.9265 4.9265 5.1649 5.1649 5.5571 5.5571 5.8481 5.8481 6.3732 6.3732 6.8015 6.8015 6.9175 6.9175 7.3422 7.3422 8.1988 8.1988 8.9675 8.9675 9.9024 9.9024 10.0282 10.0282 10.2364 10.2364 14.4088 14.4088 14.5810 14.5810 15.5691 15.5691 k = 0.0000 0.0000 0.7019 ( 3330 PWs) bands (ev): -29.3411 -29.3411 -10.6305 -10.6305 -10.2610 -10.2610 -10.2488 -10.2488 1.6754 1.6754 2.8372 2.8372 3.7114 3.7114 4.0047 4.0047 4.9408 4.9408 5.1867 5.1867 5.5581 5.5581 5.8487 5.8487 6.3910 6.3910 6.8198 6.8198 6.9191 6.9191 7.2846 7.2846 8.1820 8.1820 8.9629 8.9629 9.8369 9.8369 10.0224 10.0224 10.1952 10.1952 14.4411 14.4411 14.4852 14.4852 15.5782 15.5782 k = 0.0000 0.0000 0.7203 ( 3330 PWs) bands (ev): -29.3411 -29.3411 -10.6308 -10.6308 -10.2612 -10.2612 -10.2494 -10.2494 1.7358 1.7358 2.8546 2.8546 3.6917 3.6917 3.9486 3.9486 4.9579 4.9579 5.2082 5.2082 5.5577 5.5577 5.8464 5.8464 6.4094 6.4094 6.8395 6.8395 6.9184 6.9184 7.2321 7.2321 8.1693 8.1693 8.9585 8.9585 9.7649 9.7649 9.9628 9.9628 10.2152 10.2152 14.3911 14.3911 14.4823 14.4823 15.5863 15.5863 k = 0.0000 0.0000 0.7388 ( 3338 PWs) bands (ev): -29.3410 -29.3410 -10.6311 -10.6311 -10.2614 -10.2614 -10.2500 -10.2500 1.7937 1.7937 2.8707 2.8707 3.6730 3.6730 3.8959 3.8959 4.9774 4.9774 5.2294 5.2294 5.5561 5.5561 5.8412 5.8412 6.4277 6.4277 6.8600 6.8600 6.9143 6.9143 7.1861 7.1861 8.1614 8.1614 8.9542 8.9542 9.6872 9.6872 9.8868 9.8868 10.2585 10.2585 14.3017 14.3017 14.5299 14.5299 15.5934 15.5934 k = 0.0000 0.0000 0.7573 ( 3346 PWs) bands (ev): -29.3410 -29.3410 -10.6314 -10.6314 -10.2615 -10.2615 -10.2505 -10.2505 1.8488 1.8488 2.8855 2.8855 3.6552 3.6552 3.8468 3.8468 4.9994 4.9994 5.2501 5.2501 5.5535 5.5535 5.8332 5.8332 6.4454 6.4454 6.8794 6.8794 6.9064 6.9064 7.1487 7.1487 8.1587 8.1587 8.9501 8.9501 9.6034 9.6034 9.8137 9.8137 10.3068 10.3068 14.2165 14.2165 14.5843 14.5843 15.5993 15.5993 k = 0.0000 0.0000 0.7758 ( 3346 PWs) bands (ev): -29.3409 -29.3409 -10.6317 -10.6317 -10.2617 -10.2617 -10.2510 -10.2510 1.9006 1.9006 2.8988 2.8988 3.6386 3.6386 3.8015 3.8015 5.0235 5.0235 5.2701 5.2701 5.5501 5.5501 5.8224 5.8224 6.4621 6.4621 6.8814 6.8814 6.9096 6.9096 7.1211 7.1211 8.1618 8.1618 8.9463 8.9463 9.5142 9.5142 9.7481 9.7481 10.3552 10.3552 14.1360 14.1360 14.6449 14.6449 15.6039 15.6039 k = 0.0000 0.0000 0.7942 ( 3338 PWs) bands (ev): -29.3409 -29.3409 -10.6319 -10.6319 -10.2617 -10.2617 -10.2514 -10.2514 1.9489 1.9489 2.9109 2.9109 3.6231 3.6231 3.7601 3.7601 5.0495 5.0495 5.2892 5.2892 5.5463 5.5463 5.8091 5.8091 6.4773 6.4773 6.8606 6.8606 6.9291 6.9291 7.1031 7.1031 8.1710 8.1710 8.9426 8.9426 9.4214 9.4214 9.6902 9.6902 10.4019 10.4019 14.0608 14.0608 14.7112 14.7112 15.6070 15.6070 k = 0.0000 0.0000 0.8127 ( 3330 PWs) bands (ev): -29.3408 -29.3408 -10.6321 -10.6321 -10.2618 -10.2618 -10.2517 -10.2517 1.9933 1.9933 2.9215 2.9215 3.6089 3.6089 3.7228 3.7228 5.0770 5.0770 5.3069 5.3069 5.5425 5.5425 5.7933 5.7933 6.4910 6.4910 6.8337 6.8337 6.9499 6.9499 7.0927 7.0927 8.1866 8.1866 8.9390 8.9390 9.3275 9.3275 9.6394 9.6394 10.4459 10.4459 13.9916 13.9916 14.7825 14.7825 15.6083 15.6083 k = 0.0000 0.0000 0.8312 ( 3322 PWs) bands (ev): -29.3408 -29.3408 -10.6322 -10.6322 -10.2619 -10.2619 -10.2520 -10.2520 2.0335 2.0335 2.9309 2.9309 3.5961 3.5961 3.6897 3.6897 5.1058 5.1058 5.3224 5.3224 5.5394 5.5394 5.7753 5.7753 6.5029 6.5029 6.8050 6.8050 6.9699 6.9699 7.0873 7.0873 8.2087 8.2087 8.9355 8.9355 9.2342 9.2342 9.5949 9.5949 10.4865 10.4865 13.9288 13.9288 14.8581 14.8581 15.6073 15.6073 k = 0.0000 0.0000 0.8496 ( 3324 PWs) bands (ev): -29.3408 -29.3408 -10.6324 -10.6324 -10.2620 -10.2620 -10.2523 -10.2523 2.0691 2.0691 2.9389 2.9389 3.5848 3.5848 3.6607 3.6607 5.1353 5.1353 5.3350 5.3350 5.5379 5.5379 5.7553 5.7553 6.5130 6.5130 6.7770 6.7770 6.9885 6.9885 7.0849 7.0849 8.2371 8.2371 8.9315 8.9315 9.1435 9.1435 9.5562 9.5562 10.5231 10.5231 13.8729 13.8729 14.9371 14.9371 15.6033 15.6033 k = 0.0000 0.0000 0.8681 ( 3324 PWs) bands (ev): -29.3407 -29.3407 -10.6325 -10.6325 -10.2620 -10.2620 -10.2526 -10.2526 2.0998 2.0998 2.9457 2.9457 3.5750 3.5750 3.6361 3.6361 5.1651 5.1651 5.3433 5.3433 5.5391 5.5391 5.7337 5.7337 6.5214 6.5214 6.7514 6.7514 7.0052 7.0052 7.0842 7.0842 8.2714 8.2714 8.9259 8.9259 9.0581 9.0581 9.5234 9.5234 10.5551 10.5551 13.8246 13.8246 15.0186 15.0186 15.5953 15.5953 k = 0.0000 0.0000 0.8866 ( 3320 PWs) bands (ev): -29.3407 -29.3407 -10.6326 -10.6326 -10.2621 -10.2621 -10.2528 -10.2528 2.1253 2.1253 2.9512 2.9512 3.5669 3.5669 3.6159 3.6159 5.1946 5.1946 5.3464 5.3464 5.5441 5.5441 5.7110 5.7110 6.5281 6.5281 6.7294 6.7294 7.0194 7.0194 7.0842 7.0842 8.3104 8.3104 8.9120 8.9120 8.9861 8.9861 9.4962 9.4962 10.5820 10.5820 13.7842 13.7842 15.1012 15.1012 15.5817 15.5817 k = 0.0000 0.0000 0.9050 ( 3332 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2621 -10.2621 -10.2530 -10.2530 2.1455 2.1455 2.9554 2.9554 3.5605 3.5605 3.6000 3.6000 5.2232 5.2232 5.3435 5.3435 5.5531 5.5531 5.6879 5.6879 6.5332 6.5332 6.7116 6.7116 7.0310 7.0310 7.0844 7.0844 8.3524 8.3524 8.8691 8.8691 8.9503 8.9503 9.4750 9.4750 10.6035 10.6035 13.7523 13.7523 15.1830 15.1830 15.5605 15.5605 k = 0.0000 0.0000 0.9235 ( 3336 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2622 -10.2622 -10.2531 -10.2531 2.1600 2.1600 2.9585 2.9585 3.5559 3.5559 3.5886 3.5886 5.2501 5.2501 5.3350 5.3350 5.5655 5.5655 5.6655 5.6655 6.5367 6.5367 6.6987 6.6987 7.0394 7.0394 7.0847 7.0847 8.3938 8.3938 8.8108 8.8108 8.9410 8.9410 9.4597 9.4597 10.6191 10.6191 13.7292 13.7292 15.2612 15.2612 15.5303 15.5303 k = 0.0000 0.0000 0.9420 ( 3340 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2532 -10.2532 2.1688 2.1688 2.9603 2.9603 3.5531 3.5531 3.5818 3.5818 5.2738 5.2738 5.3223 5.3223 5.5788 5.5788 5.6463 5.6463 6.5388 6.5388 6.6908 6.6908 7.0446 7.0446 7.0849 7.0849 8.4273 8.4273 8.7645 8.7645 8.9380 8.9380 9.4505 9.4505 10.6285 10.6285 13.7153 13.7153 15.3299 15.3299 15.4925 15.4925 k = 0.0000 0.0000 0.9605 ( 3348 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2533 -10.2533 2.1717 2.1717 2.9609 2.9609 3.5522 3.5522 3.5795 3.5795 5.2871 5.2871 5.3126 5.3126 5.5859 5.5859 5.6373 5.6373 6.5395 6.5395 6.6881 6.6881 7.0464 7.0464 7.0850 7.0850 8.4410 8.4410 8.7463 8.7463 8.9372 8.9372 9.4474 9.4474 10.6317 10.6317 13.7106 13.7106 15.3658 15.3658 15.4673 15.4673 k = 0.0000 0.0000 0.9605 ( 3348 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2533 -10.2533 2.1717 2.1717 2.9609 2.9609 3.5522 3.5522 3.5795 3.5795 5.2871 5.2871 5.3126 5.3126 5.5859 5.5859 5.6373 5.6373 6.5395 6.5395 6.6881 6.6881 7.0464 7.0464 7.0850 7.0850 8.4410 8.4410 8.7463 8.7463 8.9372 8.9372 9.4474 9.4474 10.6317 10.6317 13.7106 13.7106 15.3658 15.3658 15.4673 15.4673 k =-0.0093 0.0152 0.9605 ( 3336 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2532 -10.2532 2.1715 2.1715 2.9552 2.9552 3.5537 3.5537 3.5839 3.5839 5.2701 5.2701 5.3262 5.3262 5.5889 5.5889 5.6370 5.6370 6.5410 6.5410 6.6856 6.6856 7.0445 7.0445 7.0850 7.0850 8.4356 8.4356 8.7473 8.7473 8.9412 8.9412 9.4541 9.4541 10.6352 10.6352 13.7109 13.7109 15.3651 15.3651 15.4713 15.4713 k =-0.0186 0.0305 0.9605 ( 3328 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2622 -10.2622 -10.2531 -10.2531 2.1708 2.1708 2.9384 2.9384 3.5585 3.5585 3.5961 3.5961 5.2423 5.2423 5.3441 5.3441 5.5976 5.5976 5.6364 5.6364 6.5454 6.5454 6.6782 6.6782 7.0388 7.0388 7.0848 7.0848 8.4197 8.4197 8.7499 8.7499 8.9540 8.9540 9.4737 9.4737 10.6456 10.6456 13.7118 13.7118 15.3629 15.3629 15.4833 15.4833 k =-0.0279 0.0457 0.9605 ( 3324 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2622 -10.2622 -10.2530 -10.2530 2.1696 2.1696 2.9118 2.9118 3.5672 3.5672 3.6145 3.6145 5.2116 5.2116 5.3589 5.3589 5.6114 5.6114 5.6354 5.6354 6.5527 6.5527 6.6662 6.6662 7.0299 7.0299 7.0843 7.0843 8.3941 8.3941 8.7528 8.7528 8.9769 8.9769 9.5049 9.5049 10.6627 10.6627 13.7134 13.7134 15.3593 15.3593 15.5029 15.5029 k =-0.0372 0.0610 0.9605 ( 3324 PWs) bands (ev): -29.3407 -29.3407 -10.6327 -10.6327 -10.2622 -10.2622 -10.2528 -10.2528 2.1679 2.1679 2.8767 2.8767 3.5802 3.5802 3.6375 3.6375 5.1795 5.1795 5.3700 5.3700 5.6287 5.6287 5.6346 5.6346 6.5630 6.5630 6.6500 6.6500 7.0180 7.0180 7.0833 7.0833 8.3599 8.3599 8.7554 8.7554 9.0110 9.0110 9.5459 9.5459 10.6866 10.6866 13.7156 13.7156 15.3545 15.3545 15.5299 15.5299 k =-0.0465 0.0762 0.9605 ( 3326 PWs) bands (ev): -29.3407 -29.3407 -10.6326 -10.6326 -10.2621 -10.2621 -10.2526 -10.2526 2.1657 2.1657 2.8346 2.8346 3.5973 3.5973 3.6637 3.6637 5.1467 5.1467 5.3776 5.3776 5.6319 5.6319 5.6506 5.6506 6.5761 6.5761 6.6302 6.6302 7.0035 7.0035 7.0818 7.0818 8.3185 8.3185 8.7573 8.7573 9.0563 9.0563 9.5951 9.5951 10.7169 10.7169 13.7184 13.7184 15.3485 15.3485 15.5634 15.5634 k =-0.0558 0.0915 0.9605 ( 3324 PWs) bands (ev): -29.3408 -29.3408 -10.6325 -10.6325 -10.2621 -10.2621 -10.2524 -10.2524 2.1630 2.1630 2.7868 2.7868 3.6184 3.6184 3.6920 3.6920 5.1138 5.1138 5.3823 5.3823 5.6300 5.6300 5.6732 5.6732 6.5911 6.5911 6.6083 6.6083 6.9868 6.9868 7.0798 7.0798 8.2712 8.2712 8.7589 8.7589 9.1122 9.1122 9.6509 9.6509 10.7535 10.7535 13.7218 13.7218 15.3414 15.3414 15.6021 15.6021 k =-0.0651 0.1067 0.9605 ( 3328 PWs) bands (ev): -29.3408 -29.3408 -10.6324 -10.6324 -10.2621 -10.2621 -10.2521 -10.2521 2.1597 2.1597 2.7342 2.7342 3.6435 3.6435 3.7217 3.7217 5.0811 5.0811 5.3843 5.3843 5.6279 5.6279 5.6967 5.6967 6.5803 6.5803 6.6126 6.6126 6.9684 6.9684 7.0773 7.0773 8.2192 8.2192 8.7605 8.7605 9.1779 9.1779 9.7122 9.7122 10.7961 10.7961 13.7259 13.7259 15.3334 15.3334 15.6431 15.6431 k =-0.0744 0.1219 0.9605 ( 3330 PWs) bands (ev): -29.3408 -29.3408 -10.6322 -10.6322 -10.2620 -10.2620 -10.2518 -10.2518 2.1558 2.1558 2.6778 2.6778 3.6723 3.6723 3.7520 3.7520 5.0490 5.0490 5.3839 5.3839 5.6257 5.6257 5.7201 5.7201 6.5535 6.5535 6.6337 6.6337 6.9489 6.9489 7.0744 7.0744 8.1636 8.1636 8.7622 8.7622 9.2523 9.2523 9.7781 9.7781 10.8444 10.8444 13.7305 13.7305 15.3246 15.3246 15.6808 15.6808 k =-0.0836 0.1372 0.9605 ( 3334 PWs) bands (ev): -29.3409 -29.3409 -10.6321 -10.6321 -10.2620 -10.2620 -10.2515 -10.2515 2.1512 2.1512 2.6182 2.6182 3.7047 3.7047 3.7826 3.7826 5.0179 5.0179 5.3813 5.3813 5.6236 5.6236 5.7429 5.7429 6.5252 6.5252 6.6572 6.6572 6.9291 6.9291 7.0711 7.0711 8.1052 8.1052 8.7644 8.7644 9.3346 9.3346 9.8480 9.8480 10.8982 10.8982 13.7358 13.7358 15.3153 15.3153 15.7046 15.7046 k =-0.0929 0.1524 0.9605 ( 3338 PWs) bands (ev): -29.3409 -29.3409 -10.6319 -10.6319 -10.2620 -10.2620 -10.2511 -10.2511 2.1461 2.1461 2.5559 2.5559 3.7405 3.7405 3.8133 3.8133 4.9881 4.9881 5.3764 5.3764 5.6216 5.6216 5.7645 5.7645 6.4963 6.4963 6.6820 6.6820 6.9101 6.9101 7.0676 7.0676 8.0450 8.0450 8.7670 8.7670 9.4241 9.4241 9.9213 9.9213 10.9570 10.9570 13.7416 13.7416 15.3056 15.3056 15.7058 15.7058 k =-0.0929 0.1524 0.9605 ( 3338 PWs) bands (ev): -29.3409 -29.3409 -10.6319 -10.6319 -10.2620 -10.2620 -10.2511 -10.2511 2.1461 2.1461 2.5559 2.5559 3.7405 3.7405 3.8133 3.8133 4.9881 4.9881 5.3764 5.3764 5.6216 5.6216 5.7645 5.7645 6.4963 6.4963 6.6820 6.6820 6.9101 6.9101 7.0676 7.0676 8.0450 8.0450 8.7670 8.7670 9.4241 9.4241 9.9213 9.9213 10.9570 10.9570 13.7416 13.7416 15.3056 15.3056 15.7058 15.7058 k =-0.0997 0.1636 0.9474 ( 3338 PWs) bands (ev): -29.3409 -29.3409 -10.6317 -10.6317 -10.2620 -10.2620 -10.2508 -10.2508 2.1407 2.1407 2.5092 2.5092 3.7689 3.7689 3.8364 3.8364 4.9671 4.9671 5.3699 5.3699 5.6213 5.6213 5.7791 5.7791 6.4758 6.4758 6.6993 6.6993 6.8976 6.8976 7.0638 7.0638 7.9985 7.9985 8.7741 8.7741 9.4940 9.4940 9.9782 9.9782 11.0015 11.0015 13.7486 13.7486 15.2894 15.2894 15.6982 15.6982 k =-0.1065 0.1747 0.9344 ( 3336 PWs) bands (ev): -29.3410 -29.3410 -10.6316 -10.6316 -10.2620 -10.2620 -10.2504 -10.2504 2.1328 2.1328 2.4620 2.4620 3.7992 3.7992 3.8609 3.8609 4.9471 4.9471 5.3596 5.3596 5.6228 5.6228 5.7922 5.7922 6.4568 6.4568 6.7134 6.7134 6.8874 6.8874 7.0575 7.0575 7.9488 7.9488 8.7908 8.7908 9.5685 9.5685 10.0391 10.0391 11.0455 11.0455 13.7605 13.7605 15.2579 15.2579 15.6885 15.6885 k =-0.1133 0.1858 0.9214 ( 3336 PWs) bands (ev): -29.3410 -29.3410 -10.6314 -10.6314 -10.2620 -10.2620 -10.2499 -10.2499 2.1226 2.1226 2.4146 2.4146 3.8309 3.8309 3.8868 3.8868 4.9283 4.9283 5.3465 5.3465 5.6255 5.6255 5.8034 5.8034 6.4391 6.4391 6.7225 6.7225 6.8810 6.8810 7.0486 7.0486 7.8975 7.8975 8.8165 8.8165 9.6472 9.6472 10.1038 10.1038 11.0890 11.0890 13.7773 13.7773 15.2154 15.2154 15.6740 15.6740 k =-0.1201 0.1969 0.9083 ( 3337 PWs) bands (ev): -29.3410 -29.3410 -10.6312 -10.6312 -10.2620 -10.2620 -10.2494 -10.2494 2.1103 2.1103 2.3672 2.3672 3.8637 3.8637 3.9144 3.9144 4.9110 4.9110 5.3314 5.3314 5.6286 5.6286 5.8127 5.8127 6.4225 6.4225 6.7247 6.7247 6.8796 6.8796 7.0369 7.0369 7.8458 7.8458 8.8507 8.8507 9.7301 9.7301 10.1718 10.1718 11.1320 11.1320 13.7989 13.7989 15.1655 15.1655 15.6525 15.6525 k =-0.1269 0.2081 0.8953 ( 3333 PWs) bands (ev): -29.3411 -29.3411 -10.6309 -10.6309 -10.2620 -10.2620 -10.2489 -10.2489 2.0962 2.0962 2.3202 2.3202 3.8970 3.8970 3.9438 3.9438 4.8954 4.8954 5.3150 5.3150 5.6315 5.6315 5.8200 5.8200 6.4069 6.4069 6.7199 6.7199 6.8828 6.8828 7.0225 7.0225 7.7950 7.7950 8.8930 8.8930 9.8168 9.8168 10.2428 10.2428 11.1749 11.1749 13.8252 13.8252 15.1108 15.1108 15.6230 15.6230 k =-0.1336 0.2192 0.8823 ( 3328 PWs) bands (ev): -29.3411 -29.3411 -10.6307 -10.6307 -10.2621 -10.2621 -10.2482 -10.2482 2.0805 2.0805 2.2736 2.2736 3.9300 3.9300 3.9754 3.9754 4.8816 4.8816 5.2978 5.2978 5.6337 5.6337 5.8253 5.8253 6.3921 6.3921 6.7093 6.7093 6.8885 6.8885 7.0057 7.0057 7.7459 7.7459 8.9433 8.9433 9.9070 9.9070 10.3165 10.3165 11.2176 11.2176 13.8561 13.8561 15.0529 15.0529 15.5850 15.5850 k =-0.1404 0.2303 0.8692 ( 3326 PWs) bands (ev): -29.3412 -29.3412 -10.6305 -10.6305 -10.2621 -10.2621 -10.2476 -10.2476 2.0635 2.0635 2.2277 2.2277 3.9625 3.9625 4.0095 4.0095 4.8697 4.8697 5.2803 5.2803 5.6349 5.6349 5.8287 5.8287 6.3779 6.3779 6.6945 6.6945 6.8933 6.8933 6.9877 6.9877 7.6994 7.6994 9.0013 9.0013 10.0003 10.0003 10.3925 10.3925 11.2607 11.2607 13.8913 13.8913 14.9930 14.9930 15.5388 15.5388 k =-0.1472 0.2414 0.8562 ( 3328 PWs) bands (ev): -29.3412 -29.3412 -10.6302 -10.6302 -10.2622 -10.2622 -10.2469 -10.2469 2.0454 2.0454 2.1827 2.1827 3.9941 3.9941 4.0460 4.0460 4.8598 4.8598 5.2628 5.2628 5.6350 5.6350 5.8305 5.8305 6.3641 6.3641 6.6771 6.6771 6.8929 6.8929 6.9708 6.9708 7.6563 7.6563 9.0668 9.0668 10.0962 10.0962 10.4702 10.4702 11.3046 11.3046 13.9307 13.9307 14.9317 14.9317 15.4851 15.4851 k =-0.1540 0.2526 0.8432 ( 3330 PWs) bands (ev): -29.3413 -29.3413 -10.6300 -10.6300 -10.2624 -10.2624 -10.2461 -10.2461 2.0265 2.0265 2.1387 2.1387 4.0252 4.0252 4.0843 4.0843 4.8519 4.8519 5.2454 5.2454 5.6338 5.6338 5.8307 5.8307 6.3506 6.3506 6.6581 6.6581 6.8826 6.8826 6.9587 6.9587 7.6170 7.6170 9.1395 9.1395 10.1939 10.1939 10.5495 10.5495 11.3499 11.3499 13.9739 13.9739 14.8691 14.8691 15.4253 15.4253 k =-0.1608 0.2637 0.8301 ( 3330 PWs) bands (ev): -29.3413 -29.3413 -10.6298 -10.6298 -10.2625 -10.2625 -10.2453 -10.2453 2.0069 2.0069 2.0959 2.0959 4.0559 4.0559 4.1241 4.1241 4.8461 4.8461 5.2283 5.2283 5.6314 5.6314 5.8296 5.8296 6.3372 6.3372 6.6381 6.6381 6.8610 6.8610 6.9519 6.9519 7.5821 7.5821 9.2191 9.2191 10.2926 10.2926 10.6297 10.6297 11.3974 11.3974 14.0207 14.0207 14.8053 14.8053 15.3609 15.3609 k =-0.1676 0.2748 0.8171 ( 3344 PWs) bands (ev): -29.3414 -29.3414 -10.6296 -10.6296 -10.2627 -10.2627 -10.2446 -10.2446 1.9869 1.9869 2.0544 2.0544 4.0865 4.0865 4.1648 4.1648 4.8422 4.8422 5.2114 5.2114 5.6277 5.6277 5.8272 5.8272 6.3238 6.3238 6.6177 6.6177 6.8315 6.8315 6.9470 6.9470 7.5516 7.5516 9.3053 9.3053 10.3911 10.3911 10.7105 10.7105 11.4480 11.4480 14.0708 14.0708 14.7400 14.7400 15.2936 15.2936 k =-0.1744 0.2860 0.8041 ( 3336 PWs) bands (ev): -29.3414 -29.3414 -10.6293 -10.6293 -10.2628 -10.2628 -10.2437 -10.2437 1.9666 1.9666 2.0145 2.0145 4.1171 4.1171 4.2061 4.2061 4.8404 4.8404 5.1949 5.1949 5.6230 5.6230 5.8238 5.8238 6.3102 6.3102 6.5971 6.5971 6.7975 6.7975 6.9408 6.9408 7.5258 7.5258 9.3978 9.3978 10.4882 10.4882 10.7914 10.7914 11.5030 11.5030 14.1237 14.1237 14.6726 14.6726 15.2253 15.2253 k =-0.1811 0.2971 0.7910 ( 3334 PWs) bands (ev): -29.3415 -29.3415 -10.6290 -10.6290 -10.2630 -10.2630 -10.2429 -10.2429 1.9460 1.9460 1.9764 1.9764 4.1478 4.1478 4.2477 4.2477 4.8404 4.8404 5.1786 5.1786 5.6174 5.6174 5.8196 5.8196 6.2963 6.2963 6.5766 6.5766 6.7608 6.7608 6.9320 6.9320 7.5044 7.5044 9.4959 9.4959 10.5824 10.5824 10.8720 10.8720 11.5635 11.5635 14.1792 14.1792 14.6026 14.6026 15.1575 15.1575 k =-0.1879 0.3082 0.7780 ( 3326 PWs) bands (ev): -29.3415 -29.3415 -10.6288 -10.6288 -10.2632 -10.2632 -10.2420 -10.2420 1.9246 1.9246 1.9410 1.9410 4.1786 4.1786 4.2892 4.2892 4.8424 4.8424 5.1625 5.1625 5.6109 5.6109 5.8145 5.8145 6.2820 6.2820 6.5562 6.5562 6.7228 6.7228 6.9201 6.9201 7.4871 7.4871 9.5994 9.5994 10.6719 10.6719 10.9520 10.9520 11.6310 11.6310 14.2365 14.2365 14.5292 14.5292 15.0921 15.0921 k =-0.1947 0.3193 0.7650 ( 3324 PWs) bands (ev): -29.3416 -29.3416 -10.6285 -10.6285 -10.2633 -10.2633 -10.2412 -10.2412 1.8988 1.8988 1.9121 1.9121 4.2095 4.2095 4.3303 4.3303 4.8461 4.8461 5.1466 5.1466 5.6038 5.6038 5.8088 5.8088 6.2672 6.2672 6.5362 6.5362 6.6845 6.6845 6.9052 6.9052 7.4735 7.4735 9.7076 9.7076 10.7550 10.7550 11.0309 11.0309 11.7068 11.7068 14.2943 14.2943 14.4526 14.4526 15.0308 15.0308 k =-0.2015 0.3305 0.7519 ( 3324 PWs) bands (ev): -29.3416 -29.3416 -10.6283 -10.6283 -10.2635 -10.2635 -10.2404 -10.2404 1.8678 1.8678 1.8908 1.8908 4.2405 4.2405 4.3709 4.3709 4.8516 4.8516 5.1307 5.1307 5.5963 5.5963 5.8025 5.8025 6.2517 6.2517 6.5164 6.5164 6.6470 6.6470 6.8876 6.8876 7.4632 7.4632 9.8201 9.8201 10.8303 10.8303 11.1084 11.1084 11.7918 11.7918 14.3375 14.3375 14.3869 14.3869 14.9751 14.9751 k =-0.2083 0.3416 0.7389 ( 3330 PWs) bands (ev): -29.3417 -29.3417 -10.6281 -10.6281 -10.2637 -10.2637 -10.2396 -10.2396 1.8370 1.8370 1.8718 1.8718 4.2714 4.2714 4.4105 4.4105 4.8586 4.8586 5.1147 5.1147 5.5884 5.5884 5.7958 5.7958 6.2355 6.2355 6.4968 6.4968 6.6114 6.6114 6.8678 6.8678 7.4554 7.4554 9.9362 9.9362 10.8969 10.8969 11.1839 11.1839 11.8865 11.8865 14.2731 14.2731 14.4239 14.4239 14.9263 14.9263 k =-0.2151 0.3527 0.7259 ( 3328 PWs) bands (ev): -29.3417 -29.3417 -10.6279 -10.6279 -10.2639 -10.2639 -10.2388 -10.2388 1.8079 1.8079 1.8540 1.8540 4.3022 4.3022 4.4489 4.4489 4.8671 4.8671 5.0988 5.0988 5.5805 5.5805 5.7886 5.7886 6.2184 6.2184 6.4772 6.4772 6.5785 6.5785 6.8464 6.8464 7.4498 7.4498 10.0553 10.0553 10.9547 10.9547 11.2565 11.2565 11.9909 11.9909 14.1822 14.1822 14.4817 14.4817 14.8855 14.8855 k =-0.2218 0.3638 0.7128 ( 3329 PWs) bands (ev): -29.3418 -29.3418 -10.6277 -10.6277 -10.2640 -10.2640 -10.2381 -10.2381 1.7808 1.7808 1.8373 1.8373 4.3326 4.3326 4.4857 4.4857 4.8768 4.8768 5.0829 5.0829 5.5727 5.5727 5.7810 5.7810 6.2005 6.2005 6.4573 6.4573 6.5493 6.5493 6.8240 6.8240 7.4459 7.4459 10.1768 10.1768 11.0039 11.0039 11.3252 11.3252 12.1043 12.1043 14.0862 14.0862 14.5379 14.5379 14.8538 14.8538 k =-0.2286 0.3750 0.6998 ( 3331 PWs) bands (ev): -29.3418 -29.3418 -10.6276 -10.6276 -10.2642 -10.2642 -10.2374 -10.2374 1.7557 1.7557 1.8217 1.8217 4.3627 4.3627 4.5206 4.5206 4.8874 4.8874 5.0671 5.0671 5.5651 5.5651 5.7731 5.7731 6.1819 6.1819 6.4372 6.4372 6.5246 6.5246 6.8010 6.8010 7.4431 7.4431 10.3001 10.3001 11.0455 11.0455 11.3888 11.3888 12.2259 12.2259 13.9874 13.9874 14.5876 14.5876 14.8327 14.8327 k =-0.2354 0.3861 0.6868 ( 3334 PWs) bands (ev): -29.3419 -29.3419 -10.6274 -10.6274 -10.2643 -10.2643 -10.2368 -10.2368 1.7329 1.7329 1.8073 1.8073 4.3921 4.3921 4.5533 4.5533 4.8985 4.8985 5.0518 5.0518 5.5578 5.5578 5.7648 5.7648 6.1628 6.1628 6.4170 6.4170 6.5045 6.5045 6.7781 6.7781 7.4414 7.4414 10.4241 10.4241 11.0804 11.0804 11.4459 11.4459 12.3542 12.3542 13.8876 13.8876 14.6244 14.6244 14.8245 14.8245 k =-0.2422 0.3972 0.6738 ( 3334 PWs) bands (ev): -29.3419 -29.3419 -10.6273 -10.6273 -10.2645 -10.2645 -10.2362 -10.2362 1.7123 1.7123 1.7942 1.7942 4.4206 4.4206 4.5835 4.5835 4.9091 4.9091 5.0375 5.0375 5.5512 5.5512 5.7561 5.7561 6.1436 6.1436 6.3974 6.3974 6.4887 6.4887 6.7558 6.7558 7.4403 7.4403 10.5482 10.5482 11.1095 11.1095 11.4951 11.4951 12.4879 12.4879 13.7891 13.7891 14.6403 14.6403 14.8287 14.8287 k =-0.2490 0.4084 0.6607 ( 3334 PWs) bands (ev): -29.3419 -29.3419 -10.6271 -10.6271 -10.2646 -10.2646 -10.2357 -10.2357 1.6940 1.6940 1.7824 1.7824 4.4479 4.4479 4.6111 4.6111 4.9178 4.9178 5.0255 5.0255 5.5452 5.5452 5.7472 5.7472 6.1250 6.1250 6.3791 6.3791 6.4764 6.4764 6.7345 6.7345 7.4397 7.4397 10.6713 10.6713 11.1337 11.1337 11.5350 11.5350 12.6255 12.6255 13.6943 13.6943 14.6292 14.6292 14.8352 14.8352 k =-0.2558 0.4195 0.6477 ( 3334 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2647 -10.2647 -10.2352 -10.2352 1.6780 1.6780 1.7721 1.7721 4.4735 4.4735 4.6357 4.6357 4.9228 4.9228 5.0176 5.0176 5.5400 5.5400 5.7381 5.7381 6.1074 6.1074 6.3627 6.3627 6.4670 6.4670 6.7147 6.7147 7.4394 7.4394 10.7921 10.7921 11.1537 11.1537 11.5639 11.5639 12.7648 12.7648 13.6062 13.6062 14.5851 14.5851 14.8323 14.8323 k =-0.2625 0.4306 0.6347 ( 3326 PWs) bands (ev): -29.3420 -29.3420 -10.6269 -10.6269 -10.2648 -10.2648 -10.2348 -10.2348 1.6645 1.6645 1.7632 1.7632 4.4970 4.4970 4.6574 4.6574 4.9222 4.9222 5.0151 5.0151 5.5357 5.5357 5.7291 5.7291 6.0916 6.0916 6.3485 6.3485 6.4601 6.4601 6.6969 6.6969 7.4393 7.4393 10.9090 10.9090 11.1702 11.1702 11.5805 11.5805 12.9028 12.9028 13.5289 13.5289 14.5049 14.5049 14.8273 14.8273 k =-0.2693 0.4417 0.6216 ( 3320 PWs) bands (ev): -29.3420 -29.3420 -10.6268 -10.6268 -10.2648 -10.2648 -10.2344 -10.2344 1.6533 1.6533 1.7559 1.7559 4.5178 4.5178 4.6759 4.6759 4.9164 4.9164 5.0176 5.0176 5.5323 5.5323 5.7205 5.7205 6.0780 6.0780 6.3367 6.3367 6.4551 6.4551 6.6816 6.6816 7.4393 7.4393 11.0197 11.0197 11.1841 11.1841 11.5835 11.5835 13.0335 13.0335 13.4690 13.4690 14.3976 14.3976 14.8313 14.8313 k =-0.2761 0.4529 0.6086 ( 3321 PWs) bands (ev): -29.3420 -29.3420 -10.6267 -10.6267 -10.2649 -10.2649 -10.2341 -10.2341 1.6446 1.6446 1.7502 1.7502 4.5350 4.5350 4.6912 4.6912 4.9078 4.9078 5.0228 5.0228 5.5298 5.5298 5.7129 5.7129 6.0671 6.0671 6.3275 6.3275 6.4517 6.4517 6.6691 6.6691 7.4394 7.4394 11.1191 11.1191 11.1985 11.1985 11.5725 11.5725 13.1424 13.1424 13.4405 13.4405 14.2777 14.2777 14.8452 14.8452 k =-0.2829 0.4640 0.5956 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6267 -10.6267 -10.2649 -10.2649 -10.2339 -10.2339 1.6384 1.6384 1.7461 1.7461 4.5480 4.5480 4.7029 4.7029 4.8992 4.8992 5.0282 5.0282 5.5281 5.5281 5.7068 5.7068 6.0592 6.0592 6.3209 6.3209 6.4495 6.4495 6.6599 6.6599 7.4395 7.4395 11.1804 11.1804 11.2365 11.2365 11.5485 11.5485 13.2025 13.2025 13.4665 13.4665 14.1583 14.1583 14.8665 14.8665 k =-0.2897 0.4751 0.5825 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6266 -10.6266 -10.2650 -10.2650 -10.2338 -10.2338 1.6347 1.6347 1.7436 1.7436 4.5562 4.5562 4.7103 4.7103 4.8930 4.8930 5.0320 5.0320 5.5272 5.5272 5.7028 5.7028 6.0543 6.0543 6.3169 6.3169 6.4483 6.4483 6.6543 6.6543 7.4396 7.4396 11.1934 11.1934 11.3006 11.3006 11.5175 11.5175 13.2163 13.2163 13.5309 13.5309 14.0583 14.0583 14.8910 14.8910 k =-0.2965 0.4862 0.5695 ( 3323 PWs) bands (ev): -29.3420 -29.3420 -10.6266 -10.6266 -10.2650 -10.2650 -10.2338 -10.2338 1.6334 1.6334 1.7428 1.7428 4.5590 4.5590 4.7128 4.7128 4.8907 4.8907 5.0334 5.0334 5.5269 5.5269 5.7014 5.7014 6.0527 6.0527 6.3155 6.3155 6.4480 6.4480 6.6524 6.6524 7.4396 7.4396 11.1960 11.1960 11.3310 11.3310 11.5000 11.5000 13.2168 13.2168 13.5662 13.5662 14.0150 14.0150 14.9057 14.9057 k =-0.2965 0.4862 0.5695 ( 3323 PWs) bands (ev): -29.3420 -29.3420 -10.6266 -10.6266 -10.2650 -10.2650 -10.2338 -10.2338 1.6334 1.6334 1.7428 1.7428 4.5590 4.5590 4.7128 4.7128 4.8907 4.8907 5.0334 5.0334 5.5269 5.5269 5.7014 5.7014 6.0527 6.0527 6.3155 6.3155 6.4480 6.4480 6.6524 6.6524 7.4396 7.4396 11.1960 11.1960 11.3310 11.3310 11.5000 11.5000 13.2168 13.2168 13.5662 13.5662 14.0150 14.0150 14.9057 14.9057 k =-0.2897 0.4752 0.5566 ( 3321 PWs) bands (ev): -29.3420 -29.3420 -10.6268 -10.6268 -10.2652 -10.2652 -10.2339 -10.2339 1.6976 1.6976 1.7203 1.7203 4.5801 4.5801 4.7173 4.7173 4.9050 4.9050 4.9801 4.9801 5.5224 5.5224 5.6879 5.6879 6.0452 6.0452 6.3102 6.3102 6.4356 6.4356 6.6205 6.6205 7.4840 7.4840 11.0875 11.0875 11.3779 11.3779 11.4462 11.4462 13.2114 13.2114 13.5239 13.5239 13.9930 13.9930 14.9633 14.9633 k =-0.2830 0.4641 0.5436 ( 3317 PWs) bands (ev): -29.3420 -29.3420 -10.6269 -10.6269 -10.2653 -10.2653 -10.2340 -10.2340 1.6924 1.6924 1.7621 1.7621 4.6023 4.6023 4.7187 4.7187 4.9160 4.9160 4.9312 4.9312 5.5202 5.5202 5.6745 5.6745 6.0450 6.0450 6.3013 6.3013 6.4274 6.4274 6.5929 6.5929 7.5309 7.5309 10.9763 10.9763 11.3695 11.3695 11.4520 11.4520 13.1757 13.1757 13.5112 13.5112 13.9737 13.9737 15.0211 15.0214 k =-0.2763 0.4531 0.5307 ( 3317 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2654 -10.2654 -10.2340 -10.2340 1.6613 1.6613 1.8244 1.8244 4.6255 4.6255 4.7148 4.7148 4.8830 4.8830 4.9310 4.9310 5.5174 5.5174 5.6644 5.6644 6.0499 6.0499 6.2908 6.2908 6.4212 6.4212 6.5706 6.5706 7.5800 7.5800 10.8650 10.8650 11.3184 11.3184 11.5022 11.5022 13.1131 13.1131 13.5246 13.5246 13.9571 13.9571 15.0788 15.0793 k =-0.2695 0.4420 0.5177 ( 3313 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2655 -10.2655 -10.2340 -10.2340 1.6260 1.6260 1.8850 1.8850 4.6490 4.6490 4.7031 4.7031 4.8483 4.8483 4.9416 4.9416 5.5105 5.5105 5.6621 5.6621 6.0569 6.0569 6.2818 6.2818 6.4140 6.4140 6.5554 6.5554 7.6310 7.6310 10.7544 10.7544 11.2665 11.2665 11.5549 11.5549 13.0343 13.0343 13.5536 13.5536 13.9430 13.9430 15.1360 15.1361 k =-0.2628 0.4310 0.5048 ( 3313 PWs) bands (ev): -29.3419 -29.3419 -10.6270 -10.6270 -10.2655 -10.2655 -10.2341 -10.2341 1.5867 1.5867 1.9434 1.9434 4.6661 4.6661 4.6881 4.6881 4.8255 4.8255 4.9520 4.9520 5.4975 5.4975 5.6706 5.6706 6.0625 6.0625 6.2778 6.2778 6.4036 6.4036 6.5482 6.5482 7.6838 7.6838 10.6444 10.6444 11.2170 11.2170 11.6072 11.6072 12.9466 12.9466 13.5906 13.5906 13.9313 13.9313 15.1926 15.1927 k =-0.2560 0.4199 0.4918 ( 3311 PWs) bands (ev): -29.3419 -29.3419 -10.6270 -10.6270 -10.2655 -10.2655 -10.2341 -10.2341 1.5437 1.5437 1.9991 1.9991 4.6449 4.6449 4.7035 4.7035 4.8130 4.8130 4.9623 4.9623 5.4796 5.4796 5.6897 5.6897 6.0640 6.0640 6.2819 6.2819 6.3898 6.3898 6.5485 6.5485 7.7379 7.7379 10.5353 10.5353 11.1704 11.1704 11.6587 11.6587 12.8537 12.8537 13.6318 13.6318 13.9219 13.9219 15.2482 15.2482 k =-0.2493 0.4089 0.4789 ( 3307 PWs) bands (ev): -29.3419 -29.3419 -10.6270 -10.6270 -10.2654 -10.2654 -10.2341 -10.2341 1.4971 1.4971 2.0518 2.0518 4.6120 4.6120 4.7259 4.7259 4.8075 4.8075 4.9728 4.9728 5.4596 5.4596 5.7169 5.7169 6.0605 6.0605 6.2950 6.2950 6.3739 6.3739 6.5545 6.5545 7.7932 7.7932 10.4270 10.4270 11.1272 11.1272 11.7094 11.7094 12.7576 12.7576 13.6750 13.6750 13.9146 13.9146 15.3025 15.3025 k =-0.2426 0.3978 0.4659 ( 3311 PWs) bands (ev): -29.3420 -29.3420 -10.6269 -10.6269 -10.2653 -10.2653 -10.2341 -10.2341 1.4472 1.4472 2.1010 2.1010 4.5784 4.5784 4.7442 4.7442 4.8086 4.8086 4.9837 4.9837 5.4402 5.4402 5.7499 5.7499 6.0532 6.0532 6.3156 6.3156 6.3583 6.3583 6.5646 6.5646 7.8495 7.8495 10.3197 10.3197 11.0875 11.0875 11.7594 11.7594 12.6593 12.6593 13.7190 13.7190 13.9094 13.9094 15.3553 15.3553 k =-0.2358 0.3868 0.4530 ( 3315 PWs) bands (ev): -29.3420 -29.3420 -10.6268 -10.6268 -10.2651 -10.2651 -10.2340 -10.2340 1.3944 1.3944 2.1464 2.1464 4.5462 4.5462 4.7531 4.7531 4.8187 4.8187 4.9950 4.9950 5.4236 5.4236 5.7863 5.7863 6.0450 6.0450 6.3316 6.3316 6.3544 6.3544 6.5775 6.5775 7.9064 7.9064 10.2134 10.2134 11.0516 11.0516 11.8086 11.8086 12.5595 12.5595 13.7627 13.7627 13.9060 13.9060 15.4062 15.4062 k =-0.2291 0.3757 0.4401 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6267 -10.6267 -10.2649 -10.2649 -10.2340 -10.2340 1.3391 1.3391 2.1876 2.1876 4.5165 4.5165 4.7525 4.7525 4.8362 4.8362 5.0062 5.0062 5.4115 5.4115 5.8236 5.8236 6.0394 6.0394 6.3221 6.3221 6.3826 6.3826 6.5922 6.5922 7.9637 7.9637 10.1080 10.1080 11.0197 11.0197 11.8572 11.8572 12.4587 12.4587 13.8053 13.8053 13.9043 13.9043 15.4548 15.4548 k =-0.2224 0.3647 0.4271 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6266 -10.6266 -10.2646 -10.2646 -10.2340 -10.2340 1.2815 1.2815 2.2243 2.2243 4.4895 4.4895 4.7463 4.7463 4.8561 4.8561 5.0170 5.0170 5.4056 5.4056 5.8575 5.8575 6.0413 6.0413 6.3107 6.3107 6.4189 6.4189 6.6084 6.6084 8.0211 8.0211 10.0038 10.0038 10.9919 10.9919 11.9049 11.9049 12.3574 12.3574 13.8461 13.8461 13.9042 13.9042 15.5006 15.5006 k =-0.2156 0.3536 0.4142 ( 3315 PWs) bands (ev): -29.3420 -29.3420 -10.6264 -10.6264 -10.2643 -10.2643 -10.2339 -10.2339 1.2220 1.2220 2.2565 2.2565 4.4652 4.4652 4.7370 4.7370 4.8748 4.8748 5.0267 5.0267 5.4071 5.4071 5.8831 5.8831 6.0557 6.0557 6.3024 6.3024 6.4584 6.4584 6.6257 6.6257 8.0783 8.0783 9.9005 9.9005 10.9686 10.9686 11.9512 11.9512 12.2566 12.2566 13.8843 13.8843 13.9054 13.9054 15.5432 15.5432 k =-0.2089 0.3426 0.4012 ( 3321 PWs) bands (ev): -29.3421 -29.3421 -10.6262 -10.6262 -10.2640 -10.2640 -10.2338 -10.2338 1.1611 1.1611 2.2839 2.2839 4.4437 4.4437 4.7257 4.7257 4.8903 4.8903 5.0349 5.0349 5.4168 5.4168 5.8979 5.8979 6.0845 6.0845 6.2995 6.2995 6.5000 6.5000 6.6441 6.6441 8.1350 8.1350 9.7985 9.7985 10.9498 10.9498 11.9927 11.9927 12.1599 12.1599 13.9072 13.9072 13.9194 13.9194 15.5818 15.5818 k =-0.2021 0.3315 0.3883 ( 3313 PWs) bands (ev): -29.3421 -29.3421 -10.6259 -10.6259 -10.2636 -10.2636 -10.2337 -10.2337 1.0992 1.0992 2.3065 2.3065 4.4247 4.4247 4.7130 4.7130 4.9017 4.9017 5.0415 5.0415 5.4346 5.4346 5.9053 5.9053 6.1220 6.1220 6.3053 6.3053 6.5428 6.5428 6.6638 6.6638 8.1909 8.1909 9.6975 9.6975 10.9358 10.9358 12.0006 12.0006 12.0963 12.0963 13.9103 13.9103 13.9498 13.9498 15.6156 15.6156 k =-0.1954 0.3205 0.3753 ( 3321 PWs) bands (ev): -29.3421 -29.3421 -10.6257 -10.6257 -10.2632 -10.2632 -10.2336 -10.2336 1.0365 1.0365 2.3245 2.3245 4.4080 4.4080 4.6992 4.6992 4.9083 4.9083 5.0469 5.0469 5.4593 5.4593 5.9103 5.9103 6.1589 6.1589 6.3253 6.3253 6.5860 6.5860 6.6853 6.6853 8.2457 8.2457 9.5979 9.5979 10.9268 10.9268 11.9239 11.9239 12.1170 12.1170 13.9136 13.9136 13.9753 13.9753 15.6440 15.6440 k =-0.1887 0.3094 0.3624 ( 3321 PWs) bands (ev): -29.3422 -29.3422 -10.6254 -10.6254 -10.2627 -10.2627 -10.2335 -10.2335 0.9734 0.9734 2.3380 2.3380 4.3935 4.3935 4.6846 4.6846 4.9100 4.9100 5.0516 5.0516 5.4893 5.4893 5.9166 5.9166 6.1871 6.1871 6.3648 6.3648 6.6283 6.6283 6.7097 6.7097 8.2990 8.2990 9.4995 9.4995 10.9229 10.9229 11.8247 11.8247 12.1603 12.1603 13.9169 13.9169 13.9952 13.9952 15.6668 15.6668 k =-0.1819 0.2984 0.3495 ( 3325 PWs) bands (ev): -29.3422 -29.3422 -10.6251 -10.6251 -10.2622 -10.2622 -10.2334 -10.2334 0.9103 0.9103 2.3471 2.3471 4.3808 4.3808 4.6693 4.6693 4.9070 4.9070 5.0559 5.0559 5.5223 5.5223 5.9263 5.9263 6.2066 6.2066 6.4222 6.4222 6.6682 6.6682 6.7389 6.7389 8.3505 8.3505 9.4025 9.4025 10.9244 10.9244 11.7220 11.7220 12.2072 12.2072 13.9197 13.9197 14.0088 14.0088 15.6850 15.6850 k =-0.1752 0.2873 0.3365 ( 3327 PWs) bands (ev): -29.3423 -29.3423 -10.6248 -10.6248 -10.2617 -10.2617 -10.2332 -10.2332 0.8474 0.8474 2.3523 2.3523 4.3698 4.3698 4.6536 4.6536 4.8999 4.8999 5.0600 5.0600 5.5562 5.5562 5.9406 5.9406 6.2222 6.2222 6.4914 6.4914 6.7046 6.7046 6.7748 6.7748 8.3998 8.3998 9.3070 9.3070 10.9315 10.9315 11.6184 11.6184 12.2554 12.2554 13.9213 13.9213 14.0160 14.0160 15.6999 15.6999 k =-0.1684 0.2763 0.3236 ( 3323 PWs) bands (ev): -29.3423 -29.3423 -10.6244 -10.6244 -10.2612 -10.2612 -10.2330 -10.2330 0.7852 0.7852 2.3537 2.3537 4.3603 4.3603 4.6377 4.6377 4.8895 4.8895 5.0638 5.0638 5.5895 5.5895 5.9598 5.9598 6.2381 6.2381 6.5658 6.5658 6.7402 6.7402 6.8171 6.8171 8.4464 8.4464 9.2132 9.2132 10.9440 10.9440 11.5147 11.5147 12.3043 12.3043 13.9212 13.9212 14.0166 14.0166 15.7127 15.7127 k =-0.1617 0.2652 0.3106 ( 3319 PWs) bands (ev): -29.3424 -29.3424 -10.6241 -10.6241 -10.2606 -10.2606 -10.2327 -10.2327 0.7237 0.7237 2.3517 2.3517 4.3521 4.3521 4.6217 4.6217 4.8764 4.8764 5.0671 5.0671 5.6211 5.6211 5.9832 5.9832 6.2568 6.2568 6.6369 6.6369 6.7833 6.7833 6.8638 6.8638 8.4900 8.4900 9.1214 9.1214 10.9621 10.9621 11.4114 11.4114 12.3537 12.3537 13.9183 13.9183 14.0108 14.0108 15.7236 15.7236 k =-0.1550 0.2542 0.2977 ( 3309 PWs) bands (ev): -29.3424 -29.3424 -10.6237 -10.6237 -10.2601 -10.2601 -10.2325 -10.2325 0.6633 0.6633 2.3468 2.3468 4.3449 4.3449 4.6059 4.6059 4.8612 4.8612 5.0697 5.0697 5.6507 5.6507 6.0096 6.0096 6.2799 6.2799 6.6930 6.6930 6.8462 6.8462 6.9133 6.9133 8.5298 8.5298 9.0321 9.0321 10.9851 10.9851 11.3093 11.3093 12.4036 12.4036 13.9115 13.9115 13.9993 13.9993 15.7319 15.7319 k =-0.1482 0.2431 0.2847 ( 3307 PWs) bands (ev): -29.3425 -29.3425 -10.6233 -10.6233 -10.2595 -10.2595 -10.2322 -10.2322 0.6041 0.6041 2.3393 2.3393 4.3387 4.3387 4.5903 4.5903 4.8443 4.8443 5.0716 5.0716 5.6785 5.6785 6.0372 6.0372 6.3082 6.3082 6.7308 6.7308 6.9323 6.9323 6.9645 6.9645 8.5646 8.5646 8.9463 8.9463 11.0107 11.0107 11.2110 11.2110 12.4538 12.4538 13.8997 13.8997 13.9827 13.9827 15.7364 15.7364 k =-0.1415 0.2321 0.2718 ( 3305 PWs) bands (ev): -29.3425 -29.3425 -10.6229 -10.6229 -10.2590 -10.2590 -10.2319 -10.2319 0.5465 0.5465 2.3296 2.3296 4.3332 4.3332 4.5751 4.5751 4.8262 4.8262 5.0728 5.0728 5.7052 5.7052 6.0644 6.0644 6.3420 6.3420 6.7575 6.7575 7.0170 7.0170 7.0344 7.0344 8.5919 8.5919 8.8667 8.8667 11.0241 11.0241 11.1316 11.1316 12.5043 12.5043 13.8815 13.8815 13.9619 13.9619 15.7314 15.7315 k =-0.1348 0.2210 0.2589 ( 3309 PWs) bands (ev): -29.3426 -29.3426 -10.6226 -10.6226 -10.2585 -10.2585 -10.2315 -10.2315 0.4905 0.4905 2.3180 2.3180 4.3284 4.3284 4.5605 4.5605 4.8071 4.8071 5.0732 5.0732 5.7313 5.7313 6.0904 6.0904 6.3809 6.3809 6.7788 6.7788 7.0705 7.0705 7.1464 7.1464 8.6046 8.6046 8.8003 8.8003 10.9702 10.9702 11.1259 11.1259 12.5550 12.5550 13.8556 13.8556 13.9375 13.9375 15.6826 15.6827 k =-0.1280 0.2100 0.2459 ( 3311 PWs) bands (ev): -29.3426 -29.3426 -10.6222 -10.6222 -10.2580 -10.2580 -10.2312 -10.2312 0.4364 0.4364 2.3050 2.3050 4.3241 4.3241 4.5464 4.5464 4.7873 4.7873 5.0730 5.0730 5.7573 5.7573 6.1146 6.1146 6.4241 6.4241 6.7973 6.7973 7.1248 7.1248 7.2656 7.2656 8.5874 8.5874 8.7625 8.7625 10.8777 10.8777 11.1654 11.1654 12.6058 12.6058 13.8211 13.8211 13.9098 13.9098 15.6114 15.6114 k =-0.1213 0.1989 0.2330 ( 3311 PWs) bands (ev): -29.3427 -29.3427 -10.6218 -10.6218 -10.2576 -10.2576 -10.2308 -10.2308 0.3843 0.3843 2.2908 2.2908 4.3202 4.3202 4.5330 4.5330 4.7671 4.7671 5.0722 5.0722 5.7836 5.7836 6.1372 6.1372 6.4704 6.4704 6.8140 6.8140 7.1799 7.1799 7.3905 7.3905 8.5361 8.5361 8.7577 8.7577 10.7795 10.7795 11.2172 11.2172 12.6565 12.6565 13.7773 13.7773 13.8791 13.8791 15.5456 15.5456 k =-0.1145 0.1879 0.2200 ( 3311 PWs) bands (ev): -29.3427 -29.3427 -10.6215 -10.6215 -10.2571 -10.2571 -10.2304 -10.2304 0.3344 0.3344 2.2758 2.2758 4.3168 4.3168 4.5204 4.5204 4.7465 4.7465 5.0710 5.0710 5.8104 5.8104 6.1585 6.1585 6.5184 6.5184 6.8295 6.8295 7.2354 7.2354 7.5200 7.5200 8.4684 8.4684 8.7687 8.7687 10.6807 10.6807 11.2761 11.2761 12.7069 12.7069 13.7236 13.7236 13.8457 13.8457 15.4887 15.4887 k =-0.1078 0.1768 0.2071 ( 3315 PWs) bands (ev): -29.3428 -29.3428 -10.6211 -10.6211 -10.2567 -10.2567 -10.2300 -10.2300 0.2867 0.2867 2.2602 2.2602 4.3137 4.3137 4.5087 4.5087 4.7259 4.7259 5.0695 5.0695 5.8376 5.8376 6.1788 6.1788 6.5672 6.5672 6.8438 6.8438 7.2913 7.2913 7.6530 7.6530 8.3962 8.3962 8.7840 8.7840 10.5825 10.5825 11.3406 11.3406 12.7565 12.7565 13.6594 13.6594 13.8103 13.8103 15.4422 15.4422 k =-0.1011 0.1658 0.1941 ( 3319 PWs) bands (ev): -29.3429 -29.3429 -10.6208 -10.6208 -10.2563 -10.2563 -10.2295 -10.2295 0.2414 0.2414 2.2444 2.2444 4.3108 4.3108 4.4979 4.4979 4.7053 4.7053 5.0677 5.0677 5.8652 5.8652 6.1985 6.1985 6.6158 6.6158 6.8573 6.8573 7.3473 7.3473 7.7886 7.7886 8.3242 8.3242 8.7997 8.7997 10.4856 10.4856 11.4100 11.4100 12.8050 12.8050 13.5847 13.5847 13.7736 13.7736 15.4066 15.4066 k =-0.0943 0.1547 0.1812 ( 3315 PWs) bands (ev): -29.3429 -29.3429 -10.6204 -10.6204 -10.2560 -10.2560 -10.2291 -10.2291 0.1986 0.1986 2.2286 2.2286 4.3082 4.3082 4.4880 4.4880 4.6850 4.6850 5.0657 5.0657 5.8929 5.8929 6.2178 6.2178 6.6636 6.6636 6.8700 6.8700 7.4027 7.4027 7.9248 7.9248 8.2554 8.2554 8.8144 8.8144 10.3903 10.3903 11.4836 11.4836 12.8514 12.8514 13.5005 13.5005 13.7366 13.7366 15.3818 15.3818 k =-0.0876 0.1437 0.1683 ( 3317 PWs) bands (ev): -29.3430 -29.3430 -10.6201 -10.6201 -10.2556 -10.2556 -10.2286 -10.2286 0.1583 0.1583 2.2129 2.2129 4.3057 4.3057 4.4792 4.4792 4.6650 4.6650 5.0637 5.0637 5.9207 5.9207 6.2369 6.2369 6.7099 6.7099 6.8819 6.8819 7.4569 7.4569 8.0548 8.0548 8.1974 8.1974 8.8278 8.8278 10.2974 10.2974 11.5608 11.5608 12.8940 12.8940 13.4091 13.4091 13.6997 13.6997 15.3673 15.3673 k =-0.0809 0.1326 0.1553 ( 3319 PWs) bands (ev): -29.3430 -29.3430 -10.6198 -10.6198 -10.2553 -10.2553 -10.2282 -10.2282 0.1208 0.1208 2.1977 2.1977 4.3034 4.3034 4.4714 4.4714 4.6454 4.6454 5.0618 5.0618 5.9480 5.9480 6.2560 6.2560 6.7544 6.7544 6.8932 6.8932 7.5084 7.5084 8.0997 8.0997 8.2293 8.2293 8.8399 8.8399 10.2072 10.2072 11.6408 11.6408 12.9284 12.9284 13.3157 13.3157 13.6633 13.6633 15.3620 15.3620 k =-0.0741 0.1216 0.1424 ( 3323 PWs) bands (ev): -29.3431 -29.3431 -10.6195 -10.6195 -10.2551 -10.2551 -10.2277 -10.2277 0.0860 0.0860 2.1831 2.1831 4.3013 4.3013 4.4648 4.4648 4.6264 4.6264 5.0599 5.0599 5.9746 5.9746 6.2750 6.2750 6.7967 6.7967 6.9039 6.9039 7.5548 7.5548 8.0559 8.0559 8.3560 8.3560 8.8508 8.8508 10.1206 10.1206 11.7230 11.7230 12.9439 12.9439 13.2330 13.2330 13.6278 13.6278 15.3644 15.3644 k =-0.0674 0.1105 0.1294 ( 3309 PWs) bands (ev): -29.3431 -29.3431 -10.6192 -10.6192 -10.2548 -10.2548 -10.2272 -10.2272 0.0540 0.0540 2.1693 2.1693 4.2993 4.2993 4.4593 4.4593 4.6081 4.6081 5.0581 5.0581 6.0001 6.0001 6.2942 6.2942 6.8364 6.8364 6.9144 6.9144 7.5919 7.5919 8.0148 8.0148 8.4878 8.4878 8.8610 8.8610 10.0387 10.0387 11.8063 11.8063 12.9172 12.9172 13.1854 13.1854 13.5932 13.5932 15.3696 15.3697 k =-0.0606 0.0995 0.1165 ( 3313 PWs) bands (ev): -29.3431 -29.3431 -10.6190 -10.6190 -10.2546 -10.2546 -10.2268 -10.2268 0.0249 0.0249 2.1563 2.1563 4.2975 4.2975 4.4551 4.4551 4.5905 4.5905 5.0564 5.0564 6.0241 6.0241 6.3133 6.3133 6.8725 6.8725 6.9254 6.9254 7.6141 7.6141 7.9896 7.9896 8.6142 8.6142 8.8720 8.8720 9.9627 9.9627 11.8898 11.8898 12.8400 12.8400 13.1832 13.1832 13.5598 13.5598 15.3252 15.3252 k =-0.0539 0.0884 0.1035 ( 3315 PWs) bands (ev): -29.3432 -29.3432 -10.6188 -10.6188 -10.2545 -10.2545 -10.2264 -10.2264 -0.0013 -0.0013 2.1444 2.1444 4.2957 4.2957 4.4520 4.4520 4.5737 4.5737 5.0549 5.0549 6.0461 6.0461 6.3323 6.3323 6.9023 6.9023 6.9399 6.9399 7.6162 7.6162 7.9858 7.9858 8.7273 8.7273 8.8878 8.8878 9.8946 9.8946 11.9724 11.9724 12.7357 12.7357 13.2048 13.2048 13.5278 13.5278 15.2535 15.2535 k =-0.0472 0.0774 0.0906 ( 3313 PWs) bands (ev): -29.3432 -29.3432 -10.6186 -10.6186 -10.2543 -10.2543 -10.2260 -10.2260 -0.0245 -0.0245 2.1337 2.1337 4.2942 4.2942 4.4502 4.4502 4.5578 4.5578 5.0536 5.0536 6.0661 6.0661 6.3509 6.3509 6.9212 6.9212 6.9624 6.9624 7.5991 7.5991 8.0028 8.0028 8.8087 8.8087 8.9231 8.9231 9.8372 9.8372 12.0527 12.0527 12.6227 12.6227 13.2341 13.2341 13.4971 13.4971 15.1806 15.1806 k =-0.0404 0.0663 0.0777 ( 3309 PWs) bands (ev): -29.3432 -29.3432 -10.6184 -10.6184 -10.2542 -10.2542 -10.2257 -10.2257 -0.0446 -0.0446 2.1242 2.1242 4.2928 4.2928 4.4497 4.4497 4.5429 4.5429 5.0525 5.0525 6.0836 6.0836 6.3688 6.3688 6.9316 6.9316 6.9904 6.9904 7.5691 7.5691 8.0335 8.0335 8.8431 8.8431 8.9884 8.9884 9.7938 9.7938 12.1290 12.1290 12.5099 12.5099 13.2644 13.2644 13.4682 13.4682 15.1103 15.1103 k =-0.0337 0.0553 0.0647 ( 3317 PWs) bands (ev): -29.3433 -29.3433 -10.6182 -10.6182 -10.2541 -10.2541 -10.2254 -10.2254 -0.0618 -0.0618 2.1160 2.1160 4.2915 4.2915 4.4505 4.4505 4.5290 4.5290 5.0516 5.0516 6.0985 6.0985 6.3855 6.3855 6.9384 6.9384 7.0189 7.0189 7.5332 7.5332 8.0707 8.0707 8.8550 8.8550 9.0545 9.0545 9.7679 9.7679 12.1991 12.1991 12.4032 12.4032 13.2927 13.2927 13.4414 13.4414 15.0453 15.0453 k =-0.0270 0.0442 0.0518 ( 3321 PWs) bands (ev): -29.3433 -29.3433 -10.6181 -10.6181 -10.2540 -10.2540 -10.2252 -10.2252 -0.0758 -0.0758 2.1092 2.1092 4.2905 4.2905 4.4525 4.4525 4.5162 4.5162 5.0508 5.0508 6.1107 6.1107 6.4003 6.4003 6.9434 6.9434 7.0460 7.0460 7.4964 7.4964 8.1085 8.1085 8.8600 8.8600 9.1026 9.1026 9.7611 9.7611 12.2567 12.2567 12.3115 12.3115 13.3177 13.3177 13.4173 13.4173 14.9880 14.9880 k =-0.0202 0.0332 0.0388 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6180 -10.6180 -10.2540 -10.2540 -10.2250 -10.2250 -0.0868 -0.0868 2.1039 2.1039 4.2896 4.2896 4.4556 4.4556 4.5046 4.5046 5.0502 5.0502 6.1202 6.1202 6.4128 6.4128 6.9471 6.9471 7.0704 7.0704 7.4623 7.4623 8.1428 8.1428 8.8621 8.8621 9.1303 9.1303 9.7700 9.7700 12.2183 12.2183 12.3205 12.3205 13.3380 13.3380 13.3968 13.3968 14.9409 14.9409 k =-0.0135 0.0221 0.0259 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6180 -10.6180 -10.2539 -10.2539 -10.2249 -10.2249 -0.0946 -0.0946 2.1000 2.1000 4.2890 4.2890 4.4599 4.4599 4.4943 4.4943 5.0498 5.0498 6.1270 6.1270 6.4222 6.4222 6.9497 6.9497 7.0906 7.0906 7.4343 7.4343 8.1702 8.1702 8.8627 8.8627 9.1425 9.1425 9.7866 9.7866 12.1569 12.1569 12.3591 12.3591 13.3529 13.3529 13.3811 13.3811 14.9056 14.9056 k =-0.0067 0.0111 0.0129 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6179 -10.6179 -10.2539 -10.2539 -10.2248 -10.2248 -0.0993 -0.0993 2.0977 2.0977 4.2886 4.2886 4.4646 4.4646 4.4859 4.4859 5.0496 5.0496 6.1310 6.1310 6.4280 6.4280 6.9512 6.9512 7.1043 7.1043 7.4154 7.4154 8.1879 8.1879 8.8628 8.8628 9.1462 9.1462 9.8013 9.8013 12.1174 12.1174 12.3840 12.3840 13.3609 13.3609 13.3721 13.3721 14.8839 14.8839 k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -29.3433 -29.3433 -10.6179 -10.6179 -10.2539 -10.2539 -10.2248 -10.2248 -0.1009 -0.1009 2.0969 2.0969 4.2885 4.2885 4.4674 4.4674 4.4819 4.4819 5.0495 5.0495 6.1324 6.1324 6.4300 6.4300 6.9517 6.9517 7.1092 7.1092 7.4087 7.4087 8.1940 8.1940 8.8627 8.8627 9.1468 9.1468 9.8070 9.8070 12.1039 12.1039 12.3925 12.3925 13.3620 13.3620 13.3706 13.3706 14.8765 14.8765 k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -29.3433 -29.3433 -10.6179 -10.6179 -10.2539 -10.2539 -10.2248 -10.2248 -0.1009 -0.1009 2.0969 2.0969 4.2885 4.2885 4.4674 4.4674 4.4819 4.4819 5.0495 5.0495 6.1324 6.1324 6.4300 6.4300 6.9517 6.9517 7.1092 7.1092 7.4087 7.4087 8.1940 8.1940 8.8627 8.8627 9.1468 9.1468 9.8070 9.8070 12.1039 12.1039 12.3925 12.3925 13.3620 13.3620 13.3706 13.3706 14.8765 14.8765 k = 0.0156 0.0095 0.0000 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6179 -10.6179 -10.2539 -10.2539 -10.2248 -10.2248 -0.1000 -0.1000 2.0960 2.0960 4.2885 4.2885 4.4678 4.4678 4.4819 4.4819 5.0495 5.0495 6.1315 6.1315 6.4299 6.4299 6.9510 6.9510 7.1091 7.1091 7.4025 7.4025 8.1911 8.1911 8.8743 8.8743 9.1466 9.1466 9.8065 9.8065 12.0869 12.0869 12.4133 12.4133 13.3647 13.3647 13.3732 13.3732 14.8737 14.8738 k = 0.0312 0.0191 0.0000 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6179 -10.6179 -10.2539 -10.2539 -10.2248 -10.2248 -0.0971 -0.0971 2.0931 2.0931 4.2886 4.2886 4.4690 4.4690 4.4820 4.4820 5.0497 5.0497 6.1290 6.1290 6.4295 6.4295 6.9490 6.9490 7.1090 7.1090 7.3843 7.3843 8.1831 8.1831 8.9080 8.9080 9.1462 9.1462 9.8051 9.8051 12.0458 12.0458 12.4656 12.4656 13.3729 13.3729 13.3809 13.3809 14.8658 14.8658 k = 0.0469 0.0286 0.0000 ( 3329 PWs) bands (ev): -29.3433 -29.3433 -10.6180 -10.6180 -10.2540 -10.2540 -10.2248 -10.2248 -0.0924 -0.0924 2.0883 2.0883 4.2887 4.2887 4.4709 4.4709 4.4822 4.4822 5.0500 5.0500 6.1248 6.1248 6.4288 6.4288 6.9457 6.9457 7.1087 7.1087 7.3552 7.3552 8.1719 8.1719 8.9607 8.9607 9.1455 9.1455 9.8029 9.8029 11.9947 11.9947 12.5354 12.5354 13.3866 13.3866 13.3938 13.3938 14.8532 14.8532 k = 0.0625 0.0381 0.0000 ( 3333 PWs) bands (ev): -29.3433 -29.3433 -10.6181 -10.6181 -10.2541 -10.2541 -10.2248 -10.2248 -0.0858 -0.0858 2.0816 2.0816 4.2888 4.2888 4.4736 4.4736 4.4824 4.4824 5.0505 5.0505 6.1188 6.1188 6.4279 6.4279 6.9412 6.9412 7.1083 7.1083 7.3167 7.3167 8.1596 8.1596 9.0289 9.0289 9.1446 9.1446 9.8000 9.8000 11.9406 11.9406 12.6154 12.6154 13.4055 13.4055 13.4117 13.4117 14.8369 14.8369 k = 0.0781 0.0476 0.0000 ( 3333 PWs) bands (ev): -29.3433 -29.3433 -10.6181 -10.6181 -10.2543 -10.2543 -10.2247 -10.2247 -0.0774 -0.0774 2.0731 2.0731 4.2890 4.2890 4.4770 4.4770 4.4827 4.4827 5.0510 5.0510 6.1108 6.1108 6.4268 6.4268 6.9355 6.9355 7.1078 7.1078 7.2708 7.2708 8.1476 8.1476 9.1094 9.1094 9.1435 9.1435 9.7966 9.7966 11.8869 11.8869 12.7025 12.7025 13.4297 13.4297 13.4347 13.4347 14.8178 14.8178 k = 0.0938 0.0572 0.0000 ( 3341 PWs) bands (ev): -29.3433 -29.3433 -10.6182 -10.6182 -10.2544 -10.2544 -10.2247 -10.2247 -0.0673 -0.0673 2.0628 2.0628 4.2892 4.2892 4.4811 4.4811 4.4830 4.4830 5.0517 5.0517 6.1007 6.1007 6.4254 6.4254 6.9286 6.9286 7.1071 7.1071 7.2194 7.2194 8.1367 8.1367 9.1421 9.1421 9.1994 9.1994 9.7931 9.7931 11.8347 11.8347 12.7951 12.7951 13.4589 13.4589 13.4628 13.4628 14.7970 14.7970 k = 0.1094 0.0667 0.0000 ( 3329 PWs) bands (ev): -29.3433 -29.3433 -10.6182 -10.6182 -10.2546 -10.2546 -10.2247 -10.2247 -0.0553 -0.0553 2.0508 2.0508 4.2895 4.2895 4.4834 4.4834 4.4858 4.4858 5.0526 5.0526 6.0884 6.0884 6.4238 6.4238 6.9208 6.9208 7.1063 7.1063 7.1644 7.1644 8.1272 8.1272 9.1406 9.1406 9.2964 9.2964 9.7900 9.7900 11.7847 11.7847 12.8925 12.8925 13.4928 13.4928 13.4958 13.4958 14.7752 14.7752 k = 0.1250 0.0762 0.0000 ( 3321 PWs) bands (ev): -29.3433 -29.3433 -10.6183 -10.6183 -10.2547 -10.2547 -10.2247 -10.2247 -0.0417 -0.0417 2.0372 2.0372 4.2898 4.2898 4.4838 4.4838 4.4911 4.4911 5.0536 5.0536 6.0735 6.0735 6.4219 6.4219 6.9121 6.9121 7.1053 7.1053 7.1076 7.1076 8.1191 8.1191 9.1389 9.1389 9.3978 9.3978 9.7885 9.7885 11.7373 11.7373 12.9941 12.9941 13.5314 13.5314 13.5338 13.5338 14.7530 14.7530 k = 0.1406 0.0857 0.0000 ( 3321 PWs) bands (ev): -29.3433 -29.3433 -10.6184 -10.6184 -10.2549 -10.2549 -10.2246 -10.2246 -0.0265 -0.0265 2.0221 2.0221 4.2901 4.2901 4.4843 4.4843 4.4970 4.4970 5.0549 5.0549 6.0559 6.0559 6.4199 6.4199 6.9026 6.9026 7.0505 7.0505 7.1041 7.1041 8.1122 8.1122 9.1372 9.1372 9.4999 9.4999 9.7917 9.7917 11.6925 11.6925 13.0997 13.0997 13.5743 13.5743 13.5765 13.5765 14.7311 14.7311 k = 0.1562 0.0953 0.0000 ( 3313 PWs) bands (ev): -29.3433 -29.3433 -10.6185 -10.6185 -10.2551 -10.2551 -10.2246 -10.2246 -0.0098 -0.0098 2.0055 2.0055 4.2904 4.2904 4.4849 4.4849 4.5034 4.5034 5.0563 5.0563 6.0354 6.0354 6.4176 6.4176 6.8925 6.8925 6.9943 6.9943 7.1029 7.1029 8.1064 8.1064 9.1354 9.1354 9.5934 9.5934 9.8080 9.8080 11.6504 11.6504 13.2090 13.2090 13.6216 13.6216 13.6238 13.6238 14.7099 14.7099 k = 0.1719 0.1048 0.0000 ( 3317 PWs) bands (ev): -29.3433 -29.3433 -10.6186 -10.6186 -10.2554 -10.2554 -10.2246 -10.2246 0.0084 0.0084 1.9876 1.9876 4.2908 4.2908 4.4854 4.4854 4.5102 4.5102 5.0579 5.0579 6.0118 6.0118 6.4152 6.4152 6.8817 6.8817 6.9403 6.9403 7.1014 7.1014 8.1015 8.1015 9.1335 9.1335 9.6586 9.6586 9.8567 9.8567 11.6110 11.6110 13.3215 13.3215 13.6728 13.6728 13.6756 13.6756 14.6897 14.6897 k = 0.1875 0.1143 0.0000 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6188 -10.6188 -10.2557 -10.2557 -10.2246 -10.2246 0.0279 0.0279 1.9684 1.9684 