Program PWSCF v.5.1.1 starts on 9Oct2015 at 14:43:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NbInSe2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 15 11 3 955 580 91 Max 16 12 4 974 598 108 Sum 757 559 163 46387 28247 4705 bravais-lattice index = 14 lattice parameter (alat) = 6.4440 a.u. unit-cell volume = 629.2843 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.443966 celldm(2)= 1.000000 celldm(3)= 2.715543 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.715543 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.368251 ) PseudoPot. # 1 for Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) Se 6.00 78.96000 Se( 1.00) In 13.00 114.81800 In( 1.00) 12 Sym. Ops. (no 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0092593 0.0053458 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0462963 0.0267292 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0648148 0.0374208 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0028249 k( 12) = ( 0.1018518 0.0588042 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1203704 0.0694959 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1574074 0.0908792 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1759259 0.1015709 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0028249 k( 23) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2129630 0.1229542 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2314815 0.1336459 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2685185 0.1550292 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2870370 0.1657209 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0028249 k( 34) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3240741 0.1871043 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3425926 0.1977959 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3796296 0.2191793 -0.0000000), wk = 0.0028249 k( 43) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0028249 k( 44) = ( 0.3981481 0.2298709 -0.0000000), wk = 0.0028249 k( 45) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0028249 k( 46) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0028249 k( 47) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0028249 k( 48) = ( 0.4351852 0.2512543 -0.0000000), wk = 0.0028249 k( 49) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0028249 k( 50) = ( 0.4537037 0.2619460 -0.0000000), wk = 0.0028249 k( 51) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0028249 k( 52) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0028249 k( 53) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0028249 k( 54) = ( 0.4907407 0.2833293 -0.0000000), wk = 0.0028249 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028249 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028249 k( 57) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0028249 k( 58) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0028249 k( 59) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0028249 k( 60) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0028249 k( 61) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0028249 k( 62) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0028249 k( 63) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0028249 k( 64) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0028249 k( 65) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0028249 k( 66) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0028249 k( 67) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0028249 k( 68) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0028249 k( 69) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0028249 k( 70) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0028249 k( 71) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0028249 k( 72) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0028249 k( 73) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0028249 k( 74) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0028249 k( 75) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0028249 k( 76) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0028249 k( 77) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0028249 k( 78) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0028249 k( 79) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0028249 k( 80) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0028249 k( 81) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0028249 k( 82) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0028249 k( 83) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0028249 k( 84) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0028249 k( 85) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0028249 k( 86) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0028249 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028249 k( 88) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028249 k( 89) = ( 0.3279570 0.5680382 -0.0000000), wk = 0.0028249 k( 90) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0028249 k( 91) = ( 0.3172043 0.5494140 -0.0000000), wk = 0.0028249 k( 92) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0028249 k( 93) = ( 0.3064516 0.5307898 -0.0000000), wk = 0.0028249 k( 94) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0028249 k( 95) = ( 0.2956989 0.5121656 -0.0000000), wk = 0.0028249 k( 96) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0028249 k( 97) = ( 0.2849462 0.4935414 -0.0000000), wk = 0.0028249 k( 98) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0028249 k( 99) = ( 0.2741936 0.4749172 -0.0000000), wk = 0.0028249 k( 100) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0028249 k( 101) = ( 0.2634409 0.4562930 -0.0000000), wk = 0.0028249 k( 102) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0028249 k( 103) = ( 0.2526882 0.4376687 -0.0000000), wk = 0.0028249 k( 104) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0028249 k( 105) = ( 0.2419355 0.4190445 -0.0000000), wk = 0.0028249 k( 106) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0028249 k( 107) = ( 0.2311828 0.4004204 -0.0000000), wk = 