Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:42:11 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: ./CaxCuGex2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 64 43 12 1257 685 109 Max 65 44 13 1259 698 111 Sum 2339 1563 459 45299 24909 3959 bravais-lattice index = 14 lattice parameter (alat) = 11.1380 a.u. unit-cell volume = 591.4498 (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 = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.138026 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.753429 celldm(5)= -0.753429 celldm(6)= 0.506858 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.506858 0.862030 0.000000 ) a(3) = ( -0.753429 -0.431015 0.496559 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.587982 1.006929 ) b(2) = ( 0.000000 1.160053 1.006929 ) b(3) = ( 0.000000 0.000000 2.013859 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 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 Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) Cu 11.00 63.54600 Cu( 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0000000 0.0186468), wk = 0.0028736 k( 3) = ( 0.0000000 0.0000000 0.0372937), wk = 0.0028736 k( 4) = ( 0.0000000 0.0000000 0.0559405), wk = 0.0028736 k( 5) = ( 0.0000000 0.0000000 0.0745874), wk = 0.0028736 k( 6) = ( 0.0000000 0.0000000 0.0932342), wk = 0.0028736 k( 7) = ( 0.0000000 0.0000000 0.1118810), wk = 0.0028736 k( 8) = ( 0.0000000 0.0000000 0.1305279), wk = 0.0028736 k( 9) = ( 0.0000000 0.0000000 0.1491747), wk = 0.0028736 k( 10) = ( 0.0000000 0.0000000 0.1678215), wk = 0.0028736 k( 11) = ( 0.0000000 0.0000000 0.1864684), wk = 0.0028736 k( 12) = ( 0.0000000 0.0000000 0.2051152), wk = 0.0028736 k( 13) = ( 0.0000000 0.0000000 0.2237621), wk = 0.0028736 k( 14) = ( 0.0000000 0.0000000 0.2424089), wk = 0.0028736 k( 15) = ( 0.0000000 0.0000000 0.2610557), wk = 0.0028736 k( 16) = ( 0.0000000 0.0000000 0.2797026), wk = 0.0028736 k( 17) = ( 0.0000000 0.0000000 0.2983494), wk = 0.0028736 k( 18) = ( 0.0000000 0.0000000 0.3169963), wk = 0.0028736 k( 19) = ( 0.0000000 0.0000000 0.3356431), wk = 0.0028736 k( 20) = ( 0.0000000 0.0000000 0.3542899), wk = 0.0028736 k( 21) = ( 0.0000000 0.0000000 0.3729368), wk = 0.0028736 k( 22) = ( 0.0000000 0.0000000 0.3915836), wk = 0.0028736 k( 23) = ( 0.0000000 0.0000000 0.4102304), wk = 0.0028736 k( 24) = ( 0.0000000 0.0000000 0.4288773), wk = 0.0028736 k( 25) = ( 0.0000000 0.0000000 0.4475241), wk = 0.0028736 k( 26) = ( 0.0000000 0.0000000 0.4661709), wk = 0.0028736 k( 27) = ( 0.0000000 0.0000000 0.4848178), wk = 0.0028736 k( 28) = ( 0.0000000 0.0000000 0.5034646), wk = 0.0028736 k( 29) = ( 0.0000000 0.0000000 0.5221115), wk = 0.0028736 k( 30) = ( 0.0000000 0.0000000 0.5407583), wk = 0.0028736 k( 31) = ( 0.0000000 0.0000000 0.5594051), wk = 0.0028736 k( 32) = ( 0.0000000 0.0000000 0.5780520), wk = 0.0028736 k( 33) = ( 0.0000000 0.0000000 0.5966988), wk = 0.0028736 k( 34) = ( 0.0000000 0.0000000 0.6153457), wk = 0.0028736 k( 35) = ( 0.0000000 0.0000000 0.6339925), wk = 0.0028736 k( 36) = ( 0.0000000 0.0000000 0.6526393), wk = 0.0028736 k( 37) = ( 0.0000000 0.0000000 0.6712862), wk = 0.0028736 k( 38) = ( 0.0000000 0.0000000 0.6899330), wk = 0.0028736 k( 39) = ( 0.0000000 0.0000000 0.7085798), wk = 0.0028736 k( 40) = ( 0.0000000 0.0000000 0.7272267), wk = 0.0028736 k( 41) = ( 0.0000000 0.0000000 0.7458735), wk = 0.0028736 k( 42) = ( 0.0000000 0.0000000 0.7645204), wk = 0.0028736 k( 43) = ( 0.0000000 0.0000000 0.7831672), wk = 0.0028736 k( 44) = ( 0.0000000 0.0000000 0.8018140), wk = 0.0028736 k( 45) = ( 0.0000000 0.0000000 0.8204609), wk = 0.0028736 k( 46) = ( 0.0000000 0.0000000 0.8391077), wk = 0.0028736 k( 47) = ( 0.0000000 0.0000000 0.8577546), wk = 0.0028736 k( 48) = ( 0.0000000 0.0000000 0.8764014), wk = 0.0028736 k( 49) = ( 0.0000000 0.0000000 0.8950482), wk = 0.0028736 k( 50) = ( 0.0000000 0.0000000 0.9136951), wk = 0.0028736 k( 51) = ( 0.0000000 0.0000000 0.9323419), wk = 0.0028736 k( 52) = ( 0.0000000 0.0000000 0.9509887), wk = 0.0028736 k( 53) = ( 0.0000000 0.0000000 0.9696356), wk = 0.0028736 k( 54) = ( 0.0000000 0.0000000 0.9882824), wk = 0.0028736 k( 55) = ( 0.0000000 0.0000000 1.0069293), wk = 0.0028736 k( 56) = ( 0.0000000 0.0000000 1.0069293), wk = 0.0028736 k( 57) = ( -0.0090907 0.0158909 1.0069293), wk = 0.0028736 k( 58) = ( -0.0181814 0.0317817 1.0069293), wk = 0.0028736 k( 59) = ( -0.0272721 0.0476726 1.0069293), wk = 0.0028736 k( 60) = ( -0.0363628 0.0635634 1.0069293), wk = 0.0028736 k( 61) = ( -0.0454535 0.0794543 1.0069293), wk = 0.0028736 k( 62) = ( -0.0545442 0.0953451 1.0069293), wk = 0.0028736 k( 63) = ( -0.0636349 0.1112360 1.0069293), wk = 0.0028736 k( 64) = ( -0.0727256 0.1271269 1.0069293), wk = 0.0028736 k( 65) = ( -0.0818163 0.1430177 1.0069293), wk = 0.0028736 k( 66) = ( -0.0818163 0.1430177 1.0069293), wk = 0.0028736 k( 67) = ( -0.0883504 0.1544396 0.9937705), wk = 0.0028736 k( 68) = ( -0.0948845 0.1658615 0.9806117), wk = 0.0028736 k( 69) = ( -0.1014186 0.1772833 0.9674529), wk = 0.0028736 k( 70) = ( -0.1079528 0.1887052 0.9542941), wk = 0.0028736 k( 71) = ( -0.1144869 0.2001271 0.9411353), wk = 0.0028736 k( 72) = ( -0.1210210 0.2115490 0.9279765), wk = 0.0028736 k( 73) = ( -0.1275551 0.2229708 0.9148177), wk = 0.0028736 k( 74) = ( -0.1340893 0.2343927 0.9016589), wk = 0.0028736 k( 75) = ( -0.1406234 0.2458146 0.8885001), wk = 0.0028736 k( 76) = ( -0.1471575 0.2572365 0.8753413), wk = 0.0028736 k( 77) = ( -0.1536916 0.2686583 0.8621825), wk = 0.0028736 k( 78) = ( -0.1602257 0.2800802 0.8490237), wk = 0.0028736 k( 79) = ( -0.1667599 0.2915021 0.8358649), wk = 0.0028736 k( 80) = ( -0.1732940 0.3029239 0.8227061), wk = 0.0028736 k( 81) = ( -0.1798281 0.3143458 0.8095473), wk = 0.0028736 k( 82) = ( -0.1863622 0.3257677 0.7963885), wk = 0.0028736 k( 83) = ( -0.1928963 0.3371895 0.7832298), wk = 0.0028736 k( 84) = ( -0.1994305 0.3486114 0.7700710), wk = 0.0028736 k( 85) = ( -0.2059646 0.3600333 0.7569122), wk = 0.0028736 k( 86) = ( -0.2124987 0.3714552 0.7437534), wk = 0.0028736 k( 87) = ( -0.2190328 0.3828770 0.7305946), wk = 0.0028736 k( 88) = ( -0.2255669 0.3942989 0.7174358), wk = 0.0028736 k( 89) = ( -0.2321011 0.4057208 0.7042770), wk = 0.0028736 k( 90) = ( -0.2386352 0.4171426 0.6911182), wk = 0.0028736 k( 91) = ( -0.2451693 0.4285645 0.6779594), wk = 0.0028736 k( 92) = ( -0.2517034 0.4399864 0.6648006), wk = 0.0028736 k( 93) = ( -0.2582375 0.4514082 0.6516418), wk = 0.0028736 k( 94) = ( -0.2647717 0.4628301 0.6384830), wk = 0.0028736 k( 95) = ( -0.2713058 0.4742520 0.6253242), wk = 0.0028736 k( 96) = ( -0.2778399 0.4856739 0.6121654), wk = 0.0028736 k( 97) = ( -0.2843740 0.4970957 0.5990066), wk = 0.0028736 k( 98) = ( -0.2909081 0.5085176 0.5858479), wk = 0.0028736 k( 99) = ( -0.2909081 0.5085176 0.5858479), wk = 0.0028736 k( 100) = ( -0.2844435 0.4972172 0.5728290), wk = 0.0028736 k( 101) = ( -0.2779789 0.4859168 0.5598102), wk = 0.0028736 k( 102) = ( -0.2715143 0.4746164 0.5467913), wk = 0.0028736 k( 103) = ( -0.2650496 0.4633160 0.5337725), wk = 0.0028736 k( 104) = ( -0.2585850 0.4520156 0.5207536), wk = 0.0028736 k( 105) = ( -0.2521204 0.4407152 0.5077348), wk = 0.0028736 k( 106) = ( -0.2456558 0.4294149 0.4947160), wk = 0.0028736 k( 107) = ( -0.2391911 0.4181145 0.4816971), wk = 0.0028736 k( 108) = ( -0.2327265 0.4068141 0.4686783), wk = 0.0028736 k( 109) = ( -0.2262619 0.3955137 0.4556594), wk = 0.0028736 k( 110) = ( -0.2197973 0.3842133 0.4426406), wk = 0.0028736 k( 111) = ( -0.2133326 0.3729129 0.4296218), wk = 0.0028736 k( 112) = ( -0.2068680 0.3616125 0.4166029), wk = 0.0028736 k( 113) = ( -0.2004034 0.3503121 0.4035841), wk = 0.0028736 k( 114) = ( -0.1939388 0.3390117 0.3905652), wk = 0.0028736 k( 115) = ( -0.1874741 0.3277113 0.3775464), wk = 0.0028736 k( 116) = ( -0.1810095 0.3164109 0.3645275), wk = 0.0028736 k( 117) = ( -0.1745449 0.3051106 0.3515087), wk = 0.0028736 k( 118) = ( -0.1680803 0.2938102 0.3384899), wk = 0.0028736 k( 119) = ( -0.1616156 0.2825098 0.3254710), wk = 0.0028736 k( 120) = ( -0.1551510 0.2712094 0.3124522), wk = 0.0028736 k( 121) = ( -0.1486864 0.2599090 0.2994334), wk = 0.0028736 k( 122) = ( -0.1422218 0.2486086 0.2864145), wk = 0.0028736 k( 123) = ( -0.1357571 0.2373082 0.2733957), wk = 0.0028736 k( 124) = ( -0.1292925 0.2260078 0.2603768), wk = 0.0028736 k( 125) = ( -0.1228279 0.2147074 0.2473580), wk = 0.0028736 k( 126) = ( -0.1163633 0.2034070 0.2343391), wk = 0.0028736 k( 127) = ( -0.1098986 0.1921066 0.2213203), wk = 0.0028736 k( 128) = ( -0.1034340 0.1808063 0.2083015), wk = 0.0028736 k( 129) = ( -0.0969694 0.1695059 0.1952826), wk = 0.0028736 k( 130) = ( -0.0905048 0.1582055 0.1822638), wk = 0.0028736 k( 131) = ( -0.0840401 0.1469051 0.1692449), wk = 0.0028736 k( 132) = ( -0.0775755 0.1356047 0.1562261), wk = 0.0028736 k( 133) = ( -0.0711109 0.1243043 0.1432073), wk = 0.0028736 k( 134) = ( -0.0646463 0.1130039 0.1301884), wk = 0.0028736 k( 135) = ( -0.0581816 0.1017035 0.1171696), wk = 0.0028736 k( 136) = ( -0.0517170 0.0904031 0.1041507), wk = 0.0028736 k( 137) = ( -0.0452524 0.0791027 0.0911319), wk = 0.0028736 k( 138) = ( -0.0387878 0.0678023 0.0781130), wk = 0.0028736 k( 139) = ( -0.0323231 0.0565020 0.0650942), wk = 0.0028736 k( 140) = ( -0.0258585 0.0452016 0.0520754), wk = 0.0028736 k( 141) = ( -0.0193939 0.0339012 0.0390565), wk = 0.0028736 k( 142) = ( -0.0129292 0.0226008 0.0260377), wk = 0.0028736 k( 143) = ( -0.0064646 0.0113004 0.0130189), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 146) = ( 0.0161290 0.0092269 0.0000000), wk = 0.0028736 k( 147) = ( 0.0322581 0.0184539 0.0000000), wk = 0.0028736 k( 148) = ( 0.0483871 0.0276809 0.0000000), wk = 0.0028736 k( 149) = ( 0.0645161 0.0369078 0.0000000), wk = 0.0028736 k( 150) = ( 0.0806452 0.0461348 0.0000000), wk = 0.0028736 k( 151) = ( 0.0967742 0.0553617 -0.0000000), wk = 0.0028736 k( 152) = ( 0.1129032 0.0645887 -0.0000000), wk = 0.0028736 k( 153) = ( 0.1290323 0.0738156 0.0000000), wk = 0.0028736 k( 154) = ( 0.1451613 0.0830426 0.0000000), wk = 0.0028736 k( 155) = ( 0.1612903 0.0922695 0.0000000), wk = 0.0028736 k( 156) = ( 0.1774194 0.1014965 0.0000000), wk = 0.0028736 k( 157) = ( 0.1935484 0.1107234 -0.0000000), wk = 0.0028736 k( 158) = ( 0.2096774 0.1199504 0.0000000), wk = 0.0028736 k( 159) = ( 0.2258064 0.1291773 0.0000000), wk = 0.0028736 k( 160) = ( 0.2419355 0.1384043 0.0000000), wk = 0.0028736 k( 161) = ( 0.2580645 0.1476312 0.0000000), wk = 0.0028736 k( 162) = ( 0.2741936 0.1568582 0.0000000), wk = 0.0028736 k( 163) = ( 0.2903226 0.1660851 0.0000000), wk = 0.0028736 k( 164) = ( 0.3064516 0.1753121 0.0000000), wk = 0.0028736 k( 165) = ( 0.3225807 0.1845390 -0.0000000), wk = 0.0028736 k( 166) = ( 0.3387097 0.1937660 -0.0000000), wk = 0.0028736 k( 167) = ( 0.3548387 0.2029929 -0.0000000), wk = 0.0028736 k( 168) = ( 0.3709677 0.2122199 -0.0000000), wk = 0.0028736 k( 169) = ( 0.3870968 0.2214468 -0.0000000), wk = 0.0028736 k( 170) = ( 0.4032258 0.2306738 0.0000000), wk = 0.0028736 k( 171) = ( 0.4193548 0.2399007 0.0000000), wk = 0.0028736 k( 172) = ( 0.4354839 0.2491277 0.0000000), wk = 0.0028736 k( 173) = ( 0.4516129 0.2583546 0.0000000), wk = 0.0028736 k( 174) = ( 0.4677419 0.2675816 0.0000000), wk = 0.0028736 k( 175) = ( 0.4838710 0.2768085 0.0000000), wk = 0.0028736 k( 176) = ( 0.5000000 0.2860355 0.0000000), wk = 0.0028736 k( 177) = ( 0.5000000 0.2860355 0.0000000), wk = 0.0028736 k( 178) = ( 0.4934659 0.2974573 0.0131588), wk = 0.0028736 k( 179) = ( 0.4869318 0.3088792 0.0263176), wk = 0.0028736 k( 180) = ( 0.4803976 0.3203011 0.0394764), wk = 0.0028736 k( 181) = ( 0.4738635 0.3317230 0.0526352), wk = 0.0028736 k( 182) = ( 0.4673294 0.3431448 0.0657940), wk = 0.0028736 k( 183) = ( 0.4607953 0.3545667 0.0789528), wk = 0.0028736 k( 184) = ( 0.4542612 0.3659886 0.0921116), wk = 0.0028736 k( 185) = ( 0.4477270 0.3774104 0.1052703), wk = 0.0028736 k( 186) = ( 0.4411929 0.3888323 0.1184291), wk = 0.0028736 k( 187) = ( 0.4346588 0.4002542 0.1315879), wk = 0.0028736 k( 188) = ( 0.4281247 0.4116760 0.1447467), wk = 0.0028736 k( 189) = ( 0.4215906 0.4230979 0.1579055), wk = 0.0028736 k( 190) = ( 0.4150564 0.4345198 0.1710643), wk = 0.0028736 k( 191) = ( 0.4085223 0.4459417 0.1842231), wk = 0.0028736 k( 192) = ( 0.4019882 0.4573635 0.1973819), wk = 0.0028736 k( 193) = ( 0.3954541 0.4687854 0.2105407), wk = 0.0028736 k( 194) = ( 0.3889200 0.4802073 0.2236995), wk = 0.0028736 k( 195) = ( 0.3823858 0.4916292 0.2368583), wk = 0.0028736 k( 196) = ( 0.3758517 0.5030510 0.2500171), wk = 0.0028736 k( 197) = ( 0.3693176 0.5144729 0.2631759), wk = 0.0028736 k( 198) = ( 0.3627835 0.5258948 0.2763347), wk = 0.0028736 k( 199) = ( 0.3562494 0.5373166 0.2894935), wk = 0.0028736 k( 200) = ( 0.3497152 0.5487385 0.3026523), wk = 0.0028736 k( 201) = ( 0.3431811 0.5601604 0.3158111), wk = 0.0028736 k( 202) = ( 0.3366470 0.5715822 0.3289699), wk = 0.0028736 k( 203) = ( 0.3301129 0.5830041 0.3421286), wk = 0.0028736 k( 204) = ( 0.3235788 0.5944260 0.3552874), wk = 0.0028736 k( 205) = ( 0.3170446 0.6058479 0.3684462), wk = 0.0028736 k( 206) = ( 0.3105105 0.6172697 0.3816050), wk = 0.0028736 k( 207) = ( 0.3039764 0.6286916 0.3947638), wk = 0.0028736 k( 208) = ( 0.2974423 0.6401135 0.4079226), wk = 0.0028736 k( 209) = ( 0.2909081 0.6515353 0.4210814), wk = 0.0028736 k( 210) = ( 0.2909081 0.6515353 0.4210814), wk = 0.0028736 k( 211) = ( 0.2737959 0.6473289 0.4259275), wk = 0.0028736 k( 212) = ( 0.2566837 0.6431225 0.4307736), wk = 0.0028736 k( 213) = ( 0.2395714 0.6389161 0.4356196), wk = 0.0028736 k( 214) = ( 0.2224592 0.6347097 0.4404657), wk = 0.0028736 k( 215) = ( 0.2053469 0.6305033 0.4453118), wk = 0.0028736 k( 216) = ( 0.1882347 0.6262969 0.4501578), wk = 0.0028736 k( 217) = ( 0.1711224 0.6220905 0.4550039), wk = 0.0028736 k( 218) = ( 0.1540102 0.6178841 0.4598500), wk = 0.0028736 k( 219) = ( 0.1368979 0.6136777 0.4646961), wk = 0.0028736 k( 220) = ( 0.1197857 0.6094713 0.4695421), wk = 0.0028736 k( 221) = ( 0.1026735 0.6052649 0.4743882), wk = 0.0028736 k( 222) = ( 0.0855612 0.6010585 0.4792343), wk = 0.0028736 k( 223) = ( 0.0684490 0.5968521 0.4840803), wk = 0.0028736 k( 224) = ( 0.0513367 0.5926457 0.4889264), wk = 0.0028736 k( 225) = ( 0.0342245 0.5884393 0.4937725), wk = 0.0028736 k( 226) = ( 0.0171122 0.5842329 0.4986186), wk = 0.0028736 k( 227) = ( 0.0000000 0.5800265 0.5034646), wk = 0.0028736 k( 228) = ( 0.0000000 0.5800265 0.5034646), wk = 0.0028736 k( 229) = ( 0.0065790 0.5685262 0.5167137), wk = 0.0028736 k( 230) = ( 0.0131579 0.5570260 0.5299628), wk = 0.0028736 k( 231) = ( 0.0197368 0.5455258 0.5432118), wk = 0.0028736 k( 232) = ( 0.0263158 0.5340255 0.5564609), wk = 0.0028736 k( 233) = ( 0.0328947 0.5225253 0.5697100), wk = 0.0028736 k( 234) = ( 0.0394737 0.5110251 0.5829590), wk = 0.0028736 k( 235) = ( 0.0460526 0.4995249 0.5962081), wk = 0.0028736 k( 236) = ( 0.0526316 0.4880246 0.6094572), wk = 0.0028736 k( 237) = ( 0.0592105 0.4765244 0.6227063), wk = 0.0028736 k( 238) = ( 0.0657895 0.4650242 0.6359553), wk = 0.0028736 k( 239) = ( 0.0723684 0.4535239 0.6492044), wk = 0.0028736 k( 240) = ( 0.0789474 0.4420237 0.6624535), wk = 0.0028736 k( 241) = ( 0.0855263 0.4305235 0.6757025), wk = 0.0028736 k( 242) = ( 0.0921053 0.4190233 0.6889516), wk = 0.0028736 k( 243) = ( 0.0986842 0.4075230 0.7022007), wk = 0.0028736 k( 244) = ( 0.1052632 0.3960228 0.7154497), wk = 0.0028736 k( 245) = ( 0.1118421 0.3845226 0.7286988), wk = 0.0028736 k( 246) = ( 0.1184210 0.3730223 0.7419479), wk = 0.0028736 k( 247) = ( 0.1250000 0.3615221 0.7551969), wk = 0.0028736 k( 248) = ( 0.1315790 0.3500219 0.7684460), wk = 0.0028736 k( 249) = ( 0.1381579 0.3385217 0.7816951), wk = 0.0028736 k( 250) = ( 0.1447368 0.3270214 0.7949441), wk = 0.0028736 k( 251) = ( 0.1513158 0.3155212 0.8081932), wk = 0.0028736 k( 252) = ( 0.1578947 0.3040209 0.8214423), wk = 0.0028736 k( 253) = ( 0.1644737 0.2925207 0.8346914), wk = 0.0028736 k( 254) = ( 0.1710526 0.2810205 0.8479404), wk = 0.0028736 k( 255) = ( 0.1776316 0.2695203 0.8611895), wk = 0.0028736 k( 256) = ( 0.1842105 0.2580200 0.8744386), wk = 0.0028736 k( 257) = ( 0.1907895 0.2465198 0.8876876), wk = 0.0028736 k( 258) = ( 0.1973684 0.2350196 0.9009367), wk = 0.0028736 k( 259) = ( 0.2039474 0.2235193 0.9141858), wk = 0.0028736 k( 260) = ( 0.2105263 0.2120191 0.9274349), wk = 0.0028736 k( 261) = ( 0.2171053 0.2005189 0.9406839), wk = 0.0028736 k( 262) = ( 0.2236842 0.1890187 0.9539330), wk = 0.0028736 k( 263) = ( 0.2302632 0.1775184 0.9671821), wk = 0.0028736 k( 264) = ( 0.2368421 0.1660182 0.9804311), wk = 0.0028736 k( 265) = ( 0.2434210 0.1545180 0.9936802), wk = 0.0028736 k( 266) = ( 0.2500000 0.1430177 1.0069293), wk = 0.0028736 k( 267) = ( 0.2500000 0.1430177 1.0069293), wk = 0.0028736 k( 268) = ( 0.2638889 0.1509632 0.9977756), wk = 0.0028736 k( 269) = ( 0.2777778 0.1589086 0.9886219), wk = 0.0028736 k( 270) = ( 0.2916667 0.1668540 0.9794682), wk = 0.0028736 k( 271) = ( 0.3055556 0.1747995 0.9703145), wk = 0.0028736 k( 272) = ( 0.3194444 0.1827449 0.9611608), wk = 0.0028736 k( 273) = ( 0.3333333 0.1906903 0.9520071), wk = 0.0028736 k( 274) = ( 0.3472222 0.1986357 0.9428534), wk = 0.0028736 k( 275) = ( 0.3611111 0.2065812 0.9336997), wk = 0.0028736 k( 276) = ( 0.3750000 0.2145266 0.9245460), wk = 0.0028736 k( 277) = ( 0.3888889 0.2224720 0.9153924), wk = 0.0028736 k( 278) = ( 0.4027778 0.2304175 0.9062387), wk = 0.0028736 k( 279) = ( 0.4166667 0.2383629 0.8970850), wk = 0.0028736 k( 280) = ( 0.4305556 0.2463083 0.8879313), wk = 0.0028736 k( 281) = ( 0.4444444 0.2542538 0.8787776), wk = 0.0028736 k( 282) = ( 0.4583333 0.2621992 0.8696239), wk = 0.0028736 k( 283) = ( 0.4722222 0.2701446 0.8604702), wk = 0.0028736 k( 284) = ( 0.4861111 0.2780900 0.8513165), wk = 0.0028736 k( 285) = ( 0.5000000 0.2860355 0.8421628), wk = 0.0028736 k( 286) = ( 0.5000000 0.2860355 0.8421628), wk = 0.0028736 k( 287) = ( 0.5000000 0.2860355 0.8234481), wk = 0.0028736 k( 288) = ( 0.5000000 0.2860355 0.8047334), wk = 0.0028736 k( 289) = ( 0.5000000 0.2860355 0.7860186), wk = 0.0028736 k( 290) = ( 0.5000000 0.2860355 0.7673039), wk = 0.0028736 k( 291) = ( 0.5000000 0.2860355 0.7485892), wk = 0.0028736 k( 292) = ( 0.5000000 0.2860355 0.7298744), wk = 0.0028736 k( 293) = ( 0.5000000 0.2860355 0.7111597), wk = 0.0028736 k( 294) = ( 0.5000000 0.2860355 0.6924450), wk = 0.0028736 k( 295) = ( 0.5000000 0.2860355 0.6737303), wk = 0.0028736 k( 296) = ( 0.5000000 0.2860355 0.6550155), wk = 0.0028736 k( 297) = ( 0.5000000 0.2860355 0.6363008), wk = 0.0028736 k( 298) = ( 0.5000000 0.2860355 0.6175861), wk = 0.0028736 k( 299) = ( 0.5000000 0.2860355 0.5988713), wk = 0.0028736 k( 300) = ( 0.5000000 0.2860355 0.5801566), wk = 0.0028736 k( 301) = ( 0.5000000 0.2860355 0.5614419), wk = 0.0028736 k( 302) = ( 0.5000000 0.2860355 0.5427272), wk = 0.0028736 k( 303) = ( 0.5000000 0.2860355 0.5240124), wk = 0.0028736 k( 304) = ( 0.5000000 0.2860355 0.5052977), wk = 0.0028736 k( 305) = ( 0.5000000 0.2860355 0.4865830), wk = 0.0028736 k( 306) = ( 0.5000000 0.2860355 0.4678682), wk = 0.0028736 k( 307) = ( 0.5000000 0.2860355 0.4491535), wk = 0.0028736 k( 308) = ( 0.5000000 0.2860355 0.4304388), wk = 0.0028736 k( 309) = ( 0.5000000 0.2860355 0.4117240), wk = 0.0028736 k( 310) = ( 0.5000000 0.2860355 0.3930093), wk = 0.0028736 k( 311) = ( 0.5000000 0.2860355 0.3742946), wk = 0.0028736 k( 312) = ( 0.5000000 0.2860355 0.3555798), wk = 0.0028736 k( 313) = ( 0.5000000 0.2860355 0.3368651), wk = 0.0028736 k( 314) = ( 0.5000000 0.2860355 0.3181504), wk = 0.0028736 k( 315) = ( 0.5000000 0.2860355 0.2994357), wk = 0.0028736 k( 316) = ( 0.5000000 0.2860355 0.2807209), wk = 0.0028736 k( 317) = ( 0.5000000 0.2860355 0.2620062), wk = 0.0028736 k( 318) = ( 0.5000000 0.2860355 0.2432915), wk = 0.0028736 k( 319) = ( 0.5000000 0.2860355 0.2245768), wk = 0.0028736 k( 320) = ( 0.5000000 0.2860355 0.2058620), wk = 0.0028736 k( 321) = ( 0.5000000 0.2860355 0.1871473), wk = 0.0028736 k( 322) = ( 0.5000000 0.2860355 0.1684326), wk = 0.0028736 k( 323) = ( 0.5000000 0.2860355 0.1497178), wk = 0.0028736 k( 324) = ( 0.5000000 0.2860355 0.1310031), wk = 0.0028736 k( 325) = ( 0.5000000 0.2860355 0.1122884), wk = 0.0028736 k( 326) = ( 0.5000000 0.2860355 0.0935737), wk = 0.0028736 k( 327) = ( 0.5000000 0.2860355 0.0748589), wk = 0.0028736 k( 328) = ( 0.5000000 0.2860355 0.0561442), wk = 0.0028736 k( 329) = ( 0.5000000 0.2860355 0.0374295), wk = 0.0028736 k( 330) = ( 0.5000000 0.2860355 0.0187147), wk = 0.0028736 k( 331) = ( 0.5000000 0.2860355 0.0000000), wk = 0.0028736 k( 332) = ( 0.0000000 0.0000000 1.0069293), wk = 0.0028736 k( 333) = ( 0.0156250 0.0089386 1.0069293), wk = 0.0028736 k( 334) = ( 0.0312500 0.0178772 1.0069293), wk = 0.0028736 k( 335) = ( 0.0468750 0.0268158 1.0069293), wk = 0.0028736 k( 336) = ( 0.0625000 0.0357544 1.0069293), wk = 0.0028736 k( 337) = ( 0.0781250 0.0446930 1.0069293), wk = 0.0028736 k( 338) = ( 0.0937500 0.0536317 1.0069293), wk = 0.0028736 k( 339) = ( 0.1093750 0.0625703 1.0069293), wk = 0.0028736 k( 340) = ( 0.1250000 0.0715089 1.0069293), wk = 0.0028736 k( 341) = ( 0.1406250 0.0804475 1.0069293), wk = 0.0028736 k( 342) = ( 0.1562500 0.0893861 1.0069293), wk = 0.0028736 k( 343) = ( 0.1718750 0.0983247 1.0069293), wk = 0.0028736 k( 344) = ( 0.1875000 0.1072633 1.0069293), wk = 0.0028736 k( 345) = ( 0.2031250 0.1162019 1.0069293), wk = 0.0028736 k( 346) = ( 0.2187500 0.1251405 1.0069293), wk = 0.0028736 k( 347) = ( 0.2343750 0.1340791 1.0069293), wk = 0.0028736 k( 348) = ( 0.2500000 0.1430177 1.0069293), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0028736 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0028736 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028736 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0028736 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0028736 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028736 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0028736 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0028736 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028736 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0028736 k( 12) = ( 0.0000000 0.0000000 0.1018519), wk = 0.0028736 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028736 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0028736 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0028736 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028736 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0028736 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0028736 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028736 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0028736 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0028736 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028736 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0028736 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0028736 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028736 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0028736 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0028736 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028736 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0028736 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0028736 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028736 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0028736 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0028736 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028736 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0028736 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0028736 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028736 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0028736 k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0028736 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028736 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0028736 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0028736 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028736 k( 44) = ( 0.0000000 0.0000000 0.3981482), wk = 0.0028736 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0028736 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028736 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0028736 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0028736 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028736 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0028736 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0028736 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028736 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0028736 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0028736 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 57) = ( -0.0090907 0.0090907 0.5000000), wk = 0.0028736 k( 58) = ( -0.0181814 0.0181814 0.5000000), wk = 0.0028736 k( 59) = ( -0.0272721 0.0272721 0.5000000), wk = 0.0028736 k( 60) = ( -0.0363628 0.0363628 0.5000000), wk = 0.0028736 k( 61) = ( -0.0454535 0.0454535 0.5000000), wk = 0.0028736 k( 62) = ( -0.0545442 0.0545442 0.5000000), wk = 0.0028736 k( 63) = ( -0.0636349 0.0636349 0.5000000), wk = 0.0028736 k( 64) = ( -0.0727256 0.0727256 0.5000000), wk = 0.0028736 k( 65) = ( -0.0818163 0.0818163 0.5000000), wk = 0.0028736 k( 66) = ( -0.0818163 0.0818163 0.5000000), wk = 0.0028736 k( 67) = ( -0.0883504 0.0883504 0.4934659), wk = 0.0028736 k( 68) = ( -0.0948845 0.0948845 0.4869318), wk = 0.0028736 k( 69) = ( -0.1014186 0.1014186 0.4803976), wk = 0.0028736 k( 70) = ( -0.1079528 0.1079528 0.4738635), wk = 0.0028736 k( 71) = ( -0.1144869 0.1144869 0.4673294), wk = 0.0028736 k( 72) = ( -0.1210210 0.1210210 0.4607953), wk = 0.0028736 k( 73) = ( -0.1275551 0.1275551 0.4542612), wk = 0.0028736 k( 74) = ( -0.1340893 0.1340893 0.4477270), wk = 0.0028736 k( 75) = ( -0.1406234 0.1406234 0.4411929), wk = 0.0028736 k( 76) = ( -0.1471575 0.1471575 0.4346588), wk = 0.0028736 k( 77) = ( -0.1536916 0.1536916 0.4281247), wk = 0.0028736 k( 78) = ( -0.1602257 0.1602257 0.4215906), wk = 0.0028736 k( 79) = ( -0.1667599 0.1667599 0.4150564), wk = 0.0028736 k( 80) = ( -0.1732940 0.1732940 0.4085223), wk = 0.0028736 k( 