4.2912 4.2912 4.4860 4.4860 4.5174 4.5174 5.0597 5.0597 5.9849 5.9849 6.4126 6.4126 6.8706 6.8706 6.8891 6.8891 7.0999 7.0999 8.0973 8.0973 9.1317 9.1317 9.6857 9.6857 9.9471 9.9471 11.5742 11.5742 13.4369 13.4369 13.7273 13.7273 13.7324 13.7324 14.6708 14.6708 k = 0.2031 0.1238 0.0000 ( 3333 PWs) bands (ev): -29.3433 -29.3433 -10.6189 -10.6189 -10.2560 -10.2560 -10.2245 -10.2245 0.0487 0.0487 1.9482 1.9482 4.2916 4.2916 4.4866 4.4866 4.5249 4.5249 5.0619 5.0619 5.9547 5.9547 6.4099 6.4099 6.8415 6.8415 6.8591 6.8591 7.0982 7.0982 8.0937 8.0937 9.1299 9.1299 9.6923 9.6923 10.0616 10.0616 11.5399 11.5399 13.5544 13.5544 13.7846 13.7846 13.7946 13.7946 14.6535 14.6535 k = 0.2188 0.1334 0.0000 ( 3325 PWs) bands (ev): -29.3433 -29.3433 -10.6191 -10.6191 -10.2562 -10.2562 -10.2245 -10.2245 0.0705 0.0705 1.9271 1.9271 4.2920 4.2920 4.4873 4.4873 4.5327 4.5327 5.0643 5.0643 5.9214 5.9214 6.4071 6.4071 6.7978 6.7978 6.8473 6.8473 7.0964 7.0964 8.0906 8.0906 9.1282 9.1282 9.6910 9.6910 10.1872 10.1872 11.5081 11.5081 13.6730 13.6730 13.8441 13.8441 13.8629 13.8629 14.6383 14.6383 k = 0.2344 0.1429 0.0000 ( 3316 PWs) bands (ev): -29.3433 -29.3433 -10.6192 -10.6192 -10.2565 -10.2565 -10.2244 -10.2244 0.0933 0.0933 1.9051 1.9051 4.2925 4.2925 4.4879 4.4879 4.5406 4.5406 5.0670 5.0670 5.8851 5.8851 6.4041 6.4041 6.7583 6.7583 6.8355 6.8355 7.0946 7.0946 8.0879 8.0879 9.1266 9.1266 9.6866 9.6866 10.3191 10.3191 11.4787 11.4787 13.7901 13.7901 13.9052 13.9052 13.9395 13.9395 14.6253 14.6253 k = 0.2500 0.1524 0.0000 ( 3320 PWs) bands (ev): -29.3433 -29.3433 -10.6193 -10.6193 -10.2568 -10.2568 -10.2244 -10.2244 0.1169 0.1169 1.8824 1.8824 4.2929 4.2929 4.4886 4.4886 4.5487 4.5487 5.0701 5.0701 5.8461 5.8461 6.4011 6.4011 6.7231 6.7231 6.8237 6.8237 7.0927 7.0927 8.0856 8.0856 9.1251 9.1251 9.6808 9.6808 10.4555 10.4555 11.4515 11.4515 13.9012 13.9012 13.9671 13.9671 14.0283 14.0283 14.6152 14.6152 k = 0.2656 0.1620 0.0000 ( 3312 PWs) bands (ev): -29.3432 -29.3432 -10.6194 -10.6194 -10.2570 -10.2570 -10.2244 -10.2244 0.1412 0.1412 1.8593 1.8593 4.2934 4.2934 4.4892 4.4892 4.5569 4.5569 5.0737 5.0737 5.8050 5.8050 6.3981 6.3981 6.6919 6.6919 6.8120 6.8120 7.0908 7.0908 8.0836 8.0836 9.1237 9.1237 9.6744 9.6744 10.5953 10.5953 11.4265 11.4265 14.0018 14.0018 14.0285 14.0285 14.1335 14.1335 14.6086 14.6086 k = 0.2812 0.1715 0.0000 ( 3312 PWs) bands (ev): -29.3432 -29.3432 -10.6196 -10.6196 -10.2573 -10.2573 -10.2243 -10.2243 0.1658 0.1658 1.8359 1.8359 4.2938 4.2938 4.4899 4.4899 4.5651 4.5651 5.0777 5.0777 5.7623 5.7623 6.3951 6.3951 6.6646 6.6646 6.8005 6.8005 7.0888 7.0888 8.0818 8.0818 9.1225 9.1225 9.6678 9.6678 10.7382 10.7382 11.4036 11.4036 14.0878 14.0878 14.0931 14.0931 14.2535 14.2535 14.6066 14.6066 k = 0.2969 0.1810 0.0000 ( 3312 PWs) bands (ev): -29.3432 -29.3432 -10.6197 -10.6197 -10.2576 -10.2576 -10.2243 -10.2243 0.1907 0.1907 1.8123 1.8123 4.2943 4.2943 4.4905 4.4905 4.5732 4.5732 5.0823 5.0823 5.7185 5.7185 6.3921 6.3921 6.6408 6.6408 6.7893 6.7893 7.0870 7.0870 8.0802 8.0802 9.1214 9.1214 9.6612 9.6612 10.8836 10.8836 11.3827 11.3827 14.1432 14.1432 14.1797 14.1797 14.3826 14.3826 14.6106 14.6106 k = 0.3125 0.1905 0.0000 ( 3312 PWs) bands (ev): -29.3432 -29.3432 -10.6198 -10.6198 -10.2578 -10.2578 -10.2243 -10.2243 0.2156 0.2156 1.7888 1.7888 4.2947 4.2947 4.4912 4.4912 4.5812 4.5812 5.0875 5.0875 5.6742 5.6742 6.3892 6.3892 6.6202 6.6202 6.7785 6.7785 7.0851 7.0851 8.0788 8.0788 9.1205 9.1205 9.6548 9.6548 11.0313 11.0313 11.3637 11.3637 14.1916 14.1916 14.2652 14.2652 14.5171 14.5171 14.6224 14.6224 k = 0.3281 0.2001 0.0000 ( 3316 PWs) bands (ev): -29.3432 -29.3432 -10.6200 -10.6200 -10.2581 -10.2581 -10.2242 -10.2242 0.2402 0.2402 1.7657 1.7657 4.2951 4.2951 4.4917 4.4917 4.5890 4.5890 5.0934 5.0934 5.6299 5.6299 6.3864 6.3864 6.6025 6.6025 6.7683 6.7683 7.0833 7.0833 8.0776 8.0776 9.1197 9.1197 9.6488 9.6488 11.1809 11.1809 11.3465 11.3465 14.2304 14.2304 14.3507 14.3507 14.6436 14.6436 14.6548 14.6548 k = 0.3438 0.2096 0.0000 ( 3316 PWs) bands (ev): -29.3432 -29.3432 -10.6201 -10.6201 -10.2583 -10.2583 -10.2242 -10.2242 0.2643 0.2643 1.7430 1.7430 4.2955 4.2955 4.4923 4.4923 4.5965 4.5965 5.1001 5.1001 5.5861 5.5861 6.3837 6.3837 6.5872 6.5872 6.7586 6.7586 7.0816 7.0816 8.0765 8.0765 9.1190 9.1190 9.6431 9.6431 11.3311 11.3311 11.3320 11.3320 14.2569 14.2569 14.4366 14.4366 14.6747 14.6747 14.7944 14.7944 k = 0.3594 0.2191 0.0000 ( 3320 PWs) bands (ev): -29.3432 -29.3432 -10.6202 -10.6202 -10.2586 -10.2586 -10.2242 -10.2242 0.2875 0.2875 1.7213 1.7213 4.2959 4.2959 4.4928 4.4928 4.6036 4.6036 5.1078 5.1078 5.5433 5.5433 6.3811 6.3811 6.5741 6.5741 6.7496 6.7496 7.0800 7.0800 8.0755 8.0755 9.1185 9.1185 9.6379 9.6379 11.3173 11.3173 11.4842 11.4842 14.2697 14.2697 14.5227 14.5227 14.7136 14.7136 14.9305 14.9305 k = 0.3750 0.2286 0.0000 ( 3336 PWs) bands (ev): -29.3432 -29.3432 -10.6204 -10.6204 -10.2588 -10.2588 -10.2242 -10.2242 0.3096 0.3096 1.7005 1.7005 4.2963 4.2963 4.4933 4.4933 4.6103 4.6103 5.1164 5.1164 5.5018 5.5018 6.3788 6.3788 6.5631 6.5631 6.7413 6.7413 7.0785 7.0785 8.0747 8.0747 9.1181 9.1181 9.6332 9.6332 11.3052 11.3052 11.6369 11.6369 14.2665 14.2665 14.6082 14.6082 14.7445 14.7445 14.8144 14.8144 k = 0.3906 0.2382 0.0000 ( 3328 PWs) bands (ev): -29.3432 -29.3432 -10.6205 -10.6205 -10.2589 -10.2589 -10.2242 -10.2242 0.3302 0.3302 1.6813 1.6813 4.2966 4.2966 4.4938 4.4938 4.6165 4.6165 5.1262 5.1262 5.4620 5.4620 6.3766 6.3766 6.5537 6.5537 6.7339 6.7339 7.0772 7.0772 8.0740 8.0740 9.1177 9.1177 9.6290 9.6290 11.2946 11.2946 11.7892 11.7892 14.2426 14.2426 14.6624 14.6624 14.6924 14.6924 14.8241 14.8241 k = 0.4062 0.2477 0.0000 ( 3336 PWs) bands (ev): -29.3432 -29.3432 -10.6206 -10.6206 -10.2591 -10.2591 -10.2242 -10.2242 0.3490 0.3490 1.6637 1.6637 4.2969 4.2969 4.4942 4.4942 4.6221 4.6221 5.1373 5.1373 5.4241 5.4241 6.3747 6.3747 6.5459 6.5459 6.7273 6.7273 7.0760 7.0760 8.0734 8.0734 9.1175 9.1175 9.6254 9.6254 11.2856 11.2856 11.9398 11.9398 14.1888 14.1888 14.5669 14.5669 14.7738 14.7738 14.8714 14.8714 k = 0.4219 0.2572 0.0000 ( 3344 PWs) bands (ev): -29.3432 -29.3432 -10.6207 -10.6207 -10.2593 -10.2593 -10.2242 -10.2242 0.3657 0.3657 1.6481 1.6481 4.2971 4.2971 4.4945 4.4945 4.6270 4.6270 5.1498 5.1498 5.3883 5.3883 6.3730 6.3730 6.5396 6.5396 6.7216 6.7216 7.0750 7.0750 8.0729 8.0729 9.1173 9.1173 9.6223 9.6223 11.2780 11.2780 12.0869 12.0869 14.1007 14.1007 14.5033 14.5033 14.8506 14.8506 14.9176 14.9176 k = 0.4375 0.2668 0.0000 ( 3344 PWs) bands (ev): -29.3432 -29.3432 -10.6207 -10.6207 -10.2594 -10.2594 -10.2242 -10.2242 0.3798 0.3798 1.6349 1.6349 4.2973 4.2973 4.4948 4.4948 4.6311 4.6311 5.1639 5.1639 5.3548 5.3548 6.3717 6.3717 6.5345 6.5345 6.7169 6.7169 7.0742 7.0742 8.0724 8.0724 9.1172 9.1172 9.6197 9.6197 11.2718 11.2718 12.2272 12.2272 13.9896 13.9896 14.4676 14.4676 14.9204 14.9204 14.9581 14.9581 k = 0.4531 0.2763 0.0000 ( 3344 PWs) bands (ev): -29.3432 -29.3432 -10.6208 -10.6208 -10.2595 -10.2595 -10.2242 -10.2242 0.3912 0.3912 1.6243 1.6243 4.2975 4.2975 4.4950 4.4950 4.6344 4.6344 5.1795 5.1795 5.3238 5.3238 6.3706 6.3706 6.5307 6.5307 6.7132 6.7132 7.0735 7.0735 8.0721 8.0721 9.1171 9.1171 9.6177 9.6177 11.2671 11.2671 12.3558 12.3558 13.8739 13.8739 14.4483 14.4483 14.9802 14.9802 14.9906 14.9906 k = 0.4688 0.2858 0.0000 ( 3360 PWs) bands (ev): -29.3432 -29.3432 -10.6209 -10.6209 -10.2596 -10.2596 -10.2242 -10.2242 0.3995 0.3995 1.6165 1.6165 4.2976 4.2976 4.4951 4.4951 4.6367 4.6367 5.1966 5.1966 5.2956 5.2956 6.3698 6.3698 6.5280 6.5280 6.7106 6.7106 7.0730 7.0730 8.0719 8.0719 9.1171 9.1171 9.6163 9.6163 11.2637 11.2637 12.4641 12.4641 13.7709 13.7709 14.4378 14.4378 15.0138 15.0138 15.0264 15.0264 k = 0.4844 0.2953 0.0000 ( 3368 PWs) bands (ev): -29.3432 -29.3432 -10.6209 -10.6209 -10.2597 -10.2597 -10.2242 -10.2242 0.4046 0.4046 1.6117 1.6117 4.2977 4.2977 4.4952 4.4952 4.6382 4.6382 5.2142 5.2142 5.2712 5.2712 6.3693 6.3693 6.5264 6.5264 6.7090 6.7090 7.0727 7.0727 8.0718 8.0718 9.1171 9.1171 9.6155 9.6155 11.2617 11.2617 12.5393 12.5393 13.6976 13.6976 14.4325 14.4325 15.0275 15.0275 15.0555 15.0556 k = 0.5000 0.3049 0.0000 ( 3364 PWs) bands (ev): -29.3432 -29.3432 -10.6209 -10.6209 -10.2597 -10.2597 -10.2242 -10.2242 0.4063 0.4063 1.6101 1.6101 4.2977 4.2977 4.4953 4.4953 4.6387 4.6387 5.2252 5.2252 5.2580 5.2580 6.3692 6.3692 6.5259 6.5259 6.7084 6.7084 7.0726 7.0726 8.0717 8.0717 9.1171 9.1171 9.6152 9.6152 11.2610 11.2610 12.5667 12.5667 13.6706 13.6706 14.4308 14.4308 15.0320 15.0320 15.0654 15.0655 k = 0.5000 0.3049 0.0000 ( 3364 PWs) bands (ev): -29.3432 -29.3432 -10.6209 -10.6209 -10.2597 -10.2597 -10.2242 -10.2242 0.4063 0.4063 1.6101 1.6101 4.2977 4.2977 4.4953 4.4953 4.6387 4.6387 5.2252 5.2252 5.2580 5.2580 6.3692 6.3692 6.5259 6.5259 6.7084 6.7084 7.0726 7.0726 8.0717 8.0717 9.1171 9.1171 9.6152 9.6152 11.2610 11.2610 12.5667 12.5667 13.6706 13.6706 14.4308 14.4308 15.0320 15.0320 15.0654 15.0655 k = 0.4932 0.3160 0.0130 ( 3364 PWs) bands (ev): -29.3432 -29.3432 -10.6209 -10.6209 -10.2597 -10.2597 -10.2243 -10.2243 0.4079 0.4079 1.6108 1.6108 4.2979 4.2979 4.4958 4.4958 4.6385 4.6385 5.2259 5.2259 5.2585 5.2585 6.3688 6.3688 6.5260 6.5260 6.7082 6.7082 7.0709 7.0709 8.0655 8.0655 9.1147 9.1147 9.6073 9.6073 11.2751 11.2751 12.5687 12.5687 13.6684 13.6684 14.4342 14.4342 15.0291 15.0291 15.0597 15.0601 k = 0.4864 0.3271 0.0261 ( 3362 PWs) bands (ev): -29.3432 -29.3432 -10.6209 -10.6209 -10.2597 -10.2597 -10.2243 -10.2243 0.4126 0.4126 1.6127 1.6127 4.2987 4.2987 4.4975 4.4975 4.6381 4.6381 5.2279 5.2279 5.2598 5.2598 6.3678 6.3678 6.5263 6.5263 6.7075 6.7075 7.0659 7.0659 8.0474 8.0474 9.1048 9.1048 9.5880 9.5880 11.3156 11.3156 12.5748 12.5748 13.6618 13.6618 14.4440 14.4440 15.0170 15.0170 15.0455 15.0458 k = 0.4796 0.3382 0.0391 ( 3354 PWs) bands (ev): -29.3432 -29.3432 -10.6210 -10.6210 -10.2597 -10.2597 -10.2244 -10.2244 0.4205 0.4205 1.6159 1.6159 4.3000 4.3000 4.5003 4.5003 4.6375 4.6375 5.2311 5.2311 5.2622 5.2622 6.3661 6.3661 6.5269 6.5269 6.7063 6.7063 7.0575 7.0575 8.0186 8.0186 9.0791 9.0791 9.5690 9.5690 11.3773 11.3773 12.5850 12.5850 13.6502 13.6502 14.4603 14.4603 14.9873 14.9873 15.0323 15.0324 k = 0.4729 0.3494 0.0521 ( 3342 PWs) bands (ev): -29.3431 -29.3431 -10.6210 -10.6210 -10.2597 -10.2597 -10.2246 -10.2246 0.4315 0.4315 1.6204 1.6204 4.3019 4.3019 4.5042 4.5042 4.6366 4.6366 5.2354 5.2354 5.2657 5.2657 6.3637 6.3637 6.5278 6.5278 6.7046 6.7046 7.0458 7.0458 7.9808 7.9808 9.0284 9.0284 9.5635 9.5635 11.4540 11.4540 12.5993 12.5993 13.6333 13.6333 14.4825 14.4825 14.9419 14.9419 15.0197 15.0208 k = 0.4661 0.3605 0.0652 ( 3342 PWs) bands (ev): -29.3431 -29.3431 -10.6211 -10.6211 -10.2597 -10.2597 -10.2249 -10.2249 0.4456 0.4456 1.6260 1.6260 4.3042 4.3042 4.5091 4.5091 4.6355 4.6355 5.2405 5.2405 5.2703 5.2703 6.3605 6.3605 6.5289 6.5289 6.7024 6.7024 7.0306 7.0306 7.9359 7.9359 8.9498 8.9498 9.5785 9.5785 11.5394 11.5394 12.6179 12.6179 13.6103 13.6103 14.5096 14.5096 14.8871 14.8871 15.0033 15.0036 k = 0.4593 0.3716 0.0782 ( 3346 PWs) bands (ev): -29.3431 -29.3431 -10.6212 -10.6212 -10.2598 -10.2598 -10.2252 -10.2252 0.4628 0.4628 1.6328 1.6328 4.3071 4.3071 4.5152 4.5152 4.6344 4.6344 5.2462 5.2462 5.2764 5.2764 6.3566 6.3566 6.5302 6.5302 6.6997 6.6997 7.0120 7.0120 7.8856 7.8856 8.8474 8.8474 9.6127 9.6127 11.6281 11.6281 12.6407 12.6407 13.5802 13.5802 14.5399 14.5399 14.8287 14.8287 14.9810 14.9810 k = 0.4525 0.3827 0.0912 ( 3336 PWs) bands (ev): -29.3431 -29.3431 -10.6213 -10.6213 -10.2598 -10.2598 -10.2255 -10.2255 0.4830 0.4830 1.6407 1.6407 4.3106 4.3106 4.5223 4.5223 4.6332 4.6332 5.2522 5.2522 5.2841 5.2841 6.3518 6.3518 6.5317 6.5317 6.6965 6.6965 6.9900 6.9900 7.8314 7.8314 8.7284 8.7284 9.6614 9.6614 11.7157 11.7157 12.6675 12.6675 13.5422 13.5422 14.5691 14.5691 14.7728 14.7728 14.9526 14.9526 k = 0.4457 0.3939 0.1043 ( 3332 PWs) bands (ev): -29.3430 -29.3430 -10.6215 -10.6215 -10.2599 -10.2599 -10.2259 -10.2259 0.5064 0.5064 1.6496 1.6496 4.3145 4.3145 4.5304 4.5304 4.6320 4.6320 5.2582 5.2582 5.2934 5.2934 6.3462 6.3462 6.5331 6.5331 6.6927 6.6927 6.9645 6.9645 7.7746 7.7746 8.5986 8.5986 9.7203 9.7203 11.7989 11.7989 12.6977 12.6977 13.4955 13.4955 14.5877 14.5877 14.7277 14.7277 14.9092 14.9092 k = 0.4389 0.4050 0.1173 ( 3332 PWs) bands (ev): -29.3430 -29.3430 -10.6216 -10.6216 -10.2599 -10.2599 -10.2263 -10.2263 0.5327 0.5327 1.6593 1.6593 4.3191 4.3191 4.5395 4.5395 4.6310 4.6310 5.2643 5.2643 5.3043 5.3043 6.3400 6.3400 6.5342 6.5342 6.6884 6.6884 6.9355 6.9355 7.7163 7.7163 8.4626 8.4626 9.7863 9.7863 11.8753 11.8753 12.7306 12.7306 13.4395 13.4395 14.5803 14.5803 14.7010 14.7010 14.8418 14.8418 k = 0.4322 0.4161 0.1303 ( 3330 PWs) bands (ev): -29.3430 -29.3430 -10.6218 -10.6218 -10.2600 -10.2600 -10.2267 -10.2267 0.5620 0.5620 1.6699 1.6699 4.3241 4.3241 4.5496 4.5496 4.6301 4.6301 5.2703 5.2703 5.3165 5.3165 6.3330 6.3330 6.5347 6.5347 6.6835 6.6835 6.9033 6.9033 7.6573 7.6573 8.3237 8.3237 9.8572 9.8572 11.9433 11.9433 12.7649 12.7649 13.3740 13.3740 14.5491 14.5491 14.6707 14.6707 14.7891 14.7891 k = 0.4254 0.4273 0.1434 ( 3326 PWs) bands (ev): -29.3429 -29.3429 -10.6220 -10.6220 -10.2601 -10.2601 -10.2272 -10.2272 0.5942 0.5942 1.6811 1.6811 4.3297 4.3297 4.5607 4.5607 4.6295 4.6295 5.2762 5.2762 5.3299 5.3299 6.3254 6.3254 6.5341 6.5341 6.6777 6.6777 6.8679 6.8679 7.5984 7.5984 8.1844 8.1844 9.9317 9.9317 12.0019 12.0019 12.7990 12.7990 13.2994 13.2994 14.5100 14.5100 14.6149 14.6149 14.7664 14.7664 k = 0.4186 0.4384 0.1564 ( 3334 PWs) bands (ev): -29.3429 -29.3429 -10.6223 -10.6223 -10.2603 -10.2603 -10.2277 -10.2277 0.6292 0.6292 1.6928 1.6928 4.3359 4.3359 4.5728 4.5728 4.6292 4.6292 5.2820 5.2820 5.3444 5.3444 6.3173 6.3173 6.5318 6.5318 6.6704 6.6704 6.8301 6.8301 7.5402 7.5402 8.0469 8.0469 10.0085 10.0085 12.0509 12.0509 12.8311 12.8311 13.2164 13.2164 14.4695 14.4695 14.5539 14.5539 14.7509 14.7509 k = 0.4118 0.4495 0.1694 ( 3338 PWs) bands (ev): -29.3428 -29.3428 -10.6225 -10.6225 -10.2604 -10.2604 -10.2282 -10.2282 0.6671 0.6671 1.7049 1.7049 4.3426 4.3426 4.5857 4.5857 4.6294 4.6294 5.2877 5.2877 5.3597 5.3597 6.3087 6.3087 6.5271 6.5271 6.6600 6.6600 6.7914 6.7914 7.4831 7.4831 7.9131 7.9131 10.0870 10.0870 12.0902 12.0902 12.8595 12.8595 13.1260 13.1260 14.4287 14.4287 14.5020 14.5020 14.7309 14.7309 k = 0.4050 0.4606 0.1824 ( 3335 PWs) bands (ev): -29.3428 -29.3428 -10.6227 -10.6227 -10.2606 -10.2606 -10.2287 -10.2287 0.7077 0.7077 1.7173 1.7173 4.3498 4.3498 4.5996 4.5996 4.6300 4.6300 5.2930 5.2930 5.3758 5.3758 6.2997 6.2997 6.5195 6.5195 6.6429 6.6429 6.7555 6.7555 7.4277 7.4277 7.7849 7.7849 10.1664 10.1664 12.1198 12.1198 12.8832 12.8832 13.0294 13.0294 14.3894 14.3894 14.4616 14.4616 14.7040 14.7040 k = 0.3982 0.4718 0.1955 ( 3331 PWs) bands (ev): -29.3427 -29.3427 -10.6230 -10.6230 -10.2608 -10.2608 -10.2292 -10.2292 0.7510 0.7510 1.7296 1.7296 4.3576 4.3576 4.6143 4.6143 4.6312 4.6312 5.2979 5.2979 5.3925 5.3925 6.2901 6.2901 6.5082 6.5082 6.6133 6.6133 6.7277 6.7277 7.3742 7.3742 7.6643 7.6643 10.2463 10.2463 12.1395 12.1395 12.9006 12.9006 12.9287 12.9287 14.3548 14.3548 14.4301 14.4301 14.6716 14.6716 k = 0.3915 0.4829 0.2085 ( 3339 PWs) bands (ev): -29.3427 -29.3427 -10.6233 -10.6233 -10.2610 -10.2610 -10.2297 -10.2297 0.7969 0.7969 1.7417 1.7417 4.3659 4.3659 4.6293 4.6293 4.6335 4.6335 5.3020 5.3020 5.4097 5.4097 6.2797 6.2797 6.4927 6.4927 6.5698 6.5698 6.7096 6.7096 7.3229 7.3229 7.5535 7.5535 10.3262 10.3262 12.1490 12.1490 12.8206 12.8206 12.9170 12.9170 14.3260 14.3260 14.4055 14.4055 14.6354 14.6354 k = 0.3847 0.4940 0.2215 ( 3341 PWs) bands (ev): -29.3426 -29.3426 -10.6235 -10.6235 -10.2613 -10.2613 -10.2301 -10.2301 0.8453 0.8453 1.7534 1.7534 4.3749 4.3749 4.6348 4.6348 4.6468 4.6468 5.3052 5.3052 5.4272 5.4272 6.2675 6.2675 