0.0028249 k( 108) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0028249 k( 109) = ( 0.2204301 0.3817962 -0.0000000), wk = 0.0028249 k( 110) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0028249 k( 111) = ( 0.2096774 0.3631719 -0.0000000), wk = 0.0028249 k( 112) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0028249 k( 113) = ( 0.1989247 0.3445477 -0.0000000), wk = 0.0028249 k( 114) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0028249 k( 115) = ( 0.1881720 0.3259235 -0.0000000), wk = 0.0028249 k( 116) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0028249 k( 117) = ( 0.1774194 0.3072993 -0.0000000), wk = 0.0028249 k( 118) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0028249 k( 119) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028249 k( 120) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0028249 k( 121) = ( 0.1559140 0.2700509 -0.0000000), wk = 0.0028249 k( 122) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0028249 k( 123) = ( 0.1451613 0.2514267 -0.0000000), wk = 0.0028249 k( 124) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0028249 k( 125) = ( 0.1344086 0.2328025 -0.0000000), wk = 0.0028249 k( 126) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0028249 k( 127) = ( 0.1236559 0.2141783 -0.0000000), wk = 0.0028249 k( 128) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0028249 k( 129) = ( 0.1129032 0.1955541 -0.0000000), wk = 0.0028249 k( 130) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0028249 k( 131) = ( 0.1021505 0.1769299 -0.0000000), wk = 0.0028249 k( 132) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0028249 k( 133) = ( 0.0913979 0.1583057 -0.0000000), wk = 0.0028249 k( 134) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0028249 k( 135) = ( 0.0806452 0.1396815 -0.0000000), wk = 0.0028249 k( 136) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0028249 k( 137) = ( 0.0698925 0.1210573 -0.0000000), wk = 0.0028249 k( 138) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0028249 k( 139) = ( 0.0591398 0.1024331 -0.0000000), wk = 0.0028249 k( 140) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0028249 k( 141) = ( 0.0483871 0.0838089 -0.0000000), wk = 0.0028249 k( 142) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0028249 k( 143) = ( 0.0376344 0.0651847 -0.0000000), wk = 0.0028249 k( 144) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0028249 k( 145) = ( 0.0268817 0.0465605 -0.0000000), wk = 0.0028249 k( 146) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0028249 k( 147) = ( 0.0161290 0.0279363 -0.0000000), wk = 0.0028249 k( 148) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0028249 k( 149) = ( 0.0053763 0.0093121 -0.0000000), wk = 0.0028249 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.0108309), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.0216618), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.0324927), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.0433236), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.0541545), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.0649854), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.0758163), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.0866472), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.0974781), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.1083090), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.1191399), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.1299708), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.1408017), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.1516326), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.1624635), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.1732944), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.1841253), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.1841253), wk = 0.0028249 k( 170) = ( 0.0092593 0.0053458 0.1841253), wk = 0.0028249 k( 171) = ( 0.0185185 0.0106917 0.1841253), wk = 0.0028249 k( 172) = ( 0.0277778 0.0160375 0.1841253), wk = 0.0028249 k( 173) = ( 0.0370370 0.0213833 0.1841253), wk = 0.0028249 k( 174) = ( 0.0462963 0.0267292 0.1841253), wk = 0.0028249 k( 175) = ( 0.0555556 0.0320750 0.1841253), wk = 0.0028249 k( 176) = ( 0.0648148 0.0374208 0.1841253), wk = 0.0028249 k( 177) = ( 0.0740741 0.0427667 0.1841253), wk = 0.0028249 k( 178) = ( 0.0833333 0.0481125 0.1841253), wk = 0.0028249 k( 179) = ( 0.0925926 0.0534584 0.1841253), wk = 0.0028249 k( 180) = ( 0.1018518 0.0588042 0.1841253), wk = 0.0028249 k( 181) = ( 0.1111111 0.0641500 0.1841253), wk = 0.0028249 k( 182) = ( 0.1203704 0.0694959 0.1841253), wk = 0.0028249 k( 183) = ( 0.1296296 0.0748417 0.1841253), wk = 0.0028249 k( 184) = ( 0.1388889 0.0801875 0.1841253), wk = 0.0028249 k( 185) = ( 0.1481482 0.0855334 0.1841253), wk = 0.0028249 k( 186) = ( 0.1574074 0.0908792 0.1841253), wk = 0.0028249 k( 187) = ( 0.1666667 0.0962250 0.1841253), wk = 0.0028249 k( 188) = ( 0.1759259 0.1015709 0.1841253), wk = 0.0028249 k( 189) = ( 0.1851852 0.1069167 0.1841253), wk = 0.0028249 k( 190) = ( 0.1944444 0.1122625 0.1841253), wk = 0.0028249 k( 191) = ( 0.2037037 0.1176084 0.1841253), wk = 0.0028249 k( 192) = ( 0.2129630 0.1229542 0.1841253), wk = 0.0028249 k( 193) = ( 0.2222222 0.1283001 0.1841253), wk = 0.0028249 k( 194) = ( 0.2314815 0.1336459 0.1841253), wk = 0.0028249 k( 195) = ( 0.2407407 0.1389917 0.1841253), wk = 0.0028249 k( 196) = ( 0.2500000 0.1443376 0.1841253), wk = 0.0028249 k( 197) = ( 0.2592593 0.1496834 0.1841253), wk = 0.0028249 k( 198) = ( 0.2685185 0.1550292 0.1841253), wk = 0.0028249 k( 199) = ( 0.2777778 0.1603751 0.1841253), wk = 0.0028249 k( 200) = ( 0.2870370 0.1657209 0.1841253), wk = 0.0028249 k( 201) = ( 0.2962963 0.1710667 0.1841253), wk = 0.0028249 k( 202) = ( 0.3055556 0.1764126 0.1841253), wk = 0.0028249 k( 203) = ( 0.3148148 0.1817584 0.1841253), wk = 0.0028249 k( 204) = ( 0.3240741 0.1871043 0.1841253), wk = 0.0028249 k( 205) = ( 0.3333333 0.1924501 0.1841253), wk = 0.0028249 k( 206) = ( 0.3425926 0.1977959 0.1841253), wk = 0.0028249 k( 207) = ( 0.3518519 0.2031418 0.1841253), wk = 0.0028249 k( 208) = ( 