81) = ( -0.1798281 0.1798281 0.4019882), wk = 0.0028736 k( 82) = ( -0.1863622 0.1863622 0.3954541), wk = 0.0028736 k( 83) = ( -0.1928963 0.1928963 0.3889200), wk = 0.0028736 k( 84) = ( -0.1994305 0.1994305 0.3823858), wk = 0.0028736 k( 85) = ( -0.2059646 0.2059646 0.3758517), wk = 0.0028736 k( 86) = ( -0.2124987 0.2124987 0.3693176), wk = 0.0028736 k( 87) = ( -0.2190328 0.2190328 0.3627835), wk = 0.0028736 k( 88) = ( -0.2255669 0.2255669 0.3562494), wk = 0.0028736 k( 89) = ( -0.2321011 0.2321011 0.3497152), wk = 0.0028736 k( 90) = ( -0.2386352 0.2386352 0.3431811), wk = 0.0028736 k( 91) = ( -0.2451693 0.2451693 0.3366470), wk = 0.0028736 k( 92) = ( -0.2517034 0.2517034 0.3301129), wk = 0.0028736 k( 93) = ( -0.2582375 0.2582375 0.3235788), wk = 0.0028736 k( 94) = ( -0.2647717 0.2647717 0.3170446), wk = 0.0028736 k( 95) = ( -0.2713058 0.2713058 0.3105105), wk = 0.0028736 k( 96) = ( -0.2778399 0.2778399 0.3039764), wk = 0.0028736 k( 97) = ( -0.2843740 0.2843740 0.2974423), wk = 0.0028736 k( 98) = ( -0.2909081 0.2909081 0.2909082), wk = 0.0028736 k( 99) = ( -0.2909081 0.2909081 0.2909082), wk = 0.0028736 k( 100) = ( -0.2844435 0.2844435 0.2844435), wk = 0.0028736 k( 101) = ( -0.2779789 0.2779789 0.2779789), wk = 0.0028736 k( 102) = ( -0.2715143 0.2715143 0.2715143), wk = 0.0028736 k( 103) = ( -0.2650496 0.2650496 0.2650496), wk = 0.0028736 k( 104) = ( -0.2585850 0.2585850 0.2585850), wk = 0.0028736 k( 105) = ( -0.2521204 0.2521204 0.2521204), wk = 0.0028736 k( 106) = ( -0.2456558 0.2456558 0.2456558), wk = 0.0028736 k( 107) = ( -0.2391911 0.2391911 0.2391911), wk = 0.0028736 k( 108) = ( -0.2327265 0.2327265 0.2327265), wk = 0.0028736 k( 109) = ( -0.2262619 0.2262619 0.2262619), wk = 0.0028736 k( 110) = ( -0.2197973 0.2197973 0.2197973), wk = 0.0028736 k( 111) = ( -0.2133326 0.2133326 0.2133326), wk = 0.0028736 k( 112) = ( -0.2068680 0.2068680 0.2068680), wk = 0.0028736 k( 113) = ( -0.2004034 0.2004034 0.2004034), wk = 0.0028736 k( 114) = ( -0.1939388 0.1939388 0.1939388), wk = 0.0028736 k( 115) = ( -0.1874741 0.1874741 0.1874741), wk = 0.0028736 k( 116) = ( -0.1810095 0.1810095 0.1810095), wk = 0.0028736 k( 117) = ( -0.1745449 0.1745449 0.1745449), wk = 0.0028736 k( 118) = ( -0.1680803 0.1680803 0.1680803), wk = 0.0028736 k( 119) = ( -0.1616156 0.1616156 0.1616156), wk = 0.0028736 k( 120) = ( -0.1551510 0.1551510 0.1551510), wk = 0.0028736 k( 121) = ( -0.1486864 0.1486864 0.1486864), wk = 0.0028736 k( 122) = ( -0.1422218 0.1422218 0.1422218), wk = 0.0028736 k( 123) = ( -0.1357571 0.1357571 0.1357571), wk = 0.0028736 k( 124) = ( -0.1292925 0.1292925 0.1292925), wk = 0.0028736 k( 125) = ( -0.1228279 0.1228279 0.1228279), wk = 0.0028736 k( 126) = ( -0.1163633 0.1163633 0.1163633), wk = 0.0028736 k( 127) = ( -0.1098986 0.1098986 0.1098986), wk = 0.0028736 k( 128) = ( -0.1034340 0.1034340 0.1034340), wk = 0.0028736 k( 129) = ( -0.0969694 0.0969694 0.0969694), wk = 0.0028736 k( 130) = ( -0.0905048 0.0905048 0.0905048), wk = 0.0028736 k( 131) = ( -0.0840401 0.0840401 0.0840401), wk = 0.0028736 k( 132) = ( -0.0775755 0.0775755 0.0775755), wk = 0.0028736 k( 133) = ( -0.0711109 0.0711109 0.0711109), wk = 0.0028736 k( 134) = ( -0.0646463 0.0646462 0.0646463), wk = 0.0028736 k( 135) = ( -0.0581816 0.0581816 0.0581816), wk = 0.0028736 k( 136) = ( -0.0517170 0.0517170 0.0517170), wk = 0.0028736 k( 137) = ( -0.0452524 0.0452524 0.0452524), wk = 0.0028736 k( 138) = ( -0.0387878 0.0387877 0.0387878), wk = 0.0028736 k( 139) = ( -0.0323231 0.0323231 0.0323231), wk = 0.0028736 k( 140) = ( -0.0258585 0.0258585 0.0258585), wk = 0.0028736 k( 141) = ( -0.0193939 0.0193939 0.0193939), wk = 0.0028736 k( 142) = ( -0.0129292 0.0129292 0.0129293), wk = 0.0028736 k( 143) = ( -0.0064646 0.0064646 0.0064646), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 146) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0028736 k( 147) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0028736 k( 148) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0028736 k( 149) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0028736 k( 150) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0028736 k( 151) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0028736 k( 152) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0028736 k( 153) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0028736 k( 154) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0028736 k( 155) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0028736 k( 156) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0028736 k( 157) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0028736 k( 158) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0028736 k( 159) = ( 0.2258064 0.2258064 -0.2258065), wk = 0.0028736 k( 160) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0028736 k( 161) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0028736 k( 162) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0028736 k( 163) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0028736 k( 164) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0028736 k( 165) = ( 0.3225807 0.3225806 -0.3225807), wk = 0.0028736 k( 166) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0028736 k( 167) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0028736 k( 168) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0028736 k( 169) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0028736 k( 170) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0028736 k( 171) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0028736 k( 172) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0028736 k( 173) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0028736 k( 174) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0028736 k( 175) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0028736 k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028736 k( 177) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028736 k( 178) = ( 0.4934659 0.5065341 -0.4934659), wk = 0.0028736 k( 179) = ( 0.4869318 0.5130682 -0.4869318), wk = 0.0028736 k( 180) = ( 0.4803976 0.5196024 -0.4803976), wk = 0.0028736 k( 181) = ( 0.4738635 0.5261365 -0.4738635), wk = 0.0028736 k( 182) = ( 0.4673294 0.5326706 -0.4673294), wk = 0.0028736 k( 183) = ( 0.4607953 0.5392047 -0.4607953), wk = 0.0028736 k( 184) = ( 0.4542612 0.5457388 -0.4542612), wk = 0.0028736 k( 185) = ( 0.4477270 0.5522730 -0.4477270), wk = 0.0028736 k( 186) = ( 0.4411929 0.5588071 -0.4411929), wk = 0.0028736 k( 187) = ( 0.4346588 0.5653412 -0.4346588), wk = 0.0028736 k( 188) = ( 0.4281247 0.5718753 -0.4281247), wk = 0.0028736 k( 189) = ( 0.4215906 0.5784094 -0.4215906), wk = 0.0028736 k( 190) = ( 0.4150564 0.5849436 -0.4150564), wk = 0.0028736 k( 191) = ( 0.4085223 0.5914777 -0.4085223), wk = 0.0028736 k( 192) = ( 0.4019882 0.5980118 -0.4019882), wk = 0.0028736 k( 193) = ( 0.3954541 0.6045459 -0.3954541), wk = 0.0028736 k( 194) = ( 0.3889200 0.6110801 -0.3889200), wk = 0.0028736 k( 195) = ( 0.3823858 0.6176142 -0.3823858), wk = 0.0028736 k( 196) = ( 0.3758517 0.6241483 -0.3758517), wk = 0.0028736 k( 197) = ( 0.3693176 0.6306824 -0.3693176), wk = 0.0028736 k( 198) = ( 0.3627835 0.6372165 -0.3627835), wk = 0.0028736 k( 199) = ( 0.3562494 0.6437506 -0.3562494), wk = 0.0028736 k( 200) = ( 0.3497152 0.6502848 -0.3497152), wk = 0.0028736 k( 201) = ( 0.3431811 0.6568189 -0.3431811), wk = 0.0028736 k( 202) = ( 0.3366470 0.6633530 -0.3366470), wk = 0.0028736 k( 203) = ( 0.3301129 0.6698871 -0.3301129), wk = 0.0028736 k( 204) = ( 0.3235788 0.6764212 -0.3235788), wk = 0.0028736 k( 205) = ( 0.3170446 0.6829554 -0.3170446), wk = 0.0028736 k( 206) = ( 0.3105105 0.6894895 -0.3105105), wk = 0.0028736 k( 207) = ( 0.3039764 0.6960236 -0.3039764), wk = 0.0028736 k( 208) = ( 0.2974423 0.7025577 -0.2974423), wk = 0.0028736 k( 209) = ( 0.2909081 0.7090918 -0.2909082), wk = 0.0028736 k( 210) = ( 0.2909081 0.7090918 -0.2909082), wk = 0.0028736 k( 211) = ( 0.2737959 0.6967923 -0.2737959), wk = 0.0028736 k( 212) = ( 0.2566837 0.6844928 -0.2566837), wk = 0.0028736 k( 213) = ( 0.2395714 0.6721933 -0.2395714), wk = 0.0028736 k( 214) = ( 0.2224592 0.6598938 -0.2224592), wk = 0.0028736 k( 215) = ( 0.2053469 0.6475943 -0.2053469), wk = 0.0028736 k( 216) = ( 0.1882347 0.6352947 -0.1882347), wk = 0.0028736 k( 217) = ( 0.1711224 0.6229952 -0.1711224), wk = 0.0028736 k( 218) = ( 0.1540102 0.6106957 -0.1540102), wk = 0.0028736 k( 219) = ( 0.1368979 0.5983962 -0.1368979), wk = 0.0028736 k( 220) = ( 0.1197857 0.5860966 -0.1197857), wk = 0.0028736 k( 221) = ( 0.1026735 0.5737971 -0.1026735), wk = 0.0028736 k( 222) = ( 0.0855612 0.5614976 -0.0855612), wk = 0.0028736 k( 223) = ( 0.0684490 0.5491981 -0.0684490), wk = 0.0028736 k( 224) = ( 0.0513367 0.5368986 -0.0513367), wk = 0.0028736 k( 225) = ( 0.0342245 0.5245990 -0.0342245), wk = 0.0028736 k( 226) = ( 0.0171122 0.5122995 -0.0171122), wk = 0.0028736 k( 227) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 229) = ( 0.0065790 0.4934211 0.0065789), wk = 0.0028736 k( 230) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0028736 k( 231) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0028736 k( 232) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0028736 k( 233) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0028736 k( 234) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0028736 k( 235) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0028736 k( 236) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0028736 k( 237) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0028736 k( 238) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0028736 k( 239) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0028736 k( 240) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0028736 k( 241) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0028736 k( 242) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0028736 k( 243) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0028736 k( 244) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0028736 k( 245) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0028736 k( 246) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0028736 k( 247) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028736 k( 248) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0028736 k( 249) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0028736 k( 250) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0028736 k( 251) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0028736 k( 252) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0028736 k( 253) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0028736 k( 254) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0028736 k( 255) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0028736 k( 256) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0028736 k( 257) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0028736 k( 258) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0028736 k( 259) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0028736 k( 260) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0028736 k( 261) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0028736 k( 262) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0028736 k( 263) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0028736 k( 264) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0028736 k( 265) = ( 0.2434210 0.2565789 0.2434211), wk = 0.0028736 k( 266) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028736 k( 267) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028736 k( 268) = ( 0.2638889 0.2638889 0.2315658), wk = 0.0028736 k( 269) = ( 0.2777778 0.2777778 0.2131315), wk = 0.0028736 k( 270) = ( 0.2916667 0.2916667 0.1946973), wk = 0.0028736 k( 271) = ( 0.3055556 0.3055556 0.1762630), wk = 0.0028736 k( 272) = ( 0.3194444 0.3194444 0.1578288), wk = 0.0028736 k( 273) = ( 0.3333333 0.3333333 0.1393946), wk = 0.0028736 k( 274) = ( 0.3472222 0.3472222 0.1209603), wk = 0.0028736 k( 275) = ( 0.3611111 0.3611111 0.1025261), wk = 0.0028736 k( 276) = ( 0.3750000 0.3750000 0.0840919), wk = 0.0028736 k( 277) = ( 0.3888889 0.3888889 0.0656576), wk = 0.0028736 k( 278) = ( 0.4027778 0.4027778 0.0472234), wk = 0.0028736 k( 279) = ( 0.4166667 0.4166667 0.0287891), wk = 0.0028736 k( 280) = ( 0.4305556 0.4305556 0.0103549), wk = 0.0028736 k( 281) = ( 0.4444444 0.4444444 -0.0080793), wk = 0.0028736 k( 282) = ( 0.4583333 0.4583333 -0.0265136), wk = 0.0028736 k( 283) = ( 0.4722222 0.4722222 -0.0449478), wk = 0.0028736 k( 284) = ( 0.4861111 0.4861111 -0.0633821), wk = 0.0028736 k( 285) = ( 0.5000000 0.5000000 -0.0818163), wk = 0.0028736 k( 286) = ( 0.5000000 0.5000000 -0.0818163), wk = 0.0028736 k( 287) = ( 0.5000000 0.5000000 -0.0911093), wk = 0.0028736 k( 288) = ( 0.5000000 0.5000000 -0.1004022), wk = 0.0028736 k( 289) = ( 0.5000000 0.5000000 -0.1096952), wk = 0.0028736 k( 290) = ( 0.5000000 0.5000000 -0.1189882), wk = 0.0028736 k( 291) = ( 0.5000000 0.5000000 -0.1282811), wk = 0.0028736 k( 292) = ( 0.5000000 0.5000000 -0.1375741), wk = 0.0028736 k( 293) = ( 0.5000000 0.5000000 -0.1468671), wk = 0.0028736 k( 294) = ( 0.5000000 0.5000000 -0.1561601), wk = 0.0028736 k( 295) = ( 0.5000000 0.5000000 -0.1654530), wk = 0.0028736 k( 296) = ( 0.5000000 0.5000000 -0.1747460), wk = 0.0028736 k( 297) = ( 0.5000000 0.5000000 -0.1840390), wk = 0.0028736 k( 298) = ( 0.5000000 0.5000000 -0.1933319), wk = 0.0028736 k( 299) = ( 0.5000000 0.5000000 -0.2026249), wk = 0.0028736 k( 300) = ( 0.5000000 0.5000000 -0.2119179), wk = 0.0028736 k( 301) = ( 0.5000000 0.5000000 -0.2212109), wk = 0.0028736 k( 302) = ( 0.5000000 0.5000000 -0.2305038), wk = 0.0028736 k( 303) = ( 0.5000000 0.5000000 -0.2397968), wk = 0.0028736 k( 304) = ( 0.5000000 0.5000000 -0.2490898), wk = 0.0028736 k( 305) = ( 0.5000000 0.5000000 -0.2583827), wk = 0.0028736 k( 306) = ( 0.5000000 0.5000000 -0.2676757), wk = 0.0028736 k( 307) = ( 0.5000000 0.5000000 -0.2769687), wk = 0.0028736 k( 308) = ( 0.5000000 0.5000000 -0.2862617), wk = 0.0028736 k( 309) = ( 0.5000000 0.5000000 -0.2955546), wk = 0.0028736 k( 310) = ( 0.5000000 0.5000000 -0.3048476), wk = 0.0028736 k( 311) = ( 0.5000000 0.5000000 -0.3141406), wk = 0.0028736 k( 312) = ( 0.5000000 0.5000000 -0.3234336), wk = 0.0028736 k( 313) = ( 0.5000000 0.5000000 -0.3327265), wk = 0.0028736 k( 314) = ( 0.5000000 0.5000000 -0.3420195), wk = 0.0028736 k( 315) = ( 0.5000000 0.5000000 -0.3513125), wk = 0.0028736 k( 316) = ( 0.5000000 0.5000000 -0.3606054), wk = 0.0028736 k( 317) = ( 0.5000000 0.5000000 -0.3698984), wk = 0.0028736 k( 318) = ( 0.5000000 0.5000000 -0.3791914), wk = 0.0028736 k( 319) = ( 0.5000000 0.5000000 -0.3884843), wk = 0.0028736 k( 320) = ( 0.5000000 0.5000000 -0.3977773), wk = 0.0028736 k( 321) = ( 0.5000000 0.5000000 -0.4070703), wk = 0.0028736 k( 322) = ( 0.5000000 0.5000000 -0.4163633), wk = 0.0028736 k( 323) = ( 0.5000000 0.5000000 -0.4256562), wk = 0.0028736 k( 324) = ( 0.5000000 0.5000000 -0.4349492), wk = 0.0028736 k( 325) = ( 0.5000000 0.5000000 -0.4442422), wk = 0.0028736 k( 326) = ( 0.5000000 0.5000000 -0.4535351), wk = 0.0028736 k( 327) = ( 0.5000000 0.5000000 -0.4628281), wk = 0.0028736 k( 328) = ( 0.5000000 0.5000000 -0.4721211), wk = 0.0028736 k( 329) = ( 0.5000000 0.5000000 -0.4814141), wk = 0.0028736 k( 330) = ( 0.5000000 0.5000000 -0.4907070), wk = 0.0028736 k( 331) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028736 k( 332) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 333) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0028736 k( 334) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0028736 k( 335) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0028736 k( 336) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0028736 k( 337) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0028736 k( 338) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0028736 k( 339) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0028736 k( 340) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0028736 k( 341) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0028736 k( 342) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0028736 k( 343) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0028736 k( 344) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0028736 k( 345) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0028736 k( 346) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0028736 k( 347) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0028736 k( 348) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028736 Dense grid: 45299 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 24909 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 182, 48) NL pseudopotentials 0.18 Mb ( 91, 130) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1259) G-vector shells 0.00 Mb ( 594) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 182, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaxCuGex2.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 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 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 9.1 secs Computing kpt #: 9 total cpu time spent up to now is 9.6 secs Computing kpt #: 10 total cpu time spent up to now is 10.2 secs Computing kpt #: 11 total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.7 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 14.8 secs Computing kpt #: 18 total cpu time spent up to now is 15.3 secs Computing kpt #: 19 total cpu time spent up to now is 15.8 secs Computing kpt #: 20 total cpu time spent up to now is 16.3 secs Computing kpt #: 21 total cpu time spent up to now is 16.8 secs Computing kpt #: 22 total cpu time spent up to now is 17.3 secs Computing kpt #: 23 total cpu time spent up to now is 17.8 secs Computing kpt #: 24 total cpu time spent up to now is 18.4 secs Computing kpt #: 25 total cpu time spent up to now is 19.0 secs Computing kpt #: 26 total cpu time spent up to now is 19.7 secs Computing kpt #: 27 total cpu time spent up to now is 20.4 secs Computing kpt #: 28 total cpu time spent up to now is 21.0 secs Computing kpt #: 29 total cpu time spent up to now is 21.6 secs Computing kpt #: 30 total cpu time spent up to now is 22.2 secs Computing kpt #: 31 total cpu time spent up to now is 22.7 secs Computing kpt #: 32 total cpu time spent up to now is 23.3 secs Computing kpt #: 33 total cpu time spent up to now is 23.8 secs Computing kpt #: 34 total cpu time spent up to now is 24.3 secs Computing kpt #: 35 total cpu time spent up to now is 24.8 secs Computing kpt #: 36 total cpu time spent up to now is 25.4 secs Computing kpt #: 37 total cpu time spent up to now is 25.9 secs Computing kpt #: 38 total cpu time spent up to now is 26.6 secs Computing kpt #: 39 total cpu time spent up to now is 27.1 secs Computing kpt #: 40 total cpu time spent up to now is 27.7 secs Computing kpt #: 41 total cpu time spent up to now is 28.3 secs Computing kpt #: 42 total cpu time spent up to now is 28.8 secs Computing kpt #: 43 total cpu time spent up to now is 29.4 secs Computing kpt #: 44 total cpu time spent up to now is 29.9 secs Computing kpt #: 45 total cpu time spent up to now is 30.5 secs Computing kpt #: 46 total cpu time spent up to now is 31.1 secs Computing kpt #: 47 total cpu time spent up to now is 31.7 secs Computing kpt #: 48 total cpu time spent up to now is 32.3 secs Computing kpt #: 49 total cpu time spent up to now is 33.0 secs Computing kpt #: 50 total cpu time spent up to now is 33.6 secs Computing kpt #: 51 total cpu time spent up to now is 34.2 secs Computing kpt #: 52 total cpu time spent up to now is 34.9 secs Computing kpt #: 53 total cpu time spent up to now is 35.5 secs Computing kpt #: 54 total cpu time spent up to now is 35.9 secs Computing kpt #: 55 total cpu time spent up to now is 36.4 secs Computing kpt #: 56 total cpu time spent up to now is 36.9 secs Computing kpt #: 57 total cpu time spent up to now is 37.4 secs Computing kpt #: 58 total cpu time spent up to now is 37.9 secs Computing kpt #: 59 total cpu time spent up to now is 38.5 secs Computing kpt #: 60 total cpu time spent up to now is 39.1 secs Computing kpt #: 61 total cpu time spent up to now is 39.7 secs Computing kpt #: 62 total cpu time spent up to now is 40.3 secs Computing kpt #: 63 total cpu time spent up to now is 40.9 secs Computing kpt #: 64 total cpu time spent up to now is 41.6 secs Computing kpt #: 65 total cpu time spent up to now is 42.2 secs Computing kpt #: 66 total cpu time spent up to now is 42.8 secs Computing kpt #: 67 total cpu time spent up to now is 43.4 secs Computing kpt #: 68 total cpu time spent up to now is 44.0 secs Computing kpt #: 69 total cpu time spent up to now is 44.6 secs Computing kpt #: 70 total cpu time spent up to now is 45.2 secs Computing kpt #: 71 total cpu time spent up to now is 45.8 secs Computing kpt #: 72 total cpu time spent up to now is 46.5 secs Computing kpt #: 73 total cpu time spent up to now is 47.1 secs Computing kpt #: 74 total cpu time spent up to now is 47.7 secs Computing kpt #: 75 total cpu time spent up to now is 48.3 secs Computing kpt #: 76 total cpu time spent up to now is 48.9 secs Computing kpt #: 77 total cpu time spent up to now is 49.5 secs Computing kpt #: 78 total cpu time spent up to now is 50.1 secs Computing kpt #: 79 total cpu time spent up to now is 50.7 secs Computing kpt #: 80 total cpu time spent up to now is 51.3 secs Computing kpt #: 81 total cpu time spent up to now is 51.9 secs Computing kpt #: 82 total cpu time spent up to now is 52.5 secs Computing kpt #: 83 total cpu time spent up to now is 53.1 secs Computing kpt #: 84 total cpu time spent up to now is 53.7 secs Computing kpt #: 85 total cpu time spent up to now is 54.3 secs Computing kpt #: 86 total cpu time spent up to now is 54.9 secs Computing kpt #: 87 total cpu time spent up to now is 55.5 secs Computing kpt #: 88 total cpu time spent up to now is 56.1 secs Computing kpt #: 89 total cpu time spent up to now is 56.7 secs Computing kpt #: 90 total cpu time spent up to now is 57.3 secs Computing kpt #: 91 total cpu time spent up to now is 58.0 secs Computing kpt #: 92 total cpu time spent up to now is 58.7 secs Computing kpt #: 93 total cpu time spent up to now is 59.5 secs Computing kpt #: 94 total cpu time spent up to now is 60.5 secs Computing kpt #: 95 total cpu time spent up to now is 61.1 secs Computing kpt #: 96 total cpu time spent up to now is 61.7 secs Computing kpt #: 97 total cpu time spent up to now is 62.4 secs Computing kpt #: 98 total cpu time spent up to now is 63.0 secs Computing kpt #: 99 total cpu time spent up to now is 63.6 secs Computing kpt #: 100 total cpu time spent up to now is 64.2 secs Computing kpt #: 101 total cpu time spent up to now is 64.9 secs Computing kpt #: 102 total cpu time spent up to now is 65.5 secs Computing kpt #: 103 total cpu time spent up to now is 66.1 secs Computing kpt #: 104 total cpu time spent up to now is 66.7 secs Computing kpt #: 105 total cpu time spent up to now is 67.4 secs Computing kpt #: 106 total cpu time spent up to now is 68.0 secs Computing kpt #: 107 total cpu time spent up to now is 68.6 secs Computing kpt #: 108 total cpu time spent up to now is 69.2 secs Computing kpt #: 109 total cpu time spent up to now is 69.8 secs Computing kpt #: 110 total cpu time spent up to now is 70.4 secs Computing kpt #: 111 total cpu time spent up to now is 71.0 secs Computing kpt #: 112 total cpu time spent up to now is 71.5 secs Computing kpt #: 113 total cpu time spent up to now is 72.1 secs Computing kpt #: 114 total cpu time spent up to now is 72.6 secs Computing kpt #: 115 total cpu time spent up to now is 73.1 secs Computing kpt #: 116 total cpu time spent up to now is 73.6 secs Computing kpt #: 117 total cpu time spent up to now is 74.1 secs Computing kpt #: 118 total cpu time spent up to now is 74.6 secs Computing kpt #: 119 total cpu time spent up to now is 75.1 secs Computing kpt #: 120 total cpu time spent up to now is 75.6 secs Computing kpt #: 121 total cpu time spent up to now is 76.2 secs Computing kpt #: 122 total cpu time spent up to now is 76.7 secs Computing kpt #: 123 total cpu time spent up to now is 77.3 secs Computing kpt #: 124 total cpu time spent up to now is 77.9 secs Computing kpt #: 125 total cpu time spent up to now is 78.7 secs Computing kpt #: 126 total cpu time spent up to now is 79.4 secs Computing kpt #: 127 total cpu time spent up to now is 80.2 secs Computing kpt #: 128 total cpu time spent up to now is 81.2 secs Computing kpt #: 129 total cpu time spent up to now is 81.7 secs Computing kpt #: 130 total cpu time spent up to now is 82.2 secs Computing kpt #: 131 total cpu time spent up to now is 82.7 secs Computing kpt #: 132 total cpu time spent up to now is 83.2 secs Computing kpt #: 133 total cpu time spent up to now is 83.7 secs Computing kpt #: 134 total cpu time spent up to now is 84.2 secs Computing kpt #: 135 total cpu time spent up to now is 84.7 secs Computing kpt #: 136 total cpu time spent up to now is 85.2 secs Computing kpt #: 137 total cpu time spent up to now is 85.8 secs Computing kpt #: 138 total cpu time spent up to now is 86.2 secs Computing kpt #: 139 total cpu time spent up to now is 86.7 secs Computing kpt #: 140 total cpu time spent up to now is 87.3 secs Computing kpt #: 141 total cpu time spent up to now is 87.8 secs Computing kpt #: 142 total cpu time spent up to now is 88.3 secs Computing kpt #: 143 total cpu time spent up to now is 88.8 secs Computing kpt #: 144 total cpu time spent up to now is 89.3 secs Computing kpt #: 145 total cpu time spent up to now is 89.8 secs Computing kpt #: 146 total cpu time spent up to now is 90.3 secs Computing kpt #: 147 total cpu time spent up to now is 90.8 secs Computing kpt #: 148 total cpu time spent up to now is 91.3 secs Computing kpt #: 149 total cpu time spent up to now is 91.8 secs Computing kpt #: 150 total cpu time spent up to now is 92.2 secs Computing kpt #: 151 total cpu time spent up to now is 92.7 secs Computing kpt #: 152 total cpu time spent up to now is 93.2 secs Computing kpt #: 153 total cpu