6.4715 6.4715 6.5174 6.5174 6.6972 6.6972 7.2734 7.2734 7.4550 7.4550 10.4059 10.4059 12.1480 12.1480 12.7114 12.7114 12.9281 12.9281 14.3005 14.3005 14.3889 14.3889 14.5958 14.5958 k = 0.3779 0.5051 0.2346 ( 3333 PWs) bands (ev): -29.3426 -29.3426 -10.6238 -10.6238 -10.2615 -10.2615 -10.2306 -10.2306 0.8961 0.8961 1.7645 1.7645 4.3844 4.3844 4.6379 4.6379 4.6639 4.6639 5.3071 5.3071 5.4451 5.4451 6.2513 6.2513 6.4395 6.4395 6.4674 6.4674 6.6862 6.6862 7.2245 7.2245 7.3721 7.3721 10.4849 10.4849 12.1363 12.1363 12.5996 12.5996 12.9383 12.9383 14.2732 14.2732 14.3826 14.3826 14.5530 14.5530 k = 0.3711 0.5163 0.2476 ( 3333 PWs) bands (ev): -29.3425 -29.3425 -10.6241 -10.6241 -10.2618 -10.2618 -10.2310 -10.2310 0.9491 0.9491 1.7747 1.7747 4.3945 4.3945 4.6415 4.6415 4.6819 4.6819 5.3074 5.3074 5.4631 5.4631 6.2262 6.2262 6.3928 6.3928 6.4310 6.4310 6.6742 6.6742 7.1733 7.1733 7.3089 7.3089 10.5631 10.5631 12.1139 12.1139 12.4859 12.4859 12.9493 12.9493 14.2408 14.2408 14.3855 14.3855 14.5090 14.5090 k = 0.3643 0.5274 0.2606 ( 3325 PWs) bands (ev): -29.3425 -29.3425 -10.6243 -10.6243 -10.2620 -10.2620 -10.2314 -10.2314 1.0043 1.0043 1.7836 1.7836 4.4052 4.4052 4.6458 4.6458 4.7005 4.7005 5.3056 5.3056 5.4810 5.4810 6.1846 6.1846 6.3521 6.3521 6.3974 6.3974 6.6599 6.6599 7.1185 7.1185 7.2671 7.2671 10.6402 10.6402 12.0815 12.0815 12.3708 12.3708 12.9627 12.9627 14.2028 14.2028 14.3869 14.3869 14.4742 14.4742 k = 0.3575 0.5385 0.2737 ( 3327 PWs) bands (ev): -29.3424 -29.3424 -10.6246 -10.6246 -10.2624 -10.2624 -10.2318 -10.2318 1.0615 1.0615 1.7911 1.7911 4.4167 4.4167 4.6508 4.6508 4.7198 4.7198 5.3014 5.3014 5.4986 5.4986 6.1243 6.1243 6.3269 6.3269 6.3617 6.3617 6.6429 6.6429 7.0621 7.0621 7.2439 7.2439 10.7160 10.7160 12.0401 12.0401 12.2549 12.2549 12.9794 12.9794 14.1593 14.1593 14.3617 14.3617 14.4728 14.4728 k = 0.3507 0.5497 0.2867 ( 3325 PWs) bands (ev): -29.3424 -29.3424 -10.6249 -10.6249 -10.2627 -10.2627 -10.2321 -10.2321 1.1205 1.1205 1.7968 1.7968 4.4288 4.4288 4.6564 4.6564 4.7395 4.7395 5.2941 5.2941 5.5155 5.5155 6.0527 6.0527 6.3116 6.3116 6.3256 6.3256 6.6234 6.6234 7.0067 7.0067 7.2353 7.2353 10.7903 10.7903 11.9911 11.9911 12.1385 12.1385 12.9998 12.9998 14.1100 14.1100 14.3159 14.3159 14.4994 14.4994 k = 0.3440 0.5608 0.2997 ( 3321 PWs) bands (ev): -29.3423 -29.3423 -10.6251 -10.6251 -10.2630 -10.2630 -10.2324 -10.2324 1.1812 1.1812 1.8005 1.8005 4.4417 4.4417 4.6626 4.6626 4.7595 4.7595 5.2830 5.2830 5.5309 5.5309 5.9779 5.9779 6.2803 6.2803 6.3105 6.3105 6.6019 6.6019 6.9537 6.9537 7.2380 7.2380 10.8630 10.8630 11.9358 11.9358 12.0222 12.0222 13.0236 13.0236 14.0546 14.0546 14.2662 14.2662 14.5376 14.5376 k = 0.3372 0.5719 0.3128 ( 3317 PWs) bands (ev): -29.3423 -29.3423 -10.6254 -10.6254 -10.2633 -10.2633 -10.2327 -10.2327 1.2434 1.2434 1.8017 1.8017 4.4555 4.4555 4.6694 4.6694 4.7797 4.7797 5.2671 5.2671 5.5438 5.5438 5.9060 5.9060 6.2397 6.2397 6.3078 6.3078 6.5791 6.5791 6.9033 6.9033 7.2497 7.2497 10.9340 10.9340 11.8736 11.8736 11.9083 11.9083 13.0506 13.0506 13.9928 13.9928 14.2186 14.2186 14.5820 14.5820 k = 0.3304 0.5830 0.3258 ( 3313 PWs) bands (ev): -29.3422 -29.3422 -10.6256 -10.6256 -10.2636 -10.2636 -10.2329 -10.2329 1.3068 1.3068 1.8003 1.8003 4.4701 4.4701 4.6766 4.6766 4.7998 4.7998 5.2454 5.2454 5.5528 5.5528 5.8421 5.8421 6.1989 6.1989 6.3082 6.3082 6.5553 6.5553 6.8554 6.8554 7.2688 7.2688 11.0032 11.0032 11.7822 11.7822 11.8208 11.8208 13.0802 13.0802 13.9253 13.9253 14.1749 14.1749 14.6306 14.6306 k = 0.3236 0.5942 0.3388 ( 3317 PWs) bands (ev): -29.3422 -29.3422 -10.6259 -10.6259 -10.2639 -10.2639 -10.2331 -10.2331 1.3712 1.3712 1.7959 1.7959 4.4857 4.4857 4.6841 4.6841 4.8197 4.8197 5.2167 5.2167 5.5560 5.5560 5.7906 5.7906 6.1598 6.1598 6.3102 6.3102 6.5314 6.5314 6.8099 6.8099 7.2941 7.2941 11.0703 11.0703 11.6683 11.6683 11.7545 11.7545 13.1115 13.1115 13.8531 13.8531 14.1354 14.1354 14.6821 14.6821 k = 0.3168 0.6053 0.3519 ( 3319 PWs) bands (ev): -29.3421 -29.3421 -10.6261 -10.6261 -10.2642 -10.2642 -10.2334 -10.2334 1.4364 1.4364 1.7881 1.7881 4.5024 4.5024 4.6918 4.6918 4.8390 4.8390 5.1802 5.1802 5.5526 5.5526 5.7539 5.7539 6.1238 6.1238 6.3131 6.3131 6.5077 6.5077 6.7668 6.7668 7.3245 7.3245 11.1352 11.1352 11.5532 11.5532 11.6893 11.6893 13.1435 13.1435 13.7779 13.7779 14.1000 14.1000 14.7360 14.7360 k = 0.3100 0.6164 0.3649 ( 3319 PWs) bands (ev): -29.3421 -29.3421 -10.6263 -10.6263 -10.2645 -10.2645 -10.2335 -10.2335 1.5021 1.5021 1.7768 1.7768 4.5201 4.5201 4.6994 4.6994 4.8574 4.8574 5.1364 5.1364 5.5441 5.5441 5.7303 5.7303 6.0929 6.0929 6.3157 6.3157 6.4852 6.4852 6.7260 6.7260 7.3592 7.3592 11.1970 11.1970 11.4393 11.4393 11.6247 11.6247 13.1743 13.1743 13.7022 13.7022 14.0684 14.0684 14.7915 14.7915 k = 0.3033 0.6275 0.3779 ( 3319 PWs) bands (ev): -29.3421 -29.3421 -10.6265 -10.6265 -10.2647 -10.2647 -10.2337 -10.2337 1.5679 1.5679 1.7618 1.7618 4.5389 4.5389 4.7066 4.7066 4.8747 4.8747 5.0866 5.0866 5.5345 5.5345 5.7146 5.7146 6.0687 6.0687 6.3170 6.3170 6.4648 6.4648 6.6878 6.6878 7.3978 7.3978 11.2480 11.2480 11.3346 11.3346 11.5612 11.5612 13.2008 13.2008 13.6294 13.6294 14.0401 14.0401 14.8482 14.8482 k = 0.2965 0.6387 0.3910 ( 3323 PWs) bands (ev): -29.3420 -29.3420 -10.6266 -10.6266 -10.2650 -10.2650 -10.2338 -10.2338 1.6334 1.6334 1.7428 1.7428 4.5590 4.5590 4.7128 4.7128 4.8907 4.8907 5.0334 5.0334 5.5269 5.5269 5.7014 5.7014 6.0527 6.0527 6.3155 6.3155 6.4480 6.4480 6.6524 6.6524 7.4396 7.4396 11.1960 11.1960 11.3310 11.3310 11.5000 11.5000 13.2168 13.2168 13.5662 13.5662 14.0150 14.0150 14.9057 14.9057 k = 0.2965 0.6387 0.3910 ( 3323 PWs) bands (ev): -29.3420 -29.3420 -10.6266 -10.6266 -10.2650 -10.2650 -10.2338 -10.2338 1.6334 1.6334 1.7428 1.7428 4.5590 4.5590 4.7128 4.7128 4.8907 4.8907 5.0334 5.0334 5.5269 5.5269 5.7014 5.7014 6.0527 6.0527 6.3155 6.3155 6.4480 6.4480 6.6524 6.6524 7.4396 7.4396 11.1960 11.1960 11.3310 11.3310 11.5000 11.5000 13.2168 13.2168 13.5662 13.5662 14.0150 14.0150 14.9057 14.9057 k = 0.2800 0.6344 0.3959 ( 3321 PWs) bands (ev): -29.3420 -29.3420 -10.6267 -10.6267 -10.2651 -10.2651 -10.2338 -10.2338 1.6519 1.6519 1.7408 1.7408 4.5667 4.5667 4.7150 4.7150 4.8962 4.8962 5.0130 5.0130 5.5243 5.5243 5.6973 5.6973 6.0489 6.0489 6.3139 6.3139 6.4428 6.4428 6.6395 6.6395 7.4581 7.4581 11.1177 11.1177 11.3495 11.3495 11.5171 11.5171 13.2183 13.2183 13.5473 13.5473 14.0063 14.0063 14.8859 14.8859 k = 0.2635 0.6302 0.4009 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6267 -10.6267 -10.2651 -10.2651 -10.2339 -10.2339 1.6553 1.6553 1.7532 1.7532 4.5739 4.5739 4.7172 4.7172 4.9013 4.9013 4.9932 4.9932 5.5211 5.5211 5.6947 5.6947 6.0463 6.0463 6.3115 6.3115 6.4385 6.4385 6.6267 6.6267 7.4809 7.4809 10.9961 10.9961 11.3712 11.3712 11.5780 11.5780 13.2167 13.2167 13.5333 13.5333 13.9980 13.9980 14.8220 14.8221 k = 0.2471 0.6260 0.4058 ( 3323 PWs) bands (ev): -29.3420 -29.3420 -10.6268 -10.6268 -10.2652 -10.2652 -10.2339 -10.2339 1.6480 1.6480 1.7755 1.7755 4.5805 4.5805 4.7195 4.7195 4.9058 4.9058 4.9743 4.9743 5.5174 5.5174 5.6935 5.6935 6.0448 6.0448 6.3084 6.3084 6.4348 6.4348 6.6140 6.6140 7.5077 7.5077 10.8622 10.8622 11.3939 11.3939 11.6539 11.6539 13.2112 13.2112 13.5251 13.5251 13.9903 13.9903 14.7417 14.7417 k = 0.2306 0.6217 0.4108 ( 3324 PWs) bands (ev): -29.3420 -29.3420 -10.6268 -10.6268 -10.2652 -10.2652 -10.2339 -10.2339 1.6364 1.6364 1.8011 1.8011 4.5866 4.5866 4.7217 4.7217 4.9097 4.9097 4.9568 4.9568 5.5132 5.5132 5.6934 5.6934 6.0444 6.0444 6.3048 6.3048 6.4317 6.4317 6.6012 6.6012 7.5387 7.5387 10.7257 10.7257 11.4168 11.4168 11.7363 11.7363 13.2017 13.2017 13.5232 13.5232 13.9830 13.9830 14.6539 14.6539 k = 0.2141 0.6175 0.4158 ( 3330 PWs) bands (ev): -29.3420 -29.3420 -10.6269 -10.6269 -10.2653 -10.2653 -10.2340 -10.2340 1.6237 1.6237 1.8271 1.8271 4.5920 4.5920 4.7238 4.7238 4.9127 4.9127 4.9412 4.9412 5.5087 5.5087 5.6943 5.6943 6.0449 6.0449 6.3009 6.3009 6.4289 6.4289 6.5886 6.5886 7.5735 7.5735 10.5900 10.5900 11.4394 11.4394 11.8222 11.8222 13.1889 13.1889 13.5270 13.5270 13.9761 13.9761 14.5626 14.5626 k = 0.1976 0.6133 0.4207 ( 3325 PWs) bands (ev): -29.3420 -29.3420 -10.6269 -10.6269 -10.2653 -10.2653 -10.2340 -10.2340 1.6108 1.6108 1.8523 1.8523 4.5966 4.5966 4.7258 4.7258 4.9137 4.9137 4.9288 4.9288 5.5039 5.5039 5.6959 5.6959 6.0462 6.0462 6.2967 6.2967 6.4265 6.4265 6.5760 6.5760 7.6121 7.6121 10.4568 10.4568 11.4614 11.4614 11.9103 11.9103 13.1735 13.1735 13.5355 13.5355 13.9696 13.9696 14.4697 14.4697 k = 0.1812 0.6090 0.4257 ( 3321 PWs) bands (ev): -29.3420 -29.3420 -10.6269 -10.6269 -10.2653 -10.2653 -10.2340 -10.2340 1.5985 1.5985 1.8760 1.8760 4.6004 4.6004 4.7275 4.7275 4.9087 4.9087 4.9238 4.9238 5.4991 5.4991 5.6979 5.6979 6.0483 6.0483 6.2924 6.2924 6.4244 6.4244 6.5635 6.5635 7.6539 7.6539 10.3269 10.3269 11.4827 11.4827 11.9999 11.9999 13.1568 13.1568 13.5476 13.5476 13.9632 13.9632 14.3767 14.3767 k = 0.1647 0.6048 0.4306 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6269 -10.6269 -10.2654 -10.2654 -10.2340 -10.2340 1.5869 1.5869 1.8981 1.8981 4.6033 4.6033 4.7290 4.7290 4.9000 4.9000 4.9242 4.9242 5.4943 5.4943 5.7003 5.7003 6.0510 6.0510 6.2880 6.2880 6.4227 6.4227 6.5513 6.5513 7.6987 7.6987 10.2013 10.2013 11.5030 11.5030 12.0904 12.0904 13.1397 13.1397 13.5619 13.5619 13.9565 13.9565 14.2848 14.2848 k = 0.1482 0.6006 0.4356 ( 3321 PWs) bands (ev): -29.3420 -29.3420 -10.6269 -10.6269 -10.2654 -10.2654 -10.2340 -10.2340 1.5761 1.5761 1.9183 1.9183 4.6054 4.6054 4.7303 4.7303 4.8920 4.8920 4.9253 4.9253 5.4897 5.4897 5.7028 5.7028 6.0542 6.0542 6.2837 6.2837 6.4214 6.4214 6.5393 6.5393 7.7457 7.7457 10.0808 10.0808 11.5223 11.5223 12.1812 12.1812 13.1231 13.1231 13.5772 13.5772 13.9485 13.9485 14.1958 14.1958 k = 0.1318 0.5963 0.4406 ( 3323 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2654 -10.2654 -10.2340 -10.2340 1.5663 1.5663 1.9365 1.9365 4.6066 4.6066 4.7314 4.7314 4.8855 4.8855 4.9263 4.9263 5.4852 5.4852 5.7054 5.7054 6.0578 6.0578 6.2795 6.2795 6.4205 6.4205 6.5276 6.5276 7.7944 7.7944 9.9663 9.9663 11.5402 11.5402 12.2717 12.2717 13.1079 13.1079 13.5920 13.5920 13.9364 13.9364 14.1135 14.1135 k = 0.1153 0.5921 0.4455 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2654 -10.2654 -10.2340 -10.2340 1.5576 1.5576 1.9527 1.9527 4.6071 4.6071 4.7323 4.7323 4.8807 4.8807 4.9271 4.9271 5.4811 5.4811 5.7079 5.7079 6.0615 6.0615 6.2755 6.2755 6.4202 6.4202 6.5164 6.5164 7.8437 7.8437 9.8586 9.8586 11.5566 11.5566 12.3611 12.3611 13.0948 13.0948 13.6045 13.6045 13.9124 13.9124 14.0469 14.0469 k = 0.0988 0.5879 0.4505 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2654 -10.2654 -10.2340 -10.2340 1.5500 1.5500 1.9669 1.9669 4.6071 4.6071 4.7331 4.7331 4.8772 4.8772 4.9276 4.9276 5.4774 5.4774 5.7102 5.7102 6.0653 6.0653 6.2717 6.2717 6.4205 6.4205 6.5057 6.5057 7.8925 7.8925 9.7592 9.7592 11.5712 11.5712 12.4483 12.4483 13.0845 13.0845 13.6121 13.6121 13.8674 13.8674 14.0080 14.0080 k = 0.0824 0.5836 0.4554 ( 3315 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2654 -10.2654 -10.2340 -10.2340 1.5435 1.5435 1.9789 1.9789 4.6066 4.6066 4.7338 4.7338 4.8749 4.8749 4.9279 4.9279 5.4741 5.4741 5.7123 5.7123 6.0689 6.0689 6.2682 6.2682 6.4215 6.4215 6.4956 6.4956 7.9393 7.9393 9.6696 9.6696 11.5840 11.5840 12.5315 12.5315 13.0778 13.0779 13.6093 13.6093 13.8119 13.8119 13.9916 13.9916 k = 0.0659 0.5794 0.4604 ( 3318 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2654 -10.2654 -10.2341 -10.2341 1.5381 1.5381 1.9887 1.9887 4.6059 4.6059 4.7345 4.7345 4.8735 4.8735 4.9281 4.9281 5.4714 5.4714 5.7140 5.7140 6.0722 6.0722 6.2651 6.2651 6.4230 6.4230 6.4864 6.4864 7.9823 7.9823 9.5914 9.5914 11.5947 11.5947 12.6083 12.6083 13.0760 13.0760 13.5878 13.5878 13.7677 13.7677 13.9851 13.9851 k = 0.0494 0.5752 0.4654 ( 3322 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2655 -10.2655 -10.2341 -10.2341 1.5339 1.5339 1.9964 1.9964 4.6051 4.6051 4.7350 4.7350 4.8726 4.8726 4.9281 4.9281 5.4692 5.4692 5.7155 5.7155 6.0750 6.0750 6.2626 6.2626 6.4250 6.4250 6.4783 6.4783 8.0194 8.0194 9.5270 9.5270 11.6031 11.6031 12.6751 12.6751 13.0801 13.0801 13.5452 13.5452 13.7450 13.7450 13.9826 13.9826 k = 0.0329 0.5709 0.4703 ( 3319 PWs) bands (ev): -29.3420 -29.3420 -10.6270 -10.6270 -10.2655 -10.2655 -10.2341 -10.2341 1.5309 1.5309 2.0019 2.0019 4.6045 4.6045 4.7354 4.7354 4.8722 4.8722 4.9280 4.9280 5.4676 5.4676 5.7165 5.7165 6.0771 6.0771 6.2606 6.2606 6.4272 6.4272 6.4717 6.4717 8.0483 8.0483 9.4786 9.4786 11.6093 11.6093 12.7272 12.7272 13.0901 13.0901 13.4947 13.4947 13.7369 13.7369 13.9818 13.9818 k = 0.0165 0.5667 0.4753 ( 3316 PWs) bands (ev): -29.3419 -29.3419 -10.6270 -10.6270 -10.2654 -10.2654 -10.2341 -10.2341 1.5291 1.5291 2.0052 2.0052 4.6040 4.6040 4.7356 4.7356 4.8720 4.8720 4.9280 4.9280 5.4666 5.4666 5.7171 5.7171 6.0784 6.0784 6.2595 6.2595 6.4291 6.4291 6.4672 6.4672 8.0667 8.0667 9.4484 9.4484 11.6130 11.6130 12.7602 12.7602 13.1025 13.1025 13.4535 13.4535 13.7346 13.7346 13.9817 13.9817 k = 0.0000 0.5625 0.4802 ( 3314 PWs) bands (ev): -29.3419 -29.3419 -10.6270 -10.6270 -10.2654 -10.2654 -10.2341 -10.2341 1.5285 1.5285 2.0063 2.0063 4.6039 4.6039 4.7357 4.7357 4.8720 4.8720 4.9279 4.9279 5.4663 5.4663 5.7173 5.7173 6.0789 6.0789 6.2591 6.2591 6.4298 6.4298 6.4656 6.4656 8.0730 8.0730 9.4382 9.4382 11.6143 11.6143 12.7714 12.7714 13.1084 13.1084 13.4374 13.4374 13.7343 13.7343 13.9817 13.9817 k = 0.0000 0.5625 0.4802 ( 3314 PWs) bands (ev): -29.3419 -29.3419 -10.6270 -10.6270 -10.2654 -10.2654 -10.2341 -10.2341 1.5285 1.5285 2.0063 2.0063 4.6039 4.6039 4.7357 4.7357 4.8720 4.8720 4.9279 4.9279 5.4663 5.4663 5.7173 5.7173 6.0789 6.0789 6.2591 6.2591 6.4298 6.4298 6.4656 6.4656 8.0730 8.0730 9.4382 9.4382 11.6143 11.6143 12.7714 12.7714 13.1084 13.1084 13.4374 13.4374 13.7343 13.7343 13.9817 13.9817 k = 0.0068 0.5514 0.4932 ( 3318 PWs) bands (ev): -29.3419 -29.3419 -10.6270 -10.6270 -10.2654 -10.2654 -10.2341 -10.2341 1.5294 1.5294 2.0075 2.0075 4.5990 4.5990 4.7340 4.7340 4.8670 4.8670 4.9350 4.9350 5.4672 5.4672 5.7182 5.7182 6.0795 6.0795 6.2618 6.2618 6.4295 6.4295 6.4676 6.4676 8.0728 8.0728 9.4385 9.4385 11.6032 11.6032 12.7601 12.7601 13.0657 13.0657 13.4402 13.4402 13.7698 13.7698 13.9983 13.9983 k = 0.0135 0.5403 0.5062 ( 3318 PWs) bands (ev): -29.3419 -29.3419 -10.6270 -10.6270 -10.2654 -10.2654 -10.2342 -10.2342 1.5322 1.5322 2.0112 2.0112 4.5852 4.5852 4.7272 4.7272 4.8587 4.8587 4.9505 4.9505 5.4700 5.4700 5.7205 5.7205 6.0816 6.0816 6.2698 6.2698 6.4289 6.4289 6.4734 6.4734 8.0720 8.0720 9.4395 9.4395 11.5709 11.5709 12.7218 12.7218 12.9687 12.9687 13.4454 13.4454 13.8438 13.8438 14.0569 14.0569 k = 0.0203 0.5292 0.5192 ( 3318 PWs) bands (ev): -29.3419 -29.3419 -10.6271 -10.6271 -10.2654 -10.2654 -10.2344 -10.2344 1.5367 1.5367 2.0173 2.0173 4.5645 4.5645 4.7126 4.7126 4.8541 4.8541 4.9683 4.9683 5.4745 5.4745 5.7241 5.7241 6.0858 6.0858 6.2824 6.2824 6.4287 6.4287 6.4821 6.4821 8.0707 8.0707 9.4411 9.4411 11.5194 11.5194 12.6448 12.6448 12.8647 12.8647 13.4511 13.4511 13.9127 13.9127 14.1679 14.1679 k = 0.0270 0.5181 0.5321 ( 3324 PWs) bands (ev): -29.3419 -29.3419 -10.6272 -10.6272 -10.2653 -10.2653 -10.2347 -10.2347 1.5431 1.5431 2.0258 2.0258 4.5389 4.5389 4.6896 4.6896 4.8546 4.8546 4.9861 4.9861 5.4808 5.4808 5.7284 5.7284 6.0928 6.0928 6.2990 6.2990 6.4296 6.4296 6.4933 6.4933 8.0689 8.0689 9.4434 9.4434 11.4516 11.4516 12.5243 12.5243 12.7762 12.7762 13.4577 13.4577 13.9742 13.9742 14.3154 14.3154 k = 0.0338 0.5070 0.5451 ( 3320 PWs) bands (ev): -29.3419 -29.3419 -10.6272 -10.6272 -10.2652 -10.2652 -10.2350 -10.2350 1.5513 1.5513 2.0368 2.0368 4.5098 4.5098 4.6601 4.6601 4.8583 4.8583 5.0032 5.0032 5.4888 5.4888 5.7328 5.7328 6.1032 6.1032 6.3188 6.3188 6.4317 6.4317 6.5065 6.5065 8.0667 