Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:46: 9 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: ./CaxFeAsx2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 68 45 13 1248 674 112 Max 69 46 14 1250 693 114 Sum 2455 1637 497 44969 24663 4065 bravais-lattice index = 14 lattice parameter (alat) = 11.9706 a.u. unit-cell volume = 586.7243 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 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)= 11.970589 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.809970 celldm(5)= -0.809970 celldm(6)= 0.619939 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.619939 0.784650 0.000000 ) a(3) = ( -0.809970 -0.392325 0.435925 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.790084 1.146987 ) b(2) = ( 0.000000 1.274454 1.146987 ) b(3) = ( 0.000000 0.000000 2.293974 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Fe 8.00 55.84500 Fe( 1.00) Ca 10.00 40.07800 Ca( 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= 357 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0000000 0.0000000 0.0201226), wk = 0.0028011 k( 3) = ( 0.0000000 0.0000000 0.0402452), wk = 0.0028011 k( 4) = ( 0.0000000 0.0000000 0.0603677), wk = 0.0028011 k( 5) = ( 0.0000000 0.0000000 0.0804903), wk = 0.0028011 k( 6) = ( 0.0000000 0.0000000 0.1006129), wk = 0.0028011 k( 7) = ( 0.0000000 0.0000000 0.1207355), wk = 0.0028011 k( 8) = ( 0.0000000 0.0000000 0.1408580), wk = 0.0028011 k( 9) = ( 0.0000000 0.0000000 0.1609806), wk = 0.0028011 k( 10) = ( 0.0000000 0.0000000 0.1811032), wk = 0.0028011 k( 11) = ( 0.0000000 0.0000000 0.2012258), wk = 0.0028011 k( 12) = ( 0.0000000 0.0000000 0.2213483), wk = 0.0028011 k( 13) = ( 0.0000000 0.0000000 0.2414709), wk = 0.0028011 k( 14) = ( 0.0000000 0.0000000 0.2615935), wk = 0.0028011 k( 15) = ( 0.0000000 0.0000000 0.2817161), wk = 0.0028011 k( 16) = ( 0.0000000 0.0000000 0.3018386), wk = 0.0028011 k( 17) = ( 0.0000000 0.0000000 0.3219612), wk = 0.0028011 k( 18) = ( 0.0000000 0.0000000 0.3420838), wk = 0.0028011 k( 19) = ( 0.0000000 0.0000000 0.3622064), wk = 0.0028011 k( 20) = ( 0.0000000 0.0000000 0.3823289), wk = 0.0028011 k( 21) = ( 0.0000000 0.0000000 0.4024515), wk = 0.0028011 k( 22) = ( 0.0000000 0.0000000 0.4225741), wk = 0.0028011 k( 23) = ( 0.0000000 0.0000000 0.4426967), wk = 0.0028011 k( 24) = ( 0.0000000 0.0000000 0.4628192), wk = 0.0028011 k( 25) = ( 0.0000000 0.0000000 0.4829418), wk = 0.0028011 k( 26) = ( 0.0000000 0.0000000 0.5030644), wk = 0.0028011 k( 27) = ( 0.0000000 0.0000000 0.5231870), wk = 0.0028011 k( 28) = ( 0.0000000 0.0000000 0.5433095), wk = 0.0028011 k( 29) = ( 0.0000000 0.0000000 0.5634321), wk = 0.0028011 k( 30) = ( 0.0000000 0.0000000 0.5835547), wk = 0.0028011 k( 31) = ( 0.0000000 0.0000000 0.6036772), wk = 0.0028011 k( 32) = ( 0.0000000 0.0000000 0.6237998), wk = 0.0028011 k( 33) = ( 0.0000000 0.0000000 0.6439224), wk = 0.0028011 k( 34) = ( 0.0000000 0.0000000 0.6640450), wk = 0.0028011 k( 35) = ( 0.0000000 0.0000000 0.6841675), wk = 0.0028011 k( 36) = ( 0.0000000 0.0000000 0.7042901), wk = 0.0028011 k( 37) = ( 0.0000000 0.0000000 0.7244127), wk = 0.0028011 k( 38) = ( 0.0000000 0.0000000 0.7445353), wk = 0.0028011 k( 39) = ( 0.0000000 0.0000000 0.7646578), wk = 0.0028011 k( 40) = ( 0.0000000 0.0000000 0.7847804), wk = 0.0028011 k( 41) = ( 0.0000000 0.0000000 0.8049030), wk = 0.0028011 k( 42) = ( 0.0000000 0.0000000 0.8250256), wk = 0.0028011 k( 43) = ( 0.0000000 0.0000000 0.8451482), wk = 0.0028011 k( 44) = ( 0.0000000 0.0000000 0.8652707), wk = 0.0028011 k( 45) = ( 0.0000000 0.0000000 0.8853933), wk = 0.0028011 k( 46) = ( 0.0000000 0.0000000 0.9055159), wk = 0.0028011 k( 47) = ( 0.0000000 0.0000000 0.9256385), wk = 0.0028011 k( 48) = ( 0.0000000 0.0000000 0.9457610), wk = 0.0028011 k( 49) = ( 0.0000000 0.0000000 0.9658836), wk = 0.0028011 k( 50) = ( 0.0000000 0.0000000 0.9860062), wk = 0.0028011 k( 51) = ( 0.0000000 0.0000000 1.0061288), wk = 0.0028011 k( 52) = ( 0.0000000 0.0000000 1.0262513), wk = 0.0028011 k( 53) = ( 0.0000000 0.0000000 1.0463739), wk = 0.0028011 k( 54) = ( 0.0000000 0.0000000 1.0664965), wk = 0.0028011 k( 55) = ( 0.0000000 0.0000000 1.0866191), wk = 0.0028011 k( 56) = ( 0.0000000 0.0000000 1.1067416), wk = 0.0028011 k( 57) = ( 0.0000000 0.0000000 1.1268642), wk = 0.0028011 k( 58) = ( 0.0000000 0.0000000 1.1469868), wk = 0.0028011 k( 59) = ( 0.0000000 0.0000000 1.1469868), wk = 0.0028011 k( 60) = ( -0.0083791 0.0172989 1.1469868), wk = 0.0028011 k( 61) = ( -0.0167582 0.0345978 1.1469868), wk = 0.0028011 k( 62) = ( -0.0251372 0.0518968 1.1469868), wk = 0.0028011 k( 63) = ( -0.0335163 0.0691957 1.1469868), wk = 0.0028011 k( 64) = ( -0.0418954 0.0864946 1.1469868), wk = 0.0028011 k( 65) = ( -0.0502745 0.1037936 1.1469868), wk = 0.0028011 k( 66) = ( -0.0586536 0.1210925 1.1469868), wk = 0.0028011 k( 67) = ( -0.0586536 0.1210925 1.1469868), wk = 0.0028011 k( 68) = ( -0.0647834 0.1337477 1.1329252), wk = 0.0028011 k( 69) = ( -0.0709132 0.1464030 1.1188635), wk = 0.0028011 k( 70) = ( -0.0770430 0.1590582 1.1048019), wk = 0.0028011 k( 71) = ( -0.0831728 0.1717134 1.0907403), wk = 0.0028011 k( 72) = ( -0.0893026 0.1843686 1.0766787), wk = 0.0028011 k( 73) = ( -0.0954324 0.1970238 1.0626170), wk = 0.0028011 k( 74) = ( -0.1015623 0.2096791 1.0485554), wk = 0.0028011 k( 75) = ( -0.1076921 0.2223343 1.0344938), wk = 0.0028011 k( 76) = ( -0.1138219 0.2349895 1.0204322), wk = 0.0028011 k( 77) = ( -0.1199517 0.2476448 1.0063705), wk = 0.0028011 k( 78) = ( -0.1260815 0.2603000 0.9923089), wk = 0.0028011 k( 79) = ( -0.1322113 0.2729552 0.9782473), wk = 0.0028011 k( 80) = ( -0.1383411 0.2856104 0.9641857), wk = 0.0028011 k( 81) = ( -0.1444709 0.2982657 0.9501240), wk = 0.0028011 k( 82) = ( -0.1506008 0.3109209 0.9360624), wk = 0.0028011 k( 83) = ( -0.1567306 0.3235761 0.9220008), wk = 0.0028011 k( 84) = ( -0.1628604 0.3362313 0.9079392), wk = 0.0028011 k( 85) = ( -0.1689902 0.3488865 0.8938775), wk = 0.0028011 k( 86) = ( -0.1751200 0.3615418 0.8798159), wk = 0.0028011 k( 87) = ( -0.1812498 0.3741970 0.8657543), wk = 0.0028011 k( 88) = ( -0.1873796 0.3868522 0.8516927), wk = 0.0028011 k( 89) = ( -0.1935094 0.3995075 0.8376310), wk = 0.0028011 k( 90) = ( -0.1996392 0.4121627 0.8235694), wk = 0.0028011 k( 91) = ( -0.2057691 0.4248179 0.8095078), wk = 0.0028011 k( 92) = ( -0.2118989 0.4374731 0.7954461), wk = 0.0028011 k( 93) = ( -0.2180287 0.4501283 0.7813845), wk = 0.0028011 k( 94) = ( -0.2241585 0.4627836 0.7673229), wk = 0.0028011 k( 95) = ( -0.2302883 0.4754388 0.7532613), wk = 0.0028011 k( 96) = ( -0.2364181 0.4880940 0.7391997), wk = 0.0028011 k( 97) = ( -0.2425479 0.5007493 0.7251380), wk = 0.0028011 k( 98) = ( -0.2486777 0.5134045 0.7110764), wk = 0.0028011 k( 99) = ( -0.2548075 0.5260597 0.6970148), wk = 0.0028011 k( 100) = ( -0.2609374 0.5387149 0.6829531), wk = 0.0028011 k( 101) = ( -0.2670672 0.5513701 0.6688915), wk = 0.0028011 k( 102) = ( -0.2731970 0.5640254 0.6548299), wk = 0.0028011 k( 103) = ( -0.2793268 0.5766806 0.6407683), wk = 0.0028011 k( 104) = ( -0.2793268 0.5766806 0.6407683), wk = 0.0028011 k( 105) = ( -0.2731195 0.5638655 0.6265290), wk = 0.0028011 k( 106) = ( -0.2669123 0.5510503 0.6122897), wk = 0.0028011 k( 107) = ( -0.2607050 0.5382352 0.5980504), wk = 0.0028011 k( 108) = ( -0.2544977 0.5254201 0.5838111), wk = 0.0028011 k( 109) = ( -0.2482905 0.5126050 0.5695718), wk = 0.0028011 k( 110) = ( -0.2420832 0.4997899 0.5553325), wk = 0.0028011 k( 111) = ( -0.2358760 0.4869747 0.5410932), wk = 0.0028011 k( 112) = ( -0.2296687 0.4741596 0.5268539), wk = 0.0028011 k( 113) = ( -0.2234614 0.4613445 0.5126146), wk = 0.0028011 k( 114) = ( -0.2172542 0.4485294 0.4983753), wk = 0.0028011 k( 115) = ( -0.2110469 0.4357142 0.4841360), wk = 0.0028011 k( 116) = ( -0.2048396 0.4228991 0.4698967), wk = 0.0028011 k( 117) = ( -0.1986324 0.4100840 0.4556574), wk = 0.0028011 k( 118) = ( -0.1924251 0.3972689 0.4414181), wk = 0.0028011 k( 119) = ( -0.1862179 0.3844537 0.4271788), wk = 0.0028011 k( 120) = ( -0.1800106 0.3716386 0.4129396), wk = 0.0028011 k( 121) = ( -0.1738033 0.3588235 0.3987002), wk = 0.0028011 k( 122) = ( -0.1675961 0.3460084 0.3844610), wk = 0.0028011 k( 123) = ( -0.1613888 0.3331932 0.3702217), wk = 0.0028011 k( 124) = ( -0.1551816 0.3203781 0.3559824), wk = 0.0028011 k( 125) = ( -0.1489743 0.3075630 0.3417431), wk = 0.0028011 k( 126) = ( -0.1427670 0.2947479 0.3275038), wk = 0.0028011 k( 127) = ( -0.1365598 0.2819327 0.3132645), wk = 0.0028011 k( 128) = ( -0.1303525 0.2691176 0.2990252), wk = 0.0028011 k( 129) = ( -0.1241452 0.2563025 0.2847859), wk = 0.0028011 k( 130) = ( -0.1179380 0.2434874 0.2705466), wk = 0.0028011 k( 131) = ( -0.1117307 0.2306723 0.2563073), wk = 0.0028011 k( 132) = ( -0.1055235 0.2178571 0.2420680), wk = 0.0028011 k( 133) = ( -0.0993162 0.2050420 0.2278287), wk = 0.0028011 k( 134) = ( -0.0931089 0.1922269 0.2135894), wk = 0.0028011 k( 135) = ( -0.0869017 0.1794117 0.1993501), wk = 0.0028011 k( 136) = ( -0.0806944 0.1665966 0.1851108), wk = 0.0028011 k( 137) = ( -0.0744871 0.1537815 0.1708715), wk = 0.0028011 k( 138) = ( -0.0682799 0.1409664 0.1566322), wk = 0.0028011 k( 139) = ( -0.0620726 0.1281512 0.1423929), wk = 0.0028011 k( 140) = ( -0.0558654 0.1153361 0.1281537), wk = 0.0028011 k( 141) = ( -0.0496581 0.1025210 0.1139144), wk = 0.0028011 k( 142) = ( -0.0434508 0.0897059 0.0996751), wk = 0.0028011 k( 143) = ( -0.0372436 0.0768907 0.0854358), wk = 0.0028011 k( 144) = ( -0.0310363 0.0640756 0.0711965), wk = 0.0028011 k( 145) = ( -0.0248290 0.0512605 0.0569572), wk = 0.0028011 k( 146) = ( -0.0186218 0.0384454 0.0427179), wk = 0.0028011 k( 147) = ( -0.0124145 0.0256302 0.0284786), wk = 0.0028011 k( 148) = ( -0.0062073 0.0128151 0.0142393), wk = 0.0028011 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 151) = ( 0.0178571 0.0086495 -0.0000000), wk = 0.0028011 k( 152) = ( 0.0357143 0.0172989 -0.0000000), wk = 0.0028011 k( 153) = ( 0.0535714 0.0259484 -0.0000000), wk = 0.0028011 k( 154) = ( 0.0714286 0.0345979 -0.0000000), wk = 0.0028011 k( 155) = ( 0.0892857 0.0432473 -0.0000000), wk = 0.0028011 k( 156) = ( 0.1071429 0.0518968 -0.0000000), wk = 0.0028011 k( 157) = ( 0.1250000 0.0605463 -0.0000000), wk = 0.0028011 k( 158) = ( 0.1428571 0.0691957 -0.0000000), wk = 0.0028011 k( 159) = ( 0.1607143 0.0778452 -0.0000000), wk = 0.0028011 k( 160) = ( 0.1785714 0.0864946 -0.0000000), wk = 0.0028011 k( 161) = ( 0.1964286 0.0951441 -0.0000000), wk = 0.0028011 k( 162) = ( 0.2142857 0.1037936 -0.0000000), wk = 0.0028011 k( 163) = ( 0.2321429 0.1124430 -0.0000000), wk = 0.0028011 k( 164) = ( 0.2500000 0.1210925 -0.0000000), wk = 0.0028011 k( 165) = ( 0.2678571 0.1297420 -0.0000000), wk = 0.0028011 k( 166) = ( 0.2857143 0.1383914 -0.0000000), wk = 0.0028011 k( 167) = ( 0.3035714 0.1470409 -0.0000000), wk = 0.0028011 k( 168) = ( 0.3214286 0.1556904 -0.0000000), wk = 0.0028011 k( 169) = ( 0.3392857 0.1643398 -0.0000000), wk = 0.0028011 k( 170) = ( 0.3571429 0.1729893 -0.0000000), wk = 0.0028011 k( 171) = ( 0.3750000 0.1816388 -0.0000000), wk = 0.0028011 k( 172) = ( 0.3928571 0.1902882 -0.0000000), wk = 0.0028011 k( 173) = ( 0.4107143 0.1989377 -0.0000000), wk = 0.0028011 k( 174) = ( 0.4285714 0.2075871 -0.0000000), wk = 0.0028011 k( 175) = ( 0.4464286 0.2162366 -0.0000000), wk = 0.0028011 k( 176) = ( 0.4642857 0.2248861 -0.0000000), wk = 0.0028011 k( 177) = ( 0.4821429 0.2335355 -0.0000000), wk = 0.0028011 k( 178) = ( 0.5000000 0.2421850 -0.0000000), wk = 0.0028011 k( 179) = ( 0.5000000 0.2421850 -0.0000000), wk = 0.0028011 k( 180) = ( 0.4938702 0.2548402 0.0140616), wk = 0.0028011 k( 181) = ( 0.4877404 0.2674954 0.0281232), wk = 0.0028011 k( 182) = ( 0.4816106 0.2801507 0.0421849), wk = 0.0028011 k( 183) = ( 0.4754808 0.2928059 0.0562465), wk = 0.0028011 k( 184) = ( 0.4693509 0.3054611 0.0703081), wk = 0.0028011 k( 185) = ( 0.4632211 0.3181164 0.0843698), wk = 0.0028011 k( 186) = ( 0.4570913 0.3307716 0.0984314), wk = 0.0028011 k( 187) = ( 0.4509615 0.3434268 0.1124930), wk = 0.0028011 k( 188) = ( 0.4448317 0.3560820 0.1265546), wk = 0.0028011 k( 189) = ( 0.4387019 0.3687372 0.1406162), wk = 0.0028011 k( 190) = ( 0.4325721 0.3813925 0.1546779), wk = 0.0028011 k( 191) = ( 0.4264423 0.3940477 0.1687395), wk = 0.0028011 k( 192) = ( 0.4203125 0.4067029 0.1828011), wk = 0.0028011 k( 193) = ( 0.4141826 0.4193582 0.1968628), wk = 0.0028011 k( 194) = ( 0.4080528 0.4320134 0.2109244), wk = 0.0028011 k( 195) = ( 0.4019230 0.4446686 0.2249860), wk = 0.0028011 k( 196) = ( 0.3957932 0.4573238 0.2390476), wk = 0.0028011 k( 197) = ( 0.3896634 0.4699791 0.2531093), wk = 0.0028011 k( 198) = ( 0.3835336 0.4826343 0.2671709), wk = 0.0028011 k( 199) = ( 0.3774038 0.4952895 0.2812325), wk = 0.0028011 k( 200) = ( 0.3712740 0.5079447 0.2952941), wk = 0.0028011 k( 201) = ( 0.3651442 0.5206000 0.3093558), wk = 0.0028011 k( 202) = ( 0.3590143 0.5332552 0.3234174), wk = 0.0028011 k( 203) = ( 0.3528845 0.5459104 0.3374790), wk = 0.0028011 k( 204) = ( 0.3467547 0.5585656 0.3515406), wk = 0.0028011 k( 205) = ( 0.3406249 0.5712209 0.3656023), wk = 0.0028011 k( 206) = ( 0.3344951 0.5838761 0.3796639), wk = 0.0028011 k( 207) = ( 0.3283653 0.5965313 0.3937255), wk = 0.0028011 k( 208) = ( 0.3222355 0.6091865 0.4077871), wk = 0.0028011 k( 209) = ( 0.3161057 0.6218417 0.4218488), wk = 0.0028011 k( 210) = ( 0.3099758 0.6344970 0.4359104), wk = 0.0028011 k( 211) = ( 0.3038460 0.6471522 0.4499720), wk = 0.0028011 k( 212) = ( 0.2977162 0.6598074 0.4640336), wk = 0.0028011 k( 213) = ( 0.2915864 0.6724627 0.4780953), wk = 0.0028011 k( 214) = ( 0.2854566 0.6851179 0.4921569), wk = 0.0028011 k( 215) = ( 0.2793268 0.6977731 0.5062185), wk = 0.0028011 k( 216) = ( 0.2793268 0.6977731 0.5062185), wk = 0.0028011 k( 217) = ( 0.2607050 0.6937367 0.5107035), wk = 0.0028011 k( 218) = ( 0.2420832 0.6897003 0.5151885), wk = 0.0028011 k( 219) = ( 0.2234614 0.6856639 0.5196735), wk = 0.0028011 k( 220) = ( 0.2048396 0.6816274 0.5241585), wk = 0.0028011 k( 221) = ( 0.1862179 0.6775910 0.5286435), wk = 0.0028011 k( 222) = ( 0.1675961 0.6735546 0.5331285), wk = 0.0028011 k( 223) = ( 0.1489743 0.6695182 0.5376135), wk = 0.0028011 k( 224) = ( 0.1303525 0.6654818 0.5420984), wk = 0.0028011 k( 225) = ( 0.1117307 0.6614453 0.5465834), wk = 0.0028011 k( 226) = ( 0.0931089 0.6574089 0.5510684), wk = 0.0028011 k( 227) = ( 0.0744871 0.6533725 0.5555534), wk = 0.0028011 k( 228) = ( 0.0558654 0.6493361 0.5600384), wk = 0.0028011 k( 229) = ( 0.0372436 0.6452997 0.5645234), wk = 0.0028011 k( 230) = ( 0.0186218 0.6412633 0.5690084), wk = 0.0028011 k( 231) = ( 0.0000000 0.6372269 0.5734934), wk = 0.0028011 k( 232) = ( 0.0000000 0.6372269 0.5734934), wk = 0.0028011 k( 233) = ( 0.0060976 0.6246382 0.5874810), wk = 0.0028011 k( 234) = ( 0.0121951 0.6120496 0.6014687), wk = 0.0028011 k( 235) = ( 0.0182927 0.5994609 0.6154563), wk = 0.0028011 k( 236) = ( 0.0243902 0.5868723 0.6294440), wk = 0.0028011 k( 237) = ( 0.0304878 0.5742837 0.6434316), wk = 0.0028011 k( 238) = ( 0.0365854 0.5616950 0.6574193), wk = 0.0028011 k( 239) = ( 0.0426829 0.5491063 0.6714069), wk = 0.0028011 k( 240) = ( 0.0487805 0.5365177 0.6853945), wk = 0.0028011 k( 241) = ( 0.0548780 0.5239291 0.6993822), wk = 0.0028011 k( 242) = ( 0.0609756 0.5113404 0.7133698), wk = 0.0028011 k( 243) = ( 0.0670732 0.4987518 0.7273575), wk = 0.0028011 k( 244) = ( 0.0731707 0.4861631 0.7413451), wk = 0.0028011 k( 245) = ( 0.0792683 0.4735745 0.7553328), wk = 0.0028011 k( 246) = ( 0.0853658 0.4609859 0.7693204), wk = 0.0028011 k( 247) = ( 0.0914634 0.4483972 0.7833080), wk = 0.0028011 k( 248) = ( 0.0975610 0.4358086 0.7972957), wk = 0.0028011 k( 249) = ( 0.1036585 0.4232199 0.8112833), wk = 0.0028011 k( 250) = ( 0.1097561 0.4106313 0.8252710), wk = 0.0028011 k( 251) = ( 0.1158537 0.3980426 0.8392586), wk = 0.0028011 k( 252) = ( 0.1219512 0.3854540 0.8532463), wk = 0.0028011 k( 253) = ( 0.1280488 0.3728654 0.8672339), wk = 0.0028011 k( 254) = ( 0.1341463 0.3602767 0.8812216), wk = 0.0028011 k( 255) = ( 0.1402439 0.3476881 0.8952092), wk = 0.0028011 k( 256) = ( 0.1463415 0.3350994 0.9091968), wk = 0.0028011 k( 257) = ( 0.1524390 0.3225108 0.9231845), wk = 0.0028011 k( 258) = ( 0.1585366 0.3099221 0.9371721), wk = 0.0028011 k( 259) = ( 0.1646342 0.2973335 0.9511598), wk = 0.0028011 k( 260) = ( 0.1707317 0.2847449 0.9651474), wk = 0.0028011 k( 261) = ( 0.1768293 0.2721562 0.9791351), wk = 0.0028011 k( 262) = ( 0.1829268 0.2595676 0.9931227), wk = 0.0028011 k( 263) = ( 0.1890244 0.2469789 1.0071103), wk = 0.0028011 k( 264) = ( 0.1951219 0.2343903 1.0210980), wk = 0.0028011 k( 265) = ( 0.2012195 0.2218016 1.0350856), wk = 0.0028011 k( 266) = ( 0.2073171 0.2092130 1.0490733), wk = 0.0028011 k( 267) = ( 0.2134146 0.1966244 1.0630609), wk = 0.0028011 k( 268) = ( 0.2195122 0.1840357 1.0770486), wk = 0.0028011 k( 269) = ( 0.2256098 0.1714471 1.0910362), wk = 0.0028011 k( 270) = ( 0.2317073 0.1588584 1.1050239), wk = 0.0028011 k( 271) = ( 0.2378049 0.1462698 1.1190115), wk = 0.0028011 k( 272) = ( 0.2439024 0.1336811 1.1329991), wk = 0.0028011 k( 273) = ( 0.2500000 0.1210925 1.1469868), wk = 0.0028011 k( 274) = ( 0.2500000 0.1210925 1.1469868), wk = 0.0028011 k( 275) = ( 0.2656250 0.1286608 1.1385774), wk = 0.0028011 k( 276) = ( 0.2812500 0.1362291 1.1301681), wk = 0.0028011 k( 277) = ( 0.2968750 0.1437973 1.1217587), wk = 0.0028011 k( 278) = ( 0.3125000 0.1513656 1.1133494), wk = 0.0028011 k( 279) = ( 0.3281250 0.1589339 1.1049400), wk = 0.0028011 k( 280) = ( 0.3437500 0.1665022 1.0965306), wk = 0.0028011 k( 281) = ( 0.3593750 0.1740705 1.0881213), wk = 0.0028011 k( 282) = ( 0.3750000 0.1816388 1.0797119), wk = 0.0028011 k( 283) = ( 0.3906250 0.1892070 1.0713025), wk = 0.0028011 k( 284) = ( 0.4062500 0.1967753 1.0628932), wk = 0.0028011 k( 285) = ( 0.4218750 0.2043436 1.0544838), wk = 0.0028011 k( 286) = ( 0.4375000 0.2119119 1.0460745), wk = 0.0028011 k( 287) = ( 0.4531250 0.2194802 1.0376651), wk = 0.0028011 k( 288) = ( 0.4687500 0.2270484 1.0292557), wk = 0.0028011 k( 289) = ( 0.4843750 0.2346167 1.0208464), wk = 0.0028011 k( 290) = ( 0.5000000 0.2421850 1.0124370), wk = 0.0028011 k( 291) = ( 0.5000000 0.2421850 1.0124370), wk = 0.0028011 k( 292) = ( 0.5000000 0.2421850 0.9925853), wk = 0.0028011 k( 293) = ( 0.5000000 0.2421850 0.9727336), wk = 0.0028011 k( 294) = ( 0.5000000 0.2421850 0.9528819), wk = 0.0028011 k( 295) = ( 0.5000000 0.2421850 0.9330302), wk = 0.0028011 k( 296) = ( 0.5000000 0.2421850 0.9131785), wk = 0.0028011 k( 297) = ( 0.5000000 0.2421850 0.8933268), wk = 0.0028011 k( 298) = ( 0.5000000 0.2421850 0.8734751), wk = 0.0028011 k( 299) = ( 0.5000000 0.2421850 0.8536234), wk = 0.0028011 k( 300) = ( 0.5000000 0.2421850 0.8337717), wk = 0.0028011 k( 301) = ( 0.5000000 0.2421850 0.8139200), wk = 0.0028011 k( 302) = ( 0.5000000 0.2421850 0.7940683), wk = 0.0028011 k( 303) = ( 0.5000000 0.2421850 0.7742166), wk = 0.0028011 k( 304) = ( 0.5000000 0.2421850 0.7543649), wk = 0.0028011 k( 305) = ( 0.5000000 0.2421850 0.7345131), wk = 0.0028011 k( 306) = ( 0.5000000 0.2421850 0.7146614), wk = 0.0028011 k( 307) = ( 0.5000000 0.2421850 0.6948097), wk = 0.0028011 k( 308) = ( 0.5000000 0.2421850 0.6749580), wk = 0.0028011 k( 309) = ( 0.5000000 0.2421850 0.6551063), wk = 0.0028011 k( 310) = ( 0.5000000 0.2421850 0.6352546), wk = 0.0028011 k( 311) = ( 0.5000000 0.2421850 0.6154029), wk = 0.0028011 k( 312) = ( 0.5000000 0.2421850 0.5955512), wk = 0.0028011 k( 313) = ( 0.5000000 0.2421850 0.5756995), wk = 0.0028011 k( 314) = ( 0.5000000 0.2421850 0.5558478), wk = 0.0028011 k( 315) = ( 0.5000000 0.2421850 0.5359961), wk = 0.0028011 k( 316) = ( 0.5000000 0.2421850 0.5161444), wk = 0.0028011 k( 317) = ( 0.5000000 0.2421850 0.4962927), wk = 0.0028011 k( 318) = ( 0.5000000 0.2421850 0.4764410), wk = 0.0028011 k( 319) = ( 0.5000000 0.2421850 0.4565892), wk = 0.0028011 k( 320) = ( 0.5000000 0.2421850 0.4367375), wk = 0.0028011 k( 321) = ( 0.5000000 0.2421850 0.4168858), wk = 0.0028011 k( 322) = ( 0.5000000 0.2421850 0.3970341), wk = 0.0028011 k( 323) = ( 0.5000000 0.2421850 0.3771824), wk = 0.0028011 k( 324) = ( 0.5000000 0.2421850 0.3573307), wk = 0.0028011 k( 325) = ( 0.5000000 0.2421850 0.3374790), wk = 0.0028011 k( 326) = ( 0.5000000 0.2421850 0.3176273), wk = 0.0028011 k( 327) = ( 0.5000000 0.2421850 0.2977756), wk = 0.0028011 k( 328) = ( 0.5000000 0.2421850 0.2779239), wk = 0.0028011 k( 329) = ( 0.5000000 0.2421850 0.2580722), wk = 0.0028011 k( 330) = ( 0.5000000 0.2421850 0.2382205), wk = 0.0028011 k( 331) = ( 0.5000000 0.2421850 0.2183688), wk = 0.0028011 k( 332) = ( 0.5000000 0.2421850 0.1985171), wk = 0.0028011 k( 333) = ( 0.5000000 0.2421850 0.1786654), wk = 0.0028011 k( 334) = ( 0.5000000 0.2421850 0.1588136), wk = 0.0028011 k( 335) = ( 0.5000000 0.2421850 0.1389619), wk = 0.0028011 k( 336) = ( 0.5000000 0.2421850 0.1191102), wk = 0.0028011 k( 337) = ( 0.5000000 0.2421850 0.0992585), wk = 0.0028011 k( 338) = ( 0.5000000 0.2421850 0.0794068), wk = 0.0028011 k( 339) = ( 0.5000000 0.2421850 0.0595551), wk = 0.0028011 k( 340) = ( 0.5000000 0.2421850 0.0397034), wk = 0.0028011 k( 341) = ( 0.5000000 0.2421850 0.0198517), wk = 0.0028011 k( 342) = ( 0.5000000 0.2421850 -0.0000000), wk = 0.0028011 k( 343) = ( 0.0000000 0.0000000 1.1469868), wk = 0.0028011 k( 344) = ( 0.0178571 0.0086495 1.1469868), wk = 0.0028011 k( 345) = ( 0.0357143 0.0172989 1.1469868), wk = 0.0028011 k( 346) = ( 0.0535714 0.0259484 1.1469868), wk = 0.0028011 k( 347) = ( 0.0714286 0.0345979 1.1469868), wk = 0.0028011 k( 348) = ( 0.0892857 0.0432473 1.1469868), wk = 0.0028011 k( 349) = ( 0.1071429 0.0518968 1.1469868), wk = 0.0028011 k( 350) = ( 0.1250000 0.0605463 1.1469868), wk = 0.0028011 k( 351) = ( 0.1428571 0.0691957 1.1469868), wk = 0.0028011 k( 352) = ( 0.1607143 0.0778452 1.1469868), wk = 0.0028011 k( 353) = ( 0.1785714 0.0864946 1.1469868), wk = 0.0028011 k( 354) = ( 0.1964286 0.0951441 1.1469868), wk = 0.0028011 k( 355) = ( 0.2142857 0.1037936 1.1469868), wk = 0.0028011 k( 356) = ( 0.2321429 0.1124430 1.1469868), wk = 0.0028011 k( 357) = ( 0.2500000 0.1210925 1.1469868), wk = 0.0028011 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0028011 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0028011 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028011 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0028011 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0028011 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028011 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0028011 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0028011 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028011 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0028011 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0028011 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028011 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0028011 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0028011 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028011 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0028011 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0028011 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028011 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028011 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0028011 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028011 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0028011 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0028011 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028011 k( 26) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0028011 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0028011 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028011 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0028011 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0028011 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028011 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0028011 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0028011 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028011 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0028011 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0028011 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028011 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0028011 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028011 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028011 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0028011 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0028011 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028011 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0028011 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0028011 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028011 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0028011 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0028011 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028011 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0028011 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0028011 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028011 k( 53) = ( 0.0000000 0.0000000 0.4561404), wk = 0.0028011 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0028011 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028011 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0028011 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0028011 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 60) = ( -0.0083791 0.0083791 0.5000000), wk = 0.0028011 k( 61) = ( -0.0167582 0.0167582 0.5000000), wk = 0.0028011 k( 62) = ( -0.0251372 0.0251372 0.5000000), wk = 0.0028011 k( 63) = ( -0.0335163 0.0335163 0.5000000), wk = 0.0028011 k( 64) = ( -0.0418954 0.0418954 0.5000000), wk = 0.0028011 k( 65) = ( -0.0502745 0.0502745 0.5000000), wk = 0.0028011 k( 66) = ( -0.0586536 0.0586536 0.5000000), wk = 0.0028011 k( 67) = ( -0.0586536 0.0586536 0.5000000), wk = 0.0028011 k( 68) = ( -0.0647834 0.0647834 0.4938702), wk = 0.0028011 k( 69) = ( -0.0709132 0.0709132 0.4877404), wk = 0.0028011 k( 70) = ( -0.0770430 0.0770430 0.4816106), wk = 0.0028011 k( 71) = ( -0.0831728 0.0831728 0.4754807), wk = 0.0028011 k( 72) = ( -0.0893026 0.0893026 0.4693509), wk = 0.0028011 k( 73) = ( -0.0954324 0.0954324 0.4632211), wk = 0.0028011 k( 74) = ( -0.1015623 0.1015623 0.4570913), wk = 0.0028011 k( 75) = ( -0.1076921 0.1076921 0.4509615), wk = 0.0028011 k( 76) = ( -0.1138219 0.1138219 0.4448317), wk = 0.0028011 k( 77) = ( -0.1199517 0.1199517 0.4387019), wk = 0.0028011 k( 78) = ( -0.1260815 0.1260815 0.4325721), wk = 0.0028011 k( 79) = ( -0.1322113 0.1322113 0.4264423), wk = 0.0028011 k( 80) = ( -0.1383411 0.1383411 0.4203125), wk = 0.0028011 k( 81) = ( -0.1444709 0.1444709 0.4141826), wk = 0.0028011 k( 82) = ( -0.1506008 0.1506007 0.4080528), wk = 0.0028011 k( 83) = ( -0.1567306 0.1567306 0.4019230), wk = 0.0028011 k( 84) = ( -0.1628604 0.1628604 0.3957932), wk = 0.0028011 k( 85) = ( -0.1689902 0.1689902 0.3896634), wk = 0.0028011 k( 86) = ( -0.1751200 0.1751200 0.3835336), wk = 0.0028011 k( 87) = ( -0.1812498 0.1812498 0.3774038), wk = 0.0028011 k( 88) = ( -0.1873796 0.1873796 0.3712740), wk = 0.0028011 k( 89) = ( -0.1935094 0.1935094 0.3651441), wk = 0.0028011 k( 90) = ( -0.1996392 0.1996392 0.3590143), wk = 0.0028011 k( 91) = ( -0.2057691 0.2057691 0.3528845), wk = 0.0028011 k( 92) = ( -0.2118989 0.2118989 0.3467547), wk = 0.0028011 k( 93) = ( -0.2180287 0.2180287 0.3406249), wk = 0.0028011 k( 94) = ( -0.2241585 0.2241585 0.3344951), wk = 0.0028011 k( 95) = ( -0.2302883 0.2302883 0.3283653), wk = 0.0028011 k( 96) = ( -0.2364181 0.2364181 0.3222355), wk = 0.0028011 k( 97) = ( -0.2425479 0.2425479 0.3161057), wk = 0.0028011 k( 98) = ( -0.2486777 0.2486777 0.3099758), wk = 0.0028011 k( 99) = ( -0.2548075 0.2548075 0.3038460), wk = 0.0028011 k( 100) = ( -0.2609374 0.2609374 0.2977162), wk = 0.0028011 k( 101) = ( -0.2670672 0.2670672 0.2915864), wk = 0.0028011 k( 102) = ( -0.2731970 0.2731970 0.2854566), wk = 0.0028011 k( 103) = ( -0.2793268 0.2793268 0.2793268), wk = 0.0028011 k( 104) = ( -0.2793268 0.2793268 0.2793268), wk = 0.0028011 k( 105) = ( -0.2731195 0.2731195 0.2731195), wk = 0.0028011 k( 106) = ( -0.2669123 0.2669123 0.2669123), wk = 0.0028011 k( 107) = ( -0.2607050 0.2607050 0.2607050), wk = 0.0028011 k( 108) = ( -0.2544977 0.2544977 0.2544977), wk = 0.0028011 k( 109) = ( -0.2482905 0.2482905 0.2482905), wk = 0.0028011 k( 110) = ( -0.2420832 0.2420832 0.2420832), wk = 0.0028011 k( 111) = ( -0.2358760 0.2358759 0.2358760), wk = 0.0028011 k( 112) = ( -0.2296687 0.2296687 0.2296687), wk = 0.0028011 k( 113) = ( -0.2234614 0.2234614 0.2234614), wk = 0.0028011 k( 114) = ( -0.2172542 0.2172542 0.2172542), wk = 0.0028011 k( 115) = ( -0.2110469 0.2110469 0.2110469), wk = 0.0028011 k( 116) = ( -0.2048396 0.2048396 0.2048396), wk = 0.0028011 k( 117) = ( -0.1986324 0.1986324 0.1986324), wk = 0.0028011 k( 118) = ( -0.1924251 0.1924251 0.1924251), wk = 0.0028011 k( 119) = ( -0.1862179 0.1862179 0.1862179), wk = 0.0028011 k( 120) = ( -0.1800106 0.1800106 0.1800106), wk = 0.0028011 k( 121) = ( -0.1738033 0.1738033 0.1738033), wk = 0.0028011 k( 122) = ( -0.1675961 0.1675961 0.1675961), wk = 0.0028011 k( 123) = ( -0.1613888 0.1613888 0.1613888), wk = 0.0028011 k( 124) = ( -0.1551816 0.1551816 0.1551816), wk = 0.0028011 k( 125) = ( -0.1489743 0.1489743 0.1489743), wk = 0.0028011 k( 126) = ( -0.1427670 0.1427670 0.1427670), wk = 0.0028011 k( 127) = ( -0.1365598 0.1365598 0.1365598), wk = 0.0028011 k( 128) = ( -0.1303525 0.1303525 0.1303525), wk = 0.0028011 k( 129) = ( -0.1241452 0.1241452 0.1241452), wk = 0.0028011 k( 130) = ( -0.1179380 0.1179380 0.1179380), wk = 0.0028011 k( 131) = ( -0.1117307 0.1117307 0.1117307), wk = 0.0028011 k( 132) = ( -0.1055235 0.1055234 0.1055235), wk = 0.0028011 k( 133) = ( -0.0993162 0.0993162 0.0993162), wk = 0.0028011 k( 134) = ( -0.0931089 0.0931089 0.0931089), wk = 0.0028011 k( 135) = ( -0.0869017 0.0869017 0.0869017), wk = 0.0028011 k( 136) = ( -0.0806944 0.0806944 0.0806944), wk = 0.0028011 k( 137) = ( -0.0744871 0.0744871 0.0744871), wk = 0.0028011 k( 138) = ( -0.0682799 0.0682799 0.0682799), wk = 0.0028011 k( 139) = ( -0.0620726 0.0620726 0.0620726), wk = 0.0028011 k( 140) = ( -0.0558654 0.0558654 0.0558654), wk = 0.0028011 k( 141) = ( -0.0496581 0.0496581 0.0496581), wk = 0.0028011 k( 142) = ( -0.0434508 0.0434508 0.0434508), wk = 0.0028011 k( 143) = ( -0.0372436 0.0372436 0.0372436), wk = 0.0028011 k( 144) = ( -0.0310363 0.0310363 0.0310363), wk = 0.0028011 k( 145) = ( -0.0248290 0.0248290 0.0248290), wk = 0.0028011 k( 146) = ( -0.0186218 0.0186218 0.0186218), wk = 0.0028011 k( 147) = ( -0.0124145 0.0124145 0.0124145), wk = 0.0028011 k( 148) = ( -0.0062073 0.0062073 0.0062073), wk = 0.0028011 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 151) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0028011 k( 152) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0028011 k( 153) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0028011 k( 154) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0028011 k( 155) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0028011 k( 156) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0028011 k( 157) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0028011 k( 158) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0028011 k( 159) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0028011 k( 160) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0028011 k( 161) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0028011 k( 162) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0028011 k( 163) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0028011 k( 164) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028011 k( 165) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0028011 k( 166) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0028011 k( 167) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0028011 k( 168) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0028011 k( 169) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0028011 k( 170) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0028011 k( 171) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0028011 k( 172) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0028011 k( 173) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0028011 k( 174) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0028011 k( 175) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0028011 k( 176) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0028011 k( 177) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0028011 k( 178) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 179) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 180) = ( 0.4938702 0.5061298 -0.4938702), wk = 0.0028011 k( 181) = ( 0.4877404 0.5122596 -0.4877404), wk = 0.0028011 k( 182) = ( 0.4816106 0.5183894 -0.4816106), wk = 0.0028011 k( 183) = ( 0.4754808 0.5245192 -0.4754807), wk = 0.0028011 k( 184) = ( 0.4693509 0.5306491 -0.4693509), wk = 0.0028011 k( 185) = ( 0.4632211 0.5367789 -0.4632211), wk = 0.0028011 k( 186) = ( 0.4570913 0.5429087 -0.4570913), wk = 0.0028011 k( 187) = ( 0.4509615 0.5490385 -0.4509615), wk = 0.0028011 k( 188) = ( 0.4448317 0.5551683 -0.4448317), wk = 0.0028011 k( 189) = ( 0.4387019 0.5612981 -0.4387019), wk = 0.0028011 k( 190) = ( 0.4325721 0.5674279 -0.4325721), wk = 0.0028011 k( 191) = ( 0.4264423 0.5735577 -0.4264423), wk = 0.0028011 k( 192) = ( 0.4203125 0.5796875 -0.4203125), wk = 0.0028011 k( 193) = ( 0.4141826 0.5858174 -0.4141826), wk = 0.0028011 k( 194) = ( 0.4080528 0.5919472 -0.4080528), wk = 0.0028011 k( 195) = ( 0.4019230 0.5980770 -0.4019230), wk = 0.0028011 k( 196) = ( 0.3957932 0.6042068 -0.3957932), wk = 0.0028011 k( 197) = ( 0.3896634 0.6103366 -0.3896634), wk = 0.0028011 k( 198) = ( 0.3835336 0.6164664 -0.3835336), wk = 0.0028011 k( 199) = ( 0.3774038 0.6225962 -0.3774038), wk = 0.0028011 k( 200) = ( 0.3712740 0.6287260 -0.3712740), wk = 0.0028011 k( 201) = ( 0.3651442 0.6348558 -0.3651442), wk = 0.0028011 k( 202) = ( 0.3590143 0.6409857 -0.3590143), wk = 0.0028011 k( 203) = ( 0.3528845 0.6471155 -0.3528845), wk = 0.0028011 k( 204) = ( 0.3467547 0.6532453 -0.3467547), wk = 0.0028011 k( 205) = ( 0.3406249 0.6593751 -0.3406249), wk = 0.0028011 k( 206) = ( 0.3344951 0.6655049 -0.3344951), wk = 0.0028011 k( 207) = ( 0.3283653 0.6716347 -0.3283653), wk = 0.0028011 k( 208) = ( 0.3222355 0.6777645 -0.3222355), wk = 0.0028011 k( 209) = ( 0.3161057 0.6838943 -0.3161057), wk = 0.0028011 k( 210) = ( 0.3099758 0.6900241 -0.3099759), wk = 0.0028011 k( 211) = ( 0.3038460 0.6961540 -0.3038460), wk = 0.0028011 k( 212) = ( 0.2977162 0.7022838 -0.2977162), wk = 0.0028011 k( 213) = ( 0.2915864 0.7084136 -0.2915864), wk = 0.0028011 k( 214) = ( 0.2854566 0.7145434 -0.2854566), wk = 0.0028011 k( 215) = ( 0.2793268 0.7206732 -0.2793268), wk = 0.0028011 k( 216) = ( 0.2793268 0.7206732 -0.2793268), wk = 0.0028011 k( 217) = ( 0.2607050 0.7059617 -0.2607050), wk = 0.0028011 k( 218) = ( 0.2420832 0.6912501 -0.2420832), wk = 0.0028011 k( 219) = ( 0.2234614 0.6765386 -0.2234614), wk = 0.0028011 k( 220) = ( 0.2048396 0.6618270 -0.2048396), wk = 0.0028011 k( 221) = ( 0.1862179 0.6471155 -0.1862179), wk = 0.0028011 k( 222) = ( 0.1675961 0.6324039 -0.1675961), wk = 0.0028011 k( 223) = ( 0.1489743 0.6176924 -0.1489743), wk = 0.0028011 k( 224) = ( 0.1303525 0.6029808 -0.1303525), wk = 0.0028011 k( 225) = ( 0.1117307 0.5882693 -0.1117307), wk = 0.0028011 k( 226) = ( 0.0931089 0.5735577 -0.0931089), wk = 0.0028011 k( 227) = ( 0.0744871 0.5588462 -0.0744871), wk = 0.0028011 k( 228) = ( 0.0558654 0.5441346 -0.0558654), wk = 0.0028011 k( 229) = ( 0.0372436 0.5294231 -0.0372436), wk = 0.0028011 k( 230) = ( 0.0186218 0.5147116 -0.0186218), wk = 0.0028011 k( 231) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 232) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 233) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0028011 k( 234) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0028011 k( 235) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0028011 k( 236) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0028011 k( 237) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0028011 k( 238) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0028011 k( 239) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0028011 k( 240) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0028011 k( 241) = ( 0.0548780 0.4451219 0.0548780), wk = 0.0028011 k( 242) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0028011 k( 243) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0028011 k( 244) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0028011 k( 245) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0028011 k( 246) = ( 0.0853658 0.4146341 0.0853659), wk = 0.0028011 k( 247) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0028011 k( 248) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0028011 k( 249) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0028011 k( 250) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0028011 k( 251) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0028011 k( 252) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0028011 k( 253) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0028011 k( 254) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0028011 k( 255) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0028011 k( 256) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0028011 k( 257) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0028011 k( 258) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0028011 k( 259) = ( 0.1646342 0.3353659 0.1646341), wk = 0.0028011 k( 260) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0028011 k( 261) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0028011 k( 262) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0028011 k( 263) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0028011 k( 264) = ( 0.1951219 0.3048780 0.1951219), wk = 0.0028011 k( 265) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0028011 k( 266) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0028011 k( 267) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0028011 k( 268) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0028011 k( 269) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0028011 k( 270) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0028011 k( 271) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0028011 k( 272) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0028011 k( 273) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 k( 275) = ( 0.2656250 0.2656250 0.2307091), wk = 0.0028011 k( 276) = ( 0.2812500 0.2812500 0.2114183), wk = 0.0028011 k( 277) = ( 0.2968750 0.2968750 0.1921274), wk = 0.0028011 k( 278) = ( 0.3125000 0.3125000 0.1728366), wk = 0.0028011 k( 279) = ( 0.3281250 0.3281250 0.1535458), wk = 0.0028011 k( 280) = ( 0.3437500 0.3437500 0.1342549), wk = 0.0028011 k( 281) = ( 0.3593750 0.3593750 0.1149641), wk = 0.0028011 k( 282) = ( 0.3750000 0.3750000 0.0956732), wk = 0.0028011 k( 283) = ( 0.3906250 0.3906250 0.0763824), wk = 0.0028011 k( 284) = ( 0.4062500 0.4062500 0.0570915), wk = 0.0028011 k( 285) = ( 0.4218750 0.4218750 0.0378007), wk = 0.0028011 k( 286) = ( 0.4375000 0.4375000 0.0185098), wk = 0.0028011 k( 287) = ( 0.4531250 0.4531250 -0.0007810), wk = 0.0028011 k( 288) = ( 0.4687500 0.4687500 -0.0200719), wk = 0.0028011 k( 289) = ( 0.4843750 0.4843750 -0.0393627), wk = 0.0028011 k( 290) = ( 0.5000000 0.5000000 -0.0586536), wk = 0.0028011 k( 291) = ( 0.5000000 0.5000000 -0.0586536), wk = 0.0028011 k( 292) = ( 0.5000000 0.5000000 -0.0673074), wk = 0.0028011 k( 293) = ( 0.5000000 0.5000000 -0.0759613), wk = 0.0028011 k( 294) = ( 0.5000000 0.5000000 -0.0846151), wk = 0.0028011 k( 295) = ( 0.5000000 0.5000000 -0.0932690), wk = 0.0028011 k( 296) = ( 0.5000000 0.5000000 -0.1019228), wk = 0.0028011 k( 297) = ( 0.5000000 0.5000000 -0.1105767), wk = 0.0028011 k( 298) = ( 0.5000000 0.5000000 -0.1192305), wk = 0.0028011 k( 299) = ( 0.5000000 0.5000000 -0.1278844), wk = 0.0028011 k( 300) = ( 0.5000000 0.5000000 -0.1365382), wk = 0.0028011 k( 301) = ( 0.5000000 0.5000000 -0.1451921), wk = 0.0028011 k( 302) = ( 0.5000000 0.5000000 -0.1538459), wk = 0.0028011 k( 303) = ( 0.5000000 0.5000000 -0.1624998), wk = 0.0028011 k( 304) = ( 0.5000000 0.5000000 -0.1711536), wk = 0.0028011 k( 305) = ( 0.5000000 0.5000000 -0.1798075), wk = 0.0028011 k( 306) = ( 0.5000000 0.5000000 -0.1884614), wk = 0.0028011 k( 307) = ( 0.5000000 0.5000000 -0.1971152), wk = 0.0028011 k( 308) = ( 0.5000000 0.5000000 -0.2057691), wk = 0.0028011 k( 309) = ( 0.5000000 0.5000000 -0.2144229), wk = 0.0028011 k( 310) = ( 0.5000000 0.5000000 -0.2230768), wk = 0.0028011 k( 311) = ( 0.5000000 0.5000000 -0.2317306), wk = 0.0028011 k( 312) = ( 0.5000000 0.5000000 -0.2403845), wk = 0.0028011 k( 313) = ( 0.5000000 0.5000000 -0.2490383), wk = 0.0028011 k( 314) = ( 0.5000000 0.5000000 -0.2576922), wk = 0.0028011 k( 315) = ( 0.5000000 0.5000000 -0.2663460), wk = 0.0028011 k( 316) = ( 0.5000000 0.5000000 -0.2749999), wk = 0.0028011 k( 317) = ( 0.5000000 0.5000000 -0.2836537), wk = 0.0028011 k( 318) = ( 0.5000000 0.5000000 -0.2923076), wk = 0.0028011 k( 319) = ( 0.5000000 0.5000000 -0.3009614), wk = 0.0028011 k( 320) = ( 0.5000000 0.5000000 -0.3096153), wk = 0.0028011 k( 321) = ( 0.5000000 0.5000000 -0.3182691), wk = 0.0028011 k( 322) = ( 0.5000000 0.5000000 -0.3269230), wk = 0.0028011 k( 323) = ( 0.5000000 0.5000000 -0.3355768), wk = 0.0028011 k( 324) = ( 0.5000000 0.5000000 -0.3442307), wk = 0.0028011 k( 325) = ( 0.5000000 0.5000000 -0.3528845), wk = 0.0028011 k( 326) = ( 0.5000000 0.5000000 -0.3615384), wk = 0.0028011 k( 327) = ( 0.5000000 0.5000000 -0.3701922), wk = 0.0028011 k( 328) = ( 0.5000000 0.5000000 -0.3788461), wk = 0.0028011 k( 329) = ( 0.5000000 0.5000000 -0.3874999), wk = 0.0028011 k( 330) = ( 0.5000000 0.5000000 -0.3961538), wk = 0.0028011 k( 331) = ( 0.5000000 0.5000000 -0.4048076), wk = 0.0028011 k( 332) = ( 0.5000000 0.5000000 -0.4134615), wk = 0.0028011 k( 333) = ( 0.5000000 0.5000000 -0.4221153), wk = 0.0028011 k( 334) = ( 0.5000000 0.5000000 -0.4307692), wk = 0.0028011 k( 335) = ( 0.5000000 0.5000000 -0.4394230), wk = 0.0028011 k( 336) = ( 0.5000000 0.5000000 -0.4480769), wk = 0.0028011 k( 337) = ( 0.5000000 0.5000000 -0.4567307), wk = 0.0028011 k( 338) = ( 0.5000000 0.5000000 -0.4653846), wk = 0.0028011 k( 339) = ( 0.5000000 0.5000000 -0.4740385), wk = 0.0028011 k( 340) = ( 0.5000000 0.5000000 -0.4826923), wk = 0.0028011 k( 341) = ( 0.5000000 0.5000000 -0.4913462), wk = 0.0028011 k( 342) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 343) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 344) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0028011 k( 345) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0028011 k( 346) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0028011 k( 347) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0028011 k( 348) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0028011 k( 349) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0028011 k( 350) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0028011 k( 351) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0028011 k( 352) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0028011 k( 353) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0028011 k( 354) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0028011 k( 355) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0028011 k( 356) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0028011 k( 357) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 Dense grid: 44969 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 24663 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 190, 44) NL pseudopotentials 0.19 Mb ( 95, 130) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1249) G-vector shells 0.00 Mb ( 584) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 190, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 130, 2, 44) The potential is recalculated from file : ./CaxFeAsx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 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 10.9 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.3 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 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.3 secs Computing kpt #: 18 total cpu time spent up to now is 16.3 secs Computing kpt #: 19 total cpu time spent up to now is 17.4 secs Computing kpt #: 20 total cpu time spent up to now is 18.5 secs Computing kpt #: 21 total cpu time spent up to now is 19.6 secs Computing kpt #: 22 total cpu time spent up to now is 20.5 secs Computing kpt #: 23 total cpu time spent up to now is 21.4 secs Computing kpt #: 24 total cpu time spent up to now is 22.2 secs Computing kpt #: 25 total cpu time spent up to now is 22.8 secs Computing kpt #: 26 total cpu time spent up to now is 23.4 secs Computing kpt #: 27 total cpu time spent up to now is 23.9 secs Computing kpt #: 28 total cpu time spent up to now is 24.5 secs Computing kpt #: 29 total cpu time spent up to now is 25.1 secs Computing kpt #: 30 total cpu time spent up to now is 25.7 secs Computing kpt #: 31 total cpu time spent up to now is 26.3 secs Computing kpt #: 32 total cpu time spent up to now is 26.8 secs Computing kpt #: 33 total cpu time spent up to now is 27.4 secs Computing kpt #: 34 total cpu time spent up to now is 28.0 secs Computing kpt #: 35 total cpu time spent up to now is 28.5 secs Computing kpt #: 36 total cpu time spent up to now is 29.1 secs Computing kpt #: 37 total cpu time spent up to now is 29.7 secs Computing kpt #: 38 total cpu time spent up to now is 30.2 secs Computing kpt #: 39 total cpu time spent up to now is 30.8 secs Computing kpt #: 40 total cpu time spent up to now is 31.4 secs Computing kpt #: 41 total cpu time spent up to now is 31.9 secs Computing kpt #: 42 total cpu time spent up to now is 32.5 secs Computing kpt #: 43 total cpu time spent up to now is 33.1 secs Computing kpt #: 44 total cpu time spent up to now is 33.6 secs Computing kpt #: 45 total cpu time spent up to now is 34.2 secs Computing kpt #: 46 total cpu time spent up to now is 34.8 secs Computing kpt #: 47 total cpu time spent up to now is 35.3 secs Computing kpt #: 48 total cpu time spent up to now is 35.9 secs Computing kpt #: 49 total cpu time spent up to now is 36.5 secs Computing kpt #: 50 total cpu time spent up to now is 37.0 secs Computing kpt #: 51 total cpu time spent up to now is 37.6 secs Computing kpt #: 52 total cpu time spent up to now is 38.1 secs Computing kpt #: 53 total cpu time spent up to now is 38.6 secs Computing kpt #: 54 total cpu time spent up to now is 39.2 secs Computing kpt #: 55 total cpu time spent up to now is 39.7 secs Computing kpt #: 56 total cpu time spent up to now is 40.2 secs Computing kpt #: 57 total cpu time spent up to now is 40.7 secs Computing kpt #: 58 total cpu time spent up to now is 41.1 secs Computing kpt #: 59 total cpu time spent up to now is 41.6 secs Computing kpt #: 60 total cpu time spent up to now is 42.3 secs Computing kpt #: 61 total cpu time spent up to now is 43.0 secs Computing kpt #: 62 total cpu time spent up to now is 43.6 secs Computing kpt #: 63 total cpu time spent up to now is 44.1 secs Computing kpt #: 64 total cpu time spent up to now is 44.6 secs Computing kpt #: 65 total cpu time spent up to now is 45.1 secs Computing kpt #: 66 total cpu time spent up to now is 45.7 secs Computing kpt #: 67 total cpu time spent up to now is 46.2 secs Computing kpt #: 68 total cpu time spent up to now is 46.7 secs Computing kpt #: 69 total cpu time spent up to now is 47.3 secs Computing kpt #: 70 total cpu time spent up to now is 47.8 secs Computing kpt #: 71 total cpu time spent up to now is 48.3 secs Computing kpt #: 72 total cpu time spent up to now is 48.9 secs Computing kpt #: 73 total cpu time spent up to now is 49.4 secs Computing kpt #: 74 total cpu time spent up to now is 50.0 secs Computing kpt #: 75 total cpu time spent up to now is 50.5 secs Computing kpt #: 76 total cpu time spent up to now is 51.1 secs Computing kpt #: 77 total cpu time spent up to now is 51.7 secs Computing kpt #: 78 total cpu time spent up to now is 52.3 secs Computing kpt #: 79 total cpu time spent up to now is 52.8 secs Computing kpt #: 80 total cpu time spent up to now is 53.4 secs Computing kpt #: 81 total cpu time spent up to now is 54.0 secs Computing kpt #: 82 total cpu time spent up to now is 54.5 secs Computing kpt #: 83 total cpu time spent up to now is 55.1 secs Computing kpt #: 84 total cpu time spent up to now is 55.7 secs Computing kpt #: 85 total cpu time spent up to now is 56.2 secs Computing kpt #: 86 total cpu time spent up to now is 56.8 secs Computing kpt #: 87 total cpu time spent up to now is 57.4 secs Computing kpt #: 88 total cpu time spent up to now is 58.0 secs Computing kpt #: 89 total cpu time spent up to now is 58.5 secs Computing kpt #: 90 total cpu time spent up to now is 59.2 secs Computing kpt #: 91 total cpu time spent up to now is 59.8 secs Computing kpt #: 92 total cpu time spent up to now is 60.6 secs Computing kpt #: 93 total cpu time spent up to now is 61.2 secs Computing kpt #: 94 total cpu time spent up to now is 62.0 secs Computing kpt #: 95 total cpu time spent up to now is 62.7 secs Computing kpt #: 96 total cpu time spent up to now is 63.6 secs Computing kpt #: 97 total cpu time spent up to now is 64.5 secs Computing kpt #: 98 total cpu time spent up to now is 65.5 secs Computing kpt #: 99 total cpu time spent up to now is 66.4 secs Computing kpt #: 100 total cpu time spent up to now is 67.4 secs Computing kpt #: 101 total cpu time spent up to now is 68.3 secs Computing kpt #: 102 total cpu time spent up to now is 69.2 secs Computing kpt #: 103 total cpu time spent up to now is 70.2 secs Computing kpt #: 104 total cpu time spent up to now is 71.1 secs Computing kpt #: 105 total cpu time spent up to now is 72.2 secs Computing kpt #: 106 total cpu time spent up to now is 73.1 secs Computing kpt #: 107 total cpu time spent up to now is 73.7 secs Computing kpt #: 108 total cpu time spent up to now is 74.3 secs Computing kpt #: 109 total cpu time spent up to now is 74.9 secs Computing kpt #: 110 total cpu time spent up to now is 75.5 secs Computing kpt #: 111 total cpu time spent up to now is 76.1 secs Computing kpt #: 112 total cpu time spent up to now is 76.6 secs Computing kpt #: 113 total cpu time spent up to now is 77.2 secs Computing kpt #: 114 total cpu time spent up to now is 77.8 secs Computing kpt #: 115 total cpu time spent up to now is 78.4 secs Computing kpt #: 116 total cpu time spent up to now is 78.9 secs Computing kpt #: 117 total cpu time spent up to now is 79.5 secs Computing kpt #: 118 total cpu time spent up to now is 80.1 secs Computing kpt #: 119 total cpu time spent up to now is 80.7 secs Computing kpt #: 120 total cpu time spent up to now is 81.3 secs Computing kpt #: 121 total cpu time spent up to now is 81.9 secs Computing kpt #: 122 total cpu time spent up to now is 83.7 secs Computing kpt #: 123 total cpu time spent up to now is 84.6 secs Computing kpt #: 124 total cpu time spent up to now is 85.7 secs