time spent up to now is 93.7 secs Computing kpt #: 154 total cpu time spent up to now is 94.2 secs Computing kpt #: 155 total cpu time spent up to now is 94.6 secs Computing kpt #: 156 total cpu time spent up to now is 95.1 secs Computing kpt #: 157 total cpu time spent up to now is 95.6 secs Computing kpt #: 158 total cpu time spent up to now is 96.1 secs Computing kpt #: 159 total cpu time spent up to now is 96.8 secs Computing kpt #: 160 total cpu time spent up to now is 97.2 secs Computing kpt #: 161 total cpu time spent up to now is 97.7 secs Computing kpt #: 162 total cpu time spent up to now is 98.5 secs Computing kpt #: 163 total cpu time spent up to now is 99.5 secs Computing kpt #: 164 total cpu time spent up to now is 100.5 secs Computing kpt #: 165 total cpu time spent up to now is 101.1 secs Computing kpt #: 166 total cpu time spent up to now is 101.5 secs Computing kpt #: 167 total cpu time spent up to now is 102.0 secs Computing kpt #: 168 total cpu time spent up to now is 102.5 secs Computing kpt #: 169 total cpu time spent up to now is 103.0 secs Computing kpt #: 170 total cpu time spent up to now is 103.5 secs Computing kpt #: 171 total cpu time spent up to now is 103.9 secs Computing kpt #: 172 total cpu time spent up to now is 104.4 secs Computing kpt #: 173 total cpu time spent up to now is 104.9 secs Computing kpt #: 174 total cpu time spent up to now is 105.4 secs Computing kpt #: 175 total cpu time spent up to now is 105.9 secs Computing kpt #: 176 total cpu time spent up to now is 106.4 secs Computing kpt #: 177 total cpu time spent up to now is 106.9 secs Computing kpt #: 178 total cpu time spent up to now is 107.4 secs Computing kpt #: 179 total cpu time spent up to now is 107.9 secs Computing kpt #: 180 total cpu time spent up to now is 108.3 secs Computing kpt #: 181 total cpu time spent up to now is 108.8 secs Computing kpt #: 182 total cpu time spent up to now is 109.3 secs Computing kpt #: 183 total cpu time spent up to now is 109.8 secs Computing kpt #: 184 total cpu time spent up to now is 110.4 secs Computing kpt #: 185 total cpu time spent up to now is 111.0 secs Computing kpt #: 186 total cpu time spent up to now is 111.6 secs Computing kpt #: 187 total cpu time spent up to now is 112.2 secs Computing kpt #: 188 total cpu time spent up to now is 112.8 secs Computing kpt #: 189 total cpu time spent up to now is 113.4 secs Computing kpt #: 190 total cpu time spent up to now is 114.1 secs Computing kpt #: 191 total cpu time spent up to now is 114.8 secs Computing kpt #: 192 total cpu time spent up to now is 115.6 secs Computing kpt #: 193 total cpu time spent up to now is 116.3 secs Computing kpt #: 194 total cpu time spent up to now is 116.9 secs Computing kpt #: 195 total cpu time spent up to now is 117.6 secs Computing kpt #: 196 total cpu time spent up to now is 118.3 secs Computing kpt #: 197 total cpu time spent up to now is 119.0 secs Computing kpt #: 198 total cpu time spent up to now is 119.8 secs Computing kpt #: 199 total cpu time spent up to now is 120.6 secs Computing kpt #: 200 total cpu time spent up to now is 121.4 secs Computing kpt #: 201 total cpu time spent up to now is 122.2 secs Computing kpt #: 202 total cpu time spent up to now is 122.9 secs Computing kpt #: 203 total cpu time spent up to now is 123.6 secs Computing kpt #: 204 total cpu time spent up to now is 124.2 secs Computing kpt #: 205 total cpu time spent up to now is 124.8 secs Computing kpt #: 206 total cpu time spent up to now is 125.4 secs Computing kpt #: 207 total cpu time spent up to now is 126.1 secs Computing kpt #: 208 total cpu time spent up to now is 126.7 secs Computing kpt #: 209 total cpu time spent up to now is 127.3 secs Computing kpt #: 210 total cpu time spent up to now is 127.9 secs Computing kpt #: 211 total cpu time spent up to now is 128.6 secs Computing kpt #: 212 total cpu time spent up to now is 129.2 secs Computing kpt #: 213 total cpu time spent up to now is 129.8 secs Computing kpt #: 214 total cpu time spent up to now is 130.4 secs Computing kpt #: 215 total cpu time spent up to now is 131.0 secs Computing kpt #: 216 total cpu time spent up to now is 131.6 secs Computing kpt #: 217 total cpu time spent up to now is 132.3 secs Computing kpt #: 218 total cpu time spent up to now is 132.9 secs Computing kpt #: 219 total cpu time spent up to now is 133.5 secs Computing kpt #: 220 total cpu time spent up to now is 134.1 secs Computing kpt #: 221 total cpu time spent up to now is 134.8 secs Computing kpt #: 222 total cpu time spent up to now is 135.5 secs Computing kpt #: 223 total cpu time spent up to now is 136.2 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.7 secs Computing kpt #: 225 total cpu time spent up to now is 138.7 secs Computing kpt #: 226 total cpu time spent up to now is 139.4 secs Computing kpt #: 227 total cpu time spent up to now is 139.9 secs Computing kpt #: 228 total cpu time spent up to now is 140.5 secs Computing kpt #: 229 total cpu time spent up to now is 141.3 secs Computing kpt #: 230 total cpu time spent up to now is 142.1 secs Computing kpt #: 231 total cpu time spent up to now is 143.2 secs Computing kpt #: 232 total cpu time spent up to now is 144.1 secs Computing kpt #: 233 total cpu time spent up to now is 144.9 secs Computing kpt #: 234 total cpu time spent up to now is 145.6 secs Computing kpt #: 235 total cpu time spent up to now is 146.5 secs Computing kpt #: 236 total cpu time spent up to now is 147.2 secs Computing kpt #: 237 total cpu time spent up to now is 147.8 secs Computing kpt #: 238 total cpu time spent up to now is 148.3 secs Computing kpt #: 239 total cpu time spent up to now is 148.8 secs Computing kpt #: 240 total cpu time spent up to now is 149.4 secs Computing kpt #: 241 total cpu time spent up to now is 149.9 secs Computing kpt #: 242 total cpu time spent up to now is 150.5 secs Computing kpt #: 243 total cpu time spent up to now is 151.3 secs Computing kpt #: 244 total cpu time spent up to now is 152.1 secs Computing kpt #: 245 total cpu time spent up to now is 153.2 secs Computing kpt #: 246 total cpu time spent up to now is 154.0 secs Computing kpt #: 247 total cpu time spent up to now is 154.8 secs Computing kpt #: 248 total cpu time spent up to now is 155.6 secs Computing kpt #: 249 total cpu time spent up to now is 156.4 secs Computing kpt #: 250 total cpu time spent up to now is 157.2 secs Computing kpt #: 251 total cpu time spent up to now is 158.0 secs Computing kpt #: 252 total cpu time spent up to now is 158.8 secs Computing kpt #: 253 total cpu time spent up to now is 159.6 secs Computing kpt #: 254 total cpu time spent up to now is 160.3 secs Computing kpt #: 255 total cpu time spent up to now is 161.0 secs Computing kpt #: 256 total cpu time spent up to now is 161.8 secs Computing kpt #: 257 total cpu time spent up to now is 162.6 secs Computing kpt #: 258 total cpu time spent up to now is 163.4 secs Computing kpt #: 259 total cpu time spent up to now is 164.2 secs Computing kpt #: 260 total cpu time spent up to now is 164.9 secs Computing kpt #: 261 total cpu time spent up to now is 165.6 secs Computing kpt #: 262 total cpu time spent up to now is 166.3 secs Computing kpt #: 263 total cpu time spent up to now is 166.9 secs Computing kpt #: 264 total cpu time spent up to now is 167.4 secs Computing kpt #: 265 total cpu time spent up to now is 168.0 secs Computing kpt #: 266 total cpu time spent up to now is 168.6 secs Computing kpt #: 267 total cpu time spent up to now is 169.1 secs Computing kpt #: 268 total cpu time spent up to now is 169.7 secs Computing kpt #: 269 total cpu time spent up to now is 170.2 secs Computing kpt #: 270 total cpu time spent up to now is 170.8 secs Computing kpt #: 271 total cpu time spent up to now is 171.3 secs Computing kpt #: 272 total cpu time spent up to now is 172.0 secs Computing kpt #: 273 total cpu time spent up to now is 172.7 secs Computing kpt #: 274 total cpu time spent up to now is 173.3 secs Computing kpt #: 275 total cpu time spent up to now is 174.0 secs Computing kpt #: 276 total cpu time spent up to now is 174.6 secs Computing kpt #: 277 total cpu time spent up to now is 175.3 secs Computing kpt #: 278 total cpu time spent up to now is 175.9 secs Computing kpt #: 279 total cpu time spent up to now is 176.6 secs Computing kpt #: 280 total cpu time spent up to now is 177.3 secs Computing kpt #: 281 total cpu time spent up to now is 177.9 secs Computing kpt #: 282 total cpu time spent up to now is 178.9 secs Computing kpt #: 283 total cpu time spent up to now is 179.5 secs Computing kpt #: 284 total cpu time spent up to now is 180.2 secs Computing kpt #: 285 total cpu time spent up to now is 180.8 secs Computing kpt #: 286 total cpu time spent up to now is 181.4 secs Computing kpt #: 287 total cpu time spent up to now is 182.0 secs Computing kpt #: 288 total cpu time spent up to now is 182.6 secs Computing kpt #: 289 total cpu time spent up to now is 183.2 secs Computing kpt #: 290 total cpu time spent up to now is 183.9 secs Computing kpt #: 291 total cpu time spent up to now is 184.5 secs Computing kpt #: 292 total cpu time spent up to now is 185.0 secs Computing kpt #: 293 total cpu time spent up to now is 185.6 secs Computing kpt #: 294 total cpu time spent up to now is 186.1 secs Computing kpt #: 295 total cpu time spent up to now is 186.7 secs Computing kpt #: 296 total cpu time spent up to now is 187.3 secs Computing kpt #: 297 total cpu time spent up to now is 187.8 secs Computing kpt #: 298 total cpu time spent up to now is 188.3 secs Computing kpt #: 299 total cpu time spent up to now is 188.8 secs Computing kpt #: 300 total cpu time spent up to now is 189.3 secs Computing kpt #: 301 total cpu time spent up to now is 189.8 secs Computing kpt #: 302 total cpu time spent up to now is 190.4 secs Computing kpt #: 303 total cpu time spent up to now is 190.9 secs Computing kpt #: 304 total cpu time spent up to now is 191.4 secs Computing kpt #: 305 total cpu time spent up to now is 191.9 secs Computing kpt #: 306 total cpu time spent up to now is 192.4 secs Computing kpt #: 307 total cpu time spent up to now is 192.9 secs Computing kpt #: 308 total cpu time spent up to now is 193.4 secs Computing kpt #: 309 total cpu time spent up to now is 193.9 secs Computing kpt #: 310 total cpu time spent up to now is 194.4 secs Computing kpt #: 311 total cpu time spent up to now is 194.9 secs Computing kpt #: 312 total cpu time spent up to now is 195.5 secs Computing kpt #: 313 total cpu time spent up to now is 196.1 secs Computing kpt #: 314 total cpu time spent up to now is 196.7 secs Computing kpt #: 315 total cpu time spent up to now is 197.4 secs Computing kpt #: 316 total cpu time spent up to now is 198.1 secs Computing kpt #: 317 total cpu time spent up to now is 198.8 secs Computing kpt #: 318 total cpu time spent up to now is 199.5 secs Computing kpt #: 319 total cpu time spent up to now is 200.2 secs Computing kpt #: 320 total cpu time spent up to now is 200.8 secs Computing kpt #: 321 total cpu time spent up to now is 201.4 secs Computing kpt #: 322 total cpu time spent up to now is 202.1 secs Computing kpt #: 323 total cpu time spent up to now is 202.7 secs Computing kpt #: 324 total cpu time spent up to now is 203.3 secs Computing kpt #: 325 total cpu time spent up to now is 203.8 secs Computing kpt #: 326 total cpu time spent up to now is 204.4 secs Computing kpt #: 327 total cpu time spent up to now is 205.0 secs Computing kpt #: 328 total cpu time spent up to now is 205.4 secs Computing kpt #: 329 total cpu time spent up to now is 205.9 secs Computing kpt #: 330 total cpu time spent up to now is 206.4 secs Computing kpt #: 331 total cpu time spent up to now is 206.9 secs Computing kpt #: 332 total cpu time spent up to now is 207.4 secs Computing kpt #: 333 total cpu time spent up to now is 207.9 secs Computing kpt #: 334 total cpu time spent up to now is 208.4 secs Computing kpt #: 335 total cpu time spent up to now is 208.9 secs Computing kpt #: 336 total cpu time spent up to now is 209.4 secs Computing kpt #: 337 total cpu time spent up to now is 209.9 secs Computing kpt #: 338 total cpu time spent up to now is 210.5 secs Computing kpt #: 339 total cpu time spent up to now is 211.2 secs Computing kpt #: 340 total cpu time spent up to now is 211.8 secs Computing kpt #: 341 total cpu time spent up to now is 212.4 secs Computing kpt #: 342 total cpu time spent up to now is 212.9 secs Computing kpt #: 343 total cpu time spent up to now is 213.5 secs Computing kpt #: 344 total cpu time spent up to now is 214.3 secs Computing kpt #: 345 total cpu time spent up to now is 214.9 secs Computing kpt #: 346 total cpu time spent up to now is 215.6 secs Computing kpt #: 347 total cpu time spent up to now is 216.4 secs Computing kpt #: 348 total cpu time spent up to now is 216.9 secs ethr = 2.50E-08, avg # of iterations = 25.3 total cpu time spent up to now is 216.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3081 PWs) bands (ev): -31.5429 -31.5429 -12.8241 -12.8241 -12.4536 -12.4536 -12.4422 -12.4422 -1.9504 -1.9504 1.8008 1.8008 3.7429 3.7429 5.2366 5.2366 5.2972 5.2972 5.4597 5.4597 5.8253 5.8253 6.0238 6.0238 6.1632 6.1632 6.2713 6.2713 6.5026 6.5026 6.5736 6.5736 6.8283 6.8283 8.0608 8.0608 8.0930 8.0930 10.0962 10.0962 10.1289 10.1289 10.2293 10.2293 11.9200 11.9200 12.4937 12.4937 k = 0.0000 0.0000 0.0186 ( 3081 PWs) bands (ev): -31.5429 -31.5429 -12.8242 -12.8242 -12.4536 -12.4536 -12.4422 -12.4422 -1.9492 -1.9492 1.8006 1.8006 3.7439 3.7439 5.2361 5.2361 5.2968 5.2968 5.4603 5.4603 5.8242 5.8242 6.0248 6.0248 6.1638 6.1638 6.2710 6.2710 6.5022 6.5022 6.5735 6.5735 6.8264 6.8264 8.0583 8.0583 8.0906 8.0906 10.0194 10.0194 10.1574 10.1574 10.2707 10.2707 11.9284 11.9284 12.4940 12.4940 k = 0.0000 0.0000 0.0373 ( 3081 PWs) bands (ev): -31.5429 -31.5429 -12.8242 -12.8242 -12.4537 -12.4537 -12.4424 -12.4424 -1.9455 -1.9455 1.8001 1.8001 3.7468 3.7468 5.2346 5.2346 5.2955 5.2955 5.4620 5.4620 5.8210 5.8210 6.0276 6.0276 6.1658 6.1658 6.2703 6.2703 6.5011 6.5011 6.5729 6.5729 6.8208 6.8208 8.0505 8.0505 8.0838 8.0838 9.9209 9.9209 10.1415 10.1415 10.3648 10.3648 11.9533 11.9533 12.4950 12.4950 k = 0.0000 0.0000 0.0559 ( 3079 PWs) bands (ev): -31.5428 -31.5428 -12.8244 -12.8244 -12.4537 -12.4537 -12.4426 -12.4426 -1.9395 -1.9395 1.7993 1.7993 3.7517 3.7517 5.2318 5.2318 5.2938 5.2938 5.4648 5.4648 5.8160 5.8160 6.0317 6.0317 6.1692 6.1692 6.2691 6.2691 6.4993 6.4993 6.5720 6.5720 6.8114 6.8114 8.0368 8.0368 8.0739 8.0739 9.8215 9.8215 10.1026 10.1026 10.4709 10.4709 11.9943 11.9943 12.4967 12.4967 k = 0.0000 0.0000 0.0746 ( 3076 PWs) bands (ev): -31.5428 -31.5428 -12.8245 -12.8245 -12.4538 -12.4538 -12.4429 -12.4429 -1.9310 -1.9310 1.7981 1.7981 3.7585 3.7585 5.2273 5.2273 5.2923 5.2923 5.4684 5.4684 5.8096 5.8096 6.0363 6.0363 6.1742 6.1742 6.2675 6.2675 6.4969 6.4969 6.5706 6.5706 6.7982 6.7982 8.0167 8.0167 8.0619 8.0619 9.7230 9.7230 10.0492 10.0492 10.5809 10.5809 12.0507 12.0507 12.4993 12.4993 k = 0.0000 0.0000 0.0932 ( 3076 PWs) bands (ev): -31.5428 -31.5428 -12.8247 -12.8247 -12.4538 -12.4538 -12.4434 -12.4434 -1.9201 -1.9201 1.7967 1.7967 3.7672 3.7672 5.2207 5.2207 5.2914 5.2914 5.4729 5.4729 5.8022 5.8022 6.0406 6.0406 6.1811 6.1811 6.2655 6.2655 6.4936 6.4936 6.5687 6.5687 6.7813 6.7813 7.9910 7.9910 8.0481 8.0481 9.6259 9.6259 9.9847 9.9847 10.6935 10.6935 12.1216 12.1216 12.5029 12.5029 k = 0.0000 0.0000 0.1119 ( 3076 PWs) bands (ev): -31.5427 -31.5427 -12.8250 -12.8250 -12.4540 -12.4540 -12.4439 -12.4439 -1.9069 -1.9069 1.7949 1.7949 3.7776 3.7776 5.2117 5.2117 5.2916 5.2916 5.4781 5.4781 5.7942 5.7942 6.0438 6.0438 6.1897 6.1897 6.2634 6.2634 6.4898 6.4898 6.5663 6.5663 6.7608 6.7608 7.9610 7.9610 8.0325 8.0325 9.5305 9.5305 9.9119 9.9119 10.8079 10.8079 12.2061 12.2061 12.5076 12.5076 k = 0.0000 0.0000 0.1305 ( 3078 PWs) bands (ev): -31.5427 -31.5427 -12.8253 -12.8253 -12.4541 -12.4541 -12.4445 -12.4445 -1.8914 -1.8914 1.7929 1.7929 3.7898 3.7898 5.2005 5.2005 5.2930 5.2930 5.4838 5.4838 5.7860 5.7860 6.0452 6.0452 6.2000 6.2000 6.2615 6.2615 6.4851 6.4851 6.5632 6.5632 6.7369 6.7369 7.9279 7.9279 8.0150 8.0150 9.4369 9.4369 9.8332 9.8332 10.9239 10.9239 12.3030 12.3030 12.5136 12.5136 k = 0.0000 0.0000 0.1492 ( 3082 PWs) bands (ev): -31.5426 -31.5426 -12.8257 -12.8257 -12.4543 -12.4543 -12.4452 -12.4452 -1.8736 -1.8736 1.7906 1.7906 3.8035 3.8035 5.1871 5.1871 5.2956 5.2956 5.4900 5.4900 5.7777 5.7777 6.0444 6.0444 6.2112 6.2112 6.2603 6.2603 6.4798 6.4798 6.5593 6.5593 6.7101 6.7101 7.8930 7.8930 7.9954 7.9954 9.3451 9.3451 9.7505 9.7505 11.0413 11.0413 12.4111 12.4111 12.5210 12.5210 k = 0.0000 0.0000 0.1678 ( 3094 PWs) bands (ev): -31.5425 -31.5425 -12.8262 -12.8262 -12.4545 -12.4545 -12.4460 -12.4460 -1.8535 -1.8535 1.7880 1.7880 3.8187 3.8187 5.1719 5.1719 5.2990 5.2990 5.4967 5.4967 5.7695 5.7695 6.0409 6.0409 6.2214 6.2214 6.2618 6.2618 6.4737 6.4737 6.5542 6.5542 6.6809 6.6809 7.8573 7.8573 7.9740 7.9740 9.2551 9.2551 9.6657 9.6657 11.1599 11.1599 12.5290 12.5290 12.5303 12.5303 k = 0.0000 0.0000 0.1865 ( 3098 PWs) bands (ev): -31.5425 -31.5425 -12.8266 -12.8266 -12.4547 -12.4547 -12.4468 -12.4468 -1.8312 -1.8312 1.7853 1.7853 3.8353 3.8353 5.1551 5.1551 5.3036 5.3036 5.5037 5.5037 5.7616 5.7616 6.0343 6.0343 6.2275 6.2275 6.2686 6.2686 6.4669 6.4669 6.5475 6.5475 6.6508 6.6508 7.8218 7.8218 7.9507 7.9507 9.1670 9.1670 9.5801 9.5801 11.2796 11.2796 12.5406 12.5406 12.6564 12.6564 k = 0.0000 0.0000 0.2051 ( 3102 PWs) bands (ev): -31.5424 -31.5424 -12.8271 -12.8271 -12.4549 -12.4549 -12.4477 -12.4477 -1.8067 -1.8067 1.7824 1.7824 3.8530 3.8530 5.1372 5.1372 5.3091 5.3091 5.5111 5.5111 5.7541 5.7541 6.0240 6.0240 6.2286 6.2286 6.2812 6.2812 6.4590 6.4590 6.5383 6.5383 6.6216 6.6216 7.7870 7.7870 7.9258 7.9258 9.0807 9.0807 9.4948 9.4948 11.4002 11.4002 12.5532 12.5532 12.7911 12.7911 k = 0.0000 0.0000 0.2238 ( 3102 PWs) bands (ev): -31.5423 -31.5423 -12.8277 -12.8277 -12.4551 -12.4551 -12.4487 -12.4487 -1.7802 -1.7802 1.7793 1.7793 3.8716 3.8716 5.1182 5.1182 5.3153 5.3153 5.5187 5.5187 5.7472 5.7472 6.0096 6.0096 6.2268 6.2268 6.2970 6.2970 6.4497 6.4497 6.5254 6.5254 6.5962 6.5962 7.7536 7.7536 7.8995 7.8995 8.9963 8.9963 9.4108 9.4108 11.5216 11.5216 12.5677 12.5677 12.9317 12.9317 k = 0.0000 0.0000 0.2424 ( 3102 PWs) bands (ev): -31.5422 -31.5422 -12.8282 -12.8282 -12.4554 -12.4554 -12.4497 -12.4497 -1.7516 -1.7516 1.7761 1.7761 3.8910 3.8910 5.0987 5.0987 5.3223 5.3223 5.5265 5.5265 5.7409 5.7409 5.9905 5.9905 6.2237 6.2237 6.3137 6.3137 6.4381 6.4381 6.5089 6.5089 6.5766 6.5766 7.7220 7.7220 7.8719 7.8719 8.9137 8.9137 9.3287 9.3287 11.6434 11.6434 12.5843 12.5843 12.9570 12.9570 k = 0.0000 0.0000 0.2611 ( 3106 PWs) bands (ev): -31.5421 -31.5421 -12.8289 -12.8289 -12.4556 -12.4556 -12.4508 -12.4508 -1.7211 -1.7211 1.7727 1.7727 3.9107 3.9107 5.0790 5.0790 5.3299 5.3299 5.5346 5.5346 5.7350 5.7350 5.9660 5.9660 6.2201 6.2201 6.3293 6.3293 6.4232 6.4232 6.4925 6.4925 6.5626 6.5626 7.6922 7.6922 7.8433 7.8433 8.8329 8.8329 9.2492 9.2492 11.7655 11.7655 12.6030 12.6030 12.9667 12.9667 k = 0.0000 0.0000 0.2797 ( 3106 PWs) bands (ev): -31.5420 -31.5420 -12.8295 -12.8295 -12.4560 -12.4560 -12.4519 -12.4519 -1.6887 -1.6887 1.7693 1.7693 3.9307 3.9307 5.0593 5.0593 5.3381 5.3381 5.5429 5.5429 5.7298 5.7298 5.9357 5.9357 6.2162 6.2162 6.3410 6.3410 6.4059 6.4059 6.4807 6.4807 6.5519 6.5519 7.6645 7.6645 7.8140 7.8140 8.7539 8.7539 9.1727 9.1727 11.8877 11.8877 12.6238 12.6238 12.9758 12.9758 k = 0.0000 0.0000 0.2983 ( 3116 PWs) bands (ev): -31.5419 -31.5419 -12.8302 -12.8302 -12.4564 -12.4564 -12.4530 -12.4530 -1.6544 -1.6544 1.7659 1.7659 3.9503 3.9503 5.0402 5.0402 5.3470 5.3470 5.5511 5.5511 5.7252 5.7252 5.8991 5.8991 6.2121 6.2121 6.3440 6.3440 6.3910 6.3910 6.4753 6.4753 6.5432 6.5432 7.6388 7.6388 7.7841 7.7841 8.6767 8.6767 9.0994 9.0994 12.0096 12.0096 12.6467 12.6467 12.9844 12.9844 k = 0.0000 0.0000 0.3170 ( 3120 PWs) bands (ev): -31.5417 -31.5417 -12.8309 -12.8309 -12.4569 -12.4569 -12.4540 -12.4540 -1.6185 -1.6185 1.7624 1.7624 3.9693 3.9693 5.0220 5.0220 5.3563 5.3563 5.5592 5.5592 5.7214 5.7214 5.8567 5.8567 6.2079 6.2079 6.3340 6.3340 6.3840 6.3840 6.4760 6.4760 6.5362 6.5362 7.6150 7.6150 7.7542 7.7542 8.6012 8.6012 9.0296 9.0296 12.1310 12.1310 12.6716 12.6716 12.9922 12.9922 k = 0.0000 0.0000 0.3356 ( 3120 PWs) bands (ev): -31.5416 -31.5416 -12.8316 -12.8316 -12.4576 -12.4576 -12.4548 -12.4548 -1.5810 -1.5810 1.7589 1.7589 3.9873 3.9873 5.0053 5.0053 5.3662 5.3662 5.5670 5.5670 5.7181 5.7181 5.8091 5.8091 6.2035 6.2035 6.3172 6.3172 6.3804 6.3804 6.4801 6.4801 6.5320 6.5320 7.5931 7.5931 7.7244 7.7244 8.5274 8.5274 8.9635 8.9635 12.2516 12.2516 12.6985 12.6985 12.9993 12.9993 k = 0.0000 0.0000 0.3543 ( 3116 PWs) bands (ev): -31.5415 -31.5415 -12.8323 -12.8323 -12.4585 -12.4585 -12.4554 -12.4554 -1.5419 -1.5419 1.7555 1.7555 4.0038 4.0038 4.9907 4.9907 5.3765 5.3765 5.5738 5.5738 5.7150 5.7150 5.7580 5.7580 6.1986 6.1986 6.2998 6.2998 6.3758 6.3758 6.4827 6.4827 6.5333 6.5333 7.5729 7.5729 7.6951 7.6951 8.4552 8.4552 8.9009 8.9009 12.3709 12.3709 12.7271 12.7271 13.0055 13.0055 k = 0.0000 0.0000 0.3729 ( 3116 PWs) bands (ev): -31.5413 -31.5413 -12.8331 -12.8331 -12.4596 -12.4596 -12.4559 -12.4559 -1.5015 -1.5015 1.7522 1.7522 4.0182 4.0182 4.9787 4.9787 5.3872 5.3872 5.5776 5.5776 5.6999 5.6999 5.7186 5.7186 6.1930 6.1930 6.2839 6.2839 6.3696 6.3696 6.4802 6.4802 6.5415 6.5415 7.5542 7.5542 7.6668 7.6668 8.3847 8.3847 8.8420 8.8420 12.4886 12.4886 12.7571 12.7571 13.0106 13.0106 k = 0.0000 0.0000 0.3916 ( 3120 PWs) bands (ev): -31.5412 -31.5412 -12.8339 -12.8339 -12.4609 -12.4609 -12.4564 -12.4564 -1.4597 -1.4597 1.7489 1.7489 4.0302 4.0302 4.9699 4.9699 5.3980 5.3980 5.5715 5.5715 5.6567 5.6567 5.7149 5.7149 6.1866 6.1866 6.2702 6.2702 6.3624 6.3624 6.4735 6.4735 6.5543 6.5543 7.5371 7.5371 7.6398 7.6398 8.3158 8.3158 8.7864 8.7864 12.6041 12.6041 12.7880 12.7880 13.0145 13.0145 k = 0.0000 0.0000 0.4102 ( 3128 PWs) bands (ev): -31.5411 -31.5411 -12.8347 -12.8347 -12.4622 -12.4622 -12.4567 -12.4567 -1.4168 -1.4168 1.7457 1.7457 4.0392 4.0392 4.9647 4.9647 5.4088 5.4088 5.5393 5.5393 5.6351 5.6351 5.7145 5.7145 6.1793 6.1793 6.2585 6.2585 6.3544 6.3544 6.4645 6.4645 6.5685 6.5685 7.5212 7.5212 7.6146 7.6146 8.2484 8.2484 8.7341 8.7341 12.7170 12.7170 12.8194 12.8194 13.0170 13.0170 k = 0.0000 0.0000 0.4289 ( 3128 PWs) bands (ev): -31.5409 -31.5409 -12.8355 -12.8355 -12.4636 -12.4636 -12.4570 -12.4570 -1.3729 -1.3729 1.7426 1.7426 4.0452 4.0452 4.9635 4.9635 5.4178 5.4178 5.4871 5.4871 5.6336 5.6336 5.7153 5.7153 6.1709 6.1709 6.2488 6.2488 6.3460 6.3460 6.4544 6.4544 6.5825 6.5825 7.5068 7.5068 7.5916 7.5916 8.1826 8.1826 8.6847 8.6847 12.8247 12.8247 12.8524 12.8524 13.0182 13.0182 k = 0.0000 0.0000 0.4475 ( 3128 PWs) bands (ev): -31.5408 -31.5408 -12.8363 -12.8363 -12.4649 -12.4649 -12.4573 -12.4573 -1.3281 -1.3281 1.7397 1.7397 4.0477 4.0477 4.9668 4.9668 5.4054 5.4054 5.4489 5.4489 5.6385 5.6385 5.7170 5.7170 6.1618 6.1618 6.2407 6.2407 6.3374 6.3374 6.4436 6.4436 6.5949 6.5949 7.4938 7.4938 7.5712 7.5712 8.1182 8.1182 8.6379 8.6379 12.8762 12.8762 12.9360 12.9360 13.0180 13.0180 k = 0.0000 0.0000 0.4662 ( 3136 PWs) bands (ev): -31.5406 -31.5406 -12.8371 -12.8371 -12.4664 -12.4664 -12.4576 -12.4576 -1.2825 -1.2825 1.7369 1.7369 4.0468 4.0468 4.9745 4.9745 5.3486 5.3486 5.4529 5.4529 5.6452 5.6452 5.7197 5.7197 6.1520 6.1520 6.2336 6.2336 6.3286 6.3286 6.4326 6.4326 6.6051 6.6051 7.4822 7.4822 7.5538 7.5538 8.0554 8.0554 8.5933 8.5933 12.9018 12.9018 13.0115 13.0115 13.0421 13.0421 k = 0.0000 0.0000 0.4848 ( 3134 PWs) bands (ev): -31.5405 -31.5405 -12.8379 -12.8379 -12.4678 -12.4678 -12.4578 -12.4578 -1.2364 -1.2364 1.7343 1.7343 4.0428 4.0428 4.9866 4.9866 5.2840 5.2840 5.4641 5.4641 5.6526 5.6526 5.7236 5.7236 6.1417 6.1417 6.2271 6.2271 6.3198 6.3198 6.4217 6.4217 6.6124 6.6124 7.4721 7.4721 7.5397 7.5397 7.9939 7.9939 8.5505 8.5505 12.9209 12.9209 13.0076 13.0076 13.1388 13.1388 k = 0.0000 0.0000 0.5035 ( 3138 PWs) bands (ev): -31.5403 -31.5403 -12.8387 -12.8387 -12.4692 -12.4692 -12.4581 -12.4581 -1.1898 -1.1898 1.7319 1.7319 4.0357 4.0357 5.0029 5.0029 5.2184 5.2184 5.4766 5.4766 5.6601 5.6601 5.7284 5.7284 6.1311 6.1311 6.2210 6.2210 6.3109 6.3109 6.4111 6.4111 6.6162 6.6162 7.4633 7.4633 7.5295 7.5295 7.9338 7.9338 8.5088 8.5088 12.9306 12.9306 12.9940 12.9940 13.1581 13.1581 k = 0.0000 0.0000 0.5221 ( 3134 PWs) bands (ev): -31.5402 -31.5402 -12.8395 -12.8395 -12.4705 -12.4705 -12.4583 -12.4583 -1.1429 -1.1429 1.7297 1.7297 4.0262 4.0262 5.0231 5.0231 5.1531 5.1531 5.4894 5.4894 5.6674 5.6674 5.7343 5.7343 6.1204 6.1204 6.2148 6.2148 6.3020 6.3020 6.4011 6.4011 6.6164 6.6164 7.4555 7.4555 7.5237 7.5237 7.8752 7.8752 8.4680 8.4680 12.9275 12.9275 12.9434 12.9434 13.0520 13.0520 k = 0.0000 0.0000 0.5408 ( 3128 PWs) bands (ev): -31.5400 -31.5400 -12.8403 -12.8403 -12.4719 -12.4719 -12.4585 -12.4585 -1.0959 -1.0959 1.7277 1.7277 4.0147 4.0147 5.0460 5.0460 5.0894 5.0894 5.5024 5.5024 5.6746 5.6746 5.7413 5.7413 6.1098 6.1098 6.2083 6.2083 6.2932 6.2932 6.3920 6.3920 6.6127 6.6127 7.4483 7.4483 7.5229 7.5229 7.8178 7.8178 8.4272 8.4272 12.8287 12.8287 12.9079 12.9079 13.0182 13.0182 k = 0.0000 0.0000 0.5594 ( 3116 PWs) bands (ev): -31.5399 -31.5399 -12.8410 -12.8410 -12.4732 -12.4732 -12.4586 -12.4586 -1.0490 -1.0490 1.7259 1.7259 4.0016 4.0016 5.0237 5.0237 5.0753 5.0753 5.5156 5.5156 5.6816 5.6816 5.7491 5.7491 6.0993 6.0993 6.2013 6.2013 6.2845 6.2845 6.3838 6.3838 6.6052 6.6052 7.4413 7.4413 7.5274 7.5274 7.7618 7.7618 8.3861 8.3861 12.7036 12.7036 12.8693 12.8693 13.0043 13.0043 k = 0.0000 0.0000 0.5781 ( 3114 PWs) bands (ev): -31.5397 -31.5397 -12.8417 -12.8417 -12.4745 -12.4745 -12.4588 -12.4588 -1.0023 -1.0023 1.7243 1.7243 3.9877 3.9877 4.9624 4.9624 5.1041 5.1041 5.5286 5.5286 5.6885 5.6885 5.7576 5.7576 6.0888 6.0888 6.1935 6.1935 6.2762 6.2762 6.3766 6.3766 6.5939 6.5939 7.4344 7.4344 7.5371 7.5371 7.7071 7.7071 8.3439 8.3439 12.5853 12.5853 12.8118 12.8118 12.9937 12.9937 k = 0.0000 