8.0667 9.4462 9.4462 11.3706 11.3706 12.3760 12.3760 12.6957 12.6957 13.4654 13.4654 14.0391 14.0391 14.4797 14.4797 k = 0.0405 0.4960 0.5581 ( 3316 PWs) bands (ev): -29.3419 -29.3419 -10.6273 -10.6273 -10.2651 -10.2651 -10.2354 -10.2354 1.5613 1.5613 2.0500 2.0500 4.4780 4.4780 4.6261 4.6261 4.8631 4.8631 5.0195 5.0195 5.4982 5.4982 5.7372 5.7372 6.1175 6.1175 6.3411 6.3411 6.4353 6.4353 6.5215 6.5215 8.0642 8.0642 9.4495 9.4495 11.2792 11.2792 12.2158 12.2158 12.6128 12.6128 13.4741 13.4741 14.1116 14.1116 14.6503 14.6503 k = 0.0473 0.4849 0.5711 ( 3318 PWs) bands (ev): -29.3418 -29.3418 -10.6275 -10.6275 -10.2650 -10.2650 -10.2359 -10.2359 1.5729 1.5729 2.0656 2.0656 4.4443 4.4443 4.5890 4.5890 4.8677 4.8677 5.0349 5.0349 5.5089 5.5089 5.7412 5.7412 6.1357 6.1357 6.3653 6.3653 6.4404 6.4404 6.5382 6.5382 8.0614 8.0614 9.4532 9.4532 11.1801 11.1801 12.0512 12.0512 12.5240 12.5240 13.4839 13.4839 14.1916 14.1916 14.8218 14.8218 k = 0.0541 0.4738 0.5841 ( 3318 PWs) bands (ev): -29.3418 -29.3418 -10.6276 -10.6276 -10.2649 -10.2649 -10.2364 -10.2364 1.5863 1.5863 2.0835 2.0835 4.4091 4.4091 4.5498 4.5498 4.8717 4.8717 5.0495 5.0495 5.5204 5.5204 5.7448 5.7448 6.1575 6.1575 6.3910 6.3910 6.4470 6.4470 6.5565 6.5565 8.0584 8.0584 9.4572 9.4572 11.0753 11.0753 11.8857 11.8857 12.4290 12.4290 13.4946 13.4946 14.2776 14.2776 14.9900 14.9900 k = 0.0608 0.4627 0.5970 ( 3320 PWs) bands (ev): -29.3418 -29.3418 -10.6277 -10.6277 -10.2648 -10.2648 -10.2371 -10.2371 1.6012 1.6012 2.1036 2.1036 4.3727 4.3727 4.5091 4.5091 4.8748 4.8748 5.0634 5.0634 5.5324 5.5324 5.7481 5.7481 6.1825 6.1825 6.4177 6.4177 6.4551 6.4551 6.5762 6.5762 8.0554 8.0554 9.4614 9.4614 10.9667 10.9667 11.7212 11.7212 12.3288 12.3288 13.5061 13.5061 14.3677 14.3677 15.1493 15.1493 k = 0.0676 0.4516 0.6100 ( 3316 PWs) bands (ev): -29.3417 -29.3417 -10.6279 -10.6279 -10.2646 -10.2646 -10.2377 -10.2377 1.6177 1.6177 2.1258 2.1258 4.3354 4.3354 4.4674 4.4674 4.8771 4.8771 5.0766 5.0766 5.5447 5.5447 5.7514 5.7514 6.2101 6.2101 6.4450 6.4450 6.4648 6.4648 6.5972 6.5972 8.0526 8.0526 9.4656 9.4656 10.8557 10.8557 11.5588 11.5588 12.2243 12.2243 13.5182 13.5182 14.4601 14.4601 15.2885 15.2885 k = 0.0743 0.4406 0.6230 ( 3322 PWs) bands (ev): -29.3417 -29.3417 -10.6281 -10.6281 -10.2645 -10.2645 -10.2384 -10.2384 1.6357 1.6357 2.1501 2.1501 4.2974 4.2974 4.4251 4.4251 4.8789 4.8789 5.0891 5.0891 5.5569 5.5569 5.7548 5.7548 6.2395 6.2395 6.4715 6.4715 6.4771 6.4771 6.6195 6.6195 8.0499 8.0499 9.4695 9.4695 10.7436 10.7436 11.3995 11.3995 12.1167 12.1167 13.5307 13.5307 14.5531 14.5531 15.3995 15.3995 k = 0.0811 0.4295 0.6360 ( 3330 PWs) bands (ev): -29.3417 -29.3417 -10.6283 -10.6283 -10.2643 -10.2643 -10.2392 -10.2392 1.6551 1.6551 2.1763 2.1763 4.2589 4.2589 4.3823 4.3823 4.8804 4.8804 5.1011 5.1011 5.5687 5.5687 5.7585 5.7585 6.2701 6.2701 6.4871 6.4871 6.5019 6.5019 6.6429 6.6429 8.0477 8.0477 9.4729 9.4729 10.6315 10.6315 11.2440 11.2440 12.0069 12.0069 13.5434 13.5434 14.6455 14.6455 15.4970 15.4971 k = 0.0878 0.4184 0.6490 ( 3328 PWs) bands (ev): -29.3416 -29.3416 -10.6285 -10.6285 -10.2641 -10.2641 -10.2400 -10.2400 1.6758 1.6758 2.2045 2.2045 4.2200 4.2200 4.3393 4.3393 4.8821 4.8821 5.1126 5.1126 5.5800 5.5800 5.7625 5.7625 6.3011 6.3011 6.5008 6.5008 6.5299 6.5299 6.6673 6.6673 8.0461 8.0461 9.4753 9.4753 10.5205 10.5205 11.0928 11.0928 11.8958 11.8958 13.5561 13.5561 14.7362 14.7362 15.5884 15.5884 k = 0.0946 0.4073 0.6619 ( 3324 PWs) bands (ev): -29.3416 -29.3416 -10.6287 -10.6287 -10.2639 -10.2639 -10.2408 -10.2408 1.6978 1.6978 2.2344 2.2344 4.1810 4.1810 4.2964 4.2964 4.8841 4.8841 5.1237 5.1237 5.5906 5.5906 5.7668 5.7668 6.3317 6.3317 6.5153 6.5153 6.5580 6.5580 6.6924 6.6924 8.0453 8.0453 9.4762 9.4762 10.4116 10.4116 10.9465 10.9465 11.7839 11.7839 13.5684 13.5684 14.8243 14.8243 15.6666 15.6683 k = 0.1014 0.3962 0.6749 ( 3326 PWs) bands (ev): -29.3415 -29.3415 -10.6289 -10.6289 -10.2638 -10.2638 -10.2416 -10.2416 1.7208 1.7208 2.2660 2.2660 4.1419 4.1419 4.2536 4.2536 4.8867 4.8867 5.1345 5.1345 5.6004 5.6004 5.7713 5.7713 6.3613 6.3613 6.5307 6.5307 6.5862 6.5862 6.7182 6.7182 8.0456 8.0456 9.4748 9.4748 10.3056 10.3056 10.8059 10.8059 11.6718 11.6718 13.5800 13.5800 14.9093 14.9093 15.7022 15.7022 k = 0.1081 0.3851 0.6879 ( 3330 PWs) bands (ev): -29.3415 -29.3415 -10.6292 -10.6292 -10.2636 -10.2636 -10.2425 -10.2425 1.7449 1.7449 2.2992 2.2992 4.1028 4.1028 4.2111 4.2111 4.8902 4.8902 5.1451 5.1451 5.6093 5.6093 5.7759 5.7759 6.3894 6.3894 6.5466 6.5466 6.6143 6.6143 6.7445 6.7445 8.0471 8.0471 9.4703 9.4703 10.2036 10.2036 10.6718 10.6718 11.5602 11.5602 13.5906 13.5906 14.9907 14.9907 15.6933 15.6933 k = 0.1149 0.3741 0.7009 ( 3330 PWs) bands (ev): -29.3414 -29.3414 -10.6294 -10.6294 -10.2634 -10.2634 -10.2433 -10.2433 1.7699 1.7699 2.3337 2.3337 4.0639 4.0639 4.1690 4.1690 4.8948 4.8948 5.1557 5.1557 5.6172 5.6172 5.7804 5.7804 6.4153 6.4153 6.5628 6.5628 6.6425 6.6425 6.7710 6.7710 8.0502 8.0502 9.4614 9.4614 10.1066 10.1066 10.5453 10.5453 11.4493 11.4493 13.5998 13.5998 15.0683 15.0683 15.6636 15.6636 k = 0.1216 0.3630 0.7139 ( 3328 PWs) bands (ev): -29.3414 -29.3414 -10.6296 -10.6296 -10.2632 -10.2632 -10.2442 -10.2442 1.7957 1.7957 2.3696 2.3696 4.0253 4.0253 4.1273 4.1273 4.9007 4.9007 5.1664 5.1664 5.6241 5.6241 5.7847 5.7847 6.4389 6.4389 6.5788 6.5788 6.6706 6.6706 6.7975 6.7975 8.0550 8.0550 9.4467 9.4467 10.0150 10.0150 10.4276 10.4276 11.3396 11.3396 13.6073 13.6073 15.1420 15.1420 15.6252 15.6252 k = 0.1284 0.3519 0.7268 ( 3328 PWs) bands (ev): -29.3413 -29.3413 -10.6299 -10.6299 -10.2630 -10.2630 -10.2450 -10.2450 1.8220 1.8220 2.4065 2.4065 3.9871 3.9871 4.0862 4.0862 4.9081 4.9081 5.1774 5.1774 5.6300 5.6300 5.7884 5.7884 6.4598 6.4598 6.5942 6.5942 6.6988 6.6988 6.8238 6.8238 8.0618 8.0618 9.4247 9.4247 9.9293 9.9293 10.3207 10.3207 11.2315 11.2315 13.6126 13.6126 15.2119 15.2119 15.5846 15.5846 k = 0.1351 0.3408 0.7398 ( 3330 PWs) bands (ev): -29.3412 -29.3412 -10.6301 -10.6301 -10.2628 -10.2628 -10.2459 -10.2459 1.8488 1.8488 2.4444 2.4444 3.9495 3.9495 4.0458 4.0458 4.9171 4.9171 5.1887 5.1887 5.6347 5.6347 5.7914 5.7914 6.4781 6.4781 6.6085 6.6085 6.7269 6.7269 6.8497 6.8497 8.0708 8.0708 9.3947 9.3947 9.8485 9.8485 10.2269 10.2269 11.1254 11.1254 13.6154 13.6154 15.2780 15.2780 15.5454 15.5454 k = 0.1419 0.3297 0.7528 ( 3332 PWs) bands (ev): -29.3412 -29.3412 -10.6304 -10.6304 -10.2627 -10.2627 -10.2467 -10.2467 1.8760 1.8760 2.4830 2.4830 3.9126 3.9126 4.0060 4.0060 4.9278 4.9278 5.2005 5.2005 5.6383 5.6383 5.7933 5.7933 6.4939 6.4939 6.6212 6.6212 6.7549 6.7549 6.8751 6.8751 8.0822 8.0822 9.3564 9.3564 9.7707 9.7707 10.1486 10.1486 11.0216 11.0216 13.6154 13.6154 15.3397 15.3397 15.5109 15.5109 k = 0.1486 0.3187 0.7658 ( 3328 PWs) bands (ev): -29.3411 -29.3411 -10.6306 -10.6306 -10.2625 -10.2625 -10.2475 -10.2475 1.9032 1.9032 2.5222 2.5222 3.8765 3.8765 3.9670 3.9670 4.9403 4.9403 5.2128 5.2128 5.6405 5.6405 5.7941 5.7941 6.5071 6.5071 6.6320 6.6320 6.7825 6.7825 6.8996 6.8996 8.0963 8.0963 9.3112 9.3112 9.6937 9.6937 10.0874 10.0874 10.9204 10.9204 13.6125 13.6125 15.3941 15.3941 15.4859 15.4859 k = 0.1554 0.3076 0.7787 ( 3328 PWs) bands (ev): -29.3411 -29.3411 -10.6309 -10.6309 -10.2624 -10.2624 -10.2482 -10.2482 1.9304 1.9304 2.5618 2.5618 3.8414 3.8414 3.9288 3.9288 4.9547 4.9547 5.2256 5.2256 5.6415 5.6415 5.7935 5.7935 6.5181 6.5181 6.6407 6.6407 6.8095 6.8095 6.9230 6.9230 8.1130 8.1130 9.2611 9.2611 9.6159 9.6159 10.0428 10.0428 10.8222 10.8222 13.6066 13.6066 15.4231 15.4231 15.4901 15.4901 k = 0.1622 0.2965 0.7917 ( 3330 PWs) bands (ev): -29.3410 -29.3410 -10.6311 -10.6311 -10.2623 -10.2623 -10.2490 -10.2490 1.9572 1.9572 2.6014 2.6014 3.8075 3.8075 3.8915 3.8915 4.9711 4.9711 5.2391 5.2391 5.6410 5.6410 5.7914 5.7914 6.5268 6.5268 6.6473 6.6473 6.8357 6.8357 6.9453 6.9453 8.1325 8.1325 9.2088 9.2088 9.5374 9.5374 10.0125 10.0125 10.7274 10.7274 13.5978 13.5978 15.4179 15.4179 15.5328 15.5328 k = 0.1689 0.2854 0.8047 ( 3328 PWs) bands (ev): -29.3410 -29.3410 -10.6313 -10.6313 -10.2621 -10.2621 -10.2497 -10.2497 1.9836 1.9836 2.6409 2.6409 3.7748 3.7748 3.8551 3.8551 4.9894 4.9894 5.2531 5.2531 5.6391 5.6391 5.7874 5.7874 6.5335 6.5335 6.6518 6.6518 6.8609 6.8609 6.9661 6.9661 8.1548 8.1548 9.1564 9.1564 9.4593 9.4593 9.9933 9.9933 10.6365 10.6365 13.5864 13.5864 15.4093 15.4093 15.5842 15.5842 k = 0.1757 0.2743 0.8177 ( 3332 PWs) bands (ev): -29.3409 -29.3409 -10.6316 -10.6316 -10.2621 -10.2621 -10.2503 -10.2503 2.0093 2.0093 2.6800 2.6800 3.7436 3.7436 3.8197 3.8197 5.0097 5.0097 5.2675 5.2675 5.6358 5.6358 5.7816 5.7816 6.5382 6.5382 6.6545 6.6545 6.8850 6.8850 6.9852 6.9852 8.1797 8.1797 9.1058 9.1058 9.3826 9.3826 9.9822 9.9822 10.5497 10.5497 13.5725 13.5725 15.4054 15.4054 15.6363 15.6363 k = 0.1824 0.2632 0.8307 ( 3330 PWs) bands (ev): -29.3409 -29.3409 -10.6318 -10.6318 -10.2620 -10.2620 -10.2509 -10.2509 2.0340 2.0340 2.7184 2.7184 3.7141 3.7141 3.7855 3.7855 5.0318 5.0318 5.2821 5.2821 5.6311 5.6311 5.7738 5.7738 6.5413 6.5413 6.6556 6.6556 6.9079 6.9079 7.0026 7.0026 8.2072 8.2072 9.0583 9.0583 9.3086 9.3086 9.9768 9.9768 10.4678 10.4678 13.5569 13.5569 15.4073 15.4073 15.6880 15.6880 k = 0.1892 0.2522 0.8436 ( 3330 PWs) bands (ev): -29.3409 -29.3409 -10.6320 -10.6320 -10.2619 -10.2619 -10.2514 -10.2514 2.0575 2.0575 2.7558 2.7558 3.6865 3.6865 3.7525 3.7525 5.0556 5.0556 5.2968 5.2968 5.6251 5.6251 5.7639 5.7639 6.5428 6.5428 6.6553 6.6553 6.9293 6.9293 7.0181 7.0181 8.2369 8.2369 9.0147 9.0147 9.2379 9.2379 9.9750 9.9750 10.3911 10.3911 13.5400 13.5400 15.4150 15.4150 15.7391 15.7391 k = 0.1959 0.2411 0.8566 ( 3332 PWs) bands (ev): -29.3408 -29.3408 -10.6321 -10.6321 -10.2619 -10.2619 -10.2518 -10.2518 2.0795 2.0795 2.7917 2.7917 3.6609 3.6609 3.7211 3.7211 5.0811 5.0811 5.3110 5.3110 5.6181 5.6181 5.7521 5.7521 6.5430 6.5430 6.6540 6.6540 6.9493 6.9493 7.0315 7.0315 8.2685 8.2685 8.9756 8.9756 9.1712 9.1712 9.9754 9.9754 10.3205 10.3205 13.5226 13.5226 15.4280 15.4280 15.7896 15.7896 k = 0.2027 0.2300 0.8696 ( 3338 PWs) bands (ev): -29.3408 -29.3408 -10.6323 -10.6323 -10.2619 -10.2619 -10.2523 -10.2523 2.0998 2.0998 2.8257 2.8257 3.6377 3.6377 3.6915 3.6915 5.1078 5.1078 5.3242 5.3242 5.6106 5.6106 5.7385 5.7385 6.5422 6.5422 6.6522 6.6522 6.9677 6.9677 7.0429 7.0429 8.3015 8.3015 8.9412 8.9412 9.1086 9.1086 9.9768 9.9768 10.2567 10.2567 13.5052 13.5052 15.4455 15.4455 15.8396 15.8396 k = 0.2095 0.2189 0.8826 ( 3340 PWs) bands (ev): -29.3408 -29.3408 -10.6325 -10.6325 -10.2619 -10.2619 -10.2526 -10.2526 2.1180 2.1180 2.8574 2.8574 3.6169 3.6169 3.6641 3.6641 5.1356 5.1356 5.3357 5.3357 5.6031 5.6031 5.7233 5.7233 6.5408 6.5408 6.6499 6.6499 6.9844 6.9844 7.0521 7.0521 8.3353 8.3353 8.9117 8.9117 9.0507 9.0507 9.9782 9.9782 10.2005 10.2005 13.4886 13.4886 15.4664 15.4664 15.8892 15.8892 k = 0.2162 0.2078 0.8956 ( 3342 PWs) bands (ev): -29.3408 -29.3408 -10.6326 -10.6326 -10.2619 -10.2619 -10.2529 -10.2529 2.1340 2.1340 2.8860 2.8860 3.5989 3.5989 3.6393 3.6393 5.1639 5.1639 5.3443 5.3443 5.5967 5.5967 5.7070 5.7070 6.5389 6.5389 6.6476 6.6476 6.9994 6.9994 7.0593 7.0593 8.3691 8.3691 8.8870 8.8870 8.9979 8.9979 9.9785 9.9785 10.1532 10.1532 13.4734 13.4734 15.4894 15.4894 15.9382 15.9382 k = 0.2230 0.1968 0.9085 ( 3342 PWs) bands (ev): -29.3407 -29.3407 -10.6327 -10.6327 -10.2619 -10.2619 -10.2531 -10.2531 2.1475 2.1475 2.9110 2.9110 3.5837 3.5837 3.6177 3.6177 5.1923 5.1923 5.3489 5.3489 5.5924 5.5924 5.6899 5.6899 6.5370 6.5370 6.6455 6.6455 7.0124 7.0124 7.0644 7.0644 8.4016 8.4016 8.8671 8.8671 8.9507 8.9507 9.9767 9.9767 10.1158 10.1158 13.4602 13.4602 15.5130 15.5130 15.9865 15.9865 k = 0.2297 0.1857 0.9215 ( 3346 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2620 -10.2620 -10.2533 -10.2533 2.1582 2.1582 2.9316 2.9316 3.5717 3.5717 3.5999 3.5999 5.2198 5.2198 5.3487 5.3487 5.5912 5.5912 5.6729 5.6729 6.5352 6.5352 6.6436 6.6436 7.0232 7.0232 7.0677 7.0677 8.4314 8.4314 8.8518 8.8518 8.9102 8.9102 9.9725 9.9725 10.0891 10.0891 13.4493 13.4493 15.5352 15.5352 16.0332 16.0333 k = 0.2365 0.1746 0.9345 ( 3342 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2620 -10.2620 -10.2534 -10.2534 2.1660 2.1660 2.9471 2.9471 3.5629 3.5629 3.5865 3.5865 5.2452 5.2452 5.3434 5.3434 5.5936 5.5936 5.6569 5.6569 6.5338 6.5338 6.6422 6.6422 7.0316 7.0316 7.0694 7.0694 8.4561 8.4561 8.8409 8.8409 8.8784 8.8784 9.9667 9.9667 10.0726 10.0726 13.4413 13.4413 15.5537 15.5537 16.0768 16.0769 k = 0.2432 0.1635 0.9475 ( 3346 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2620 -10.2620 -10.2535 -10.2535 2.1708 2.1708 2.9566 2.9566 3.5575 3.5575 3.5783 3.5783 5.2657 5.2657 5.3352 5.3352 5.5982 5.5982 5.6439 5.6439 6.5329 6.5329 6.6413 6.6413 7.0371 7.0371 7.0701 7.0701 8.4728 8.4728 8.8342 8.8342 8.8577 8.8577 9.9616 9.9616 10.0641 10.0641 13.4364 13.4364 15.5660 15.5660 16.1119 16.1154 k = 0.2500 0.1524 0.9605 ( 3344 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2620 -10.2620 -10.2535 -10.2535 2.1723 2.1723 2.9599 2.9599 3.5557 3.5557 3.5755 3.5755 5.2747 5.2747 5.3303 5.3303 5.6010 5.6010 5.6383 5.6383 6.5325 6.5325 6.6410 6.6410 7.0390 7.0390 7.0702 7.0702 8.4788 8.4788 8.8318 8.8318 8.8506 8.8506 9.9596 9.9596 10.0616 10.0616 13.4347 13.4347 15.5704 15.5704 16.1278 16.1289 k = 0.2500 0.1524 0.9605 ( 3344 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2620 -10.2620 -10.2535 -10.2535 2.1723 2.1723 2.9599 2.9599 3.5557 3.5557 3.5755 3.5755 5.2747 5.2747 5.3303 5.3303 5.6010 5.6010 5.6383 5.6383 6.5325 6.5325 6.6410 6.6410 7.0390 7.0390 7.0702 7.0702 8.4788 8.4788 8.8318 8.8318 8.8506 8.8506 9.9596 9.9596 10.0616 10.0616 13.4347 13.4347 15.5704 15.5704 16.1270 16.1291 k = 0.2632 0.1605 0.9511 ( 3344 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2620 -10.2620 -10.2535 -10.2535 2.1720 2.1720 2.9590 2.9590 3.5561 3.5561 3.5763 3.5763 5.2721 5.2721 5.3317 5.3317 5.6002 5.6002 5.6397 5.6397 6.5327 6.5327 6.6414 6.6414 7.0385 7.0385 7.0702 7.0702 8.4771 8.4771 8.8298 8.8298 8.8549 8.8549 9.9412 9.9412 10.0818 10.0818 13.4368 13.4368 15.5689 15.5689 16.0856 16.0856 k = 0.2763 0.1685 0.9417 ( 3342 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2620 -10.2620 -10.2535 -10.2535 2.1709 2.1709 2.9560 2.9560 3.5574 3.5574 3.5789 3.5789 5.2651 5.2651 5.3355 5.3355 5.5988 5.5988 5.6431 5.6431 6.5332 6.5332 6.6422 6.6422 7.0371 7.0371 7.0705 7.0705 8.4725 8.4725 8.8242 8.8242 8.8665 8.8665 9.9060 9.9060 10.1227 10.1227 13.4427 13.4427 15.5655 15.5655 16.0375 16.0375 k = 0.2895 0.1765 0.9323 ( 3336 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2619 -10.2619 -10.2535 -10.2535 2.1693 2.1693 2.9508 2.9508 3.5597 3.5597 3.5832 3.5832 5.2547 5.2547 5.3405 5.3405 5.5977 5.5977 5.6474 5.6474 6.5343 6.5343 6.6431 6.6431 7.0348 7.0348 7.0708 7.0708 8.4657 8.4657 8.8173 8.8173 8.8819 8.8819 9.8686 9.8686 10.1704 10.1704 13.4522 13.4522 15.5612 15.5612 15.9854 15.9854 k = 0.3026 0.1845 0.9229 ( 3334 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2619 -10.2619 -10.2534 -10.2534 2.1674 2.1674 2.9429 2.9429 3.5629 3.5629 3.5894 3.5894 5.2420 5.2420 5.3459 5.3459 5.5975 5.5975 5.6520 5.6520 6.5359 6.5359 6.6438 6.6438 7.0316 7.0316 7.0711 7.0711 8.4572 8.4572 8.8098 8.8098 8.8996 8.8996 9.8335 9.8335 10.2213 10.2213 13.4650 13.4650 15.5571 15.5571 15.9304 15.9304 k = 0.3158 0.1925 0.9135 ( 3336 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2619 -10.2619 -10.2534 -10.2534 2.1653 2.1653 2.9324 2.9324 3.5671 3.5671 3.5975 3.5975 5.2275 5.2275 5.3512 5.3512 5.5984 5.5984 5.6567 5.6567 6.5382 6.5382 6.6440 6.6440 7.0276 7.0276 7.0715 7.0715 8.4469 8.4469 8.8020 8.8020 8.9189 8.9189 9.8024 9.8024 10.2741 10.2741 13.4808 13.4808 15.5539 15.5539 15.8736 15.8736 k = 0.3289 0.2006 0.9041 ( 3332 PWs) bands (ev): -29.3407 -29.3407 -10.6327 -10.6327 -10.2619 -10.2619 -10.2533 -10.2533 2.1631 2.1631 2.9191 2.9191 3.5724 3.5724 3.6073 3.6073 5.2119 5.2119 5.3562 5.3562 5.6002 5.6002 5.6614 5.6614 6.5411 6.5411 6.6436 6.6436 7.0228 7.0228 7.0718 7.0718 8.4348 8.4348 8.7941 8.7941 8.9395 8.9395 9.7765 9.7765 10.3282 10.3282 13.4990 13.4990 15.5523 15.5523 15.8157 15.8157 k = 0.3421 0.2086 0.8947 ( 3325 PWs) bands (ev): -29.3407 -29.3407 -10.6327 -10.6327 -10.2618 -10.2618 -10.2532 -10.2532 2.1609 2.1609 2.9031 2.9031 3.5787 3.5787 3.6188 3.6188 5.1953 5.1953 5.3609 5.3609 5.6028 5.6028 5.6662 5.6662 6.5446 6.5446 6.6423 6.6423 7.0173 7.0173 7.0720 7.0720 8.4202 8.4202 8.7865 8.7865 8.9613 8.9613 9.7565 9.7565 10.3829 10.3829 13.5194 13.5194 15.5527 15.5527 15.7578 15.7578 k = 0.3553 0.2166 0.8853 ( 3329 PWs) bands (ev): -29.3407 -29.3407 -10.6327 -10.6327 -10.2618 -10.2618 -10.2532 -10.2532 2.1588 2.1588 2.8843 2.8843 3.5861 3.5861 3.6318 3.6318 5.1781 5.1781 5.3652 5.3652 5.6059 5.6059 5.6712 5.6712 6.5486 6.5486 6.6401 6.6401 7.0111 7.0111 7.0722 7.0722 8.4027 8.4027 8.7796 8.7796 8.9848 8.9848 9.7425 9.7425 10.4381 10.4381 13.5414 13.5414 15.5556 15.5556 15.7008 15.7008 k = 0.3684 0.2246 0.8759 ( 3339 PWs) bands (ev): -29.3407 -29.3407 -10.6326 -10.6326 -10.2618 -10.2618 -10.2531 -10.2531 2.1569 2.1569 2.8630 2.8630 3.5946 3.5946 3.6460 3.6460 5.1605 5.1605 5.3691 5.3691 5.6093 5.6093 5.6765 5.6765 6.5529 6.5529 6.6372 6.6372 7.0042 7.0042 7.0723 7.0723 8.3818 8.3818 8.7737 8.7737 9.0104 9.0104 9.7346 9.7346 10.4932 10.4932 13.5646 13.5646 15.5608 15.5608 15.6461 15.6461 k = 0.3816 0.2327 0.8665 ( 3335 PWs) bands (ev): -29.3408 -29.3408 -10.6326 -10.6326 -10.2618 -10.2618 -10.2530 -10.2530 2.1552 2.1552 2.8392 2.8392 3.6043 3.6043 3.6613 3.6613 5.1425 5.1425 5.3725 5.3725 5.6126 5.6126 5.6822 5.6822 6.5571 6.5571 6.6337 6.6337 6.9966 6.9966 7.0724 7.0724 8.3570 8.3570 8.7691 8.7691 9.0386 9.0386 9.7327 9.7327 10.5479 10.5479 13.5884 13.5884 15.5637 15.5637 15.5992 15.5992 k = 0.3947 0.2407 0.8571 ( 3334 PWs) bands (ev): -29.3408 -29.3408 -10.6325 -10.6325 -10.2618 -10.2618 -10.2528 -10.2528 2.1539 2.1539 2.8132 2.8132 3.6150 3.6150 3.6774 3.6774 5.1245 5.1245 5.3754 5.3754 5.6157 5.6157 5.6887 5.6887 6.5606 6.5606 6.6303 6.6303 6.9884 6.9884 7.0724 7.0724 8.3286 8.3286 8.7658 8.7658 9.0699 9.0699 9.7362 9.7362 10.6018 10.6018 13.6124 13.6124 15.5340 15.5340 15.5915 15.5915 k = 0.4079 0.2487 0.8477 ( 3331 PWs) bands (ev): -29.3408 -29.3408 -10.6324 -10.6324 -10.2618 -10.2618 -10.2527 -10.2527 2.1528 2.1528 2.7852 2.7852 3.6269 3.6269 3.6941 3.6941 5.1065 5.1065 5.3779 5.3779 5.6183 5.6183 5.6958 5.6958 6.5625 6.5625 6.6279 6.6279 6.9796 6.9796 7.0724 7.0724 8.2967 8.2967 8.7639 8.7639 9.1045 9.1045 9.7447 9.7447 10.6545 10.6545 13.6359 13.6359 15.4896 15.4896 15.6053 15.6053 k = 0.4211 0.2567 0.8383 ( 3327 PWs) bands (ev): -29.3408 -29.3408 -10.6324 -10.6324 -10.2617 -10.2617 -10.2525 -10.2525 2.1520 2.1520 2.7554 2.7554 3.6399 3.6399 3.7113 3.7113 5.0886 5.0886 5.3798 5.3798 5.6204 5.6204 5.7038 5.7038 6.5615 6.5615 6.6279 6.6279 6.9704 6.9704 7.0723 7.0723 8.2622 8.2622 8.7630 8.7630 9.1426 9.1426 9.7577 9.7577 10.7057 10.7057 13.6583 13.6583 15.4478 15.4478 15.6239 15.6239 k = 0.4342 0.2647 0.8289 ( 3333 PWs) bands (ev): -29.3408 -29.3408 -10.6323 -10.6323 -10.2618 -10.2618 -10.2524 -10.2524 2.1514 2.1514 2.7241 2.7241 3.6540 3.6540 3.7286 3.7286 5.0709 5.0709 5.3811 5.3811 5.6219 5.6219 5.7125 5.7125 6.5568 6.5568 6.6312 6.6312 6.9607 6.9607 7.0721 7.0721 8.2257 8.2257 8.7629 8.7629 9.1841 9.1841 9.7750 9.7750 10.7550 10.7550 13.6792 13.6792 15.4103 15.4103 15.6450 15.6450 k = 0.4474 0.2728 0.8195 ( 3335 PWs) bands (ev): -29.3408 -29.3408 -10.6322 -10.6322 -10.2618 -10.2618 -10.2522 -10.2522 2.1509 2.1509 2.6915 2.6915 3.6692 3.6692 3.7460 3.7460 5.0535 5.0535 5.3818 5.3818 5.6228 5.6228 5.7220 5.7220 6.5487 6.5487 6.6375 6.6375 6.9506 6.9506 7.0718 7.0718 8.1882 8.1882 8.7634 8.7634 9.2286 9.2286 9.7961 9.7961 10.8019 10.8019 13.6979 13.6979 15.3779 15.3779 15.6669 15.6669 k = 0.4605 0.2808 0.8101 ( 3338 PWs) bands (ev): -29.3408 -29.3408 -10.6321 -10.6321 -10.2618 -10.2618 -10.2520 -10.2520 2.1504 2.1504 2.6580 2.6580 3.6854 3.6854 3.7633 3.7633 5.0365 5.0365 5.3817 5.3817 5.6232 5.6232 5.7320 5.7320 6.5379 6.5379 6.6464 6.6464 6.9403 6.9403 7.0713 7.0713 8.1505 8.1505 8.7644 8.7644 9.2756 9.2756 9.8211 9.8211 10.8461 10.8461 13.7138 13.7138 15.3511 15.3511 15.6871 15.6871 k = 0.4737 0.2888 0.8007 ( 3340 PWs) bands (ev): -29.3409 -29.3409 -10.6321 -10.6321 -10.2618 -10.2618 -10.2518 -10.2518 2.1497 2.1497 2.6239 2.6239 3.7027 3.7027 3.7804 3.7804 5.0198 5.0198 5.3808 5.3808 5.6231 5.6231 5.7425 5.7425 6.5252 6.5252 6.6570 6.6570 6.9300 6.9300 7.0705 7.0705 8.1135 8.1135 8.7655 8.7655 9.3243 9.3243 9.8499 9.8499 10.8872 10.8872 13.7266 13.7266 15.3303 15.3303 15.7017 15.7017 k = 0.4868 0.2968 0.7913 ( 3338 PWs) bands (ev): -29.3409 -29.3409 -10.6320 -10.6320 -10.2617 -10.2617 -10.2516 -10.2516 2.1484 2.1484 2.5897 2.5897 3.7210 3.7210 3.7972 3.7972 5.0037 5.0037 5.3791 5.3791 5.6226 5.6226 5.7534 5.7534 6.5111 6.5111 6.6690 6.6690 6.9198 6.9198 7.0693 7.0693 8.0780 8.0780 8.7669 8.7669 9.3738 9.3738 9.8827 9.8827 10.9250 10.9250 13.7358 13.7358 15.3156 15.3156 15.7079 15.7079 k = 0.5000 0.3049 0.7819 ( 3338 PWs) bands (ev): -29.3409 -29.3409 -10.6319 -10.6319 -10.2617 -10.2617 -10.2514 -10.2514 2.1462 2.1462 2.5559 2.5559 3.7403 3.7403 3.8135 3.8135 4.9881 4.9881 5.3764 5.3764 5.6217 5.6217 5.7643 5.7643 6.4961 6.4961 6.6818 6.6818 6.9101 6.9101 7.0676 7.0676 8.0446 8.0446 8.7683 8.7683 9.4230 9.4230 9.9199 9.9199 10.9592 10.9592 13.7410 13.7410 15.3072 15.3072 15.7058 15.7058 k = 0.5000 0.3049 0.7819 ( 3338 PWs) bands (ev): -29.3409 -29.3409 -10.6319 -10.6319 -10.2617 -10.2617 -10.2514 -10.2514 2.1462 2.1462 2.5559 2.5559 3.7403 3.7403 3.8135 3.8135 4.9881 4.9881 5.3764 5.3764 5.6217 5.6217 5.7643 5.7643 6.4961 6.4961 6.6818 6.6818 6.9101 6.9101 7.0676 7.0676 8.0446 8.0446 8.7683 8.7683 9.4230 9.4230 9.9199 9.9199 10.9592 10.9592 13.7410 13.7410 15.3072 15.3072 15.7058 15.7058 k = 0.5000 0.3049 0.7633 ( 3344 PWs) bands (ev): -29.3409 -29.3409 -10.6317 -10.6317 -10.2617 -10.2617 -10.2509 -10.2509 2.1400 2.1400 2.4885 2.4885 3.7810 3.7810 3.8454 3.8454 4.9585 4.9585 5.3689 5.3689 5.6199 5.6199 5.7852 5.7852 6.4658 6.4658 6.7072 6.7072 6.8934 6.8934 7.0638 7.0638 7.9805 7.9805 8.7715 8.7715 9.5231 9.5231 9.9998 9.9998 11.0256 11.0256 13.7477 13.7477 15.2967 15.2967 15.6855 15.6855 k = 0.5000 0.3049 0.7447 ( 3344 PWs) bands (ev): -29.3410 -29.3410 -10.6314 -10.6314 -10.2617 -10.2617 -10.2504 -10.2504 2.1330 2.1330 2.4192 2.4192 3.8243 3.8243 3.8777 3.8777 4.9309 4.9309 5.3588 5.3588 5.6184 5.6184 5.8041 5.8041 6.4361 6.4361 6.7282 6.7282 6.8837 6.8837 7.0599 7.0599 7.9159 7.9159 8.7752 8.7752 9.6294 9.6294 10.0829 10.0829 11.0969 11.0969 13.7551 13.7551 15.2861 15.2861 15.6505 15.6505 k = 0.5000 0.3049 0.7261 ( 3348 PWs) bands (ev): -29.3410 -29.3410 -10.6312 -10.6312 -10.2617 -10.2617 -10.2498 -10.2498 2.1252 2.1252 2.3483 2.3483 3.8686 3.8686 3.9116 3.9116 4.9054 4.9054 5.3461 5.3461 5.6171 5.6171 5.8207 5.8207 6.4074 6.4074 6.7391 6.7391 6.8868 6.8868 7.0561 7.0561 7.8515 7.8515 8.7794 8.7794 9.7413 9.7413 10.1689 10.1689 11.1728 11.1728 13.7631 13.7631 15.2754 15.2754 15.6059 15.6059 k = 0.5000 0.3049 0.7075 ( 3352 PWs) bands (ev): -29.3411 -29.3411 -10.6309 -10.6309 -10.2617 -10.2617 -10.2493 -10.2493 2.1166 2.1166 2.2761 2.2761 3.9101 3.9101 3.9505 3.9505 4.8824 4.8824 5.3309 5.3309 5.6161 5.6161 5.8349 5.8349 6.3803 6.3803 6.7373 6.7373 6.9049 6.9049 7.0531 7.0531 7.7880 7.7880 8.7841 8.7841 9.8581 9.8581 10.2578 10.2578 11.2529 11.2529 13.7717 13.7717 15.2649 15.2649 15.5542 15.5542 k = 0.5000 0.3049 0.6888 ( 3352 PWs) bands (ev): -29.3412 -29.3412 -10.6307 -10.6307 -10.2617 -10.2617 -10.2486 -10.2486 2.1069 2.1069 2.2030 2.2030 3.9454 3.9454 3.9976 3.9976 4.8622 4.8622 5.3132 5.3132 5.6152 5.6152 5.8464 5.8464 6.3553 6.3553 6.7265 6.7265 6.9333 6.9333 7.0516 7.0516 7.7263 7.7263 8.7891 8.7891 9.9794 9.9794 10.3494 10.3494 11.3370 11.3370 13.7809 13.7809 15.2546 15.2546 15.4968 15.4968 k = 0.5000 0.3049 0.6702 ( 3352 PWs) bands (ev): -29.3412 -29.3412 -10.6304 -10.6304 -10.2616 -10.2616 -10.2479 -10.2479 2.0955 2.0955 2.1301 2.1301 3.9756 3.9756 4.0510 4.0510 4.8452 4.8452 5.2931 5.2931 5.6142 5.6142 5.8550 5.8550 6.3327 6.3327 6.7115 6.7115 6.9641 6.9641 7.0540 7.0540 7.6676 7.6676 8.7946 8.7946 10.1047 10.1047 10.4437 10.4437 11.4247 11.4247 13.7908 13.7908 15.2445 15.2445 15.4345 15.4345 k = 0.5000 0.3049 0.6516 ( 3342 PWs) bands (ev): -29.3413 -29.3413 -10.6300 -10.6300 -10.2616 -10.2616 -10.2472 -10.2472 2.0524 2.0524 2.0874 2.0874 4.0032 4.0032 4.1078 4.1078 4.8319 4.8319 5.2709 5.2709 5.6130 5.6130 5.8607 5.8607 6.3132 6.3132 6.6955 6.6955 6.9881 6.9881 7.0656 7.0656 7.6134 7.6134 8.8004 8.8004 10.2333 10.2333 10.5408 10.5408 11.5158 11.5158 13.8014 13.8014 15.2344 15.2344 15.3683 15.3683 k = 0.5000 0.3049 0.6330 ( 3338 PWs) bands (ev): -29.3413 -29.3413 -10.6297 -10.6297 -10.2615 -10.2615 -10.2464 -10.2464 1.9787 1.9787 2.0742 2.0742 4.0291 4.0291 4.1661 4.1661 4.8229 4.8229 5.2467 5.2467 5.6113 5.6113 5.8631 5.8631 6.2970 6.2970 6.6799 6.6799 6.9991 6.9991 7.0890 7.0890 7.5663 7.5663 8.8065 8.8065 10.3648 10.3648 10.6407 10.6407 11.6100 11.6100 13.8127 13.8127 15.2240 15.2240 15.2991 15.2991 k = 0.5000 0.3049 0.6144 ( 3346 PWs) bands (ev): -29.3414 -29.3414 -10.6294 -10.6294 -10.2615 -10.2615 -10.2457 -10.2457 1.9041 1.9041 2.0610 2.0610 4.0536 4.0536 4.2244 4.2244 4.8193 4.8193 5.2209 5.2209 5.6090 5.6090 5.8624 5.8624 6.2844 6.2844 6.6657 6.6657 7.0008 7.0008 7.1160 7.1160 7.5302 7.5302 8.8130 8.8130 10.4985 10.4985 10.7434 10.7434 11.7071 11.7071 13.8246 13.8246 15.2088 15.2088 15.2315 15.2315 k = 0.5000 0.3049 0.5958 ( 3346 PWs) bands (ev): -29.3415 -29.3415 -10.6291 -10.6291 -10.2615 -10.2615 -10.2449 -10.2449 1.8297 1.8297 2.0470 2.0470 4.0770 4.0770 4.2809 4.2809 4.8220 4.8220 5.1936 5.1936 5.6060 5.6060 5.8586 5.8586 6.2758 6.2758 6.6532 6.6532 6.9984 6.9984 7.1359 7.1359 7.5107 7.5107 8.8198 8.8198 10.6338 10.6338 10.8493 10.8493 11.8069 11.8069 13.8374 13.8374 15.1485 15.1485 15.2057 15.2057 k = 0.5000 0.3049 0.5771 ( 3346 PWs) bands (ev): -29.3416 -29.3416 -10.6287 -10.6287 -10.2614 -10.2614 -10.2441 -10.2441 1.7556 1.7556 2.0323 2.0323 4.0994 4.0994 4.3337 4.3337 4.8327 4.8327 5.1653 5.1653 5.6022 5.6022 5.8520 5.8520 6.2710 6.2710 6.6426 6.6426 6.9937 6.9937 7.1416 7.1416 7.5128 7.5128 8.8268 8.8268 10.7698 10.7698 10.9586 10.9586 11.9092 11.9092 13.8509 13.8509 15.0731 15.0731 15.1897 15.1897 k = 0.5000 0.3049 0.5585 ( 3336 PWs) bands (ev): -29.3416 -29.3416 -10.6283 -10.6283 -10.2613 -10.2613 -10.2432 -10.2432 1.6821 1.6821 2.0168 2.0168 4.1208 4.1208 4.3807 4.3807 4.8525 4.8525 5.1362 5.1362 5.5975 5.5975 5.8431 5.8431 6.2699 6.2699 6.6341 6.6341 6.9869 6.9869 7.1328 7.1328 7.5371 7.5371 8.8341 8.8341 10.9054 10.9054 11.0722 11.0722 12.0138 12.0138 13.8653 13.8653 14.9962 14.9962 15.1661 15.1661 k = 0.5000 0.3049 0.5399 ( 3334 PWs) bands (ev): -29.3417 -29.3417 -10.6280 -10.6280 -10.2613 -10.2613 -10.2423 -10.2423 1.6093 1.6093 2.0006 2.0006 4.1412 4.1412 4.4200 4.4200 4.8824 4.8824 5.1070 5.1070 5.5921 5.5921 5.8326 5.8326 6.2723 6.2723 6.6276 6.6276 6.9773 6.9773 7.1147 7.1147 7.5791 7.5791 8.8416 8.8416 11.0391 11.0391 11.1907 11.1907 12.1204 12.1204 13.8807 13.8807 14.9186 14.9186 15.1241 15.1241 k = 0.5000 0.3049 0.5213 ( 3326 PWs) bands (ev): -29.3418 -29.3418 -10.6276 -10.6276 -10.2612 -10.2612 -10.2414 -10.2414 1.5376 1.5376 1.9837 1.9837 4.1607 4.1607 4.4511 4.4511 4.9210 4.9210 5.0788 5.0788 5.5860 5.5860 5.8216 5.8216 6.2777 6.2777 6.6231 6.6231 6.9634 6.9634 7.0947 7.0947 7.6332 7.6332 8.8494 8.8494 11.1695 11.1695 11.3150 11.3150 12.2290 12.2290 13.8972 13.8972 14.8412 14.8412 15.0517 15.0517 k = 0.5000 0.3049 0.5027 ( 3326 PWs) bands (ev): -29.3418 -29.3418 -10.6272 -10.6272 -10.2611 -10.2611 -10.2406 -10.2406 1.4669 1.4669 1.9663 1.9663 4.1792 4.1792 4.4744 4.4744 4.9626 4.9626 5.0561 5.0561 5.5793 5.5793 5.8111 5.8111 6.2856 6.2856 6.6203 6.6203 6.9439 6.9439 7.0784 7.0784 7.6953 7.6953 8.8574 8.8574 11.2960 11.2960 11.4452 11.4452 12.3393 12.3393 13.9148 13.9148 14.7644 14.7644 14.9497 14.9497 k = 0.5000 0.3049 0.4841 ( 3326 PWs) bands (ev): -29.3419 -29.3419 -10.6268 -10.6268 -10.2611 -10.2611 -10.2397 -10.2397 1.3975 1.3975 1.9484 1.9484 4.1968 4.1968 4.4912 4.4912 4.9824 4.9824 5.0606 5.0606 5.5721 5.5721 5.8029 5.8029 6.2958 6.2958 6.6190 6.6190 6.9189 6.9189 7.0684 7.0684 7.7629 7.7629 8.8656 8.8656 11.4185 11.4185 11.5805 11.5805 12.4512 12.4512 13.9337 13.9337 14.6889 14.6889 14.8285 14.8285 k = 0.5000 0.3049 0.4654 ( 3328 PWs) bands (ev): -29.3420 -29.3420 -10.6265 -10.6265 -10.2610 -10.2610 -10.2388 -10.2388 1.3296 1.3296 1.9301 1.9301 4.2133 4.2133 4.5033 4.5033 4.9656 4.9656 5.1038 5.1038 5.5646 5.5646 5.7991 5.7991 6.3077 6.3077 6.6191 6.6191 6.8902 6.8902 7.0647 7.0647 7.8345 7.8345 8.8740 8.8740 11.5379 11.5379 11.7194 11.7194 12.5645 12.5645 13.9541 13.9541 14.6152 14.6152 14.6955 14.6955 k = 0.5000 0.3049 0.4468 ( 3326 PWs) bands (ev): -29.3421 -29.3421 -10.6261 -10.6261 -10.2609 -10.2609 -10.2379 -10.2379 1.2632 1.2632 1.9115 1.9115 4.2288 4.2288 4.5120 4.5120 4.9388 4.9388 5.1551 5.1551 5.5564 5.5564 5.8023 5.8023 6.3212 6.3212 6.6203 6.6203 6.8603 6.8603 7.0661 7.0661 7.9090 7.9090 8.8826 8.8826 11.6547 11.6547 11.8601 11.8601 12.6790 12.6790 13.9760 13.9760 14.5418 14.5418 14.5569 14.5569 k = 0.5000 0.3049 0.4282 ( 3324 PWs) bands (ev): -29.3421 -29.3421 -10.6257 -10.6257 -10.2609 -10.2609 -10.2370 -10.2370 1.1986 1.1986 1.8926 1.8926 4.2432 4.2432 4.5184 4.5184 4.9102 4.9102 5.2028 5.2028 5.5472 5.5472 5.8156 5.8156 6.3359 6.3359 6.6225 6.6225 6.8308 6.8308 7.0718 7.0718 7.9860 7.9860 8.8914 8.8914 11.7693 11.7693 12.0014 12.0014 12.7945 12.7945 13.9994 13.9994 14.4067 14.4067 14.4779 14.4779 k = 0.5000 0.3049 0.4096 ( 3316 PWs) bands (ev): -29.3422 -29.3422 -10.6253 -10.6253 -10.2608 -10.2608 -10.2360 -10.2360 1.1358 1.1358 1.8737 1.8737 4.2565 4.2565 4.5232 4.5232 4.8814 4.8814 5.2420 5.2420 5.5364 5.5364 5.8415 5.8415 6.3518 6.3518 6.6253 6.6253 6.8029 6.8029 7.0814 7.0814 8.0647 8.0647 8.9004 8.9004 11.8816 11.8816 12.1420 12.1420 12.9108 12.9108 14.0233 14.0233 14.2573 14.2573 14.4146 14.4146 k = 0.5000 0.3049 0.3910 ( 3318 PWs) bands (ev): -29.3423 -29.3423 -10.6250 -10.6250 -10.2607 -10.2607 -10.2352 -10.2352 1.0749 1.0749 1.8548 1.8548 4.2685 4.2685 4.5271 4.5271 4.8532 4.8532 5.2708 5.2708 5.5235 5.5235 5.8808 5.8808 6.3688 6.3688 6.6286 6.6286 6.7775 6.7775 7.0947 7.0947 8.1450 8.1450 8.9097 8.9097 11.9911 11.9911 12.2807 12.2807 13.0276 13.0276 14.0341 14.0341 14.1197 14.1197 14.3568 14.3568 k = 0.5000 0.3049 0.3723 ( 3318 PWs) bands (ev): -29.3423 -29.3423 -10.6247 -10.6247 -10.2606 -10.2606 -10.2343 -10.2343 1.0162 1.0162 1.8359 1.8359 4.2793 4.2793 4.5303 4.5303 4.8257 4.8257 5.2897 5.2897 5.5085 5.5085 5.9317 5.9317 6.3872 6.3872 6.6324 6.6324 6.7552 6.7552 7.1118 7.1118 8.2263 8.2263 8.9194 8.9194 12.0969 12.0969 12.4165 12.4165 13.1445 13.1445 13.9262 13.9262 14.1011 14.1011 14.3060 14.3060 k = 0.5000 0.3049 0.3537 ( 3314 PWs) bands (ev): -29.3424 -29.3424 -10.6243 -10.6243 -10.2605 -10.2605 -10.2334 -10.2334 0.9597 0.9597 1.8173 1.8173 4.2888 4.2888 4.5331 4.5331 4.7993 4.7993 5.3003 5.3003 5.4916 5.4916 5.9904 5.9904 6.4072 6.4072 6.6366 6.6366 6.7365 6.7365 7.1330 7.1330 8.3084 8.3084 8.9293 8.9293 12.1980 12.1980 12.5482 12.5482 13.2609 13.2609 13.7703 13.7703 14.1317 14.1317 14.2638 14.2638 k = 0.5000 0.3049 0.3351 ( 3314 PWs) bands (ev): -29.3425 -29.3425 -10.6240 -10.6240 -10.2604 -10.2604 -10.2326 -10.2326 0.9055 0.9055 1.7989 1.7989 4.2968 4.2968 4.5356 4.5356 4.7742 4.7742 5.3048 5.3048 5.4732 5.4732 6.0521 6.0521 6.4290 6.4290 6.6414 6.6414 6.7220 