0.3611111 0.2084876 0.1841253), wk = 0.0028249 k( 209) = ( 0.3703704 0.2138334 0.1841253), wk = 0.0028249 k( 210) = ( 0.3796296 0.2191793 0.1841253), wk = 0.0028249 k( 211) = ( 0.3888889 0.2245251 0.1841253), wk = 0.0028249 k( 212) = ( 0.3981481 0.2298709 0.1841253), wk = 0.0028249 k( 213) = ( 0.4074074 0.2352168 0.1841253), wk = 0.0028249 k( 214) = ( 0.4166667 0.2405626 0.1841253), wk = 0.0028249 k( 215) = ( 0.4259259 0.2459085 0.1841253), wk = 0.0028249 k( 216) = ( 0.4351852 0.2512543 0.1841253), wk = 0.0028249 k( 217) = ( 0.4444444 0.2566001 0.1841253), wk = 0.0028249 k( 218) = ( 0.4537037 0.2619460 0.1841253), wk = 0.0028249 k( 219) = ( 0.4629630 0.2672918 0.1841253), wk = 0.0028249 k( 220) = ( 0.4722222 0.2726376 0.1841253), wk = 0.0028249 k( 221) = ( 0.4814815 0.2779835 0.1841253), wk = 0.0028249 k( 222) = ( 0.4907407 0.2833293 0.1841253), wk = 0.0028249 k( 223) = ( 0.5000000 0.2886751 0.1841253), wk = 0.0028249 k( 224) = ( 0.5000000 0.2886751 0.1841253), wk = 0.0028249 k( 225) = ( 0.4946237 0.2979872 0.1841253), wk = 0.0028249 k( 226) = ( 0.4892473 0.3072993 0.1841253), wk = 0.0028249 k( 227) = ( 0.4838710 0.3166114 0.1841253), wk = 0.0028249 k( 228) = ( 0.4784946 0.3259235 0.1841253), wk = 0.0028249 k( 229) = ( 0.4731183 0.3352356 0.1841253), wk = 0.0028249 k( 230) = ( 0.4677419 0.3445477 0.1841253), wk = 0.0028249 k( 231) = ( 0.4623656 0.3538598 0.1841253), wk = 0.0028249 k( 232) = ( 0.4569893 0.3631720 0.1841253), wk = 0.0028249 k( 233) = ( 0.4516129 0.3724840 0.1841253), wk = 0.0028249 k( 234) = ( 0.4462366 0.3817961 0.1841253), wk = 0.0028249 k( 235) = ( 0.4408602 0.3911082 0.1841253), wk = 0.0028249 k( 236) = ( 0.4354839 0.4004203 0.1841253), wk = 0.0028249 k( 237) = ( 0.4301075 0.4097325 0.1841253), wk = 0.0028249 k( 238) = ( 0.4247312 0.4190445 0.1841253), wk = 0.0028249 k( 239) = ( 0.4193548 0.4283566 0.1841253), wk = 0.0028249 k( 240) = ( 0.4139785 0.4376687 0.1841253), wk = 0.0028249 k( 241) = ( 0.4086021 0.4469809 0.1841253), wk = 0.0028249 k( 242) = ( 0.4032258 0.4562930 0.1841253), wk = 0.0028249 k( 243) = ( 0.3978495 0.4656051 0.1841253), wk = 0.0028249 k( 244) = ( 0.3924731 0.4749172 0.1841253), wk = 0.0028249 k( 245) = ( 0.3870968 0.4842293 0.1841253), wk = 0.0028249 k( 246) = ( 0.3817204 0.4935414 0.1841253), wk = 0.0028249 k( 247) = ( 0.3763441 0.5028535 0.1841253), wk = 0.0028249 k( 248) = ( 0.3709677 0.5121656 0.1841253), wk = 0.0028249 k( 249) = ( 0.3655914 0.5214777 0.1841253), wk = 0.0028249 k( 250) = ( 0.3602150 0.5307898 0.1841253), wk = 0.0028249 k( 251) = ( 0.3548387 0.5401019 0.1841253), wk = 0.0028249 k( 252) = ( 0.3494624 0.5494140 0.1841253), wk = 0.0028249 k( 253) = ( 0.3440860 0.5587261 0.1841253), wk = 0.0028249 k( 254) = ( 0.3387097 0.5680382 0.1841253), wk = 0.0028249 k( 255) = ( 0.3333333 0.5773503 0.1841253), wk = 0.0028249 k( 256) = ( 0.3333333 0.5773503 0.1841253), wk = 0.0028249 k( 257) = ( 0.3279570 0.5680382 0.1841253), wk = 0.0028249 k( 258) = ( 0.3225807 0.5587261 0.1841253), wk = 0.0028249 k( 259) = ( 0.3172043 0.5494140 0.1841253), wk = 0.0028249 k( 260) = ( 0.3118280 0.5401019 0.1841253), wk = 0.0028249 k( 261) = ( 0.3064516 0.5307898 0.1841253), wk = 0.0028249 k( 262) = ( 0.3010753 0.5214777 0.1841253), wk = 0.0028249 k( 263) = ( 0.2956989 0.5121656 0.1841253), wk = 0.0028249 k( 264) = ( 0.2903226 0.5028535 0.1841253), wk = 0.0028249 k( 265) = ( 0.2849462 0.4935414 0.1841253), wk = 0.0028249 k( 266) = ( 0.2795699 0.4842293 0.1841253), wk = 0.0028249 k( 267) = ( 0.2741936 0.4749172 0.1841253), wk = 0.0028249 k( 268) = ( 0.2688172 0.4656050 0.1841253), wk = 0.0028249 k( 269) = ( 0.2634409 0.4562930 0.1841253), wk = 0.0028249 k( 270) = ( 0.2580645 0.4469809 0.1841253), wk = 0.0028249 k( 271) = ( 0.2526882 0.4376687 0.1841253), wk = 0.0028249 k( 272) = ( 0.2473118 0.4283567 0.1841253), wk = 0.0028249 k( 273) = ( 0.2419355 0.4190445 0.1841253), wk = 0.0028249 k( 274) = ( 0.2365591 0.4097324 0.1841253), wk = 0.0028249 k( 275) = ( 0.2311828 0.4004204 0.1841253), wk = 0.0028249 k( 276) = ( 0.2258064 0.3911082 0.1841253), wk = 0.0028249 k( 277) = ( 0.2204301 0.3817962 0.1841253), wk = 0.0028249 k( 278) = ( 0.2150538 0.3724840 0.1841253), wk = 0.0028249 k( 279) = ( 0.2096774 0.3631719 0.1841253), wk = 0.0028249 k( 280) = ( 0.2043011 0.3538599 0.1841253), wk = 0.0028249 k( 281) = ( 0.1989247 0.3445477 0.1841253), wk = 0.0028249 k( 282) = ( 0.1935484 0.3352356 0.1841253), wk = 0.0028249 k( 283) = ( 0.1881720 0.3259235 0.1841253), wk = 0.0028249 k( 284) = ( 0.1827957 0.3166114 0.1841253), wk = 0.0028249 k( 285) = ( 0.1774194 0.3072993 0.1841253), wk = 0.0028249 k( 286) = ( 0.1720430 0.2979872 0.1841253), wk = 0.0028249 k( 287) = ( 0.1666667 0.2886751 0.1841253), wk = 0.0028249 k( 288) = ( 0.1612903 0.2793630 0.1841253), wk = 0.0028249 k( 289) = ( 0.1559140 0.2700509 0.1841253), wk = 0.0028249 k( 290) = ( 0.1505376 0.2607388 0.1841253), wk = 0.0028249 k( 291) = ( 0.1451613 0.2514267 0.1841253), wk = 0.0028249 k( 292) = ( 0.1397849 0.2421146 0.1841253), wk = 0.0028249 k( 293) = ( 0.1344086 0.2328025 0.1841253), wk = 0.0028249 k( 294) = ( 0.1290323 0.2234904 0.1841253), wk = 0.0028249 k( 295) = ( 0.1236559 0.2141783 0.1841253), wk = 0.0028249 k( 296) = ( 0.1182796 0.2048662 0.1841253), wk = 0.0028249 k( 297) = ( 0.1129032 0.1955541 0.1841253), wk = 0.0028249 k( 298) = ( 0.1075269 0.1862420 0.1841253), wk = 0.0028249 k( 299) = ( 0.1021505 0.1769299 0.1841253), wk = 0.0028249 k( 300) = ( 0.0967742 0.1676178 0.1841253), wk = 0.0028249 k( 301) = ( 0.0913979 0.1583057 0.1841253), wk = 0.0028249 k( 302) = ( 0.0860215 0.1489936 0.1841253), wk = 0.0028249 k( 303) = ( 0.0806452 0.1396815 0.1841253), wk = 0.0028249 k( 304) = ( 0.0752688 0.1303694 0.1841253), wk = 0.0028249 k( 305) = ( 0.0698925 0.1210573 0.1841253), wk = 0.0028249 k( 306) = ( 0.0645161 0.1117452 0.1841253), wk = 0.0028249 k( 307) = ( 0.0591398 0.1024331 0.1841253), wk = 0.0028249 k( 308) = ( 0.0537634 0.0931210 0.1841253), wk = 0.0028249 k( 309) = ( 0.0483871 0.0838089 0.1841253), wk = 0.0028249 k( 310) = ( 0.0430108 0.0744968 0.1841253), wk = 0.0028249 k( 311) = ( 0.0376344 0.0651847 