0.0000 0.5967 ( 3116 PWs) bands (ev): -31.5396 -31.5396 -12.8425 -12.8425 -12.4758 -12.4758 -12.4590 -12.4590 -0.9561 -0.9561 1.7228 1.7228 3.9732 3.9732 4.9023 4.9023 5.1355 5.1355 5.5415 5.5415 5.6953 5.6953 5.7669 5.7669 6.0786 6.0786 6.1847 6.1847 6.2684 6.2684 6.3704 6.3704 6.5793 6.5793 7.4275 7.4275 7.5517 7.5517 7.6537 7.6537 8.3003 8.3003 12.4771 12.4771 12.7381 12.7381 12.9838 12.9838 k = 0.0000 0.0000 0.6153 ( 3116 PWs) bands (ev): -31.5394 -31.5394 -12.8432 -12.8432 -12.4770 -12.4770 -12.4592 -12.4592 -0.9105 -0.9105 1.7216 1.7216 3.9588 3.9588 4.8440 4.8440 5.1688 5.1688 5.5542 5.5542 5.7022 5.7022 5.7767 5.7767 6.0687 6.0687 6.1749 6.1749 6.2615 6.2615 6.3651 6.3651 6.5618 6.5618 7.4209 7.4209 7.5704 7.5704 7.6018 7.6018 8.2547 8.2547 12.3802 12.3802 12.6519 12.6519 12.9738 12.9738 k = 0.0000 0.0000 0.6340 ( 3112 PWs) bands (ev): -31.5393 -31.5393 -12.8439 -12.8439 -12.4782 -12.4782 -12.4593 -12.4593 -0.8656 -0.8656 1.7206 1.7206 3.9449 3.9449 4.7877 4.7877 5.2033 5.2033 5.5667 5.5667 5.7092 5.7092 5.7869 5.7869 6.0591 6.0591 6.1640 6.1640 6.2557 6.2557 6.3606 6.3606 6.5419 6.5419 7.4145 7.4145 7.5503 7.5503 7.5938 7.5938 8.2067 8.2067 12.2952 12.2952 12.5570 12.5570 12.9638 12.9638 k = 0.0000 0.0000 0.6526 ( 3112 PWs) bands (ev): -31.5392 -31.5392 -12.8446 -12.8446 -12.4794 -12.4794 -12.4595 -12.4595 -0.8218 -0.8218 1.7197 1.7197 3.9317 3.9317 4.7335 4.7335 5.2387 5.2387 5.5788 5.5788 5.7162 5.7162 5.7975 5.7975 6.0501 6.0501 6.1522 6.1522 6.2510 6.2510 6.3566 6.3566 6.5202 6.5202 7.4083 7.4083 7.5008 7.5008 7.6197 7.6197 8.1560 8.1560 12.2228 12.2228 12.4565 12.4565 12.9537 12.9537 k = 0.0000 0.0000 0.6713 ( 3104 PWs) bands (ev): -31.5390 -31.5390 -12.8452 -12.8452 -12.4805 -12.4805 -12.4596 -12.4596 -0.7791 -0.7791 1.7190 1.7190 3.9196 3.9196 4.6816 4.6816 5.2747 5.2747 5.5905 5.5905 5.7235 5.7235 5.8083 5.8083 6.0416 6.0416 6.1395 6.1395 6.2478 6.2478 6.3530 6.3530 6.4972 6.4972 7.4024 7.4024 7.4525 7.4525 7.6484 7.6484 8.1026 8.1026 12.1630 12.1630 12.3530 12.3530 12.9434 12.9435 k = 0.0000 0.0000 0.6899 ( 3108 PWs) bands (ev): -31.5389 -31.5389 -12.8459 -12.8459 -12.4816 -12.4816 -12.4598 -12.4598 -0.7377 -0.7377 1.7185 1.7185 3.9088 3.9088 4.6321 4.6321 5.3109 5.3109 5.6019 5.6019 5.7308 5.7308 5.8191 5.8191 6.0338 6.0338 6.1263 6.1263 6.2458 6.2458 6.3493 6.3493 6.4737 6.4737 7.3958 7.3958 7.4065 7.4065 7.6793 7.6793 8.0465 8.0465 12.1160 12.1160 12.2484 12.2484 12.9332 12.9332 k = 0.0000 0.0000 0.7086 ( 3104 PWs) bands (ev): -31.5388 -31.5388 -12.8465 -12.8465 -12.4826 -12.4826 -12.4599 -12.4599 -0.6978 -0.6978 1.7181 1.7181 3.8995 3.8995 4.5850 4.5850 5.3470 5.3470 5.6128 5.6128 5.7381 5.7381 5.8298 5.8298 6.0269 6.0269 6.1127 6.1127 6.2450 6.2450 6.3449 6.3449 6.4504 6.4504 7.3589 7.3589 7.3925 7.3925 7.7116 7.7116 7.9878 7.9878 12.0817 12.0817 12.1442 12.1442 12.9231 12.9231 k = 0.0000 0.0000 0.7272 ( 3100 PWs) bands (ev): -31.5386 -31.5386 -12.8470 -12.8470 -12.4835 -12.4835 -12.4600 -12.4600 -0.6596 -0.6596 1.7179 1.7179 3.8919 3.8919 4.5405 4.5405 5.3828 5.3828 5.6234 5.6234 5.7455 5.7455 5.8402 5.8402 6.0211 6.0211 6.0991 6.0991 6.2453 6.2453 6.3392 6.3392 6.4287 6.4287 7.3146 7.3146 7.3876 7.3876 7.7445 7.7445 7.9274 7.9274 12.0404 12.0404 12.0610 12.0610 12.9132 12.9132 k = 0.0000 0.0000 0.7459 ( 3100 PWs) bands (ev): -31.5385 -31.5385 -12.8476 -12.8476 -12.4845 -12.4845 -12.4601 -12.4601 -0.6232 -0.6232 1.7178 1.7178 3.8858 3.8858 4.4986 4.4986 5.4178 5.4178 5.6335 5.6335 5.7529 5.7529 5.8499 5.8499 6.0166 6.0166 6.0857 6.0857 6.2463 6.2463 6.3311 6.3311 6.4100 6.4100 7.2715 7.2715 7.3831 7.3831 7.7749 7.7749 7.8683 7.8683 11.9405 11.9405 12.0509 12.0509 12.9034 12.9034 k = 0.0000 0.0000 0.7645 ( 3110 PWs) bands (ev): -31.5384 -31.5384 -12.8481 -12.8481 -12.4854 -12.4854 -12.4602 -12.4602 -0.5888 -0.5888 1.7177 1.7177 3.8815 3.8815 4.4593 4.4593 5.4519 5.4519 5.6431 5.6431 5.7601 5.7601 5.8587 5.8587 6.0137 6.0137 6.0728 6.0728 6.2472 6.2472 6.3200 6.3200 6.3956 6.3956 7.2299 7.2299 7.3790 7.3790 7.7757 7.7757 7.8376 7.8376 11.8433 11.8433 12.0530 12.0530 12.8939 12.8939 k = 0.0000 0.0000 0.7832 ( 3094 PWs) bands (ev): -31.5383 -31.5383 -12.8486 -12.8486 -12.4862 -12.4862 -12.4602 -12.4602 -0.5564 -0.5564 1.7178 1.7178 3.8787 3.8787 4.4228 4.4228 5.4848 5.4848 5.6524 5.6524 5.7673 5.7673 5.8663 5.8663 6.0129 6.0129 6.0608 6.0608 6.2466 6.2466 6.3074 6.3074 6.3861 6.3861 7.1897 7.1897 7.3753 7.3753 7.7210 7.7210 7.8615 7.8615 11.7500 11.7500 12.0661 12.0661 12.8848 12.8848 k = 0.0000 0.0000 0.8018 ( 3090 PWs) bands (ev): -31.5382 -31.5382 -12.8490 -12.8490 -12.4869 -12.4869 -12.4603 -12.4603 -0.5263 -0.5263 1.7180 1.7180 3.8774 3.8774 4.3890 4.3890 5.5162 5.5162 5.6613 5.6613 5.7742 5.7742 5.8722 5.8722 6.0140 6.0140 6.0502 6.0502 6.2412 6.2412 6.2976 6.2976 6.3802 6.3802 7.1512 7.1512 7.3718 7.3718 7.6567 7.6567 7.8944 7.8944 11.6612 11.6612 12.0894 12.0894 12.8759 12.8759 k = 0.0000 0.0000 0.8205 ( 3102 PWs) bands (ev): -31.5382 -31.5382 -12.8495 -12.8495 -12.4876 -12.4876 -12.4604 -12.4604 -0.4984 -0.4984 1.7181 1.7181 3.8775 3.8775 4.3581 4.3581 5.5456 5.5456 5.6698 5.6698 5.7807 5.7807 5.8762 5.8762 6.0161 6.0161 6.0424 6.0424 6.2280 6.2280 6.2946 6.2946 6.3765 6.3765 7.1145 7.1145 7.3687 7.3687 7.5914 7.5914 7.9280 7.9280 11.5775 11.5775 12.1220 12.1220 12.8674 12.8674 k = 0.0000 0.0000 0.8391 ( 3098 PWs) bands (ev): -31.5381 -31.5381 -12.8498 -12.8498 -12.4882 -12.4882 -12.4604 -12.4604 -0.4730 -0.4730 1.7184 1.7184 3.8787 3.8787 4.3299 4.3299 5.5730 5.5730 5.6779 5.6779 5.7869 5.7869 5.8785 5.8785 6.0162 6.0162 6.0406 6.0406 6.2092 6.2092 6.2977 6.2977 6.3742 6.3742 7.0796 7.0796 7.3659 7.3659 7.5273 7.5273 7.9607 7.9607 11.4996 11.4996 12.1628 12.1628 12.8592 12.8592 k = 0.0000 0.0000 0.8578 ( 3094 PWs) bands (ev): -31.5380 -31.5380 -12.8501 -12.8501 -12.4888 -12.4888 -12.4605 -12.4605 -0.4501 -0.4501 1.7186 1.7186 3.8808 3.8808 4.3047 4.3047 5.5981 5.5981 5.6855 5.6855 5.7926 5.7926 5.8794 5.8794 6.0124 6.0124 6.0465 6.0465 6.1879 6.1879 6.3040 6.3040 6.3727 6.3727 7.0469 7.0469 7.3633 7.3633 7.4656 7.4656 7.9919 7.9919 11.4278 11.4278 12.2106 12.2106 12.8513 12.8513 k = 0.0000 0.0000 0.8764 ( 3094 PWs) bands (ev): -31.5379 -31.5379 -12.8504 -12.8504 -12.4893 -12.4893 -12.4605 -12.4605 -0.4298 -0.4298 1.7189 1.7189 3.8836 3.8836 4.2823 4.2823 5.6205 5.6205 5.6926 5.6926 5.7977 5.7977 5.8794 5.8794 6.0075 6.0075 6.0568 6.0568 6.1660 6.1660 6.3119 6.3119 6.3716 6.3716 7.0166 7.0166 7.3608 7.3608 7.4074 7.4074 8.0210 8.0210 11.3629 11.3629 12.2639 12.2639 12.8435 12.8435 k = 0.0000 0.0000 0.8950 ( 3090 PWs) bands (ev): -31.5379 -31.5379 -12.8507 -12.8507 -12.4897 -12.4897 -12.4606 -12.4606 -0.4120 -0.4120 1.7192 1.7192 3.8867 3.8867 4.2630 4.2630 5.6401 5.6401 5.6991 5.6991 5.8019 5.8019 5.8791 5.8791 6.0036 6.0036 6.0690 6.0690 6.1443 6.1443 6.3206 6.3206 6.3707 6.3707 6.9889 6.9889 7.3502 7.3502 7.3621 7.3621 8.0475 8.0475 11.3053 11.3053 12.3211 12.3211 12.8359 12.8359 k = 0.0000 0.0000 0.9137 ( 3090 PWs) bands (ev): -31.5378 -31.5378 -12.8509 -12.8509 -12.4901 -12.4901 -12.4606 -12.4606 -0.3969 -0.3969 1.7194 1.7194 3.8899 3.8899 4.2465 4.2465 5.6568 5.6568 5.7048 5.7048 5.8052 5.8052 5.8790 5.8790 6.0011 6.0011 6.0816 6.0816 6.1236 6.1236 6.3295 6.3295 6.3700 6.3700 6.9642 6.9642 7.3041 7.3041 7.3583 7.3583 8.0708 8.0708 11.2555 11.2555 12.3800 12.3800 12.8280 12.8280 k = 0.0000 0.0000 0.9323 ( 3086 PWs) bands (ev): -31.5378 -31.5378 -12.8511 -12.8511 -12.4904 -12.4904 -12.4606 -12.4606 -0.3846 -0.3846 1.7196 1.7196 3.8930 3.8930 4.2330 4.2330 5.6706 5.6706 5.7095 5.7095 5.8076 5.8076 5.8793 5.8793 6.0005 6.0005 6.0922 6.0922 6.1060 6.1060 6.3380 6.3380 6.3692 6.3692 6.9430 6.9430 7.2627 7.2627 7.3568 7.3568 8.0907 8.0907 11.2141 11.2141 12.4380 12.4380 12.8198 12.8198 k = 0.0000 0.0000 0.9510 ( 3082 PWs) bands (ev): -31.5378 -31.5378 -12.8512 -12.8512 -12.4906 -12.4906 -12.4606 -12.4606 -0.3749 -0.3749 1.7198 1.7198 3.8957 3.8957 4.2224 4.2224 5.6816 5.6816 5.7129 5.7129 5.8091 5.8091 5.8800 5.8800 6.0018 6.0018 6.0843 6.0843 6.1072 6.1072 6.3457 6.3457 6.3682 6.3682 6.9258 6.9258 7.2291 7.2291 7.3557 7.3557 8.1066 8.1066 11.1813 11.1813 12.4917 12.4917 12.8113 12.8113 k = 0.0000 0.0000 0.9696 ( 3082 PWs) bands (ev): -31.5377 -31.5377 -12.8513 -12.8513 -12.4908 -12.4908 -12.4606 -12.4606 -0.3680 -0.3680 1.7199 1.7199 3.8977 3.8977 4.2149 4.2149 5.6898 5.6898 5.7150 5.7150 5.8100 5.8100 5.8809 5.8809 6.0047 6.0047 6.0699 6.0699 6.1152 6.1152 6.3523 6.3523 6.3668 6.3668 6.9129 6.9129 7.2042 7.2042 7.3550 7.3550 8.1182 8.1182 11.1577 11.1577 12.5367 12.5367 12.8027 12.8027 k = 0.0000 0.0000 0.9883 ( 3084 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4606 -12.4606 -0.3638 -0.3638 1.7200 1.7200 3.8990 3.8990 4.2104 4.2104 5.6950 5.6950 5.7159 5.7159 5.8104 5.8104 5.8816 5.8816 6.0082 6.0082 6.0592 6.0592 6.1206 6.1206 6.3575 6.3575 6.3649 6.3649 6.9050 6.9050 7.1889 7.1889 7.3545 7.3545 8.1252 8.1252 11.1434 11.1434 12.5677 12.5677 12.7957 12.7957 k = 0.0000 0.0000 1.0069 ( 3088 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4606 -12.4606 -0.3625 -0.3625 1.7200 1.7200 3.8995 3.8995 4.2089 4.2089 5.6968 5.6968 5.7161 5.7161 5.8105 5.8105 5.8818 5.8818 6.0099 6.0099 6.0550 6.0550 6.1225 6.1225 6.3604 6.3604 6.3631 6.3631 6.9023 6.9023 7.1837 7.1837 7.3544 7.3544 8.1276 8.1276 11.1386 11.1386 12.5789 12.5789 12.7929 12.7929 k = 0.0000 0.0000 1.0069 ( 3088 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4606 -12.4606 -0.3625 -0.3625 1.7200 1.7200 3.8995 3.8995 4.2089 4.2089 5.6968 5.6968 5.7161 5.7161 5.8105 5.8105 5.8818 5.8818 6.0099 6.0099 6.0550 6.0550 6.1225 6.1225 6.3604 6.3604 6.3631 6.3631 6.9023 6.9023 7.1837 7.1837 7.3544 7.3544 8.1276 8.1276 11.1386 11.1386 12.5789 12.5789 12.7929 12.7929 k =-0.0091 0.0159 1.0069 ( 3088 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4606 -12.4606 -0.3624 -0.3624 1.7161 1.7161 3.9008 3.9008 4.2120 4.2120 5.6962 5.6962 5.7167 5.7167 5.8107 5.8107 5.8817 5.8817 6.0097 6.0097 6.0547 6.0547 6.1173 6.1173 6.3588 6.3588 6.3637 6.3637 6.9083 6.9083 7.1838 7.1838 7.3574 7.3574 8.1301 8.1301 11.1384 11.1384 12.5816 12.5816 12.7922 12.7922 k =-0.0182 0.0318 1.0069 ( 3088 PWs) bands (ev): -31.5377 -31.5377 -12.8513 -12.8513 -12.4908 -12.4908 -12.4607 -12.4607 -0.3624 -0.3624 1.7044 1.7044 3.9047 3.9047 4.2211 4.2211 5.6945 5.6945 5.7184 5.7184 5.8110 5.8110 5.8811 5.8811 6.0092 6.0092 6.0535 6.0535 6.1025 6.1025 6.3553 6.3553 6.3642 6.3642 6.9256 6.9256 7.1842 7.1842 7.3663 7.3663 8.1378 8.1378 11.1377 11.1377 12.5893 12.5893 12.7903 12.7903 k =-0.0273 0.0477 1.0069 ( 3088 PWs) bands (ev): -31.5378 -31.5378 -12.8512 -12.8512 -12.4906 -12.4906 -12.4607 -12.4607 -0.3623 -0.3623 1.6852 1.6852 3.9113 3.9113 4.2359 4.2359 5.6918 5.6918 5.7207 5.7207 5.8117 5.8117 5.8802 5.8802 6.0081 6.0081 6.0502 6.0502 6.0808 6.0808 6.3501 6.3501 6.3644 6.3644 6.9530 6.9530 7.1850 7.1850 7.3811 7.3811 8.1504 8.1504 11.1366 11.1366 12.6017 12.6017 12.7871 12.7871 k =-0.0364 0.0636 1.0069 ( 3086 PWs) bands (ev): -31.5378 -31.5378 -12.8511 -12.8511 -12.4904 -12.4904 -12.4607 -12.4607 -0.3622 -0.3622 1.6590 1.6590 3.9205 3.9205 4.2561 4.2561 5.6883 5.6883 5.7236 5.7236 5.8125 5.8125 5.8789 5.8789 6.0058 6.0058 6.0377 6.0377 6.0622 6.0622 6.3435 6.3435 6.3643 6.3643 6.9887 6.9887 7.1864 7.1864 7.4019 7.4019 8.1679 8.1679 11.1352 11.1352 12.6180 12.6180 12.7827 12.7827 k =-0.0455 0.0795 1.0069 ( 3088 PWs) bands (ev): -31.5378 -31.5378 -12.8509 -12.8509 -12.4901 -12.4901 -12.4607 -12.4607 -0.3622 -0.3622 1.6261 1.6261 3.9323 3.9323 4.2811 4.2811 5.6840 5.6840 5.7266 5.7266 5.8136 5.8136 5.8770 5.8770 5.9947 5.9947 6.0164 6.0164 6.0558 6.0558 6.3354 6.3354 6.3641 6.3641 7.0306 7.0306 7.1888 7.1888 7.4286 7.4286 8.1902 8.1902 11.1335 11.1335 12.6370 12.6370 12.7773 12.7773 k =-0.0545 0.0953 1.0069 ( 3094 PWs) bands (ev): -31.5379 -31.5379 -12.8508 -12.8508 -12.4897 -12.4897 -12.4607 -12.4607 -0.3622 -0.3622 1.5873 1.5873 3.9468 3.9468 4.3102 4.3102 5.6787 5.6787 5.7295 5.7295 5.8148 5.8148 5.8744 5.8744 5.9626 5.9626 6.0099 6.0099 6.0526 6.0526 6.3262 6.3262 6.3636 6.3636 7.0762 7.0762 7.1935 7.1935 7.4611 7.4611 8.2171 8.2171 11.1317 11.1317 12.6572 12.6572 12.7708 12.7708 k =-0.0636 0.1112 1.0069 ( 3090 PWs) bands (ev): -31.5379 -31.5379 -12.8505 -12.8505 -12.4893 -12.4893 -12.4607 -12.4607 -0.3623 -0.3623 1.5432 1.5432 3.9638 3.9638 4.3427 4.3427 5.6722 5.6722 5.7313 5.7313 5.8161 5.8161 5.8704 5.8704 5.9260 5.9260 6.0077 6.0077 6.0498 6.0498 6.3159 6.3159 6.3630 6.3630 7.1206 7.1206 7.2043 7.2043 7.4995 7.4995 8.2484 8.2484 11.1299 11.1299 12.6769 12.6769 12.7635 12.7635 k =-0.0727 0.1271 1.0069 ( 3090 PWs) bands (ev): -31.5380 -31.5380 -12.8502 -12.8502 -12.4888 -12.4888 -12.4607 -12.4607 -0.3625 -0.3625 1.4944 1.4944 3.9834 3.9834 4.3780 4.3780 5.6638 5.6638 5.7305 5.7305 5.8172 5.8172 5.8623 5.8623 5.8952 5.8952 6.0059 6.0059 6.0469 6.0469 6.3051 6.3051 6.3624 6.3624 7.1529 7.1529 7.2312 7.2312 7.5439 7.5439 8.2839 8.2839 11.1282 11.1282 12.6939 12.6939 12.7554 12.7554 k =-0.0818 0.1430 1.0069 ( 3092 PWs) bands (ev): -31.5381 -31.5381 -12.8499 -12.8499 -12.4883 -12.4883 -12.4607 -12.4607 -0.3629 -0.3629 1.4416 1.4416 4.0055 4.0055 4.4153 4.4153 5.6523 5.6523 5.7247 5.7247 5.8174 5.8174 5.8468 5.8468 5.8791 5.8791 6.0043 6.0043 6.0439 6.0439 6.2939 6.2939 6.3617 6.3617 7.1680 7.1680 7.2786 7.2786 7.5941 7.5941 8.3234 8.3234 11.1269 11.1269 12.7059 12.7059 12.7467 12.7467 k =-0.0818 0.1430 1.0069 ( 3092 PWs) bands (ev): -31.5381 -31.5381 -12.8499 -12.8499 -12.4883 -12.4883 -12.4607 -12.4607 -0.3629 -0.3629 1.4416 1.4416 4.0055 4.0055 4.4153 4.4153 5.6523 5.6523 5.7247 5.7247 5.8174 5.8174 5.8468 5.8468 5.8791 5.8791 6.0043 6.0043 6.0439 6.0439 6.2939 6.2939 6.3617 6.3617 7.1680 7.1680 7.2786 7.2786 7.5941 7.5941 8.3234 8.3234 11.1269 11.1269 12.7059 12.7059 12.7467 12.7467 k =-0.0884 0.1544 0.9938 ( 3100 PWs) bands (ev): -31.5381 -31.5381 -12.8497 -12.8497 -12.4879 -12.4879 -12.4608 -12.4608 -0.3640 -0.3640 1.4016 1.4016 4.0224 4.0224 4.4437 4.4437 5.6402 5.6402 5.7154 5.7154 5.8171 5.8171 5.8364 5.8364 5.8742 5.8742 6.0028 6.0028 6.0427 6.0427 6.2858 6.2858 6.3612 6.3612 7.1721 7.1721 7.3237 7.3237 7.6337 7.6337 8.3534 8.3534 11.1286 11.1286 12.7008 12.7008 12.7454 12.7454 k =-0.0949 0.1659 0.9806 ( 3104 PWs) bands (ev): -31.5382 -31.5382 -12.8495 -12.8495 -12.4874 -12.4874 -12.4608 -12.4608 -0.3663 -0.3663 1.3605 1.3605 4.0392 4.0392 4.4735 4.4735 5.6231 5.6231 5.7031 5.7031 5.8144 5.8144 5.8319 5.8319 5.8718 5.8718 6.0016 6.0016 6.0429 6.0429 6.2779 6.2779 6.3611 6.3611 7.1743 7.1743 7.3766 7.3766 7.6758 7.6758 8.3842 8.3842 11.1352 11.1352 12.6819 12.6819 12.7455 12.7455 k =-0.1014 0.1773 0.9675 ( 3104 PWs) bands (ev): -31.5383 -31.5383 -12.8492 -12.8492 -12.4869 -12.4869 -12.4607 -12.4607 -0.3698 -0.3698 1.3185 1.3185 4.0557 4.0557 4.5047 4.5047 5.6004 5.6004 5.6909 5.6909 5.8086 5.8086 5.8326 5.8326 5.8710 5.8710 6.0015 6.0015 6.0437 6.0437 6.2704 6.2704 6.3613 6.3613 7.1776 7.1776 7.4338 7.4338 7.7201 7.7201 8.4165 8.4165 11.1467 11.1467 12.6576 12.6576 12.7396 12.7396 k =-0.1080 0.1887 0.9543 ( 3104 PWs) bands (ev): -31.5383 -31.5383 -12.8488 -12.8488 -12.4863 -12.4863 -12.4606 -12.4606 -0.3744 -0.3744 1.2760 1.2760 4.0713 4.0713 4.5368 4.5368 5.5732 5.5732 5.6804 5.6804 5.8025 5.8025 5.8340 5.8340 5.8715 5.8715 6.0029 6.0029 6.0442 6.0442 6.2634 6.2634 6.3617 6.3617 7.1831 7.1831 7.4938 7.4938 7.7657 7.7657 8.4508 8.4508 11.1631 11.1631 12.6301 12.6301 12.7271 12.7271 k =-0.1145 0.2001 0.9411 ( 3103 PWs) bands (ev): -31.5384 -31.5384 -12.8485 -12.8485 -12.4858 -12.4858 -12.4605 -12.4605 -0.3800 -0.3800 1.2331 1.2331 4.0859 4.0859 4.5696 4.5696 5.5436 5.5436 5.6711 5.6711 5.7970 5.7970 5.8343 5.8343 5.8731 5.8731 6.0062 6.0062 6.0442 6.0442 6.2572 6.2572 6.3623 6.3623 7.1915 7.1915 7.5557 7.5557 7.8122 7.8122 8.4880 8.4880 11.1842 11.1842 12.6005 12.6005 12.7091 12.7091 k =-0.1210 0.2115 0.9280 ( 3105 PWs) bands (ev): -31.5385 -31.5385 -12.8481 -12.8481 -12.4852 -12.4852 -12.4603 -12.4603 -0.3865 -0.3865 1.1902 1.1902 4.0989 4.0989 4.6029 4.6029 5.5131 5.5131 5.6625 5.6625 5.7925 5.7925 5.8333 5.8333 5.8747 5.8747 6.0114 6.0114 6.0434 6.0434 6.2519 6.2519 6.3629 6.3629 7.2032 7.2032 7.6188 7.6188 7.8584 7.8584 8.5293 8.5293 11.2101 11.2101 12.5694 12.5694 12.6865 12.6865 k =-0.1276 0.2230 0.9148 ( 3099 PWs) bands (ev): -31.5386 -31.5386 -12.8477 -12.8477 -12.4846 -12.4846 -12.4601 -12.4601 -0.3938 -0.3938 1.1475 1.1475 4.1101 4.1101 4.6365 4.6365 5.4833 5.4833 5.6541 5.6541 5.7890 5.7890 5.8315 5.8315 5.8756 5.8756 6.0177 6.0177 6.0424 6.0424 6.2475 6.2475 6.3634 6.3634 7.2187 7.2187 7.6826 7.6826 7.9034 7.9034 8.5757 8.5757 11.2405 11.2405 12.5375 12.5375 12.6605 12.6605 k =-0.1341 0.2344 0.9017 ( 3100 PWs) bands (ev): -31.5387 -31.5387 -12.8473 -12.8473 -12.4841 -12.4841 -12.4598 -12.4598 -0.4018 -0.4018 1.1051 1.1051 4.1193 4.1193 4.6700 4.6700 5.4548 5.4548 5.6455 5.6455 5.7865 5.7865 5.8291 5.8291 5.8755 5.8755 6.0229 6.0229 6.0431 6.0431 6.2441 6.2441 6.3636 6.3636 7.2383 7.2383 7.7465 7.7465 7.9462 7.9462 8.6283 8.6283 11.2752 11.2752 12.5054 12.5054 12.6316 12.6316 k =-0.1406 0.2458 0.8885 ( 3096 PWs) bands (ev): -31.5388 -31.5388 -12.8469 -12.8469 -12.4836 -12.4836 -12.4594 -12.4594 -0.4104 -0.4104 1.0634 1.0634 4.1261 4.1261 4.7036 4.7036 5.4282 5.4282 5.6367 5.6367 5.7849 5.7849 5.8267 5.8267 5.8742 5.8742 6.0235 6.0235 6.0485 6.0485 6.2417 6.2417 6.3635 6.3635 7.2622 7.2622 7.8101 7.8101 7.9860 7.9860 8.6882 8.6882 11.3142 11.3142 12.4737 12.4737 12.6003 12.6003 k =-0.1472 0.2572 0.8753 ( 3092 PWs) bands (ev): -31.5389 -31.5389 -12.8465 -12.8465 -12.4831 -12.4831 -12.4590 -12.4590 -0.4195 -0.4195 1.0225 1.0225 4.1305 4.1305 4.7370 4.7370 5.4039 5.4039 5.6277 5.6277 5.7840 5.7840 5.8243 5.8243 5.8718 5.8718 6.0201 6.0201 6.0576 6.0576 6.2401 6.2401 6.3629 6.3629 7.2909 7.2909 7.8730 7.8730 8.0221 8.0221 8.7560 8.7560 11.3573 11.3573 12.4430 12.4430 12.5671 12.5671 k =-0.1537 0.2687 0.8622 ( 3095 PWs) bands (ev): -31.5390 -31.5390 -12.8461 -12.8461 -12.4827 -12.4827 -12.4584 -12.4584 -0.4289 -0.4289 0.9824 0.9824 4.1323 4.1323 4.7700 4.7700 5.3821 5.3821 5.6185 5.6185 5.7836 5.7836 5.8221 5.8221 5.8685 5.8685 6.0150 6.0150 6.0680 6.0680 6.2392 6.2392 6.3616 6.3616 7.3245 7.3245 7.9346 7.9346 8.0544 8.0544 8.8323 8.8323 11.4042 11.4042 12.4136 12.4136 12.5322 12.5322 k =-0.1602 0.2801 0.8490 ( 3103 PWs) bands (ev): -31.5391 -31.5391 -12.8457 -12.8457 -12.4824 -12.4824 -12.4578 -12.4578 -0.4387 -0.4387 0.9435 0.9435 4.1316 4.1316 4.8027 4.8027 5.3629 5.3629 5.6093 5.6093 5.7831 5.7831 5.8201 5.8201 5.8645 5.8645 6.0095 6.0095 6.0784 6.0784 6.2390 6.2390 6.3595 6.3595 7.3631 7.3631 7.9940 7.9940 8.0835 8.0835 8.9169 8.9169 11.4547 11.4547 12.3860 12.3860 12.4957 12.4957 k =-0.1668 0.2915 0.8359 ( 3107 PWs) bands (ev): -31.5392 -31.5392 -12.8453 -12.8453 -12.4822 -12.4822 -12.4572 -12.4572 -0.4486 -0.4486 0.9058 0.9058 4.1284 4.1284 4.8349 4.8349 5.3461 5.3461 5.6001 5.6001 5.7821 5.7821 5.8186 5.8186 5.8603 5.8603 6.0040 6.0040 6.0882 6.0882 6.2392 6.2392 6.3567 6.3567 7.4068 7.4068 8.0487 8.0487 8.1116 8.1116 9.0096 9.0096 11.5088 11.5088 12.3604 12.3604 12.4578 12.4578 k =-0.1733 0.3029 0.8227 ( 3109 PWs) bands (ev): -31.5393 -31.5393 -12.8450 -12.8450 -12.4820 -12.4820 -12.4564 -12.4564 -0.4587 -0.4587 0.8694 0.8694 4.1230 4.1230 4.8666 4.8666 5.3317 5.3317 5.5911 5.5911 5.7799 5.7799 5.8174 5.8174 5.8564 5.8564 5.9991 5.9991 6.0972 6.0972 6.2398 6.2398 6.3531 6.3531 7.4555 7.4555 8.0928 8.0928 8.1451 8.1451 9.1101 9.1101 11.5662 11.5662 12.3369 12.3369 12.4187 12.4187 k =-0.1798 0.3143 0.8095 ( 3107 PWs) bands (ev): -31.5394 -31.5394 -12.8446 -12.8446 -12.4818 -12.4818 -12.4556 -12.4556 -0.4687 -0.4687 0.8345 0.8345 4.1156 4.1156 4.8978 4.8978 5.3196 5.3196 5.5824 5.5824 5.7757 5.7757 5.8167 5.8167 5.8534 5.8534 5.9951 5.9951 6.1049 6.1049 6.2407 6.2407 6.3486 6.3486 7.5092 7.5092 8.1206 8.1206 8.1896 8.1896 9.2177 9.2177 11.6267 11.6267 12.3150 12.3150 12.3788 12.3788 k =-0.1864 0.3258 0.7964 ( 3111 PWs) bands (ev): -31.5395 -31.5395 -12.8442 -12.8442 -12.4817 -12.4817 -12.4548 -12.4548 -0.4786 -0.4786 0.8011 0.8011 4.1064 4.1064 4.9283 4.9283 5.3094 5.3094 5.5742 5.5742 5.7690 5.7690 5.8164 5.8164 5.8518 5.8518 5.9922 5.9922 6.1115 6.1115 6.2419 6.2419 6.3431 6.3431 7.5673 7.5673 8.1382 8.1382 8.2393 8.2393 9.3318 9.3318 11.6902 11.6902 12.2934 12.2934 12.3398 12.3398 k =-0.1929 0.3372 0.7832 ( 3113 PWs) bands (ev): -31.5396 -31.5396 -12.8439 -12.8439 -12.4816 -12.4816 -12.4539 -12.4539 -0.4883 -0.4883 0.7693 0.7693 4.0958 4.0958 4.9583 4.9583 5.3008 5.3008 5.5664 5.5664 5.7597 5.7597 5.8164 5.8164 5.8516 5.8516 5.9905 5.9905 6.1167 6.1167 6.2431 6.2431 6.3368 6.3368 7.6297 7.6297 8.1510 8.1510 8.2889 8.2889 9.4520 9.4520 11.7564 11.7564 12.2667 12.2667 12.3067 12.3067 k =-0.1994 0.3486 0.7701 ( 3118 PWs) bands (ev): -31.5397 -31.5397 -12.8436 -12.8436 -12.4816 -12.4816 -12.4530 -12.4530 -0.4978 -0.4978 0.7393 0.7393 4.0842 4.0842 4.9876 4.9876 5.2937 5.2937 5.5592 5.5592 5.7479 5.7479 5.8167 5.8167 5.8526 5.8526 5.9903 5.9903 6.1208 6.1208 6.2444 6.2444 6.3297 6.3297 7.6957 7.6957 8.1610 8.1610 8.3368 8.3368 9.5776 9.5776 11.8252 11.8252 12.2288 12.2288 12.2857 12.2857 k =-0.2060 0.3600 0.7569 ( 3118 PWs) bands (ev): -31.5398 -31.5398 -12.8432 -12.8432 -12.4817 -12.4817 -12.4520 -12.4520 -0.5069 -0.5069 0.7111 0.7111 4.0718 4.0718 5.0162 5.0162 5.2878 5.2878 5.5526 5.5526 5.7342 5.7342 5.8173 5.8173 5.8545 5.8545 5.9915 5.9915 6.1238 6.1238 6.2457 6.2457 6.3218 6.3218 7.7647 7.7647 8.1689 8.1689 8.3821 8.3821 9.7081 9.7081 11.8965 11.8965 12.1837 12.1837 12.2728 12.2728 k =-0.2125 0.3715 0.7438 ( 3118 PWs) bands (ev): -31.5399 -31.5399 -12.8429 -12.8429 -12.4817 -12.4817 -12.4511 -12.4511 -0.5157 -0.5157 0.6847 0.6847 4.0590 4.0590 5.0441 5.0441 5.2829 5.2829 5.5467 5.5467 5.7190 5.7190 5.8181 5.8181 5.8569 5.8569 5.9941 5.9941 6.1259 6.1259 6.2468 6.2468 6.3133 6.3133 7.8359 7.8359 8.1753 8.1753 8.4245 8.4245 9.8429 9.8429 11.9699 11.9699 12.1351 12.1351 12.2640 12.2640 k =-0.2190 0.3829 0.7306 ( 3122 PWs) bands (ev): -31.5400 -31.5400 -12.8427 -12.8427 -12.4818 -12.4818 -12.4502 -12.4502 -0.5240 -0.5240 0.6602 0.6602 4.0461 4.0461 5.0712 5.0712 5.2788 5.2788 5.5415 5.5415 5.7025 5.7025 5.8191 5.8191 5.8592 5.8592 5.9982 5.9982 6.1270 6.1270 6.2477 6.2477 6.3042 6.3042 7.9086 7.9086 8.1805 8.1805 8.4637 8.4637 9.9816 9.9816 12.0439 12.0439 12.0857 12.0857 12.2582 12.2582 k =-0.2256 0.3943 0.7174 ( 3120 PWs) bands (ev): -31.5400 -31.5400 -12.8424 -12.8424 -12.4819 -12.4819 -12.4493 -12.4493 -0.5317 -0.5317 0.6377 0.6377 4.0334 4.0334 5.0973 5.0973 5.2754 5.2754 5.5370 5.5370 5.6853 5.6853 5.8203 5.8203 5.8616 5.8616 6.0036 6.0036 6.1275 6.1275 6.2483 6.2483 6.2949 6.2949 7.9817 7.9817 8.1850 8.1850 8.4995 8.4995 10.1234 10.1234 12.0296 12.0296 12.1250 12.1250 12.2545 12.2545 k =-0.2321 0.4057 0.7043 ( 3114 PWs) bands (ev): -31.5401 -31.5401 -12.8422 -12.8422 -12.4819 -12.4819 -12.4485 -12.4485 -0.5389 -0.5389 0.6173 0.6173 4.0212 4.0212 5.1225 5.1225 5.2726 5.2726 5.5332 5.5332 5.6676 5.6676 5.8216 5.8216 5.8636 5.8636 6.0103 6.0103 6.1275 6.1275 6.2483 6.2483 6.2856 6.2856 8.0539 8.0539 8.1892 8.1892 8.5317 8.5317 10.2679 10.2679 11.9765 11.9765 12.2039 12.2039 12.2526 12.2526 k =-0.2386 0.4171 0.6911 ( 3112 PWs) bands (ev): -31.5402 -31.5402 -12.8420 -12.8420 -12.4820 -12.4820 -12.4477 -12.4477 -0.5454 -0.5454 0.5988 0.5988 4.0097 4.0097 5.1466 5.1466 5.2704 5.2704 5.5300 5.5300 5.6497 5.6497 5.8230 5.8230 5.8653 5.8653 6.0179 6.0179 6.1270 6.1270 6.2471 6.2471 6.2770 6.2770 8.1226 8.1226 8.1945 8.1945 8.5600 8.5600 10.4141 10.4141 11.9230 11.9230 12.2519 12.2519 12.2850 12.2850 k =-0.2452 0.4286 0.6780 ( 3118 PWs) bands (ev): -31.5402 -31.5402 -12.8418 -12.8418 -12.4821 -12.4821 -12.4470 -12.4470 -0.5513 -0.5513 0.5825 0.5825 3.9990 3.9990 5.1691 5.1691 5.2687 5.2687 5.5274 5.5274 5.6318 5.6318 5.8243 5.8243 5.8667 5.8667 6.0262 6.0262 6.1263 6.1263 6.2440 6.2440 6.2699 6.2699 8.1745 8.1745 8.2133 8.2133 8.5845 8.5845 10.5613 10.5613 11.8704 11.8704 12.2524 12.2524 12.3671 12.3671 k =-0.2517 0.4400 0.6648 ( 3120 PWs) bands (ev): -31.5403 -31.5403 -12.8416 -12.8416 -12.4822 -12.4822 -12.4464 -12.4464 -0.5565 -0.5565 0.5683 0.5683 3.9895 3.9895 5.1898 5.1898 5.2677 5.2677 5.5253 5.5253 5.6144 5.6144 5.8256 5.8256 5.8678 5.8678 6.0351 6.0351 6.1254 6.1254 6.2382 6.2382 6.2655 6.2655 8.1876 8.1876 8.2665 8.2665 8.6049 8.6049 10.7079 10.7079 11.8201 11.8201 12.2534 12.2534 12.4500 12.4500 k =-0.2582 0.4514 0.6516 ( 3120 PWs) bands (ev): -31.5403 -31.5403 -12.8415 -12.8415 -12.4823 -12.4823 -12.4458 -12.4458 -0.5609 -0.5609 0.5562 0.5562 3.9812 3.9812 5.2080 5.2080 5.2678 5.2678 5.5237 5.5237 5.5979 5.5979 5.8269 5.8269 5.8687 5.8687 6.0441 6.0441 6.1244 6.1244 6.2305 6.2305 6.2632 6.2632 8.1910 8.1910 8.3235 8.3235 8.6211 8.6211 10.8523 10.8523 11.7738 11.7738 12.2549 12.2549 12.5330 12.5330 k =-0.2648 0.4628 0.6385 ( 3118 PWs) bands (ev): -31.5404 -31.5404 -12.8414 -12.8414 -12.4824 -12.4824 -12.4454 -12.4454 -0.5645 -0.5645 0.5463 0.5463 3.9742 3.9742 5.2228 5.2228 5.2694 5.2694 5.5227 5.5227 5.5828 5.5828 5.8280 5.8280 5.8693 5.8693 6.0528 6.0528 6.1236 6.1236 6.2220 6.2220 6.2622 6.2622 8.1927 8.1927 8.3748 8.3748 8.6333 8.6333 10.9914 10.9914 11.7329 11.7329 12.2564 12.2564 12.6087 12.6087 k =-0.2713 0.4743 0.6253 ( 3116 PWs) bands (ev): -31.5404 -31.5404 -12.8413 -12.8413 -12.4824 -12.4824 -12.4450 -12.4450 -0.5674 -0.5674 0.5386 0.5386 3.9687 3.9687 5.2332 5.2332 5.2728 5.2728 5.5221 5.5221 5.5697 5.5697 5.8289 5.8289 5.8698 5.8698 6.0608 6.0608 6.1228 6.1228 6.2141 6.2141 6.2617 6.2617 8.1938 8.1938 8.4180 8.4180 8.6415 8.6415 11.1203 11.1203 11.6992 11.6992 12.2577 12.2577 12.4886 12.4886 k =-0.2778 0.4857 0.6122 ( 3120 PWs) bands (ev): -31.5404 -31.5404 -12.8412 -12.8412 -12.4825 -12.4825 -12.4448 -12.4448 -0.5695 -0.5695 0.5330 0.5330 3.9647 3.9647 5.2392 5.2392 5.2775 5.2775 5.5219 5.5219 5.5593 5.5593 5.8295 5.8295 5.8700 5.8700 6.0672 6.0672 6.1222 6.1222 6.2074 6.2074 6.2615 6.2615 8.1944 8.1944 8.4509 8.4509 8.6463 8.6463 11.2306 11.2306 11.6742 11.6742 12.2587 12.2587 12.3809 12.3809 k =-0.2844 0.4971 0.5990 ( 3120 PWs) bands (ev): -31.5404 -31.5404 -12.8412 -12.8412 -12.4825 -12.4825 -12.4446 -12.4446 -0.5707 -0.5707 0.5297 0.5297 3.9623 3.9623 5.2420 5.2420 5.2814 5.2814 5.5220 5.5220 5.5525 5.5525 5.8299 5.8299 5.8702 5.8702 6.0716 6.0716 6.1218 6.1218 6.2029 6.2029 6.2614 6.2614 8.1948 8.1948 8.4718 8.4718 8.6486 8.6486 11.3087 11.3087 11.6590 11.6590 12.2588 12.2589 12.3046 12.3046 k =-0.2909 0.5085 0.5858 ( 3124 PWs) bands (ev): -31.5404 -31.5404 -12.8412 -12.8412 -12.4825 -12.4825 -12.4446 -12.4446 -0.5711 -0.5711 0.5286 0.5286 3.9615 3.9615 5.2428 5.2428 5.2829 5.2829 5.5220 5.5220 5.5501 5.5501 5.8300 5.8300 5.8703 5.8703 6.0732 6.0732 6.1217 6.1217 6.2011 6.2011 6.2613 6.2613 8.1949 8.1949 8.4789 8.4789 8.6492 8.6492 11.3376 11.3376 11.6540 11.6540 12.2577 12.2577 12.2774 12.2774 k =-0.2909 0.5085 0.5858 ( 3124 PWs) bands (ev): -31.5404 -31.5404 -12.8412 -12.8412 -12.4825 -12.4825 -12.4446 -12.4446 -0.5711 -0.5711 0.5286 0.5286 3.9615 3.9615 5.2428 5.2428 5.2829 5.2829 5.5220 5.5220 5.5501 5.5501 5.8300 5.8300 5.8703 5.8703 6.0732 6.0732 6.1217 6.1217 6.2011 6.2011 6.2613 6.2613 8.1949 8.1949 8.4789 8.4789 8.6492 8.6492 11.3376 11.3376 11.6540 11.6540 12.2577 12.2577 12.2774 12.2774 k =-0.2844 0.4972 0.5728 ( 3118 PWs) bands (ev): -31.5404 -31.5404 -12.8415 -12.8415 -12.4831 -12.4831 -12.4444 -12.4444 -0.5859 -0.5859 0.5864 0.5864 3.9336 3.9336 5.2421 5.2421 5.2896 5.2896 5.5116 5.5116 5.5587 5.5587 5.8392 5.8392 5.8740 5.8740 6.0666 6.0666 6.1156 6.1156 6.1866 6.1866 6.2568 6.2568 8.1083 8.1083 8.4164 8.4164 8.6794 8.6794 11.2395 11.2395 11.7316 11.7316 12.2364 12.2364 12.3103 12.3103 k =-0.2780 0.4859 0.5598 ( 3110 PWs) bands (ev): -31.5403 -31.5403 -12.8417 -12.8417 -12.4836 -12.4836 -12.4442 -12.4442 -0.6038 -0.6038 0.6445 0.6445 3.9109 3.9109 5.2400 5.2400 5.2972 5.2972 5.4986 5.4986 5.5704 5.5704 5.8437 5.8437 5.8805 5.8805 6.0601 6.0601 6.1117 6.1117 6.1730 6.1730 6.2541 6.2541 8.0239 8.0239 8.3567 8.3567 8.7096 8.7096 11.1394 11.1394 11.8106 11.8106 12.2020 12.2020 12.3595 12.3595 k =-0.2715 0.4746 0.5468 ( 3110 PWs) bands (ev): -31.5403 -31.5403 -12.8420 -12.8420 -12.4839 -12.4839 -12.4441 -12.4441 -0.6247 -0.6247 0.7028 0.7028 3.8934 3.8934 5.2358 5.2358 5.3061 5.3061 5.4854 5.4854 5.5832 5.5832 5.8436 5.8436 5.8897 5.8897 6.0540 6.0540 6.1099 6.1099 6.1607 6.1607 6.2531 6.2531 7.9417 7.9417 8.2999 8.2999 8.7398 8.7398 11.0382 11.0382 11.8905 11.8905 12.1699 12.1699 12.4086 12.4086 k =-0.2650 0.4633 0.5338 ( 3110 PWs) bands (ev): -31.5403 -31.5403 -12.8421 -12.8421 -12.4842 -12.4842 -12.4439 -12.4439 -0.6487 -0.6487 0.7609 0.7609 3.8810 3.8810 5.2294 5.2294 5.3162 5.3162 5.4724 5.4724 5.5965 5.5965 5.8402 5.8402 5.8998 5.8998 6.0482 6.0482 6.1104 6.1104 6.1504 6.1504 6.2537 6.2537 7.8618 7.8618 8.2464 8.2464 8.7702 8.7702 10.9365 10.9365 11.9708 11.9708 12.1404 12.1404 12.4562 12.4562 k =-0.2586 0.4520 0.5208 ( 3118 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4844 -12.4844 -12.4439 -12.4439 -0.6756 -0.6756 0.8188 0.8188 3.8737 3.8737 5.2204 5.2204 5.3275 5.3275 5.4602 5.4602 5.6101 5.6101 5.8348 5.8348 5.9094 5.9094 6.0431 6.0431 6.1129 6.1129 6.1425 6.1425 6.2558 6.2558 7.7841 7.7841 8.1964 8.1964 8.8008 8.8008 10.8347 10.8347 12.0508 12.0508 12.1136 12.1136 12.5010 12.5010 k =-0.2521 0.4407 0.5077 ( 3118 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4845 -12.4845 -12.4438 -12.4438 -0.7052 -0.7052 0.8763 0.8763 3.8712 3.8712 5.2088 5.2088 5.3399 5.3399 5.4495 5.4495 5.6240 5.6240 5.8281 5.8281 5.9174 5.9174 6.0389 6.0389 6.1174 6.1174 6.1374 6.1374 6.2594 6.2594 7.7086 7.7086 8.1500 8.1500 8.8317 8.8317 10.7330 10.7330 12.0875 12.0875 12.1320 12.1320 12.5418 12.5418 k =-0.2457 0.4294 0.4947 ( 3124 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4844 -12.4844 -12.4438 -12.4438 -0.7375 -0.7375 0.9331 0.9331 3.8732 3.8732 5.1946 5.1946 5.3523 5.3523 5.4412 5.4412 5.6380 5.6380 5.8206 5.8206 5.9227 5.9227 6.0364 6.0364 6.1236 6.1236 6.1356 6.1356 6.2643 6.2643 7.6352 7.6352 8.1076 8.1076 8.8629 8.8629 10.6317 10.6317 12.0662 12.0662 12.2094 12.2094 12.5773 12.5773 k =-0.2392 0.4181 0.4817 ( 3120 PWs) bands (ev): -31.5403 -31.5403 -12.8421 -12.8421 -12.4843 -12.4843 -12.4437 -12.4437 -0.7722 -0.7722 0.9891 0.9891 3.8792 3.8792 5.1781 5.1781 5.3626 5.3626 5.4380 5.4380 5.6520 5.6520 5.8126 5.8126 5.9245 5.9245 6.0365 6.0365 6.1309 6.1309 6.1375 6.1375 6.2704 6.2704 7.5640 7.5640 8.0691 8.0691 8.8946 8.8946 10.5310 10.5310 12.0468 12.0468 12.2841 12.2841 12.6070 12.6070 k =-0.2327 0.4068 0.4687 ( 3124 PWs) bands (ev): -31.5403 -31.5403 -12.8419 -12.8419 -12.4840 -12.4840 -12.4437 -12.4437 -0.8092 -0.8092 1.0441 1.0441 3.8889 3.8889 5.1595 5.1595 5.3674 5.3674 5.4432 5.4432 5.6657 5.6657 5.8047 5.8047 5.9225 5.9225 6.0397 6.0397 6.1378 6.1378 6.1441 6.1441 6.2778 6.2778 7.4949 7.4949 8.0349 8.0349 8.9268 8.9268 10.4311 10.4311 12.0299 12.0299 12.3525 12.3525 12.6317 12.6317 k =-0.2263 0.3955 0.4557 ( 3120 PWs) bands (ev): -31.5403 -31.5403 -12.8417 -12.8417 -12.4836 -12.4836 -12.4437 -12.4437 -0.8481 -0.8481 1.0979 1.0979 3.9018 3.9018 5.1392 5.1392 5.3657 5.3657 5.4581 5.4581 5.6790 5.6790 5.7973 5.7973 5.9169 5.9169 6.0461 6.0461 6.1450 6.1450 6.1543 6.1543 6.2863 6.2863 7.4280 7.4280 8.0049 8.0049 8.9596 8.9596 10.3320 10.3320 12.0154 12.0154 12.4089 12.4089 12.6558 12.6558 k =-0.2198 0.3842 0.4426 ( 3117 PWs) bands (ev): -31.5404 -31.5404 -12.8414 -12.8414 -12.4831 -12.4831 -12.4438 -12.4438 -0.8888 -0.8888 1.1503 1.1503 3.9172 3.9172 5.1177 5.1177 5.3599 5.3599 5.4805 5.4805 5.6913 5.6913 5.7910 5.7910 5.9087 5.9087 6.0550 6.0550 6.1536 6.1536 6.1663 6.1663 6.2958 6.2958 7.3630 7.3630 7.9793 7.9793 8.9931 8.9931 10.2340 10.2340 12.0033 12.0033 12.4442 12.4442 12.6875 12.6875 k =-0.2133 0.3729 0.4296 ( 3121 PWs) bands (ev): -31.5404 -31.5404 -12.8410 -12.8410 -12.4825 -12.4825 -12.4439 -12.4439 -0.9309 -0.9309 1.2011 1.2011 3.9345 3.9345 5.0955 5.0955 5.3521 5.3521 5.5079 5.5079 5.7019 5.7019 5.7866 5.7866 5.8989 5.8989 6.0660 6.0660 6.1639 6.1639 6.1794 6.1794 6.3063 6.3063 7.3000 7.3000 7.9582 7.9582 9.0272 9.0272 10.1370 10.1370 11.9935 11.9935 12.4519 12.4519 12.7333 12.7333 k =-0.2069 0.3616 0.4166 ( 3123 PWs) bands (ev): -31.5405 -31.5405 -12.8406 -12.8406 -12.4818 -12.4818 -12.4439 -12.4439 -0.9744 -0.9744 1.2501 1.2501 3.9530 3.9530 5.0732 5.0732 5.3438 5.3438 5.5388 5.5388 5.7101 5.7101 5.7851 5.7851 5.8885 5.8885 6.0787 6.0787 6.1756 6.1756 6.1935 6.1935 6.3177 6.3177 7.2390 7.2390 7.9417 7.9417 9.0621 9.0621 10.0412 10.0412 11.9861 11.9861 12.4345 12.4345 12.7915 12.7915 k =-0.2004 0.3503 0.4036 ( 3125 PWs) bands (ev): -31.5405 -31.5405 -12.8402 -12.8402 -12.4811 -12.4811 -12.4441 -12.4441 -1.0188 -1.0188 1.2972 1.2972 3.9719 3.9719 5.0516 5.0516 5.3354 5.3354 5.5721 5.5721 5.7156 5.7156 5.7870 5.7870 5.8785 5.8785 6.0927 6.0927 6.1884 6.1884 6.2084 6.2084 6.3299 6.3299 7.1798 7.1798 7.9300 7.9300 9.0977 9.0977 9.9466 9.9466 11.9809 11.9809 12.3988 12.3988 12.8565 12.8565 k =-0.1939 0.3390 0.3906 ( 3119 PWs) bands (ev): -31.5406 -31.5406 -12.8396 -12.8396 -12.4801 -12.4801 -12.4442 -12.4442 -1.0639 -1.0639 1.3422 1.3422 3.9906 3.9906 5.0313 5.0313 5.3273 5.3273 5.6060 5.6060 5.7196 5.7196 5.7919 5.7919 5.8701 5.8701 6.1079 6.1079 6.2024 6.2024 6.2240 6.2240 6.3428 6.3428 7.1226 7.1226 7.9233 7.9233 9.1341 9.1341 9.8534 9.8534 11.9780 11.9780 12.3504 12.3504 12.9242 12.9242 k =-0.1875 0.3277 0.3775 ( 3119 PWs) bands (ev): -31.5407 -31.5407 -12.8391 -12.8391 -12.4792 -12.4792 -12.4443 -12.4443 -1.1096 -1.1096 1.3850 1.3850 4.0080 4.0080 5.0129 5.0129 5.3195 5.3195 5.6363 5.6363 5.7258 5.7258 5.7982 5.7982 5.8651 5.8651 6.1242 6.1242 6.2173 6.2173 6.2403 6.2403 6.3564 6.3564 7.0672 7.0672 7.9217 7.9217 9.1713 9.1713 9.7616 9.7616 11.9772 11.9772 12.2929 12.2929 12.9922 12.9922 k =-0.1810 0.3164 0.3645 ( 3115 PWs) bands (ev): -31.5407 -31.5407 -12.8385 -12.8385 -12.4781 -12.4781 -12.4444 -12.4444 -1.1556 -1.1556 1.4256 1.4256 4.0235 4.0235 4.9973 4.9973 5.3121 5.3121 5.6564 5.6564 5.7393 5.7393 5.8051 5.8051 5.8656 5.8656 6.1419 6.1419 6.2331 6.2331 6.2571 6.2571 6.3704 6.3704 7.0137 7.0137 7.9253 7.9253 9.2094 9.2094 9.6712 9.6712 11.9785 11.9785 12.2291 12.2291 13.0592 13.0592 k =-0.1745 0.3051 0.3515 ( 3119 PWs) bands (ev): -31.5408 -31.5408 -12.8378 -12.8378 -12.4770 -12.4770 -12.4446 -12.4446 -1.2016 -1.2016 1.4637 1.4637 4.0364 4.0364 4.9849 4.9849 5.3052 5.3052 5.6636 5.6636 5.7561 5.7561 5.8174 5.8174 5.8733 5.8733 6.1608 6.1608 6.2500 6.2500 6.2746 6.2746 6.3848 6.3848 6.9619 6.9619 7.9344 7.9344 9.2482 9.2482 9.5823 9.5823 11.9817 11.9817 12.1606 12.1606 13.1242 13.1242 k =-0.1681 0.2938 0.3385 ( 3119 PWs) bands (ev): -31.5409 -31.5409 -12.8372 -12.8372 -12.4758 -12.4758 -12.4448 -12.4448 -1.2475 -1.2475 1.4994 1.4994 4.0459 4.0459 4.9763 4.9763 5.2989 5.2989 5.6628 5.6628 5.7632 5.7632 5.8410 5.8410 5.8895 5.8895 6.1813 6.1813 6.2679 6.2679 6.2929 6.2929 6.3995 6.3995 6.9120 6.9120 7.9491 7.9491 9.2878 9.2878 9.4950 9.4950 11.9868 11.9868 12.0891 12.0891 13.1868 13.1868 k =-0.1616 0.2825 0.3255 ( 3123 PWs) bands (ev): -31.5410 -31.5410 -12.8365 -12.8365 -12.4745 -12.4745 -12.4449 -12.4449 -1.2930 -1.2930 1.5327 1.5327 4.0516 4.0516 4.9718 4.9718 5.2930 5.2930 5.6582 5.6582 5.7614 5.7614 5.8663 5.8663 5.9176 5.9176 6.2035 6.2035 6.2875 6.2875 6.3123 6.3123 6.4143 6.4143 6.8640 6.8640 7.9697 7.9697 9.3278 9.3278 9.4097 9.4097 11.9927 11.9927 12.0167 12.0167 13.2465 13.2465 k =-0.1552 0.2712 0.3125 ( 3127 PWs) bands (ev): -31.5411 -31.5411 -12.8358 -12.8358 -12.4732 -12.4732 -12.4452 -12.4452 -1.3380 -1.3380 1.5635 1.5635 4.0532 4.0532 4.9716 4.9716 5.2877 5.2877 5.6516 5.6516 5.7564 5.7564 5.8860 5.8860 5.9561 5.9561 6.2273 6.2273 6.3089 6.3089 6.3340 6.3340 6.4291 6.4291 6.8179 6.8179 7.9962 7.9962 9.3235 9.3235 9.3710 9.3710 11.9397 11.9397 12.0036 12.0036 13.3030 13.3030 k =-0.1487 0.2599 0.2994 ( 3123 PWs) bands (ev): -31.5412 -31.5412 -12.8351 -12.8351 -12.4718 -12.4718 -12.4453 -12.4453 -1.3823 -1.3823 1.5919 1.5919 4.0508 4.0508 4.9755 4.9755 5.2830 5.2830 5.6437 5.6437 5.7506 5.7506 5.9024 5.9024 5.9974 5.9974 6.2517 6.2517 6.3315 6.3315 6.3609 6.3609 6.4438 6.4438 6.7739 6.7739 8.0289 8.0289 9.2420 9.2420 9.4120 9.4120 11.8646 11.8646 12.0137 12.0137 13.3559 13.3559 k =-0.1422 0.2486 0.2864 ( 3125 PWs) bands (ev): -31.5413 -31.5413 -12.8344 -12.8344 -12.4705 -12.4705 -12.4455 -12.4455 -1.4257 -1.4257 1.6179 1.6179 4.0445 4.0445 4.9832 4.9832 5.2788 5.2788 5.6350 5.6350 5.7452 5.7452 5.9174 5.9174 6.0364 6.0364 6.2753 6.2753 6.3536 6.3536 6.3971 6.3971 6.4585 6.4585 6.7322 6.7322 8.0680 8.0680 9.1615 9.1615 9.4543 9.4543 11.7892 11.7892 12.0256 12.0256 13.4050 13.4050 k =-0.1358 0.2373 0.2734 ( 3125 PWs) bands (ev): -31.5414 -31.5414 -12.8336 -12.8336 -12.4690 -12.4690 -12.4457 -12.4457 -1.4681 -1.4681 1.6415 1.6415 4.0346 4.0346 4.9942 4.9942 5.2752 5.2752 5.6255 5.6255 5.7407 5.7407 5.9317 5.9317 6.0707 6.0707 6.2965 6.2965 6.3746 6.3746 6.4432 6.4432 6.4753 6.4753 6.6933 6.6933 8.1135 8.1135 9.0827 9.0827 9.4973 9.4973 11.7143 11.7143 12.0389 12.0389 13.4502 13.4502 k =-0.1293 0.2260 0.2604 ( 3131 PWs) bands (ev): -31.5415 -31.5415 -12.8329 -12.8329 -12.4676 -12.4676 -12.4459 -12.4459 -1.5094 -1.5094 1.6629 1.6629 4.0216 4.0216 5.0081 5.0081 5.2720 5.2720 5.6153 5.6153 5.7373 5.7373 5.9453 5.9453 6.0997 6.0997 6.3148 6.3148 6.3946 6.3946 6.4769 6.4769 6.5146 6.5146 6.6584 6.6584 8.1654 8.1654 9.0057 9.0057 9.5408 9.5408 11.6401 11.6401 12.0534 12.0534 13.4911 13.4911 k =-0.1228 0.2147 0.2474 ( 3131 PWs) bands (ev): -31.5416 -31.5416 -12.8322 -12.8322 -12.4662 -12.4662 -12.4460 -12.4460 -1.5493 -1.5493 1.6822 1.6822 4.0061 4.0061 5.0240 5.0240 5.2694 5.2694 5.6048 5.6048 5.7352 5.7352 5.9583 5.9583 6.1239 6.1239 6.3303 6.3303 6.4136 6.4136 6.4909 6.4909 6.5762 6.5762 6.6343 6.6343 8.2237 8.2237 8.9306 8.9306 9.5846 9.5846 11.5669 11.5669 12.0691 12.0691 13.5274 13.5274 k =-0.1164 0.2034 0.2343 ( 3123 PWs) bands (ev): -31.5417 -31.5417 -12.8315 -12.8315 -12.4647 -12.4647 -12.4461 -12.4461 -1.5879 -1.5879 1.6994 1.6994 3.9887 3.9887 5.0416 5.0416 5.2674 5.2674 5.5940 5.5940 5.7343 5.7343 5.9707 5.9707 6.1440 6.1440 6.3429 6.3429 6.4308 6.4308 6.5003 6.5003 6.5897 6.5897 6.6755 6.6755 8.2885 8.2885 8.8576 8.8576 9.6287 9.6287 11.4949 11.4949 12.0856 12.0856 13.5587 13.5587 k =-0.1099 0.1921 0.2213 ( 3115 PWs) bands (ev): -31.5418 -31.5418 -12.8308 -12.8308 -12.4633 -12.4633 -12.4462 -12.4462 -1.6249 -1.6249 1.7148 1.7148 3.9699 3.9699 5.0600 5.0600 5.2658 5.2658 5.5830 5.5830 5.7346 5.7346 5.9825 5.9825 6.1610 6.1610 6.3522 6.3522 6.4445 6.4445 6.5058 6.5058 6.5786 6.5786 6.7589 6.7589 8.3596 8.3596 8.7866 8.7866 9.6728 9.6728 11.4240 11.4240 12.1027 12.1027 13.5840 13.5840 k =-0.1034 0.1808 0.2083 ( 3103 PWs) bands (ev): -31.5419 -31.5419 -12.8300 -12.8300 -12.4619 -12.4619 -12.4463 -12.4463 -1.6603 -1.6603 1.7283 1.7283 3.9501 3.9501 5.0790 5.0790 5.2648 5.2648 5.5719 5.5719 5.7361 5.7361 5.9935 5.9935 6.1756 6.1756 6.3567 6.3567 6.4518 6.4518 6.5090 6.5090 6.5776 6.5776 6.8503 6.8503 8.4367 8.4367 8.7179 8.7179 9.7169 9.7169 11.3544 11.3544 12.1202 12.1202 13.5976 13.5976 k =-0.0970 0.1695 0.1953 ( 3101 PWs) bands (ev): -31.5420 -31.5420 -12.8294 -12.8294 -12.4606 -12.4606 -12.4463 -12.4463 -1.6940 -1.6940 1.7402 1.7402 3.9299 3.9299 5.0979 5.0979 5.2643 5.2643 5.5608 5.5608 5.7386 5.7386 6.0037 6.0037 6.1881 6.1881 6.3548 6.3548 6.4528 6.4528 6.5148 6.5148 6.5864 6.5864 6.9464 6.9464 8.5197 8.5197 8.6515 8.6515 9.7606 9.7606 11.2860 11.2860 12.1378 12.1378 13.5053 13.5053 k =-0.0905 0.1582 0.1823 ( 3105 PWs) bands (ev): -31.5421 -31.5421 -12.8288 -12.8288 -12.4594 -12.4594 -12.4463 -12.4463 -1.7259 -1.7259 1.7506 1.7506 3.9096 3.9096 5.1163 5.1163 5.2642 5.2642 5.5499 5.5499 5.7421 5.7421 6.0129 6.0129 6.1987 6.1987 6.3456 6.3456 6.4526 6.4526 6.5229 6.5229 6.6011 6.6011 7.0455 7.0455 8.5875 8.5875 8.6082 8.6082 9.8038 9.8038 11.2186 11.2186 12.1550 12.1550 13.3794 13.3794 k =-0.0840 0.1469 0.1692 ( 3103 PWs) bands (ev): -31.5422 -31.5422 -12.8282 -12.8282 -12.4583 -12.4583 -12.4462 -12.4462 -1.7559 -1.7559 1.7596 1.7596 3.8895 3.8895 5.1340 5.1340 5.2648 5.2648 5.5393 5.5393 5.7465 5.7465 6.0212 6.0212 6.2078 6.2078 6.3305 6.3305 6.4546 6.4546 6.5314 6.5314 6.6195 6.6195 7.1466 7.1466 8.5260 8.5260 8.7018 8.7018 9.8462 9.8462 11.1520 11.1520 12.1712 12.1712 13.2520 13.2520 k =-0.0776 0.1356 0.1562 ( 3103 PWs) bands (ev): -31.5423 -31.5423 -12.8276 -12.8276 -12.4573 -12.4573 -12.4460 -12.4460 -1.7839 -1.7839 1.7674 1.7674 3.8700 3.8700 5.1507 5.1507 5.2658 5.2658 5.5290 5.5290 5.7518 5.7518 6.0285 6.0285 6.2153 6.2153 6.3123 6.3123 6.4587 6.4587 6.5392 6.5392 6.6401 6.6401 7.2487 7.2487 8.4674 8.4674 8.8002 8.8002 9.8876 9.8876 11.0860 11.0860 12.1858 12.1858 13.1253 13.1253 k =-0.0711 0.1243 0.1432 ( 3107 PWs) bands (ev): -31.5424 -31.5424 -12.8271 -12.8271 -12.4565 -12.4565 -12.4458 -12.4458 -1.8100 -1.8100 1.7740 1.7740 3.8514 3.8514 5.1660 5.1660 5.2673 5.2673 5.5192 5.5192 5.7577 5.7577 6.0346 6.0346 6.2208 6.2208 6.2938 6.2938 6.4640 6.4640 6.5459 6.5459 6.6619 6.6619 7.3507 7.3507 8.4117 8.4117 8.9029 8.9029 9.9276 9.9276 11.0202 11.0202 12.1977 12.1977 13.0015 13.0015 k =-0.0646 0.1130 0.1302 ( 3107 PWs) bands (ev): -31.5425 -31.5425 -12.8266 -12.8266 -12.4558 -12.4558 -12.4455 -12.4455 -1.8339 -1.8339 1.7796 1.7796 3.8338 3.8338 5.1800 5.1800 5.2695 5.2695 5.5099 5.5099 5.7643 5.7643 6.0394 6.0394 6.2233 6.2233 6.2775 6.2775 6.4697 6.4697 6.5516 6.5516 6.6842 6.6842 7.4514 7.4514 8.3592 8.3592 9.0094 9.0094 9.9660 9.9660 10.9541 10.9541 12.2052 12.2052 12.8836 12.8836 k =-0.0582 0.1017 0.1172 ( 3095 PWs) bands (ev): -31.5426 -31.5426 -12.8261 -12.8261 -12.4552 -12.4552 -12.4451 -12.4451 -1.8557 -1.8557 1.7844 1.7844 3.8174 3.8174 5.1923 5.1923 5.2722 5.2722 5.5011 5.5011 5.7716 5.7716 6.0428 6.0428 6.2209 6.2209 6.2664 6.2664 6.4754 6.4754 6.5564 6.5564 6.7066 6.7066 7.5498 7.5498 8.3101 8.3101 9.1191 9.1191 10.0024 10.0024 10.8873 10.8873 12.2059 12.2059 12.7753 12.7753 k =-0.0517 0.0904 0.1042 ( 3079 PWs) bands (ev): -31.5426 -31.5426 -12.8257 -12.8257 -12.4547 -12.4547 -12.4446 -12.4446 -1.8754 -1.8754 1.7883 1.7883 3.8023 3.8023 5.2031 5.2031 5.2754 5.2754 5.4931 5.4931 5.7793 5.7793 6.0446 6.0446 6.2126 6.2126 6.2621 6.2621 6.4808 6.4808 6.5605 6.5605 6.7284 6.7284 7.6443 7.6443 8.2648 8.2648 9.2314 9.2314 10.0364 10.0364 10.8190 10.8190 12.1966 12.1966 12.6816 12.6816 k =-0.0453 0.0791 0.0911 ( 3077 PWs) bands (ev): -31.5427 -31.5427 -12.8253 -12.8253 -12.4543 -12.4543 -12.4442 -12.4442 -1.8928 -1.8928 1.7916 1.7916 3.7888 3.7888 5.2121 5.2121 5.2790 5.2790 5.4857 5.4857 5.7872 5.7872 6.0447 6.0447 6.2015 6.2015 6.2620 6.2620 6.4857 6.4857 6.5639 6.5639 6.7490 6.7490 7.7337 7.7337 8.2235 8.2235 9.3455 9.3455 10.0676 10.0676 10.7486 10.7486 12.1737 12.1737 12.6074 12.6074 k =-0.0388 0.0678 0.0781 ( 3079 PWs) bands (ev): -31.5427 -31.5427 -12.8250 -12.8250 -12.4541 -12.4541 -12.4437 -12.4437 -1.9080 -1.9080 1.7943 1.7943 3.7769 3.7769 5.2193 5.2193 5.2828 5.2828 5.4791 5.4791 5.7951 5.7951 6.0430 6.0430 6.1907 6.1907 6.2636 6.2636 6.4901 6.4901 6.5667 6.5667 6.7682 6.7682 7.8161 7.8161 8.1867 8.1867 9.4607 9.4607 10.0956 10.0956 10.6755 10.6755 12.1360 12.1360 12.5558 12.5558 k =-0.0323 0.0565 0.0651 ( 3075 PWs) bands (ev): -31.5428 -31.5428 -12.8247 -12.8247 -12.4539 -12.4539 -12.4433 -12.4433 -1.9209 -1.9209 1.7964 1.7964 3.7666 3.7666 5.2250 5.2250 5.2865 5.2865 5.4734 5.4734 5.8028 5.8028 6.0400 6.0400 6.1815 6.1815 6.2657 6.2657 6.4939 6.4939 6.5689 6.5689 6.7854 6.7854 7.8900 7.8900 8.1548 8.1548 9.5762 9.5762 10.1200 10.1200 10.5989 10.5989 12.0876 12.0876 12.5244 12.5244 k =-0.0259 0.0452 0.0521 ( 3073 PWs) bands (ev): -31.5428 -31.5428 -12.8245 -12.8245 -12.4538 -12.4538 -12.4429 -12.4429 -1.9315 -1.9315 1.7980 1.7980 3.7582 3.7582 5.2294 5.2294 5.2900 5.2900 5.4686 5.4686 5.8100 5.8100 6.0359 6.0359 6.1744 6.1744 6.2676 6.2676 6.4970 6.4970 6.5707 6.5707 6.8002 6.8002 7.9534 7.9534 8.1283 8.1283 9.6911 9.6911 10.1403 10.1403 10.5185 10.5185 12.0361 12.0361 12.5074 12.5074 k =-0.0194 0.0339 0.0391 ( 3081 PWs) bands (ev): -31.5428 -31.5428 -12.8244 -12.8244 -12.4537 -12.4537 -12.4426 -12.4426 -1.9397 -1.9397 1.7993 1.7993 3.7515 3.7515 5.2326 5.2326 5.2930 5.2930 5.4648 5.4648 5.8162 5.8162 6.0314 6.0314 6.1691 6.1691 6.2691 6.2691 6.4994 6.4994 6.5720 6.5720 6.8122 6.8122 8.0042 8.0042 8.1079 8.1079 9.8043 9.8043 10.1559 10.1559 10.4343 10.4343 11.9889 11.9889 12.4991 12.4991 k =-0.0129 0.0226 0.0260 ( 3081 PWs) bands (ev): -31.5429 -31.5429 -12.8242 -12.8242 -12.4537 -12.4537 -12.4424 -12.4424 -1.9456 -1.9456 1.8001 1.8001 3.7467 3.7467 5.2349 5.2349 5.2953 5.2953 5.4620 5.4620 5.8211 5.8211 6.0275 6.0275 6.1657 6.1657 6.2703 6.2703 6.5011 6.5011 6.5729 6.5729 6.8210 6.8210 8.0400 8.0400 8.0949 8.0949 9.9143 9.9143 10.1654 10.1654 10.3477 10.3477 11.9518 11.9518 12.4954 12.4954 k =-0.0065 0.0113 0.0130 ( 3081 PWs) bands (ev): -31.5429 -31.5429 -12.8242 -12.8242 -12.4536 -12.4536 -12.4422 -12.4422 -1.9492 -1.9492 1.8006 1.8006 3.7438 3.7438 5.2361 5.2361 5.2968 5.2968 5.4603 5.4603 5.8242 5.8242 6.0248 6.0248 6.1638 6.1638 6.2710 6.2710 6.5022 6.5022 6.5735 6.5735 6.8265 6.8265 8.0574 8.0574 8.0916 8.0916 10.0186 10.0186 10.1625 10.1625 10.2666 10.2666 11.9281 11.9281 12.4940 12.4940 k = 0.0000 0.0000 0.0000 ( 3081 PWs) bands (ev): -31.5429 -31.5429 -12.8241 -12.8241 -12.4536 -12.4536 -12.4422 -12.4422 -1.9504 -1.9504 1.8008 1.8008 3.7429 3.7429 5.2366 5.2366 5.2972 5.2972 5.4597 5.4597 5.8253 5.8253 6.0238 6.0238 6.1632 6.1632 6.2713 6.2713 6.5026 6.5026 6.5736 6.5736 6.8283 6.8283 8.0608 8.0608 8.0930 8.0930 10.0962 10.0962 10.1289 10.1289 10.2293 10.2293 11.9200 11.9200 12.4937 12.4937 k = 0.0000 0.0000 0.0000 ( 3081 PWs) bands (ev): -31.5429 -31.5429 -12.8241 -12.8241 -12.4536 -12.4536 -12.4422 -12.4422 -1.9504 -1.9504 1.8008 1.8008 3.7429 3.7429 5.2366 5.2366 5.2972 5.2972 5.4597 5.4597 5.8253 5.8253 6.0238 6.0238 6.1632 6.1632 6.2713 6.2713 6.5026 6.5026 6.5736 6.5736 6.8283 6.8283 8.0608 8.0608 8.0930 8.0930 10.0962 10.0962 10.1289 10.1289 10.2293 10.2293 11.9200 11.9200 12.4937 12.4937 k = 0.0161 0.0092 0.0000 ( 3081 PWs) bands (ev): -31.5429 -31.5429 -12.8241 -12.8241 -12.4536 -12.4536 -12.4422 -12.4422 -1.9490 -1.9490 1.7934 1.7934 3.7488 3.7488 5.2367 5.2367 5.2974 5.2974 5.4597 5.4597 5.8239 5.8239 6.0244 6.0244 6.1630 6.1630 6.2709 6.2709 6.5025 6.5025 6.5774 6.5774 6.8284 6.8284 8.0591 8.0591 8.0914 8.0914 10.0950 10.0950 10.1328 10.1328 10.2331 10.2331 11.9241 11.9241 12.4580 12.4580 k = 0.0323 0.0185 0.0000 ( 3077 PWs) bands (ev): -31.5429 -31.5429 -12.8241 -12.8241 -12.4536 -12.4536 -12.4422 -12.4422 -1.9448 -1.9448 1.7715 1.7715 3.7661 3.7661 5.2372 5.2372 5.2980 5.2980 5.4598 5.4598 5.8199 5.8199 6.0261 6.0261 6.1624 6.1624 6.2697 6.2697 6.5025 6.5025 6.5888 6.5888 6.8286 6.8286 8.0541 8.0541 8.0869 8.0869 10.0917 10.0917 10.1443 10.1443 10.2444 10.2444 11.9364 11.9364 12.3881 12.3881 k = 0.0484 0.0277 0.0000 ( 3077 PWs) bands (ev): -31.5429 -31.5429 -12.8242 -12.8242 -12.4537 -12.4537 -12.4422 -12.4422 -1.9379 -1.9379 1.7361 1.7361 3.7939 3.7939 5.2381 5.2381 5.2990 5.2990 5.4599 5.4599 5.8135 5.8135 6.0286 6.0286 6.1614 6.1614 6.2678 6.2678 6.5025 6.5025 6.6077 6.6077 6.8290 6.8290 8.0458 8.0458 8.0794 8.0794 10.0864 10.0864 10.1633 10.1633 10.2630 10.2630 11.9568 11.9568 12.3107 12.3107 k = 0.0645 0.0369 0.0000 ( 3085 PWs) bands (ev): -31.5429 -31.5429 -12.8242 -12.8242 -12.4538 -12.4538 -12.4422 -12.4422 -1.9282 -1.9282 1.6885 1.6885 3.8305 3.8305 5.2391 5.2391 5.3003 5.3003 5.4600 5.4600 5.8053 5.8053 6.0314 6.0314 6.1599 6.1599 6.2649 6.2649 6.5024 6.5024 6.6341 6.6341 6.8297 6.8297 8.0346 8.0346 8.0692 8.0692 10.0792 10.0792 10.1895 10.1895 10.2886 10.2886 11.9849 11.9849 12.2324 12.2324 k = 0.0806 0.0461 0.0000 ( 3085 PWs) bands (ev): -31.5429 -31.5429 -12.8243 -12.8243 -12.4539 -12.4539 -12.4422 -12.4422 -1.9158 -1.9158 1.6304 1.6304 3.8742 3.8742 5.2406 5.2406 5.3020 5.3020 5.4602 5.4602 5.7958 5.7958 6.0342 6.0342 6.1580 6.1580 6.2615 6.2615 6.5023 6.5023 6.6679 6.6679 6.8309 6.8309 8.0207 8.0207 8.0566 8.0566 10.0704 10.0704 10.2226 10.2226 10.3209 10.3209 12.0207 12.0207 12.1552 12.1552 k = 0.0968 0.0554-0.0000 ( 3105 PWs) bands (ev): -31.5429 -31.5429 -12.8244 -12.8244 -12.4541 -12.4541 -12.4423 -12.4423 -1.9006 -1.9006 1.5635 1.5635 3.9231 3.9231 5.2422 5.2422 5.3039 5.3039 5.4604 5.4604 5.7853 5.7853 6.0367 6.0367 6.1556 6.1556 6.2574 6.2574 6.5021 6.5021 6.7085 6.7085 6.8332 6.8332 8.0044 8.0044 8.0419 8.0419 10.0602 10.0602 10.2622 10.2622 10.3595 10.3595 12.0638 12.0638 12.0799 12.0799 k = 0.1129 0.0646-0.0000 ( 3105 PWs) bands (ev): -31.5429 -31.5429 -12.8245 -12.8245 -12.4542 -12.4542 -12.4423 -12.4423 -1.8827 -1.8827 1.4892 1.4892 3.9754 3.9754 5.2442 5.2442 5.3064 5.3064 5.4606 5.4606 5.7743 5.7743 6.0387 6.0387 6.1529 6.1529 6.2527 6.2527 6.5020 6.5020 6.7536 6.7536 6.8392 6.8392 7.9862 7.9862 8.0254 8.0254 10.0489 10.0489 10.3078 10.3078 10.4040 10.4040 12.0070 12.0070 12.1139 12.1139 k = 0.1290 0.0738 0.0000 ( 3105 PWs) bands (ev): -31.5429 -31.5429 -12.8245 -12.8245 -12.4544 -12.4544 -12.4423 -12.4423 -1.8621 -1.8621 1.4091 1.4091 4.0296 4.0296 5.2466 5.2466 5.3092 5.3092 5.4608 5.4608 5.7632 5.7632 6.0401 6.0401 6.1498 6.1498 6.2475 6.2475 6.5018 6.5018 6.7931 6.7931 6.8589 6.8589 7.9665 7.9665 8.0075 8.0075 10.0367 10.0367 10.3589 10.3589 10.4539 10.4539 11.9368 11.9368 12.1707 12.1707 k = 0.1452 0.0830 0.0000 ( 3105 PWs) bands (ev): -31.5429 -31.5429 -12.8246 -12.8246 -12.4545 -12.4545 -12.4423 -12.4423 -1.8388 -1.8388 1.3243 1.3243 4.0841 4.0841 5.2492 5.2492 5.3124 5.3124 5.4611 5.4611 5.7522 5.7522 6.0409 6.0409 6.1464 6.1464 6.2416 6.2416 6.5016 6.5016 6.8110 6.8110 6.9085 6.9085 7.9456 7.9456 7.9884 7.9884 10.0238 10.0238 10.4150 10.4150 10.5088 10.5088 11.8695 11.8695 12.2337 12.2337 k = 0.1613 0.0923 0.0000 ( 3113 PWs) bands (ev): -31.5429 -31.5429 -12.8247 -12.8247 -12.4548 -12.4548 -12.4423 -12.4423 -1.8128 -1.8128 1.2358 1.2358 4.1377 4.1377 5.2520 5.2520 5.3159 5.3159 5.4614 5.4614 5.7414 5.7414 6.0408 6.0408 6.1425 6.1425 6.2354 6.2354 6.5014 6.5014 6.8168 6.8168 6.9783 6.9783 7.9239 7.9239 7.9686 7.9686 10.0106 10.0106 10.4755 10.4755 10.5681 10.5681 11.8051 11.8051 12.3028 12.3028 k = 0.1774 0.1015 0.0000 ( 3125 PWs) bands (ev): -31.5429 -31.5429 -12.8249 -12.8249 -12.4550 -12.4550 -12.4423 -12.4423 -1.7841 -1.7841 1.1445 1.1445 4.1895 4.1895 5.2550 5.2550 5.3196 5.3196 5.4617 5.4617 5.7310 5.7310 6.0401 6.0401 6.1383 6.1383 6.2289 6.2289 6.5012 6.5012 6.8191 6.8191 7.0597 7.0597 7.9017 7.9017 7.9484 7.9484 9.9971 9.9971 10.5401 10.5401 10.6314 10.6314 11.7438 11.7438 12.3774 12.3774 k = 0.1935 0.1107-0.0000 ( 3121 PWs) bands (ev): -31.5429 -31.5429 -12.8250 -12.8250 -12.4552 -12.4552 -12.4423 -12.4423 -1.7528 -1.7528 1.0512 1.0512 4.2388 4.2388 5.2583 5.2583 5.3237 5.3237 5.4620 5.4620 5.7213 5.7213 6.0388 6.0388 6.1338 6.1338 6.2221 6.2221 6.5010 6.5010 6.8203 6.8203 7.1504 7.1504 7.8793 7.8793 7.9280 7.9280 9.9836 9.9836 10.6082 10.6082 10.6982 10.6982 11.6857 11.6857 12.4574 12.4574 k = 0.2097 0.1200 0.0000 ( 3121 PWs) bands (ev): -31.5429 -31.5429 -12.8251 -12.8251 -12.4554 -12.4554 -12.4423 -12.4423 -1.7188 -1.7188 0.9565 0.9565 4.2849 4.2849 5.2618 5.2618 5.3281 5.3281 5.4624 5.4624 5.7121 5.7121 6.0369 6.0369 6.1291 6.1291 6.2150 6.2150 6.5007 6.5007 6.8210 6.8210 7.2494 7.2494 7.8570 7.8570 7.9077 7.9077 9.9702 9.9702 10.6792 10.6792 10.7680 10.7680 11.6306 11.6306 12.5425 12.5425 k = 0.2258 0.1292 0.0000 ( 3129 PWs) bands (ev): -31.5429 -31.5429 -12.8252 -12.8252 -12.4556 -12.4556 -12.4424 -12.4424 -1.6823 -1.6823 0.8608 0.8608 4.3274 4.3274 5.2653 5.2653 5.3326 5.3326 5.4627 5.4627 5.7036 5.7036 6.0344 6.0344 6.1240 6.1240 6.2078 6.2078 6.5005 6.5005 6.8214 6.8214 7.3565 7.3565 7.8351 7.8351 7.8877 7.8877 9.9571 9.9571 10.7527 10.7527 10.8403 10.8403 11.5787 11.5787 12.6323 12.6323 k = 0.2419 0.1384 0.0000 ( 3121 PWs) bands (ev): -31.5429 -31.5429 -12.8253 -12.8253 -12.4558 -12.4558 -12.4424 -12.4424 -1.6432 -1.6432 0.7647 0.7647 4.3663 4.3663 5.2690 5.2690 5.3374 5.3374 5.4631 5.4631 5.6959 5.6959 6.0315 6.0315 6.1189 6.1189 