Computing kpt #: 125 total cpu time spent up to now is 86.7 secs Computing kpt #: 126 total cpu time spent up to now is 87.7 secs Computing kpt #: 127 total cpu time spent up to now is 88.6 secs Computing kpt #: 128 total cpu time spent up to now is 89.5 secs Computing kpt #: 129 total cpu time spent up to now is 90.2 secs Computing kpt #: 130 total cpu time spent up to now is 91.0 secs Computing kpt #: 131 total cpu time spent up to now is 91.7 secs Computing kpt #: 132 total cpu time spent up to now is 92.4 secs Computing kpt #: 133 total cpu time spent up to now is 93.1 secs Computing kpt #: 134 total cpu time spent up to now is 93.8 secs Computing kpt #: 135 total cpu time spent up to now is 94.5 secs Computing kpt #: 136 total cpu time spent up to now is 95.0 secs Computing kpt #: 137 total cpu time spent up to now is 95.8 secs Computing kpt #: 138 total cpu time spent up to now is 96.5 secs Computing kpt #: 139 total cpu time spent up to now is 97.2 secs Computing kpt #: 140 total cpu time spent up to now is 98.0 secs Computing kpt #: 141 total cpu time spent up to now is 98.7 secs Computing kpt #: 142 total cpu time spent up to now is 99.4 secs Computing kpt #: 143 total cpu time spent up to now is 100.2 secs Computing kpt #: 144 total cpu time spent up to now is 100.9 secs Computing kpt #: 145 total cpu time spent up to now is 101.7 secs Computing kpt #: 146 total cpu time spent up to now is 102.4 secs Computing kpt #: 147 total cpu time spent up to now is 103.1 secs Computing kpt #: 148 total cpu time spent up to now is 103.6 secs Computing kpt #: 149 total cpu time spent up to now is 104.3 secs Computing kpt #: 150 total cpu time spent up to now is 104.9 secs Computing kpt #: 151 total cpu time spent up to now is 105.5 secs Computing kpt #: 152 total cpu time spent up to now is 106.1 secs Computing kpt #: 153 total cpu time spent up to now is 106.6 secs Computing kpt #: 154 total cpu time spent up to now is 107.3 secs Computing kpt #: 155 total cpu time spent up to now is 108.0 secs Computing kpt #: 156 total cpu time spent up to now is 108.6 secs Computing kpt #: 157 total cpu time spent up to now is 109.3 secs Computing kpt #: 158 total cpu time spent up to now is 110.1 secs Computing kpt #: 159 total cpu time spent up to now is 110.8 secs Computing kpt #: 160 total cpu time spent up to now is 111.6 secs Computing kpt #: 161 total cpu time spent up to now is 112.4 secs Computing kpt #: 162 total cpu time spent up to now is 114.4 secs Computing kpt #: 163 total cpu time spent up to now is 115.3 secs Computing kpt #: 164 total cpu time spent up to now is 116.0 secs Computing kpt #: 165 total cpu time spent up to now is 116.8 secs Computing kpt #: 166 total cpu time spent up to now is 117.4 secs Computing kpt #: 167 total cpu time spent up to now is 118.1 secs Computing kpt #: 168 total cpu time spent up to now is 118.7 secs Computing kpt #: 169 total cpu time spent up to now is 119.3 secs Computing kpt #: 170 total cpu time spent up to now is 120.0 secs Computing kpt #: 171 total cpu time spent up to now is 120.5 secs Computing kpt #: 172 total cpu time spent up to now is 121.2 secs Computing kpt #: 173 total cpu time spent up to now is 121.8 secs Computing kpt #: 174 total cpu time spent up to now is 122.5 secs Computing kpt #: 175 total cpu time spent up to now is 123.4 secs Computing kpt #: 176 total cpu time spent up to now is 124.2 secs Computing kpt #: 177 total cpu time spent up to now is 125.1 secs Computing kpt #: 178 total cpu time spent up to now is 125.9 secs Computing kpt #: 179 total cpu time spent up to now is 126.7 secs Computing kpt #: 180 total cpu time spent up to now is 127.6 secs Computing kpt #: 181 total cpu time spent up to now is 128.7 secs Computing kpt #: 182 total cpu time spent up to now is 129.5 secs Computing kpt #: 183 total cpu time spent up to now is 130.2 secs Computing kpt #: 184 total cpu time spent up to now is 130.8 secs Computing kpt #: 185 total cpu time spent up to now is 131.4 secs Computing kpt #: 186 total cpu time spent up to now is 132.0 secs Computing kpt #: 187 total cpu time spent up to now is 132.6 secs Computing kpt #: 188 total cpu time spent up to now is 133.2 secs Computing kpt #: 189 total cpu time spent up to now is 133.8 secs Computing kpt #: 190 total cpu time spent up to now is 134.4 secs Computing kpt #: 191 total cpu time spent up to now is 135.0 secs Computing kpt #: 192 total cpu time spent up to now is 135.6 secs Computing kpt #: 193 total cpu time spent up to now is 136.1 secs Computing kpt #: 194 total cpu time spent up to now is 136.8 secs Computing kpt #: 195 total cpu time spent up to now is 137.6 secs Computing kpt #: 196 total cpu time spent up to now is 138.2 secs Computing kpt #: 197 total cpu time spent up to now is 138.9 secs Computing kpt #: 198 total cpu time spent up to now is 139.5 secs Computing kpt #: 199 total cpu time spent up to now is 140.1 secs Computing kpt #: 200 total cpu time spent up to now is 140.7 secs Computing kpt #: 201 total cpu time spent up to now is 141.4 secs Computing kpt #: 202 total cpu time spent up to now is 142.0 secs Computing kpt #: 203 total cpu time spent up to now is 142.7 secs Computing kpt #: 204 total cpu time spent up to now is 143.2 secs Computing kpt #: 205 total cpu time spent up to now is 144.6 secs Computing kpt #: 206 total cpu time spent up to now is 145.2 secs Computing kpt #: 207 total cpu time spent up to now is 145.8 secs Computing kpt #: 208 total cpu time spent up to now is 146.3 secs Computing kpt #: 209 total cpu time spent up to now is 146.9 secs Computing kpt #: 210 total cpu time spent up to now is 147.5 secs Computing kpt #: 211 total cpu time spent up to now is 148.1 secs Computing kpt #: 212 total cpu time spent up to now is 148.8 secs Computing kpt #: 213 total cpu time spent up to now is 149.4 secs Computing kpt #: 214 total cpu time spent up to now is 150.3 secs Computing kpt #: 215 total cpu time spent up to now is 151.2 secs Computing kpt #: 216 total cpu time spent up to now is 152.1 secs Computing kpt #: 217 total cpu time spent up to now is 153.0 secs Computing kpt #: 218 total cpu time spent up to now is 153.9 secs Computing kpt #: 219 total cpu time spent up to now is 154.7 secs Computing kpt #: 220 total cpu time spent up to now is 155.5 secs Computing kpt #: 221 total cpu time spent up to now is 156.2 secs Computing kpt #: 222 total cpu time spent up to now is 157.0 secs Computing kpt #: 223 total cpu time spent up to now is 157.7 secs Computing kpt #: 224 total cpu time spent up to now is 158.4 secs Computing kpt #: 225 total cpu time spent up to now is 159.1 secs Computing kpt #: 226 total cpu time spent up to now is 159.8 secs Computing kpt #: 227 total cpu time spent up to now is 160.5 secs Computing kpt #: 228 total cpu time spent up to now is 161.2 secs Computing kpt #: 229 total cpu time spent up to now is 161.8 secs Computing kpt #: 230 total cpu time spent up to now is 162.3 secs Computing kpt #: 231 total cpu time spent up to now is 162.9 secs Computing kpt #: 232 total cpu time spent up to now is 163.4 secs Computing kpt #: 233 total cpu time spent up to now is 164.0 secs Computing kpt #: 234 total cpu time spent up to now is 164.6 secs Computing kpt #: 235 total cpu time spent up to now is 165.3 secs Computing kpt #: 236 total cpu time spent up to now is 166.0 secs Computing kpt #: 237 total cpu time spent up to now is 166.6 secs Computing kpt #: 238 total cpu time spent up to now is 167.3 secs Computing kpt #: 239 total cpu time spent up to now is 167.9 secs Computing kpt #: 240 total cpu time spent up to now is 168.6 secs Computing kpt #: 241 total cpu time spent up to now is 169.2 secs Computing kpt #: 242 total cpu time spent up to now is 169.8 secs Computing kpt #: 243 total cpu time spent up to now is 170.3 secs Computing kpt #: 244 total cpu time spent up to now is 170.9 secs Computing kpt #: 245 total cpu time spent up to now is 171.6 secs Computing kpt #: 246 total cpu time spent up to now is 172.1 secs Computing kpt #: 247 total cpu time spent up to now is 172.7 secs Computing kpt #: 248 total cpu time spent up to now is 173.4 secs Computing kpt #: 249 total cpu time spent up to now is 173.9 secs Computing kpt #: 250 total cpu time spent up to now is 174.5 secs Computing kpt #: 251 total cpu time spent up to now is 175.1 secs Computing kpt #: 252 total cpu time spent up to now is 175.7 secs Computing kpt #: 253 total cpu time spent up to now is 176.2 secs Computing kpt #: 254 total cpu time spent up to now is 176.8 secs Computing kpt #: 255 total cpu time spent up to now is 177.4 secs Computing kpt #: 256 total cpu time spent up to now is 178.0 secs Computing kpt #: 257 total cpu time spent up to now is 178.5 secs Computing kpt #: 258 total cpu time spent up to now is 179.1 secs Computing kpt #: 259 total cpu time spent up to now is 179.7 secs Computing kpt #: 260 total cpu time spent up to now is 180.2 secs Computing kpt #: 261 total cpu time spent up to now is 180.8 secs Computing kpt #: 262 total cpu time spent up to now is 181.3 secs Computing kpt #: 263 total cpu time spent up to now is 181.9 secs Computing kpt #: 264 total cpu time spent up to now is 182.4 secs Computing kpt #: 265 total cpu time spent up to now is 183.0 secs Computing kpt #: 266 total cpu time spent up to now is 183.5 secs Computing kpt #: 267 total cpu time spent up to now is 184.1 secs Computing kpt #: 268 total cpu time spent up to now is 184.6 secs Computing kpt #: 269 total cpu time spent up to now is 185.1 secs Computing kpt #: 270 total cpu time spent up to now is 185.7 secs Computing kpt #: 271 total cpu time spent up to now is 186.2 secs Computing kpt #: 272 total cpu time spent up to now is 186.7 secs Computing kpt #: 273 total cpu time spent up to now is 187.2 secs Computing kpt #: 274 total cpu time spent up to now is 187.7 secs Computing kpt #: 275 total cpu time spent up to now is 188.3 secs Computing kpt #: 276 total cpu time spent up to now is 188.8 secs Computing kpt #: 277 total cpu time spent up to now is 189.3 secs Computing kpt #: 278 total cpu time spent up to now is 189.8 secs Computing kpt #: 279 total cpu time spent up to now is 190.4 secs Computing kpt #: 280 total cpu time spent up to now is 190.9 secs Computing kpt #: 281 total cpu time spent up to now is 191.4 secs Computing kpt #: 282 total cpu time spent up to now is 191.9 secs Computing kpt #: 283 total cpu time spent up to now is 192.5 secs Computing kpt #: 284 total cpu time spent up to now is 193.0 secs Computing kpt #: 285 total cpu time spent up to now is 193.5 secs Computing kpt #: 286 total cpu time spent up to now is 194.1 secs Computing kpt #: 287 total cpu time spent up to now is 194.6 secs Computing kpt #: 288 total cpu time spent up to now is 195.1 secs Computing kpt #: 289 total cpu time spent up to now is 195.6 secs Computing kpt #: 290 total cpu time spent up to now is 196.2 secs Computing kpt #: 291 total cpu time spent up to now is 196.7 secs Computing kpt #: 292 total cpu time spent up to now is 197.2 secs Computing kpt #: 293 total cpu time spent up to now is 197.8 secs Computing kpt #: 294 total cpu time spent up to now is 198.3 secs Computing kpt #: 295 total cpu time spent up to now is 198.9 secs Computing kpt #: 296 total cpu time spent up to now is 199.4 secs Computing kpt #: 297 total cpu time spent up to now is 199.9 secs Computing kpt #: 298 total cpu time spent up to now is 200.5 secs Computing kpt #: 299 total cpu time spent up to now is 201.0 secs Computing kpt #: 300 total cpu time spent up to now is 201.6 secs Computing kpt #: 301 total cpu time spent up to now is 202.1 secs Computing kpt #: 302 total cpu time spent up to now is 202.7 secs Computing kpt #: 303 total cpu time spent up to now is 203.2 secs Computing kpt #: 304 total cpu time spent up to now is 203.8 secs Computing kpt #: 305 total cpu time spent up to now is 204.3 secs Computing kpt #: 306 total cpu time spent up to now is 205.0 secs Computing kpt #: 307 total cpu time spent up to now is 205.5 secs Computing kpt #: 308 total cpu time spent up to now is 206.1 secs Computing kpt #: 309 total cpu time spent up to now is 206.7 secs Computing kpt #: 310 total cpu time spent up to now is 207.2 secs Computing kpt #: 311 total cpu time spent up to now is 207.8 secs Computing kpt #: 312 total cpu time spent up to now is 208.4 secs Computing kpt #: 313 total cpu time spent up to now is 209.0 secs Computing kpt #: 314 total cpu time spent up to now is 209.6 secs Computing kpt #: 315 total cpu time spent up to now is 210.2 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.7 secs Computing kpt #: 317 total cpu time spent up to now is 212.5 secs Computing kpt #: 318 total cpu time spent up to now is 213.3 secs Computing kpt #: 319 total cpu time spent up to now is 214.1 secs Computing kpt #: 320 total cpu time spent up to now is 215.0 secs Computing kpt #: 321 total cpu time spent up to now is 216.0 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.5 secs Computing kpt #: 323 total cpu time spent up to now is 218.9 secs Computing kpt #: 324 total cpu time spent up to now is 219.5 secs Computing kpt #: 325 total cpu time spent up to now is 220.1 secs Computing kpt #: 326 total cpu time spent up to now is 220.7 secs Computing kpt #: 327 total cpu time spent up to now is 221.3 secs Computing kpt #: 328 total cpu time spent up to now is 221.9 secs Computing kpt #: 329 total cpu time spent up to now is 222.4 secs Computing kpt #: 330 total cpu time spent up to now is 223.0 secs Computing kpt #: 331 total cpu time spent up to now is 223.6 secs Computing kpt #: 332 total cpu time spent up to now is 224.2 secs Computing kpt #: 333 total cpu time spent up to now is 224.8 secs Computing kpt #: 334 total cpu time spent up to now is 225.4 secs Computing kpt #: 335 total cpu time spent up to now is 226.0 secs Computing kpt #: 336 total cpu time spent up to now is 226.6 secs Computing kpt #: 337 total cpu time spent up to now is 227.2 secs Computing kpt #: 338 total cpu time spent up to now is 228.0 secs Computing kpt #: 339 total cpu time spent up to now is 228.7 secs Computing kpt #: 340 total cpu time spent up to now is 229.5 secs Computing kpt #: 341 total cpu time spent up to now is 230.3 secs Computing kpt #: 342 total cpu time spent up to now is 231.1 secs Computing kpt #: 343 total cpu time spent up to now is 231.6 secs Computing kpt #: 344 total cpu time spent up to now is 232.1 secs Computing kpt #: 345 total cpu time spent up to now is 232.6 secs Computing kpt #: 346 total cpu time spent up to now is 233.1 secs Computing kpt #: 347 total cpu time spent up to now is 233.6 secs Computing kpt #: 348 total cpu time spent up to now is 234.1 secs Computing kpt #: 349 total cpu time spent up to now is 234.6 secs Computing kpt #: 350 total cpu time spent up to now is 235.3 secs Computing kpt #: 351 total cpu time spent up to now is 235.8 secs Computing kpt #: 352 total cpu time spent up to now is 236.3 secs Computing kpt #: 353 total cpu time spent up to now is 236.9 secs Computing kpt #: 354 total cpu time spent up to now is 237.4 secs Computing kpt #: 355 total cpu time spent up to now is 237.9 secs Computing kpt #: 356 total cpu time spent up to now is 238.4 secs Computing kpt #: 357 total cpu time spent up to now is 238.9 secs ethr = 2.78E-08, avg # of iterations = 25.3 total cpu time spent up to now is 238.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3071 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1525 -12.1525 -12.1090 -12.1090 -2.8120 -2.8120 -0.6574 -0.6574 3.9012 3.9012 6.6014 6.6014 6.6913 6.6913 6.7666 6.7666 7.6477 7.6477 7.7663 7.7663 7.8903 7.8903 9.0395 9.0395 9.3327 9.3327 10.0315 10.0315 10.0606 10.0606 10.1536 10.1536 10.6976 10.6976 10.7807 10.7807 11.7108 11.7108 11.7816 11.7816 k = 0.0000 0.0000 0.0201 ( 3063 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1525 -12.1525 -12.1090 -12.1090 -2.8110 -2.8110 -0.6573 -0.6573 3.9025 3.9025 6.5999 6.5999 6.6898 6.6898 6.7670 6.7670 7.6460 7.6460 7.7645 7.7645 7.8910 7.8910 9.0397 9.0397 9.3331 9.3331 10.0304 10.0304 10.0593 10.0593 10.1525 10.1525 10.6935 10.6935 10.7814 10.7814 11.7075 11.7075 11.7796 11.7796 k = 0.0000 0.0000 0.0402 ( 3067 PWs) bands (ev): -31.2422 -31.2422 -12.5108 -12.5108 -12.1528 -12.1528 -12.1090 -12.1090 -2.8079 -2.8079 -0.6569 -0.6569 3.9063 3.9063 6.5949 6.5949 6.6852 6.6852 6.7679 6.7679 7.6403 7.6403 7.7595 7.7595 7.8930 7.8930 9.0402 9.0402 9.3343 9.3343 10.0270 10.0270 10.0557 10.0557 10.1492 10.1492 10.6815 10.6815 10.7832 10.7832 11.6878 11.6878 11.7854 11.7854 k = 0.0000 0.0000 0.0604 ( 3067 PWs) bands (ev): -31.2422 -31.2422 -12.5110 -12.5110 -12.1532 -12.1532 -12.1090 -12.1090 -2.8028 -2.8028 -0.6564 -0.6564 3.9125 3.9125 6.5858 6.5858 6.6785 6.6785 6.7694 6.7694 7.6296 7.6296 7.7525 7.7525 7.8965 7.8965 9.0411 9.0411 9.3363 9.3363 10.0211 10.0211 10.0498 10.0498 10.1438 10.1438 10.6628 10.6628 10.7860 10.7860 11.6458 11.6458 11.8096 11.8096 k = 0.0000 0.0000 0.0805 ( 3065 PWs) bands (ev): -31.2421 -31.2421 -12.5113 -12.5113 -12.1537 -12.1537 -12.1090 -12.1090 -2.7956 -2.7956 -0.6556 -0.6556 3.9213 3.9213 6.5716 6.5716 6.6705 6.6705 6.7716 6.7716 7.6124 7.6124 7.7454 7.7454 7.9013 7.9013 9.0423 9.0423 9.3389 9.3389 10.0125 10.0125 10.0420 10.0420 10.1363 10.1363 10.6385 10.6385 10.7899 10.7899 11.5898 11.5898 11.8483 11.8483 k = 0.0000 0.0000 0.1006 ( 3065 PWs) bands (ev): -31.2421 -31.2421 -12.5118 -12.5118 -12.1544 -12.1544 -12.1090 -12.1090 -2.7865 -2.7865 -0.6546 -0.6546 3.9324 3.9324 6.5517 6.5517 6.6625 6.6625 6.7745 6.7745 7.5873 7.5873 7.7397 7.7397 7.9075 7.9075 9.0438 9.0438 9.3421 9.3421 10.0009 10.0009 10.0324 10.0324 10.1267 10.1267 10.6101 10.6101 10.7948 10.7948 11.5264 11.5264 11.8976 11.8976 k = 0.0000 0.0000 0.1207 ( 3069 PWs) bands (ev): -31.2420 -31.2420 -12.5123 -12.5123 -12.1552 -12.1552 -12.1090 -12.1090 -2.7754 -2.7754 -0.6533 -0.6533 3.9460 3.9460 6.5257 6.5257 6.6550 6.6550 6.7781 6.7781 7.5542 7.5542 7.7361 7.7361 7.9149 7.9149 9.0454 9.0454 9.3456 9.3456 9.9862 9.9862 10.0212 10.0212 10.1151 10.1151 10.5790 10.5790 10.8006 10.8006 11.4593 11.4593 11.9551 11.9551 k = 0.0000 0.0000 0.1409 ( 3057 PWs) bands (ev): -31.2419 -31.2419 -12.5128 -12.5128 -12.1561 -12.1561 -12.1090 -12.1090 -2.7623 -2.7623 -0.6518 -0.6518 3.9619 3.9619 6.4939 6.4939 6.6480 6.6480 6.7824 6.7824 7.5136 7.5136 7.7346 7.7346 7.9235 7.9235 9.0472 9.0472 9.3493 9.3493 9.9686 9.9686 10.0087 10.0087 10.1017 10.1017 10.5462 10.5462 10.8072 10.8072 11.3909 11.3909 12.0192 12.0192 k = 0.0000 0.0000 0.1610 ( 3057 PWs) bands (ev): -31.2417 -31.2417 -12.5135 -12.5135 -12.1572 -12.1572 -12.1091 -12.1091 -2.7473 -2.7473 -0.6501 -0.6501 3.9801 3.9801 6.4568 6.4568 6.6415 6.6415 6.7873 6.7873 7.4662 7.4662 7.7347 7.7347 7.9331 7.9331 9.0491 9.0491 9.3532 9.3532 9.9481 9.9481 9.9945 9.9945 10.0864 10.0864 10.5127 10.5127 10.8146 10.8146 11.3225 11.3225 12.0887 12.0887 k = 0.0000 0.0000 0.1811 ( 3069 PWs) bands (ev): -31.2416 -31.2416 -12.5143 -12.5143 -12.1585 -12.1585 -12.1091 -12.1091 -2.7305 -2.7305 -0.6482 -0.6482 4.0004 4.0004 6.4152 6.4152 6.6350 6.6350 6.7929 6.7929 7.4131 7.4131 7.7361 7.7361 7.9435 7.9435 9.0508 9.0508 9.3568 9.3568 9.9251 9.9251 9.9788 9.9788 10.0695 10.0695 10.4790 10.4790 10.8224 10.8224 11.2550 11.2550 12.1624 12.1624 k = 0.0000 0.0000 0.2012 ( 3067 PWs) bands (ev): -31.2414 -31.2414 -12.5151 -12.5151 -12.1598 -12.1598 -12.1091 -12.1091 -2.7118 -2.7118 -0.6459 -0.6459 4.0229 4.0229 6.3696 6.3696 6.6287 6.6287 6.7991 6.7991 7.3550 7.3550 7.7385 7.7385 7.9549 7.9549 9.0523 9.0523 9.3602 9.3602 9.8997 9.8997 9.9617 9.9617 10.0512 10.0512 10.4457 10.4457 10.8306 10.8306 11.1893 11.1893 12.2397 12.2397 k = 0.0000 0.0000 0.2213 ( 3061 PWs) bands (ev): -31.2413 -31.2413 -12.5160 -12.5160 -12.1613 -12.1613 -12.1091 -12.1091 -2.6914 -2.6914 -0.6435 -0.6435 4.0474 4.0474 6.3209 6.3209 6.6222 6.6222 6.8058 6.8058 7.2927 7.2927 7.7417 7.7417 7.9671 7.9671 9.0535 9.0535 9.3631 9.3631 9.8724 9.8724 9.9431 9.9431 10.0317 10.0317 10.4133 10.4133 10.8391 10.8391 11.1261 11.1261 12.3197 12.3197 k = 0.0000 0.0000 0.2415 ( 3065 PWs) bands (ev): -31.2411 -31.2411 -12.5170 -12.5170 -12.1628 -12.1628 -12.1092 -12.1092 -2.6692 -2.6692 -0.6407 -0.6407 4.0737 4.0737 6.2693 6.2693 6.6155 6.6155 6.8131 6.8131 7.2268 7.2268 7.7454 7.7454 7.9799 7.9799 9.0541 9.0541 9.3654 9.3654 9.8431 9.8431 9.9233 9.9233 10.0110 10.0110 10.3817 10.3817 10.8473 10.8473 11.0656 11.0656 12.4019 12.4019 k = 0.0000 0.0000 0.2616 ( 3057 PWs) bands (ev): -31.2409 -31.2409 -12.5180 -12.5180 -12.1645 -12.1645 -12.1092 -12.1092 -2.6454 -2.6454 -0.6377 -0.6377 4.1017 4.1017 6.2157 6.2157 6.6085 6.6085 6.8208 6.8208 7.1580 7.1580 7.7496 7.7496 7.9933 7.9933 9.0540 9.0540 9.3670 9.3670 9.8123 9.8123 9.9026 9.9026 9.9895 9.9895 10.3513 10.3513 10.8549 10.8549 11.0089 11.0089 12.4857 12.4857 k = 0.0000 0.0000 0.2817 ( 3065 PWs) bands (ev): -31.2407 -31.2407 -12.5192 -12.5192 -12.1663 -12.1663 -12.1092 -12.1092 -2.6201 -2.6201 -0.6345 -0.6345 4.1313 4.1313 6.1606 6.1606 6.6011 6.6011 6.8287 6.8287 7.0869 7.0869 7.7541 7.7541 8.0073 8.0073 9.0531 9.0531 9.3673 9.3673 9.7800 9.7800 9.8811 9.8811 9.9674 9.9674 10.3218 10.3218 10.8597 10.8597 10.9579 10.9579 12.5705 12.5705 k = 0.0000 0.0000 0.3018 ( 3071 PWs) bands (ev): -31.2405 -31.2405 -12.5204 -12.5204 -12.1682 -12.1682 -12.1092 -12.1092 -2.5932 -2.5932 -0.6310 -0.6310 4.1623 4.1623 6.1044 6.1044 6.5934 6.5934 6.8366 6.8366 7.0142 7.0142 7.7590 7.7590 8.0216 8.0216 9.0511 9.0511 9.3664 9.3664 9.7466 9.7466 9.8593 9.8593 9.9450 9.9450 10.2934 10.2934 10.8553 10.8553 10.9196 10.9196 12.6558 12.6558 k = 0.0000 0.0000 0.3220 ( 3071 PWs) bands (ev): -31.2402 -31.2402 -12.5216 -12.5216 -12.1701 -12.1701 -12.1092 -12.1092 -2.5650 -2.5650 -0.6272 -0.6272 4.1945 4.1945 6.0477 6.0477 6.5853 6.5853 6.8429 6.8429 6.9418 6.9418 7.7641 7.7641 8.0363 8.0363 9.0479 9.0479 9.3640 9.3640 9.7123 9.7123 9.8375 9.8375 9.9225 9.9225 10.2659 10.2659 10.8292 10.8292 10.9063 10.9063 12.7412 12.7412 k = 0.0000 0.0000 0.3421 ( 3063 PWs) bands (ev): -31.2400 -31.2400 -12.5229 -12.5229 -12.1721 -12.1721 -12.1092 -12.1092 -2.5354 -2.5354 -0.6231 -0.6231 4.2276 4.2276 5.9911 5.9911 6.5769 6.5769 6.8344 6.8344 6.8831 6.8831 7.7695 7.7695 8.0514 8.0514 9.0434 9.0434 9.3597 9.3597 9.6772 9.6772 9.8161 9.8161 9.9002 9.9002 10.2394 10.2394 10.7914 10.7914 10.9083 10.9083 12.8260 12.8260 k = 0.0000 0.0000 0.3622 ( 3075 PWs) bands (ev): -31.2398 -31.2398 -12.5242 -12.5242 -12.1743 -12.1743 -12.1092 -12.1092 -2.5046 -2.5046 -0.6187 -0.6187 4.2614 4.2614 5.9352 5.9352 6.5682 6.5682 6.7747 6.7747 6.8750 6.8750 7.7752 7.7752 8.0665 8.0665 9.0372 9.0372 9.3532 9.3532 9.6415 9.6415 9.7954 9.7954 9.8782 9.8782 10.2136 10.2136 10.7532 10.7532 10.9143 10.9143 12.9092 12.9092 k = 0.0000 0.0000 0.3823 ( 3075 PWs) bands (ev): -31.2395 -31.2395 -12.5256 -12.5256 -12.1764 -12.1764 -12.1092 -12.1092 -2.4726 -2.4726 -0.6141 -0.6141 4.2955 4.2955 5.8804 5.8804 6.5590 6.5590 6.6995 6.6995 6.8820 6.8820 7.7812 7.7812 8.0817 8.0817 9.0293 9.0293 9.3443 9.3443 9.6054 9.6054 9.7760 9.7760 9.8568 9.8568 10.1886 10.1886 10.7177 10.7177 10.9214 10.9214 12.9881 12.9881 k = 0.0000 0.0000 0.4025 ( 3075 PWs) bands (ev): -31.2392 -31.2392 -12.5271 -12.5271 -12.1786 -12.1786 -12.1092 -12.1092 -2.4396 -2.4396 -0.6092 -0.6092 4.3297 4.3297 5.8273 5.8273 6.5494 6.5494 6.6223 6.6223 6.8909 6.8909 7.7874 7.7874 8.0968 8.0968 9.0196 9.0196 9.3328 9.3328 9.5690 9.5690 9.7580 9.7580 9.8363 9.8363 10.1643 10.1643 10.6859 10.6859 10.9287 10.9287 13.0483 13.0483 k = 0.0000 0.0000 0.4226 ( 3071 PWs) bands (ev): -31.2390 -31.2390 -12.5285 -12.5285 -12.1808 -12.1808 -12.1091 -12.1091 -2.4057 -2.4057 -0.6040 -0.6040 4.3634 4.3634 5.7765 5.7765 6.5355 6.5355 6.5485 6.5485 6.9002 6.9002 7.7940 7.7940 8.1120 8.1120 9.0081 9.0081 9.3183 9.3183 9.5326 9.5326 9.7419 9.7419 9.8170 9.8170 10.1407 10.1407 10.6582 10.6582 10.9358 10.9358 13.0447 13.0447 k = 0.0000 0.0000 0.4427 ( 3075 PWs) bands (ev): -31.2387 -31.2387 -12.5300 -12.5300 -12.1831 -12.1831 -12.1091 -12.1091 -2.3710 -2.3710 -0.5985 -0.5985 4.3964 4.3964 5.7287 5.7287 6.4649 6.4649 6.5311 6.5311 6.9096 6.9096 7.8010 7.8010 8.1268 8.1268 8.9946 8.9946 9.3007 9.3007 9.4962 9.4962 9.7275 9.7275 9.7988 9.7988 10.1178 10.1178 10.6346 10.6346 10.9426 10.9426 13.0016 13.0016 k = 0.0000 0.0000 0.4628 ( 3071 PWs) bands (ev): -31.2384 -31.2384 -12.5315 -12.5315 -12.1854 -12.1854 -12.1090 -12.1090 -2.3355 -2.3355 -0.5928 -0.5928 4.4280 4.4280 5.6844 5.6844 6.3874 6.3874 6.5207 6.5207 6.9187 6.9187 7.8086 7.8086 8.1414 8.1414 8.9791 8.9791 9.2802 9.2802 9.4601 9.4601 9.7148 9.7148 9.7822 9.7822 10.0955 10.0955 10.6153 10.6153 10.9491 10.9491 12.9456 12.9456 k = 0.0000 0.0000 0.4829 ( 3075 PWs) bands (ev): -31.2381 -31.2381 -12.5330 -12.5330 -12.1877 -12.1877 -12.1089 -12.1089 -2.2995 -2.2995 -0.5868 -0.5868 4.4578 4.4578 5.6443 5.6443 6.3103 6.3103 6.5104 6.5104 6.9276 6.9276 7.8168 7.8168 8.1555 8.1555 8.9617 8.9617 9.2569 9.2569 9.4243 9.4243 9.7034 9.7034 9.7674 9.7674 10.0739 10.0739 10.6000 10.6000 10.9552 10.9552 12.8804 12.8804 k = 0.0000 0.0000 0.5031 ( 3079 PWs) bands (ev): -31.2378 -31.2378 -12.5346 -12.5346 -12.1901 -12.1901 -12.1089 -12.1089 -2.2630 -2.2630 -0.5805 -0.5805 4.4852 4.4852 5.6090 5.6090 6.2340 6.2340 6.4999 6.4999 6.9359 6.9359 7.8256 7.8256 8.1690 8.1690 8.9425 8.9425 9.2311 9.2311 9.3889 9.3889 9.6930 9.6930 9.7547 9.7547 10.0530 10.0530 10.5889 10.5889 10.9609 10.9609 12.8065 12.8065 k = 0.0000 0.0000 0.5232 ( 3091 PWs) bands (ev): -31.2375 -31.2375 -12.5362 -12.5362 -12.1924 -12.1924 -12.1088 -12.1088 -2.2261 -2.2261 -0.5741 -0.5741 4.5096 4.5096 