0.1841253), wk = 0.0028249 k( 312) = ( 0.0322581 0.0558726 0.1841253), wk = 0.0028249 k( 313) = ( 0.0268817 0.0465605 0.1841253), wk = 0.0028249 k( 314) = ( 0.0215054 0.0372484 0.1841253), wk = 0.0028249 k( 315) = ( 0.0161290 0.0279363 0.1841253), wk = 0.0028249 k( 316) = ( 0.0107527 0.0186242 0.1841253), wk = 0.0028249 k( 317) = ( 0.0053763 0.0093121 0.1841253), wk = 0.0028249 k( 318) = ( 0.0000000 0.0000000 0.1841253), wk = 0.0028249 k( 319) = ( 0.5000000 0.2886751 0.1841253), wk = 0.0028249 k( 320) = ( 0.5000000 0.2886751 0.1732944), wk = 0.0028249 k( 321) = ( 0.5000000 0.2886751 0.1624635), wk = 0.0028249 k( 322) = ( 0.5000000 0.2886751 0.1516326), wk = 0.0028249 k( 323) = ( 0.5000000 0.2886751 0.1408017), wk = 0.0028249 k( 324) = ( 0.5000000 0.2886751 0.1299708), wk = 0.0028249 k( 325) = ( 0.5000000 0.2886751 0.1191399), wk = 0.0028249 k( 326) = ( 0.5000000 0.2886751 0.1083090), wk = 0.0028249 k( 327) = ( 0.5000000 0.2886751 0.0974781), wk = 0.0028249 k( 328) = ( 0.5000000 0.2886751 0.0866472), wk = 0.0028249 k( 329) = ( 0.5000000 0.2886751 0.0758163), wk = 0.0028249 k( 330) = ( 0.5000000 0.2886751 0.0649854), wk = 0.0028249 k( 331) = ( 0.5000000 0.2886751 0.0541545), wk = 0.0028249 k( 332) = ( 0.5000000 0.2886751 0.0433236), wk = 0.0028249 k( 333) = ( 0.5000000 0.2886751 0.0324927), wk = 0.0028249 k( 334) = ( 0.5000000 0.2886751 0.0216618), wk = 0.0028249 k( 335) = ( 0.5000000 0.2886751 0.0108309), wk = 0.0028249 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028249 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028249 k( 338) = ( 0.3333333 0.5773503 0.0108309), wk = 0.0028249 k( 339) = ( 0.3333333 0.5773503 0.0216618), wk = 0.0028249 k( 340) = ( 0.3333333 0.5773503 0.0324927), wk = 0.0028249 k( 341) = ( 0.3333333 0.5773503 0.0433236), wk = 0.0028249 k( 342) = ( 0.3333333 0.5773503 0.0541545), wk = 0.0028249 k( 343) = ( 0.3333333 0.5773503 0.0649854), wk = 0.0028249 k( 344) = ( 0.3333333 0.5773503 0.0758163), wk = 0.0028249 k( 345) = ( 0.3333333 0.5773503 0.0866472), wk = 0.0028249 k( 346) = ( 0.3333333 0.5773503 0.0974781), wk = 0.0028249 k( 347) = ( 0.3333333 0.5773503 0.1083090), wk = 0.0028249 k( 348) = ( 0.3333333 0.5773503 0.1191399), wk = 0.0028249 k( 349) = ( 0.3333333 0.5773503 0.1299708), wk = 0.0028249 k( 350) = ( 0.3333333 0.5773503 0.1408017), wk = 0.0028249 k( 351) = ( 0.3333333 0.5773503 0.1516326), wk = 0.0028249 k( 352) = ( 0.3333333 0.5773503 0.1624635), wk = 0.0028249 k( 353) = ( 0.3333333 0.5773503 0.1732944), wk = 0.0028249 k( 354) = ( 0.3333333 0.5773503 0.1841253), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0092593 0.0000000 0.0000000), wk = 0.0028249 k( 3) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0028249 k( 4) = ( 0.0277778 0.0000000 0.0000000), wk = 0.0028249 k( 5) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0028249 k( 6) = ( 0.0462963 0.0000000 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0028249 k( 8) = ( 0.0648148 0.0000000 0.0000000), wk = 0.0028249 k( 9) = ( 0.0740741 0.0000000 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0028249 k( 11) = ( 0.0925926 0.0000000 0.0000000), wk = 0.0028249 k( 12) = ( 0.1018518 -0.0000000 0.0000000), wk = 0.0028249 k( 13) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0028249 k( 14) = ( 0.1203704 -0.0000000 0.0000000), wk = 0.0028249 k( 15) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0028249 k( 16) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0028249 k( 17) = ( 0.1481482 0.0000000 0.0000000), wk = 0.0028249 k( 18) = ( 0.1574074 0.0000000 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1759259 0.0000000 0.0000000), wk = 0.0028249 k( 21) = ( 0.1851852 0.0000000 0.0000000), wk = 0.0028249 k( 22) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0028249 k( 23) = ( 0.2037037 -0.0000000 0.0000000), wk = 0.0028249 k( 24) = ( 0.2129630 -0.0000000 0.0000000), wk = 0.0028249 k( 25) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0028249 k( 26) = ( 0.2314815 -0.0000000 0.0000000), wk = 0.0028249 k( 27) = ( 0.2407407 -0.0000000 0.0000000), wk = 0.0028249 k( 28) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028249 k( 29) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0028249 k( 30) = ( 0.2685185 0.0000000 0.0000000), wk = 0.0028249 k( 31) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0028249 k( 32) = ( 0.2870370 -0.0000000 0.0000000), wk = 0.0028249 k( 33) = ( 0.2962963 0.0000000 0.0000000), wk = 0.0028249 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3240741 0.0000000 0.0000000), wk = 0.0028249 k( 37) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0028249 k( 38) = ( 0.3425926 0.0000000 0.0000000), wk = 0.0028249 k( 39) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0028249 k( 40) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0028249 k( 41) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0028249 k( 42) = ( 0.3796296 -0.0000000 -0.0000000), wk = 0.0028249 k( 43) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0028249 k( 44) = ( 0.3981481 -0.0000000 0.0000000), wk = 0.0028249 k( 45) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0028249 k( 46) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0028249 k( 47) = ( 0.4259259 -0.0000000 0.0000000), wk = 0.0028249 k( 48) = ( 0.4351852 -0.0000000 0.0000000), wk = 0.0028249 k( 49) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0028249 k( 50) = ( 0.4537037 -0.0000000 0.0000000), wk = 0.0028249 k( 51) = ( 0.4629630 -0.0000000 0.0000000), wk = 0.0028249 k( 52) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0028249 k( 53) = ( 0.4814815 -0.0000000 0.0000000), wk = 0.0028249 k( 54) = ( 0.4907407 0.0000000 0.0000000), wk = 0.0028249 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028249 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028249 k( 57) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0028249 k( 58) = ( 0.4892473 0.0215054 0.0000000), wk = 0.0028249 k( 59) = ( 0.4838710 0.0322581 0.0000000), wk = 0.0028249 k( 60) = ( 0.4784946 0.0430107 0.0000000), wk = 0.0028249 k( 61) = ( 0.4731183 0.0537634 -0.0000000), wk = 0.0028249 k( 62) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0028249 k( 63) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0028249 k( 64) = ( 0.4569893 0.0860215 0.0000000), wk = 0.0028249 k( 65) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0028249 k( 66) = ( 0.4462366 0.1075269 0.0000000), wk = 0.0028249 k( 67) = ( 0.4408602 0.1182796 -0.0000000), wk = 0.0028249 k( 68) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0028249 k( 69) = ( 0.4301075 0.1397849 0.0000000), wk = 0.0028249 k( 70) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0028249 k( 71) = ( 0.4193548 0.1612903 0.0000000), wk = 0.0028249 k( 72) = ( 0.4139785 0.1720430 -0.0000000), wk = 0.0028249 k( 73) = ( 0.4086021 0.1827957 0.0000000), wk = 0.0028249 k( 74) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0028249 k( 75) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0028249 k( 76) = ( 0.3924731 0.2150538 -0.0000000), wk = 0.0028249 k( 77) = ( 0.3870968 0.2258064 -0.0000000), wk = 0.0028249 k( 78) = ( 0.3817204 0.2365591 -0.0000000), wk = 0.0028249 k( 79) = ( 0.3763441 0.2473118 -0.0000000), wk = 0.0028249 k( 80) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0028249 k( 81) = ( 0.3655914 0.2688172 0.0000000), wk = 0.0028249 k( 82) = ( 0.3602150 0.2795699 0.0000000), wk = 0.0028249 k( 83) = ( 0.3548387 0.2903226 0.0000000), wk = 0.0028249 k( 84) = ( 0.3494624 0.3010753 0.0000000), wk = 0.0028249 k( 85) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0028249 k( 86) = ( 0.3387097 0.3225807 0.0000000), wk = 0.0028249 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028249 k( 88) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028249 k( 89) = ( 0.3279570 0.3279570 -0.0000000), wk = 0.0028249 k( 90) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0028249 k( 91) = ( 0.3172043 0.3172043 0.0000000), wk = 0.0028249 k( 92) = ( 0.3118280 0.3118280 0.0000000), wk = 0.0028249 k( 93) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0028249 k( 94) = ( 0.3010753 0.3010753 0.0000000), wk = 0.0028249 k( 95) = ( 0.2956989 0.2956989 -0.0000000), wk = 0.0028249 k( 96) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0028249 k( 97) = ( 0.2849462 0.2849462 0.0000000), wk = 0.0028249 k( 98) = ( 0.2795699 0.2795699 -0.0000000), wk = 0.0028249 k( 99) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0028249 k( 100) = ( 0.2688172 0.2688172 0.0000000), wk = 0.0028249 k( 101) = ( 0.2634409 0.2634409 -0.0000000), wk = 0.0028249 k( 102) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0028249 k( 103) = ( 0.2526882 0.2526882 0.0000000), wk = 0.0028249 k( 104) = ( 0.2473118 0.2473118 0.0000000), wk = 0.0028249 k( 105) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0028249 k( 106) = ( 0.2365591 0.2365591 0.0000000), wk = 0.0028249 k( 107) = ( 0.2311828 0.2311828 -0.0000000), wk = 0.0028249 k( 108) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0028249 k( 109) = ( 0.2204301 0.2204301 0.0000000), wk = 0.0028249 k( 110) = ( 0.2150538 0.2150538 -0.0000000), wk = 0.0028249 k( 111) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0028249 k( 112) = ( 0.2043011 0.2043011 -0.0000000), wk = 0.0028249 k( 113) = ( 0.1989247 0.1989247 0.0000000), wk = 0.0028249 k( 114) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0028249 k( 115) = ( 0.1881720 0.1881720 0.0000000), wk = 0.0028249 k( 116) = ( 0.1827957 0.1827957 0.0000000), wk = 0.0028249 k( 117) = ( 0.1774194 0.1774194 -0.0000000), wk = 0.0028249 k( 118) = ( 0.1720430 0.1720430 -0.0000000), wk = 0.0028249 k( 119) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028249 k( 120) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0028249 k( 121) = ( 0.1559140 0.1559140 0.0000000), wk = 0.0028249 k( 122) = ( 0.1505376 0.1505376 0.0000000), wk = 0.0028249 k( 123) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0028249 k( 124) = ( 0.1397849 0.1397849 0.0000000), wk = 0.0028249 k( 125) = ( 0.1344086 0.1344086 0.0000000), wk = 0.0028249 k( 126) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0028249 k( 127) = ( 0.1236559 0.1236559 0.0000000), wk = 0.0028249 k( 128) = ( 0.1182796 0.1182796 0.0000000), wk = 0.0028249 k( 129) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0028249 k( 130) = ( 0.1075269 0.1075269 -0.0000000), wk = 0.0028249 k( 131) = ( 0.1021505 0.1021505 -0.0000000), wk = 0.0028249 k( 132) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0028249 k( 133) = ( 0.0913979 0.0913979 0.0000000), wk = 0.0028249 k( 134) = ( 0.0860215 0.0860215 0.0000000), wk = 0.0028249 k( 135) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0028249 k( 136) = ( 0.0752688 0.0752688 0.0000000), wk = 0.0028249 k( 137) = ( 0.0698925 0.0698925 0.0000000), wk = 0.0028249 k( 138) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0028249 k( 139) = ( 0.0591398 0.0591398 0.0000000), wk = 0.0028249 k( 140) = ( 0.0537634 0.0537634 -0.0000000), wk = 0.0028249 k( 141) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0028249 k( 142) = ( 0.0430108 0.0430107 0.0000000), wk = 0.0028249 k( 143) = ( 0.0376344 0.0376344 0.0000000), wk = 0.0028249 k( 144) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0028249 k( 145) = ( 0.0268817 0.0268817 -0.0000000), wk = 0.0028249 k( 146) = ( 0.0215054 0.0215054 0.0000000), wk = 0.0028249 k( 147) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0028249 k( 148) = ( 0.0107527 0.0107527 0.0000000), wk = 0.0028249 k( 149) = ( 0.0053763 0.0053763 -0.0000000), wk = 0.0028249 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.2941176), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 170) = ( 0.0092593 0.0000000 0.5000000), wk = 0.0028249 k( 171) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0028249 k( 172) = ( 0.0277778 0.0000000 0.5000000), wk = 0.0028249 k( 173) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0028249 k( 174) = ( 0.0462963 0.0000000 0.5000000), wk = 0.0028249 k( 175) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0028249 k( 176) = ( 0.0648148 0.0000000 0.5000000), wk = 0.0028249 k( 177) = ( 0.0740741 0.0000000 0.5000000), wk = 0.0028249 k( 178) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0028249 