6.2005 6.2005 6.5004 6.5004 6.8218 6.8218 7.4712 7.4712 7.8138 7.8138 7.8682 7.8682 9.9445 9.9445 10.8280 10.8280 10.9144 10.9144 11.5301 11.5301 12.7265 12.7265 k = 0.2581 0.1476 0.0000 ( 3121 PWs) bands (ev): -31.5429 -31.5429 -12.8254 -12.8254 -12.4560 -12.4560 -12.4424 -12.4424 -1.6016 -1.6016 0.6684 0.6684 4.4014 4.4014 5.2729 5.2729 5.3424 5.3424 5.4634 5.4634 5.6888 5.6888 6.0282 6.0282 6.1134 6.1134 6.1933 6.1933 6.5002 6.5002 6.8220 6.8220 7.5928 7.5928 7.7933 7.7933 7.8494 7.8494 9.9323 9.9323 10.9047 10.9047 10.9900 10.9900 11.4845 11.4845 12.8250 12.8250 k = 0.2742 0.1569 0.0000 ( 3129 PWs) bands (ev): -31.5429 -31.5429 -12.8255 -12.8255 -12.4562 -12.4562 -12.4424 -12.4424 -1.5575 -1.5575 0.5722 0.5722 4.4326 4.4326 5.2767 5.2767 5.3474 5.3474 5.4638 5.4638 5.6825 5.6825 6.0246 6.0246 6.1080 6.1080 6.1860 6.1860 6.4999 6.4999 6.8221 6.8221 7.7203 7.7203 7.7746 7.7746 7.8315 7.8315 9.9207 9.9207 10.9821 10.9821 11.0663 11.0663 11.4421 11.4421 12.9274 12.9274 k = 0.2903 0.1661 0.0000 ( 3125 PWs) bands (ev): -31.5429 -31.5429 -12.8256 -12.8256 -12.4564 -12.4564 -12.4424 -12.4424 -1.5109 -1.5109 0.4765 0.4765 4.4602 4.4602 5.2806 5.2806 5.3526 5.3526 5.4641 5.4641 5.6770 5.6770 6.0208 6.0208 6.1025 6.1025 6.1789 6.1789 6.4997 6.4997 6.8222 6.8222 7.7537 7.7537 7.8145 7.8145 7.8572 7.8572 9.9098 9.9098 11.0596 11.0596 11.1428 11.1428 11.4028 11.4028 13.0064 13.0064 k = 0.3065 0.1753 0.0000 ( 3129 PWs) bands (ev): -31.5429 -31.5429 -12.8257 -12.8257 -12.4566 -12.4566 -12.4424 -12.4424 -1.4619 -1.4619 0.3815 0.3815 4.4843 4.4843 5.2846 5.2846 5.3579 5.3579 5.4643 5.4643 5.6720 5.6720 6.0166 6.0166 6.0969 6.0969 6.1720 6.1720 6.4993 6.4993 6.8224 6.8224 7.7365 7.7365 7.7985 7.7985 7.9970 7.9970 9.8995 9.8995 11.1366 11.1366 11.2187 11.2187 11.3666 11.3666 13.0057 13.0057 k = 0.3226 0.1845-0.0000 ( 3121 PWs) bands (ev): -31.5429 -31.5429 -12.8258 -12.8258 -12.4568 -12.4568 -12.4424 -12.4424 -1.4106 -1.4106 0.2874 0.2874 4.5052 4.5052 5.2884 5.2884 5.3631 5.3631 5.4647 5.4647 5.6676 5.6676 6.0127 6.0127 6.0916 6.0916 6.1654 6.1654 6.4991 6.4991 6.8225 6.8225 7.7203 7.7203 7.7837 7.7837 8.1420 8.1420 9.8899 9.8899 11.2123 11.2123 11.2934 11.2934 11.3335 11.3335 13.0659 13.0659 k = 0.3387 0.1938-0.0000 ( 3121 PWs) bands (ev): -31.5429 -31.5429 -12.8259 -12.8259 -12.4570 -12.4570 -12.4424 -12.4424 -1.3570 -1.3570 0.1943 0.1943 4.5231 4.5231 5.2922 5.2922 5.3682 5.3682 5.4649 5.4649 5.6636 5.6636 6.0085 6.0085 6.0864 6.0864 6.1590 6.1590 6.4990 6.4990 6.8225 6.8225 7.7053 7.7053 7.7700 7.7700 8.2910 8.2910 9.8812 9.8812 11.2858 11.2858 11.3036 11.3036 11.3661 11.3661 12.8765 12.8765 k = 0.3548 0.2030-0.0000 ( 3117 PWs) bands (ev): -31.5428 -31.5428 -12.8260 -12.8260 -12.4572 -12.4572 -12.4424 -12.4424 -1.3012 -1.3012 0.1025 0.1025 4.5383 4.5383 5.2957 5.2957 5.3731 5.3731 5.4652 5.4652 5.6603 5.6603 6.0046 6.0046 6.0815 6.0815 6.1531 6.1531 6.4988 6.4988 6.8226 6.8226 7.6916 7.6916 7.7576 7.7576 8.4430 8.4430 9.8732 9.8732 11.2762 11.2762 11.3567 11.3568 11.4360 11.4360 12.6741 12.6741 k = 0.3710 0.2122-0.0000 ( 3117 PWs) bands (ev): -31.5428 -31.5428 -12.8260 -12.8260 -12.4573 -12.4573 -12.4424 -12.4424 -1.2433 -1.2433 0.0122 0.0122 4.5511 4.5511 5.2990 5.2990 5.3777 5.3777 5.4654 5.4654 5.6574 5.6574 6.0008 6.0008 6.0768 6.0768 6.1476 6.1476 6.4986 6.4986 6.8226 6.8226 7.6792 7.6792 7.7464 7.7464 8.5968 8.5968 9.8661 9.8661 11.2521 11.2521 11.4236 11.4236 11.5020 11.5020 12.4691 12.4691 k = 0.3871 0.2214-0.0000 ( 3117 PWs) bands (ev): -31.5428 -31.5428 -12.8261 -12.8261 -12.4575 -12.4575 -12.4424 -12.4424 -1.1834 -1.1834 -0.0763 -0.0763 4.5617 4.5617 5.3021 5.3021 5.3821 5.3821 5.4657 5.4657 5.6549 5.6549 5.9972 5.9972 6.0725 6.0725 6.1426 6.1426 6.4984 6.4984 6.8226 6.8226 7.6683 7.6683 7.7365 7.7365 8.7507 8.7507 9.8597 9.8597 11.2310 11.2310 11.4857 11.4857 11.5634 11.5634 12.2670 12.2670 k = 0.4032 0.2307 0.0000 ( 3141 PWs) bands (ev): -31.5429 -31.5429 -12.8263 -12.8263 -12.4577 -12.4577 -12.4425 -12.4425 -1.1218 -1.1218 -0.1630 -0.1630 4.5701 4.5701 5.3047 5.3047 5.3858 5.3858 5.4658 5.4658 5.6528 5.6528 5.9939 5.9939 6.0687 6.0687 6.1380 6.1380 6.4983 6.4983 6.8224 6.8224 7.6588 7.6588 7.7280 7.7280 8.9024 8.9024 9.8542 9.8542 11.2128 11.2128 11.5418 11.5418 11.6191 11.6191 12.0722 12.0722 k = 0.4194 0.2399 0.0000 ( 3141 PWs) bands (ev): -31.5429 -31.5429 -12.8263 -12.8263 -12.4578 -12.4578 -12.4425 -12.4425 -1.0588 -1.0588 -0.2472 -0.2472 4.5770 4.5770 5.3071 5.3071 5.3893 5.3893 5.4660 5.4660 5.6511 5.6511 5.9910 5.9910 6.0653 6.0653 6.1341 6.1341 6.4981 6.4981 6.8224 6.8224 7.6507 7.6507 7.7207 7.7207 9.0491 9.0491 9.8495 9.8495 11.1977 11.1977 11.5905 11.5905 11.6682 11.6682 11.8890 11.8890 k = 0.4355 0.2491 0.0000 ( 3133 PWs) bands (ev): -31.5428 -31.5428 -12.8263 -12.8263 -12.4578 -12.4578 -12.4425 -12.4425 -0.9950 -0.9950 -0.3284 -0.3284 4.5824 4.5824 5.3092 5.3092 5.3923 5.3923 5.4663 5.4663 5.6497 5.6497 5.9886 5.9886 6.0626 6.0626 6.1310 6.1310 6.4981 6.4981 6.8225 6.8225 7.6441 7.6441 7.7148 7.7148 9.1863 9.1863 9.8457 9.8457 11.1856 11.1856 11.6261 11.6261 11.7099 11.7099 11.7271 11.7271 k = 0.4516 0.2584 0.0000 ( 3140 PWs) bands (ev): -31.5429 -31.5429 -12.8264 -12.8264 -12.4580 -12.4580 -12.4425 -12.4425 -0.9317 -0.9317 -0.4054 -0.4054 4.5865 4.5865 5.3107 5.3107 5.3946 5.3946 5.4664 5.4664 5.6486 5.6486 5.9867 5.9867 6.0603 6.0603 6.1282 6.1282 6.4980 6.4980 6.8225 6.8225 7.6390 7.6390 7.7102 7.7102 9.3081 9.3081 9.8427 9.8427 11.1766 11.1766 11.5619 11.5619 11.6783 11.6783 11.7433 11.7433 k = 0.4677 0.2676 0.0000 ( 3148 PWs) bands (ev): -31.5429 -31.5429 -12.8265 -12.8265 -12.4581 -12.4581 -12.4425 -12.4425 -0.8716 -0.8716 -0.4752 -0.4752 4.5893 4.5893 5.3119 5.3119 5.3963 5.3963 5.4664 5.4664 5.6478 5.6478 5.9851 5.9851 6.0586 6.0586 6.1263 6.1263 6.4979 6.4979 6.8226 6.8226 7.6353 7.6353 7.7068 7.7068 9.4062 9.4062 9.8406 9.8406 11.1709 11.1709 11.4497 11.4497 11.6985 11.6985 11.7676 11.7676 k = 0.4839 0.2768 0.0000 ( 3148 PWs) bands (ev): -31.5429 -31.5429 -12.8265 -12.8265 -12.4581 -12.4581 -12.4425 -12.4425 -0.8221 -0.8221 -0.5306 -0.5306 4.5909 4.5909 5.3126 5.3126 5.3973 5.3973 5.4664 5.4664 5.6473 5.6473 5.9842 5.9842 6.0576 6.0576 6.1252 6.1252 6.4979 6.4979 6.8226 6.8226 7.6331 7.6331 7.7049 7.7049 9.4710 9.4710 9.8393 9.8393 11.1683 11.1683 11.3738 11.3738 11.7127 11.7127 11.7824 11.7824 k = 0.5000 0.2860 0.0000 ( 3156 PWs) bands (ev): -31.5429 -31.5429 -12.8265 -12.8265 -12.4581 -12.4581 -12.4425 -12.4425 -0.8007 -0.8007 -0.5539 -0.5539 4.5914 4.5914 5.3128 5.3128 5.3977 5.3977 5.4663 5.4663 5.6472 5.6472 5.9839 5.9839 6.0572 6.0572 6.1248 6.1248 6.4978 6.4978 6.8226 6.8226 7.6324 7.6324 7.7042 7.7042 9.4938 9.4938 9.8389 9.8389 11.1678 11.1678 11.3468 11.3468 11.7175 11.7175 11.7874 11.7874 k = 0.5000 0.2860 0.0000 ( 3156 PWs) bands (ev): -31.5429 -31.5429 -12.8265 -12.8265 -12.4581 -12.4581 -12.4425 -12.4425 -0.8007 -0.8007 -0.5539 -0.5539 4.5914 4.5914 5.3128 5.3128 5.3977 5.3977 5.4663 5.4663 5.6472 5.6472 5.9839 5.9839 6.0572 6.0572 6.1248 6.1248 6.4978 6.4978 6.8226 6.8226 7.6324 7.6324 7.7042 7.7042 9.4938 9.4938 9.8389 9.8389 11.1678 11.1678 11.3468 11.3468 11.7175 11.7175 11.7874 11.7874 k = 0.4935 0.2975 0.0132 ( 3148 PWs) bands (ev): -31.5429 -31.5429 -12.8265 -12.8265 -12.4581 -12.4581 -12.4425 -12.4425 -0.8000 -0.8000 -0.5527 -0.5527 4.5918 4.5918 5.3127 5.3127 5.3975 5.3975 5.4670 5.4670 5.6475 5.6475 5.9828 5.9828 6.0553 6.0553 6.1261 6.1261 6.4974 6.4974 6.8206 6.8206 7.6275 7.6275 7.7007 7.7007 9.4941 9.4941 9.8472 9.8472 11.1743 11.1743 11.3333 11.3333 11.7221 11.7221 11.7912 11.7912 k = 0.4869 0.3089 0.0263 ( 3152 PWs) bands (ev): -31.5428 -31.5428 -12.8266 -12.8266 -12.4581 -12.4581 -12.4427 -12.4427 -0.7980 -0.7980 -0.5491 -0.5491 4.5931 4.5931 5.3124 5.3124 5.3968 5.3968 5.4686 5.4686 5.6483 5.6483 5.9794 5.9794 6.0498 6.0498 6.1296 6.1296 6.4961 6.4961 6.8144 6.8144 7.6068 7.6068 7.6968 7.6968 9.4951 9.4951 9.8713 9.8713 11.1937 11.1937 11.2953 11.2953 11.7325 11.7325 11.8033 11.8033 k = 0.4804 0.3203 0.0395 ( 3144 PWs) bands (ev): -31.5428 -31.5428 -12.8267 -12.8267 -12.4582 -12.4582 -12.4429 -12.4429 -0.7946 -0.7946 -0.5433 -0.5433 4.5950 4.5950 5.3120 5.3120 5.3960 5.3960 5.4712 5.4712 5.6497 5.6497 5.9735 5.9735 6.0418 6.0418 6.1343 6.1343 6.4940 6.4940 6.8048 6.8048 7.5632 7.5632 7.7018 7.7018 9.4966 9.4966 9.9089 9.9089 11.2261 11.2261 11.2386 11.2386 11.7437 11.7437 11.8239 11.8239 k = 0.4739 0.3317 0.0526 ( 3146 PWs) bands (ev): -31.5428 -31.5428 -12.8268 -12.8268 -12.4582 -12.4582 -12.4432 -12.4432 -0.7899 -0.7899 -0.5350 -0.5350 4.5975 4.5975 5.3113 5.3113 5.3948 5.3948 5.4748 5.4748 5.6516 5.6516 5.9647 5.9647 6.0322 6.0322 6.1395 6.1395 6.4909 6.4909 6.7918 6.7918 7.4999 7.4999 7.7153 7.7153 9.4982 9.4982 9.9568 9.9568 11.1678 11.1678 11.2715 11.2715 11.7537 11.7537 11.8509 11.8509 k = 0.4673 0.3431 0.0658 ( 3150 PWs) bands (ev): -31.5428 -31.5428 -12.8271 -12.8271 -12.4583 -12.4583 -12.4436 -12.4436 -0.7838 -0.7838 -0.5244 -0.5244 4.6007 4.6007 5.3104 5.3104 5.3935 5.3935 5.4792 5.4792 5.6539 5.6539 5.9527 5.9527 6.0219 6.0219 6.1447 6.1447 6.4870 6.4870 6.7759 6.7759 7.4225 7.4225 7.7347 7.7347 9.4999 9.4999 10.0115 10.0115 11.0864 11.0864 11.3299 11.3299 11.7632 11.7632 11.8814 11.8814 k = 0.4608 0.3546 0.0790 ( 3150 PWs) bands (ev): -31.5427 -31.5427 -12.8273 -12.8273 -12.4584 -12.4584 -12.4441 -12.4441 -0.7766 -0.7766 -0.5115 -0.5115 4.6043 4.6043 5.3093 5.3093 5.3921 5.3921 5.4845 5.4845 5.6565 5.6565 5.9371 5.9371 6.0114 6.0114 6.1495 6.1495 6.4822 6.4822 6.7576 6.7576 7.3357 7.3357 7.7585 7.7585 9.5012 9.5012 10.0700 10.0700 10.9967 10.9967 11.4006 11.4006 11.7729 11.7729 11.9137 11.9137 k = 0.4543 0.3660 0.0921 ( 3150 PWs) bands (ev): -31.5427 -31.5427 -12.8276 -12.8276 -12.4586 -12.4586 -12.4446 -12.4446 -0.7682 -0.7682 -0.4963 -0.4963 4.6083 4.6083 5.3079 5.3079 5.3908 5.3908 5.4906 5.4906 5.6594 5.6594 5.9177 5.9177 6.0008 6.0008 6.1539 6.1539 6.4766 6.4766 6.7374 6.7374 7.2431 7.2431 7.7857 7.7857 9.5020 9.5020 10.1296 10.1296 10.9003 10.9003 11.4827 11.4827 11.7832 11.7832 11.9467 11.9467 k = 0.4477 0.3774 0.1053 ( 3148 PWs) bands (ev): -31.5426 -31.5426 -12.8279 -12.8279 -12.4588 -12.4588 -12.4451 -12.4451 -0.7586 -0.7586 -0.4787 -0.4787 4.6125 4.6125 5.3063 5.3063 5.3897 5.3897 5.4974 5.4974 5.6622 5.6622 5.8944 5.8944 5.9901 5.9901 6.1577 6.1577 6.4700 6.4700 6.7158 6.7158 7.1479 7.1479 7.8157 7.8157 9.5019 9.5019 10.1888 10.1888 10.7985 10.7985 11.5747 11.5747 11.7945 11.7945 11.9804 11.9804 k = 0.4412 0.3888 0.1184 ( 3142 PWs) bands (ev): -31.5425 -31.5425 -12.8283 -12.8283 -12.4591 -12.4591 -12.4456 -12.4456 -0.7480 -0.7480 -0.4589 -0.4589 4.6166 4.6166 5.3044 5.3044 5.3888 5.3888 5.5047 5.5047 5.6648 5.6648 5.8674 5.8674 5.9792 5.9792 6.1608 6.1608 6.4627 6.4627 6.6931 6.6931 7.0529 7.0529 7.8478 7.8478 9.5004 9.5004 10.2466 10.2466 10.6923 10.6923 11.6742 11.6742 11.8068 11.8068 12.0147 12.0147 k = 0.4347 0.4003 0.1316 ( 3144 PWs) bands (ev): -31.5424 -31.5424 -12.8287 -12.8287 -12.4596 -12.4596 -12.4461 -12.4461 -0.7365 -0.7365 -0.4368 -0.4368 4.6205 4.6205 5.3023 5.3023 5.3883 5.3883 5.5125 5.5125 5.6666 5.6666 5.8369 5.8369 5.9682 5.9682 6.1631 6.1631 6.4542 6.4542 6.6698 6.6698 6.9602 6.9602 7.8816 7.8816 9.4970 9.4970 10.3026 10.3026 10.5827 10.5827 11.7784 11.7784 11.8202 11.8202 12.0498 12.0498 k = 0.4281 0.4117 0.1447 ( 3140 PWs) bands (ev): -31.5424 -31.5424 -12.8291 -12.8291 -12.4601 -12.4601 -12.4465 -12.4465 -0.7241 -0.7241 -0.4125 -0.4125 4.6238 4.6238 5.2999 5.2999 5.3882 5.3882 5.5204 5.5204 5.6666 5.6666 5.8039 5.8039 5.9568 5.9568 6.1646 6.1646 6.4447 6.4447 6.6461 6.6461 6.8721 6.8721 7.9168 7.9168 9.4914 9.4914 10.3567 10.3567 10.4705 10.4705 11.8344 11.8344 11.8831 11.8831 12.0859 12.0859 k = 0.4216 0.4231 0.1579 ( 3136 PWs) bands (ev): -31.5423 -31.5423 -12.8296 -12.8296 -12.4607 -12.4607 -12.4469 -12.4469 -0.7109 -0.7109 -0.3860 -0.3860 4.6259 4.6259 5.2972 5.2972 5.3886 5.3886 5.5281 5.5281 5.6627 5.6627 5.7712 5.7712 5.9452 5.9452 6.1654 6.1654 6.4341 6.4341 6.6222 6.6222 6.7900 6.7900 7.9530 7.9530 9.4828 9.4828 10.3556 10.3556 10.4103 10.4103 11.8496 11.8496 11.9820 11.9820 12.1233 12.1233 k = 0.4151 0.4345 0.1711 ( 3136 PWs) bands (ev): -31.5422 -31.5422 -12.8301 -12.8301 -12.4615 -12.4615 -12.4472 -12.4472 -0.6972 -0.6972 -0.3573 -0.3573 4.6265 4.6265 5.2943 5.2943 5.3893 5.3893 5.5345 5.5345 5.6508 5.6508 5.7440 5.7440 5.9334 5.9334 6.1654 6.1654 6.4224 6.4224 6.5984 6.5984 6.7151 6.7151 7.9899 7.9899 9.4708 9.4708 10.2402 10.2402 10.4618 10.4618 11.8655 11.8655 12.0645 12.0645 12.1620 12.1620 k = 0.4085 0.4459 0.1842 ( 3132 PWs) bands (ev): -31.5421 -31.5421 -12.8306 -12.8306 -12.4623 -12.4623 -12.4474 -12.4474 -0.6830 -0.6830 -0.3265 -0.3265 4.6250 4.6250 5.2911 5.2911 5.3903 5.3903 5.5367 5.5367 5.6290 5.6290 5.7278 5.7278 5.9216 5.9216 6.1646 6.1646 6.4094 6.4094 6.5748 6.5748 6.6484 6.6484 8.0273 8.0273 9.4547 9.4547 10.1237 10.1237 10.5131 10.5131 11.8819 11.8819 12.1150 12.1150 12.2021 12.2021 k = 0.4020 0.4574 0.1974 ( 3132 PWs) bands (ev): -31.5420 -31.5420 -12.8312 -12.8312 -12.4633 -12.4633 -12.4475 -12.4475 -0.6685 -0.6685 -0.2935 -0.2935 4.6204 4.6204 5.2878 5.2878 5.3912 5.3912 5.5270 5.5270 5.6081 5.6081 5.7209 5.7209 5.9098 5.9098 6.1630 6.1630 6.3953 6.3953 6.5514 6.5514 6.5900 6.5900 8.0649 8.0649 9.4340 9.4340 10.0068 10.0068 10.5643 10.5643 11.8987 11.8987 12.1239 12.1239 12.2434 12.2434 k = 0.3955 0.4688 0.2105 ( 3134 PWs) bands (ev): -31.5419 -31.5419 -12.8318 -12.8318 -12.4644 -12.4644 -12.4476 -12.4476 -0.6539 -0.6539 -0.2585 -0.2585 4.6118 4.6118 5.2843 5.2843 5.3913 5.3913 5.4991 5.4991 5.6016 5.6016 5.7184 5.7184 5.8984 5.8984 6.1607 6.1607 6.3796 6.3796 6.5281 6.5281 6.5402 6.5402 8.1026 8.1026 9.4082 9.4082 9.8899 9.8899 10.6158 10.6158 11.9153 11.9153 12.1028 12.1028 12.2864 12.2864 k = 0.3889 0.4802 0.2237 ( 3138 PWs) bands (ev): -31.5418 -31.5418 -12.8324 -12.8324 -12.4656 -12.4656 -12.4476 -12.4476 -0.6393 -0.6393 -0.2215 -0.2215 4.5983 4.5983 5.2808 5.2808 5.3878 5.3878 5.4642 5.4642 5.6056 5.6056 5.7175 5.7175 5.8877 5.8877 6.1576 6.1576 6.3624 6.3624 6.4961 6.4961 6.5072 6.5072 8.1402 8.1402 9.3770 9.3770 9.7735 9.7735 10.6681 10.6681 11.9314 11.9314 12.0700 12.0700 12.3313 12.3313 k = 0.3824 0.4916 0.2369 ( 3134 PWs) bands (ev): -31.5417 -31.5417 -12.8331 -12.8331 -12.4669 -12.4669 -12.4475 -12.4475 -0.6249 -0.6249 -0.1825 -0.1825 4.5790 4.5790 5.2772 5.2772 5.3737 5.3737 5.4390 5.4390 5.6136 5.6136 5.7168 5.7168 5.8780 5.8780 6.1540 6.1540 6.3441 6.3441 6.4607 6.4607 6.4850 6.4850 8.1775 8.1775 9.3402 9.3402 9.6578 9.6578 10.7213 10.7213 11.9462 11.9462 12.0367 12.0367 12.3779 12.3779 k = 0.3759 0.5031 0.2500 ( 3134 PWs) bands (ev): -31.5416 -31.5416 -12.8337 -12.8337 -12.4681 -12.4681 -12.4474 -12.4474 -0.6109 -0.6109 -0.1416 -0.1416 4.5531 4.5531 5.2736 5.2736 5.3466 5.3466 5.4306 5.4306 5.6229 5.6229 5.7158 5.7158 5.8696 5.8696 6.1497 6.1497 6.3248 6.3248 6.4306 6.4306 6.4636 6.4636 8.2145 8.2145 9.2975 9.2975 9.5433 9.5433 10.7758 10.7758 11.9586 11.9586 12.0083 12.0083 12.4261 12.4261 k = 0.3693 0.5145 0.2632 ( 3130 PWs) bands (ev): -31.5415 -31.5415 -12.8344 -12.8344 -12.4694 -12.4694 -12.4473 -12.4473 -0.5976 -0.5976 -0.0988 -0.0988 4.5202 4.5202 5.2699 5.2699 5.3170 5.3170 5.4312 5.4312 5.6320 5.6320 5.7145 5.7145 5.8629 5.8629 6.1450 6.1450 6.3051 6.3051 6.4048 6.4048 6.4428 6.4428 8.2511 8.2511 9.2490 9.2490 9.4305 9.4305 10.8318 10.8318 11.9665 11.9665 11.9880 11.9880 12.4756 12.4756 k = 0.3628 0.5259 0.2763 ( 3134 PWs) bands (ev): -31.5414 -31.5414 -12.8350 -12.8350 -12.4708 -12.4708 -12.4471 -12.4471 -0.5851 -0.5851 -0.0542 -0.0542 4.4807 4.4807 5.2655 5.2655 5.2921 5.2921 5.4353 5.4353 5.6396 5.6396 5.7135 5.7135 5.8580 5.8580 6.1399 6.1399 6.2855 6.2855 6.3823 6.3823 6.4225 6.4225 8.2872 8.2872 9.1944 9.1944 9.3200 9.3200 10.8895 10.8895 11.9646 11.9646 11.9806 11.9806 12.5256 12.5256 k = 0.3562 0.5373 0.2895 ( 3138 PWs) bands (ev): -31.5413 -31.5413 -12.8357 -12.8357 -12.4721 -12.4721 -12.4469 -12.4469 -0.5738 -0.5738 -0.0080 -0.0080 4.4354 4.4354 5.2588 5.2588 5.2757 5.2757 5.4411 5.4411 5.6441 5.6441 5.7142 5.7142 5.8549 5.8549 6.1344 6.1344 6.2663 6.2663 6.3621 6.3621 6.4027 6.4027 8.3227 8.3227 9.1325 9.1325 9.2139 9.2139 10.9490 10.9490 11.9582 11.9582 11.9787 11.9787 12.5740 12.5740 k = 0.3497 0.5487 0.3027 ( 3134 PWs) bands (ev): -31.5412 -31.5412 -12.8364 -12.8364 -12.4734 -12.4734 -12.4466 -12.4466 -0.5637 -0.5637 0.0399 0.0399 4.3857 4.3857 5.2494 5.2494 5.2684 5.2684 5.4480 5.4480 5.6439 5.6439 5.7183 5.7183 5.8536 5.8536 6.1289 6.1289 6.2477 6.2477 6.3436 6.3436 6.3835 6.3835 8.3576 8.3576 9.0586 9.0586 9.1175 9.1175 11.0104 11.0104 11.9502 11.9502 11.9772 11.9772 12.6135 12.6135 k = 0.3432 0.5602 0.3158 ( 3148 PWs) bands (ev): -31.5411 -31.5411 -12.8371 -12.8371 -12.4748 -12.4748 -12.4464 -12.4464 -0.5553 -0.5553 0.0894 0.0894 4.3330 4.3330 5.2416 5.2416 5.2651 5.2651 5.4557 5.4557 5.6387 5.6387 5.7259 5.7259 5.8535 5.8535 6.1231 6.1231 6.2296 6.2296 6.3262 6.3262 6.3648 6.3648 8.3919 8.3919 8.9680 8.9680 9.0364 9.0364 11.0737 11.0737 11.9302 11.9302 11.9836 11.9836 12.6228 12.6228 k = 0.3366 0.5716 0.3290 ( 3148 PWs) bands (ev): -31.5410 -31.5410 -12.8377 -12.8377 -12.4760 -12.4760 -12.4462 -12.4462 -0.5487 -0.5487 0.1403 0.1403 4.2791 4.2791 5.2370 5.2370 5.2635 5.2635 5.4643 5.4643 5.6298 5.6298 5.7364 5.7364 5.8546 5.8546 6.1172 6.1172 6.2124 6.2124 6.3097 6.3097 6.3469 6.3469 8.4255 8.4255 8.8686 8.8686 8.9635 8.9635 11.1391 11.1391 11.8946 11.8946 11.9992 11.9992 12.5931 12.5931 k = 0.3301 0.5830 0.3421 ( 3148 PWs) bands (ev): -31.5409 -31.5409 -12.8383 -12.8383 -12.4772 -12.4772 -12.4460 -12.4460 -0.5441 -0.5441 0.1926 0.1926 4.2252 4.2252 5.2354 5.2354 5.2630 5.2630 5.4734 5.4734 5.6184 5.6184 5.7487 5.7487 5.8565 5.8565 6.1113 6.1113 6.1960 6.1960 6.2939 6.2939 6.3298 6.3298 8.4585 8.4585 8.7678 8.7678 8.8925 8.8925 11.2064 11.2064 11.8444 11.8444 12.0221 12.0221 12.5474 12.5474 k = 0.3236 0.5944 0.3553 ( 3136 PWs) bands (ev): -31.5408 -31.5408 -12.8389 -12.8389 -12.4782 -12.4782 -12.4457 -12.4457 -0.5418 -0.5418 0.2462 0.2462 4.1727 4.1727 5.2357 5.2357 5.2635 5.2635 5.4832 5.4832 5.6055 5.6055 5.7622 5.7622 5.8588 5.8588 6.1054 6.1054 6.1804 6.1804 6.2785 6.2785 6.3139 6.3139 8.4907 8.4907 8.6681 8.6681 8.8217 8.8217 11.2756 11.2756 11.7812 11.7812 12.0511 12.0511 12.4985 12.4985 k = 0.3170 0.6058 0.3684 ( 3130 PWs) bands (ev): -31.5407 -31.5407 -12.8394 -12.8394 -12.4792 -12.4792 -12.4454 -12.4454 -0.5420 -0.5420 0.3009 0.3009 4.1226 4.1226 5.2372 5.2372 5.2652 5.2652 5.4934 5.4934 5.5917 5.5917 5.7761 5.7761 5.8613 5.8613 6.0993 6.0993 6.1658 6.1658 6.2632 6.2632 6.2996 6.2996 8.5201 8.5201 8.5724 8.5724 8.7510 8.7510 11.3464 11.3464 11.7072 11.7072 12.0854 12.0854 12.4498 12.4498 k = 0.3105 0.6173 0.3816 ( 3126 PWs) bands (ev): -31.5406 -31.5406 -12.8399 -12.8399 -12.4802 -12.4802 -12.4452 -12.4452 -0.5449 -0.5449 0.3566 0.3566 4.0759 4.0759 5.2391 5.2391 5.2681 5.2681 5.5039 5.5039 5.5775 5.5775 5.7904 5.7904 5.8637 5.8637 6.0930 6.0930 6.1524 6.1524 6.2477 6.2477 6.2870 6.2870 8.4699 8.4699 8.5577 8.5577 8.6810 8.6810 11.4180 11.4180 11.6257 11.6257 12.1242 12.1242 12.4027 12.4027 k = 0.3040 0.6287 0.3948 ( 3126 PWs) bands (ev): -31.5406 -31.5406 -12.8404 -12.8404 -12.4811 -12.4811 -12.4450 -12.4450 -0.5506 -0.5506 0.4132 0.4132 4.0331 4.0331 5.2409 5.2409 5.2720 5.2720 5.5142 5.5142 5.5637 5.5637 5.8045 5.8045 5.8659 5.8659 6.0866 6.0866 6.1404 6.1404 6.2322 6.2322 6.2764 6.2764 8.3767 8.3767 8.5873 8.5873 8.6124 8.6124 11.4816 11.4816 11.5475 11.5475 12.1668 12.1668 12.3576 12.3576 k = 0.2974 0.6401 0.4079 ( 3126 PWs) bands (ev): -31.5405 -31.5405 -12.8408 -12.8408 -12.4819 -12.4819 -12.4448 -12.4448 -0.5593 -0.5593 0.4706 0.4706 3.9948 3.9948 5.2422 5.2422 5.2770 5.2770 5.5226 5.5226 5.5522 5.5522 5.8179 5.8179 5.8679 5.8679 6.0800 6.0800 6.1301 6.1301 6.2165 6.2165 6.2678 6.2678 8.2848 8.2848 8.5443 8.5443 8.6187 8.6187 11.4323 11.4323 11.5789 11.5789 12.2122 12.2122 12.3151 12.3151 k = 0.2909 0.6515 0.4211 ( 3124 PWs) bands (ev): -31.5404 -31.5404 -12.8412 -12.8412 -12.4825 -12.4825 -12.4446 -12.4446 -0.5711 -0.5711 0.5286 0.5286 3.9615 3.9615 5.2428 5.2428 5.2829 5.2829 5.5220 5.5220 5.5501 5.5501 5.8300 5.8300 5.8703 5.8703 6.0732 6.0732 6.1217 6.1217 6.2011 6.2011 6.2613 6.2613 8.1949 8.1949 8.4789 8.4789 8.6492 8.6492 11.3376 11.3376 11.6540 11.6540 12.2577 12.2577 12.2774 12.2774 k = 0.2909 0.6515 0.4211 ( 3124 PWs) bands (ev): -31.5404 -31.5404 -12.8412 -12.8412 -12.4825 -12.4825 -12.4446 -12.4446 -0.5711 -0.5711 0.5286 0.5286 3.9615 3.9615 5.2428 5.2428 5.2829 5.2829 5.5220 5.5220 5.5501 5.5501 5.8300 5.8300 5.8703 5.8703 6.0732 6.0732 6.1217 6.1217 6.2011 6.2011 6.2613 6.2613 8.1949 8.1949 8.4789 8.4789 8.6492 8.6492 11.3376 11.3376 11.6540 11.6540 12.2577 12.2577 12.2774 12.2774 k = 0.2738 0.6473 0.4259 ( 3119 PWs) bands (ev): -31.5404 -31.5404 -12.8413 -12.8413 -12.4828 -12.4828 -12.4445 -12.4445 -0.5773 -0.5773 0.5515 0.5515 3.9525 3.9525 5.2306 5.2306 5.2956 5.2956 5.5166 5.5166 5.5549 5.5549 5.8337 5.8337 5.8714 5.8714 6.0707 6.0707 6.1194 6.1194 6.1956 6.1956 6.2597 6.2597 8.1256 8.1256 8.4950 8.4950 8.6609 8.6609 11.3002 11.3002 11.6768 11.6768 12.2346 12.2346 12.2924 12.2924 k = 0.2567 0.6431 0.4308 ( 3117 PWs) bands (ev): -31.5404 -31.5404 -12.8414 -12.8414 -12.4830 -12.4830 -12.4444 -12.4444 -0.5856 -0.5856 0.5766 0.5766 3.9483 3.9483 5.2070 5.2070 5.3162 5.3162 5.5083 5.5083 5.5628 5.5628 5.8361 5.8361 5.8729 5.8729 6.0680 6.0680 6.1180 6.1180 6.1901 6.1901 6.2588 6.2588 8.0172 8.0172 8.5567 8.5567 8.6733 8.6733 11.2610 11.2610 11.6860 11.6860 12.1994 12.1994 12.3023 12.3023 k = 0.2396 0.6389 0.4356 ( 3117 PWs) bands (ev): -31.5404 -31.5404 -12.8415 -12.8415 -12.4832 -12.4832 -12.4443 -12.4443 -0.5954 -0.5954 0.6033 0.6033 3.9491 3.9491 5.1787 5.1787 5.3376 5.3376 5.4993 5.4993 5.5717 5.5717 5.8370 5.8370 5.8753 5.8753 6.0650 6.0650 6.1173 6.1173 6.1847 6.1847 6.2589 6.2589 7.8999 7.8999 8.6340 8.6340 8.6865 8.6865 11.2210 11.2210 11.6770 11.6770 12.1685 12.1685 12.3028 12.3028 k = 0.2225 0.6347 0.4405 ( 3119 PWs) bands (ev): -31.5404 -31.5404 -12.8416 -12.8416 -12.4834 -12.4834 -12.4443 -12.4443 -0.6063 -0.6063 0.6307 0.6307 3.9550 3.9550 5.1470 5.1470 5.3583 5.3583 5.4903 5.4903 5.5809 5.5809 5.8361 5.8361 5.8786 5.8786 6.0617 6.0617 6.1174 6.1174 6.1795 6.1795 6.2598 6.2598 7.7833 7.7833 8.6976 8.6976 8.7206 8.7206 11.1811 11.1811 11.6459 11.6459 12.1489 12.1489 12.2986 12.2986 k = 0.2053 0.6305 0.4453 ( 3120 PWs) bands (ev): -31.5404 -31.5404 -12.8417 -12.8417 -12.4835 -12.4835 -12.4442 -12.4442 -0.6178 -0.6178 0.6582 0.6582 3.9660 3.9660 5.1121 5.1121 5.3780 5.3780 5.4817 5.4817 5.5902 5.5902 5.8335 5.8335 5.8829 5.8829 6.0580 6.0580 6.1181 6.1181 6.1744 6.1744 6.2618 6.2618 7.6707 7.6707 8.7121 8.7121 8.8075 8.8075 11.1419 11.1419 11.5923 11.5923 12.1436 12.1436 12.2930 12.2930 k = 0.1882 0.6263 0.4502 ( 3121 PWs) bands (ev): -31.5403 -31.5403 -12.8418 -12.8418 -12.4837 -12.4837 -12.4441 -12.4441 -0.6294 -0.6294 0.6853 0.6853 3.9821 3.9821 5.0738 5.0738 5.3966 5.3966 5.4736 5.4736 5.5995 5.5995 5.8295 5.8295 5.8879 5.8879 6.0540 6.0540 6.1192 6.1192 6.1696 6.1696 6.2650 6.2650 7.5637 7.5637 8.7256 8.7256 8.8976 8.8976 11.1040 11.1040 11.5201 11.5201 12.1502 12.1502 12.2885 12.2885 k = 0.1711 0.6221 0.4550 ( 3121 PWs) bands (ev): -31.5403 -31.5403 -12.8419 -12.8419 -12.4838 -12.4838 -12.4441 -12.4441 -0.6409 -0.6409 0.7113 0.7113 4.0032 4.0032 5.0324 5.0324 5.4138 5.4138 5.4662 5.4662 5.6087 5.6087 5.8244 5.8244 5.8934 5.8934 6.0497 6.0497 6.1205 6.1205 6.1650 6.1650 6.2693 6.2693 7.4634 7.4634 8.7387 8.7387 8.9893 8.9893 11.0679 11.0679 11.4352 11.4352 12.1636 12.1636 12.2872 12.2872 k = 0.1540 0.6179 0.4598 ( 3117 PWs) bands (ev): -31.5403 -31.5403 -12.8419 -12.8419 -12.4839 -12.4839 -12.4440 -12.4440 -0.6520 -0.6520 0.7358 0.7358 4.0294 4.0294 4.9877 4.9877 5.4295 5.4295 5.4596 5.4596 5.6178 5.6178 5.8185 5.8185 5.8991 5.8991 6.0453 6.0453 6.1220 6.1220 6.1608 6.1608 6.2748 6.2748 7.3703 7.3703 8.7515 8.7515 9.0817 9.0817 11.0338 11.0338 11.3425 11.3425 12.1779 12.1779 12.2919 12.2919 k = 0.1369 0.6137 0.4647 ( 3121 PWs) bands (ev): -31.5403 -31.5403 -12.8420 -12.8420 -12.4841 -12.4841 -12.4440 -12.4440 -0.6624 -0.6624 0.7586 0.7586 4.0602 4.0602 4.9401 4.9401 5.4424 5.4424 5.4550 5.4550 5.6269 5.6269 5.8118 5.8118 5.9049 5.9049 6.0407 6.0407 6.1233 6.1233 6.1568 6.1568 6.2813 6.2813 7.2850 7.2850 8.7636 8.7636 9.1740 9.1740 11.0022 11.0022 11.2458 11.2458 12.1882 12.1882 12.3047 12.3047 k = 0.1198 0.6095 0.4695 ( 3125 PWs) bands (ev): -31.5403 -31.5403 -12.8421 -12.8421 -12.4842 -12.4842 -12.4440 -12.4440 -0.6720 -0.6720 0.7793 0.7793 4.0956 4.0956 4.8897 4.8897 5.4446 5.4446 5.4602 5.4602 5.6358 5.6358 5.8046 5.8046 5.9107 5.9107 6.0361 6.0361 6.1245 6.1245 6.1532 6.1532 6.2886 6.2886 7.2081 7.2081 8.7749 8.7749 9.2654 9.2654 10.9730 10.9730 11.1483 11.1483 12.1931 12.1931 12.3253 12.3253 k = 0.1027 0.6053 0.4744 ( 3131 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4843 -12.4843 -12.4439 -12.4439 -0.6805 -0.6805 0.7976 0.7976 4.1350 4.1350 4.8371 4.8371 5.4407 5.4407 5.4708 5.4708 5.6445 5.6445 5.7972 5.7972 5.9162 5.9162 6.0316 6.0316 6.1256 6.1256 6.1500 6.1500 6.2966 6.2966 7.1398 7.1398 8.7851 8.7851 9.3547 9.3547 10.9459 10.9459 11.0533 11.0533 12.1940 12.1940 12.3506 12.3506 k = 0.0856 0.6011 0.4792 ( 3123 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4843 -12.4843 -12.4439 -12.4439 -0.6880 -0.6880 0.8134 0.8134 4.1780 4.1780 4.7828 4.7828 5.4369 5.4369 5.4804 5.4804 5.6529 5.6529 5.7897 5.7897 5.9215 5.9215 6.0273 6.0273 6.1265 6.1265 6.1473 6.1473 6.3048 6.3048 7.0807 7.0807 8.7942 8.7942 9.4404 9.4404 10.9163 10.9163 10.9680 10.9680 12.1928 12.1928 12.3771 12.3771 k = 0.0684 0.5969 0.4841 ( 3119 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4844 -12.4844 -12.4438 -12.4438 -0.6942 -0.6942 0.8265 0.8265 4.2236 4.2236 4.7277 4.7277 5.4335 5.4335 5.4885 5.4885 5.6608 5.6608 5.7825 5.7825 5.9264 5.9264 6.0233 6.0233 6.1272 6.1272 6.1450 6.1450 6.3128 6.3128 7.0312 7.0312 8.8019 8.8019 9.5201 9.5201 10.8594 10.8594 10.9204 10.9204 12.1909 