5.5791 5.5791 6.1586 6.1586 6.4893 6.4893 6.9435 6.9435 7.8354 7.8354 8.1818 8.1818 8.9215 8.9215 9.2031 9.2031 9.3540 9.3540 9.6827 9.6827 9.7445 9.7445 10.0328 10.0328 10.5816 10.5816 10.9661 10.9661 12.7243 12.7243 k = 0.0000 0.0000 0.5433 ( 3089 PWs) bands (ev): -31.2372 -31.2372 -12.5377 -12.5377 -12.1947 -12.1947 -12.1087 -12.1087 -2.1891 -2.1891 -0.5674 -0.5674 4.5306 4.5306 5.5550 5.5550 6.0845 6.0845 6.4788 6.4788 6.9504 6.9504 7.8461 7.8461 8.1939 8.1939 8.8989 8.8989 9.1734 9.1734 9.3200 9.3200 9.6725 9.6725 9.7370 9.7370 10.0135 10.0135 10.5780 10.5780 10.9711 10.9711 12.6344 12.6344 k = 0.0000 0.0000 0.5634 ( 3085 PWs) bands (ev): -31.2369 -31.2369 -12.5392 -12.5392 -12.1970 -12.1970 -12.1086 -12.1086 -2.1519 -2.1519 -0.5604 -0.5604 4.5479 4.5479 5.5373 5.5373 6.0117 6.0117 6.4682 6.4682 6.9563 6.9563 7.8579 7.8579 8.2051 8.2051 8.8750 8.8750 9.1422 9.1422 9.2868 9.2868 9.6619 9.6619 9.7322 9.7322 9.9950 9.9950 10.5780 10.5780 10.9756 10.9756 12.5377 12.5377 k = 0.0000 0.0000 0.5836 ( 3089 PWs) bands (ev): -31.2366 -31.2366 -12.5408 -12.5408 -12.1993 -12.1993 -12.1085 -12.1085 -2.1148 -2.1148 -0.5533 -0.5533 4.5611 4.5611 5.5259 5.5259 5.9405 5.9405 6.4575 6.4575 6.9613 6.9613 7.8709 7.8709 8.2152 8.2152 8.8498 8.8498 9.1098 9.1098 9.2545 9.2545 9.6510 9.6510 9.7296 9.7296 9.9774 9.9774 10.5809 10.5809 10.9797 10.9797 12.4353 12.4353 k = 0.0000 0.0000 0.6037 ( 3093 PWs) bands (ev): -31.2363 -31.2363 -12.5423 -12.5423 -12.2015 -12.2015 -12.1084 -12.1084 -2.0778 -2.0778 -0.5460 -0.5460 4.5704 4.5704 5.5207 5.5207 5.8711 5.8711 6.4470 6.4470 6.9651 6.9651 7.8851 7.8851 8.2242 8.2242 8.8235 8.8235 9.0767 9.0767 9.2234 9.2234 9.6398 9.6398 9.7290 9.7290 9.9606 9.9606 10.5867 10.5867 10.9834 10.9834 12.3283 12.3283 k = 0.0000 0.0000 0.6238 ( 3091 PWs) bands (ev): -31.2360 -31.2360 -12.5438 -12.5438 -12.2037 -12.2037 -12.1083 -12.1083 -2.0411 -2.0411 -0.5386 -0.5386 4.5759 4.5759 5.5213 5.5213 5.8038 5.8038 6.4365 6.4365 6.9678 6.9678 7.9008 7.9008 8.2321 8.2321 8.7965 8.7965 9.0431 9.0431 9.1935 9.1935 9.6287 9.6287 9.7298 9.7298 9.9449 9.9449 10.5950 10.5950 10.9868 10.9868 12.2176 12.2176 k = 0.0000 0.0000 0.6439 ( 3099 PWs) bands (ev): -31.2357 -31.2357 -12.5453 -12.5453 -12.2059 -12.2059 -12.1082 -12.1082 -2.0049 -2.0049 -0.5310 -0.5310 4.5781 4.5781 5.5266 5.5266 5.7391 5.7391 6.4261 6.4261 6.9692 6.9692 7.9178 7.9178 8.2385 8.2385 8.7688 8.7688 9.0093 9.0093 9.1649 9.1649 9.6174 9.6174 9.7317 9.7317 9.9302 9.9302 10.6054 10.6054 10.9899 10.9899 12.1042 12.1042 k = 0.0000 0.0000 0.6640 ( 3097 PWs) bands (ev): -31.2354 -31.2354 -12.5468 -12.5468 -12.2080 -12.2080 -12.1080 -12.1080 -1.9692 -1.9692 -0.5234 -0.5234 4.5776 4.5776 5.5346 5.5346 5.6787 5.6787 6.4159 6.4159 6.9695 6.9695 7.9364 7.9364 8.2436 8.2436 8.7406 8.7406 8.9755 8.9755 9.1379 9.1379 9.6063 9.6063 9.7346 9.7346 9.9165 9.9165 10.6175 10.6175 10.9926 10.9926 11.9888 11.9888 k = 0.0000 0.0000 0.6842 ( 3101 PWs) bands (ev): -31.2351 -31.2351 -12.5482 -12.5482 -12.2101 -12.2101 -12.1079 -12.1079 -1.9341 -1.9341 -0.5156 -0.5156 4.5751 4.5751 5.5386 5.5386 5.6283 5.6283 6.4058 6.4058 6.9685 6.9685 7.9563 7.9563 8.2473 8.2473 8.7122 8.7122 8.9419 8.9419 9.1125 9.1125 9.5952 9.5952 9.7382 9.7382 9.9038 9.9038 10.6310 10.6310 10.9951 10.9951 11.8722 11.8722 k = 0.0000 0.0000 0.7043 ( 3109 PWs) bands (ev): -31.2349 -31.2349 -12.5496 -12.5496 -12.2121 -12.2121 -12.1078 -12.1078 -1.8999 -1.8999 -0.5079 -0.5079 4.5713 4.5713 5.5183 5.5183 5.6075 5.6075 6.3960 6.3960 6.9663 6.9663 7.9776 7.9776 8.2494 8.2494 8.6837 8.6837 8.9087 8.9087 9.0889 9.0889 9.5843 9.5843 9.7422 9.7422 9.8922 9.8922 10.6455 10.6455 10.9972 10.9972 11.7549 11.7549 k = 0.0000 0.0000 0.7244 ( 3113 PWs) bands (ev): -31.2346 -31.2346 -12.5510 -12.5510 -12.2141 -12.2141 -12.1077 -12.1077 -1.8665 -1.8665 -0.5001 -0.5001 4.5668 4.5668 5.4726 5.4726 5.6166 5.6166 6.3864 6.3864 6.9631 6.9631 8.0003 8.0003 8.2499 8.2499 8.6552 8.6552 8.8761 8.8761 9.0674 9.0674 9.5734 9.5734 9.7467 9.7467 9.8817 9.8817 10.6607 10.6607 10.9990 10.9990 11.6374 11.6374 k = 0.0000 0.0000 0.7445 ( 3117 PWs) bands (ev): -31.2343 -31.2343 -12.5523 -12.5523 -12.2160 -12.2160 -12.1075 -12.1075 -1.8341 -1.8341 -0.4923 -0.4923 4.5624 4.5624 5.4207 5.4207 5.6356 5.6356 6.3771 6.3771 6.9588 6.9588 8.0240 8.0240 8.2489 8.2489 8.6271 8.6271 8.8442 8.8442 9.0481 9.0481 9.5628 9.5628 9.7514 9.7514 9.8722 9.8722 10.6762 10.6762 11.0006 11.0006 11.5202 11.5202 k = 0.0000 0.0000 0.7647 ( 3125 PWs) bands (ev): -31.2341 -31.2341 -12.5536 -12.5536 -12.2178 -12.2178 -12.1074 -12.1074 -1.8029 -1.8029 -0.4846 -0.4846 4.5584 4.5584 5.3689 5.3689 5.6578 5.6578 6.3680 6.3680 6.9535 6.9535 8.0487 8.0487 8.2461 8.2461 8.5994 8.5994 8.8131 8.8131 9.0312 9.0312 9.5522 9.5522 9.7563 9.7563 9.8636 9.8636 10.6916 10.6916 11.0019 11.0019 11.4036 11.4036 k = 0.0000 0.0000 0.7848 ( 3129 PWs) bands (ev): -31.2338 -31.2338 -12.5548 -12.5548 -12.2195 -12.2195 -12.1072 -12.1072 -1.7728 -1.7728 -0.4770 -0.4770 4.5553 4.5553 5.3185 5.3185 5.6811 5.6811 6.3593 6.3593 6.9475 6.9475 8.0741 8.0741 8.2417 8.2417 8.5724 8.5724 8.7829 8.7829 9.0172 9.0172 9.5419 9.5419 9.7614 9.7614 9.8561 9.8561 10.7067 10.7067 11.0029 11.0029 11.2880 11.2880 k = 0.0000 0.0000 0.8049 ( 3125 PWs) bands (ev): -31.2336 -31.2336 -12.5559 -12.5559 -12.2212 -12.2212 -12.1071 -12.1071 -1.7441 -1.7441 -0.4695 -0.4695 4.5533 4.5533 5.2702 5.2702 5.7044 5.7044 6.3510 6.3510 6.9408 6.9408 8.1000 8.1000 8.2357 8.2357 8.5463 8.5463 8.7539 8.7539 9.0061 9.0061 9.5319 9.5319 9.7664 9.7664 9.8494 9.8494 10.7212 10.7212 11.0033 11.0033 11.1741 11.1741 k = 0.0000 0.0000 0.8250 ( 3117 PWs) bands (ev): -31.2333 -31.2333 -12.5570 -12.5570 -12.2227 -12.2227 -12.1069 -12.1069 -1.7166 -1.7166 -0.4622 -0.4622 4.5527 4.5527 5.2242 5.2242 5.7272 5.7272 6.3430 6.3430 6.9335 6.9335 8.1258 8.1258 8.2279 8.2279 8.5215 8.5215 8.7262 8.7262 8.9985 8.9985 9.5222 9.5222 9.7715 9.7715 9.8436 9.8436 10.7347 10.7347 11.0007 11.0007 11.0646 11.0646 k = 0.0000 0.0000 0.8451 ( 3118 PWs) bands (ev): -31.2331 -31.2331 -12.5581 -12.5581 -12.2242 -12.2242 -12.1068 -12.1068 -1.6907 -1.6907 -0.4550 -0.4550 4.5536 4.5536 5.1806 5.1806 5.7489 5.7489 6.3354 6.3354 6.9258 6.9258 8.1509 8.1509 8.2187 8.2187 8.4981 8.4981 8.6996 8.6996 8.9946 8.9946 9.5127 9.5127 9.7765 9.7765 9.8385 9.8385 10.7467 10.7467 10.9431 10.9431 11.0119 11.0119 k = 0.0000 0.0000 0.8653 ( 3118 PWs) bands (ev): -31.2329 -31.2329 -12.5591 -12.5591 -12.2256 -12.2256 -12.1066 -12.1066 -1.6662 -1.6662 -0.4482 -0.4482 4.5560 4.5560 5.1395 5.1395 5.7692 5.7692 6.3282 6.3282 6.9178 6.9178 8.1736 8.1736 8.2095 8.2095 8.4765 8.4765 8.6745 8.6745 8.9947 8.9947 9.5036 9.5036 9.7813 9.7813 9.8342 9.8342 10.7551 10.7551 10.8396 10.8396 11.0095 11.0095 k = 0.0000 0.0000 0.8854 ( 3110 PWs) bands (ev): -31.2327 -31.2327 -12.5600 -12.5600 -12.2269 -12.2269 -12.1065 -12.1065 -1.6432 -1.6432 -0.4415 -0.4415 4.5599 4.5599 5.1010 5.1010 5.7879 5.7879 6.3215 6.3215 6.9097 6.9097 8.1833 8.1833 8.2107 8.2107 8.4569 8.4569 8.6508 8.6508 8.9995 8.9995 9.4949 9.4949 9.7859 9.7859 9.8305 9.8305 10.7178 10.7178 10.7802 10.7802 11.0094 11.0094 k = 0.0000 0.0000 0.9055 ( 3112 PWs) bands (ev): -31.2325 -31.2325 -12.5608 -12.5608 -12.2281 -12.2281 -12.1064 -12.1064 -1.6219 -1.6219 -0.4352 -0.4352 4.5652 4.5652 5.0651 5.0651 5.8047 5.8047 6.3152 6.3152 6.9016 6.9016 8.1731 8.1731 8.2286 8.2286 8.4394 8.4394 8.6285 8.6285 9.0091 9.0091 9.4866 9.4866 9.7903 9.7903 9.8273 9.8273 10.6176 10.6176 10.7840 10.7840 11.0094 11.0094 k = 0.0000 0.0000 0.9256 ( 3104 PWs) bands (ev): -31.2323 -31.2323 -12.5616 -12.5616 -12.2292 -12.2292 -12.1062 -12.1062 -1.6022 -1.6022 -0.4293 -0.4293 4.5717 4.5717 5.0320 5.0320 5.8195 5.8195 6.3093 6.3093 6.8936 6.8936 8.1580 8.1580 8.2485 8.2485 8.4240 8.4240 8.6080 8.6080 9.0239 9.0239 9.4788 9.4788 9.7945 9.7945 9.8246 9.8246 10.5149 10.5149 10.7913 10.7913 11.0097 11.0097 k = 0.0000 0.0000 0.9458 ( 3110 PWs) bands (ev): -31.2322 -31.2322 -12.5624 -12.5624 -12.2303 -12.2303 -12.1061 -12.1061 -1.5841 -1.5841 -0.4237 -0.4237 4.5791 4.5791 5.0016 5.0016 5.8324 5.8324 6.3039 6.3039 6.8859 6.8859 8.1413 8.1413 8.2669 8.2669 8.4108 8.4108 8.5889 8.5889 9.0440 9.0440 9.4716 9.4716 9.7984 9.7984 9.8223 9.8223 10.4138 10.4138 10.7981 10.7981 11.0098 11.0098 k = 0.0000 0.0000 0.9659 ( 3106 PWs) bands (ev): -31.2320 -31.2320 -12.5630 -12.5630 -12.2312 -12.2312 -12.1060 -12.1060 -1.5677 -1.5677 -0.4186 -0.4186 4.5874 4.5874 4.9740 4.9740 5.8433 5.8433 6.2990 6.2990 6.8785 6.8785 8.1241 8.1241 8.2832 8.2832 8.3997 8.3997 8.5715 8.5715 9.0699 9.0699 9.4649 9.4649 9.8021 9.8021 9.8204 9.8204 10.3150 10.3150 10.8040 10.8040 11.0100 11.0100 k = 0.0000 0.0000 0.9860 ( 3110 PWs) bands (ev): -31.2319 -31.2319 -12.5637 -12.5637 -12.2321 -12.2321 -12.1059 -12.1059 -1.5531 -1.5531 -0.4139 -0.4139 4.5960 4.5960 4.9491 4.9491 5.8523 5.8523 6.2945 6.2945 6.8716 6.8716 8.1069 8.1069 8.2972 8.2972 8.3905 8.3905 8.5558 8.5558 9.1012 9.1012 9.4589 9.4589 9.8053 9.8053 9.8186 9.8186 10.2186 10.2186 10.8091 10.8091 11.0101 11.0101 k = 0.0000 0.0000 1.0061 ( 3108 PWs) bands (ev): -31.2318 -31.2318 -12.5642 -12.5642 -12.2328 -12.2328 -12.1058 -12.1058 -1.5401 -1.5401 -0.4097 -0.4097 4.6048 4.6048 4.9272 4.9272 5.8596 5.8596 6.2906 6.2906 6.8653 6.8653 8.0903 8.0903 8.3088 8.3088 8.3830 8.3830 8.5419 8.5419 9.1381 9.1381 9.4534 9.4534 9.8082 9.8082 9.8173 9.8173 10.1249 10.1249 10.8135 10.8135 11.0103 11.0103 k = 0.0000 0.0000 1.0263 ( 3102 PWs) bands (ev): -31.2316 -31.2316 -12.5646 -12.5646 -12.2334 -12.2334 -12.1058 -12.1058 -1.5289 -1.5289 -0.4060 -0.4060 4.6134 4.6134 4.9081 4.9081 5.8654 5.8654 6.2872 6.2872 6.8597 6.8597 8.0749 8.0749 8.3182 8.3182 8.3770 8.3770 8.5298 8.5298 9.1803 9.1803 9.4487 9.4487 9.8108 9.8108 9.8160 9.8160 10.0342 10.0342 10.8171 10.8171 11.0104 11.0104 k = 0.0000 0.0000 1.0464 ( 3108 PWs) bands (ev): -31.2316 -31.2316 -12.5650 -12.5650 -12.2340 -12.2340 -12.1057 -12.1057 -1.5194 -1.5194 -0.4028 -0.4028 4.6213 4.6213 4.8918 4.8918 5.8697 5.8697 6.2843 6.2843 6.8547 6.8547 8.0611 8.0611 8.3255 8.3255 8.3725 8.3725 8.5194 8.5194 9.2275 9.2275 9.4445 9.4445 9.8128 9.8128 9.8143 9.8143 9.9470 9.9470 10.8199 10.8199 11.0104 11.0104 k = 0.0000 0.0000 1.0665 ( 3110 PWs) bands (ev): -31.2315 -31.2315 -12.5654 -12.5654 -12.2344 -12.2344 -12.1056 -12.1056 -1.5116 -1.5116 -0.4002 -0.4002 4.6284 4.6284 4.8785 4.8785 5.8729 5.8729 6.2819 6.2819 6.8506 6.8506 8.0492 8.0492 8.3307 8.3307 8.3693 8.3693 8.5108 8.5108 9.2791 9.2791 9.4412 9.4412 9.8097 9.8097 9.8145 9.8145 9.8663 9.8663 10.8222 10.8222 11.0105 11.0105 k = 0.0000 0.0000 1.0866 ( 3114 PWs) bands (ev): -31.2314 -31.2314 -12.5656 -12.5656 -12.2348 -12.2348 -12.1056 -12.1056 -1.5055 -1.5055 -0.3981 -0.3981 4.6343 4.6343 4.8681 4.8681 5.8752 5.8752 6.2800 6.2800 6.8474 6.8474 8.0397 8.0397 8.3343 8.3343 8.3672 8.3672 8.5042 8.5042 9.3345 9.3345 9.4387 9.4387 9.7707 9.7707 9.8154 9.8154 9.8241 9.8241 10.8238 10.8238 11.0105 11.0105 k = 0.0000 0.0000 1.1067 ( 3114 PWs) bands (ev): -31.2314 -31.2314 -12.5658 -12.5658 -12.2350 -12.2350 -12.1056 -12.1056 -1.5012 -1.5012 -0.3967 -0.3967 4.6386 4.6386 4.8607 4.8607 5.8766 5.8766 6.2787 6.2787 6.8450 6.8450 8.0327 8.0327 8.3365 8.3365 8.3660 8.3660 8.4995 8.4995 9.3922 9.3922 9.4374 9.4374 9.6988 9.6988 9.8156 9.8156 9.8202 9.8202 10.8248 10.8248 11.0106 11.0106 k = 0.0000 0.0000 1.1269 ( 3114 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1056 -12.1056 -1.4986 -1.4986 -0.3958 -0.3958 4.6414 4.6414 4.8563 4.8563 5.8774 5.8774 6.2778 6.2778 6.8436 6.8436 8.0284 8.0284 8.3376 8.3376 8.3654 8.3654 8.4966 8.4966 9.4327 9.4327 9.4525 9.4525 9.6321 9.6321 9.8154 9.8154 9.8198 9.8198 10.8255 10.8255 11.0106 11.0106 k = 0.0000 0.0000 1.1470 ( 3108 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1056 -12.1056 -1.4977 -1.4977 -0.3955 -0.3955 4.6423 4.6423 4.8548 4.8548 5.8777 5.8777 6.2776 6.2776 6.8431 6.8431 8.0270 8.0270 8.3380 8.3380 8.3653 8.3653 8.4958 8.4958 9.4339 9.4339 9.4835 9.4835 9.5963 9.5963 9.8154 9.8154 9.8198 9.8198 10.8258 10.8258 11.0107 11.0107 k = 0.0000 0.0000 1.1470 ( 3108 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1056 -12.1056 -1.4977 -1.4977 -0.3955 -0.3955 4.6423 4.6423 4.8548 4.8548 5.8777 5.8777 6.2776 6.2776 6.8431 6.8431 8.0270 8.0270 8.3380 8.3380 8.3653 8.3653 8.4958 8.4958 9.4339 9.4339 9.4835 9.4835 9.5963 9.5963 9.8154 9.8154 9.8198 9.8198 10.8258 10.8258 11.0107 11.0107 k =-0.0084 0.0173 1.1470 ( 3110 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1056 -12.1056 -1.4978 -1.4978 -0.3969 -0.3969 4.6435 4.6435 4.8564 4.8564 5.8766 5.8766 6.2773 6.2773 6.8432 6.8432 8.0278 8.0278 8.3383 8.3383 8.3659 8.3659 8.4939 8.4939 9.4354 9.4354 9.4834 9.4834 9.5963 9.5963 9.8151 9.8151 9.8211 9.8211 10.8257 10.8257 11.0122 11.0122 k =-0.0168 0.0346 1.1470 ( 3114 PWs) bands (ev): -31.2314 -31.2314 -12.5658 -12.5658 -12.2350 -12.2350 -12.1056 -12.1056 -1.4981 -1.4981 -0.4014 -0.4014 4.6471 4.6471 4.8615 4.8615 5.8732 5.8732 6.2767 6.2767 6.8436 6.8436 8.0301 8.0301 8.3393 8.3393 8.3679 8.3679 8.4884 8.4884 9.4400 9.4400 9.4833 9.4833 9.5966 9.5966 9.8145 9.8145 9.8248 9.8248 10.8257 10.8257 11.0169 11.0169 k =-0.0251 0.0519 1.1470 ( 3110 PWs) bands (ev): -31.2314 -31.2314 -12.5657 -12.5657 -12.2348 -12.2348 -12.1056 -12.1056 -1.4985 -1.4985 -0.4087 -0.4087 4.6531 4.6531 4.8698 4.8698 5.8676 5.8676 6.2757 6.2757 6.8442 6.8442 8.0339 8.0339 8.3406 8.3406 8.3715 8.3715 8.4794 8.4794 9.4476 9.4476 9.4833 9.4833 9.5971 9.5971 9.8137 9.8137 9.8308 9.8308 10.8257 10.8257 11.0247 11.0247 k =-0.0335 0.0692 1.1470 ( 3110 PWs) bands (ev): -31.2315 -31.2315 -12.5654 -12.5654 -12.2345 -12.2345 -12.1057 -12.1057 -1.4991 -1.4991 -0.4189 -0.4189 4.6615 4.6615 4.8814 4.8814 5.8597 5.8597 6.2746 6.2746 6.8451 6.8451 8.0391 8.0391 8.3418 8.3418 8.3766 8.3766 8.4673 8.4673 9.4575 9.4575 9.4840 9.4840 9.5979 9.5979 9.8126 9.8126 9.8389 9.8389 10.8256 10.8256 11.0355 11.0355 k =-0.0419 0.0865 1.1470 ( 3110 PWs) bands (ev): -31.2315 -31.2315 -12.5651 -12.5651 -12.2341 -12.2341 -12.1057 -12.1057 -1.5000 -1.5000 -0.4319 -0.4319 4.6722 4.6722 4.8962 4.8962 5.8494 5.8494 6.2736 6.2736 6.8461 6.8461 8.0456 8.0456 8.3423 8.3423 8.3833 8.3833 8.4528 8.4528 9.4683 9.4683 9.4869 9.4869 9.5992 9.5992 9.8114 9.8114 9.8491 9.8491 10.8255 10.8255 11.0492 11.0492 k =-0.0503 0.1038 1.1470 ( 3108 PWs) bands (ev): -31.2316 -31.2316 -12.5648 -12.5648 -12.2336 -12.2336 -12.1058 -12.1058 -1.5010 -1.5010 -0.4476 -0.4476 4.6854 4.6854 4.9140 4.9140 5.8367 5.8367 6.2731 6.2731 6.8474 6.8474 8.0533 8.0533 8.3410 8.3410 8.3918 8.3918 8.4368 8.4368 9.4750 9.4750 9.4970 9.4970 9.6012 9.6012 9.8099 9.8099 9.8615 9.8615 10.8254 10.8254 11.0654 11.0654 k =-0.0587 0.1211 1.1470 ( 3104 PWs) bands (ev): -31.2317 -31.2317 -12.5643 -12.5643 -12.2330 -12.2330 -12.1059 -12.1059 -1.5024 -1.5024 -0.4658 -0.4658 4.7009 4.7009 4.9347 4.9347 5.8217 5.8217 6.2733 6.2733 6.8489 6.8489 8.0620 8.0620 8.3362 8.3362 8.4014 8.4014 8.4218 8.4218 9.4773 9.4773 9.5148 9.5148 9.6039 9.6039 9.8081 9.8081 9.8761 9.8761 10.8253 10.8253 11.0840 11.0840 k =-0.0587 0.1211 1.1470 ( 3104 PWs) bands (ev): -31.2317 -31.2317 -12.5643 -12.5643 -12.2330 -12.2330 -12.1059 -12.1059 -1.5024 -1.5024 -0.4658 -0.4658 4.7009 4.7009 4.9347 4.9347 5.8217 5.8217 6.2733 6.2733 6.8489 6.8489 8.0620 8.0620 8.3362 8.3362 8.4014 8.4014 8.4218 8.4218 9.4773 9.4773 9.5148 9.5148 9.6039 9.6039 9.8081 9.8081 9.8761 9.8761 10.8253 10.8253 11.0840 11.0840 k =-0.0648 0.1337 1.1329 ( 3094 PWs) bands (ev): -31.2318 -31.2318 -12.5639 -12.5639 -12.2324 -12.2324 -12.1059 -12.1059 -1.5039 -1.5039 -0.4809 -0.4809 4.7129 4.7129 4.9522 4.9522 5.8096 5.8096 6.2740 6.2740 6.8503 6.8503 8.0698 8.0698 8.3286 8.3286 8.4060 8.4060 8.4169 8.4169 9.4688 9.4688 9.5300 9.5300 9.6166 9.6166 9.8068 9.8068 9.8895 9.8895 10.8252 10.8252 11.0993 11.0993 k =-0.0709 0.1464 1.1189 ( 3086 PWs) bands (ev): -31.2319 -31.2319 -12.5635 -12.5635 -12.2318 -12.2318 -12.1060 -12.1060 -1.5063 -1.5063 -0.4973 -0.4973 4.7243 4.7243 4.9722 4.9722 5.7975 5.7975 6.2752 6.2752 6.8524 6.8524 8.0793 8.0793 8.3161 8.3161 8.4033 8.4033 8.4239 8.4239 9.4497 9.4497 9.5467 9.5467 9.6398 9.6398 9.8056 9.8056 9.9078 9.9078 10.8250 10.8250 11.1162 11.1162 k =-0.0770 0.1591 1.1048 ( 3086 PWs) bands (ev): -31.2320 -31.2320 -12.5630 -12.5630 -12.2311 -12.2311 -12.1061 -12.1061 -1.5095 -1.5095 -0.5151 -0.5151 4.7347 4.7347 4.9945 4.9945 5.7861 5.7861 6.2769 6.2769 6.8551 6.8551 8.0905 8.0905 8.2991 8.2991 8.4010 8.4010 8.4349 8.4349 9.4292 9.4292 9.5644 9.5644 9.6632 9.6632 9.8045 9.8045 9.9316 9.9316 10.8247 10.8247 11.1348 11.1348 k =-0.0832 0.1717 1.0907 ( 3084 PWs) bands (ev): -31.2321 -31.2321 -12.5625 -12.5625 -12.2303 -12.2303 -12.1061 -12.1061 -1.5136 -1.5136 -0.5341 -0.5341 4.7434 4.7434 5.0189 5.0189 5.7761 5.7761 6.2790 6.2790 6.8586 6.8586 8.1032 8.1032 8.2784 8.2784 8.4008 8.4008 8.4477 8.4477 9.4109 9.4109 9.5823 9.5823 9.6832 9.6832 9.8039 9.8039 9.9615 9.9615 10.8244 10.8244 11.1553 11.1553 k =-0.0893 0.1844 1.0767 ( 3085 PWs) bands (ev): -31.2322 -31.2322 -12.5619 -12.5619 -12.2294 -12.2294 -12.1062 -12.1062 -1.5184 -1.5184 -0.5542 -0.5542 4.7501 4.7501 5.0450 5.0450 5.7680 5.7680 6.2817 6.2817 6.8628 6.8628 8.1173 8.1173 8.2550 8.2550 8.4021 8.4021 8.4617 8.4617 9.3960 9.3960 9.5995 9.5995 9.6989 9.6989 9.8041 9.8041 9.9968 9.9968 10.8242 10.8242 11.1776 11.1776 k =-0.0954 0.1970 1.0626 ( 3085 PWs) bands (ev): -31.2324 -31.2324 -12.5613 -12.5613 -12.2285 -12.2285 -12.1063 -12.1063 -1.5240 -1.5240 -0.5752 -0.5752 4.7542 4.7542 5.0726 5.0726 5.7626 5.7626 6.2849 6.2849 6.8677 6.8677 8.1326 8.1326 8.2298 8.2298 8.4046 8.4046 8.4771 8.4771 9.3850 9.3850 9.6151 9.6151 9.7107 9.7107 9.8057 9.8057 10.0367 10.0367 10.8242 10.8242 11.2020 11.2020 k =-0.1016 0.2097 1.0486 ( 3085 PWs) bands (ev): -31.2325 -31.2325 -12.5606 -12.5606 -12.2275 -12.2275 -12.1064 -12.1064 -1.5302 -1.5302 -0.5970 -0.5970 4.7554 4.7554 5.1013 5.1013 5.7601 5.7601 6.2888 6.2888 6.8735 6.8735 8.1480 8.1480 8.2044 8.2044 8.4080 8.4080 8.4937 8.4937 9.3777 9.3777 9.6280 9.6280 9.7193 9.7193 9.8094 9.8094 10.0803 10.0803 10.8245 10.8245 11.2284 11.2284 k =-0.1077 0.2223 1.0345 ( 3085 PWs) bands (ev): -31.2327 -31.2327 -12.5600 -12.5600 -12.2264 -12.2264 -12.1065 -12.1065 -1.5370 -1.5370 -0.6194 -0.6194 4.7533 4.7533 5.1310 5.1310 5.7609 5.7609 6.2935 6.2935 6.8801 6.8801 8.1559 8.1559 8.1865 8.1865 8.4123 8.4123 8.5116 8.5116 9.3740 9.3740 9.6374 9.6374 9.7251 9.7251 9.8158 9.8158 10.1266 10.1266 10.8251 10.8251 11.2569 11.2569 k =-0.1138 0.2350 1.0204 ( 3089 PWs) bands (ev): -31.2329 -31.2329 -12.5593 -12.5593 -12.2253 -12.2253 -12.1066 -12.1066 -1.5443 -1.5443 -0.6424 -0.6424 4.7477 4.7477 5.1611 5.1611 5.7650 5.7650 6.2993 6.2993 6.8876 6.8876 8.1373 8.1373 8.1955 8.1955 8.4173 8.4173 8.5307 8.5307 9.3735 9.3735 9.6430 9.6430 9.7284 9.7284 9.8255 9.8255 10.1749 10.1749 10.8259 10.8259 11.2876 11.2876 k =-0.1200 0.2476 1.0064 ( 3095 PWs) bands (ev): -31.2331 -31.2331 -12.5587 -12.5587 -12.2241 -12.2241 -12.1066 -12.1066 -1.5521 -1.5521 -0.6658 -0.6658 4.7386 4.7386 5.1915 5.1915 5.7722 5.7722 6.3065 6.3065 6.8961 6.8961 8.1095 8.1095 8.2145 8.2145 8.4232 8.4232 8.5509 8.5509 9.3756 9.3756 9.6447 9.6447 9.7296 9.7296 9.8383 9.8383 10.2251 10.2251 10.8270 10.8270 11.3204 11.3204 k =-0.1261 0.2603 0.9923 ( 3100 PWs) bands (ev): -31.2333 -31.2333 -12.5580 -12.5580 -12.2229 -12.2229 -12.1067 -12.1067 -1.5602 -1.5602 -0.6895 -0.6895 4.7263 4.7263 5.2217 5.2217 5.7822 5.7822 6.3153 6.3153 6.9055 6.9055 8.0802 8.0802 8.2359 8.2359 8.4298 8.4298 8.5723 8.5723 9.3800 9.3800 9.6432 9.6432 9.7289 9.7289 9.8534 9.8534 10.2770 10.2770 10.8285 10.8285 11.3552 11.3552 k =-0.1322 0.2730 0.9782 ( 3104 PWs) bands (ev): -31.2335 -31.2335 -12.5573 -12.5573 -12.2216 -12.2216 -12.1067 -12.1067 -1.5687 -1.5687 -0.7132 -0.7132 4.7108 4.7108 5.2516 5.2516 5.7944 5.7944 6.3262 6.3262 6.9159 6.9159 8.0506 8.0506 8.2588 8.2588 8.4372 8.4372 8.5948 8.5948 9.3861 9.3861 9.6388 9.6388 9.7270 9.7270 9.8699 9.8699 10.3304 10.3304 10.8302 10.8302 11.3922 11.3922 k =-0.1383 0.2856 0.9642 ( 3104 PWs) bands (ev): -31.2337 -31.2337 -12.5566 -12.5566 -12.2203 -12.2203 -12.1066 -12.1066 -1.5775 -1.5775 -0.7370 -0.7370 4.6927 4.6927 5.2809 5.2809 5.8081 5.8081 6.3395 6.3395 6.9273 6.9273 8.0213 8.0213 8.2827 8.2827 8.4453 8.4453 8.6184 8.6184 9.3935 9.3935 9.6321 9.6321 9.7243 9.7243 9.8870 9.8870 10.3855 10.3855 10.8323 10.8323 11.4310 11.4310 k =-0.1445 0.2983 0.9501 ( 3106 PWs) bands (ev): -31.2339 -31.2339 -12.5560 -12.5560 -12.2190 -12.2190 -12.1066 -12.1066 -1.5864 -1.5864 -0.7606 -0.7606 4.6722 4.6722 5.3092 5.3092 5.8224 5.8224 6.3556 6.3556 6.9397 6.9397 7.9924 7.9924 8.3076 8.3076 8.4543 8.4543 8.6429 8.6429 9.4015 9.4015 9.6234 9.6234 9.7212 9.7212 9.9041 9.9041 10.4426 10.4426 10.8343 10.8343 11.4716 11.4716 k =-0.1506 0.3109 0.9361 ( 3104 PWs) bands (ev): -31.2341 -31.2341 -12.5553 -12.5553 -12.2177 -12.2177 -12.1065 -12.1065 -1.5954 -1.5954 -0.7840 -0.7840 4.6499 4.6499 5.3364 5.3364 5.8367 5.8367 6.3748 6.3748 6.9531 6.9531 7.9642 7.9642 8.3334 8.3334 8.4642 8.4642 8.6684 8.6684 9.4096 9.4096 9.6131 9.6131 9.7181 9.7181 9.9207 9.9207 10.5017 10.5017 10.8364 10.8364 11.5139 11.5139 k =-0.1567 0.3236 0.9220 ( 3102 PWs) bands (ev): -31.2343 -31.2343 -12.5547 -12.5547 -12.2163 -12.2163 -12.1064 -12.1064 -1.6046 -1.6046 -0.8071 -0.8071 4.6262 4.6262 5.3622 5.3622 5.8501 5.8501 6.3972 6.3972 6.9674 6.9674 7.9368 7.9368 8.3599 8.3599 8.4748 8.4748 8.6946 8.6946 9.4172 9.4172 9.6012 9.6012 9.7154 9.7154 9.9366 9.9366 10.5631 10.5631 10.8382 10.8382 11.5577 11.5577 k =-0.1629 0.3362 0.9079 ( 3104 PWs) bands (ev): -31.2345 -31.2345 -12.5540 -12.5540 -12.2150 -12.2150 -12.1062 -12.1062 -1.6137 -1.6137 -0.8296 -0.8296 4.6015 4.6015 5.3865 5.3865 5.8623 5.8623 6.4229 6.4229 6.9826 6.9826 7.9104 7.9104 8.3870 8.3870 8.4863 8.4863 8.7216 8.7216 9.4238 9.4238 9.5881 9.5881 9.7132 9.7132 9.9516 9.9516 10.6268 10.6268 10.8398 10.8398 11.6027 11.6027 k =-0.1690 0.3489 0.8939 ( 3098 PWs) bands (ev): -31.2347 -31.2347 -12.5534 -12.5534 -12.2137 -12.2137 -12.1060 -12.1060 -1.6227 -1.6227 -0.8516 -0.8516 4.5762 4.5762 5.4092 5.4092 5.8728 5.8728 6.4516 6.4516 6.9986 6.9986 7.8850 7.8850 8.4146 8.4146 8.4986 8.4986 8.7490 8.7490 9.4289 9.4289 9.5738 9.5738 9.7121 9.7121 9.9659 9.9659 10.6930 10.6930 10.8411 10.8411 11.6489 11.6489 k =-0.1751 0.3615 0.8798 ( 3094 PWs) bands (ev): -31.2349 -31.2349 -12.5529 -12.5529 -12.2124 -12.2124 -12.1058 -12.1058 -1.6316 -1.6316 -0.8730 -0.8730 4.5507 4.5507 5.4302 5.4302 5.8816 5.8816 6.4832 6.4832 7.0153 7.0153 7.8606 7.8606 8.4424 8.4424 8.5119 8.5119 8.7769 8.7769 9.4322 9.4322 9.5585 9.5585 9.7120 9.7120 9.9795 9.9795 10.7601 10.7601 10.8435 10.8435 11.6960 11.6960 k =-0.1812 0.3742 0.8658 ( 3094 PWs) bands (ev): -31.2351 -31.2351 -12.5524 -12.5524 -12.2112 -12.2112 -12.1055 -12.1055 -1.6403 -1.6403 -0.8936 -0.8936 4.5252 4.5252 5.4495 5.4495 5.8885 5.8885 6.5171 6.5171 7.0326 7.0326 7.8374 7.8374 8.4701 8.4701 8.5263 8.5263 8.8050 8.8050 9.4334 9.4334 9.5422 9.5422 9.7132 9.7132 9.9927 9.9927 10.8141 10.8141 10.8610 10.8610 11.7438 11.7438 k =-0.1874 0.3869 0.8517 ( 3090 PWs) bands (ev): -31.2353 -31.2353 -12.5519 -12.5519 -12.2099 -12.2099 -12.1053 -12.1053 -1.6488 -1.6488 -0.9133 -0.9133 4.5002 4.5002 5.4669 5.4669 5.8937 5.8937 6.5527 6.5527 7.0504 7.0504 7.8153 7.8153 8.4970 8.4970 8.5423 8.5423 8.8330 8.8330 9.4324 9.4324 9.5250 9.5250 9.7155 9.7155 10.0058 10.0058 10.8247 10.8247 10.9238 10.9238 11.7921 11.7921 k =-0.1935 0.3995 0.8376 ( 3087 PWs) bands (ev): -31.2355 -31.2355 -12.5514 -12.5514 -12.2088 -12.2088 -12.1050 -12.1050 -1.6570 -1.6570 -0.9321 -0.9321 4.4758 4.4758 5.4827 5.4827 5.8973 5.8973 6.5895 6.5895 7.0684 7.0684 7.7943 7.7943 8.5220 8.5220 8.5607 8.5607 8.8608 8.8608 9.4294 9.4294 9.5070 9.5070 9.7190 9.7190 10.0191 10.0191 10.8219 10.8219 11.0016 11.0016 11.8405 11.8405 k =-0.1996 0.4122 0.8236 ( 3094 PWs) bands (ev): -31.2356 -31.2356 -12.5510 -12.5510 -12.2077 -12.2077 -12.1047 -12.1047 -1.6648 -1.6648 -0.9500 -0.9500 4.4522 4.4522 5.4967 5.4967 5.8996 5.8996 6.6269 6.6269 7.0866 7.0866 7.7744 7.7744 8.5440 8.5440 8.5824 8.5824 8.8881 8.8881 9.4244 9.4244 9.4883 9.4883 9.7234 9.7234 10.0329 10.0329 10.8155 10.8155 11.0845 11.0845 11.8889 11.8889 k =-0.2058 0.4248 0.8095 ( 3090 PWs) bands (ev): -31.2358 -31.2358 -12.5506 -12.5506 -12.2067 -12.2067 -12.1043 -12.1043 -1.6723 -1.6723 -0.9667 -0.9667 4.4297 4.4297 5.5091 5.5091 5.9009 5.9009 6.6641 6.6641 7.1047 7.1047 7.7557 7.7557 8.5629 8.5629 8.6072 8.6072 8.9148 8.9148 9.4179 9.4179 9.4690 9.4690 9.7285 9.7285 10.0477 10.0477 10.8067 10.8067 11.1713 11.1713 11.9370 11.9370 k =-0.2119 0.4375 0.7954 ( 3094 PWs) bands (ev): -31.2360 -31.2360 -12.5503 -12.5503 -12.2058 -12.2058 -12.1040 -12.1040 -1.6793 -1.6793 -0.9824 -0.9824 4.4085 4.4085 5.5199 5.5199 5.9012 5.9012 6.7007 6.7007 7.1225 7.1225 7.7382 7.7382 8.5796 8.5796 8.6338 8.6338 8.9405 8.9405 9.4099 9.4099 9.4491 9.4491 9.7340 9.7340 10.0638 10.0638 10.7955 10.7955 11.2613 11.2613 11.9845 11.9845 k =-0.2180 0.4501 0.7814 ( 3093 PWs) bands (ev): -31.2361 -31.2361 -12.5499 -12.5499 -12.2049 -12.2049 -12.1037 -12.1037 -1.6858 -1.6858 -0.9969 -0.9969 4.3886 4.3886 5.5293 5.5293 5.9009 5.9009 6.7360 6.7360 7.1399 7.1399 7.7218 7.7218 8.5950 8.5950 8.6609 8.6609 8.9652 8.9652 9.4009 9.4009 9.4289 9.4289 9.7397 9.7397 10.0814 10.0814 10.7821 10.7821 11.3540 11.3540 12.0310 12.0310 k =-0.2242 0.4628 0.7673 ( 3089 PWs) bands (ev): -31.2363 -31.2363 -12.5497 -12.5497 -12.2041 -12.2041 -12.1033 -12.1033 -1.6918 -1.6918 -1.0101 -1.0101 4.3703 4.3703 5.5374 5.5374 5.9001 5.9001 6.7695 6.7695 7.1567 7.1567 7.7067 7.7067 8.6094 8.6094 8.6878 8.6878 8.9887 8.9887 9.3910 9.3910 