k( 179) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0028249 k( 180) = ( 0.1018518 -0.0000000 0.5000000), wk = 0.0028249 k( 181) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0028249 k( 182) = ( 0.1203704 -0.0000000 0.5000000), wk = 0.0028249 k( 183) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0028249 k( 184) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0028249 k( 185) = ( 0.1481482 0.0000000 0.5000000), wk = 0.0028249 k( 186) = ( 0.1574074 0.0000000 0.5000000), wk = 0.0028249 k( 187) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0028249 k( 188) = ( 0.1759259 0.0000000 0.5000000), wk = 0.0028249 k( 189) = ( 0.1851852 0.0000000 0.5000000), wk = 0.0028249 k( 190) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0028249 k( 191) = ( 0.2037037 -0.0000000 0.5000000), wk = 0.0028249 k( 192) = ( 0.2129630 -0.0000000 0.5000000), wk = 0.0028249 k( 193) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0028249 k( 194) = ( 0.2314815 -0.0000000 0.5000000), wk = 0.0028249 k( 195) = ( 0.2407407 -0.0000000 0.5000000), wk = 0.0028249 k( 196) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028249 k( 197) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0028249 k( 198) = ( 0.2685185 0.0000000 0.5000000), wk = 0.0028249 k( 199) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0028249 k( 200) = ( 0.2870370 -0.0000000 0.5000000), wk = 0.0028249 k( 201) = ( 0.2962963 0.0000000 0.5000000), wk = 0.0028249 k( 202) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0028249 k( 203) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0028249 k( 204) = ( 0.3240741 0.0000000 0.5000000), wk = 0.0028249 k( 205) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0028249 k( 206) = ( 0.3425926 0.0000000 0.5000000), wk = 0.0028249 k( 207) = ( 0.3518519 0.0000000 0.5000000), wk = 0.0028249 k( 208) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0028249 k( 209) = ( 0.3703704 0.0000000 0.5000000), wk = 0.0028249 k( 210) = ( 0.3796296 -0.0000000 0.5000000), wk = 0.0028249 k( 211) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0028249 k( 212) = ( 0.3981481 -0.0000000 0.5000000), wk = 0.0028249 k( 213) = ( 0.4074074 -0.0000000 0.5000000), wk = 0.0028249 k( 214) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0028249 k( 215) = ( 0.4259259 -0.0000000 0.5000000), wk = 0.0028249 k( 216) = ( 0.4351852 -0.0000000 0.5000000), wk = 0.0028249 k( 217) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0028249 k( 218) = ( 0.4537037 -0.0000000 0.5000000), wk = 0.0028249 k( 219) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0028249 k( 220) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0028249 k( 221) = ( 0.4814815 -0.0000000 0.5000000), wk = 0.0028249 k( 222) = ( 0.4907407 0.0000000 0.5000000), wk = 0.0028249 k( 223) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 224) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 225) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0028249 k( 226) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0028249 k( 227) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0028249 k( 228) = ( 0.4784946 0.0430107 0.5000000), wk = 0.0028249 k( 229) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0028249 k( 230) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0028249 k( 231) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0028249 k( 232) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0028249 k( 233) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0028249 k( 234) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0028249 k( 235) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0028249 k( 236) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0028249 k( 237) = ( 0.4301075 0.1397849 0.5000000), wk = 0.0028249 k( 238) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0028249 k( 239) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0028249 k( 240) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0028249 k( 241) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0028249 k( 242) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0028249 k( 243) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0028249 k( 244) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0028249 k( 245) = ( 0.3870968 0.2258064 0.5000000), wk = 0.0028249 k( 246) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0028249 k( 247) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0028249 k( 248) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0028249 k( 249) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0028249 k( 250) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0028249 k( 251) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0028249 k( 252) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0028249 k( 253) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0028249 k( 254) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0028249 k( 255) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028249 k( 256) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028249 k( 257) = ( 0.3279570 0.3279570 0.5000000), wk = 0.0028249 k( 258) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0028249 k( 259) = ( 0.3172043 0.3172043 0.5000000), wk = 0.0028249 k( 260) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0028249 k( 261) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0028249 k( 262) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0028249 k( 263) = ( 0.2956989 0.2956989 0.5000000), wk = 0.0028249 k( 264) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0028249 k( 265) = ( 0.2849462 0.2849462 0.5000000), wk = 0.0028249 k( 266) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0028249 k( 267) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0028249 k( 268) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0028249 k( 269) = ( 0.2634409 0.2634409 0.5000000), wk = 0.0028249 k( 270) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0028249 k( 271) = ( 0.2526882 0.2526882 0.5000000), wk = 0.0028249 k( 272) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0028249 k( 273) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0028249 k( 274) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0028249 k( 275) = ( 0.2311828 0.2311828 0.5000000), wk = 0.0028249 k( 276) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0028249 k( 277) = ( 0.2204301 0.2204301 0.5000000), wk = 0.0028249 k( 278) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0028249 k( 279) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0028249 k( 280) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0028249 k( 281) = ( 0.1989247 0.1989247 0.5000000), wk = 0.0028249 k( 282) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0028249 k( 283) = ( 0.1881720 0.1881720 0.5000000), wk = 0.0028249 k( 284) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0028249 k( 285) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0028249 k( 286) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0028249 k( 287) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028249 k( 288) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0028249 k( 289) = ( 0.1559140 0.1559140 0.5000000), wk = 0.0028249 k( 290) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0028249 k( 291) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0028249 k( 292) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0028249 k( 293) = ( 0.1344086 0.1344086 0.5000000), wk = 0.0028249 k( 294) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0028249 k( 295) = ( 0.1236559 0.1236559 0.5000000), wk = 0.0028249 k( 296) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0028249 k( 297) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0028249 k( 298) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0028249 k( 299) = ( 0.1021505 0.1021505 0.5000000), wk = 0.0028249 k( 300) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0028249 k( 301) = ( 0.0913979 0.0913979 0.5000000), wk = 0.0028249 k( 302) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0028249 k( 303) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0028249 k( 304) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0028249 k( 305) = ( 0.0698925 0.0698925 0.5000000), wk = 0.0028249 k( 306) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0028249 k( 307) = ( 0.0591398 0.0591398 0.5000000), wk = 0.0028249 k( 308) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0028249 k( 309) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0028249 k( 310) = ( 0.0430108 0.0430107 0.5000000), wk = 0.0028249 k( 311) = ( 0.0376344 0.0376344 0.5000000), wk = 0.0028249 k( 312) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0028249 k( 313) = ( 0.0268817 0.0268817 0.5000000), wk = 0.0028249 k( 314) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0028249 k( 315) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0028249 k( 316) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0028249 k( 317) = ( 0.0053763 0.0053763 0.5000000), wk = 0.0028249 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 319) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 320) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0028249 k( 321) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0028249 k( 322) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0028249 k( 323) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0028249 k( 324) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0028249 k( 325) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0028249 k( 326) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0028249 k( 327) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0028249 k( 328) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0028249 k( 329) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0028249 k( 330) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0028249 k( 331) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0028249 k( 332) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0028249 k( 333) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0028249 k( 334) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0028249 k( 335) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0028249 k( 336) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028249 k( 337) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028249 k( 338) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0028249 k( 339) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0028249 k( 340) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0028249 k( 341) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0028249 k( 342) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0028249 k( 343) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0028249 k( 344) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0028249 k( 345) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0028249 k( 346) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0028249 k( 347) = ( 0.3333333 0.3333333 0.2941176), wk = 0.0028249 k( 348) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0028249 k( 349) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0028249 k( 350) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0028249 k( 351) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0028249 k( 352) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0028249 k( 353) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0028249 k( 354) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028249 Dense grid: 46387 G-vectors FFT dimensions: ( 36, 36, 96) Smooth grid: 28247 G-vectors FFT dimensions: ( 30, 30, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 158, 46) NL pseudopotentials 0.10 Mb ( 79, 82) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 972) G-vector shells 0.00 Mb ( 419) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 158, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.12 Mb ( 82, 2, 46) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NbInSe2.