12.1909 12.4022 12.4022 k = 0.0513 0.5926 0.4889 ( 3117 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4844 -12.4844 -12.4438 -12.4438 -0.6991 -0.6991 0.8368 0.8368 4.2705 4.2705 4.6733 4.6733 5.4309 5.4309 5.4949 5.4949 5.6679 5.6679 5.7758 5.7758 5.9305 5.9305 6.0198 6.0198 6.1278 6.1278 6.1431 6.1431 6.3199 6.3199 6.9919 6.9919 8.8080 8.8080 9.5906 9.5906 10.7883 10.7883 10.9010 10.9010 12.1889 12.1889 12.4203 12.4221 k = 0.0342 0.5884 0.4938 ( 3125 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4845 -12.4845 -12.4438 -12.4438 -0.7026 -0.7026 0.8442 0.8442 4.3160 4.3160 4.6223 4.6223 5.4290 5.4290 5.4995 5.4995 5.6736 5.6736 5.7703 5.7703 5.9336 5.9336 6.0171 6.0171 6.1282 6.1282 6.1417 6.1417 6.3256 6.3256 6.9632 6.9632 8.8125 8.8125 9.6473 9.6473 10.7289 10.7289 10.8893 10.8893 12.1872 12.1872 12.4103 12.4103 k = 0.0171 0.5842 0.4986 ( 3126 PWs) bands (ev): -31.5403 -31.5403 -12.8423 -12.8423 -12.4845 -12.4845 -12.4438 -12.4438 -0.7048 -0.7048 0.8486 0.8486 4.3539 4.3539 4.5811 4.5811 5.4278 5.4278 5.5022 5.5022 5.6775 5.6775 5.7666 5.7666 5.9357 5.9357 6.0153 6.0153 6.1285 6.1285 6.1409 6.1409 6.3293 6.3293 6.9457 6.9457 8.8152 8.8152 9.6847 9.6847 10.6895 10.6895 10.8825 10.8825 12.1862 12.1862 12.4041 12.4041 k = 0.0000 0.5800 0.5035 ( 3124 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4845 -12.4845 -12.4438 -12.4438 -0.7055 -0.7055 0.8501 0.8501 4.3704 4.3704 4.5636 4.5636 5.4274 5.4274 5.5032 5.5032 5.6789 5.6789 5.7653 5.7653 5.9364 5.9364 6.0147 6.0147 6.1286 6.1286 6.1406 6.1406 6.3305 6.3305 6.9399 6.9399 8.8161 8.8161 9.6979 9.6979 10.6756 10.6756 10.8803 10.8803 12.1858 12.1858 12.4020 12.4020 k = 0.0000 0.5800 0.5035 ( 3124 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4845 -12.4845 -12.4438 -12.4438 -0.7055 -0.7055 0.8501 0.8501 4.3704 4.3704 4.5636 4.5636 5.4274 5.4274 5.5032 5.5032 5.6789 5.6789 5.7653 5.7653 5.9364 5.9364 6.0147 6.0147 6.1286 6.1286 6.1406 6.1406 6.3305 6.3305 6.9399 6.9399 8.8161 8.8161 9.6979 9.6979 10.6756 10.6756 10.8803 10.8803 12.1858 12.1858 12.4020 12.4020 k = 0.0066 0.5685 0.5167 ( 3112 PWs) bands (ev): -31.5403 -31.5403 -12.8422 -12.8422 -12.4844 -12.4844 -12.4438 -12.4438 -0.7049 -0.7049 0.8512 0.8512 4.3705 4.3705 4.5633 4.5633 5.4246 5.4246 5.5061 5.5061 5.6796 5.6796 5.7657 5.7657 5.9356 5.9356 6.0144 6.0144 6.1286 6.1286 6.1423 6.1423 6.3304 6.3304 6.9401 6.9401 8.8103 8.8103 9.6945 9.6945 10.6734 10.6734 10.8579 10.8579 12.2123 12.2123 12.3948 12.3948 k = 0.0132 0.5570 0.5300 ( 3112 PWs) bands (ev): -31.5402 -31.5402 -12.8423 -12.8423 -12.4844 -12.4844 -12.4440 -12.4440 -0.7034 -0.7034 0.8545 0.8545 4.3706 4.3706 4.5625 4.5625 5.4170 5.4170 5.5135 5.5135 5.6814 5.6814 5.7668 5.7668 5.9332 5.9332 6.0132 6.0132 6.1290 6.1290 6.1467 6.1467 6.3297 6.3297 6.9406 6.9406 8.7931 8.7931 9.6841 9.6841 10.6614 10.6614 10.8017 10.8017 12.2860 12.2860 12.3861 12.3861 k = 0.0197 0.5455 0.5432 ( 3114 PWs) bands (ev): -31.5402 -31.5402 -12.8423 -12.8423 -12.4844 -12.4844 -12.4442 -12.4442 -0.7008 -0.7008 0.8599 0.8599 4.3709 4.3709 4.5610 4.5610 5.4070 5.4070 5.5232 5.5232 5.6846 5.6846 5.7685 5.7685 5.9294 5.9294 6.0114 6.0114 6.1307 6.1307 6.1528 6.1528 6.3285 6.3285 6.9415 6.9415 8.7650 8.7650 9.6668 9.6668 10.6136 10.6136 10.7497 10.7497 12.3837 12.3837 12.3956 12.3956 k = 0.0263 0.5340 0.5565 ( 3112 PWs) bands (ev): -31.5402 -31.5402 -12.8424 -12.8424 -12.4843 -12.4843 -12.4446 -12.4446 -0.6972 -0.6972 0.8675 0.8675 4.3712 4.3712 4.5589 4.5589 5.3961 5.3961 5.5337 5.5337 5.6891 5.6891 5.7708 5.7708 5.9246 5.9246 6.0090 6.0090 6.1337 6.1337 6.1600 6.1600 6.3270 6.3270 6.9429 6.9429 8.7272 8.7272 9.6426 9.6426 10.5108 10.5108 10.7329 10.7329 12.3921 12.3921 12.5259 12.5259 k = 0.0329 0.5225 0.5697 ( 3110 PWs) bands (ev): -31.5402 -31.5402 -12.8425 -12.8425 -12.4843 -12.4843 -12.4450 -12.4450 -0.6926 -0.6926 0.8772 0.8772 4.3715 4.3715 4.5559 4.5559 5.3853 5.3853 5.5441 5.5441 5.6951 5.6951 5.7736 5.7736 5.9190 5.9190 6.0064 6.0064 6.1378 6.1378 6.1680 6.1680 6.3253 6.3253 6.9445 6.9445 8.6806 8.6806 9.6116 9.6116 10.3797 10.3797 10.7332 10.7332 12.4090 12.4090 12.6664 12.6664 k = 0.0395 0.5110 0.5830 ( 3106 PWs) bands (ev): -31.5401 -31.5401 -12.8426 -12.8426 -12.4842 -12.4842 -12.4456 -12.4456 -0.6871 -0.6871 0.8890 0.8890 4.3717 4.3717 4.5520 4.5520 5.3753 5.3753 5.5539 5.5539 5.7025 5.7025 5.7768 5.7768 5.9132 5.9132 6.0039 6.0039 6.1429 6.1429 6.1763 6.1763 6.3234 6.3234 6.9466 6.9466 8.6265 8.6265 9.5739 9.5739 10.2367 10.2367 10.7395 10.7395 12.4347 12.4347 12.7305 12.7305 k = 0.0461 0.4995 0.5962 ( 3106 PWs) bands (ev): -31.5401 -31.5401 -12.8428 -12.8428 -12.4841 -12.4841 -12.4462 -12.4462 -0.6805 -0.6805 0.9029 0.9029 4.3717 4.3717 4.5470 4.5470 5.3663 5.3663 5.5629 5.5629 5.7111 5.7111 5.7802 5.7802 5.9072 5.9072 6.0016 6.0016 6.1483 6.1483 6.1848 6.1848 6.3215 6.3215 6.9490 6.9490 8.5663 8.5663 9.5298 9.5298 10.0882 10.0882 10.7489 10.7489 12.4685 12.4685 12.7957 12.7957 k = 0.0526 0.4880 0.6095 ( 3108 PWs) bands (ev): -31.5400 -31.5400 -12.8430 -12.8430 -12.4840 -12.4840 -12.4469 -12.4469 -0.6731 -0.6731 0.9189 0.9189 4.3714 4.3714 4.5408 4.5408 5.3590 5.3590 5.5709 5.5709 5.7206 5.7206 5.7837 5.7837 5.9016 5.9016 6.0000 6.0000 6.1536 6.1536 6.1933 6.1933 6.3198 6.3198 6.9519 6.9519 8.5013 8.5013 9.4797 9.4797 9.9376 9.9376 10.7603 10.7603 12.5097 12.5097 12.8617 12.8617 k = 0.0592 0.4765 0.6227 ( 3108 PWs) bands (ev): -31.5399 -31.5399 -12.8432 -12.8432 -12.4839 -12.4839 -12.4477 -12.4477 -0.6648 -0.6648 0.9368 0.9368 4.3707 4.3707 4.5332 4.5332 5.3535 5.3535 5.5782 5.5782 5.7305 5.7305 5.7872 5.7872 5.8967 5.8967 5.9992 5.9992 6.1585 6.1585 6.2017 6.2017 6.3185 6.3185 6.9551 6.9551 8.4325 8.4325 9.4241 9.4241 9.7870 9.7870 10.7732 10.7732 12.5575 12.5575 12.9271 12.9271 k = 0.0658 0.4650 0.6360 ( 3110 PWs) bands (ev): -31.5399 -31.5399 -12.8434 -12.8434 -12.4839 -12.4839 -12.4485 -12.4485 -0.6556 -0.6556 0.9567 0.9567 4.3695 4.3695 4.5242 4.5242 5.3502 5.3502 5.5849 5.5849 5.7402 5.7402 5.7908 5.7908 5.8931 5.8931 5.9994 5.9994 6.1625 6.1625 6.2098 6.2098 6.3180 6.3180 6.9588 6.9588 8.3610 8.3610 9.3636 9.3636 9.6376 9.6376 10.7872 10.7872 12.6110 12.6110 12.9908 12.9908 k = 0.0724 0.4535 0.6492 ( 3112 PWs) bands (ev): -31.5398 -31.5398 -12.8436 -12.8436 -12.4838 -12.4838 -12.4494 -12.4494 -0.6456 -0.6456 0.9784 0.9784 4.3676 4.3676 4.5135 4.5135 5.3491 5.3491 5.5912 5.5912 5.7491 5.7491 5.7942 5.7942 5.8912 5.8912 6.0009 6.0009 6.1652 6.1652 6.2176 6.2176 6.3183 6.3183 6.9628 6.9628 8.2878 8.2878 9.2987 9.2987 9.4905 9.4905 10.8018 10.8018 12.6693 12.6693 13.0520 13.0520 k = 0.0789 0.4420 0.6625 ( 3112 PWs) bands (ev): -31.5397 -31.5397 -12.8439 -12.8439 -12.4837 -12.4837 -12.4503 -12.4503 -0.6349 -0.6349 1.0020 1.0020 4.3649 4.3649 4.5011 4.5011 5.3505 5.3505 5.5972 5.5972 5.7566 5.7566 5.7974 5.7974 5.8917 5.8917 6.0036 6.0036 6.1663 6.1663 6.2251 6.2251 6.3198 6.3198 6.9673 6.9673 8.2138 8.2138 9.2295 9.2295 9.3469 9.3469 10.8166 10.8166 12.7316 12.7316 13.1101 13.1101 k = 0.0855 0.4305 0.6757 ( 3116 PWs) bands (ev): -31.5396 -31.5396 -12.8442 -12.8442 -12.4837 -12.4837 -12.4512 -12.4512 -0.6235 -0.6235 1.0273 1.0273 4.3612 4.3612 4.4870 4.4870 5.3544 5.3544 5.6032 5.6032 5.7621 5.7621 5.8000 5.8000 5.8950 5.8950 6.0076 6.0076 6.1656 6.1656 6.2321 6.2321 6.3225 6.3225 6.9722 6.9722 8.1396 8.1396 9.1552 9.1552 9.2088 9.2088 10.8314 10.8314 12.7970 12.7970 13.1648 13.1648 k = 0.0921 0.4190 0.6890 ( 3114 PWs) bands (ev): -31.5395 -31.5395 -12.8445 -12.8445 -12.4837 -12.4837 -12.4521 -12.4521 -0.6115 -0.6115 1.0543 1.0543 4.3566 4.3566 4.4712 4.4712 5.3609 5.3609 5.6091 5.6091 5.7658 5.7658 5.8018 5.8018 5.9015 5.9015 6.0127 6.0127 6.1632 6.1632 6.2388 6.2388 6.3263 6.3263 6.9775 6.9775 8.0659 8.0659 9.0585 9.0585 9.0945 9.0945 10.8455 10.8455 12.8649 12.8649 13.2164 13.2164 k = 0.0987 0.4075 0.7022 ( 3114 PWs) bands (ev): -31.5394 -31.5394 -12.8448 -12.8448 -12.4837 -12.4837 -12.4531 -12.4531 -0.5989 -0.5989 1.0828 1.0828 4.3507 4.3507 4.4537 4.4537 5.3700 5.3700 5.6151 5.6151 5.7678 5.7678 5.8029 5.8029 5.9108 5.9108 6.0190 6.0190 6.1591 6.1591 6.2450 6.2450 6.3311 6.3311 6.9833 6.9833 7.9933 7.9933 8.9319 8.9319 9.0125 9.0125 10.8584 10.8584 12.9341 12.9341 13.2654 13.2654 k = 0.1053 0.3960 0.7154 ( 3116 PWs) bands (ev): -31.5393 -31.5393 -12.8452 -12.8452 -12.4838 -12.4838 -12.4540 -12.4540 -0.5858 -0.5858 1.1128 1.1128 4.3436 4.3436 4.4348 4.4348 5.3816 5.3816 5.6211 5.6211 5.7685 5.7685 5.8033 5.8033 5.9224 5.9224 6.0262 6.0262 6.1536 6.1536 6.2506 6.2506 6.3366 6.3366 6.9895 6.9895 7.9221 7.9221 8.8058 8.8058 8.9332 8.9332 10.8695 10.8695 13.0038 13.0038 13.3126 13.3126 k = 0.1118 0.3845 0.7287 ( 3120 PWs) bands (ev): -31.5392 -31.5392 -12.8456 -12.8456 -12.4839 -12.4839 -12.4548 -12.4548 -0.5723 -0.5723 1.1441 1.1441 4.3350 4.3350 4.4144 4.4144 5.3954 5.3954 5.6272 5.6272 5.7682 5.7682 5.8035 5.8035 5.9355 5.9355 6.0341 6.0341 6.1471 6.1471 6.2558 6.2558 6.3426 6.3426 6.9961 6.9961 7.8530 7.8530 8.6844 8.6844 8.8534 8.8534 10.8782 10.8782 13.0726 13.0726 13.3592 13.3592 k = 0.1184 0.3730 0.7419 ( 3118 PWs) bands (ev): -31.5391 -31.5391 -12.8459 -12.8459 -12.4841 -12.4841 -12.4557 -12.4557 -0.5585 -0.5585 1.1765 1.1765 4.3251 4.3251 4.3929 4.3929 5.4116 5.4116 5.6334 5.6334 5.7673 5.7673 5.8039 5.8039 5.9493 5.9493 6.0426 6.0426 6.1400 6.1400 6.2604 6.2604 6.3489 6.3489 7.0032 7.0032 7.7861 7.7861 8.5685 8.5685 8.7729 8.7729 10.8839 10.8839 13.1388 13.1388 13.3230 13.3230 k = 0.1250 0.3615 0.7552 ( 3116 PWs) bands (ev): -31.5390 -31.5390 -12.8463 -12.8463 -12.4843 -12.4843 -12.4564 -12.4564 -0.5444 -0.5444 1.2101 1.2101 4.3136 4.3136 4.3704 4.3704 5.4296 5.4296 5.6397 5.6397 5.7659 5.7659 5.8046 5.8046 5.9631 5.9631 6.0514 6.0514 6.1329 6.1329 6.2646 6.2646 6.3553 6.3553 7.0106 7.0106 7.7218 7.7218 8.4586 8.4586 8.6921 8.6921 10.8859 10.8859 13.2006 13.2006 13.2609 13.2609 k = 0.1316 0.3500 0.7684 ( 3120 PWs) bands (ev): -31.5389 -31.5389 -12.8467 -12.8467 -12.4845 -12.4845 -12.4572 -12.4572 -0.5302 -0.5302 1.2444 1.2444 4.3006 4.3006 4.3472 4.3472 5.4495 5.4495 5.6459 5.6459 5.7643 5.7643 5.8057 5.8057 5.9759 5.9759 6.0602 6.0602 6.1264 6.1264 6.2685 6.2685 6.3614 6.3614 7.0184 7.0184 7.6603 7.6603 8.3550 8.3550 8.6112 8.6112 10.8837 10.8837 13.2043 13.2043 13.2569 13.2569 k = 0.1382 0.3385 0.7817 ( 3122 PWs) bands (ev): -31.5388 -31.5388 -12.8471 -12.8471 -12.4849 -12.4849 -12.4578 -12.4578 -0.5159 -0.5159 1.2795 1.2795 4.2859 4.2859 4.3235 4.3235 5.4707 5.4707 5.6522 5.6522 5.7628 5.7628 5.8074 5.8074 5.9868 5.9868 6.0686 6.0686 6.1217 6.1217 6.2721 6.2721 6.3673 6.3673 7.0265 7.0265 7.6019 7.6019 8.2580 8.2580 8.5305 8.5305 10.8766 10.8766 13.1566 13.1566 13.3056 13.3056 k = 0.1447 0.3270 0.7949 ( 3118 PWs) bands (ev): -31.5387 -31.5387 -12.8475 -12.8475 -12.4852 -12.4852 -12.4584 -12.4584 -0.5016 -0.5016 1.3151 1.3151 4.2696 4.2696 4.2999 4.2999 5.4932 5.4932 5.6585 5.6585 5.7614 5.7614 5.8099 5.8099 5.9948 5.9948 6.0755 6.0755 6.1205 6.1205 6.2758 6.2758 6.3728 6.3728 7.0349 7.0349 7.5466 7.5466 8.1679 8.1679 8.4505 8.4505 10.8646 10.8646 13.1185 13.1185 13.3477 13.3477 k = 0.1513 0.3155 0.8082 ( 3116 PWs) bands (ev): -31.5386 -31.5386 -12.8478 -12.8478 -12.4856 -12.4856 -12.4588 -12.4588 -0.4875 -0.4875 1.3509 1.3509 4.2517 4.2517 4.2765 4.2765 5.5164 5.5164 5.6649 5.6649 5.7603 5.7603 5.8129 5.8129 5.9989 5.9989 6.0796 6.0796 6.1247 6.1247 6.2796 6.2796 6.3777 6.3777 7.0433 7.0433 7.4947 7.4947 8.0849 8.0849 8.3714 8.3714 10.8474 10.8474 13.0911 13.0911 13.3843 13.3843 k = 0.1579 0.3040 0.8214 ( 3110 PWs) bands (ev): -31.5385 -31.5385 -12.8482 -12.8482 -12.4860 -12.4860 -12.4593 -12.4593 -0.4736 -0.4736 1.3867 1.3867 4.2322 4.2322 4.2536 4.2536 5.5400 5.5400 5.6713 5.6713 5.7596 5.7596 5.8165 5.8165 5.9990 5.9990 6.0804 6.0804 6.1347 6.1347 6.2839 6.2839 6.3820 6.3820 7.0518 7.0518 7.4463 7.4463 8.0091 8.0091 8.2936 8.2936 10.8253 10.8253 13.0749 13.0749 13.4167 13.4167 k = 0.1645 0.2925 0.8347 ( 3112 PWs) bands (ev): -31.5384 -31.5384 -12.8486 -12.8486 -12.4865 -12.4865 -12.4596 -12.4596 -0.4601 -0.4601 1.4223 1.4223 4.2115 4.2115 4.2315 4.2315 5.5635 5.5635 5.6780 5.6780 5.7593 5.7593 5.8207 5.8207 5.9956 5.9956 6.0787 6.0787 6.1489 6.1489 6.2886 6.2886 6.3855 6.3855 7.0600 7.0600 7.4013 7.4013 7.9407 7.9407 8.2175 8.2175 10.7987 10.7987 13.0700 13.0700 13.4462 13.4462 k = 0.1711 0.2810 0.8479 ( 3114 PWs) bands (ev): -31.5383 -31.5383 -12.8490 -12.8490 -12.4870 -12.4870 -12.4599 -12.4599 -0.4471 -0.4471 1.4574 1.4574 4.1902 4.1902 4.2098 4.2098 5.5864 5.5864 5.6849 5.6849 5.7595 5.7595 5.8253 5.8253 5.9897 5.9897 6.0752 6.0752 6.1657 6.1657 6.2939 6.2939 6.3882 6.3882 7.0679 7.0679 7.3600 7.3600 7.8797 7.8797 8.1434 8.1434 10.7682 10.7682 13.0762 13.0762 13.4736 13.4736 k = 0.1776 0.2695 0.8612 ( 3108 PWs) bands (ev): -31.5382 -31.5382 -12.8493 -12.8493 -12.4875 -12.4875 -12.4601 -12.4601 -0.4346 -0.4346 1.4916 1.4916 4.1689 4.1689 4.1886 4.1886 5.6081 5.6081 5.6923 5.6923 5.7602 5.7602 5.8305 5.8305 5.9821 5.9821 6.0702 6.0702 6.1842 6.1842 6.2999 6.2999 6.3900 6.3900 7.0752 7.0752 7.3223 7.3223 7.8260 7.8260 8.0719 8.0719 10.7348 10.7348 13.0929 13.0929 13.4996 13.4996 k = 0.1842 0.2580 0.8744 ( 3110 PWs) bands (ev): -31.5382 -31.5382 -12.8497 -12.8497 -12.4880 -12.4880 -12.4603 -12.4603 -0.4227 -0.4227 1.5246 1.5246 4.1481 4.1481 4.1677 4.1677 5.6280 5.6280 5.7003 5.7003 5.7614 5.7614 5.8360 5.8360 5.9737 5.9737 6.0639 6.0639 6.2036 6.2036 6.3063 6.3063 6.3910 6.3910 7.0818 7.0818 7.2883 7.2883 7.7795 7.7795 8.0033 8.0033 10.6995 10.6995 13.1196 13.1196 13.5247 13.5247 k = 0.1908 0.2465 0.8877 ( 3110 PWs) bands (ev): -31.5381 -31.5381 -12.8500 -12.8500 -12.4885 -12.4885 -12.4605 -12.4605 -0.4116 -0.4116 1.5561 1.5561 4.1284 4.1284 4.1473 4.1473 5.6456 5.6456 5.7089 5.7089 5.7633 5.7633 5.8418 5.8418 5.9648 5.9648 6.0565 6.0565 6.2235 6.2235 6.3130 6.3130 6.3911 6.3911 7.0874 7.0874 7.2579 7.2579 7.7399 7.7399 7.9381 7.9381 10.6633 10.6633 13.1554 13.1554 13.5491 13.5491 k = 0.1974 0.2350 0.9009 ( 3118 PWs) bands (ev): -31.5380 -31.5380 -12.8503 -12.8503 -12.4890 -12.4890 -12.4606 -12.4606 -0.4014 -0.4014 1.5856 1.5856 4.1100 4.1100 4.1277 4.1277 5.6607 5.6607 5.7176 5.7176 5.7658 5.7658 5.8476 5.8476 5.9558 5.9558 6.0486 6.0486 6.2434 6.2434 6.3199 6.3199 6.3904 6.3904 7.0919 7.0919 7.2313 7.2313 7.7067 7.7067 7.8770 7.8770 10.6273 10.6273 13.1994 13.1994 13.5729 13.5729 k = 0.2039 0.2235 0.9142 ( 3108 PWs) bands (ev): -31.5380 -31.5380 -12.8505 -12.8505 -12.4894 -12.4894 -12.4607 -12.4607 -0.3922 -0.3922 1.6129 1.6129 4.0932 4.0932 4.1092 4.1092 5.6734 5.6734 5.7259 5.7259 5.7695 5.7695 5.8534 5.8534 5.9469 5.9469 6.0408 6.0408 6.2629 6.2629 6.3269 6.3269 6.3891 6.3891 7.0951 7.0951 7.2086 7.2086 7.6796 7.6796 7.8206 7.8206 10.5927 10.5927 13.2509 13.2509 13.5961 13.5961 k = 0.2105 0.2120 0.9274 ( 3106 PWs) bands (ev): -31.5379 -31.5379 -12.8508 -12.8508 -12.4897 -12.4897 -12.4607 -12.4607 -0.3840 -0.3840 1.6375 1.6375 4.0782 4.0782 4.0921 4.0921 5.6841 5.6841 5.7324 5.7324 5.7744 5.7744 5.8587 5.8587 5.9382 5.9382 6.0338 6.0338 6.2815 6.2815 6.3336 6.3336 6.3871 6.3871 7.0969 7.0969 7.1896 7.1896 7.6578 7.6578 7.7697 7.7697 10.5605 10.5605 13.3087 13.3087 13.6185 13.6185 k = 0.2171 0.2005 0.9407 ( 3102 PWs) bands (ev): -31.5378 -31.5378 -12.8510 -12.8510 -12.4901 -12.4901 -12.4607 -12.4607 -0.3769 -0.3769 1.6591 1.6591 4.0652 4.0652 4.0769 4.0769 5.6933 5.6933 5.7366 5.7366 5.7807 5.7807 5.8635 5.8635 5.9294 5.9294 6.0280 6.0280 6.2985 6.2985 6.3401 6.3401 6.3846 6.3846 7.0973 7.0973 7.1745 7.1745 7.6406 7.6406 7.7250 7.7250 10.5315 10.5315 13.3721 13.3721 13.6397 13.6397 k = 0.2237 0.1890 0.9539 ( 3102 PWs) bands (ev): -31.5378 -31.5378 -12.8511 -12.8511 -12.4904 -12.4904 -12.4608 -12.4608 -0.3710 -0.3710 1.6773 1.6773 4.0543 4.0543 4.0639 4.0639 5.7016 5.7016 5.7383 5.7383 5.7878 5.7878 5.8676 5.8676 5.9208 5.9208 6.0238 6.0238 6.3135 6.3135 6.3460 6.3460 6.3819 6.3819 7.0966 7.0966 7.1631 7.1631 7.6270 7.6270 7.6876 7.6876 10.5066 10.5066 13.4401 13.4401 13.6591 13.6591 k = 0.2303 0.1775 0.9672 ( 3102 PWs) bands (ev): -31.5378 -31.5378 -12.8513 -12.8513 -12.4906 -12.4906 -12.4608 -12.4608 -0.3663 -0.3663 1.6918 1.6918 4.0456 4.0456 4.0534 4.0534 5.7089 5.7089 5.7380 5.7380 5.7948 5.7948 5.8711 5.8711 5.9124 5.9124 6.0210 6.0210 6.3259 6.3259 6.3511 6.3511 6.3793 6.3793 7.0950 7.0950 7.1550 7.1550 7.6160 7.6160 7.6587 7.6587 10.4865 10.4865 13.5114 13.5114 13.6759 13.6759 k = 0.2368 0.1660 0.9804 ( 3098 PWs) bands (ev): -31.5378 -31.5378 -12.8513 -12.8513 -12.4907 -12.4907 -12.4608 -12.4608 -0.3630 -0.3630 1.7023 1.7023 4.0393 4.0393 4.0458 4.0458 5.7156 5.7156 5.7360 5.7360 5.8008 5.8008 5.8742 5.8742 5.9048 5.9048 6.0196 6.0196 6.3354 6.3354 6.3547 6.3547 6.3771 6.3771 7.0932 7.0932 7.1499 7.1499 7.6067 7.6067 7.6395 7.6395 10.4718 10.4718 13.5844 13.5844 13.6891 13.6891 k = 0.2434 0.1545 0.9937 ( 3104 PWs) bands (ev): -31.5378 -31.5378 -12.8514 -12.8514 -12.4909 -12.4909 -12.4608 -12.4608 -0.3610 -0.3610 1.7087 1.7087 4.0355 4.0355 4.0412 4.0412 5.7213 5.7213 5.7329 5.7329 5.8049 5.8049 5.8768 5.8768 5.8988 5.8988 6.0189 6.0189 6.3418 6.3418 6.3563 6.3563 6.3759 6.3759 7.0919 7.0919 7.1470 7.1470 7.5994 7.5994 7.6295 7.6295 10.4628 10.4628 13.6555 13.6555 13.6976 13.6976 k = 0.2500 0.1430 1.0069 ( 3108 PWs) bands (ev): -31.5378 -31.5378 -12.8515 -12.8515 -12.4909 -12.4909 -12.4608 -12.4608 -0.3603 -0.3603 1.7109 1.7109 4.0342 4.0342 4.0396 4.0396 5.7245 5.7245 5.7305 5.7305 5.8064 5.8064 5.8779 5.8779 5.8963 5.8963 6.0187 6.0187 6.3441 6.3441 6.3565 6.3565 6.3756 6.3756 7.0914 7.0914 7.1461 7.1461 7.5966 7.5966 7.6265 7.6265 10.4597 10.4597 13.6996 13.6996 13.7013 13.7013 k = 0.2500 0.1430 1.0069 ( 3108 PWs) bands (ev): -31.5378 -31.5378 -12.8515 -12.8515 -12.4909 -12.4909 -12.4608 -12.4608 -0.3603 -0.3603 1.7109 1.7109 4.0342 4.0342 4.0396 4.0396 5.7245 5.7245 5.7305 5.7305 5.8064 5.8064 5.8779 5.8779 5.8963 5.8963 6.0187 6.0187 6.3441 6.3441 6.3565 6.3565 6.3756 6.3756 7.0914 7.0914 7.1461 7.1461 7.5966 7.5966 7.6265 7.6265 10.4597 10.4597 13.6996 13.6996 13.7013 13.7013 k = 0.2639 0.1510 0.9978 ( 3102 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4608 -12.4608 -0.3604 -0.3604 1.7104 1.7104 4.0248 4.0248 4.0500 4.0500 5.7230 5.7230 5.7318 5.7318 5.8060 5.8060 5.8777 5.8777 5.8975 5.8975 6.0188 6.0188 6.3427 6.3427 6.3565 6.3565 6.3752 6.3752 7.0891 7.0891 7.1473 7.1473 7.5753 7.5753 7.6514 7.6514 10.4641 10.4641 13.6331 13.6331 13.7373 13.7373 k = 0.2778 0.1589 0.9886 ( 3098 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4908 -12.4908 -12.4608 -12.4608 -0.3609 -0.3609 1.7088 1.7088 4.0132 4.0132 4.0645 4.0645 5.7200 5.7200 5.7336 5.7336 5.8052 5.8052 5.8763 5.8763 5.9011 5.9011 6.0190 6.0190 6.3382 6.3382 6.3567 6.3567 6.3740 6.3740 7.0825 7.0825 7.1506 7.1506 7.5489 7.5489 7.6891 7.6891 10.4770 10.4770 13.5626 13.5626 13.7300 13.7300 k = 0.2917 0.1669 0.9795 ( 3096 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4908 -12.4908 -12.4608 -12.4608 -0.3615 -0.3615 1.7058 1.7058 4.0027 4.0027 4.0804 4.0804 5.7167 5.7167 5.7351 5.7351 5.8040 5.8040 5.8739 5.8739 5.9065 5.9065 6.0194 6.0194 6.3307 6.3307 6.3566 6.3566 6.3722 6.3722 7.0726 7.0726 7.1549 7.1549 7.5272 7.5272 7.7299 7.7299 10.4980 10.4980 13.4905 13.4905 13.7123 13.7123 k = 0.3056 0.1748 0.9703 ( 3092 PWs) bands (ev): -31.5378 -31.5378 -12.8513 -12.8513 -12.4908 -12.4908 -12.4607 -12.4607 -0.3622 -0.3622 1.7012 1.7012 3.9933 3.9933 4.0975 4.0975 5.7133 5.7133 5.7363 5.7363 5.8028 5.8028 5.8709 5.8709 5.9132 5.9132 6.0201 6.0201 6.3199 6.3199 6.3560 6.3560 6.3702 6.3702 7.0608 7.0608 7.1596 7.1596 7.5111 7.5111 7.7729 7.7729 10.5266 10.5266 13.4175 13.4175 13.6873 13.6873 k = 0.3194 0.1827 0.9612 ( 3094 PWs) bands (ev): -31.5378 -31.5378 -12.8513 -12.8513 -12.4907 -12.4907 -12.4607 -12.4607 -0.3630 -0.3630 1.6949 1.6949 3.9851 3.9851 4.1158 4.1158 5.7100 5.7100 5.7368 5.7368 5.8016 5.8016 5.8677 5.8677 5.9202 5.9202 6.0211 6.0211 6.3054 6.3054 6.3546 6.3546 6.3682 6.3682 7.0485 7.0485 7.1642 7.1642 7.5003 7.5003 7.8175 7.8175 10.5622 10.5622 13.3446 13.3446 13.6495 13.6495 k = 0.3333 0.1907 0.9520 ( 3096 PWs) bands (ev): -31.5378 -31.5378 -12.8513 -12.8513 -12.4906 -12.4906 -12.4607 -12.4607 -0.3637 -0.3637 1.6866 1.6866 3.9781 3.9781 4.1355 4.1355 5.7067 5.7067 5.7368 5.7368 5.8007 5.8007 5.8643 5.8643 5.9272 5.9272 6.0224 6.0224 6.2871 6.2871 6.3523 6.3523 6.3668 6.3668 7.0375 7.0375 7.1685 7.1685 7.4943 7.4943 7.8632 7.8632 10.6039 10.6039 13.2728 13.2728 13.5903 13.5903 k = 0.3472 0.1986 0.9429 ( 3098 PWs) bands (ev): -31.5378 -31.5378 -12.8512 -12.8512 -12.4905 -12.4905 -12.4607 -12.4607 -0.3643 -0.3643 1.6763 1.6763 3.9725 3.9725 4.1565 4.1565 5.7036 5.7036 5.7364 5.7364 5.8001 5.8001 5.8611 5.8611 5.9338 5.9338 6.0240 6.0240 6.2648 6.2648 6.3492 6.3492 6.3658 6.3658 7.0293 7.0293 7.1724 7.1724 7.4921 7.4921 7.9095 7.9095 10.6511 10.6511 13.2028 13.2028 13.5071 13.5071 k = 0.3611 0.2066 0.9337 ( 3096 PWs) bands (ev): -31.5378 -31.5378 -12.8511 -12.8511 -12.4904 -12.4904 -12.4607 -12.4607 -0.3648 -0.3648 1.6638 1.6638 3.9682 3.9682 4.1786 4.1786 5.7005 5.7005 5.7355 5.7355 5.8000 5.8000 5.8581 5.8581 5.9397 5.9397 6.0259 6.0259 6.2388 6.2388 6.3455 6.3455 6.3652 6.3652 7.0252 7.0252 7.1760 7.1760 7.4929 7.4929 7.9560 7.9560 10.7028 10.7028 13.1354 13.1354 13.4074 13.4074 k = 0.3750 0.2145 0.9245 ( 3094 PWs) bands (ev): -31.5378 -31.5378 -12.8510 -12.8510 -12.4902 -12.4902 -12.4607 -12.4607 -0.3651 -0.3651 1.6493 1.6493 3.9653 3.9653 4.2017 4.2017 5.6973 5.6973 5.7343 5.7343 5.8003 5.8003 5.8555 5.8555 5.9446 5.9446 6.0280 6.0280 6.2096 6.2096 6.3413 6.3413 6.3647 6.3647 7.0263 7.0263 7.1793 7.1793 7.4960 7.4960 8.0021 8.0021 10.7579 10.7579 13.0714 13.0714 13.3009 13.3009 k = 0.3889 0.2225 0.9154 ( 3098 PWs) bands (ev): -31.5378 -31.5378 -12.8510 -12.8510 -12.4901 -12.4901 -12.4607 -12.4607 -0.3652 -0.3652 1.6326 1.6326 3.9639 3.9639 4.2256 4.2256 5.6939 5.6939 5.7330 5.7330 5.8012 5.8012 5.8533 5.8533 5.9484 5.9484 6.0301 6.0301 6.1780 6.1780 6.3369 6.3369 6.3642 6.3642 7.0327 7.0327 7.1824 7.1824 7.5006 7.5006 8.0474 8.0474 10.8151 10.8151 13.0115 13.0115 13.1941 13.1941 k = 0.4028 0.2304 0.9062 ( 3100 PWs) bands (ev): -31.5379 -31.5379 -12.8509 -12.8509 -12.4899 -12.4899 -12.4608 -12.4608 -0.3652 -0.3652 1.6139 1.6139 3.9639 3.9639 4.2502 4.2502 5.6902 5.6902 5.7319 5.7319 5.8026 5.8026 5.8516 5.8516 5.9506 5.9506 6.0319 6.0319 6.1451 6.1451 6.3321 6.3321 6.3637 6.3637 7.0448 7.0448 7.1855 7.1855 7.5065 7.5065 8.0913 8.0913 10.8729 10.8729 12.9564 12.9564 13.0913 13.0913 k = 0.4167 0.2384 0.8971 ( 3095 PWs) bands (ev): -31.5379 -31.5379 -12.8508 -12.8508 -12.4897 -12.4897 -12.4608 -12.4608 -0.3650 -0.3650 1.5934 1.5934 3.9654 3.9654 4.2752 4.2752 5.6860 5.6860 5.7310 5.7310 5.8044 5.8044 5.8505 5.8505 5.9509 5.9509 6.0331 6.0331 6.1124 6.1124 6.3272 6.3272 6.3633 6.3633 7.0620 7.0620 7.1889 7.1889 7.5135 7.5135 8.1335 8.1335 10.9296 10.9296 12.9067 12.9067 12.9957 12.9957 k = 0.4306 0.2463 0.8879 ( 3090 PWs) bands (ev): -31.5379 -31.5379 -12.8506 -12.8506 -12.4895 -12.4895 -12.4607 -12.4607 -0.3646 -0.3646 1.5710 1.5710 3.9684 3.9684 4.3002 4.3002 5.6813 5.6813 5.7306 5.7306 5.8068 5.8068 5.8500 5.8500 5.9484 5.9484 6.0328 6.0328 6.0827 6.0827 6.3221 6.3221 6.3629 6.3629 7.0834 7.0834 7.1931 7.1931 7.5214 7.5214 8.1734 8.1734 10.9832 10.9832 12.8629 12.8629 12.9097 12.9097 k = 0.4444 0.2543 0.8788 ( 3092 PWs) bands (ev): -31.5379 -31.5379 -12.8505 -12.8505 -12.4893 -12.4893 -12.4607 -12.4607 -0.3641 -0.3641 1.5472 1.5472 3.9730 3.9730 4.3248 4.3248 5.6762 5.6762 5.7304 5.7304 5.8094 5.8094 5.8500 5.8500 5.9412 5.9412 6.0287 6.0287 6.0606 6.0606 6.3168 6.3168 6.3625 6.3625 7.1072 7.1072 7.1991 7.1991 7.5304 7.5304 8.2105 8.2105 11.0314 11.0314 12.8256 12.8256 12.8361 12.8361 k = 0.4583 0.2622 0.8696 ( 3092 PWs) bands (ev): -31.5380 -31.5380 -12.8504 -12.8504 -12.4891 -12.4891 -12.4607 -12.4607 -0.3636 -0.3636 1.5220 1.5220 3.9792 3.9792 4.3489 4.3489 5.6707 5.6707 5.7303 5.7303 5.8122 5.8122 5.8506 5.8506 5.9279 5.9279 6.0194 6.0194 6.0505 6.0505 6.3114 6.3114 6.3620 6.3620 7.1305 7.1305 7.2092 7.2092 7.5411 7.5411 8.2446 8.2446 11.0719 11.0719 12.7771 12.7771 12.7951 12.7951 k = 0.4722 0.2701 0.8605 ( 3092 PWs) bands (ev): -31.5380 -31.5380 -12.8502 -12.8502 -12.4888 -12.4888 -12.4607 -12.4607 -0.3632 -0.3632 1.4958 1.4958 3.9869 3.9869 4.3720 4.3720 5.6649 5.6649 5.7298 5.7298 5.8149 5.8149 5.8514 5.8514 5.9091 5.9091 6.0109 6.0109 6.0471 6.0471 6.3059 6.3059 6.3616 6.3616 7.1490 7.1490 7.2262 7.2262 7.5544 7.5544 8.2752 8.2752 11.1022 11.1022 12.7350 12.7350 12.7718 12.7718 k = 0.4861 0.2781 0.8513 ( 3090 PWs) bands (ev): -31.5380 -31.5380 -12.8501 -12.8501 -12.4885 -12.4885 -12.4607 -12.4607 -0.3630 -0.3630 1.4690 1.4690 3.9962 3.9962 4.3937 4.3937 5.6587 5.6587 5.7285 5.7285 5.8172 5.8172 5.8511 5.8511 5.8898 5.8898 6.0061 6.0061 6.0454 6.0454 6.3003 6.3003 6.3612 6.3612 7.1605 7.1605 7.2505 7.2505 7.5716 7.5716 8.3021 8.3021 11.1208 11.1208 12.7112 12.7112 12.7559 12.7559 k = 0.5000 0.2860 0.8422 ( 3092 PWs) bands (ev): -31.5381 -31.5381 -12.8499 -12.8499 -12.4883 -12.4883 -12.4607 -12.4607 -0.3630 -0.3630 1.4417 1.4417 4.0071 4.0071 4.4137 4.4137 5.6522 5.6522 5.7251 5.7251 5.8181 5.8181 5.8461 5.8461 5.8787 5.8787 6.0043 6.0043 6.0439 6.0439 6.2947 6.2947 6.3608 6.3608 7.1670 7.1670 7.2779 7.2779 7.5946 7.5946 8.3248 8.3248 11.1266 11.1266 12.7063 12.7063 12.7476 12.7476 k = 0.5000 0.2860 0.8422 ( 3092 PWs) bands (ev): -31.5381 -31.5381 -12.8499 -12.8499 -12.4883 -12.4883 -12.4607 -12.4607 -0.3630 -0.3630 1.4417 1.4417 4.0071 4.0071 4.4137 4.4137 5.6522 5.6522 5.7251 5.7251 5.8181 5.8181 5.8461 5.8461 5.8787 5.8787 6.0043 6.0043 6.0439 6.0439 6.2947 6.2947 6.3608 6.3608 7.1670 7.1670 7.2779 7.2779 7.5946 7.5946 8.3248 8.3248 11.1266 11.1266 12.7063 12.7063 12.7476 12.7476 k = 0.5000 0.2860 0.8234 ( 3100 PWs) bands (ev): -31.5381 -31.5381 -12.8496 -12.8496 -12.4877 -12.4877 -12.4608 -12.4608 -0.3638 -0.3638 1.3842 1.3842 4.0323 4.0323 4.4534 4.4534 5.6344 5.6344 5.7123 5.7123 5.8169 5.8169 5.8336 5.8336 5.8718 5.8718 6.0025 6.0025 6.0408 6.0408 6.2833 6.2833 6.3599 6.3599 7.1741 7.1741 7.3377 7.3377 