9.4085 9.4085 9.7454 9.7454 10.1007 10.1007 10.7667 10.7667 11.4490 11.4490 12.0761 12.0761 k =-0.2303 0.4754 0.7533 ( 3089 PWs) bands (ev): -31.2364 -31.2364 -12.5494 -12.5494 -12.2034 -12.2034 -12.1030 -12.1030 -1.6973 -1.6973 -1.0221 -1.0221 4.3537 4.3537 5.5443 5.5443 5.8990 5.8990 6.8008 6.8008 7.1726 7.1726 7.6927 7.6927 8.6229 8.6229 8.7137 8.7137 9.0110 9.0110 9.3792 9.3792 9.3894 9.3894 9.7508 9.7508 10.1216 10.1216 10.7493 10.7493 11.5454 11.5454 12.1192 12.1192 k =-0.2364 0.4881 0.7392 ( 3093 PWs) bands (ev): -31.2365 -31.2365 -12.5492 -12.5492 -12.2027 -12.2027 -12.1027 -12.1027 -1.7022 -1.7022 -1.0328 -1.0328 4.3387 4.3387 5.5501 5.5501 5.8977 5.8977 6.8294 6.8294 7.1874 7.1874 7.6800 7.6800 8.6355 8.6355 8.7383 8.7383 9.0321 9.0321 9.3620 9.3620 9.3757 9.3757 9.7558 9.7558 10.1441 10.1441 10.7303 10.7303 11.6423 11.6423 12.1597 12.1597 k =-0.2425 0.5007 0.7251 ( 3091 PWs) bands (ev): -31.2366 -31.2366 -12.5490 -12.5490 -12.2022 -12.2022 -12.1024 -12.1024 -1.7065 -1.7065 -1.0421 -1.0421 4.3256 4.3256 5.5548 5.5548 5.8964 5.8964 6.8549 6.8549 7.2009 7.2009 7.6686 7.6686 8.6470 8.6470 8.7609 8.7609 9.0521 9.0521 9.3414 9.3414 9.3657 9.3657 9.7604 9.7604 10.1677 10.1677 10.7102 10.7102 11.7381 11.7381 12.1942 12.1942 k =-0.2487 0.5134 0.7111 ( 3091 PWs) bands (ev): -31.2367 -31.2367 -12.5488 -12.5488 -12.2017 -12.2017 -12.1021 -12.1021 -1.7102 -1.7102 -1.0500 -1.0500 4.3144 4.3144 5.5587 5.5587 5.8951 5.8951 6.8771 6.8771 7.2128 7.2128 7.6587 7.6587 8.6572 8.6572 8.7811 8.7811 9.0711 9.0711 9.3203 9.3203 9.3571 9.3571 9.7643 9.7643 10.1918 10.1918 10.6894 10.6894 11.8308 11.8308 12.1916 12.1916 k =-0.2548 0.5261 0.6970 ( 3090 PWs) bands (ev): -31.2367 -31.2367 -12.5487 -12.5487 -12.2013 -12.2013 -12.1019 -12.1019 -1.7132 -1.7132 -1.0565 -1.0565 4.3052 4.3052 5.5617 5.5617 5.8939 5.8939 6.8956 6.8956 7.2230 7.2230 7.6504 7.6504 8.6658 8.6658 8.7985 8.7985 9.0891 9.0891 9.2997 9.2997 9.3498 9.3498 9.7677 9.7677 10.2152 10.2152 10.6690 10.6690 11.9175 11.9175 12.1745 12.1745 k =-0.2609 0.5387 0.6830 ( 3090 PWs) bands (ev): -31.2368 -31.2368 -12.5486 -12.5486 -12.2010 -12.2010 -12.1017 -12.1017 -1.7156 -1.7156 -1.0616 -1.0616 4.2979 4.2979 5.5640 5.5640 5.8929 5.8929 6.9103 6.9103 7.2312 7.2312 7.6437 7.6437 8.6728 8.6728 8.8125 8.8125 9.1059 9.1059 9.2804 9.2804 9.3439 9.3439 9.7704 9.7704 10.2367 10.2367 10.6502 10.6502 11.9943 11.9943 12.1601 12.1601 k =-0.2671 0.5514 0.6689 ( 3096 PWs) bands (ev): -31.2368 -31.2368 -12.5486 -12.5486 -12.2008 -12.2008 -12.1016 -12.1016 -1.7173 -1.7173 -1.0653 -1.0653 4.2928 4.2928 5.5656 5.5656 5.8922 5.8922 6.9209 6.9209 7.2372 7.2372 7.6388 7.6388 8.6779 8.6779 8.8227 8.8227 9.1205 9.1205 9.2634 9.2634 9.3394 9.3394 9.7723 9.7723 10.2542 10.2542 10.6346 10.6346 12.0558 12.0558 12.1494 12.1494 k =-0.2732 0.5640 0.6548 ( 3098 PWs) bands (ev): -31.2369 -31.2369 -12.5485 -12.5485 -12.2007 -12.2007 -12.1016 -12.1016 -1.7184 -1.7184 -1.0675 -1.0675 4.2896 4.2896 5.5665 5.5665 5.8917 5.8917 6.9272 6.9272 7.2408 7.2408 7.6359 7.6359 8.6810 8.6810 8.8290 8.8290 9.1313 9.1313 9.2511 9.2511 9.3367 9.3367 9.7734 9.7734 10.2659 10.2659 10.6241 10.6241 12.0964 12.0964 12.1426 12.1426 k =-0.2793 0.5767 0.6408 ( 3096 PWs) bands (ev): -31.2369 -31.2369 -12.5485 -12.5485 -12.2007 -12.2007 -12.1015 -12.1015 -1.7187 -1.7187 -1.0682 -1.0682 4.2886 4.2886 5.5668 5.5668 5.8916 5.8916 6.9294 6.9294 7.2421 7.2421 7.6349 7.6349 8.6820 8.6820 8.8312 8.8312 9.1355 9.1355 9.2464 9.2464 9.3358 9.3358 9.7738 9.7738 10.2701 10.2701 10.6205 10.6205 12.1109 12.1109 12.1401 12.1401 k =-0.2793 0.5767 0.6408 ( 3096 PWs) bands (ev): -31.2369 -31.2369 -12.5485 -12.5485 -12.2007 -12.2007 -12.1015 -12.1015 -1.7187 -1.7187 -1.0682 -1.0682 4.2886 4.2886 5.5668 5.5668 5.8916 5.8916 6.9294 6.9294 7.2421 7.2421 7.6349 7.6349 8.6820 8.6820 8.8312 8.8312 9.1355 9.1355 9.2464 9.2464 9.3358 9.3358 9.7738 9.7738 10.2701 10.2701 10.6205 10.6205 12.1109 12.1109 12.1401 12.1401 k =-0.2731 0.5639 0.6265 ( 3100 PWs) bands (ev): -31.2368 -31.2368 -12.5491 -12.5491 -12.2012 -12.2012 -12.1013 -12.1013 -1.7284 -1.7284 -1.0370 -1.0370 4.2720 4.2720 5.5554 5.5554 5.8633 5.8633 6.9142 6.9142 7.2614 7.2614 7.6526 7.6526 8.7211 8.7211 8.8451 8.8451 9.0927 9.0927 9.2357 9.2357 9.3142 9.3142 9.7509 9.7509 10.2360 10.2360 10.6203 10.6203 12.1402 12.1402 12.2050 12.2050 k =-0.2669 0.5511 0.6123 ( 3100 PWs) bands (ev): -31.2368 -31.2368 -12.5496 -12.5496 -12.2016 -12.2016 -12.1012 -12.1012 -1.7405 -1.7405 -1.0067 -1.0067 4.2604 4.2604 5.5474 5.5474 5.8329 5.8329 6.8995 6.8995 7.2806 7.2806 7.6672 7.6672 8.7595 8.7595 8.8597 8.8597 9.0496 9.0496 9.2283 9.2283 9.2955 9.2955 9.7295 9.7295 10.2040 10.2040 10.6216 10.6216 12.1660 12.1660 12.2117 12.2117 k =-0.2607 0.5382 0.5981 ( 3104 PWs) bands (ev): -31.2367 -31.2367 -12.5499 -12.5499 -12.2019 -12.2019 -12.1010 -12.1010 -1.7549 -1.7549 -0.9772 -0.9772 4.2536 4.2536 5.5427 5.5427 5.8007 5.8007 6.8852 6.8852 7.2998 7.2998 7.6786 7.6786 8.7956 8.7956 8.8758 8.8758 9.0070 9.0070 9.2242 9.2242 9.2800 9.2800 9.7098 9.7098 10.1740 10.1740 10.6243 10.6243 12.1419 12.1419 12.2116 12.2116 k =-0.2545 0.5254 0.5838 ( 3106 PWs) bands (ev): -31.2367 -31.2367 -12.5501 -12.5501 -12.2021 -12.2021 -12.1010 -12.1010 -1.7716 -1.7716 -0.9487 -0.9487 4.2516 4.2516 5.5413 5.5413 5.7671 5.7671 6.8714 6.8714 7.3187 7.3187 7.6865 7.6865 8.8268 8.8268 8.8947 8.8947 8.9660 8.9660 9.2231 9.2231 9.2684 9.2684 9.6919 9.6919 10.1461 10.1461 10.6285 10.6285 12.0847 12.0847 12.2417 12.2417 k =-0.2483 0.5126 0.5696 ( 3106 PWs) bands (ev): -31.2367 -31.2367 -12.5501 -12.5501 -12.2021 -12.2021 -12.1009 -12.1009 -1.7907 -1.7907 -0.9213 -0.9213 4.2544 4.2544 5.5430 5.5430 5.7324 5.7324 6.8581 6.8581 7.3376 7.3376 7.6909 7.6909 8.8483 8.8483 8.9084 8.9084 8.9392 8.9392 9.2240 9.2240 9.2621 9.2621 9.6759 9.6759 10.1202 10.1202 10.6343 10.6343 12.0245 12.0245 12.2746 12.2746 k =-0.2421 0.4998 0.5553 ( 3110 PWs) bands (ev): -31.2367 -31.2367 -12.5500 -12.5500 -12.2020 -12.2020 -12.1009 -12.1009 -1.8119 -1.8119 -0.8951 -0.8951 4.2616 4.2616 5.5471 5.5471 5.6979 5.6979 6.8453 6.8453 7.3562 7.3562 7.6915 7.6915 8.8502 8.8502 8.8912 8.8912 8.9624 8.9624 9.2251 9.2251 9.2627 9.2627 9.6617 9.6617 10.0963 10.0963 10.6417 10.6417 11.9635 11.9635 12.3083 12.3083 k =-0.2359 0.4870 0.5411 ( 3110 PWs) bands (ev): -31.2368 -31.2368 -12.5498 -12.5498 -12.2018 -12.2018 -12.1009 -12.1009 -1.8353 -1.8353 -0.8701 -0.8701 4.2731 4.2731 5.5515 5.5515 5.6661 5.6661 6.8329 6.8329 7.3745 7.3745 7.6885 7.6885 8.8206 8.8206 8.8918 8.8918 8.9990 8.9990 9.2254 9.2254 9.2709 9.2709 9.6496 9.6496 10.0745 10.0745 10.6506 10.6506 11.9027 11.9027 12.3426 12.3426 k =-0.2297 0.4742 0.5269 ( 3098 PWs) bands (ev): -31.2368 -31.2368 -12.5493 -12.5493 -12.2014 -12.2014 -12.1010 -12.1010 -1.8606 -1.8606 -0.8464 -0.8464 4.2884 4.2884 5.5506 5.5506 5.6430 5.6430 6.8210 6.8210 7.3926 7.3926 7.6819 7.6819 8.7812 8.7812 8.8992 8.8992 9.0384 9.0384 9.2263 9.2263 9.2851 9.2851 9.6397 9.6397 10.0547 10.0547 10.6613 10.6613 11.8423 11.8423 12.3772 12.3772 k =-0.2235 0.4613 0.5126 ( 3098 PWs) bands (ev): -31.2369 -31.2369 -12.5488 -12.5488 -12.2009 -12.2009 -12.1011 -12.1011 -1.8878 -1.8878 -0.8240 -0.8240 4.3070 4.3070 5.5358 5.5358 5.6380 5.6380 6.8097 6.8097 7.4104 7.4104 7.6720 7.6720 8.7403 8.7403 8.9071 8.9071 9.0787 9.0787 9.2285 9.2285 9.3033 9.3033 9.6317 9.6317 10.0369 10.0369 10.6736 10.6736 11.7828 11.7828 12.4121 12.4121 k =-0.2173 0.4485 0.4984 ( 3100 PWs) bands (ev): -31.2369 -31.2369 -12.5481 -12.5481 -12.2003 -12.2003 -12.1012 -12.1012 -1.9167 -1.9167 -0.8030 -0.8030 4.3284 4.3284 5.5083 5.5083 5.6504 5.6504 6.7988 6.7988 7.4278 7.4278 7.6588 7.6588 8.6994 8.6994 8.9150 8.9150 9.1191 9.1191 9.2329 9.2329 9.3245 9.3245 9.6259 9.6259 10.0211 10.0211 10.6876 10.6876 11.7242 11.7242 12.4472 12.4472 k =-0.2110 0.4357 0.4841 ( 3102 PWs) bands (ev): -31.2370 -31.2370 -12.5473 -12.5473 -12.1996 -12.1996 -12.1014 -12.1014 -1.9471 -1.9471 -0.7834 -0.7834 4.3518 4.3518 5.4762 5.4762 5.6730 5.6730 6.7884 6.7884 7.4448 7.4448 7.6427 7.6427 8.6588 8.6588 8.9231 8.9231 9.1587 9.1587 9.2400 9.2400 9.3477 9.3477 9.6223 9.6223 10.0075 10.0075 10.7033 10.7033 11.6670 11.6670 12.4825 12.4825 k =-0.2048 0.4229 0.4699 ( 3098 PWs) bands (ev): -31.2371 -31.2371 -12.5463 -12.5463 -12.1987 -12.1987 -12.1016 -12.1016 -1.9789 -1.9789 -0.7652 -0.7652 4.3763 4.3763 5.4442 5.4442 5.7021 5.7021 6.7785 6.7785 7.4615 7.4615 7.6240 7.6240 8.6187 8.6187 8.9316 8.9316 9.1953 9.1953 9.2514 9.2514 9.3723 9.3723 9.6211 9.6211 9.9961 9.9961 10.7208 10.7208 11.6111 11.6111 12.5179 12.5179 k =-0.1986 0.4101 0.4557 ( 3096 PWs) bands (ev): -31.2373 -31.2373 -12.5453 -12.5453 -12.1977 -12.1977 -12.1019 -12.1019 -2.0119 -2.0119 -0.7485 -0.7485 4.4007 4.4007 5.4147 5.4147 5.7362 5.7362 6.7690 6.7690 7.4776 7.4776 7.6031 7.6031 8.5793 8.5793 8.9405 8.9405 9.2242 9.2242 9.2714 9.2714 9.3978 9.3978 9.6222 9.6222 9.9871 9.9871 10.7399 10.7399 11.5568 11.5568 12.5536 12.5536 k =-0.1924 0.3973 0.4414 ( 3094 PWs) bands (ev): -31.2374 -31.2374 -12.5441 -12.5441 -12.1966 -12.1966 -12.1021 -12.1021 -2.0459 -2.0459 -0.7331 -0.7331 4.4237 4.4237 5.3896 5.3896 5.7747 5.7747 6.7601 6.7601 7.4932 7.4932 7.5804 7.5804 8.5405 8.5405 8.9499 8.9499 9.2426 9.2426 9.3027 9.3027 9.4236 9.4236 9.6257 9.6257 9.9806 9.9806 10.7607 10.7607 11.5041 11.5041 12.5895 12.5895 k =-0.1862 0.3845 0.4272 ( 3096 PWs) bands (ev): -31.2376 -31.2376 -12.5429 -12.5429 -12.1954 -12.1954 -12.1024 -12.1024 -2.0808 -2.0808 -0.7192 -0.7192 4.4439 4.4439 5.3706 5.3706 5.8173 5.8173 6.7515 6.7515 7.5080 7.5080 7.5565 7.5565 8.5025 8.5025 8.9596 8.9596 9.2554 9.2554 9.3396 9.3396 9.4494 9.4494 9.6315 9.6315 9.9766 9.9766 10.7833 10.7833 11.4532 11.4532 12.6258 12.6258 k =-0.1800 0.3716 0.4129 ( 3090 PWs) bands (ev): -31.2377 -31.2377 -12.5416 -12.5416 -12.1941 -12.1941 -12.1027 -12.1027 -2.1163 -2.1163 -0.7066 -0.7066 4.4597 4.4597 5.3594 5.3594 5.8635 5.8635 6.7435 6.7435 7.5188 7.5188 7.5349 7.5349 8.4653 8.4653 8.9698 8.9698 9.2663 9.2663 9.3783 9.3783 9.4751 9.4751 9.6395 9.6395 9.9754 9.9754 10.8076 10.8076 11.4042 11.4042 12.6624 12.6624 k =-0.1738 0.3588 0.3987 ( 3086 PWs) bands (ev): -31.2379 -31.2379 -12.5402 -12.5402 -12.1926 -12.1926 -12.1031 -12.1031 -2.1523 -2.1523 -0.6954 -0.6954 4.4698 4.4698 5.3573 5.3573 5.9132 5.9132 6.7359 6.7359 7.5017 7.5017 7.5399 7.5399 8.4290 8.4290 8.9800 8.9800 9.2765 9.2765 9.4172 9.4172 9.5002 9.5002 9.6499 9.6499 9.9769 9.9769 10.8336 10.8336 11.3570 11.3570 12.6996 12.6996 k =-0.1676 0.3460 0.3845 ( 3084 PWs) bands (ev): -31.2381 -31.2381 -12.5387 -12.5387 -12.1911 -12.1911 -12.1034 -12.1034 -2.1887 -2.1887 -0.6855 -0.6855 4.4731 4.4731 5.3654 5.3654 5.9660 5.9660 6.7288 6.7288 7.4757 7.4757 7.5528 7.5528 8.3936 8.3936 8.9902 8.9902 9.2862 9.2862 9.4558 9.4558 9.5249 9.5249 9.6621 9.6621 9.9814 9.9814 10.8612 10.8612 11.3119 11.3119 12.7373 12.7373 k =-0.1614 0.3332 0.3702 ( 3080 PWs) bands (ev): -31.2382 -31.2382 -12.5372 -12.5372 -12.1895 -12.1895 -12.1038 -12.1038 -2.2252 -2.2252 -0.6769 -0.6769 4.4691 4.4691 5.3839 5.3839 6.0217 6.0217 6.7221 6.7221 7.4489 7.4489 7.5658 7.5658 8.3592 8.3592 9.0003 9.0003 9.2953 9.2953 9.4940 9.4940 9.5491 9.5491 9.6762 9.6762 9.9887 9.9887 10.8904 10.8904 11.2688 11.2688 12.7731 12.7731 k =-0.1552 0.3204 0.3560 ( 3084 PWs) bands (ev): -31.2385 -31.2385 -12.5357 -12.5357 -12.1878 -12.1878 -12.1042 -12.1042 -2.2616 -2.2616 -0.6694 -0.6694 4.4581 4.4581 5.4126 5.4126 6.0798 6.0798 6.7157 6.7157 7.4223 7.4223 7.5782 7.5782 8.3256 8.3256 9.0100 9.0100 9.3040 9.3040 9.5312 9.5312 9.5731 9.5731 9.6919 9.6919 9.9989 9.9989 10.9212 10.9212 11.2276 11.2276 12.7232 12.7232 k =-0.1490 0.3076 0.3417 ( 3082 PWs) bands (ev): -31.2387 -31.2387 -12.5341 -12.5341 -12.1860 -12.1860 -12.1046 -12.1046 -2.2979 -2.2979 -0.6630 -0.6630 4.4408 4.4408 5.4507 5.4507 6.1400 6.1400 6.7099 6.7099 7.3964 7.3964 7.5901 7.5901 8.2932 8.2932 9.0191 9.0191 9.3123 9.3123 9.5675 9.5675 9.5970 9.5970 9.7091 9.7091 10.0118 10.0118 10.9535 10.9535 11.1886 11.1886 12.6478 12.6478 k =-0.1428 0.2947 0.3275 ( 3080 PWs) bands (ev): -31.2389 -31.2389 -12.5325 -12.5325 -12.1841 -12.1841 -12.1050 -12.1050 -2.3338 -2.3338 -0.6577 -0.6577 4.4182 4.4182 5.4968 5.4968 6.2018 6.2018 6.7044 6.7044 7.3714 7.3714 7.6015 7.6015 8.2618 8.2618 9.0276 9.0276 9.3199 9.3199 9.6026 9.6026 9.6213 9.6213 9.7275 9.7275 10.0273 10.0273 10.9870 10.9870 11.1517 11.1517 12.5711 12.5711 k =-0.1366 0.2819 0.3133 ( 3072 PWs) bands (ev): -31.2391 -31.2391 -12.5309 -12.5309 -12.1822 -12.1822 -12.1054 -12.1054 -2.3692 -2.3692 -0.6533 -0.6533 4.3915 4.3915 5.5498 5.5498 6.2646 6.2646 6.6993 6.6993 7.3480 7.3480 7.6123 7.6123 8.2315 8.2315 9.0352 9.0352 9.3271 9.3271 9.6354 9.6354 9.6469 9.6469 9.7472 9.7472 10.0451 10.0451 11.0215 11.0215 11.1175 11.1175 12.4946 12.4946 k =-0.1304 0.2691 0.2990 ( 3068 PWs) bands (ev): -31.2393 -31.2393 -12.5294 -12.5294 -12.1803 -12.1803 -12.1058 -12.1058 -2.4040 -2.4040 -0.6498 -0.6498 4.3618 4.3618 5.6082 5.6082 6.3278 6.3278 6.6947 6.6947 7.3266 7.3266 7.6224 7.6224 8.2023 8.2023 9.0418 9.0418 9.3336 9.3336 9.6643 9.6643 9.6755 9.6755 9.7680 9.7680 10.0651 10.0651 11.0536 11.0536 11.0890 11.0890 12.4191 12.4192 k =-0.1241 0.2563 0.2848 ( 3068 PWs) bands (ev): -31.2395 -31.2395 -12.5278 -12.5278 -12.1783 -12.1783 -12.1061 -12.1061 -2.4380 -2.4380 -0.6472 -0.6472 4.3300 4.3300 5.6708 5.6708 6.3905 6.3905 6.6905 6.6905 7.3077 7.3077 7.6320 7.6320 8.1742 8.1742 9.0474 9.0474 9.3395 9.3395 9.6904 9.6904 9.7060 9.7060 9.7900 9.7900 10.0870 10.0870 11.0474 11.0474 11.1019 11.1019 12.3456 12.3456 k =-0.1179 0.2435 0.2705 ( 3064 PWs) bands (ev): -31.2397 -31.2397 -12.5263 -12.5263 -12.1763 -12.1763 -12.1065 -12.1065 -2.4711 -2.4711 -0.6453 -0.6453 4.2970 4.2970 5.7365 5.7365 6.4518 6.4518 6.6868 6.6868 7.2921 7.2921 7.6410 7.6410 8.1473 8.1473 9.0518 9.0518 9.3447 9.3447 9.7158 9.7158 9.7362 9.7362 9.8133 9.8133 10.1106 10.1106 11.0203 11.0203 11.1388 11.1388 12.2745 12.2745 k =-0.1117 0.2307 0.2563 ( 3072 PWs) bands (ev): -31.2399 -31.2399 -12.5248 -12.5248 -12.1743 -12.1743 -12.1069 -12.1069 -2.5032 -2.5032 -0.6440 -0.6440 4.2634 4.2634 5.8044 5.8044 6.5104 6.5104 6.6837 6.6837 7.2805 7.2805 7.6494 7.6494 8.1217 8.1217 9.0553 9.0553 9.3491 9.3491 9.7410 9.7410 9.7652 9.7652 9.8377 9.8377 10.1360 10.1360 10.9936 10.9936 11.1782 11.1782 12.2061 12.2061 k =-0.1055 0.2179 0.2421 ( 3062 PWs) bands (ev): -31.2401 -31.2401 -12.5234 -12.5234 -12.1723 -12.1723 -12.1072 -12.1072 -2.5342 -2.5342 -0.6433 -0.6433 4.2298 4.2298 5.8736 5.8736 6.5646 6.5646 6.6816 6.6816 7.2741 7.2741 7.6573 7.6573 8.0972 8.0972 9.0577 9.0577 9.3529 9.3529 9.7662 9.7662 9.7931 9.7931 9.8633 9.8633 10.1630 10.1630 10.9687 10.9687 11.2187 11.2187 12.1410 12.1410 k =-0.0993 0.2050 0.2278 ( 3066 PWs) bands (ev): -31.2404 -31.2404 -12.5220 -12.5220 -12.1704 -12.1704 -12.1075 -12.1075 -2.5639 -2.5639 -0.6431 -0.6431 4.1966 4.1966 5.9433 5.9433 6.6120 6.6120 6.6815 6.6815 7.2738 7.2738 7.6647 7.6647 8.0740 8.0740 9.0591 9.0591 9.3558 9.3558 9.7909 9.7909 9.8198 9.8198 9.8898 9.8898 10.1916 10.1916 10.9454 10.9454 11.2600 11.2600 12.0795 12.0795 k =-0.0931 0.1922 0.2136 ( 3066 PWs) bands (ev): -31.2406 -31.2406 -12.5207 -12.5207 -12.1684 -12.1684 -12.1078 -12.1078 -2.5924 -2.5924 -0.6434 -0.6434 4.1642 4.1642 6.0127 6.0127 6.6463 6.6463 6.6884 6.6884 7.2806 7.2806 7.6716 7.6716 8.0521 8.0521 9.0597 9.0597 9.3580 9.3580 9.8151 9.8151 9.8455 9.8455 9.9167 9.9167 10.2221 10.2221 10.9238 10.9238 11.3018 11.3018 12.0217 12.0217 k =-0.0869 0.1794 0.1994 ( 3072 PWs) bands (ev): -31.2408 -31.2408 -12.5195 -12.5195 -12.1666 -12.1666 -12.1081 -12.1081 -2.6194 -2.6194 -0.6439 -0.6439 4.1329 4.1329 6.0811 6.0811 6.6591 6.6591 6.7095 6.7095 7.2953 7.2953 7.6780 7.6780 8.0314 8.0314 9.0596 9.0596 9.3592 9.3592 9.8385 9.8385 9.8701 9.8701 9.9437 9.9437 10.2544 10.2544 10.9041 10.9041 11.3439 11.3439 11.9682 11.9682 k =-0.0807 0.1666 0.1851 ( 3072 PWs) bands (ev): -31.2410 -31.2410 -12.5183 -12.5183 -12.1648 -12.1648 -12.1083 -12.1083 -2.6448 -2.6448 -0.6448 -0.6448 4.1030 4.1030 6.1478 6.1478 6.6612 6.6612 6.7335 6.7335 7.3177 7.3177 7.6841 7.6841 8.0121 8.0121 9.0588 9.0588 9.3597 9.3597 9.8612 9.8612 9.8936 9.8936 9.9704 9.9704 10.2888 10.2888 10.8860 10.8860 11.3859 11.3859 11.9191 11.9191 k =-0.0745 0.1538 0.1709 ( 3070 PWs) bands (ev): -31.2411 -31.2411 -12.5172 -12.5172 -12.1631 -12.1631 -12.1085 -12.1085 -2.6687 -2.6687 -0.6459 -0.6459 4.0747 4.0747 6.2123 6.2123 6.6610 6.6610 6.7523 6.7523 7.3471 7.3471 7.6898 7.6898 7.9941 7.9941 9.0576 9.0576 9.3594 9.3594 9.8831 9.8831 9.9159 9.9159 9.9962 9.9962 10.3253 10.3253 10.8695 10.8695 11.4276 11.4276 11.8747 11.8747 k =-0.0683 0.1410 0.1566 ( 3070 PWs) bands (ev): -31.2413 -31.2413 -12.5161 -12.5161 -12.1615 -12.1615 -12.1086 -12.1086 -2.6910 -2.6910 -0.6471 -0.6471 4.0482 4.0482 6.2739 6.2739 6.6604 6.6604 6.7652 6.7652 7.3818 7.3818 7.6954 7.6954 7.9776 7.9776 9.0559 9.0559 9.3583 9.3583 9.9041 9.9041 9.9369 9.9369 10.0207 10.0207 10.3637 10.3637 10.8546 10.8546 11.4685 11.4685 11.8354 11.8354 k =-0.0621 0.1282 0.1424 ( 3074 PWs) bands (ev): -31.2415 -31.2415 -12.5152 -12.5152 -12.1600 -12.1600 -12.1088 -12.1088 -2.7115 -2.7115 -0.6484 -0.6484 4.0235 4.0235 6.3319 6.3319 6.6599 6.6599 6.7729 6.7729 7.4200 7.4200 7.7008 7.7008 7.9624 7.9624 9.0540 9.0540 9.3565 9.3565 9.9242 9.9242 9.9564 9.9564 10.0435 10.0435 10.4037 10.4037 10.8412 10.8412 11.5083 11.5083 11.8016 11.8016 k =-0.0559 0.1153 0.1282 ( 3078 PWs) bands (ev): -31.2416 -31.2416 -12.5144 -12.5144 -12.1586 -12.1586 -12.1089 -12.1089 -2.7303 -2.7303 -0.6498 -0.6498 4.0009 4.0009 6.3858 6.3858 6.6597 6.6597 6.7767 6.7767 7.4596 7.4596 7.7063 7.7063 7.9486 7.9486 9.0519 9.0519 9.3541 9.3541 9.9431 9.9431 9.9745 9.9745 10.0643 10.0643 10.4449 10.4449 10.8294 10.8294 11.5464 11.5464 11.7738 11.7738 k =-0.0497 0.1025 0.1139 ( 3074 PWs) bands (ev): -31.2418 -31.2418 -12.5136 -12.5136 -12.1573 -12.1573 -12.1089 -12.1089 -2.7472 -2.7472 -0.6511 -0.6511 3.9804 3.9804 6.4348 6.4348 6.6601 6.6601 6.7778 6.7778 7.4985 7.4985 7.7121 7.7121 7.9363 7.9363 9.0498 9.0498 9.3513 9.3513 9.9608 9.9608 9.9910 9.9910 10.0831 10.0831 10.4865 10.4865 10.8189 10.8189 11.5823 11.5823 11.7523 11.7523 k =-0.0435 0.0897 0.0997 ( 3074 PWs) bands (ev): -31.2419 -31.2419 -12.5129 -12.5129 -12.1562 -12.1562 -12.1090 -12.1090 -2.7622 -2.7622 -0.6524 -0.6524 3.9621 3.9621 6.4783 6.4783 6.6614 6.6614 6.7771 6.7771 7.5349 7.5349 7.7185 7.7185 7.9254 7.9254 9.0476 9.0476 9.3482 9.3482 9.9768 9.9768 10.0061 10.0061 10.0996 10.0996 10.5276 10.5276 10.8098 10.8098 11.6150 11.6150 11.7378 11.7378 k =-0.0372 0.0769 0.0854 ( 3074 PWs) bands (ev): -31.2420 -31.2420 -12.5123 -12.5123 -12.1552 -12.1552 -12.1090 -12.1090 -2.7753 -2.7753 -0.6536 -0.6536 3.9461 3.9461 6.5157 6.5157 6.6637 6.6637 6.7754 6.7754 7.5673 7.5673 7.7257 7.7257 7.9159 7.9159 9.0457 9.0457 9.3450 9.3450 9.9911 9.9911 10.0196 10.0196 10.1140 10.1140 10.5669 10.5669 10.8021 10.8021 11.6434 11.6434 11.7311 11.7311 k =-0.0310 0.0641 0.0712 ( 3078 PWs) bands (ev): -31.2421 -31.2421 -12.5118 -12.5118 -12.1544 -12.1544 -12.1090 -12.1090 -2.7865 -2.7865 -0.6547 -0.6547 3.9325 3.9325 6.5460 6.5460 6.6675 6.6675 6.7733 6.7733 7.5943 7.5943 7.7338 7.7338 7.9079 7.9079 9.0438 9.0438 9.3417 9.3417 10.0034 10.0034 10.0314 10.0314 10.1261 10.1261 10.6032 10.6032 10.7955 10.7955 11.6658 11.6658 11.7331 11.7331 k =-0.0248 0.0513 0.0570 ( 3074 PWs) bands (ev): -31.2421 -31.2421 -12.5114 -12.5114 -12.1537 -12.1537 -12.1090 -12.1090 -2.7956 -2.7956 -0.6556 -0.6556 3.9213 3.9213 6.5690 6.5690 6.6728 6.6728 6.7711 6.7711 7.6154 7.6154 7.7428 7.7428 7.9015 7.9015 9.0423 9.0423 9.3387 9.3387 10.0136 10.0136 10.0415 10.0415 10.1360 10.1360 10.6351 10.6351 10.7901 10.7901 11.6820 11.6820 11.7427 11.7427 k =-0.0186 0.0384 0.0427 ( 3070 PWs) bands (ev): -31.2422 -31.2422 -12.5110 -12.5110 -12.1532 -12.1532 -12.1090 -12.1090 -2.8028 -2.8028 -0.6564 -0.6564 3.9125 3.9125 6.5849 6.5849 6.6792 6.6792 6.7693 6.7693 7.6306 7.6306 7.7516 7.7516 7.8965 7.8965 9.0411 9.0411 9.3363 9.3363 10.0214 10.0214 10.0496 10.0496 10.1437 10.1437 10.6615 10.6615 10.7862 10.7862 11.6938 11.6938 11.7562 11.7562 k =-0.0124 0.0256 0.0285 ( 3069 PWs) bands (ev): -31.2422 -31.2422 -12.5108 -12.5108 -12.1528 -12.1528 -12.1090 -12.1090 -2.8079 -2.8079 -0.6569 -0.6569 3.9063 3.9063 6.5947 6.5947 6.6853 6.6853 6.7678 6.7678 7.6405 7.6405 7.7593 7.7593 7.8930 7.8930 9.0402 9.0402 9.3343 9.3343 10.0270 10.0270 10.0557 10.0557 10.1492 10.1492 10.6813 10.6813 10.7832 10.7832 11.7027 11.7027 11.7691 11.7691 k =-0.0062 0.0128 0.0142 ( 3067 PWs) bands (ev): -31.2423 -31.2423 -12.5107 -12.5107 -12.1525 -12.1525 -12.1090 -12.1090 -2.8110 -2.8110 -0.6573 -0.6573 3.9025 3.9025 6.5999 6.5999 6.6897 6.6897 6.7670 6.7670 7.6460 7.6460 7.7645 7.7645 7.8910 7.8910 9.0397 9.0397 9.3331 9.3331 10.0304 10.0304 10.0593 10.0593 10.1525 10.1525 10.6934 10.6934 10.7814 10.7814 11.7087 11.7087 11.7783 11.7783 k = 0.0000 0.0000 0.0000 ( 3071 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1525 -12.1525 -12.1090 -12.1090 -2.8120 -2.8120 -0.6574 -0.6574 3.9012 3.9012 6.6014 6.6014 6.6913 6.6913 6.7666 6.7666 7.6477 7.6477 7.7663 7.7663 7.8903 7.8903 9.0395 9.0395 9.3327 9.3327 10.0315 10.0315 10.0606 10.0606 10.1536 10.1536 10.6976 10.6976 10.7807 10.7807 11.7108 11.7108 11.7816 11.7816 k = 0.0000 0.0000 0.0000 ( 3071 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1525 -12.1525 -12.1090 -12.1090 -2.8120 -2.8120 -0.6574 -0.6574 3.9012 3.9012 6.6014 6.6014 6.6913 6.6913 6.7666 6.7666 7.6477 7.6477 7.7663 7.7663 7.8903 7.8903 9.0395 9.0395 9.3327 9.3327 10.0315 10.0315 10.0606 10.0606 10.1536 10.1536 10.6976 10.6976 10.7807 10.7807 11.7108 11.7108 11.7816 11.7816 k = 0.0179 0.0086-0.0000 ( 3063 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1525 -12.1525 -12.1090 -12.1090 -2.8108 -2.8108 -0.6602 -0.6602 3.9050 3.9050 6.6018 6.6018 6.6917 6.6917 6.7661 6.7661 7.6469 7.6469 7.7655 7.7655 7.8903 7.8903 9.0397 9.0397 9.3304 9.3304 10.0317 10.0317 10.0608 10.0608 10.1538 10.1538 10.7009 10.7009 10.7808 10.7808 11.7128 11.7128 11.7835 11.7835 k = 0.0357 0.0173-0.0000 ( 3063 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1525 -12.1525 -12.1090 -12.1090 -2.8073 -2.8073 -0.6687 -0.6687 3.9162 3.9162 6.6027 6.6027 6.6926 6.6926 6.7643 6.7643 7.6443 7.6443 7.7630 7.7630 7.8903 7.8903 9.0404 9.0404 9.3237 9.3237 10.0322 10.0322 10.0613 10.0613 10.1544 10.1544 10.7106 10.7106 10.7808 10.7808 11.7183 11.7183 11.7890 11.7890 k = 0.0536 0.0259-0.0000 ( 3055 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1524 -12.1524 -12.1090 -12.1090 -2.8014 -2.8014 -0.6827 -0.6827 3.9348 3.9348 6.6042 6.6042 6.6941 6.6941 6.7613 6.7613 7.6401 7.6401 7.7590 7.7590 7.8904 7.8904 9.0415 9.0415 9.3129 9.3129 10.0331 10.0331 10.0623 10.0623 10.1553 10.1553 10.7266 10.7266 10.7808 10.7808 11.7275 11.7275 11.7982 11.7982 k = 0.0714 0.0346-0.0000 ( 3051 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1524 -12.1524 -12.1090 -12.1090 -2.7931 -2.7931 -0.7021 -0.7021 3.9604 3.9604 6.6063 6.6063 6.6963 6.6963 6.7572 6.7572 7.6343 7.6343 7.7534 7.7534 7.8903 7.8903 9.0431 9.0431 9.2983 9.2983 10.0342 10.0342 10.0635 10.0635 10.1565 10.1565 10.7483 10.7483 10.7808 10.7808 11.7403 11.7403 11.8110 11.8110 k = 0.0893 0.0432-0.0000 ( 3059 PWs) bands (ev): -31.2423 -31.2423 -12.5106 -12.5106 -12.1525 -12.1525 -12.1091 -12.1091 -2.7825 -2.7825 -0.7266 -0.7266 3.9927 3.9927 6.6088 6.6088 6.6989 6.6989 6.7521 6.7521 7.6269 7.6269 7.7462 7.7462 7.8903 7.8903 9.0452 9.0452 9.2803 9.2803 10.0356 10.0356 10.0650 10.0650 10.1578 10.1578 10.7755 10.7755 10.7808 10.7808 11.7564 11.7564 11.8271 11.8271 k = 0.1071 0.0519-0.0000 ( 3059 PWs) bands (ev): -31.2423 -31.2423 -12.5107 -12.5107 -12.1525 -12.1525 -12.1092 -12.1092 -2.7696 -2.7696 -0.7559 -0.7559 4.0314 4.0314 6.6118 6.6118 6.7021 6.7021 6.7461 6.7461 7.6181 7.6181 7.7377 7.7377 7.8905 7.8905 9.0477 9.0477 9.2596 9.2596 10.0374 10.0374 10.0669 10.0669 10.1593 10.1593 10.7808 10.7808 10.8074 10.8074 11.7756 11.7756 11.8464 11.8464 k = 0.1250 0.0605-0.0000 ( 3059 PWs) bands (ev): -31.2423 -31.2423 -12.5107 -12.5107 -12.1525 -12.1525 -12.1093 -12.1093 -2.7544 -2.7544 -0.7897 -0.7897 4.0760 4.0760 6.6152 6.6152 6.7059 6.7059 6.7395 6.7395 7.6079 7.6079 7.7278 7.7278 7.8906 7.8906 9.0507 9.0507 9.2368 9.2368 10.0395 10.0395 10.0690 10.0690 10.1609 10.1609 10.7808 10.7808 10.8434 10.8434 11.7978 11.7978 11.8687 11.8687 k = 0.1429 0.0692-0.0000 ( 3071 PWs) bands (ev): -31.2423 -31.2423 -12.5108 -12.5108 -12.1525 -12.1525 -12.1095 -12.1095 -2.7369 -2.7369 -0.8277 -0.8277 4.1258 4.1258 6.6190 6.6190 6.7101 6.7101 6.7324 6.7324 7.5964 7.5964 7.7167 7.7167 7.8909 7.8909 9.0542 9.0542 9.2122 9.2122 10.0419 10.0419 10.0713 10.0713 10.1625 10.1625 10.7808 10.7808 10.8830 10.8830 11.8226 11.8226 11.8937 11.8937 k = 0.1607 0.0778-0.0000 ( 3075 PWs) bands (ev): -31.2423 -31.2423 -12.5108 -12.5108 -12.1525 -12.1525 -12.1096 -12.1096 -2.7171 -2.7171 -0.8695 -0.8695 4.1804 4.1804 6.6230 6.6230 6.7148 6.7148 6.7250 6.7250 7.5838 7.5838 7.7045 7.7045 7.8911 7.8911 9.0582 9.0582 9.1867 9.1867 10.0445 10.0445 10.0738 10.0738 10.1642 10.1642 10.7808 10.7808 10.9254 10.9254 11.8496 11.8496 11.9212 11.9212 k = 0.1786 0.0865-0.0000 ( 3075 PWs) bands (ev): -31.2423 -31.2423 -12.5109 -12.5109 -12.1525 -12.1525 -12.1098 -12.1098 -2.6951 -2.6951 -0.9146 -0.9146 4.2391 4.2391 6.6272 6.6272 6.7177 6.7177 6.7201 6.7201 7.5702 7.5702 7.6914 7.6914 7.8914 7.8914 9.0628 9.0628 9.1606 9.1606 10.0473 10.0473 10.0764 10.0764 10.1659 10.1659 10.7808 10.7808 10.9701 10.9701 11.8782 11.8782 11.9508 11.9508 k = 0.1964 0.0951-0.0000 ( 3071 PWs) bands (ev): -31.2423 -31.2423 -12.5109 -12.5109 -12.1525 -12.1525 -12.1099 -12.1099 -2.6708 -2.6708 -0.9628 -0.9628 4.3013 4.3013 6.6312 6.6312 6.7109 6.7109 6.7257 6.7257 7.5559 7.5559 7.6775 7.6775 7.8917 7.8917 9.0679 9.0679 9.1342 9.1342 10.0505 10.0505 10.0792 10.0792 10.1676 10.1676 10.7808 10.7808 11.0164 11.0164 11.9070 11.9070 11.9823 11.9823 k = 0.2143 0.1038-0.0000 ( 3079 PWs) bands (ev): -31.2423 -31.2423 -12.5110 -12.5110 -12.1525 -12.1525 -12.1100 -12.1100 -2.6443 -2.6443 -1.0137 -1.0137 4.3661 4.3661 6.6347 6.6347 6.7050 6.7050 6.7316 6.7316 7.5408 7.5408 7.6630 7.6630 7.8921 7.8921 9.0736 9.0736 9.1079 9.1079 10.0537 10.0537 10.0820 10.0820 10.1694 10.1694 10.7805 10.7805 11.0638 11.0638 11.9291 11.9291 12.0152 12.0152 k = 0.2321 0.1124-0.0000 ( 3079 PWs) bands (ev): -31.2423 -31.2423 -12.5110 -12.5110 -12.1525 -12.1525 -12.1102 -12.1102 -2.6157 -2.6157 -1.0668 -1.0668 4.4329 4.4329 6.6373 6.6373 6.7007 6.7007 6.7379 6.7379 7.5252 7.5252 7.6480 7.6480 7.8924 7.8924 9.0799 9.0799 9.0821 9.0821 10.0570 10.0570 10.0848 10.0848 10.1712 10.1712 10.7805 10.7805 11.1117 11.1117 11.8919 11.8919 12.0081 12.0081 k = 0.2500 0.1211-0.0000 ( 3079 PWs) bands (ev): -31.2423 -31.2423 -12.5110 -12.5110 -12.1525 -12.1525 -12.1103 -12.1103 -2.5850 -2.5850 -1.1218 -1.1218 4.5009 4.5009 6.6385 6.6385 6.6983 6.6983 6.7445 6.7445 7.5092 7.5092 7.6326 7.6326 7.8928 7.8928 9.0571 9.0571 9.0868 9.0868 10.0605 10.0605 10.0876 10.0876 10.1730 10.1730 10.7805 10.7805 11.1595 11.1595 11.7781 11.7781 12.0283 12.0284 k = 0.2679 0.1297-0.0000 ( 3075 PWs) bands (ev): -31.2423 -31.2423 -12.5111 -12.5111 -12.1525 -12.1525 -12.1104 -12.1104 -2.5522 -2.5522 -1.1784 -1.1784 4.5693 4.5693 6.6383 6.6383 6.6983 6.6983 6.7513 6.7513 7.4931 7.4931 7.6172 7.6172 7.8931 7.8931 9.0330 9.0330 9.0944 9.0944 10.0639 10.0639 10.0904 10.0904 10.1748 10.1748 10.7804 10.7804 11.2068 11.2068 11.6498 11.6498 12.0601 12.0601 k = 0.2857 0.1384-0.0000 ( 3071 PWs) bands (ev): -31.2423 -31.2423 -12.5111 -12.5111 -12.1525 -12.1525 -12.1106 -12.1106 -2.5174 -2.5174 -1.2363 -1.2363 4.6372 4.6372 6.6367 6.6367 6.7005 6.7005 6.7582 6.7582 7.4770 7.4770 7.6018 7.6018 7.8935 7.8935 9.0101 9.0101 9.1027 9.1027 10.0674 10.0674 10.0931 10.0931 10.1766 10.1766 10.7804 10.7804 11.2530 11.2530 11.5191 11.5191 12.0937 12.0937 k = 0.3036 0.1470-0.0000 ( 3071 PWs) bands (ev): -31.2423 -31.2423 -12.5111 -12.5111 -12.1525 -12.1525 -12.1107 -12.1107 -2.4806 -2.4806 -1.2952 -1.2952 4.7039 4.7039 6.6344 6.6344 6.7044 6.7044 6.7651 6.7651 7.4611 7.4611 7.5867 7.5867 7.8939 7.8939 8.9885 8.9885 9.1115 9.1115 10.0707 10.0707 10.0956 10.0956 10.1784 10.1784 10.7804 10.7804 11.2976 11.2976 11.3895 11.3895 12.1275 12.1275 k = 0.3214 0.1557-0.0000 ( 3071 PWs) bands (ev): -31.2423 -31.2423 -12.5112 -12.5112 -12.1525 -12.1525 -12.1108 -12.1108 -2.4418 -2.4418 -1.3548 -1.3548 4.7684 4.7684 6.6318 6.6318 6.7093 6.7093 6.7720 6.7720 7.4456 7.4456 7.5720 7.5720 7.8943 7.8943 8.9683 8.9683 9.1211 9.1211 10.0740 10.0740 10.0980 10.0980 10.1803 10.1803 10.7803 10.7803 11.2634 11.2634 11.3402 11.3402 12.1606 12.1606 k = 0.3393 0.1643-0.0000 ( 3087 PWs) bands (ev): -31.2423 -31.2423 -12.5113 -12.5113 -12.1525 -12.1525 -12.1111 -12.1111 -2.4012 -2.4012 -1.4149 -1.4149 4.8300 4.8300 6.6295 6.6295 6.7149 6.7149 6.7787 6.7787 7.4308 7.4308 7.5579 7.5579 7.8946 7.8946 8.9495 8.9495 9.1310 9.1310 10.0769 10.0769 10.1001 10.1001 10.1820 10.1820 10.7803 10.7803 11.1425 11.1425 11.3803 11.3803 12.1922 12.1922 k = 0.3571 0.1730-0.0000 ( 3079 PWs) bands (ev): -31.2423 -31.2423 -12.5113 -12.5113 -12.1524 -12.1524 -12.1112 -12.1112 -2.3589 -2.3589 -1.4751 -1.4751 4.8878 4.8878 6.6277 6.6277 6.7208 6.7208 6.7851 6.7851 7.4167 7.4167 7.5446 7.5446 7.8950 7.8950 8.9327 8.9327 9.1416 9.1416 10.0798 10.0798 10.1022 10.1022 10.1839 10.1839 10.7801 10.7801 11.0285 11.0285 11.4176 11.4176 12.2220 12.2220 k = 0.3750 0.1816-0.0000 ( 3080 PWs) bands (ev): -31.2423 -31.2423 -12.5113 -12.5113 -12.1524 -12.1524 -12.1113 -12.1113 -2.3149 -2.3149 -1.5352 -1.5352 4.9409 4.9409 6.6265 6.6265 6.7266 6.7266 6.7912 6.7912 7.4037 7.4037 7.5323 7.5323 7.8953 7.8953 8.9176 8.9176 9.1525 9.1525 10.0823 10.0823 10.1039 10.1039 10.1855 10.1855 10.7798 10.7798 10.9231 10.9231 11.4515 11.4515 12.2495 12.2495 k = 0.3929 0.1903-0.0000 ( 3088 PWs) bands (ev): -31.2423 -31.2423 -12.5114 -12.5114 -12.1525 -12.1525 -12.1114 -12.1114 -2.2693 -2.2693 -1.5949 -1.5949 4.9887 4.9887 6.6260 6.6260 6.7321 6.7321 6.7968 6.7968 7.3918 7.3918 7.5212 7.5212 7.8956 7.8956 8.9044 8.9044 9.1634 9.1634 10.0843 10.0843 10.1054 10.1054 10.1869 10.1869 10.7783 10.7783 10.8286 10.8286 11.4818 11.4818 12.2742 12.2742 k = 0.4107 0.1989-0.0000 ( 3080 PWs) bands (ev): -31.2423 -31.2423 -12.5114 -12.5114 -12.1524 -12.1524 -12.1115 -12.1115 -2.2224 -2.2224 -1.6541 -1.6541 5.0304 5.0304 6.6260 6.6260 6.7371 6.7371 6.8018 6.8018 7.3814 7.3814 7.5115 7.5115 7.8959 7.8959 8.8931 8.8931 9.1741 9.1741 10.0861 10.0861 10.1068 10.1068 10.1883 10.1883 10.7391 10.7391 10.7833 10.7833 11.5081 11.5081 12.2957 12.2957 k = 0.4286 0.2076-0.0000 ( 3072 PWs) bands (ev): -31.2423 -31.2423 -12.5114 -12.5114 -12.1524 -12.1524 -12.1115 -12.1115 -2.1745 -2.1745 -1.7121 -1.7121 5.0653 5.0653 6.6264 6.6264 6.7416 6.7416 6.8061 6.8061 7.3726 7.3726 7.5033 7.5033 7.8961 7.8961 8.8839 8.8839 9.1841 9.1841 10.0874 10.0874 10.1078 10.1078 10.1895 10.1895 10.6689 10.6689 10.7817 10.7817 11.5300 11.5300 12.3139 12.3139 k = 0.4464 0.2162-0.0000 ( 3068 PWs) bands (ev): -31.2422 -31.2422 -12.5114 -12.5114 -12.1524 -12.1524 -12.1116 -12.1116 -2.1260 -2.1260 -1.7685 -1.7685 5.0931 5.0931 6.6270 6.6270 6.7452 6.7452 6.8096 6.8096 7.3656 7.3656 7.4967 7.4967 7.8963 7.8963 8.8766 8.8766 9.1927 9.1927 10.0884 10.0884 10.1087 10.1087 10.1904 10.1904 10.6117 10.6117 10.7813 10.7813 11.5473 11.5473 12.3283 12.3283 k = 0.4643 0.2249-0.0000 ( 3072 PWs) bands (ev): -31.2422 -31.2422 -12.5114 -12.5114 -12.1524 -12.1524 -12.1116 -12.1116 -2.0786 -2.0786 -1.8217 -1.8217 5.1132 5.1132 6.6276 6.6276 6.7478 6.7478 6.8120 6.8120 7.3604 7.3604 7.4920 7.4920 7.8964 7.8964 8.8714 8.8714 9.1994 9.1994 10.0890 10.0890 10.1093 10.1093 10.1911 10.1911 10.5697 10.5697 10.7812 10.7812 11.5598 11.5598 12.3386 12.3387 k = 0.4821 0.2335-0.0000 ( 3072 PWs) bands (ev): -31.2422 -31.2422 -12.5114 -12.5114 -12.1524 -12.1524 -12.1116 -12.1116 -2.0365 -2.0365 -1.8672 -1.8672 5.1254 5.1254 6.6281 6.6281 6.7494 6.7494 6.8136 6.8136 7.3573 7.3573 7.4891 7.4891 7.8965 7.8965 8.8683 8.8683 9.2037 9.2037 10.0893 10.0893 10.1096 10.1096 10.1915 10.1915 10.5440 10.5440 10.7811 10.7811 11.5674 11.5674 12.3450 12.3450 k = 0.5000 0.2422-0.0000 ( 3072 PWs) bands (ev): -31.2422 -31.2422 -12.5114 -12.5114 -12.1524 -12.1524 -12.1116 -12.1116 -2.0161 -2.0161 -1.8888 -1.8888 5.1295 5.1295 6.6282 6.6282 6.7499 6.7499 6.8141 6.8141 7.3562 7.3562 7.4881 7.4881 7.8965 7.8965 8.8672 8.8672 9.2052 9.2052 10.0894 10.0894 10.1097 10.1097 10.1916 10.1916 10.5354 10.5354 10.7811 10.7811 11.5699 11.5699 12.3471 12.3471 k = 0.5000 0.2422-0.0000 ( 3072 PWs) bands (ev): -31.2422 -31.2422 -12.5114 -12.5114 -12.1524 -12.1524 -12.1116 -12.1116 -2.0161 -2.0161 -1.8888 -1.8888 5.1295 5.1295 6.6282 6.6282 6.7499 6.7499 6.8141 6.8141 7.3562 7.3562 7.4881 7.4881 7.8965 7.8965 8.8672 8.8672 9.2052 9.2052 10.0894 10.0894 10.1097 10.1097 10.1916 10.1916 10.5354 10.5354 10.7811 10.7811 11.5699 11.5699 12.3471 12.3471 k = 0.4939 0.2548 0.0141 ( 3072 PWs) bands (ev): -31.2422 -31.2422 -12.5114 -12.5114 -12.1525 -12.1525 -12.1116 -12.1116 -2.0155 -2.0155 -1.8879 -1.8879 5.1295 5.1295 6.6253 6.6253 6.7516 6.7516 6.8151 6.8151 7.3529 7.3529 7.4846 7.4846 7.8971 7.8971 8.8701 8.8701 9.2027 9.2027 10.0901 10.0901 10.1095 10.1095 10.1914 10.1914 10.5348 10.5348 10.7813 10.7813 11.5721 11.5721 12.3456 12.3456 k = 0.4877 0.2675 0.0281 ( 3076 PWs) bands (ev): -31.2422 -31.2422 -12.5116 -12.5116 -12.1527 -12.1527 -12.1117 -12.1117 -2.0136 -2.0136 -1.8855 -1.8855 5.1298 5.1298 6.6170 6.6170 6.7563 6.7563 6.8181 6.8181 7.3424 7.3424 7.4751 7.4751 7.8989 7.8989 8.8784 8.8784 9.1956 9.1956 10.0913 10.0913 10.1095 10.1095 10.1907 10.1907 10.5332 10.5332 10.7820 10.7820 11.5787 11.5787 12.3405 12.3405 k = 0.4816 0.2802 0.0422 ( 3076 PWs) bands (ev): -31.2422 -31.2422 -12.5118 -12.5118 -12.1531 -12.1531 -12.1116 -12.1116 -2.0105 -2.0105 -1.8813 -1.8813 5.1302 5.1302 6.6041 6.6041 6.7631 6.7631 6.8231 6.8231 7.3233 7.3233 7.4615 7.4615 7.9020 7.9020 8.8915 8.8915 9.1843 9.1843 10.0906 10.0906 10.1112 10.1112 10.1904 10.1904 10.5304 10.5304 10.7831 10.7831 11.5895 11.5895 12.3300 12.3300 k = 0.4755 0.2928 0.0562 ( 3076 PWs) bands (ev): -31.2421 -31.2421 -12.5121 -12.5121 -12.1536 -12.1536 -12.1116 -12.1116 -2.0062 -2.0062 -1.8755 -1.8755 5.1306 5.1306 6.5877 6.5877 6.7709 6.7709 6.8304 6.8304 7.2938 7.2938 7.4467 7.4467 7.9063 7.9063 8.9085 8.9085 9.1699 9.1699 10.0865 10.0865 10.1146 10.1146 10.1914 10.1914 10.5265 10.5265 10.7846 10.7846 11.6042 11.6042 12.3131 12.3131 k = 0.4694 0.3055 0.0703 ( 3080 PWs) bands (ev): -31.2421 -31.2421 -12.5125 -12.5125 -12.1543 -12.1543 -12.1116 -12.1116 -2.0007 -2.0007 -1.8681 -1.8681 5.1310 5.1310 6.5683 6.5683 6.7791 6.7791 6.8397 6.8397 7.2535 7.2535 7.4323 7.4323 7.9119 7.9119 8.9278 8.9278 9.1537 9.1537 10.0795 10.0795 10.1171 10.1171 10.1957 10.1957 10.5214 10.5214 10.7863 10.7863 11.6224 11.6224 12.2900 12.2900 k = 0.4632 0.3181 0.0844 ( 3084 PWs) bands (ev): -31.2420 -31.2420 -12.5130 -12.5130 -12.1551 -12.1551 -12.1116 -12.1116 -1.9940 -1.9940 -1.8590 -1.8590 5.1311 5.1311 6.5463 6.5463 6.7875 6.7875 6.8510 6.8510 7.2031 7.2031 7.4190 7.4190 7.9188 7.9188 8.9473 8.9473 9.1377 9.1377 10.0703 10.0703 10.1161 10.1161 10.2046 10.2046 10.5150 10.5150 10.7878 10.7878 11.6438 11.6438 12.2618 12.2618 k = 0.4571 0.3308 0.0984 ( 3084 PWs) bands (ev): -31.2419 -31.2419 -12.5136 -12.5136 -12.1561 -12.1561 -12.1116 -12.1116 -1.9863 -1.9863 -1.8484 -1.8484 5.1308 5.1308 6.5221 6.5221 6.7962 6.7962 6.8641 6.8641 7.1446 7.1446 7.4064 7.4064 7.9268 7.9268 8.9641 8.9641 9.1249 9.1249 10.0591 10.0591 10.1108 10.1108 10.2183 10.2183 10.5072 10.5072 10.7893 10.7893 11.6679 11.6679 12.2302 12.2302 k = 0.4510 0.3434 0.1125 ( 3088 PWs) bands (ev): -31.2417 -31.2417 -12.5143 -12.5143 -12.1572 -12.1572 -12.1115 -12.1115 -1.9774 -1.9774 -1.8362 -1.8362 5.1299 5.1299 6.4956 6.4956 6.8051 6.8051 6.8785 6.8785 7.0799 7.0799 7.3940 7.3940 7.9363 7.9363 8.9736 8.9736 9.1197 9.1197 10.0462 10.0462 10.1018 10.1018 10.2360 10.2360 10.4980 10.4980 10.7905 10.7905 11.6942 11.6942 12.1962 12.1962 k = 0.4448 0.3561 0.1266 ( 3090 PWs) bands (ev): -31.2416 -31.2416 -12.5150 -12.5150 -12.1584 -12.1584 -12.1114 -12.1114 -1.9676 -1.9676 -1.8224 -1.8224 5.1281 5.1281 6.4672 6.4672 6.8143 6.8143 6.8933 6.8933 7.0117 7.0117 7.3815 7.3815 7.9469 7.9469 8.9724 8.9724 9.1253 9.1253 10.0316 10.0316 10.0897 10.0897 10.2564 10.2564 10.4873 10.4873 10.7912 10.7912 11.7222 11.7222 12.1610 12.1611 k = 0.4387 0.3687 0.1406 ( 3092 PWs) bands (ev): -31.2415 -31.2415 -12.5158 -12.5158 -12.1598 -12.1598 -12.1113 -12.1113 -1.9568 -1.9568 -1.8071 -1.8071 5.1251 5.1251 6.4368 6.4368 6.8240 6.8240 6.8999 6.8999 6.9499 6.9499 7.3687 7.3687 7.9589 7.9589 8.9614 8.9614 9.1409 9.1409 10.0154 10.0154 10.0752 10.0752 10.2790 10.2790 10.4750 10.4750 10.7913 10.7913 11.7515 11.7515 12.1257 12.1257 k = 0.4326 0.3814 0.1547 ( 3092 PWs) bands (ev): -31.2413 -31.2413 -12.5167 -12.5167 -12.1612 -12.1612 -12.1111 -12.1111 -1.9452 -1.9452 -1.7903 -1.7903 5.1206 5.1206 6.4047 6.4047 6.8343 6.8343 6.8514 6.8514 6.9427 6.9427 7.3554 7.3554 7.9721 7.9721 8.9445 8.9445 9.1625 9.1625 9.9976 9.9976 10.0586 10.0586 10.3030 10.3030 10.4611 10.4611 10.7908 10.7908 11.7812 11.7812 12.0909 12.0909 k = 0.4264 0.3940 0.1687 ( 3092 PWs) bands (ev): -31.2412 -31.2412 -12.5177 -12.5177 -12.1628 -12.1628 -12.1109 -12.1109 -1.9327 -1.9327 -1.7721 -1.7721 5.1141 5.1141 6.3709 6.3709 6.7789 6.7789 6.8451 6.8451 6.9603 6.9603 7.3415 7.3415 7.9866 7.9866 8.9248 8.9248 9.1867 9.1867 9.9783 9.9783 10.0400 10.0400 10.3283 10.3283 10.4457 10.4457 10.7893 10.7893 11.8108 11.8108 12.0575 12.0575 k = 0.4203 0.4067 0.1828 ( 3096 PWs) bands (ev): -31.2410 -31.2410 -12.5188 -12.5188 -12.1645 -12.1645 -12.1106 -12.1106 -1.9196 -1.9196 -1.7524 -1.7524 5.1053 5.1053 6.3355 6.3355 6.7048 6.7048 6.8565 6.8565 6.9813 6.9813 7.3271 7.3271 8.0024 8.0024 8.9042 8.9042 9.2118 9.2118 9.9574 9.9574 10.0196 10.0196 10.3539 10.3539 10.4292 10.4292 10.7868 10.7868 11.8392 11.8392 12.0261 12.0261 k = 0.4142 0.4194 0.1969 ( 3088 PWs) bands (ev): -31.2408 -31.2408 -12.5199 -12.5199 -12.1663 -12.1663 -12.1103 -12.1103 -1.9058 -1.9058 -1.7314 -1.7314 5.0936 5.0936 6.2987 6.2987 6.6319 6.6319 6.8685 6.8685 7.0041 7.0041 7.3123 7.3123 8.0195 8.0195 8.8837 8.8837 9.2364 9.2364 9.9351 9.9351 9.9977 9.9977 10.3768 10.3768 10.4146 10.4146 10.7836 10.7836 11.8652 11.8652 11.9973 11.9973 k = 0.4081 0.4320 0.2109 ( 3090 PWs) bands (ev): -31.2406 -31.2406 -12.5211 -12.5211 -12.1681 -12.1681 -12.1100 -12.1100 -1.8916 -1.8916 -1.7091 -1.7091 5.0786 5.0786 6.2606 6.2606 6.5617 6.5617 6.8812 6.8812 7.0281 7.0281 7.2970 7.2970 8.0379 8.0379 8.8639 8.8639 9.2597 9.2597 9.9113 9.9113 9.9741 9.9741 10.3777 10.3777 10.4207 10.4207 10.7792 10.7792 11.8872 11.8872 11.9715 11.9715 k = 0.4019 0.4447 0.2250 ( 3084 PWs) bands (ev): -31.2404 -31.2404 -12.5223 -12.5223 -12.1700 -12.1700 -12.1097 -12.1097 -1.8769 -1.8769 -1.6855 -1.6855 5.0600 5.0600 6.2215 6.2215 6.4951 6.4951 6.8944 6.8944 7.0531 7.0531 7.2813 7.2813 8.0575 8.0575 8.8453 8.8453 9.2815 9.2815 9.8861 9.8861 9.9491 9.9491 10.3585 10.3585 10.4457 10.4457 10.7740 10.7740 11.9027 11.9027 11.9499 11.9499 k = 0.3958 0.4573 0.2390 ( 3080 PWs) bands (ev): -31.2402 -31.2402 -12.5236 -12.5236 -12.1719 -12.1719 -12.1093 -12.1093 -1.8620 -1.8620 -1.6607 -1.6607 5.0373 5.0373 6.1815 6.1815 6.4329 6.4329 6.9082 6.9082 7.0790 7.0790 7.2656 7.2656 8.0783 8.0783 8.8281 8.8281 9.3011 9.3011 9.8595 9.8595 9.9226 9.9226 10.3348 10.3348 10.4734 10.4734 10.7678 10.7678 11.9080 11.9080 11.9342 11.9342 k = 0.3897 0.4700 0.2531 ( 3086 PWs) bands (ev): -31.2400 -31.2400 -12.5250 -12.5250 -12.1739 -12.1739 -12.1089 -12.1089 -1.8469 -1.8469 -1.6348 -1.6348 5.0102 5.0102 6.1410 6.1410 6.3757 6.3757 6.9226 6.9226 7.1053 7.1053 7.2499 7.2499 8.1004 8.1004 8.8123 8.8123 9.3183 9.3183 9.8316 9.8316 9.8948 9.8948 10.3089 10.3089 10.5012 10.5012 10.7608 10.7608 11.9011 11.9011 11.9246 11.9246 k = 0.3835 0.4826 0.2672 ( 3090 PWs) bands (ev): -31.2398 -31.2398 -12.5264 -12.5264 -12.1759 -12.1759 -12.1085 -12.1085 -1.8318 -1.8318 -1.6078 -1.6078 4.9788 4.9788 6.1001 6.1001 6.3239 6.3239 6.9375 6.9375 7.1311 7.1311 7.2353 7.2353 8.1236 8.1236 8.7983 8.7983 9.3330 9.3330 9.8022 9.8022 9.8657 9.8657 10.2814 10.2814 10.5279 10.5279 10.7530 10.7530 11.8896 11.8896 11.9125 11.9125 k = 0.3774 0.4953 0.2812 ( 3084 PWs) bands (ev): -31.2396 -31.2396 -12.5279 -12.5279 -12.1778 -12.1778 -12.1080 -12.1080 -1.8169 -1.8169 -1.5799 -1.5799 4.9430 4.9430 6.0592 6.0592 6.2775 6.2775 6.9529 6.9529 7.1540 7.1540 7.2243 7.2243 8.1483 8.1483 8.7861 8.7861 9.3450 9.3450 9.7717 9.7717 9.8356 9.8356 10.2526 10.2526 10.5527 10.5527 10.7447 10.7447 11.8758 11.8758 11.8963 11.8963 k = 0.3713 0.5079 0.2953 ( 3088 PWs) bands (ev): -31.2393 -31.2393 -12.5294 -12.5294 -12.1798 -12.1798 -12.1076 -12.1076 -1.8022 -1.8022 -1.5509 -1.5509 4.9033 4.9033 6.0185 6.0185 6.2365 6.2365 6.9689 6.9689 7.1658 7.1658 7.2248 7.2248 8.1740 8.1740 8.7756 8.7756 9.3541 9.3541 9.7398 9.7398 9.8045 9.8045 10.2226 10.2226 10.5743 10.5743 10.7360 10.7360 11.8531 11.8531 11.8847 11.8847 k = 0.3651 0.5206 0.3094 ( 3092 PWs) bands (ev): -31.2391 -31.2391 -12.5309 -12.5309 -12.1817 -12.1817 -12.1071 -12.1071 -1.7879 -1.7879 -1.5212 -1.5212 4.8601 4.8601 5.9784 5.9784 6.2004 6.2004 6.9851 6.9851 7.1606 7.1606 7.2428 7.2428 8.2009 8.2009 8.7670 8.7670 9.3604 9.3604 9.7067 9.7067 9.7725 9.7725 10.1917 10.1917 10.5917 10.5917 10.7270 10.7270 11.8227 11.8227 11.8803 11.8803 k = 0.3590 0.5333 0.3234 ( 3084 PWs) bands (ev): -31.2389 -31.2389 -12.5324 -12.5324 -12.1836 -12.1836 -12.1066 -12.1066 -1.7742 -1.7742 -1.4906 -1.4906 4.8141 4.8141 5.9388 5.9388 6.1689 6.1689 7.0019 7.0019 7.1472 7.1472 7.2694 7.2694 8.2291 8.2291 8.7605 8.7605 9.3639 9.3639 9.6724 9.6724 9.7398 9.7398 10.1603 10.1603 10.6035 10.6035 10.7178 10.7178 11.7916 11.7916 11.8803 11.8803 k = 0.3529 0.5459 0.3375 ( 3080 PWs) bands (ev): -31.2387 -31.2387 -12.5339 -12.5339 -12.1854 -12.1854 -12.1061 -12.1061 -1.7613 -1.7613 -1.4594 -1.4594 4.7661 4.7661 5.9001 5.9001 6.1414 6.1414 7.0190 7.0190 7.1312 7.1312 7.2989 7.2989 8.2583 8.2583 8.7557 8.7557 9.3645 9.3645 9.6370 9.6370 9.7066 9.7066 10.1283 10.1283 10.6088 10.6088 10.7084 10.7084 11.7647 11.7647 11.8837 11.8837 k = 0.3468 0.5586 0.3515 ( 3084 PWs) bands (ev): -31.2385 -31.2385 -12.5355 -12.5355 -12.1872 -12.1872 -12.1057 -12.1057 -1.7492 -1.7492 -1.4277 -1.4277 4.7167 4.7167 5.8624 5.8624 6.1171 6.1171 7.0365 7.0365 7.1142 7.1142 7.3296 7.3296 8.2887 8.2887 8.7530 8.7530 9.3624 9.3624 9.6006 9.6006 9.6727 9.6727 10.0960 10.0960 10.6068 10.6068 10.6986 10.6986 11.7455 11.7455 11.8902 11.8902 k = 0.3406 0.5712 0.3656 ( 3084 PWs) bands (ev): -31.2383 -31.2383 -12.5369 -12.5369 -12.1889 -12.1889 -12.1052 -12.1052 -1.7382 -1.7382 -1.3954 -1.3954 4.6669 4.6669 5.8258 5.8258 6.0956 6.0956 7.0543 7.0543 7.0968 7.0968 7.3608 7.3608 8.3202 8.3202 8.7520 8.7520 9.3576 9.3576 9.5632 9.5632 9.6389 9.6389 10.0637 10.0637 10.5974 10.5974 10.6881 10.6881 11.7364 11.7364 11.8994 11.8994 k = 0.3345 0.5839 0.3797 ( 3084 PWs) bands (ev): -31.2381 -31.2381 -12.5384 -12.5384 -12.1906 -12.1906 -12.1047 -12.1047 -1.7284 -1.7284 -1.3627 -1.3627 4.6175 4.6175 5.7906 5.7906 6.0759 6.0759 7.0722 7.0722 7.0794 7.0794 7.3922 7.3922 8.3527 8.3527 8.7529 8.7529 9.3503 9.3503 9.5249 9.5249 9.6050 9.6050 10.0315 10.0315 10.5807 10.5807 10.6773 10.6773 11.7386 11.7386 11.9113 11.9113 k = 0.3284 0.5965 0.3937 ( 3084 PWs) bands (ev): -31.2379 -31.2379 -12.5398 -12.5398 -12.1921 -12.1921 -12.1043 -12.1043 -1.7200 -1.7200 -1.3297 -1.3297 4.5692 4.5692 5.7570 5.7570 6.0575 6.0575 7.0617 7.0617 7.0907 7.0907 7.4233 7.4233 8.3861 8.3861 8.7557 8.7557 9.3406 9.3406 9.4859 9.4859 9.5714 9.5714 9.9996 9.9996 10.5571 10.5571 10.6667 10.6667 11.7521 11.7521 11.9257 11.9257 k = 0.3222 0.6092 0.4078 ( 3084 PWs) bands (ev): -31.2378 -31.2378 -12.5412 -12.5412 -12.1936 -12.1936 -12.1038 -12.1038 -1.7132 -1.7132 -1.2965 -1.2965 4.5226 4.5226 5.7251 5.7251 6.0396 6.0396 7.0443 7.0443 7.1091 7.1091 7.4541 7.4541 8.4206 8.4206 8.7603 8.7603 9.3287 9.3287 9.4463 9.4463 9.5381 9.5381 9.9682 9.9682 10.5277 10.5277 10.6570 10.6570 11.7762 11.7762 11.9425 11.9425 k = 0.3161 0.6218 0.4218 ( 3096 PWs) bands (ev): -31.2376 -31.2376 -12.5426 -12.5426 -12.1949 -12.1949 -12.1035 -12.1035 -1.7080 -1.7080 -1.2633 -1.2633 4.4784 4.4784 5.6951 5.6951 6.0218 6.0218 7.0270 7.0270 7.1278 7.1278 7.4841 7.4841 8.4558 8.4558 8.7664 8.7664 9.3145 9.3145 9.4066 9.4066 9.5053 9.5053 9.9373 9.9373 10.4939 10.4939 10.6482 10.6482 11.8097 11.8097 11.9613 11.9613 k = 0.3100 0.6345 0.4359 ( 3100 PWs) bands (ev): -31.2374 -31.2374 -12.5438 -12.5438 -12.1962 -12.1962 -12.1031 -12.1031 -1.7046 -1.7046 -1.2301 -1.2301 4.4372 4.4372 5.6672 5.6672 6.0035 6.0035 7.0100 7.0100 7.1467 7.1467 7.5132 7.5132 8.4920 8.4920 8.7742 8.7742 9.2978 9.2978 9.3676 9.3676 9.4735 9.4735 9.9073 9.9073 10.4571 10.4571 10.6406 10.6406 11.8514 11.8514 11.9822 11.9822 k = 0.3038 0.6472 0.4500 ( 3096 PWs) bands (ev): -31.2373 -31.2373 -12.5450 -12.5450 -12.1973 -12.1973 -12.1027 -12.1027 -1.7032 -1.7032 -1.1970 -1.1970 4.3993 4.3993 5.6417 5.6417 5.9843 5.9843 6.9932 6.9932 7.1657 7.1657 7.5411 7.5411 8.5290 8.5290 8.7834 8.7834 9.2776 9.2776 9.3310 9.3310 9.4428 9.4428 9.8783 9.8783 10.4189 10.4189 10.6341 10.6341 11.9000 11.9000 12.0049 12.0049 k = 0.2977 0.6598 0.4640 ( 3094 PWs) bands (ev): -31.2372 -31.2372 -12.5460 -12.5460 -12.1983 -12.1983 -12.1024 -12.1024 -1.7038 -1.7038 -1.1642 -1.1642 4.3652 4.3652 5.6188 5.6188 5.9637 5.9637 6.9767 6.9767 7.1847 7.1847 7.5676 7.5676 8.5666 8.5666 8.7939 8.7939 9.2508 9.2508 9.3003 9.3003 9.4133 9.4133 9.8503 9.8503 10.3804 10.3804 10.6289 10.6289 11.9541 11.9541 12.0294 12.0294 k = 0.2916 0.6725 0.4781 ( 3096 PWs) bands (ev): -31.2371 -31.2371 -12.5470 -12.5470 -12.1992 -12.1992 -12.1021 -12.1021 -1.7065 -1.7065 -1.1317 -1.1317 4.3353 4.3353 5.5985 5.5985 5.9415 5.9415 6.9606 6.9606 7.2038 7.2038 7.5922 7.5922 8.6047 8.6047 8.8055 8.8055 9.2163 9.2163 9.2774 9.2774 9.3855 9.3855 9.8234 9.8234 10.3423 10.3423 10.6248 10.6248 12.0127 12.0127 12.0554 12.0554 k = 0.2855 0.6851 0.4922 ( 3096 PWs) bands (ev): -31.2370 -31.2370 -12.5478 -12.5478 -12.2000 -12.2000 -12.1018 -12.1018 -1.7115 -1.7115 -1.0996 -1.0996 4.3097 4.3097 5.5811 5.5811 5.9175 5.9175 6.9448 6.9448 7.2230 7.2230 7.6147 7.6147 8.6433 8.6433 8.8179 8.8179 9.1770 9.1770 9.2600 9.2600 9.3596 9.3596 9.7980 9.7980 10.3054 10.3054 10.6220 10.6220 12.0746 12.0746 12.0831 12.0831 k = 0.2793 0.6978 0.5062 ( 3096 PWs) bands (ev): -31.2369 -31.2369 -12.5485 -12.5485 -12.2007 -12.2007 -12.1015 -12.1015 -1.7187 -1.7187 -1.0682 -1.0682 4.2886 4.2886 5.5668 5.5668 5.8916 5.8916 6.9294 6.9294 7.2421 7.2421 7.6349 7.6349 8.6820 8.6820 8.8312 8.8312 9.1355 9.1355 9.2464 9.2464 9.3358 9.3358 9.7738 9.7738 10.2701 10.2701 10.6205 10.6205 12.1109 12.1109 12.1401 12.1401 k = 0.2793 0.6978 0.5062 ( 3096 PWs) bands (ev): -31.2369 -31.2369 -12.5485 -12.5485 -12.2007 -12.2007 -12.1015 -12.1015 -1.7187 -1.7187 -1.0682 -1.0682 4.2886 4.2886 5.5668 5.5668 5.8916 5.8916 6.9294 6.9294 7.2421 7.2421 7.6349 7.6349 8.6820 8.6820 8.8312 8.8312 9.1355 9.1355 9.2464 9.2464 9.3358 9.3358 9.7738 9.7738 10.2701 10.2701 10.6205 10.6205 12.1109 12.1109 12.1401 12.1401 k = 0.2607 0.6937 0.5107 ( 3095 PWs) bands (ev): -31.2369 -31.2369 -12.5487 -12.5487 -12.2008 -12.2008 -12.1015 -12.1015 -1.7221 -1.7221 -1.0575 -1.0575 4.2845 4.2845 5.5503 5.5503 5.8942 5.8942 6.9241 6.9241 7.2488 7.2488 7.6395 7.6395 8.6945 8.6945 8.8366 8.8366 9.1221 9.1221 9.2428 9.2428 9.3287 9.3287 9.7616 9.7616 10.2662 10.2662 10.6201 10.6201 12.0386 12.0386 12.2392 12.2392 k = 0.2421 0.6897 0.5152 ( 3093 PWs) bands (ev): -31.2368 -31.2368 -12.5489 -12.5489 -12.2010 -12.2010 -12.1014 -12.1014 -1.7267 -1.7267 -1.0457 -1.0457 4.2841 4.2841 5.5126 5.5126 5.9158 5.9158 6.9181 6.9181 7.2565 7.2565 7.6411 7.6411 8.7074 8.7074 8.8443 8.8443 9.1085 9.1085 9.2398 9.2398 9.3217 9.3217 9.7408 9.7408 10.2755 10.2755 10.6196 10.6196 11.9543 11.9543 12.2817 12.2817 k = 0.2235 0.6857 0.5197 ( 3093 PWs) bands (ev): -31.2368 -31.2368 -12.5491 -12.5491 -12.2012 -12.2012 -12.1013 -12.1013 -1.7322 -1.7322 -1.0331 -1.0331 4.2875 4.2875 5.4615 5.4615 5.9488 5.9488 6.9116 6.9116 7.2648 7.2648 7.6399 7.6399 8.7206 8.7206 8.8540 8.8540 9.0949 9.0949 9.2373 9.2373 9.3150 9.3150 9.7135 9.7135 10.2959 10.2959 10.6189 10.6189 11.8702 11.8702 12.2673 12.2673 k = 0.2048 0.6816 0.5242 ( 3091 PWs) bands (ev): -31.2368 -31.2368 -12.5492 -12.5492 -12.2013 -12.2013 -12.1012 -12.1012 -1.7382 -1.7382 -1.0202 -1.0202 4.2946 4.2946 5.4029 5.4029 5.9875 5.9875 6.9050 6.9050 7.2734 7.2734 7.6361 7.6361 8.7340 8.7340 8.8656 8.8656 9.0813 9.0813 9.2352 9.2352 9.3086 9.3086 9.6818 9.6818 10.3253 10.3253 10.6181 10.6181 11.7867 11.7867 12.2511 12.2511 k = 0.1862 0.6776 0.5286 ( 3089 PWs) bands (ev): -31.2368 -31.2368 -12.5494 -12.5494 -12.2014 -12.2014 -12.1012 -12.1012 -1.7444 -1.7444 -1.0073 -1.0073 4.3054 4.3054 5.3405 5.3405 6.0283 6.0283 6.8984 6.8984 7.2821 7.2821 7.6300 7.6300 8.7478 8.7478 8.8787 8.8787 9.0678 9.0678 9.2335 9.2335 9.3025 9.3025 9.6478 9.6478 10.3614 10.3614 10.6170 10.6170 11.7041 11.7041 12.2356 12.2356 k = 0.1676 0.6736 0.5331 ( 3090 PWs) bands (ev): -31.2368 -31.2368 -12.5495 -12.5495 -12.2016 -12.2016 -12.1011 -12.1011 -1.7507 -1.7507 -0.9948 -0.9948 4.3198 4.3198 5.2764 5.2764 6.0691 6.0691 6.8921 6.8921 7.2906 7.2906 7.6221 7.6221 8.7618 8.7618 8.8928 8.8928 9.0547 9.0547 9.2320 9.2320 9.2969 9.2969 9.6127 9.6127 10.4029 10.4029 10.6158 10.6158 11.6227 11.6227 12.2213 12.2213 k = 0.1490 0.6695 0.5376 ( 3089 PWs) bands (ev): -31.2367 -31.2367 -12.5496 -12.5496 -12.2017 -12.2017 -12.1011 -12.1011 -1.7569 -1.7569 -0.9828 -0.9828 4.3376 4.3376 5.2122 5.2122 6.1086 6.1086 6.8861 6.8861 7.2986 7.2986 7.6128 7.6128 8.7760 8.7760 8.9073 8.9073 9.0424 9.0424 9.2306 9.2306 9.2921 9.2921 9.5778 9.5778 10.4486 10.4486 10.6144 10.6144 11.5425 11.5425 12.2085 12.2085 k = 0.1304 0.6655 0.5421 ( 3087 PWs) bands (ev): -31.2367 -31.2367 -12.5497 -12.5497 -12.2018 -12.2018 -12.1010 -12.1010 -1.7626 -1.7626 -0.9717 -0.9717 4.3585 4.3585 5.1490 5.1490 6.1458 6.1458 6.8805 6.8805 7.3062 7.3062 7.6026 7.6026 8.7904 8.7904 8.9213 8.9213 9.0313 9.0313 9.2291 9.2291 9.2882 9.2882 9.5439 9.5439 10.4977 10.4977 10.6131 10.6131 11.4637 11.4637 12.1973 12.1973 k = 0.1117 0.6614 0.5466 ( 3083 PWs) bands (ev): -31.2367 -31.2367 -12.5498 -12.5498 -12.2018 -12.2018 -12.1009 -12.1009 -1.7679 -1.7679 -0.9617 -0.9617 4.3821 4.3821 5.0877 5.0877 6.1798 6.1798 6.8756 6.8756 7.3130 7.3130 7.5921 7.5921 8.8048 8.8048 8.9330 8.9330 9.0227 9.0227 9.2273 9.2273 9.2857 9.2857 9.5116 9.5116 10.5494 10.5494 10.6119 10.6119 11.3866 11.3866 12.1877 12.1877 k = 0.0931 0.6574 0.5511 ( 3079 PWs) bands (ev): -31.2367 -31.2367 -12.5499 -12.5499 -12.2019 -12.2019 -12.1009 -12.1009 -1.7725 -1.7725 -0.9529 -0.9529 4.4079 4.4079 5.0295 5.0295 6.2100 6.2100 6.8713 6.8713 7.3190 7.3190 7.5819 7.5819 8.8192 8.8192 8.9402 8.9402 9.0186 9.0186 9.2249 9.2249 9.2847 9.2847 9.4815 9.4815 10.6005 10.6005 10.6136 10.6136 11.3115 11.3115 12.1796 12.1796 k = 0.0745 0.6534 0.5556 ( 3083 PWs) bands (ev): -31.2367 -31.2367 -12.5499 -12.5499 -12.2020 -12.2020 -12.1009 -12.1009 -1.7765 -1.7765 -0.9456 -0.9456 4.4347 4.4347 4.9756 4.9756 6.2357 6.2357 6.8676 6.8676 7.3240 7.3240 7.5725 7.5725 8.8334 8.8334 8.9408 8.9408 9.0202 9.0202 9.2219 9.2219 9.2852 9.2852 9.4543 9.4543 10.6081 10.6081 10.6605 10.6605 11.2388 11.2388 12.1731 12.1731 k = 0.0559 0.6493 0.5600 ( 3081 PWs) bands (ev): -31.2367 -31.2367 -12.5500 -12.5500 -12.2020 -12.2020 -12.1009 -12.1009 -1.7796 -1.7796 -0.9397 -0.9397 4.4611 4.4611 4.9280 4.9280 6.2564 6.2564 6.8648 6.8648 7.3280 7.3280 7.5645 7.5645 8.8472 8.8472 8.9356 8.9356 9.0261 9.0261 9.2186 9.2186 9.2872 9.2872 9.4308 9.4308 10.6073 10.6073 10.7164 10.7164 11.1695 11.1695 12.1682 12.1682 k = 0.0372 0.6453 0.5645 ( 3081 PWs) bands (ev): -31.2367 -31.2367 -12.5500 -12.5500 -12.2020 -12.2020 -12.1008 -12.1008 -1.7818 -1.7818 -0.9355 -0.9355 4.4846 4.4846 4.8892 4.8892 6.2715 6.2715 6.8627 6.8627 7.3309 7.3309 7.5584 7.5584 8.8600 8.8600 8.9273 8.9273 9.0332 9.0332 9.2155 9.2155 9.2900 9.2900 9.4122 9.4122 10.6066 10.6066 10.7707 10.7707 11.1058 11.1058 12.1647 12.1647 k = 0.0186 0.6413 0.5690 ( 3080 PWs) bands (ev): -31.2367 -31.2367 -12.5500 -12.5500 -12.2020 -12.2020 -12.1008 -12.1008 -1.7832 -1.7832 -0.9329 -0.9329 4.5014 4.5014 4.8631 4.8631 6.2808 6.2808 6.8614 6.8614 7.3327 7.3327 7.5546 7.5546 8.8704 8.8704 8.9191 8.9191 9.0386 9.0386 9.2133 9.2133 9.2927 9.2927 9.4000 9.4000 10.6062 10.6062 10.8168 10.8168 11.0542 11.0542 12.1626 12.1626 k = 0.0000 0.6372 0.5735 ( 3076 PWs) bands (ev): -31.2367 -31.2367 -12.5500 -12.5500 -12.2020 -12.2020 -12.1008 -12.1008 -1.7837 -1.7837 -0.9321 -0.9321 4.5077 4.5077 4.8538 4.8538 6.2839 6.2839 6.8610 6.8610 7.3333 7.3333 7.5533 7.5533 8.8750 8.8750 8.9152 8.9152 9.0405 9.0405 9.2125 9.2125 9.2938 9.2938 9.3957 9.3957 10.6060 10.6060 10.8375 10.8375 11.0316 11.0316 12.1619 12.1619 k = 0.0000 0.6372 0.5735 ( 3076 PWs) bands (ev): -31.2367 -31.2367 -12.5500 -12.5500 -12.2020 -12.2020 -12.1008 -12.1008 -1.7837 -1.7837 -0.9321 -0.9321 4.5077 4.5077 4.8538 4.8538 6.2839 6.2839 6.8610 6.8610 7.3333 7.3333 7.5533 7.5533 8.8750 8.8750 8.9152 8.9152 9.0405 9.0405 9.2125 9.2125 9.2938 9.2938 9.3957 9.3957 10.6060 10.6060 10.8375 10.8375 11.0316 11.0316 12.1619 12.1619 k = 0.0061 0.6246 0.5875 ( 3080 PWs) bands (ev): -31.2367 -31.2367 -12.5501 -12.5501 -12.2021 -12.2021 -12.1008 -12.1008 -1.7833 -1.7833 -0.9314 -0.9314 4.5084 4.5084 4.8542 4.8542 6.2825 6.2825 6.8608 6.8608 7.3312 7.3312 7.5544 7.5544 8.8709 8.8709 8.9134 8.9134 9.0407 9.0407 9.2158 9.2158 9.2940 9.2940 9.3962 9.3962 10.6015 10.6015 10.8373 10.8373 11.0344 11.0344 12.1487 12.1487 k = 0.0122 0.6120 0.6015 ( 3086 PWs) bands (ev): -31.2367 -31.2367 -12.5501 -12.5501 -12.2022 -12.2022 -12.1009 -12.1009 -1.7822 -1.7822 -0.9294 -0.9294 4.5108 4.5108 4.8554 4.8554 6.2783 6.2783 6.8601 6.8601 7.3250 7.3250 7.5578 7.5578 8.8600 8.8600 8.9071 8.9071 9.0413 9.0413 9.2251 9.2251 9.2950 9.2950 9.3976 9.3976 10.5886 10.5886 10.8366 10.8366 11.0421 11.0421 12.1114 12.1114 k = 0.0183 0.5995 0.6155 ( 3084 PWs) bands (ev): -31.2366 -31.2366 -12.5502 -12.5502 -12.2024 -12.2024 -12.1011 -12.1011 -1.7802 -1.7802 -0.9260 -0.9260 4.5147 4.5147 4.8574 4.8574 6.2713 6.2713 6.8590 6.8590 7.3149 7.3149 7.5633 7.5633 8.8444 8.8444 8.8956 8.8956 9.0422 9.0422 9.2390 9.2390 9.2970 9.2970 9.4001 9.4001 10.5685 10.5685 10.8353 10.8353 11.0536 11.0536 12.0552 12.0552 k = 0.0244 0.5869 0.6294 ( 3084 PWs) bands (ev): -31.2366 -31.2366 -12.5503 -12.5503 -12.2027 -12.2027 -12.1012 -12.1012 -1.7776 -1.7776 -0.9213 -0.9213 4.5202 4.5202 4.8602 4.8602 6.2617 6.2617 6.8574 6.8574 7.3009 7.3009 7.5709 7.5709 8.8259 8.8259 8.8791 8.8791 9.0426 9.0426 9.2557 9.2557 9.3004 9.3004 9.4036 9.4036 10.5431 10.5431 10.8333 10.8333 11.0671 11.0671 11.9863 11.9863 k = 0.0305 0.5743 0.6434 ( 3084 PWs) bands (ev): -31.2365 -31.2365 -12.5504 -12.5504 -12.2031 -12.2031 -12.1015 -12.1015 -1.7742 -1.7742 -0.9153 -0.9153 4.5271 4.5271 4.8636 4.8636 6.2496 6.2496 6.8552 6.8552 7.2833 7.2833 7.5804 7.5804 8.8055 8.8055 8.8586 8.8586 9.0410 9.0410 9.2738 9.2738 9.3057 9.3057 9.4083 9.4083 10.5139 10.5139 10.8305 10.8305 11.0811 11.0811 11.9098 11.9098 k = 0.0366 0.5617 0.6574 ( 3086 PWs) bands (ev): -31.2364 -31.2364 -12.5505 -12.5505 -12.2036 -12.2036 -12.1017 -12.1017 -1.7700 -1.7700 -0.9080 -0.9080 4.5355 4.5355 4.8678 4.8678 6.2350 6.2350 6.8525 6.8525 7.2624 7.2624 7.5918 7.5918 8.7839 8.7839 8.8354 8.8354 9.0364 9.0364 9.2920 9.2920 9.3133 9.3133 9.4145 9.4145 10.4823 10.4823 10.8265 10.8265 11.0943 11.0943 11.8299 11.8299 k = 0.0427 0.5491 0.6714 ( 3088 PWs) bands (ev): -31.2363 -31.2363 -12.5507 -12.5507 -12.2041 -12.2041 -12.1020 -12.1020 -1.7652 -1.7652 -0.8994 -0.8994 4.5451 4.5451 4.8725 4.8725 6.2182 6.2182 6.8492 6.8492 7.2383 7.2383 7.6050 7.6050 8.7615 8.7615 8.8102 8.8102 9.0284 9.0284 9.3089 9.3089 9.3233 9.3233 9.4224 9.4224 10.4493 10.4493 10.8211 10.8211 11.1059 11.1059 11.7497 11.7497 k = 0.0488 0.5365 0.6854 ( 3096 PWs) bands (ev): -31.2362 -31.2362 -12.5509 -12.5509 -12.2048 -12.2048 -12.1024 -12.1024 -1.7597 -1.7597 -0.8896 -0.8896 4.5561 4.5561 4.8778 4.8778 6.1992 6.1992 6.8453 6.8453 7.2113 7.2113 7.6200 7.6200 8.7387 8.7387 8.7837 8.7837 9.0166 9.0166 9.3235 9.3235 9.3354 9.3354 9.4326 9.4326 10.4158 10.4158 10.8138 10.8138 11.1152 11.1152 11.6714 11.6714 k = 0.0549 0.5239 0.6994 ( 3096 PWs) bands (ev): -31.2361 -31.2361 -12.5512 -12.5512 -12.2055 -12.2055 -12.1027 -12.1027 -1.7535 -1.7535 -0.8786 -0.8786 4.5682 4.5682 4.8834 4.8834 6.1785 6.1785 6.8407 6.8407 7.1817 7.1817 7.6366 7.6366 8.7157 8.7157 8.7565 8.7565 9.0013 9.0013 9.3352 9.3352 9.3491 9.3491 9.4453 9.4453 10.3823 10.3823 10.8042 10.8042 11.1218 11.1218 11.5968 11.5968 k = 0.0610 0.5113 0.7134 ( 3092 PWs) bands (ev): -31.2359 -31.2359 -12.5514 -12.5514 -12.2062 -12.2062 -12.1030 -12.1030 -1.7467 -1.7467 -0.8664 -0.8664 4.5813 4.5813 4.8894 4.8894 6.1562 6.1562 6.8354 6.8354 7.1497 7.1497 7.6550 7.6550 8.6926 8.6926 8.7291 8.7291 8.9829 8.9829 9.3434 9.3434 9.3641 9.3641 9.4606 9.4606 10.3493 10.3493 10.7919 10.7919 11.1257 11.1257 11.5273 11.5273 k = 0.0671 0.4988 0.7274 ( 3092 PWs) bands (ev): -31.2358 -31.2358 -12.5517 -12.5517 -12.2071 -12.2071 -12.1034 -12.1034 -1.7393 -1.7393 -0.8532 -0.8532 4.5953 4.5953 4.8956 4.8956 6.1325 6.1325 6.8295 6.8295 7.1157 7.1157 7.6748 7.6748 8.6695 8.6695 8.7016 8.7016 8.9619 8.9619 9.3481 9.3481 9.3799 9.3799 9.4779 9.4779 10.3170 10.3170 10.7765 10.7765 11.1266 11.1266 11.4639 11.4639 k = 0.0732 0.4862 0.7413 ( 3094 PWs) bands (ev): -31.2356 -31.2356 -12.5520 -12.5520 -12.2080 -12.2080 -12.1037 -12.1037 -1.7313 -1.7313 -0.8389 -0.8389 4.6101 4.6101 4.9019 4.9019 6.1077 6.1077 6.8229 6.8229 7.0800 7.0800 7.6961 7.6961 8.6462 8.6462 8.6745 8.6745 8.9388 8.9388 9.3496 9.3496 9.3962 9.3962 9.4968 9.4968 10.2856 10.2856 10.7577 10.7577 11.1248 11.1248 11.4071 11.4071 k = 0.0793 0.4736 0.7553 ( 3088 PWs) bands (ev): -31.2355 -31.2355 -12.5524 -12.5524 -12.2090 -12.2090 -12.1041 -12.1041 -1.7228 -1.7228 -0.8236 -0.8236 4.6254 4.6254 4.9080 4.9080 6.0822 6.0822 6.8156 6.8156 7.0430 7.0430 7.7188 7.7188 8.6227 8.6227 8.6483 8.6483 8.9140 8.9140 9.3484 9.3484 9.4127 9.4127 9.5164 9.5164 10.2551 10.2551 10.7354 10.7354 11.1206 11.1206 11.3573 11.3573 k = 0.0854 0.4610 0.7693 ( 3088 PWs) bands (ev): -31.2353 -31.2353 -12.5527 -12.5527 -12.2101 -12.2101 -12.1044 -12.1044 -1.7138 -1.7138 -0.8074 -0.8074 4.6411 4.6411 4.9139 4.9139 6.0562 6.0562 6.8075 6.8075 7.0050 7.0050 7.7427 7.7427 8.5986 8.5986 8.6234 8.6234 8.8881 8.8881 9.3446 9.3446 9.4290 9.4290 9.5364 9.5364 10.2254 10.2254 10.7098 10.7098 11.1140 11.1140 11.3143 11.3143 k = 0.0915 0.4484 0.7833 ( 3094 PWs) bands (ev): -31.2351 -31.2351 -12.5532 -12.5532 -12.2112 -12.2112 -12.1047 -12.1047 -1.7044 -1.7044 -0.7903 -0.7903 4.6571 4.6571 4.9193 4.9193 6.0301 6.0301 6.7988 6.7988 6.9664 6.9664 7.7678 7.7678 8.5739 8.5739 8.6001 8.6001 8.8614 8.8614 9.3385 9.3385 9.4449 9.4449 9.5563 9.5563 10.1967 10.1967 10.6813 10.6813 11.1056 11.1056 11.2773 11.2773 k = 0.0976 0.4358 0.7973 ( 3094 PWs) bands (ev): -31.2349 -31.2349 -12.5536 -12.5536 -12.2124 -12.2124 -12.1050 -12.1050 -1.6946 -1.6946 -0.7725 -0.7725 4.6730 4.6730 4.9240 4.9240 6.0044 6.0044 6.7894 6.7894 6.9277 6.9277 7.7938 7.7938 8.5487 8.5487 8.5784 8.5784 8.8342 8.8342 9.3304 9.3304 9.4602 9.4602 9.5759 9.5759 10.1688 10.1688 10.6505 10.6505 11.0957 11.0957 11.2457 11.2457 k = 0.1037 0.4232 0.8113 ( 3096 PWs) bands (ev): -31.2347 -31.2347 -12.5541 -12.5541 -12.2136 -12.2136 -12.1053 -12.1053 -1.6845 -1.6845 -0.7540 -0.7540 4.6887 4.6887 4.9278 4.9278 5.9793 5.9793 6.7792 6.7792 6.8894 6.8894 7.8206 7.8206 8.5234 8.5234 8.5583 8.5583 8.8069 8.8069 9.3205 9.3205 9.4747 9.4747 9.5950 9.5950 10.1416 10.1416 10.6180 10.6180 11.0845 11.0845 11.2184 11.2184 k = 0.1098 0.4106 0.8253 ( 3094 PWs) bands (ev): -31.2345 -31.2345 -12.5546 -12.5546 -12.2149 -12.2149 -12.1055 -12.1055 -1.6741 -1.6741 -0.7349 -0.7349 4.7039 4.7039 4.9305 4.9305 5.9553 5.9553 6.7681 6.7681 6.8521 6.8521 7.8481 7.8481 8.4985 8.4985 8.5395 8.5395 8.7797 8.7797 9.3091 9.3091 9.4883 9.4883 9.6135 9.6135 10.1151 10.1151 10.5845 10.5845 11.0726 11.0726 11.1943 11.1943 k = 0.1159 0.3980 0.8393 ( 3094 PWs) bands (ev): -31.2343 -31.2343 -12.5552 -12.5552 -12.2161 -12.2161 -12.1057 -12.1057 -1.6634 -1.6634 -0.7153 -0.7153 4.7183 4.7183 4.9318 4.9318 5.9327 5.9327 6.7557 6.7557 6.8165 6.8165 7.8759 7.8759 8.4741 8.4741 8.5217 8.5217 8.7529 8.7529 9.2964 9.2964 9.5007 9.5007 9.6313 9.6313 10.0892 10.0892 10.5503 10.5503 11.0601 11.0601 11.1726 11.1726 k = 0.1220 0.3855 0.8532 ( 3094 PWs) bands (ev): -31.2341 -31.2341 -12.5558 -12.5558 -12.2174 -12.2174 -12.1059 -12.1059 -1.6526 -1.6526 -0.6952 -0.6952 4.7319 4.7319 4.9317 4.9317 5.9119 5.9119 6.7412 6.7412 6.7842 6.7842 7.9037 7.9037 8.4507 8.4507 8.5051 8.5051 8.7266 8.7266 9.2829 9.2829 9.5120 9.5120 9.6482 9.6482 10.0639 10.0639 10.5157 10.5157 11.0475 11.0475 11.1525 11.1525 k = 0.1280 0.3729 0.8672 ( 3098 PWs) bands (ev): -31.2339 -31.2339 -12.5564 -12.5564 -12.2188 -12.2188 -12.1060 -12.1060 -1.6417 -1.6417 -0.6749 -0.6749 4.7442 4.7442 4.9298 4.9298 5.8933 5.8933 6.7223 6.7223 6.7577 6.7577 7.9311 7.9311 8.4286 8.4286 8.4895 8.4895 8.7011 8.7011 9.2688 9.2688 9.5219 9.5219 9.6642 9.6642 10.0391 10.0391 10.4807 10.4807 11.0349 11.0349 11.1334 11.1334 k = 0.1341 0.3603 0.8812 ( 3096 PWs) bands (ev): -31.2337 -31.2337 -12.5570 -12.5570 -12.2201 -12.2201 -12.1061 -12.1061 -1.6307 -1.6307 -0.6544 -0.6544 4.7552 4.7552 4.9262 4.9262 5.8770 5.8770 6.6984 6.6984 6.7381 6.7381 7.9577 7.9577 8.4080 8.4080 8.4749 8.4749 8.6764 8.6764 9.2548 9.2548 9.5303 9.5303 9.6794 9.6794 10.0151 10.0151 10.4452 10.4452 11.0226 11.0226 11.1150 11.1150 k = 0.1402 0.3477 0.8952 ( 3104 PWs) bands (ev): -31.2335 -31.2335 -12.5577 -12.5577 -12.2214 -12.2214 -12.1063 -12.1063 -1.6198 -1.6198 -0.6338 -0.6338 4.7645 4.7645 4.9207 4.9207 5.8632 5.8632 6.6726 6.6726 6.7227 6.7227 7.9828 7.9828 8.3895 8.3895 8.4614 8.4614 8.6526 8.6526 9.2411 9.2411 9.5371 9.5371 9.6935 9.6935 9.9918 9.9918 10.4090 10.4090 11.0108 11.0108 11.0969 11.0969 k = 0.1463 0.3351 0.9092 ( 3106 PWs) bands (ev): -31.2333 -31.2333 -12.5583 -12.5583 -12.2227 -12.2227 -12.1063 -12.1063 -1.6089 -1.6089 -0.6133 -0.6133 4.7721 4.7721 4.9133 4.9133 5.8522 5.8522 6.6478 6.6478 6.7089 6.7089 8.0058 8.0058 8.3737 8.3737 8.4489 8.4489 8.6299 8.6299 9.2283 9.2283 9.5422 9.5422 9.7067 9.7067 9.9694 9.9694 10.3719 10.3719 10.9998 10.9998 11.0792 11.0792 k = 0.1524 0.3225 0.9232 ( 3114 PWs) bands (ev): -31.2331 -31.2331 -12.5590 -12.5590 -12.2240 -12.2240 -12.1064 -12.1064 -1.5982 -1.5982 -0.5930 -0.5930 4.7779 4.7779 4.9043 4.9043 5.8438 5.8438 6.6252 6.6252 6.6958 6.6958 8.0257 8.0257 8.3611 8.3611 8.4374 8.4374 8.6083 8.6083 9.2169 9.2169 9.5454 9.5454 9.7188 9.7188 9.9480 9.9480 10.3334 10.3334 10.9895 10.9895 11.0620 11.0620 k = 0.1585 0.3099 0.9372 ( 3106 PWs) bands (ev): -31.2329 -31.2329 -12.5596 -12.5596 -12.2252 -12.2252 -12.1063 -12.1063 -1.5877 -1.5877 -0.5729 -0.5729 4.7818 4.7818 4.8936 4.8936 5.8382 5.8382 6.6054 6.6054 6.6831 6.6831 8.0417 8.0417 8.3524 8.3524 8.4270 8.4270 8.5879 8.5879 9.2074 9.2074 9.5468 9.5468 9.7301 9.7301 9.9281 9.9281 10.2935 10.2935 10.9802 10.9802 11.0454 11.0454 k = 0.1646 0.2973 0.9512 ( 3108 PWs) bands (ev): -31.2328 -31.2328 -12.5603 -12.5603 -12.2264 -12.2264 -12.1063 -12.1063 -1.5775 -1.5775 -0.5533 -0.5533 4.7838 4.7838 4.8816 4.8816 5.8350 5.8350 6.5887 6.5887 6.6706 6.6706 8.0531 8.0531 8.3481 8.3481 8.4175 8.4175 8.5688 8.5688 9.2003 9.2003 9.5461 9.5461 9.7403 9.7403 9.9095 9.9095 10.2518 10.2518 10.9717 10.9717 11.0296 11.0296 k = 0.1707 0.2847 0.9651 ( 3108 PWs) bands (ev): -31.2326 -31.2326 -12.5609 -12.5609 -12.2275 -12.2275 -12.1063 -12.1063 -1.5677 -1.5677 -0.5343 -0.5343 4.7840 4.7840 4.8686 4.8686 5.8341 5.8341 6.5750 6.5750 6.6583 6.6583 8.0594 8.0594 8.3483 8.3483 8.4092 8.4092 8.5508 8.5508 9.1961 9.1961 9.5435 9.5435 9.7495 9.7495 9.8928 9.8928 10.2082 10.2082 10.9642 10.9642 11.0147 11.0147 k = 0.1768 0.2722 0.9791 ( 3108 PWs) bands (ev): -31.2324 -31.2324 -12.5616 -12.5616 -12.2286 -12.2286 -12.1062 -12.1062 -1.5582 -1.5582 -0.5160 -0.5160 4.7825 4.7825 4.8548 4.8548 5.8351 5.8351 6.5643 6.5643 6.6464 6.6464 8.0608 8.0608 8.3525 8.3525 8.4019 8.4019 8.5342 8.5342 9.1952 9.1952 9.5389 9.5389 9.7577 9.7577 9.8778 9.8778 10.1628 10.1628 10.9576 10.9576 11.0009 11.0009 k = 0.1829 0.2596 0.9931 ( 3112 PWs) bands (ev): -31.2323 -31.2323 -12.5622 -12.5622 -12.2296 -12.2296 -12.1062 -12.1062 -1.5493 -1.5493 -0.4986 -0.4986 4.7795 4.7795 4.8406 4.8406 5.8379 5.8379 6.5565 6.5565 6.6349 6.6349 8.0581 8.0581 8.3595 8.3595 8.3959 8.3959 8.5188 8.5188 9.1980 9.1980 9.5326 9.5326 9.7648 9.7648 9.8648 9.8648 10.1155 10.1155 10.9518 10.9518 10.9883 10.9883 k = 0.1890 0.2470 1.0071 ( 3112 PWs) bands (ev): -31.2321 -31.2321 -12.5628 -12.5628 -12.2305 -12.2305 -12.1061 -12.1061 -1.5409 -1.5409 -0.4821 -0.4821 4.7753 4.7753 4.8264 4.8264 5.8420 5.8420 6.5512 6.5512 6.6238 6.6238 8.0522 8.0522 8.3675 8.3675 8.3918 8.3918 8.5048 8.5048 9.2049 9.2049 9.5249 9.5249 9.7709 9.7709 9.8537 9.8537 10.0668 10.0668 10.9469 10.9469 10.9771 10.9771 k = 0.1951 0.2344 1.0211 ( 3102 PWs) bands (ev): -31.2320 -31.2320 -12.5633 -12.5633 -12.2314 -12.2314 -12.1060 -12.1060 -1.5330 -1.5330 -0.4667 -0.4667 4.7702 4.7702 4.8125 4.8125 5.8472 5.8472 6.5481 6.5481 6.6132 6.6132 8.0444 8.0444 8.3731 8.3731 8.3919 8.3919 8.4922 8.4922 9.2162 9.2162 9.5161 9.5161 9.7757 9.7757 9.8444 9.8444 10.0172 10.0172 10.9428 10.9428 10.9673 10.9673 k = 0.2012 0.2218 1.0351 ( 3100 PWs) bands (ev): -31.2318 -31.2318 -12.5638 -12.5638 -12.2321 -12.2321 -12.1059 -12.1059 -1.5259 -1.5259 -0.4526 -0.4526 4.7644 4.7644 4.7992 4.7992 5.8529 5.8529 6.5469 6.5469 6.6033 6.6033 8.0353 8.0353 8.3735 8.3735 8.3978 8.3978 8.4809 8.4809 9.2320 9.2320 9.5066 9.5066 9.7787 9.7787 9.8367 9.8367 9.9674 9.9674 10.9393 10.9393 10.9587 10.9587 k = 0.2073 0.2092 1.0491 ( 3102 PWs) bands (ev): -31.2317 -31.2317 -12.5643 -12.5643 -12.2328 -12.2328 -12.1059 -12.1059 -1.5195 -1.5195 -0.4398 -0.4398 4.7582 4.7582 4.7869 4.7869 5.8589 5.8589 6.5472 6.5472 6.5943 6.5943 8.0258 8.0258 8.3715 8.3715 8.4062 8.4062 8.4709 8.4709 9.2523 9.2523 9.4968 9.4968 9.7789 9.7789 9.8302 9.8302 9.9190 9.9190 10.9364 10.9364 10.9514 10.9514 k = 0.2134 0.1966 1.0631 ( 3104 PWs) bands (ev): -31.2316 -31.2316 -12.5647 -12.5647 -12.2335 -12.2335 -12.1058 -12.1058 -1.5138 -1.5138 -0.4285 -0.4285 4.7520 4.7520 4.7757 4.7757 5.8650 5.8650 6.5484 6.5484 6.5861 6.5861 8.0166 8.0166 8.3692 8.3692 8.4143 8.4143 8.4624 8.4624 9.2768 9.2768 9.4873 9.4873 9.7731 9.7731 9.8249 9.8249 9.8758 9.8758 10.9340 10.9340 10.9453 10.9453 k = 0.2195 0.1840 1.0770 ( 3112 PWs) bands (ev): -31.2316 -31.2316 -12.5651 -12.5651 -12.2340 -12.2340 -12.1058 -12.1058 -1.5089 -1.5089 -0.4187 -0.4187 4.7461 4.7461 4.7660 4.7660 5.8706 5.8706 6.5502 6.5502 6.5790 6.5790 8.0080 8.0080 8.3671 8.3671 8.4212 8.4212 8.4552 8.4552 9.3054 9.3054 9.4784 9.4784 9.7543 9.7543 9.8205 9.8205 9.8452 9.8452 10.9322 10.9322 10.9403 10.9403 k = 0.2256 0.1714 1.0910 ( 3110 PWs) bands (ev): -31.2315 -31.2315 -12.5654 -12.5654 -12.2344 -12.2344 -12.1057 -12.1057 -1.5048 -1.5048 -0.4106 -0.4106 4.7407 4.7407 4.7579 4.7579 5.8757 5.8757 6.5522 6.5522 6.5731 6.5731 8.0005 8.0005 8.3655 8.3655 8.4267 8.4267 8.4497 8.4497 9.3374 9.3374 9.4706 9.4706 9.7194 9.7194 9.8176 9.8176 9.8305 9.8305 10.9307 10.9307 10.9364 10.9364 k = 0.2317 0.1589 1.1050 ( 3112 PWs) bands (ev): -31.2314 -31.2314 -12.5656 -12.5656 -12.2348 -12.2348 -12.1056 -12.1056 -1.5017 -1.5017 -0.4042 -0.4042 4.7362 4.7362 4.7516 4.7516 5.8799 5.8799 6.5540 6.5540 6.5685 6.5685 7.9944 7.9944 8.3642 8.3642 8.4303 8.4303 8.4458 8.4458 9.3720 9.3720 9.4642 9.4642 9.6764 9.6764 9.8162 9.8162 9.8242 9.8242 10.9297 10.9297 10.9335 10.9335 k = 0.2378 0.1463 1.1190 ( 3110 PWs) bands (ev): -31.2314 -31.2314 -12.5658 -12.5658 -12.2350 -12.2350 -12.1056 -12.1056 -1.4994 -1.4994 -0.3996 -0.3996 4.7327 4.7327 4.7471 4.7471 5.8830 5.8830 6.5551 6.5551 6.5656 6.5656 7.9899 7.9899 8.3633 8.3633 8.4321 8.4321 8.4439 8.4439 9.4075 9.4075 9.4595 9.4595 9.6330 9.6330 9.8159 9.8159 9.8212 9.8212 10.9290 10.9290 10.9314 10.9314 k = 0.2439 0.1337 1.1330 ( 3116 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1056 -12.1056 -1.4980 -1.4980 -0.3969 -0.3969 4.7305 4.7305 4.7443 4.7443 5.8850 5.8850 6.5555 6.5555 6.5641 6.5641 7.9871 7.9871 8.3627 8.3627 8.4325 8.4325 8.4434 8.4434 9.4391 9.4391 9.4565 9.4565 9.5961 9.5961 9.8159 9.8159 9.8197 9.8197 10.9285 10.9285 10.9301 10.9301 k = 0.2500 0.1211 1.1470 ( 3124 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2353 -12.2353 -12.1056 -12.1056 -1.4975 -1.4975 -0.3959 -0.3959 4.7298 4.7298 4.7434 4.7434 5.8856 5.8856 6.5555 6.5555 6.5637 6.5637 7.9861 7.9861 8.3626 8.3626 8.4324 8.4324 8.4434 8.4434 9.4536 9.4536 9.4558 9.4558 9.5794 9.5794 9.8159 9.8159 9.8191 9.8191 10.9283 10.9283 10.9297 10.9297 k = 0.2500 0.1211 1.1470 ( 3124 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2353 -12.2353 -12.1056 -12.1056 -1.4975 -1.4975 -0.3959 -0.3959 4.7298 4.7298 4.7434 4.7434 5.8856 5.8856 6.5555 6.5555 6.5637 6.5637 7.9861 7.9861 8.3626 8.3626 8.4324 8.4324 8.4434 8.4434 9.4536 9.4536 9.4558 9.4558 9.5794 9.5794 9.8159 9.8159 9.8191 9.8191 10.9283 10.9283 10.9297 10.9297 k = 0.2656 0.1287 1.1386 ( 3118 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2352 -12.2352 -12.1056 -12.1056 -1.4976 -1.4976 -0.3961 -0.3961 4.7251 4.7251 4.7487 4.7487 5.8854 5.8854 6.5317 6.5317 6.5876 6.5876 7.9867 7.9867 8.3624 8.3624 8.4297 8.4297 8.4460 8.4460 9.4495 9.4495 9.4577 9.4577 9.5825 9.5825 9.8159 9.8159 9.8193 9.8193 10.9198 10.9198 10.9381 10.9381 k = 0.2812 0.1362 1.1302 ( 3116 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1056 -12.1056 -1.4978 -1.4978 -0.3967 -0.3967 4.7171 4.7171 4.7584 4.7584 5.8847 5.8847 6.5048 6.5048 6.6147 6.6147 7.9883 7.9883 8.3620 8.3620 8.4246 8.4246 8.4505 8.4505 9.4416 9.4416 9.4603 9.4603 9.5899 9.5899 9.8158 9.8158 9.8198 9.8198 10.9107 10.9107 10.9471 10.9471 k = 0.2969 0.1438 1.1218 ( 3124 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1056 -12.1056 -1.4981 -1.4981 -0.3977 -0.3977 4.7092 4.7092 4.7692 4.7692 5.8836 5.8836 6.4784 6.4784 6.6414 6.6414 7.9908 7.9908 8.3613 8.3613 8.4190 8.4190 8.4547 8.4547 9.4332 9.4332 9.4629 9.4629 9.5990 9.5990 9.8155 9.8155 9.8206 9.8206 10.9014 10.9014 10.9561 10.9561 k = 0.3125 0.1514 1.1133 ( 3120 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2351 -12.2351 -12.1056 -12.1056 -1.4985 -1.4985 -0.3993 -0.3993 4.7022 4.7022 4.7806 4.7806 5.8819 5.8819 6.4525 6.4525 6.6676 6.6676 7.9942 7.9942 8.3604 8.3604 8.4138 8.4138 8.4582 8.4582 9.4257 9.4257 9.4655 9.4655 9.6083 9.6083 9.8152 9.8152 9.8219 9.8219 10.8924 10.8924 10.9652 10.9652 k = 0.3281 0.1589 1.1049 ( 3117 PWs) bands (ev): -31.2314 -31.2314 -12.5658 -12.5658 -12.2350 -12.2350 -12.1056 -12.1056 -1.4989 -1.4989 -0.4014 -0.4014 4.6960 4.6960 4.7925 4.7925 5.8797 5.8797 6.4276 6.4276 6.6928 6.6928 7.9985 7.9985 8.3594 8.3594 8.4090 8.4090 8.4607 8.4607 9.4199 9.4199 9.4682 9.4682 9.6169 9.6169 9.8148 9.8148 9.8236 9.8236 10.8834 10.8834 10.9743 10.9743 k = 0.3438 0.1665 1.0965 ( 3112 PWs) bands (ev): -31.2314 -31.2314 -12.5657 -12.5657 -12.2349 -12.2349 -12.1056 -12.1056 -1.4993 -1.4993 -0.4041 -0.4041 4.6908 4.6908 4.8050 4.8050 5.8769 5.8769 6.4037 6.4037 6.7170 6.7170 8.0035 8.0035 8.3581 8.3581 8.4046 8.4046 8.4621 8.4621 9.4164 9.4164 9.4707 9.4707 9.6241 9.6241 9.8144 9.8144 9.8258 9.8258 10.8748 10.8748 10.9837 10.9837 k = 0.3594 0.1741 1.0881 ( 3112 PWs) bands (ev): -31.2314 -31.2314 -12.5656 -12.5656 -12.2348 -12.2348 -12.1056 -12.1056 -1.4996 -1.4996 -0.4075 -0.4075 4.6866 4.6866 4.8179 4.8179 5.8736 5.8736 6.3812 6.3812 6.7397 6.7397 8.0090 8.0090 8.3567 8.3567 8.4007 8.4007 8.4623 8.4623 9.4154 9.4154 9.4730 9.4730 9.6295 9.6295 9.8140 9.8140 9.8285 9.8285 10.8665 10.8665 10.9933 10.9933 k = 0.3750 0.1816 1.0797 ( 3110 PWs) bands (ev): -31.2315 -31.2315 -12.5655 -12.5655 -12.2347 -12.2347 -12.1056 -12.1056 -1.5000 -1.5000 -0.4115 -0.4115 4.6835 4.6835 4.8312 4.8312 5.8697 5.8697 6.3602 6.3602 6.7609 6.7609 8.0149 8.0149 8.3552 8.3552 8.3976 8.3976 8.4611 8.4611 9.4170 9.4170 9.4752 9.4752 9.6330 9.6330 9.8135 9.8135 9.8318 9.8318 10.8587 10.8587 11.0032 11.0032 k = 0.3906 0.1892 1.0713 ( 3107 PWs) bands (ev): -31.2315 -31.2315 -12.5654 -12.5654 -12.2345 -12.2345 -12.1057 -12.1057 -1.5003 -1.5003 -0.4162 -0.4162 4.6815 4.6815 4.8449 4.8449 5.8652 5.8652 6.3409 6.3409 6.7802 6.7802 8.0212 8.0212 8.3534 8.3534 8.3951 8.3951 8.4589 8.4589 9.4214 9.4214 9.4772 9.4772 9.6344 9.6344 9.8129 9.8129 9.8357 9.8357 10.8515 10.8515 11.0133 11.0133 k = 0.4062 0.1968 1.0629 ( 3105 PWs) bands (ev): -31.2315 -31.2315 -12.5653 -12.5653 -12.2343 -12.2343 -12.1057 -12.1057 -1.5005 -1.5005 -0.4216 -0.4216 4.6807 4.6807 4.8586 4.8586 5.8602 5.8602 6.3236 6.3236 6.7975 6.7975 8.0277 8.0277 8.3516 8.3516 8.3933 8.3933 8.4556 8.4556 9.4284 9.4284 9.4790 9.4790 9.6336 9.6336 9.8122 9.8122 9.8401 9.8401 10.8449 10.8449 11.0237 11.0237 k = 0.4219 0.2043 1.0545 ( 3108 PWs) bands (ev): -31.2315 -31.2315 -12.5652 -12.5652 -12.2342 -12.2342 -12.1057 -12.1057 -1.5007 -1.5007 -0.4277 -0.4277 4.6811 4.6811 4.8724 4.8724 5.8546 5.8546 6.3085 6.3085 6.8126 6.8126 8.0342 8.0342 8.3495 8.3495 8.3923 8.3923 8.4511 8.4511 9.4377 9.4377 9.4807 9.4807 9.6307 9.6307 9.8115 9.8115 9.8451 9.8451 10.8392 10.8392 11.0343 11.0343 k = 0.4375 0.2119 1.0461 ( 3103 PWs) bands (ev): -31.2316 -31.2316 -12.5650 -12.5650 -12.2339 -12.2339 -12.1057 -12.1057 -1.5010 -1.5010 -0.4343 -0.4343 4.6827 4.6827 4.8861 4.8861 5.8486 5.8486 6.2958 6.2958 6.8252 6.8252 8.0406 8.0406 8.3473 8.3473 8.3923 8.3923 8.4459 8.4459 9.4492 9.4492 9.4826 9.4826 9.6260 9.6260 9.8110 9.8110 9.8507 9.8507 10.8343 10.8343 11.0448 11.0448 k = 0.4531 0.2195 1.0377 ( 3101 PWs) bands (ev): -31.2316 -31.2316 -12.5649 -12.5649 -12.2337 -12.2337 -12.1057 -12.1057 -1.5012 -1.5012 -0.4416 -0.4416 4.6856 4.6856 4.8993 4.8993 5.8422 5.8422 6.2857 6.2857 6.8354 6.8354 8.0468 8.0468 8.3449 8.3449 8.3932 8.3932 8.4400 8.4400 9.4615 9.4615 9.4854 9.4854 9.6197 9.6197 9.8103 9.8103 9.8566 9.8566 10.8304 10.8304 11.0552 11.0552 k = 0.4688 0.2270 1.0293 ( 3109 PWs) bands (ev): -31.2316 -31.2316 -12.5647 -12.5647 -12.2335 -12.2335 -12.1058 -12.1058 -1.5015 -1.5015 -0.4493 -0.4493 4.6897 4.6897 4.9118 4.9118 5.8355 5.8355 6.2783 6.2783 6.8428 6.8428 8.0525 8.0525 8.3422 8.3422 8.3950 8.3950 8.4338 8.4338 9.4715 9.4715 9.4918 9.4918 9.6125 9.6125 9.8095 9.8095 9.8629 9.8629 10.8275 10.8275 11.0654 11.0654 k = 0.4844 0.2346 1.0208 ( 3108 PWs) bands (ev): -31.2317 -31.2317 -12.5645 -12.5645 -12.2332 -12.2332 -12.1058 -12.1058 -1.5018 -1.5018 -0.4574 -0.4574 4.6951 4.6951 4.9234 4.9234 5.8286 5.8286 6.2739 6.2739 6.8476 6.8476 8.0578 8.0578 8.3393 8.3393 8.3979 8.3979 8.4274 8.4274 9.4760 9.4760 9.5033 9.5033 9.6062 9.6062 9.8087 9.8087 9.8695 9.8695 10.8257 10.8257 11.0751 11.0751 k = 0.5000 0.2422 1.0124 ( 3104 PWs) bands (ev): -31.2317 -31.2317 -12.5643 -12.5643 -12.2330 -12.2330 -12.1059 -12.1059 -1.5024 -1.5024 -0.4658 -0.4658 4.7017 4.7017 4.9338 4.9338 5.8215 5.8215 6.2726 6.2726 6.8497 6.8497 8.0622 8.0622 8.3361 8.3361 8.4018 8.4018 8.4214 8.4214 9.4774 9.4774 9.5147 9.5147 9.6039 9.6039 9.8079 9.8079 9.8763 9.8763 10.8251 10.8251 11.0842 11.0842 k = 0.5000 0.2422 1.0124 ( 3104 PWs) bands (ev): -31.2317 -31.2317 -12.5643 -12.5643 -12.2330 -12.2330 -12.1059 -12.1059 -1.5024 -1.5024 -0.4658 -0.4658 4.7017 4.7017 4.9338 4.9338 5.8215 5.8215 6.2726 6.2726 6.8497 6.8497 8.0622 8.0622 8.3361 8.3361 8.4018 8.4018 8.4214 8.4214 9.4774 9.4774 9.5147 9.5147 9.6039 9.6039 9.8079 9.8079 9.8763 9.8763 10.8251 10.8251 11.0842 11.0842 k = 0.5000 0.2422 0.9926 ( 3088 PWs) bands (ev): -31.2318 -31.2318 -12.5638 -12.5638 -12.2322 -12.2322 -12.1059 -12.1059 -1.5040 -1.5040 -0.4873 -0.4873 4.7202 4.7202 4.9581 4.9581 5.8035 5.8035 6.2738 6.2738 6.8513 6.8513 8.0723 8.0723 8.3247 8.3247 8.4044 8.4044 8.4186 8.4186 9.4786 9.4786 9.5378 9.5378 9.6079 9.6079 9.8059 9.8059 9.8934 9.8934 10.8250 10.8250 11.1059 11.1059 k = 0.5000 0.2422 0.9727 ( 3084 PWs) bands (ev): -31.2319 -31.2319 -12.5632 -12.5632 -12.2314 -12.2314 -12.1060 -12.1060 -1.5060 -1.5060 -0.5112 -0.5112 4.7412 4.7412 4.9851 4.9851 5.7832 5.7832 6.2762 6.2762 6.8532 6.8532 8.0832 8.0832 8.3049 8.3049 8.3981 8.3981 8.4318 8.4318 9.4798 9.4798 9.5640 9.5640 9.6132 9.6132 9.8036 9.8036 9.9125 9.9125 10.8249 10.8249 11.1297 11.1297 k = 0.5000 0.2422 0.9529 ( 3078 PWs) bands (ev): -31.2321 -31.2321 -12.5625 -12.5625 -12.2305 -12.2305 -12.1061 -12.1061 -1.5083 -1.5083 -0.5375 -0.5375 4.7646 4.7646 5.0147 5.0147 5.7608 5.7608 6.2800 6.2800 6.8551 6.8551 8.0947 8.0947 