6.7220 7.1585 7.1585 8.3910 8.3910 8.9397 8.9397 12.2929 12.2929 12.6744 12.6744 13.3752 13.3752 13.6114 13.6114 14.1677 14.1677 14.2339 14.2339 k = 0.5000 0.3049 0.3165 ( 3314 PWs) bands (ev): -29.3425 -29.3425 -10.6237 -10.6237 -10.2604 -10.2604 -10.2318 -10.2318 0.8536 0.8536 1.7810 1.7810 4.3035 4.3035 4.5378 4.5378 4.7505 4.7505 5.3051 5.3051 5.4539 5.4539 6.1122 6.1122 6.4527 6.4527 6.6474 6.6474 6.7125 6.7125 7.1889 7.1889 8.4737 8.4737 8.9508 8.9508 12.3799 12.3799 12.7934 12.7934 13.4302 13.4302 13.5101 13.5101 14.1928 14.1928 14.2324 14.2324 k = 0.5000 0.3049 0.2979 ( 3324 PWs) bands (ev): -29.3426 -29.3426 -10.6234 -10.6234 -10.2603 -10.2603 -10.2310 -10.2310 0.8043 0.8043 1.7635 1.7635 4.3087 4.3087 4.5399 4.5399 4.7285 4.7285 5.3026 5.3026 5.4342 5.4342 6.1663 6.1663 6.4771 6.4771 6.6552 6.6552 6.7094 6.7094 7.2245 7.2245 8.5560 8.5560 8.9626 8.9626 12.4569 12.4569 12.9016 12.9016 13.2834 13.2834 13.6118 13.6118 14.1953 14.1953 14.2732 14.2732 k = 0.5000 0.3049 0.2793 ( 3322 PWs) bands (ev): -29.3427 -29.3427 -10.6231 -10.6231 -10.2602 -10.2602 -10.2302 -10.2302 0.7575 0.7575 1.7466 1.7466 4.3126 4.3126 4.5415 4.5415 4.7083 4.7083 5.2985 5.2985 5.4143 5.4143 6.2119 6.2119 6.4993 6.4993 6.6643 6.6643 6.7159 6.7159 7.2661 7.2661 8.6374 8.6374 8.9756 8.9756 12.5218 12.5218 12.9793 12.9793 13.1486 13.1486 13.7217 13.7217 14.2072 14.2072 14.3268 14.3268 k = 0.5000 0.3049 0.2606 ( 3322 PWs) bands (ev): -29.3427 -29.3427 -10.6228 -10.6228 -10.2602 -10.2602 -10.2295 -10.2295 0.7134 0.7134 1.7304 1.7304 4.3152 4.3152 4.5426 4.5426 4.6903 4.6903 5.2933 5.2933 5.3947 5.3947 6.2482 6.2482 6.5163 6.5163 6.6718 6.6718 6.7361 6.7361 7.3142 7.3142 8.7171 8.7171 8.9904 8.9904 12.5721 12.5721 12.9155 12.9155 13.1476 13.1476 13.8294 13.8294 14.2361 14.2361 14.3868 14.3868 k = 0.5000 0.3049 0.2420 ( 3330 PWs) bands (ev): -29.3428 -29.3428 -10.6226 -10.6226 -10.2601 -10.2601 -10.2288 -10.2288 0.6721 0.6721 1.7150 1.7150 4.3165 4.3165 4.5429 4.5429 4.6747 4.6747 5.2876 5.2876 5.3757 5.3757 6.2762 6.2762 6.5268 6.5268 6.6769 6.6769 6.7690 6.7690 7.3690 7.3690 8.7934 8.7934 9.0084 9.0084 12.6015 12.6015 12.7752 12.7752 13.2217 13.2217 13.9340 13.9340 14.2832 14.2832 14.4518 14.4518 k = 0.5000 0.3049 0.2234 ( 3330 PWs) bands (ev): -29.3429 -29.3429 -10.6223 -10.6223 -10.2600 -10.2600 -10.2282 -10.2282 0.6335 0.6335 1.7003 1.7003 4.3168 4.3168 4.5421 4.5421 4.6617 4.6617 5.2817 5.2817 5.3575 5.3575 6.2975 6.2975 6.5321 6.5321 6.6808 6.6808 6.8089 6.8089 7.4305 7.4305 8.8635 8.8635 9.0322 9.0322 12.5614 12.5614 12.6827 12.6827 13.2963 13.2963 14.0356 14.0356 14.3470 14.3470 14.5205 14.5205 k = 0.5000 0.3049 0.2048 ( 3334 PWs) bands (ev): -29.3429 -29.3429 -10.6221 -10.6221 -10.2600 -10.2600 -10.2276 -10.2276 0.5978 0.5978 1.6866 1.6866 4.3162 4.3162 4.5399 4.5399 4.6516 4.6516 5.2757 5.2757 5.3403 5.3403 6.3139 6.3139 6.5341 6.5341 6.6844 6.6844 6.8503 6.8503 7.4979 7.4979 8.9222 8.9222 9.0668 9.0668 12.4242 12.4242 12.6751 12.6751 13.3637 13.3637 14.1353 14.1353 14.4237 14.4237 14.5908 14.5908 k = 0.5000 0.3049 0.1862 ( 3334 PWs) bands (ev): -29.3430 -29.3430 -10.6219 -10.6219 -10.2599 -10.2599 -10.2270 -10.2270 0.5650 0.5650 1.6739 1.6739 4.3149 4.3149 4.5363 4.5363 4.6443 4.6443 5.2697 5.2697 5.3244 5.3244 6.3266 6.3266 6.5343 6.5343 6.6878 6.6878 6.8900 6.8900 7.5699 7.5699 8.9653 8.9653 9.1161 9.1161 12.2721 12.2721 12.6744 12.6744 13.4231 13.4231 14.2334 14.2334 14.5081 14.5081 14.6596 14.6596 k = 0.5000 0.3049 0.1676 ( 3322 PWs) bands (ev): -29.3430 -29.3430 -10.6216 -10.6216 -10.2598 -10.2598 -10.2264 -10.2264 0.5351 0.5351 1.6621 1.6621 4.3131 4.3131 4.5315 4.5315 4.6396 4.6396 5.2639 5.2639 5.3100 5.3100 6.3366 6.3366 6.5336 6.5336 6.6912 6.6912 6.9262 6.9262 7.6443 7.6443 8.9954 8.9954 9.1773 9.1773 12.1210 12.1210 12.6685 12.6685 13.4746 13.4746 14.3281 14.3281 14.5936 14.5936 14.7221 14.7221 k = 0.5000 0.3049 0.1489 ( 3326 PWs) bands (ev): -29.3430 -29.3430 -10.6215 -10.6215 -10.2598 -10.2598 -10.2260 -10.2260 0.5083 0.5083 1.6515 1.6515 4.3109 4.3109 4.5259 4.5259 4.6369 4.6369 5.2580 5.2580 5.2974 5.2974 6.3446 6.3446 6.5324 6.5324 6.6944 6.6944 6.9582 6.9582 7.7190 7.7190 9.0184 9.0184 9.2438 9.2438 11.9741 11.9741 12.6578 12.6578 13.5188 13.5188 14.4131 14.4131 14.6706 14.6706 14.7741 14.7741 k = 0.5000 0.3049 0.1303 ( 3338 PWs) bands (ev): -29.3431 -29.3431 -10.6214 -10.6214 -10.2598 -10.2598 -10.2256 -10.2256 0.4846 0.4846 1.6420 1.6420 4.3085 4.3085 4.5200 4.5200 4.6358 4.6358 5.2522 5.2522 5.2866 5.2866 6.3511 6.3511 6.5311 6.5311 6.6974 6.6974 6.9860 6.9860 7.7915 7.7915 9.0381 9.0381 9.3113 9.3113 11.8336 11.8336 12.6436 12.6436 13.5563 13.5563 14.4749 14.4749 14.7295 14.7295 14.8272 14.8272 k = 0.5000 0.3049 0.1117 ( 3342 PWs) bands (ev): -29.3431 -29.3431 -10.6212 -10.6212 -10.2598 -10.2598 -10.2252 -10.2252 0.4639 0.4639 1.6337 1.6337 4.3060 4.3060 4.5141 4.5141 4.6356 4.6356 5.2464 5.2464 5.2779 5.2779 6.3562 6.3562 6.5298 6.5298 6.7002 6.7002 7.0096 7.0096 7.8594 7.8594 9.0558 9.0558 9.3772 9.3772 11.7018 11.7018 12.6278 12.6278 13.5878 13.5878 14.4998 14.4998 14.7872 14.7872 14.8893 14.8893 k = 0.5000 0.3049 0.0931 ( 3346 PWs) bands (ev): -29.3431 -29.3431 -10.6211 -10.6211 -10.2597 -10.2597 -10.2249 -10.2249 0.4464 0.4464 1.6265 1.6265 4.3038 4.3038 4.5088 4.5088 4.6361 4.6361 5.2407 5.2407 5.2711 5.2711 6.3604 6.3604 6.5287 6.5287 6.7026 6.7026 7.0292 7.0292 7.9206 7.9206 9.0722 9.0722 9.4394 9.4394 11.5811 11.5811 12.6119 12.6119 13.6138 13.6138 14.4950 14.4950 14.8568 14.8568 14.9466 14.9466 k = 0.5000 0.3049 0.0745 ( 3356 PWs) bands (ev): -29.3432 -29.3432 -10.6211 -10.6211 -10.2597 -10.2597 -10.2247 -10.2247 0.4320 0.4320 1.6207 1.6207 4.3017 4.3017 4.5041 4.5041 4.6368 4.6368 5.2356 5.2356 5.2660 5.2660 6.3636 6.3636 6.5277 6.5277 6.7046 6.7046 7.0450 7.0450 7.9731 7.9731 9.0868 9.0868 9.4961 9.4961 11.4745 11.4745 12.5971 12.5971 13.6345 13.6345 14.4779 14.4779 14.9267 14.9267 14.9904 14.9905 k = 0.5000 0.3049 0.0559 ( 3360 PWs) bands (ev): -29.3432 -29.3432 -10.6210 -10.6210 -10.2597 -10.2597 -10.2245 -10.2245 0.4208 0.4208 1.6161 1.6161 4.3000 4.3000 4.5003 4.5003 4.6375 4.6375 5.2312 5.2312 5.2623 5.2623 6.3661 6.3661 6.5269 6.5269 6.7063 6.7063 7.0572 7.0572 8.0155 8.0155 9.0993 9.0993 9.5447 9.5447 11.3855 11.3855 12.5844 12.5844 13.6505 13.6505 14.4594 14.4594 14.9836 14.9836 15.0197 15.0198 k = 0.5000 0.3049 0.0372 ( 3364 PWs) bands (ev): -29.3432 -29.3432 -10.6210 -10.6210 -10.2597 -10.2597 -10.2243 -10.2243 0.4127 0.4127 1.6128 1.6128 4.2987 4.2987 4.4975 4.4975 4.6381 4.6381 5.2279 5.2279 5.2599 5.2599 6.3678 6.3678 6.5263 6.5263 6.7075 6.7075 7.0658 7.0658 8.0465 8.0465 9.1089 9.1089 9.5826 9.5826 11.3180 11.3180 12.5748 12.5748 13.6617 13.6617 14.4440 14.4440 15.0171 15.0171 15.0418 15.0419 k = 0.5000 0.3049 0.0186 ( 3364 PWs) bands (ev): -29.3432 -29.3432 -10.6209 -10.6209 -10.2597 -10.2597 -10.2243 -10.2243 0.4079 0.4079 1.6108 1.6108 4.2979 4.2979 4.4958 4.4958 4.6385 4.6385 5.2259 5.2259 5.2585 5.2585 6.3688 6.3688 6.5260 6.5260 6.7082 6.7082 7.0709 7.0709 8.0654 8.0654 9.1150 9.1150 9.6068 9.6068 11.2755 11.2755 12.5687 12.5687 13.6684 13.6684 14.4342 14.4342 15.0291 15.0291 15.0593 15.0596 k = 0.5000 0.3049 0.0000 ( 3364 PWs) bands (ev): -29.3432 -29.3432 -10.6209 -10.6209 -10.2597 -10.2597 -10.2242 -10.2242 0.4063 0.4063 1.6101 1.6101 4.2977 4.2977 4.4953 4.4953 4.6387 4.6387 5.2252 5.2252 5.2580 5.2580 6.3692 6.3692 6.5259 6.5259 6.7084 6.7084 7.0726 7.0726 8.0717 8.0717 9.1171 9.1171 9.6152 9.6152 11.2610 11.2610 12.5667 12.5667 13.6706 13.6706 14.4308 14.4308 15.0320 15.0320 15.0654 15.0655 k = 0.0000 0.0000 0.9605 ( 3348 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2533 -10.2533 2.1717 2.1717 2.9609 2.9609 3.5522 3.5522 3.5795 3.5795 5.2871 5.2871 5.3126 5.3126 5.5859 5.5859 5.6373 5.6373 6.5395 6.5395 6.6881 6.6881 7.0464 7.0464 7.0850 7.0850 8.4410 8.4410 8.7463 8.7463 8.9372 8.9372 9.4474 9.4474 10.6317 10.6317 13.7106 13.7106 15.3658 15.3658 15.4673 15.4673 k = 0.0156 0.0095 0.9605 ( 3336 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2532 -10.2532 2.1717 2.1717 2.9609 2.9609 3.5523 3.5523 3.5794 3.5794 5.2869 5.2869 5.3128 5.3128 5.5861 5.5861 5.6373 5.6373 6.5394 6.5394 6.6877 6.6877 7.0463 7.0463 7.0848 7.0848 8.4414 8.4414 8.7468 8.7468 8.9366 8.9366 9.4502 9.4502 10.6284 10.6284 13.7075 13.7075 15.3705 15.3705 15.4690 15.4690 k = 0.0312 0.0191 0.9605 ( 3336 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2532 -10.2532 2.1717 2.1717 2.9608 2.9608 3.5523 3.5523 3.5793 3.5793 5.2864 5.2864 5.3135 5.3135 5.5865 5.5865 5.6373 5.6373 6.5392 6.5392 6.6864 6.6864 7.0461 7.0461 7.0844 7.0844 8.4425 8.4425 8.7483 8.7483 8.9347 8.9347 9.4585 9.4585 10.6185 10.6185 13.6984 13.6984 15.3845 15.3845 15.4738 15.4738 k = 0.0469 0.0286 0.9605 ( 3338 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2532 -10.2532 2.1718 2.1718 2.9608 2.9608 3.5525 3.5525 3.5792 3.5792 5.2855 5.2855 5.3146 5.3146 5.5871 5.5871 5.6374 5.6374 6.5388 6.5388 6.6843 6.6843 7.0457 7.0457 7.0837 7.0837 8.4443 8.4443 8.7508 8.7508 8.9318 8.9318 9.4723 9.4723 10.6022 10.6022 13.6838 13.6838 15.4076 15.4076 15.4813 15.4813 k = 0.0625 0.0381 0.9605 ( 3334 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2532 -10.2532 2.1718 2.1718 2.9607 2.9607 3.5527 3.5527 3.5789 3.5789 5.2844 5.2844 5.3160 5.3160 5.5880 5.5880 5.6375 5.6375 6.5383 6.5383 6.6814 6.6814 7.0452 7.0452 7.0827 7.0827 8.4467 8.4467 8.7542 8.7542 8.9278 8.9278 9.4913 9.4913 10.5797 10.5797 13.6646 13.6646 15.4389 15.4389 15.4909 15.4909 k = 0.0781 0.0476 0.9605 ( 3328 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2532 -10.2532 2.1719 2.1719 2.9607 2.9607 3.5529 3.5529 3.5787 3.5787 5.2833 5.2833 5.3176 5.3176 5.5891 5.5891 5.6376 5.6376 6.5377 6.5377 6.6780 6.6780 7.0446 7.0446 7.0815 7.0815 8.4496 8.4496 8.7585 8.7585 8.9231 8.9231 9.5152 9.5152 10.5516 10.5516 13.6418 13.6418 15.4769 15.4769 15.5031 15.5031 k = 0.0938 0.0572 0.9605 ( 3330 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2622 -10.2622 -10.2532 -10.2532 2.1719 2.1719 2.9606 2.9606 3.5532 3.5532 3.5783 3.5783 5.2820 5.2820 5.3193 5.3193 5.5903 5.5903 5.6378 5.6378 6.5371 6.5371 6.6740 6.6740 7.0439 7.0439 7.0802 7.0802 8.4530 8.4530 8.7635 8.7635 8.9176 8.9176 9.5437 9.5437 10.5181 10.5181 13.6164 13.6164 15.5066 15.5066 15.5310 15.5310 k = 0.1094 0.0667 0.9605 ( 3330 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2621 -10.2621 -10.2533 -10.2533 2.1720 2.1720 2.9605 2.9605 3.5535 3.5535 3.5780 3.5780 5.2808 5.2808 5.3210 5.3210 5.5917 5.5917 5.6379 5.6379 6.5364 6.5364 6.6696 6.6696 7.0432 7.0432 7.0788 7.0788 8.4566 8.4566 8.7693 8.7693 8.9115 8.9115 9.5764 9.5764 10.4800 10.4800 13.5897 13.5897 15.5196 15.5196 15.5816 15.5816 k = 0.1250 0.0762 0.9605 ( 3334 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2621 -10.2621 -10.2533 -10.2533 2.1720 2.1720 2.9604 2.9604 3.5539 3.5539 3.5776 3.5776 5.2796 5.2796 5.3227 5.3227 5.5932 5.5932 5.6380 5.6380 6.5357 6.5357 6.6650 6.6650 7.0425 7.0425 7.0774 7.0774 8.4603 8.4603 8.7757 8.7757 8.9050 8.9050 9.6131 9.6131 10.4376 10.4376 13.5627 13.5627 15.5300 15.5300 15.6393 15.6393 k = 0.1406 0.0857 0.9605 ( 3332 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2621 -10.2621 -10.2533 -10.2533 2.1721 2.1721 2.9603 2.9603 3.5542 3.5542 3.5772 3.5772 5.2785 5.2785 5.3243 5.3243 5.5946 5.5946 5.6381 5.6381 6.5350 6.5350 6.6604 6.6604 7.0418 7.0418 7.0759 7.0759 8.4639 8.4639 8.7826 8.7826 8.8981 8.8981 9.6533 9.6533 10.3917 10.3917 13.5365 13.5365 15.5393 15.5393 15.7012 15.7012 k = 0.1562 0.0953 0.9605 ( 3328 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2621 -10.2621 -10.2533 -10.2533 2.1721 2.1721 2.9602 2.9602 3.5545 3.5545 3.5768 3.5768 5.2776 5.2776 5.3258 5.3258 5.5961 5.5961 5.6382 5.6382 6.5344 6.5344 6.6560 6.6560 7.0411 7.0411 7.0746 7.0746 8.4675 8.4675 8.7900 8.7900 8.8910 8.8910 9.6966 9.6966 10.3429 10.3429 13.5119 13.5119 15.5475 15.5475 15.7656 15.7656 k = 0.1719 0.1048 0.9605 ( 3332 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2621 -10.2621 -10.2534 -10.2534 2.1722 2.1722 2.9601 2.9601 3.5549 3.5549 3.5764 3.5764 5.2767 5.2767 5.3271 5.3271 5.5975 5.5975 5.6382 5.6382 6.5338 6.5338 6.6518 6.6518 7.0405 7.0405 7.0733 7.0733 8.4707 8.4707 8.7976 8.7976 8.8836 8.8836 9.7425 9.7425 10.2918 10.2918 13.4897 13.4897 15.5545 15.5545 15.8312 15.8312 k = 0.1875 0.1143 0.9605 ( 3326 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2620 -10.2620 -10.2534 -10.2534 2.1722 2.1722 2.9601 2.9601 3.5551 3.5551 3.5761 3.5761 5.2760 5.2760 5.3282 5.3282 5.5987 5.5987 5.6383 5.6383 6.5334 6.5334 6.6482 6.6482 7.0400 7.0400 7.0722 7.0722 8.4735 8.4735 8.8055 8.8055 8.8760 8.8760 9.7907 9.7907 10.2392 10.2392 13.4707 13.4707 15.5602 15.5602 15.8965 15.8965 k = 0.2031 0.1238 0.9605 ( 3328 PWs) bands (ev): -29.3407 -29.3407 -10.6328 -10.6328 -10.2620 -10.2620 -10.2534 -10.2534 2.1723 2.1723 2.9600 2.9600 3.5554 3.5554 3.5758 3.5758 5.2754 5.2754 5.3291 5.3291 5.5997 5.5997 5.6383 5.6383 6.5330 6.5330 6.6451 6.6451 7.0396 7.0396 7.0713 7.0713 8.4758 8.4758 8.8135 8.8135 8.8684 8.8684 9.8404 9.8404 10.1858 10.1858 13.4553 13.4553 15.5647 15.5647 15.9600 15.9600 k = 0.2188 0.1334 0.9605 ( 3340 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2620 -10.2620 -10.2534 -10.2534 2.1723 2.1723 2.9600 2.9600 3.5556 3.5556 3.5756 3.5756 5.2750 5.2750 5.3298 5.3298 5.6004 5.6004 5.6383 5.6383 6.5327 6.5327 6.6429 6.6429 7.0392 7.0392 7.0707 7.0707 8.4775 8.4775 8.8213 8.8213 8.8609 8.8609 9.8901 9.8901 10.1334 10.1334 13.4440 13.4440 15.5679 15.5679 16.0203 16.0203 k = 0.2344 0.1429 0.9605 ( 3344 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2620 -10.2620 -10.2535 -10.2535 2.1723 2.1723 2.9599 2.9599 3.5556 3.5556 3.5755 3.5755 5.2747 5.2747 5.3302 5.3302 5.6009 5.6009 5.6383 5.6383 6.5326 6.5326 6.6415 6.6415 7.0390 7.0390 7.0703 7.0703 8.4785 8.4785 8.8281 8.8281 8.8542 8.8542 9.9360 9.9360 10.0858 10.0858 13.4371 13.4371 15.5698 15.5698 16.0761 16.0761 k = 0.2500 0.1524 0.9605 ( 3344 PWs) bands (ev): -29.3407 -29.3407 -10.6329 -10.6329 -10.2620 -10.2620 -10.2535 -10.2535 2.1723 2.1723 2.9599 2.9599 3.5557 3.5557 3.5755 3.5755 5.2747 5.2747 5.3303 5.3303 5.6010 5.6010 5.6383 5.6383 6.5325 6.5325 6.6410 6.6410 7.0390 7.0390 7.0702 7.0702 8.4788 8.4788 8.8318 8.8318 8.8506 8.8506 9.9596 9.9596 10.0616 10.0616 13.4347 13.4347 15.5704 15.5704 16.1268 16.1286 Writing output data file CaxSiAux2.save init_run : 0.44s CPU 0.58s WALL ( 1 calls) electrons : 340.18s CPU 344.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 340.16s CPU 344.52s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 341 calls) cegterg : 320.26s CPU 324.08s WALL ( 1065 calls) Called by sum_band: Called by *egterg: h_psi : 182.76s CPU 185.30s WALL ( 19307 calls) s_psi : 11.50s CPU 11.23s WALL ( 19307 calls) g_psi : 0.40s CPU 0.33s WALL ( 17901 calls) cdiaghg : 113.22s CPU 114.96s WALL ( 18242 calls) cegterg:over : 8.48s CPU 8.66s WALL ( 17901 calls) cegterg:upda : 8.69s CPU 8.61s WALL ( 17901 calls) cegterg:last : 3.76s CPU 3.78s WALL ( 2454 calls) cdiaghg:chol : 6.43s CPU 6.36s WALL ( 18242 calls) cdiaghg:inve : 4.16s CPU 4.19s WALL ( 18242 calls) cdiaghg:para : 6.12s CPU 6.54s WALL ( 36484 calls) Called by h_psi: h_psi:vloc : 158.44s CPU 160.82s WALL ( 19307 calls) h_psi:vnl : 23.98s CPU 24.18s WALL ( 19307 calls) add_vuspsi : 12.66s CPU 12.73s WALL ( 19307 calls) General routines calbec : 11.28s CPU 11.40s WALL ( 19307 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 140.87s CPU 143.44s WALL ( 1353476 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.22s WALL ( 682 calls) Parallel routines fft_scatter : 48.51s CPU 49.70s WALL ( 1353499 calls) PWSCF : 5m55.17s CPU 6m13.49s WALL This run was terminated on: 13:33:57 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=