7.6520 7.6520 8.3691 8.3691 11.1257 11.1257 12.7114 12.7114 12.7381 12.7381 k = 0.5000 0.2860 0.8047 ( 3112 PWs) bands (ev): -31.5382 -31.5382 -12.8493 -12.8493 -12.4870 -12.4870 -12.4608 -12.4608 -0.3648 -0.3648 1.3237 1.3237 4.0602 4.0602 4.4940 4.4940 5.6073 5.6073 5.6969 5.6969 5.8161 5.8161 5.8297 5.8297 5.8673 5.8673 6.0007 6.0007 6.0376 6.0376 6.2722 6.2722 6.3589 6.3589 7.1785 7.1785 7.4030 7.4030 7.7154 7.7154 8.4171 8.4171 11.1256 11.1256 12.7076 12.7076 12.7281 12.7281 k = 0.5000 0.2860 0.7860 ( 3108 PWs) bands (ev): -31.5383 -31.5383 -12.8489 -12.8489 -12.4863 -12.4863 -12.4608 -12.4608 -0.3662 -0.3662 1.2608 1.2608 4.0907 4.0907 4.5349 4.5349 5.5706 5.5706 5.6839 5.6839 5.8180 5.8180 5.8291 5.8291 5.8638 5.8638 5.9991 5.9991 6.0347 6.0347 6.2621 6.2621 6.3580 6.3580 7.1821 7.1821 7.4716 7.4716 7.7849 7.7849 8.4687 8.4687 11.1264 11.1264 12.6940 12.6940 12.7178 12.7178 k = 0.5000 0.2860 0.7673 ( 3110 PWs) bands (ev): -31.5384 -31.5384 -12.8484 -12.8484 -12.4855 -12.4855 -12.4608 -12.4608 -0.3681 -0.3681 1.1961 1.1961 4.1237 4.1237 4.5757 4.5757 5.5273 5.5273 5.6741 5.6741 5.8204 5.8204 5.8298 5.8298 5.8614 5.8614 5.9975 5.9975 6.0323 6.0323 6.2531 6.2531 6.3571 6.3571 7.1853 7.1853 7.5427 7.5427 7.8602 7.8602 8.5237 8.5237 11.1284 11.1284 12.6706 12.6706 12.7071 12.7071 k = 0.5000 0.2860 0.7486 ( 3108 PWs) bands (ev): -31.5385 -31.5385 -12.8479 -12.8479 -12.4846 -12.4846 -12.4608 -12.4608 -0.3706 -0.3706 1.1300 1.1300 4.1593 4.1593 4.6161 4.6161 5.4807 5.4807 5.6666 5.6666 5.8203 5.8203 5.8313 5.8313 5.8609 5.8609 5.9963 5.9963 6.0308 6.0308 6.2454 6.2454 6.3561 6.3561 7.1884 7.1884 7.6159 7.6159 7.9412 7.9412 8.5818 8.5818 11.1318 11.1318 12.6381 12.6381 12.6962 12.6962 k = 0.5000 0.2860 0.7299 ( 3108 PWs) bands (ev): -31.5386 -31.5386 -12.8474 -12.8474 -12.4837 -12.4837 -12.4608 -12.4608 -0.3736 -0.3736 1.0629 1.0629 4.1973 4.1973 4.6556 4.6556 5.4328 5.4328 5.6606 5.6606 5.8175 5.8175 5.8310 5.8310 5.8638 5.8638 5.9956 5.9956 6.0307 6.0307 6.2393 6.2393 6.3552 6.3552 7.1916 7.1916 7.6909 7.6909 8.0275 8.0275 8.6430 8.6430 11.1369 11.1369 12.5976 12.5976 12.6848 12.6848 k = 0.5000 0.2860 0.7112 ( 3104 PWs) bands (ev): -31.5387 -31.5387 -12.8469 -12.8469 -12.4827 -12.4827 -12.4608 -12.4608 -0.3773 -0.3773 0.9951 0.9951 4.2377 4.2377 4.6941 4.6941 5.3847 5.3847 5.6558 5.6558 5.8128 5.8128 5.8275 5.8275 5.8694 5.8694 5.9956 5.9956 6.0328 6.0328 6.2348 6.2348 6.3544 6.3544 7.1949 7.1949 7.7676 7.7676 8.1190 8.1190 8.7070 8.7070 11.1438 11.1438 12.5504 12.5504 12.6731 12.6731 k = 0.5000 0.2860 0.6924 ( 3108 PWs) bands (ev): -31.5389 -31.5389 -12.8463 -12.8463 -12.4816 -12.4816 -12.4608 -12.4608 -0.3817 -0.3817 0.9271 0.9271 4.2806 4.2806 4.7313 4.7313 5.3370 5.3370 5.6519 5.6519 5.8067 5.8067 5.8211 5.8211 5.8761 5.8761 5.9964 5.9964 6.0377 6.0377 6.2319 6.2319 6.3537 6.3537 7.1983 7.1983 7.8458 7.8458 8.2153 8.2153 8.7737 8.7737 11.1529 11.1529 12.4979 12.4979 12.6608 12.6608 k = 0.5000 0.2860 0.6737 ( 3110 PWs) bands (ev): -31.5390 -31.5390 -12.8457 -12.8457 -12.4806 -12.4806 -12.4608 -12.4608 -0.3869 -0.3869 0.8590 0.8590 4.3257 4.3257 4.7672 4.7672 5.2903 5.2903 5.6489 5.6489 5.7991 5.7991 5.8126 5.8126 5.8822 5.8822 5.9982 5.9982 6.0462 6.0462 6.2307 6.2307 6.3532 6.3532 7.2019 7.2019 7.9253 7.9253 8.3161 8.3161 8.8431 8.8431 11.1645 11.1645 12.4412 12.4412 12.6477 12.6477 k = 0.5000 0.2860 0.6550 ( 3104 PWs) bands (ev): -31.5391 -31.5391 -12.8451 -12.8451 -12.4794 -12.4794 -12.4607 -12.4607 -0.3929 -0.3929 0.7912 0.7912 4.3731 4.3731 4.8016 4.8016 5.2449 5.2449 5.6467 5.6467 5.7901 5.7901 5.8028 5.8028 5.8869 5.8869 6.0013 6.0013 6.0585 6.0585 6.2310 6.2310 6.3529 6.3529 7.2057 7.2057 8.0060 8.0060 8.4208 8.4208 8.9150 8.9150 11.1789 11.1789 12.3817 12.3817 12.6335 12.6335 k = 0.5000 0.2860 0.6363 ( 3108 PWs) bands (ev): -31.5392 -31.5392 -12.8445 -12.8445 -12.4783 -12.4783 -12.4607 -12.4607 -0.3997 -0.3997 0.7239 0.7239 4.4226 4.4226 4.8346 4.8346 5.2009 5.2009 5.6451 5.6451 5.7792 5.7792 5.7925 5.7925 5.8895 5.8895 6.0060 6.0060 6.0745 6.0745 6.2325 6.2325 6.3530 6.3530 7.2097 7.2097 8.0878 8.0878 8.5291 8.5291 8.9893 8.9893 11.1963 11.1963 12.3203 12.3203 12.6177 12.6177 k = 0.5000 0.2860 0.6176 ( 3108 PWs) bands (ev): -31.5394 -31.5394 -12.8438 -12.8438 -12.4770 -12.4770 -12.4607 -12.4607 -0.4075 -0.4075 0.6572 0.6572 4.4742 4.4742 4.8660 4.8660 5.1587 5.1587 5.6442 5.6442 5.7663 5.7663 5.7824 5.7824 5.8902 5.8902 6.0122 6.0122 6.0942 6.0942 6.2353 6.2353 6.3535 6.3535 7.2139 7.2139 8.1705 8.1705 8.6403 8.6403 9.0659 9.0659 11.2171 11.2171 12.2580 12.2580 12.5999 12.5999 k = 0.5000 0.2860 0.5989 ( 3112 PWs) bands (ev): -31.5395 -31.5395 -12.8431 -12.8431 -12.4758 -12.4758 -12.4606 -12.4606 -0.4161 -0.4161 0.5915 0.5915 4.5277 4.5277 4.8961 4.8961 5.1182 5.1182 5.6437 5.6437 5.7519 5.7519 5.7727 5.7727 5.8891 5.8891 6.0201 6.0201 6.1170 6.1170 6.2390 6.2390 6.3545 6.3545 7.2183 7.2183 8.2538 8.2538 8.7539 8.7539 9.1447 9.1447 11.2417 11.2417 12.1954 12.1954 12.5793 12.5793 k = 0.5000 0.2860 0.5802 ( 3112 PWs) bands (ev): -31.5397 -31.5397 -12.8424 -12.8424 -12.4745 -12.4745 -12.4606 -12.4606 -0.4257 -0.4257 0.5267 0.5267 4.5831 4.5831 4.9246 4.9246 5.0798 5.0798 5.6433 5.6433 5.7365 5.7365 5.7633 5.7633 5.8866 5.8866 6.0294 6.0294 6.1426 6.1426 6.2437 6.2437 6.3563 6.3563 7.2230 7.2230 8.3376 8.3376 8.8694 8.8694 9.2255 9.2255 11.2705 11.2705 12.1336 12.1336 12.5550 12.5550 k = 0.5000 0.2860 0.5614 ( 3108 PWs) bands (ev): -31.5398 -31.5398 -12.8417 -12.8417 -12.4732 -12.4732 -12.4605 -12.4605 -0.4362 -0.4362 0.4631 0.4631 4.6400 4.6400 4.9516 4.9516 5.0434 5.0434 5.6427 5.6427 5.7209 5.7209 5.7544 5.7544 5.8832 5.8832 6.0399 6.0399 6.1705 6.1705 6.2494 6.2494 6.3589 6.3589 7.2280 7.2280 8.4216 8.4216 8.9861 8.9861 9.3085 9.3085 11.3040 11.3040 12.0731 12.0731 12.5259 12.5259 k = 0.5000 0.2860 0.5427 ( 3110 PWs) bands (ev): -31.5400 -31.5400 -12.8410 -12.8410 -12.4718 -12.4718 -12.4604 -12.4604 -0.4475 -0.4475 0.4008 0.4008 4.6981 4.6981 4.9766 4.9766 5.0100 5.0100 5.6409 5.6409 5.7057 5.7057 5.7461 5.7461 5.8792 5.8792 6.0511 6.0511 6.1996 6.1996 6.2567 6.2567 6.3628 6.3628 7.2332 7.2332 8.5055 8.5055 9.1032 9.1032 9.3933 9.3933 11.3425 11.3425 12.0145 12.0145 12.4908 12.4908 k = 0.5000 0.2860 0.5240 ( 3106 PWs) bands (ev): -31.5401 -31.5401 -12.8403 -12.8403 -12.4705 -12.4705 -12.4603 -12.4603 -0.4597 -0.4597 0.3399 0.3399 4.7570 4.7570 4.9750 4.9750 5.0047 5.0047 5.6371 5.6371 5.6917 5.6917 5.7389 5.7389 5.8750 5.8750 6.0632 6.0632 6.2271 6.2271 6.2679 6.2679 6.3683 6.3683 7.2387 7.2387 8.5890 8.5890 9.2200 9.2200 9.4801 9.4801 11.3866 11.3866 11.9586 11.9586 12.4484 12.4484 k = 0.5000 0.2860 0.5053 ( 3118 PWs) bands (ev): -31.5403 -31.5403 -12.8396 -12.8396 -12.4691 -12.4691 -12.4602 -12.4602 -0.4728 -0.4728 0.2804 0.2804 4.8148 4.8148 4.9484 4.9484 5.0272 5.0272 5.6301 5.6301 5.6796 5.6796 5.7331 5.7331 5.8708 5.8708 6.0757 6.0757 6.2467 6.2467 6.2880 6.2880 6.3764 6.3764 7.2446 7.2446 8.6717 8.6717 9.3359 9.3359 9.5686 9.5686 11.4366 11.4366 11.9059 11.9059 12.3974 12.3974 k = 0.5000 0.2860 0.4866 ( 3118 PWs) bands (ev): -31.5404 -31.5404 -12.8388 -12.8388 -12.4678 -12.4678 -12.4601 -12.4601 -0.4865 -0.4865 0.2227 0.2227 4.8621 4.8621 4.9342 4.9342 5.0497 5.0497 5.6195 5.6195 5.6695 5.6695 5.7294 5.7294 5.8670 5.8670 6.0884 6.0884 6.2580 6.2580 6.3156 6.3156 6.3891 6.3891 7.2508 7.2508 8.7532 8.7532 9.4501 9.4501 9.6588 9.6588 11.4932 11.4932 11.8572 11.8572 12.3369 12.3369 k = 0.5000 0.2860 0.4679 ( 3114 PWs) bands (ev): -31.5406 -31.5406 -12.8381 -12.8381 -12.4664 -12.4664 -12.4600 -12.4600 -0.5010 -0.5010 0.1665 0.1665 4.8675 4.8675 4.9641 4.9641 5.0719 5.0719 5.6062 5.6062 5.6603 5.6603 5.7277 5.7277 5.8639 5.8639 6.1014 6.1014 6.2661 6.2661 6.3417 6.3417 6.4104 6.4104 7.2574 7.2574 8.8330 8.8330 9.5619 9.5619 9.7506 9.7506 11.5567 11.5567 11.8130 11.8130 12.2662 12.2662 k = 0.5000 0.2860 0.4492 ( 3114 PWs) bands (ev): -31.5407 -31.5407 -12.8373 -12.8373 -12.4650 -12.4650 -12.4598 -12.4598 -0.5161 -0.5161 0.1122 0.1122 4.8483 4.8483 5.0194 5.0194 5.0943 5.0943 5.5913 5.5913 5.6511 5.6511 5.7277 5.7277 5.8617 5.8617 6.1141 6.1141 6.2735 6.2735 6.3611 6.3611 6.4431 6.4431 7.2644 7.2644 8.9104 8.9104 9.6706 9.6706 9.8438 9.8438 11.6271 11.6271 11.7742 11.7742 12.1852 12.1852 k = 0.5000 0.2860 0.4304 ( 3118 PWs) bands (ev): -31.5408 -31.5408 -12.8366 -12.8366 -12.4637 -12.4637 -12.4596 -12.4596 -0.5317 -0.5317 0.0597 0.0597 4.8261 4.8261 5.0746 5.0746 5.1208 5.1208 5.5757 5.5757 5.6415 5.6415 5.7288 5.7288 5.8608 5.8608 6.1264 6.1264 6.2811 6.2811 6.3755 6.3755 6.4848 6.4848 7.2719 7.2719 8.9851 8.9851 9.7758 9.7758 9.9385 9.9385 11.7022 11.7022 11.7438 11.7438 12.0942 12.0942 k = 0.5000 0.2860 0.4117 ( 3122 PWs) bands (ev): -31.5410 -31.5410 -12.8359 -12.8359 -12.4625 -12.4625 -12.4593 -12.4593 -0.5478 -0.5478 0.0091 0.0091 4.8043 4.8043 5.1135 5.1135 5.1639 5.1639 5.5599 5.5599 5.6317 5.6317 5.7302 5.7302 5.8614 5.8614 6.1379 6.1379 6.2896 6.2896 6.3879 6.3879 6.5323 6.5323 7.2799 7.2799 9.0562 9.0562 9.8770 9.8770 10.0343 10.0343 11.7096 11.7096 11.7947 11.7947 11.9945 11.9945 k = 0.5000 0.2860 0.3930 ( 3128 PWs) bands (ev): -31.5411 -31.5411 -12.8352 -12.8352 -12.4615 -12.4615 -12.4588 -12.4588 -0.5642 -0.5642 -0.0396 -0.0396 4.7834 4.7834 5.1368 5.1368 5.2218 5.2218 5.5442 5.5442 5.6217 5.6217 5.7315 5.7315 5.8636 5.8636 6.1482 6.1482 6.2994 6.2994 6.3999 6.3999 6.5836 6.5836 7.2885 7.2885 9.1233 9.1233 9.9739 9.9739 10.1312 10.1312 11.6896 11.6896 11.8768 11.8768 11.8972 11.8972 k = 0.5000 0.2860 0.3743 ( 3128 PWs) bands (ev): -31.5413 -31.5413 -12.8345 -12.8345 -12.4607 -12.4607 -12.4581 -12.4581 -0.5808 -0.5808 -0.0863 -0.0863 4.7639 4.7639 5.1554 5.1554 5.2827 5.2827 5.5290 5.5290 5.6117 5.6117 5.7323 5.7323 5.8677 5.8677 6.1571 6.1571 6.3109 6.3109 6.4120 6.4120 6.6381 6.6381 7.2978 7.2978 9.1856 9.1856 10.0666 10.0666 10.2290 10.2290 11.6750 11.6750 11.7718 11.7718 11.9888 11.9888 k = 0.5000 0.2860 0.3556 ( 3126 PWs) bands (ev): -31.5414 -31.5414 -12.8338 -12.8338 -12.4602 -12.4602 -12.4570 -12.4570 -0.5976 -0.5976 -0.1309 -0.1309 4.7455 4.7455 5.1721 5.1721 5.3430 5.3430 5.5144 5.5144 5.6022 5.6022 5.7325 5.7325 5.8735 5.8735 6.1643 6.1643 6.3243 6.3243 6.4250 6.4250 6.6952 6.6952 7.3080 7.3080 9.2426 9.2426 10.1549 10.1549 10.3276 10.3276 11.6465 11.6465 11.6736 11.6736 12.0957 12.0957 k = 0.5000 0.2860 0.3369 ( 3122 PWs) bands (ev): -31.5415 -31.5415 -12.8331 -12.8331 -12.4599 -12.4599 -12.4559 -12.4559 -0.6143 -0.6143 -0.1735 -0.1735 4.7284 4.7284 5.1877 5.1877 5.4007 5.4007 5.5008 5.5008 5.5933 5.5933 5.7324 5.7324 5.8810 5.8810 6.1699 6.1699 6.3395 6.3395 6.4390 6.4390 6.7546 6.7546 7.3190 7.3190 9.2940 9.2940 10.2391 10.2391 10.4267 10.4267 11.5270 11.5270 11.6684 11.6684 12.2080 12.2080 k = 0.5000 0.2860 0.3182 ( 3126 PWs) bands (ev): -31.5417 -31.5417 -12.8325 -12.8325 -12.4597 -12.4597 -12.4547 -12.4547 -0.6310 -0.6310 -0.2139 -0.2139 4.7125 4.7125 5.2024 5.2024 5.4516 5.4516 5.4903 5.4903 5.5863 5.5863 5.7322 5.7322 5.8897 5.8897 6.1737 6.1737 6.3559 6.3559 6.4545 6.4545 6.8160 6.8160 7.3311 7.3311 9.3392 9.3392 10.3196 10.3196 10.5262 10.5262 11.4012 11.4012 11.6723 11.6723 12.3237 12.3237 k = 0.5000 0.2860 0.2994 ( 3136 PWs) bands (ev): -31.5418 -31.5418 -12.8319 -12.8319 -12.4595 -12.4595 -12.4535 -12.4535 -0.6474 -0.6474 -0.2522 -0.2522 4.6977 4.6977 5.2162 5.2162 5.4677 5.4677 5.5067 5.5067 5.5844 5.5844 5.7328 5.7328 5.8993 5.8993 6.1760 6.1760 6.3729 6.3729 6.4722 6.4722 6.8790 6.8790 7.3444 7.3444 9.3782 9.3782 10.3966 10.3966 10.6258 10.6258 11.2734 11.2734 11.6802 11.6802 12.4387 12.4387 k = 0.5000 0.2860 0.2807 ( 3144 PWs) bands (ev): -31.5419 -31.5419 -12.8313 -12.8313 -12.4594 -12.4594 -12.4524 -12.4524 -0.6635 -0.6635 -0.2883 -0.2883 4.6841 4.6841 5.2292 5.2292 5.4582 5.4582 5.5299 5.5299 5.5970 5.5970 5.7356 5.7356 5.9098 5.9098 6.1771 6.1771 6.3896 6.3896 6.4925 6.4925 6.9433 6.9433 7.3591 7.3591 9.4111 9.4111 10.4706 10.4706 10.7252 10.7252 11.1450 11.1450 11.6894 11.6894 12.5440 12.5440 k = 0.5000 0.2860 0.2620 ( 3140 PWs) bands (ev): -31.5420 -31.5420 -12.8307 -12.8307 -12.4592 -12.4592 -12.4512 -12.4512 -0.6792 -0.6792 -0.3222 -0.3222 4.6715 4.6715 5.2414 5.2414 5.4475 5.4475 5.5334 5.5334 5.6232 5.6232 5.7433 5.7433 5.9208 5.9208 6.1771 6.1771 6.4054 6.4054 6.5161 6.5161 7.0085 7.0085 7.3755 7.3755 9.4379 9.4379 10.5421 10.5421 10.8241 10.8241 11.0171 11.0171 11.6964 11.6964 12.6164 12.6164 k = 0.5000 0.2860 0.2433 ( 3144 PWs) bands (ev): -31.5422 -31.5422 -12.8301 -12.8301 -12.4591 -12.4591 -12.4501 -12.4501 -0.6943 -0.6943 -0.3538 -0.3538 4.6600 4.6600 5.2529 5.2529 5.4374 5.4374 5.5291 5.5291 5.6461 5.6461 5.7591 5.7591 5.9321 5.9321 6.1760 6.1760 6.4197 6.4197 6.5426 6.5426 7.0742 7.0742 7.3936 7.3936 9.4592 9.4592 10.6116 10.6116 10.8888 10.8888 10.9236 10.9236 11.6967 11.6967 12.6229 12.6229 k = 0.5000 0.2860 0.2246 ( 3144 PWs) bands (ev): -31.5423 -31.5423 -12.8296 -12.8296 -12.4589 -12.4589 -12.4490 -12.4490 -0.7087 -0.7087 -0.3832 -0.3832 4.6495 4.6495 5.2634 5.2634 5.4281 5.4281 5.5226 5.5226 5.6590 5.6590 5.7835 5.7835 5.9435 5.9435 6.1742 6.1742 6.4325 6.4325 6.5717 6.5717 7.1398 7.1398 7.4139 7.4139 9.4754 9.4754 10.6793 10.6793 10.7654 10.7654 11.0190 11.0190 11.6857 11.6857 12.5732 12.5732 k = 0.5000 0.2860 0.2059 ( 3144 PWs) bands (ev): -31.5423 -31.5423 -12.8291 -12.8291 -12.4588 -12.4588 -12.4480 -12.4480 -0.7224 -0.7224 -0.4103 -0.4103 4.6400 4.6400 5.2731 5.2731 5.4199 5.4199 5.5155 5.5155 5.6642 5.6642 5.8126 5.8126 5.9549 5.9549 6.1717 6.1717 6.4437 6.4437 6.6027 6.6027 7.2046 7.2046 7.4363 7.4363 9.4872 9.4872 10.6435 10.6435 10.7464 10.7464 11.1135 11.1135 11.6601 11.6601 12.4995 12.4995 k = 0.5000 0.2860 0.1871 ( 3140 PWs) bands (ev): -31.5424 -31.5424 -12.8287 -12.8287 -12.4587 -12.4587 -12.4471 -12.4471 -0.7352 -0.7352 -0.4351 -0.4351 4.6314 4.6314 5.2819 5.2819 5.4129 5.4129 5.5085 5.5085 5.6651 5.6651 5.8425 5.8425 5.9662 5.9662 6.1685 6.1685 6.4536 6.4536 6.6344 6.6344 7.2679 7.2679 7.4611 7.4611 9.4952 9.4952 10.5261 10.5261 10.8120 10.8120 11.2053 11.2053 11.6195 11.6195 12.4175 12.4175 k = 0.5000 0.2860 0.1684 ( 3142 PWs) bands (ev): -31.5425 -31.5425 -12.8283 -12.8283 -12.4586 -12.4586 -12.4463 -12.4463 -0.7471 -0.7471 -0.4576 -0.4576 4.6237 4.6237 5.2896 5.2896 5.4071 5.4071 5.5017 5.5017 5.6639 5.6639 5.8708 5.8708 5.9774 5.9774 6.1648 6.1648 6.4621 6.4621 6.6659 6.6659 7.3289 7.3289 7.4883 7.4883 9.5000 9.5000 10.4137 10.4137 10.8770 10.8770 11.2937 11.2937 11.5665 11.5665 12.3330 12.3330 k = 0.5000 0.2860 0.1497 ( 3140 PWs) bands (ev): -31.5426 -31.5426 -12.8279 -12.8279 -12.4585 -12.4585 -12.4455 -12.4455 -0.7579 -0.7579 -0.4777 -0.4777 4.6169 4.6169 5.2961 5.2961 5.4025 5.4025 5.4952 5.4952 5.6617 5.6617 5.8963 5.8963 5.9884 5.9884 6.1606 6.1606 6.4697 6.4697 6.6961 6.6961 7.3866 7.3866 7.5177 7.5177 9.5024 9.5024 10.3073 10.3073 10.9415 10.9415 11.3776 11.3776 11.5055 11.5055 12.2484 12.2484 k = 0.5000 0.2860 0.1310 ( 3138 PWs) bands (ev): -31.5426 -31.5426 -12.8276 -12.8276 -12.4584 -12.4584 -12.4448 -12.4448 -0.7677 -0.7677 -0.4955 -0.4955 4.6109 4.6109 5.3014 5.3014 5.3992 5.3992 5.4892 5.4892 5.6591 5.6591 5.9187 5.9187 5.9994 5.9994 6.1559 6.1559 6.4764 6.4764 6.7243 6.7243 7.4400 7.4400 7.5488 7.5488 9.5029 9.5029 10.2083 10.2083 11.0055 11.0055 11.4405 11.4405 11.4568 11.4568 12.1651 12.1651 k = 0.5000 0.2860 0.1123 ( 3146 PWs) bands (ev): -31.5427 -31.5427 -12.8273 -12.8273 -12.4583 -12.4583 -12.4442 -12.4442 -0.7763 -0.7763 -0.5110 -0.5110 4.6057 4.6057 5.3054 5.3054 5.3971 5.3971 5.4837 5.4837 5.6564 5.6564 5.9375 5.9375 6.0104 6.0104 6.1508 6.1508 6.4821 6.4821 6.7495 6.7495 7.4882 7.4882 7.5809 7.5809 9.5021 9.5021 10.1179 10.1179 11.0689 11.0689 11.3777 11.3777 11.5281 11.5281 12.0842 12.0842 k = 0.5000 0.2860 0.0936 ( 3146 PWs) bands (ev): -31.5427 -31.5427 -12.8270 -12.8270 -12.4583 -12.4583 -12.4437 -12.4437 -0.7836 -0.7836 -0.5241 -0.5241 4.6014 4.6014 5.3084 5.3084 5.3961 5.3961 5.4788 5.4788 5.6539 5.6539 5.9527 5.9527 6.0213 6.0213 6.1454 6.1454 6.4868 6.4868 6.7715 6.7715 7.5303 7.5303 7.6127 7.6127 9.5006 9.5006 10.0376 10.0376 11.1312 11.1312 11.3189 11.3189 11.5917 11.5917 12.0068 12.0068 k = 0.5000 0.2860 0.0749 ( 3138 PWs) bands (ev): -31.5428 -31.5428 -12.8268 -12.8268 -12.4582 -12.4582 -12.4432 -12.4432 -0.7897 -0.7897 -0.5348 -0.5348 4.5979 4.5979 5.3104 5.3104 5.3960 5.3960 5.4746 5.4746 5.6516 5.6516 5.9647 5.9647 6.0319 6.0319 6.1399 6.1399 6.4909 6.4909 6.7898 6.7898 7.5659 7.5659 7.6424 7.6424 9.4986 9.4986 9.9689 9.9689 11.1916 11.1916 11.2673 11.2673 11.6457 11.6457 11.9343 11.9343 k = 0.5000 0.2860 0.0561 ( 3148 PWs) bands (ev): -31.5428 -31.5428 -12.8267 -12.8267 -12.4582 -12.4582 -12.4429 -12.4429 -0.7945 -0.7945 -0.5431 -0.5431 4.5951 4.5951 5.3116 5.3116 5.3964 5.3964 5.4711 5.4711 5.6497 5.6497 5.9734 5.9734 6.0415 6.0415 6.1345 6.1345 6.4940 6.4940 6.8041 6.8041 7.5943 7.5943 7.6679 7.6679 9.4967 9.4967 9.9134 9.9134 11.2250 11.2250 11.2482 11.2482 11.6879 11.6879 11.8696 11.8696 k = 0.5000 0.2860 0.0374 ( 3148 PWs) bands (ev): -31.5428 -31.5428 -12.8266 -12.8266 -12.4581 -12.4581 -12.4427 -12.4427 -0.7980 -0.7980 -0.5491 -0.5491 4.5930 4.5930 5.3123 5.3123 5.3970 5.3970 5.4686 5.4686 5.6484 5.6484 5.9794 5.9794 6.0497 6.0497 6.1296 6.1296 6.4961 6.4961 6.8144 6.8144 7.6152 7.6152 7.6876 7.6876 9.4951 9.4951 9.8724 9.8724 11.1936 11.1936 11.2976 11.2976 11.7146 11.7146 11.8188 11.8188 k = 0.5000 0.2860 0.0187 ( 3152 PWs) bands (ev): -31.5429 -31.5429 -12.8265 -12.8265 -12.4581 -12.4581 -12.4426 -12.4426 -0.8000 -0.8000 -0.5527 -0.5527 4.5918 4.5918 5.3127 5.3127 5.3975 5.3975 5.4670 5.4670 5.6475 5.6475 5.9828 5.9828 6.0552 6.0552 6.1261 6.1261 6.4974 6.4974 6.8205 6.8205 7.6280 7.6280 7.7000 7.7000 9.4941 9.4941 9.8473 9.8473 11.1743 11.1743 11.3333 11.3333 11.7208 11.7208 11.7924 11.7924 k = 0.5000 0.2860 0.0000 ( 3156 PWs) bands (ev): -31.5429 -31.5429 -12.8265 -12.8265 -12.4581 -12.4581 -12.4425 -12.4425 -0.8007 -0.8007 -0.5539 -0.5539 4.5914 4.5914 5.3128 5.3128 5.3977 5.3977 5.4663 5.4663 5.6472 5.6472 5.9839 5.9839 6.0572 6.0572 6.1248 6.1248 6.4978 6.4978 6.8226 6.8226 7.6324 7.6324 7.7042 7.7042 9.4938 9.4938 9.8389 9.8389 11.1678 11.1678 11.3468 11.3468 11.7175 11.7175 11.7874 11.7874 k = 0.0000 0.0000 1.0069 ( 3088 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4606 -12.4606 -0.3625 -0.3625 1.7200 1.7200 3.8995 3.8995 4.2089 4.2089 5.6968 5.6968 5.7161 5.7161 5.8105 5.8105 5.8818 5.8818 6.0099 6.0099 6.0550 6.0550 6.1225 6.1225 6.3604 6.3604 6.3631 6.3631 6.9023 6.9023 7.1837 7.1837 7.3544 7.3544 8.1276 8.1276 11.1386 11.1386 12.5789 12.5789 12.7929 12.7929 k = 0.0156 0.0089 1.0069 ( 3088 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4606 -12.4606 -0.3624 -0.3624 1.7199 1.7199 3.9001 3.9001 4.2079 4.2079 5.6970 5.6970 5.7164 5.7164 5.8105 5.8105 5.8818 5.8818 6.0091 6.0091 6.0503 6.0503 6.1286 6.1286 6.3603 6.3603 6.3632 6.3632 6.9038 6.9038 7.1835 7.1835 7.3550 7.3550 8.1246 8.1246 11.1281 11.1281 12.5945 12.5945 12.7979 12.7979 k = 0.0312 0.0179 1.0069 ( 3098 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3624 -0.3624 1.7197 1.7197 3.9018 3.9018 4.2051 4.2051 5.6975 5.6975 5.7171 5.7171 5.8103 5.8103 5.8818 5.8818 6.0064 6.0064 6.0403 6.0403 6.1434 6.1434 6.3600 6.3600 6.3633 6.3633 6.9082 6.9082 7.1831 7.1831 7.3568 7.3568 8.1155 8.1155 11.0980 11.0980 12.6399 12.6399 12.8128 12.8128 k = 0.0469 0.0268 1.0069 ( 3100 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3623 -0.3623 1.7192 1.7192 3.9048 3.9048 4.2005 4.2005 5.6983 5.6983 5.7183 5.7183 5.8100 5.8100 5.8818 5.8818 6.0003 6.0003 6.0311 6.0311 6.1620 6.1620 6.3598 6.3598 6.3636 6.3636 6.9153 6.9153 7.1824 7.1824 7.3599 7.3599 8.1007 8.1007 11.0521 11.0521 12.7112 12.7112 12.8373 12.8373 k = 0.0625 0.0358 1.0069 ( 3098 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3621 -0.3621 1.7187 1.7187 3.9090 3.9090 4.1941 4.1941 5.6994 5.6994 5.7200 5.7200 5.8096 5.8096 5.8818 5.8818 5.9902 5.9902 6.0255 6.0255 6.1824 6.1824 6.3595 6.3595 6.3639 6.3639 6.9251 6.9251 7.1815 7.1815 7.3643 7.3643 8.0804 8.0804 10.9952 10.9952 12.8036 12.8036 12.8711 12.8711 k = 0.0781 0.0447 1.0069 ( 3094 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3620 -0.3620 1.7180 1.7180 3.9143 3.9143 4.1861 4.1861 5.7009 5.7009 5.7220 5.7220 5.8092 5.8092 5.8819 5.8819 5.9776 5.9776 6.0227 6.0227 6.2034 6.2034 6.3593 6.3593 6.3644 6.3644 6.9373 6.9373 7.1802 7.1802 7.3703 7.3703 8.0550 8.0550 10.9316 10.9316 12.9122 12.9122 12.9138 12.9138 k = 0.0938 0.0536 1.0069 ( 3098 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3618 -0.3618 1.7172 1.7172 3.9208 3.9208 4.1766 4.1766 5.7025 5.7025 5.7241 5.7241 5.8088 5.8088 5.8818 5.8818 5.9644 5.9644 6.0212 6.0212 6.2244 6.2244 6.3590 6.3590 6.3648 6.3648 6.9516 6.9516 7.1786 7.1786 7.3781 7.3781 8.0250 8.0250 10.8652 10.8652 12.9641 12.9641 13.0337 13.0337 k = 0.1094 0.0626 1.0069 ( 3110 PWs) bands (ev): -31.5378 -31.5378 -12.8515 -12.8515 -12.4910 -12.4910 -12.4608 -12.4608 -0.3616 -0.3616 1.7163 1.7163 3.9283 3.9283 4.1658 4.1658 5.7044 5.7044 5.7263 5.7263 5.8083 5.8083 5.8818 5.8818 5.9516 5.9516 6.0204 6.0204 6.2448 6.2448 6.3586 6.3586 6.3652 6.3652 6.9676 6.9676 7.1766 7.1766 7.3878 7.3878 7.9909 7.9909 10.7989 10.7989 13.0218 13.0218 13.1635 13.1635 k = 0.1250 0.0715 1.0069 ( 3110 PWs) bands (ev): -31.5378 -31.5378 -12.8515 -12.8515 -12.4910 -12.4910 -12.4608 -12.4608 -0.3614 -0.3614 1.7154 1.7154 3.9369 3.9369 4.1539 4.1539 5.7066 5.7066 5.7284 5.7284 5.8078 5.8078 5.8817 5.8817 5.9399 5.9399 6.0198 6.0198 6.2644 6.2644 6.3583 6.3583 6.3658 6.3658 6.9848 6.9848 7.1742 7.1742 7.3999 7.3999 7.9535 7.9535 10.7350 10.7350 13.0859 13.0859 13.2985 13.2985 k = 0.1406 0.0804 1.0069 ( 3094 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3611 -0.3611 1.7145 1.7145 3.9464 3.9464 4.1409 4.1409 5.7089 5.7089 5.7303 5.7303 5.8074 5.8074 5.8816 5.8816 5.9293 5.9293 6.0196 6.0196 6.2826 6.2826 6.3582 6.3582 6.3666 6.3666 7.0027 7.0027 7.1713 7.1713 7.4147 7.4147 7.9134 7.9134 10.6752 10.6752 13.1553 13.1553 13.4340 13.4340 k = 0.1562 0.0894 1.0069 ( 3096 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3609 -0.3609 1.7137 1.7137 3.9570 3.9570 4.1272 4.1272 5.7114 5.7114 5.7317 5.7317 5.8070 5.8070 5.8814 5.8814 5.9201 5.9201 6.0193 6.0193 6.2990 6.2990 6.3579 6.3579 6.3675 6.3675 7.0206 7.0206 7.1680 7.1680 7.4324 7.4324 7.8711 7.8711 10.6210 10.6210 13.2291 13.2291 13.5626 13.5626 k = 0.1719 0.0983 1.0069 ( 3088 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3607 -0.3607 1.7129 1.7129 3.9684 3.9684 4.1129 4.1129 5.7141 5.7141 5.7326 5.7326 5.8067 5.8067 5.8811 5.8811 5.9124 5.9124 6.0192 6.0192 6.3132 6.3132 6.3577 6.3577 6.3687 6.3687 7.0381 7.0381 7.1643 7.1643 7.4534 7.4534 7.8275 7.8275 10.5734 10.5734 13.3061 13.3061 13.6696 13.6696 k = 0.1875 0.1073 1.0069 ( 3092 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3606 -0.3606 1.7122 1.7122 3.9806 3.9806 4.0981 4.0981 5.7167 5.7167 5.7329 5.7329 5.8065 5.8065 5.8805 5.8805 5.9062 5.9062 6.0190 6.0190 6.3249 6.3249 6.3574 6.3574 6.3701 6.3701 7.0543 7.0543 7.1601 7.1601 7.4779 7.4779 7.7832 7.7832 10.5334 10.5334 13.3853 13.3853 13.7358 13.7358 k = 0.2031 0.1162 1.0069 ( 3088 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4607 -12.4607 -0.3604 -0.3604 1.7116 1.7116 3.9936 3.9936 4.0831 4.0831 5.7194 5.7194 5.7327 5.7327 5.8064 5.8064 5.8797 5.8797 5.9017 5.9017 6.0189 6.0189 6.3337 6.3337 6.3573 6.3573 6.3719 6.3719 7.0687 7.0687 7.1556 7.1556 7.5058 7.5058 7.7390 7.7390 10.5015 10.5015 13.4654 13.4654 13.7659 13.7659 k = 0.2188 0.1251 1.0069 ( 3096 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4608 -12.4608 -0.3603 -0.3603 1.7112 1.7112 4.0072 4.0072 4.0679 4.0679 5.7219 5.7219 5.7319 5.7319 5.8064 5.8064 5.8789 5.8789 5.8986 5.8986 6.0188 6.0188 6.3396 6.3396 6.3569 6.3569 6.3737 6.3737 7.0804 7.0804 7.1512 7.1512 7.5372 7.5372 7.6957 7.6957 10.4784 10.4784 13.5452 13.5452 13.7787 13.7787 k = 0.2344 0.1341 1.0069 ( 3100 PWs) bands (ev): -31.5377 -31.5377 -12.8514 -12.8514 -12.4909 -12.4909 -12.4608 -12.4608 -0.3603 -0.3603 1.7110 1.7110 4.0212 4.0212 4.0529 4.0529 5.7238 5.7238 5.7310 5.7310 5.8064 5.8064 5.8783 5.8783 5.8969 5.8969 6.0188 6.0188 6.3430 6.3430 6.3567 6.3567 6.3751 6.3751 7.0885 7.0885 7.1476 7.1476 7.5710 7.5710 7.6545 7.6545 10.4644 10.4644 13.6237 13.6237 13.7733 13.7733 k = 0.2500 0.1430 1.0069 ( 3108 PWs) bands (ev): -31.5378 -31.5378 -12.8515 -12.8515 -12.4909 -12.4909 -12.4608 -12.4608 -0.3603 -0.3603 1.7109 1.7109 4.0342 4.0342 4.0396 4.0396 5.7245 5.7245 5.7305 5.7305 5.8064 5.8064 5.8779 5.8779 5.8963 5.8963 6.0187 6.0187 6.3441 6.3441 6.3565 6.3565 6.3756 6.3756 7.0914 7.0914 7.1461 7.1461 7.5966 7.5966 7.6265 7.6265 10.4597 10.4597 13.6996 13.6996 13.7013 13.7013 Writing output data file CaxCuGex2.save init_run : 0.28s CPU 2.63s WALL ( 1 calls) electrons : 207.62s CPU 211.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 207.62s CPU 211.75s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 348 calls) cegterg : 190.88s CPU 193.15s WALL ( 623 calls) Called by sum_band: Called by *egterg: h_psi : 133.21s CPU 135.32s WALL ( 9788 calls) s_psi : 5.00s CPU 4.99s WALL ( 9788 calls) g_psi : 0.18s CPU 0.21s WALL ( 8817 calls) cdiaghg : 53.42s CPU 53.64s WALL ( 9165 calls) cegterg:over : 5.06s CPU 5.15s WALL ( 8817 calls) cegterg:upda : 3.84s CPU 3.88s WALL ( 8817 calls) cegterg:last : 2.45s CPU 2.54s WALL ( 1645 calls) cdiaghg:chol : 2.78s CPU 2.96s WALL ( 9165 calls) cdiaghg:inve : 1.84s CPU 1.88s WALL ( 9165 calls) cdiaghg:para : 3.10s CPU 3.18s WALL ( 18330 calls) Called by h_psi: h_psi:vloc : 121.90s CPU 123.98s WALL ( 9788 calls) h_psi:vnl : 11.07s CPU 11.13s WALL ( 9788 calls) add_vuspsi : 5.77s CPU 5.82s WALL ( 9788 calls) General routines calbec : 5.28s CPU 5.29s WALL ( 9788 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 115.38s CPU 117.09s WALL ( 931544 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.59s WALL ( 696 calls) Parallel routines fft_scatter : 33.62s CPU 34.18s WALL ( 931567 calls) PWSCF : 3m42.26s CPU 4m27.25s WALL This run was terminated on: 16:46:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=