8.2778 8.2778 8.3949 8.3949 8.4479 8.4479 9.4815 9.4815 9.5927 9.5927 9.6206 9.6206 9.8013 9.8013 9.9335 9.9335 10.8246 10.8246 11.1556 11.1556 k = 0.5000 0.2422 0.9330 ( 3076 PWs) bands (ev): -31.2322 -31.2322 -12.5618 -12.5618 -12.2295 -12.2295 -12.1063 -12.1063 -1.5110 -1.5110 -0.5659 -0.5659 4.7905 4.7905 5.0467 5.0467 5.7366 5.7366 6.2852 6.2852 6.8571 6.8571 8.1067 8.1067 8.2455 8.2455 8.3938 8.3938 8.4660 8.4660 9.4837 9.4837 9.6191 9.6191 9.6347 9.6347 9.7987 9.7987 9.9564 9.9564 10.8244 10.8244 11.1834 11.1834 k = 0.5000 0.2422 0.9132 ( 3084 PWs) bands (ev): -31.2324 -31.2324 -12.5611 -12.5611 -12.2284 -12.2284 -12.1065 -12.1065 -1.5142 -1.5142 -0.5963 -0.5963 4.8187 4.8187 5.0807 5.0807 5.7108 5.7108 6.2919 6.2919 6.8592 6.8592 8.1189 8.1189 8.2099 8.2099 8.3938 8.3938 8.4859 8.4859 9.4864 9.4864 9.6334 9.6334 9.6651 9.6651 9.7959 9.7959 9.9813 9.9813 10.8242 10.8242 11.2129 11.2129 k = 0.5000 0.2422 0.8933 ( 3084 PWs) bands (ev): -31.2326 -31.2326 -12.5602 -12.5602 -12.2272 -12.2272 -12.1066 -12.1066 -1.5179 -1.5179 -0.6286 -0.6286 4.8494 4.8494 5.1167 5.1167 5.6838 5.6838 6.3001 6.3001 6.8613 6.8613 8.1298 8.1298 8.1735 8.1735 8.3938 8.3938 8.5075 8.5075 9.4900 9.4900 9.6456 9.6456 9.7021 9.7021 9.7934 9.7934 10.0080 10.0080 10.8239 10.8239 11.2442 11.2442 k = 0.5000 0.2422 0.8735 ( 3072 PWs) bands (ev): -31.2328 -31.2328 -12.5593 -12.5593 -12.2259 -12.2259 -12.1068 -12.1068 -1.5220 -1.5220 -0.6624 -0.6624 4.8825 4.8825 5.1544 5.1544 5.6560 5.6560 6.3099 6.3099 6.8633 6.8633 8.1213 8.1213 8.1549 8.1549 8.3936 8.3936 8.5307 8.5307 9.4945 9.4945 9.6588 9.6588 9.7419 9.7419 9.7913 9.7913 10.0366 10.0366 10.8238 10.8238 11.2772 11.2772 k = 0.5000 0.2422 0.8536 ( 3066 PWs) bands (ev): -31.2330 -31.2330 -12.5583 -12.5583 -12.2246 -12.2246 -12.1069 -12.1069 -1.5268 -1.5268 -0.6977 -0.6977 4.9178 4.9178 5.1934 5.1934 5.6277 5.6277 6.3211 6.3211 6.8653 6.8653 8.0831 8.0831 8.1648 8.1648 8.3928 8.3928 8.5554 8.5554 9.4997 9.4997 9.6733 9.6733 9.7798 9.7798 9.7940 9.7940 10.0670 10.0670 10.8235 10.8235 11.3119 11.3119 k = 0.5000 0.2422 0.8338 ( 3072 PWs) bands (ev): -31.2332 -31.2332 -12.5574 -12.5574 -12.2231 -12.2231 -12.1071 -12.1071 -1.5321 -1.5321 -0.7343 -0.7343 4.9555 4.9555 5.2336 5.2336 5.5993 5.5993 6.3338 6.3338 6.8672 6.8672 8.0402 8.0402 8.1786 8.1786 8.3909 8.3909 8.5816 8.5816 9.5059 9.5059 9.6888 9.6888 9.7858 9.7858 9.8315 9.8315 10.0991 10.0991 10.8232 10.8232 11.3481 11.3481 k = 0.5000 0.2422 0.8139 ( 3076 PWs) bands (ev): -31.2334 -31.2334 -12.5563 -12.5563 -12.2216 -12.2216 -12.1073 -12.1073 -1.5381 -1.5381 -0.7720 -0.7720 4.9954 4.9954 5.2746 5.2746 5.5712 5.5712 6.3479 6.3479 6.8689 6.8689 7.9959 7.9959 8.1933 8.1933 8.3881 8.3881 8.6091 8.6091 9.5130 9.5130 9.7046 9.7046 9.7868 9.7868 9.8779 9.8779 10.1330 10.1330 10.8229 10.8229 11.3861 11.3861 k = 0.5000 0.2422 0.7941 ( 3076 PWs) bands (ev): -31.2337 -31.2337 -12.5552 -12.5552 -12.2200 -12.2200 -12.1075 -12.1075 -1.5447 -1.5447 -0.8106 -0.8106 5.0375 5.0375 5.3160 5.3160 5.5438 5.5438 6.3634 6.3634 6.8704 6.8704 7.9509 7.9509 8.2087 8.2087 8.3842 8.3842 8.6379 8.6379 9.5210 9.5210 9.7189 9.7189 9.7908 9.7908 9.9264 9.9264 10.1688 10.1688 10.8226 10.8226 11.4259 11.4259 k = 0.5000 0.2422 0.7742 ( 3076 PWs) bands (ev): -31.2339 -31.2339 -12.5540 -12.5540 -12.2184 -12.2184 -12.1077 -12.1077 -1.5520 -1.5520 -0.8499 -0.8499 5.0817 5.0817 5.3570 5.3570 5.5182 5.5182 6.3802 6.3802 6.8718 6.8718 7.9055 7.9055 8.2246 8.2246 8.3791 8.3791 8.6680 8.6680 9.5301 9.5301 9.7295 9.7295 9.8003 9.8003 9.9766 9.9766 10.2063 10.2063 10.8223 10.8223 11.4677 11.4677 k = 0.5000 0.2422 0.7544 ( 3078 PWs) bands (ev): -31.2342 -31.2342 -12.5528 -12.5528 -12.2166 -12.2166 -12.1079 -12.1079 -1.5600 -1.5600 -0.8899 -0.8899 5.1280 5.1280 5.3949 5.3949 5.4969 5.4969 6.3984 6.3984 6.8729 6.8729 7.8599 7.8599 8.2410 8.2410 8.3728 8.3728 8.6990 8.6990 9.5401 9.5401 9.7351 9.7351 9.8164 9.8164 10.0281 10.0281 10.2456 10.2456 10.8219 10.8219 11.5114 11.5114 k = 0.5000 0.2422 0.7345 ( 3082 PWs) bands (ev): -31.2344 -31.2344 -12.5516 -12.5516 -12.2148 -12.2148 -12.1082 -12.1082 -1.5687 -1.5687 -0.9303 -0.9303 5.1763 5.1763 5.4195 5.4195 5.4903 5.4903 6.4178 6.4178 6.8738 6.8738 7.8144 7.8144 8.2578 8.2578 8.3654 8.3654 8.7311 8.7311 9.5511 9.5511 9.7369 9.7369 9.8381 9.8381 10.0807 10.0807 10.2866 10.2866 10.8216 10.8216 11.5573 11.5573 k = 0.5000 0.2422 0.7147 ( 3086 PWs) bands (ev): -31.2347 -31.2347 -12.5503 -12.5503 -12.2129 -12.2129 -12.1084 -12.1084 -1.5782 -1.5782 -0.9710 -0.9710 5.2263 5.2263 5.4160 5.4160 5.5133 5.5133 6.4385 6.4385 6.8743 6.8743 7.7691 7.7691 8.2749 8.2749 8.3571 8.3571 8.7640 8.7640 9.5629 9.5629 9.7364 9.7364 9.8634 9.8634 10.1340 10.1340 10.3295 10.3295 10.8213 10.8213 11.6054 11.6054 k = 0.5000 0.2422 0.6948 ( 3092 PWs) bands (ev): -31.2350 -31.2350 -12.5490 -12.5490 -12.2110 -12.2110 -12.1086 -12.1086 -1.5883 -1.5883 -1.0119 -1.0119 5.2773 5.2773 5.3995 5.3995 5.5515 5.5515 6.4605 6.4605 6.8746 6.8746 7.7243 7.7243 8.2917 8.2917 8.3484 8.3484 8.7976 8.7976 9.5758 9.5758 9.7351 9.7351 9.8912 9.8912 10.1877 10.1877 10.3741 10.3741 10.8209 10.8209 11.6559 11.6559 k = 0.5000 0.2422 0.6750 ( 3096 PWs) bands (ev): -31.2353 -31.2353 -12.5476 -12.5476 -12.2090 -12.2090 -12.1088 -12.1088 -1.5993 -1.5993 -1.0529 -1.0529 5.3257 5.3257 5.3849 5.3849 5.5934 5.5934 6.4836 6.4836 6.8746 6.8746 7.6799 7.6799 8.3063 8.3063 8.3417 8.3417 8.8316 8.8316 9.5895 9.5895 9.7334 9.7334 9.9205 9.9205 10.2413 10.2413 10.4206 10.4206 10.8206 10.8206 11.7088 11.7088 k = 0.5000 0.2422 0.6551 ( 3092 PWs) bands (ev): -31.2355 -31.2355 -12.5462 -12.5462 -12.2070 -12.2070 -12.1090 -12.1090 -1.6109 -1.6109 -1.0937 -1.0937 5.3431 5.3431 5.4032 5.4032 5.6364 5.6364 6.5080 6.5080 6.8742 6.8742 7.6363 7.6363 8.3103 8.3103 8.3453 8.3453 8.8658 8.8658 9.6040 9.6040 9.7319 9.7319 9.9508 9.9508 10.2943 10.2943 10.4689 10.4689 10.8204 10.8204 11.7643 11.7643 k = 0.5000 0.2422 0.6353 ( 3102 PWs) bands (ev): -31.2358 -31.2358 -12.5448 -12.5448 -12.2049 -12.2049 -12.1092 -12.1092 -1.6233 -1.6233 -1.1343 -1.1343 5.3292 5.3292 5.4554 5.4554 5.6797 5.6797 6.5336 6.5336 6.8735 6.8735 7.5933 7.5933 8.3019 8.3019 8.3607 8.3607 8.9001 8.9001 9.6191 9.6191 9.7309 9.7309 9.9817 9.9817 10.3459 10.3459 10.5190 10.5190 10.8202 10.8202 11.8222 11.8222 k = 0.5000 0.2422 0.6154 ( 3098 PWs) bands (ev): -31.2361 -31.2361 -12.5433 -12.5433 -12.2027 -12.2027 -12.1094 -12.1094 -1.6363 -1.6363 -1.1746 -1.1746 5.3118 5.3118 5.5139 5.5139 5.7229 5.7229 6.5603 6.5603 6.8726 6.8726 7.5513 7.5513 8.2893 8.2893 8.3805 8.3805 8.9342 8.9342 9.6347 9.6347 9.7309 9.7309 10.0129 10.0129 10.3956 10.3956 10.5709 10.5709 10.8200 10.8200 11.8827 11.8827 k = 0.5000 0.2422 0.5956 ( 3094 PWs) bands (ev): -31.2364 -31.2364 -12.5419 -12.5419 -12.2005 -12.2005 -12.1096 -12.1096 -1.6500 -1.6500 -1.2144 -1.2144 5.2947 5.2947 5.5749 5.5749 5.7659 5.7659 6.5882 6.5882 6.8714 6.8714 7.5102 7.5102 8.2750 8.2750 8.4021 8.4021 8.9677 8.9677 9.6503 9.6503 9.7324 9.7324 10.0441 10.0441 10.4425 10.4425 10.6247 10.6247 10.8199 10.8199 11.9456 11.9456 k = 0.5000 0.2422 0.5757 ( 3090 PWs) bands (ev): -31.2367 -31.2367 -12.5404 -12.5404 -12.1983 -12.1983 -12.1098 -12.1098 -1.6642 -1.6642 -1.2538 -1.2538 5.2785 5.2785 5.6378 5.6378 5.8085 5.8085 6.6172 6.6172 6.8698 6.8698 7.4701 7.4701 8.2596 8.2596 8.4248 8.4248 9.0002 9.0002 9.6657 9.6657 9.7360 9.7360 10.0750 10.0750 10.4856 10.4856 10.6802 10.6802 10.8198 10.8198 12.0108 12.0108 k = 0.5000 0.2422 0.5558 ( 3096 PWs) bands (ev): -31.2370 -31.2370 -12.5389 -12.5389 -12.1960 -12.1960 -12.1100 -12.1100 -1.6791 -1.6791 -1.2925 -1.2925 5.2634 5.2634 5.7024 5.7024 5.8506 5.8506 6.6471 6.6471 6.8680 6.8680 7.4311 7.4311 8.2436 8.2436 8.4486 8.4486 9.0313 9.0313 9.6800 9.6800 9.7424 9.7424 10.1054 10.1054 10.5238 10.5238 10.7374 10.7374 10.8199 10.8199 12.0781 12.0781 k = 0.5000 0.2422 0.5360 ( 3104 PWs) bands (ev): -31.2373 -31.2373 -12.5374 -12.5374 -12.1938 -12.1938 -12.1102 -12.1102 -1.6944 -1.6944 -1.3305 -1.3305 5.2493 5.2493 5.7683 5.7683 5.8923 5.8923 6.6780 6.6780 6.8660 6.8660 7.3933 7.3933 8.2269 8.2269 8.4733 8.4733 9.0608 9.0608 9.6930 9.6930 9.7524 9.7524 10.1351 10.1351 10.5562 10.5562 10.7959 10.7959 10.8203 10.8203 12.1469 12.1469 k = 0.5000 0.2422 0.5161 ( 3104 PWs) bands (ev): -31.2376 -31.2376 -12.5359 -12.5359 -12.1915 -12.1915 -12.1103 -12.1103 -1.7101 -1.7101 -1.3677 -1.3677 5.2364 5.2364 5.8354 5.8354 5.9336 5.9336 6.7097 6.7097 6.8639 6.8639 7.3565 7.3565 8.2099 8.2099 8.4990 8.4990 9.0880 9.0880 9.7048 9.7048 9.7659 9.7659 10.1641 10.1641 10.5820 10.5820 10.8189 10.8189 10.8580 10.8580 12.1957 12.1974 k = 0.5000 0.2422 0.4963 ( 3104 PWs) bands (ev): -31.2379 -31.2379 -12.5344 -12.5344 -12.1892 -12.1892 -12.1105 -12.1105 -1.7262 -1.7262 -1.4041 -1.4041 5.2246 5.2246 5.9030 5.9030 5.9748 5.9748 6.7419 6.7419 6.8619 6.8619 7.3210 7.3210 8.1925 8.1925 8.5256 8.5256 9.1124 9.1124 9.7163 9.7163 9.7825 9.7825 10.1922 10.1922 10.6004 10.6004 10.8190 10.8190 10.9201 10.9201 12.1975 12.1975 k = 0.5000 0.2422 0.4764 ( 3108 PWs) bands (ev): -31.2382 -31.2382 -12.5329 -12.5329 -12.1870 -12.1870 -12.1107 -12.1107 -1.7426 -1.7426 -1.4395 -1.4395 5.2139 5.2139 5.9698 5.9698 6.0174 6.0174 6.7740 6.7740 6.8607 6.8607 7.2867 7.2867 8.1748 8.1748 8.5532 8.5532 9.1338 9.1338 9.7282 9.7282 9.8010 9.8010 10.2192 10.2192 10.6113 10.6113 10.8188 10.8188 10.9841 10.9841 12.2105 12.2105 k = 0.5000 0.2422 0.4566 ( 3108 PWs) bands (ev): -31.2385 -31.2385 -12.5315 -12.5315 -12.1847 -12.1847 -12.1108 -12.1108 -1.7593 -1.7593 -1.4739 -1.4739 5.2041 5.2041 6.0301 6.0301 6.0668 6.0668 6.8041 6.8041 6.8619 6.8619 7.2536 7.2536 8.1572 8.1572 8.5817 8.5817 9.1515 9.1515 9.7416 9.7416 9.8210 9.8210 10.2452 10.2452 10.6145 10.6145 10.8183 10.8183 11.0497 11.0497 12.2355 12.2355 k = 0.5000 0.2422 0.4367 ( 3106 PWs) bands (ev): -31.2388 -31.2388 -12.5300 -12.5300 -12.1824 -12.1824 -12.1109 -12.1109 -1.7760 -1.7760 -1.5073 -1.5073 5.1953 5.1953 6.0770 6.0770 6.1297 6.1297 6.8260 6.8260 6.8719 6.8719 7.2218 7.2218 8.1395 8.1395 8.6111 8.6111 9.1655 9.1655 9.7568 9.7568 9.8418 9.8418 10.2700 10.2700 10.6106 10.6106 10.8176 10.8176 11.1167 11.1167 12.2723 12.2723 k = 0.5000 0.2422 0.4169 ( 3114 PWs) bands (ev): -31.2390 -31.2390 -12.5286 -12.5286 -12.1802 -12.1802 -12.1111 -12.1111 -1.7928 -1.7928 -1.5395 -1.5395 5.1873 5.1873 6.1166 6.1166 6.1998 6.1998 6.8334 6.8334 6.8966 6.8966 7.1913 7.1913 8.1218 8.1218 8.6413 8.6413 9.1754 9.1754 9.7739 9.7739 9.8632 9.8632 10.2937 10.2937 10.6000 10.6000 10.8166 10.8166 11.1851 11.1851 12.3199 12.3199 k = 0.5000 0.2422 0.3970 ( 3110 PWs) bands (ev): -31.2393 -31.2393 -12.5272 -12.5272 -12.1780 -12.1780 -12.1112 -12.1112 -1.8096 -1.8096 -1.5705 -1.5705 5.1801 5.1801 6.1536 6.1536 6.2724 6.2724 6.8334 6.8334 6.9289 6.9289 7.1622 7.1622 8.1043 8.1043 8.6724 8.6724 9.1812 9.1812 9.7930 9.7930 9.8849 9.8849 10.3162 10.3162 10.5839 10.5839 10.8154 10.8154 11.2548 11.2548 12.3765 12.3765 k = 0.5000 0.2422 0.3772 ( 3110 PWs) bands (ev): -31.2396 -31.2396 -12.5258 -12.5258 -12.1758 -12.1758 -12.1113 -12.1113 -1.8263 -1.8263 -1.6003 -1.6003 5.1736 5.1736 6.1890 6.1890 6.3461 6.3461 6.8311 6.8311 6.9633 6.9633 7.1346 7.1346 8.0871 8.0871 8.7042 8.7042 9.1830 9.1830 9.8138 9.8138 9.9066 9.9066 10.3375 10.3375 10.5629 10.5629 10.8141 10.8141 11.3255 11.3255 12.3291 12.3291 k = 0.5000 0.2422 0.3573 ( 3106 PWs) bands (ev): -31.2398 -31.2398 -12.5245 -12.5245 -12.1737 -12.1737 -12.1113 -12.1113 -1.8427 -1.8427 -1.6289 -1.6289 5.1678 5.1678 6.2233 6.2233 6.4203 6.4203 6.8279 6.8279 6.9976 6.9976 7.1092 7.1092 8.0703 8.0703 8.7368 8.7368 9.1810 9.1810 9.8360 9.8360 9.9283 9.9283 10.3575 10.3575 10.5383 10.5383 10.8128 10.8128 11.3971 11.3971 12.2625 12.2625 k = 0.5000 0.2422 0.3375 ( 3106 PWs) bands (ev): -31.2401 -31.2401 -12.5232 -12.5232 -12.1717 -12.1717 -12.1114 -12.1114 -1.8589 -1.8589 -1.6561 -1.6561 5.1626 5.1626 6.2564 6.2564 6.4948 6.4948 6.8243 6.8243 7.0285 7.0285 7.0887 7.0887 8.0538 8.0538 8.7700 8.7700 9.1753 9.1753 9.8592 9.8592 9.9497 9.9497 10.3762 10.3762 10.5109 10.5109 10.8113 10.8113 11.4694 11.4694 12.1966 12.1966 k = 0.5000 0.2422 0.3176 ( 3098 PWs) bands (ev): -31.2403 -31.2403 -12.5219 -12.5219 -12.1697 -12.1697 -12.1114 -12.1114 -1.8747 -1.8747 -1.6819 -1.6819 5.1580 5.1580 6.2886 6.2886 6.5692 6.5692 6.8205 6.8205 7.0390 7.0390 7.0897 7.0897 8.0379 8.0379 8.8037 8.8037 9.1662 9.1662 9.8828 9.8828 9.9708 9.9708 10.3931 10.3931 10.4822 10.4822 10.8098 10.8098 11.5422 11.5422 12.1321 12.1321 k = 0.5000 0.2422 0.2978 ( 3094 PWs) bands (ev): -31.2405 -31.2405 -12.5207 -12.5207 -12.1678 -12.1678 -12.1115 -12.1115 -1.8900 -1.8900 -1.7064 -1.7064 5.1539 5.1539 6.3197 6.3197 6.6430 6.6430 6.8168 6.8168 7.0238 7.0238 7.1174 7.1174 8.0224 8.0224 8.8377 8.8377 9.1539 9.1539 9.9065 9.9065 9.9913 9.9913 10.4068 10.4068 10.4542 10.4542 10.8082 10.8082 11.6152 11.6152 12.0693 12.0693 k = 0.5000 0.2422 0.2779 ( 3098 PWs) bands (ev): -31.2407 -31.2407 -12.5196 -12.5196 -12.1660 -12.1660 -12.1115 -12.1115 -1.9047 -1.9047 -1.7294 -1.7294 5.1502 5.1502 6.3498 6.3498 6.7157 6.7157 6.8131 6.8131 7.0037 7.0037 7.1506 7.1506 8.0075 8.0075 8.8720 8.8720 9.1387 9.1387 9.9298 9.9298 10.0111 10.0111 10.4053 10.4053 10.4396 10.4396 10.8064 10.8064 11.6879 11.6879 12.0090 12.0090 k = 0.5000 0.2422 0.2581 ( 3094 PWs) bands (ev): -31.2409 -31.2409 -12.5185 -12.5185 -12.1642 -12.1642 -12.1116 -12.1116 -1.9189 -1.9189 -1.7510 -1.7510 5.1470 5.1470 6.3789 6.3789 6.7848 6.7848 6.8114 6.8114 6.9840 6.9840 7.1844 7.1844 7.9933 7.9933 8.9064 8.9064 9.1209 9.1209 9.9524 9.9524 10.0301 10.0301 10.3803 10.3803 10.4474 10.4474 10.8045 10.8045 11.7597 11.7597 11.9518 11.9518 k = 0.5000 0.2422 0.2382 ( 3094 PWs) bands (ev): -31.2411 -31.2411 -12.5175 -12.5175 -12.1626 -12.1626 -12.1116 -12.1116 -1.9323 -1.9323 -1.7711 -1.7711 5.1441 5.1441 6.4069 6.4069 6.8031 6.8031 6.8566 6.8566 6.9673 6.9673 7.2176 7.2176 7.9799 7.9799 8.9405 8.9405 9.1007 9.1007 9.9739 9.9739 10.0480 10.0480 10.3506 10.3506 10.4593 10.4593 10.8025 10.8025 11.8281 11.8281 11.9002 11.9002 k = 0.5000 0.2422 0.2184 ( 3094 PWs) bands (ev): -31.2413 -31.2413 -12.5166 -12.5166 -12.1610 -12.1610 -12.1116 -12.1116 -1.9449 -1.9449 -1.7897 -1.7897 5.1415 5.1415 6.4339 6.4339 6.8000 6.8000 6.9071 6.9071 6.9656 6.9656 7.2499 7.2499 7.9672 7.9672 8.9742 8.9742 9.0786 9.0786 9.9942 9.9942 10.0649 10.0649 10.3209 10.3209 10.4710 10.4710 10.8003 10.8003 11.8389 11.8389 11.9084 11.9084 k = 0.5000 0.2422 0.1985 ( 3102 PWs) bands (ev): -31.2415 -31.2415 -12.5158 -12.5158 -12.1596 -12.1596 -12.1117 -12.1117 -1.9567 -1.9567 -1.8067 -1.8067 5.1393 5.1393 6.4598 6.4598 6.7962 6.7962 6.9108 6.9108 7.0096 7.0096 7.2809 7.2809 7.9554 7.9554 9.0070 9.0070 9.0549 9.0549 10.0129 10.0129 10.0801 10.0801 10.2924 10.2924 10.4820 10.4820 10.7980 10.7980 11.7949 11.7949 11.9732 11.9732 k = 0.5000 0.2422 0.1787 ( 3096 PWs) bands (ev): -31.2416 -31.2416 -12.5150 -12.5150 -12.1583 -12.1583 -12.1117 -12.1117 -1.9676 -1.9676 -1.8222 -1.8222 5.1373 5.1373 6.4847 6.4847 6.7924 6.7924 6.8972 6.8972 7.0687 7.0687 7.3107 7.3107 7.9446 7.9446 9.0294 9.0294 9.0395 9.0395 10.0300 10.0300 10.0937 10.0937 10.2658 10.2658 10.4920 10.4920 10.7957 10.7957 11.7525 11.7525 12.0380 12.0380 k = 0.5000 0.2422 0.1588 ( 3090 PWs) bands (ev): -31.2417 -31.2417 -12.5142 -12.5142 -12.1571 -12.1571 -12.1117 -12.1117 -1.9774 -1.9774 -1.8361 -1.8361 5.1356 5.1356 6.5083 6.5083 6.7884 6.7884 6.8819 6.8819 7.1265 7.1265 7.3392 7.3392 7.9348 7.9348 9.0043 9.0043 9.0695 9.0695 10.0453 10.0453 10.1049 10.1049 10.2419 10.2419 10.5010 10.5010 10.7933 10.7933 11.7141 11.7141 12.0996 12.0996 k = 0.5000 0.2422 0.1390 ( 3086 PWs) bands (ev): -31.2419 -31.2419 -12.5136 -12.5136 -12.1560 -12.1560 -12.1117 -12.1117 -1.9863 -1.9863 -1.8484 -1.8484 5.1341 5.1341 6.5308 6.5308 6.7842 6.7842 6.8670 6.8670 7.1800 7.1800 7.3662 7.3662 7.9260 7.9260 8.9787 8.9787 9.0980 9.0980 10.0588 10.0588 10.1134 10.1134 10.2215 10.2215 10.5090 10.5090 10.7910 10.7910 11.6801 11.6801 12.1571 12.1571 k = 0.5000 0.2422 0.1191 ( 3086 PWs) bands (ev): -31.2420 -31.2420 -12.5130 -12.5130 -12.1551 -12.1551 -12.1117 -12.1117 -1.9941 -1.9941 -1.8590 -1.8590 5.1328 5.1328 6.5519 6.5519 6.7796 6.7796 6.8532 6.8532 7.2277 7.2277 7.3920 7.3920 7.9182 7.9182 8.9537 8.9537 9.1242 9.1242 10.0702 10.0702 10.1180 10.1180 10.2059 10.2059 10.5160 10.5160 10.7887 10.7887 11.6507 11.6507 12.2093 12.2093 k = 0.5000 0.2422 0.0993 ( 3082 PWs) bands (ev): -31.2421 -31.2421 -12.5125 -12.5125 -12.1543 -12.1543 -12.1117 -12.1117 -2.0007 -2.0007 -1.8681 -1.8681 5.1318 5.1318 6.5715 6.5715 6.7744 6.7744 6.8411 6.8411 7.2684 7.2684 7.4164 7.4164 7.9116 7.9116 8.9304 8.9304 9.1475 9.1475 10.0797 10.0797 10.1183 10.1183 10.1960 10.1960 10.5219 10.5219 10.7866 10.7866 11.6258 11.6258 12.2551 12.2551 k = 0.5000 0.2422 0.0794 ( 3072 PWs) bands (ev): -31.2421 -31.2421 -12.5121 -12.5121 -12.1536 -12.1536 -12.1116 -12.1116 -2.0062 -2.0062 -1.8755 -1.8755 5.1309 5.1309 6.5893 6.5893 6.7686 6.7686 6.8310 6.8310 7.3012 7.3012 7.4390 7.4390 7.9062 7.9062 8.9094 8.9094 9.1675 9.1675 10.0867 10.0867 10.1152 10.1152 10.1915 10.1915 10.5267 10.5267 10.7848 10.7848 11.6056 11.6056 12.2930 12.2930 k = 0.5000 0.2422 0.0596 ( 3076 PWs) bands (ev): -31.2422 -31.2422 -12.5118 -12.5118 -12.1531 -12.1531 -12.1117 -12.1117 -2.0105 -2.0105 -1.8813 -1.8813 5.1303 5.1303 6.6047 6.6047 6.7622 6.7622 6.8234 6.8234 7.3260 7.3260 7.4589 7.4589 7.9020 7.9020 8.8918 8.8918 9.1836 9.1836 10.0908 10.0908 10.1113 10.1113 10.1904 10.1904 10.5305 10.5305 10.7832 10.7832 11.5899 11.5899 12.3213 12.3213 k = 0.5000 0.2422 0.0397 ( 3076 PWs) bands (ev): -31.2422 -31.2422 -12.5116 -12.5116 -12.1527 -12.1527 -12.1117 -12.1117 -2.0136 -2.0136 -1.8855 -1.8855 5.1298 5.1298 6.6171 6.6171 6.7562 6.7562 6.8181 6.8181 7.3430 7.3430 7.4745 7.4745 7.8989 7.8989 8.8784 8.8784 9.1954 9.1954 10.0914 10.0914 10.1095 10.1095 10.1907 10.1907 10.5332 10.5332 10.7820 10.7820 11.5788 11.5788 12.3384 12.3384 k = 0.5000 0.2422 0.0199 ( 3072 PWs) bands (ev): -31.2422 -31.2422 -12.5114 -12.5114 -12.1525 -12.1525 -12.1116 -12.1116 -2.0155 -2.0155 -1.8880 -1.8880 5.1295 5.1295 6.6253 6.6253 6.7516 6.7516 6.8151 6.8151 7.3530 7.3530 7.4846 7.4846 7.8971 7.8971 8.8701 8.8701 9.2027 9.2027 10.0901 10.0901 10.1095 10.1095 10.1914 10.1914 10.5348 10.5348 10.7813 10.7813 11.5721 11.5721 12.3455 12.3455 k = 0.5000 0.2422-0.0000 ( 3072 PWs) bands (ev): -31.2422 -31.2422 -12.5114 -12.5114 -12.1524 -12.1524 -12.1116 -12.1116 -2.0161 -2.0161 -1.8888 -1.8888 5.1295 5.1295 6.6282 6.6282 6.7499 6.7499 6.8141 6.8141 7.3562 7.3562 7.4881 7.4881 7.8965 7.8965 8.8672 8.8672 9.2052 9.2052 10.0894 10.0894 10.1097 10.1097 10.1916 10.1916 10.5354 10.5354 10.7811 10.7811 11.5699 11.5699 12.3471 12.3471 k = 0.0000 0.0000 1.1470 ( 3108 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1056 -12.1056 -1.4977 -1.4977 -0.3955 -0.3955 4.6423 4.6423 4.8548 4.8548 5.8777 5.8777 6.2776 6.2776 6.8431 6.8431 8.0270 8.0270 8.3380 8.3380 8.3653 8.3653 8.4958 8.4958 9.4339 9.4339 9.4835 9.4835 9.5963 9.5963 9.8154 9.8154 9.8198 9.8198 10.8258 10.8258 11.0107 11.0107 k = 0.0179 0.0086 1.1470 ( 3104 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1055 -12.1055 -1.4977 -1.4977 -0.3955 -0.3955 4.6428 4.6428 4.8539 4.8539 5.8778 5.8778 6.2794 6.2794 6.8413 6.8413 8.0264 8.0264 8.3384 8.3384 8.3658 8.3658 8.4955 8.4955 9.4340 9.4340 9.4833 9.4833 9.5960 9.5960 9.8154 9.8154 9.8198 9.8198 10.8265 10.8265 11.0103 11.0103 k = 0.0357 0.0173 1.1470 ( 3104 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1055 -12.1055 -1.4977 -1.4977 -0.3955 -0.3955 4.6444 4.6444 4.8514 4.8514 5.8780 5.8780 6.2849 6.2849 6.8357 6.8357 8.0249 8.0249 8.3395 8.3395 8.3671 8.3671 8.4945 8.4945 9.4343 9.4343 9.4827 9.4827 9.5954 9.5954 9.8154 9.8154 9.8198 9.8198 10.8287 10.8287 11.0089 11.0089 k = 0.0536 0.0259 1.1470 ( 3104 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1055 -12.1055 -1.4977 -1.4977 -0.3955 -0.3955 4.6471 4.6471 4.8473 4.8473 5.8785 5.8785 6.2940 6.2940 6.8266 6.8266 8.0223 8.0223 8.3413 8.3413 8.3694 8.3694 8.4930 8.4930 9.4349 9.4349 9.4816 9.4816 9.5944 9.5944 9.8155 9.8155 9.8198 9.8198 10.8323 10.8323 11.0066 11.0066 k = 0.0714 0.0346 1.1470 ( 3100 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1055 -12.1055 -1.4977 -1.4977 -0.3955 -0.3955 4.6508 4.6508 4.8417 4.8417 5.8791 5.8791 6.3064 6.3064 6.8141 6.8141 8.0190 8.0190 8.3436 8.3436 8.3726 8.3726 8.4908 8.4908 9.4357 9.4357 9.4802 9.4802 9.5930 9.5930 9.8156 9.8156 9.8197 9.8197 10.8372 10.8372 11.0035 11.0035 k = 0.0893 0.0432 1.1470 ( 3108 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1055 -12.1055 -1.4977 -1.4977 -0.3956 -0.3956 4.6555 4.6555 4.8346 4.8346 5.8798 5.8798 6.3221 6.3221 6.7983 6.7983 8.0150 8.0150 8.3462 8.3462 8.3767 8.3767 8.4879 8.4879 9.4367 9.4367 9.4784 9.4784 9.5914 9.5914 9.8157 9.8157 9.8197 9.8197 10.8433 10.8433 10.9993 10.9993 k = 0.1071 0.0519 1.1470 ( 3112 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2352 -12.2352 -12.1056 -12.1056 -1.4977 -1.4977 -0.3956 -0.3956 4.6612 4.6612 4.8264 4.8264 5.8806 5.8806 6.3407 6.3407 6.7796 6.7796 8.0106 8.0106 8.3490 8.3490 8.3816 8.3816 8.4844 8.4844 9.4379 9.4379 9.4764 9.4764 9.5896 9.5896 9.8158 9.8158 9.8196 9.8196 10.8506 10.8506 10.9943 10.9943 k = 0.1250 0.0605 1.1470 ( 3106 PWs) bands (ev): -31.2314 -31.2314 -12.5659 -12.5659 -12.2352 -12.2352 -12.1055 -12.1055 -1.4976 -1.4976 -0.3957 -0.3957 4.6678 4.6678 4.8171 4.8171 5.8815 5.8815 6.3620 6.3620 6.7581 6.7581 8.0060 8.0060 8.3519 8.3519 8.3872 8.3872 8.4804 8.4804 9.4394 9.4394 9.4740 9.4740 9.5877 9.5877 9.8158 9.8158 9.8197 9.8197 10.8588 10.8588 10.9885 10.9885 k = 0.1429 0.0692 1.1470 ( 3114 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2352 -12.2352 -12.1056 -12.1056 -1.4976 -1.4976 -0.3958 -0.3958 4.6754 4.6754 4.8069 4.8069 5.8824 5.8824 6.3857 6.3857 6.7342 6.7342 8.0015 8.0015 8.3544 8.3544 8.3934 8.3934 8.4758 8.4758 9.4410 9.4410 9.4715 9.4715 9.5858 9.5858 9.8158 9.8158 9.8196 9.8196 10.8677 10.8677 10.9820 10.9820 k = 0.1607 0.0778 1.1470 ( 3122 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2353 -12.2353 -12.1056 -12.1056 -1.4976 -1.4976 -0.3958 -0.3958 4.6837 4.6837 4.7961 4.7961 5.8832 5.8832 6.4115 6.4115 6.7082 6.7082 7.9972 7.9972 8.3567 8.3567 8.4002 8.4002 8.4708 8.4708 9.4428 9.4428 9.4688 9.4688 9.5841 9.5841 9.8158 9.8158 9.8195 9.8195 10.8773 10.8773 10.9747 10.9747 k = 0.1786 0.0865 1.1470 ( 3126 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2353 -12.2353 -12.1056 -12.1056 -1.4976 -1.4976 -0.3959 -0.3959 4.6928 4.6928 4.7848 4.7848 5.8840 5.8840 6.4390 6.4390 6.6805 6.6805 7.9934 7.9934 8.3587 8.3587 8.4072 8.4072 8.4653 8.4653 9.4448 9.4448 9.4660 9.4660 9.5825 9.5825 9.8158 9.8158 9.8193 9.8193 10.8873 10.8873 10.9666 10.9666 k = 0.1964 0.0951 1.1470 ( 3118 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2352 -12.2352 -12.1056 -12.1056 -1.4975 -1.4975 -0.3959 -0.3959 4.7025 4.7025 4.7732 4.7732 5.8847 5.8847 6.4680 6.4680 6.6515 6.6515 7.9904 7.9904 8.3604 8.3604 8.4145 8.4145 8.4594 8.4594 9.4471 9.4471 9.4633 9.4633 9.5812 9.5812 9.8160 9.8160 9.8193 9.8193 10.8977 10.8977 10.9580 10.9580 k = 0.2143 0.1038 1.1470 ( 3120 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2352 -12.2352 -12.1056 -12.1056 -1.4975 -1.4975 -0.3959 -0.3959 4.7127 4.7127 4.7616 4.7616 5.8852 5.8852 6.4980 6.4980 6.6214 6.6214 7.9881 7.9881 8.3616 8.3616 8.4217 8.4217 8.4532 8.4532 9.4494 9.4494 9.4605 9.4605 9.5802 9.5802 9.8160 9.8160 9.8192 9.8192 10.9082 10.9082 10.9488 10.9488 k = 0.2321 0.1124 1.1470 ( 3116 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2352 -12.2352 -12.1056 -12.1056 -1.4975 -1.4975 -0.3959 -0.3959 4.7229 4.7229 4.7506 4.7506 5.8855 5.8855 6.5286 6.5286 6.5907 6.5907 7.9866 7.9866 8.3623 8.3623 8.4285 8.4285 8.4471 8.4471 9.4519 9.4519 9.4577 9.4577 9.5796 9.5796 9.8160 9.8160 9.8192 9.8192 10.9187 10.9187 10.9391 10.9391 k = 0.2500 0.1211 1.1470 ( 3124 PWs) bands (ev): -31.2314 -31.2314 -12.5660 -12.5660 -12.2353 -12.2353 -12.1056 -12.1056 -1.4975 -1.4975 -0.3959 -0.3959 4.7298 4.7298 4.7434 4.7434 5.8856 5.8856 6.5555 6.5555 6.5637 6.5637 7.9861 7.9861 8.3626 8.3626 8.4324 8.4324 8.4434 8.4434 9.4536 9.4536 9.4558 9.4558 9.5794 9.5794 9.8159 9.8159 9.8191 9.8191 10.9283 10.9283 10.9297 10.9297 Writing output data file CaxFeAsx2.save init_run : 0.30s CPU 0.45s WALL ( 1 calls) electrons : 232.80s CPU 236.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 232.79s CPU 236.10s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 357 calls) cegterg : 210.39s CPU 213.10s WALL ( 566 calls) Called by sum_band: Called by *egterg: h_psi : 155.37s CPU 157.58s WALL ( 9946 calls) s_psi : 5.08s CPU 5.14s WALL ( 9946 calls) g_psi : 0.19s CPU 0.23s WALL ( 9023 calls) cdiaghg : 52.39s CPU 53.12s WALL ( 9380 calls) cegterg:over : 5.18s CPU 5.26s WALL ( 9023 calls) cegterg:upda : 4.19s CPU 4.05s WALL ( 9023 calls) cegterg:last : 2.46s CPU 2.54s WALL ( 1808 calls) cdiaghg:chol : 3.06s CPU 2.94s WALL ( 9380 calls) cdiaghg:inve : 1.70s CPU 1.70s WALL ( 9380 calls) cdiaghg:para : 2.91s CPU 3.09s WALL ( 18760 calls) Called by h_psi: h_psi:vloc : 143.56s CPU 145.79s WALL ( 9946 calls) h_psi:vnl : 11.62s CPU 11.58s WALL ( 9946 calls) add_vuspsi : 6.16s CPU 6.06s WALL ( 9946 calls) General routines calbec : 5.44s CPU 5.50s WALL ( 9946 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 135.23s CPU 137.51s WALL ( 966184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.35s WALL ( 714 calls) Parallel routines fft_scatter : 38.22s CPU 38.63s WALL ( 966207 calls) PWSCF : 4m 6.84s CPU 4m28.69s WALL This run was terminated on: 19:50:38 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=