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.1 secs Computing kpt #: 2 total cpu time spent up to now is 44.3 secs Computing kpt #: 3 total cpu time spent up to now is 45.4 secs Computing kpt #: 4 total cpu time spent up to now is 46.5 secs Computing kpt #: 5 total cpu time spent up to now is 47.5 secs Computing kpt #: 6 total cpu time spent up to now is 48.6 secs Computing kpt #: 7 total cpu time spent up to now is 49.6 secs Computing kpt #: 8 total cpu time spent up to now is 50.6 secs Computing kpt #: 9 total cpu time spent up to now is 51.7 secs Computing kpt #: 10 total cpu time spent up to now is 52.6 secs Computing kpt #: 11 total cpu time spent up to now is 53.6 secs Computing kpt #: 12 total cpu time spent up to now is 54.5 secs Computing kpt #: 13 total cpu time spent up to now is 55.5 secs Computing kpt #: 14 total cpu time spent up to now is 56.5 secs Computing kpt #: 15 total cpu time spent up to now is 57.5 secs Computing kpt #: 16 total cpu time spent up to now is 58.5 secs Computing kpt #: 17 total cpu time spent up to now is 59.5 secs Computing kpt #: 18 total cpu time spent up to now is 60.4 secs Computing kpt #: 19 total cpu time spent up to now is 61.4 secs Computing kpt #: 20 total cpu time spent up to now is 62.4 secs Computing kpt #: 21 total cpu time spent up to now is 63.4 secs Computing kpt #: 22 total cpu time spent up to now is 64.3 secs Computing kpt #: 23 total cpu time spent up to now is 65.3 secs Computing kpt #: 24 total cpu time spent up to now is 66.3 secs Computing kpt #: 25 total cpu time spent up to now is 67.2 secs Computing kpt #: 26 total cpu time spent up to now is 68.4 secs Computing kpt #: 27 total cpu time spent up to now is 69.5 secs Computing kpt #: 28 total cpu time spent up to now is 70.6 secs Computing kpt #: 29 total cpu time spent up to now is 71.7 secs Computing kpt #: 30 total cpu time spent up to now is 72.8 secs Computing kpt #: 31 total cpu time spent up to now is 73.7 secs Computing kpt #: 32 total cpu time spent up to now is 74.7 secs Computing kpt #: 33 total cpu time spent up to now is 75.7 secs Computing kpt #: 34 total cpu time spent up to now is 76.8 secs Computing kpt #: 35 total cpu time spent up to now is 77.8 secs Computing kpt #: 36 total cpu time spent up to now is 78.9 secs Computing kpt #: 37 total cpu time spent up to now is 80.0 secs Computing kpt #: 38 total cpu time spent up to now is 81.2 secs Computing kpt #: 39 total cpu time spent up to now is 82.2 secs Computing kpt #: 40 total cpu time spent up to now is 83.1 secs Computing kpt #: 41 total cpu time spent up to now is 84.1 secs Computing kpt #: 42 total cpu time spent up to now is 85.2 secs Computing kpt #: 43 total cpu time spent up to now is 86.2 secs Computing kpt #: 44 total cpu time spent up to now is 87.1 secs Computing kpt #: 45 total cpu time spent up to now is 88.0 secs Computing kpt #: 46 total cpu time spent up to now is 88.9 secs Computing kpt #: 47 total cpu time spent up to now is 89.9 secs Computing kpt #: 48 total cpu time spent up to now is 90.8 secs Computing kpt #: 49 total cpu time spent up to now is 91.8 secs Computing kpt #: 50 total cpu time spent up to now is 92.8 secs Computing kpt #: 51 total cpu time spent up to now is 93.7 secs Computing kpt #: 52 total cpu time spent up to now is 94.6 secs Computing kpt #: 53 total cpu time spent up to now is 95.6 secs Computing kpt #: 54 total cpu time spent up to now is 96.5 secs Computing kpt #: 55 total cpu time spent up to now is 97.4 secs Computing kpt #: 56 total cpu time spent up to now is 98.4 secs Computing kpt #: 57 total cpu time spent up to now is 99.3 secs Computing kpt #: 58 total cpu time spent up to now is 100.3 secs Computing kpt #: 59 total cpu time spent up to now is 101.3 secs Computing kpt #: 60 total cpu time spent up to now is 102.2 secs Computing kpt #: 61 total cpu time spent up to now is 103.2 secs Computing kpt #: 62 total cpu time spent up to now is 104.2 secs Computing kpt #: 63 total cpu time spent up to now is 105.1 secs Computing kpt #: 64 total cpu time spent up to now is 106.1 secs Computing kpt #: 65 total cpu time spent up to now is 107.2 secs Computing kpt #: 66 total cpu time spent up to now is 108.3 secs Computing kpt #: 67 total cpu time spent up to now is 109.6 secs Computing kpt #: 68 total cpu time spent up to now is 110.9 secs Computing kpt #: 69 total cpu time spent up to now is 112.1 secs Computing kpt #: 70 total cpu time spent up to now is 113.4 secs Computing kpt #: 71 total cpu time spent up to now is 114.5 secs Computing kpt #: 72 total cpu time spent up to now is 115.9 secs Computing kpt #: 73 total cpu time spent up to now is 117.1 secs Computing kpt #: 74 total cpu time spent up to now is 118.5 secs Computing kpt #: 75 total cpu time spent up to now is 120.2 secs Computing kpt #: 76 total cpu time spent up to now is 121.9 secs Computing kpt #: 77 total cpu time spent up to now is 123.7 secs Computing kpt #: 78 total cpu time spent up to now is 125.1 secs Computing kpt #: 79 total cpu time spent up to now is 126.4 secs Computing kpt #: 80 total cpu time spent up to now is 127.6 secs Computing kpt #: 81 total cpu time spent up to now is 128.7 secs Computing kpt #: 82 total cpu time spent up to now is 129.8 secs Computing kpt #: 83 total cpu time spent up to now is 130.9 secs Computing kpt #: 84 total cpu time spent up to now is 132.0 secs Computing kpt #: 85 total cpu time spent up to now is 133.2 secs Computing kpt #: 86 total cpu time spent up to now is 134.3 secs Computing kpt #: 87 total cpu time spent up to now is 135.5 secs Computing kpt #: 88 total cpu time spent up to now is 136.6 secs Computing kpt #: 89 total cpu time spent up to now is 137.7 secs Computing kpt #: 90 total cpu time spent up to now is 138.9 secs Computing kpt #: 91 total cpu time spent up to now is 140.1 secs Computing kpt #: 92 total cpu time spent up to now is 141.2 secs Computing kpt #: 93 total cpu time spent up to now is 142.3 secs Computing kpt #: 94 total cpu time spent up to now is 143.4 secs Computing kpt #: 95 total cpu time spent up to now is 144.5 secs Computing kpt #: 96 total cpu time spent up to now is 145.6 secs Computing kpt #: 97 total cpu time spent up to now is 146.7 secs Computing kpt #: 98 total cpu time spent up to now is 147.8 secs Computing kpt #: 99 total cpu time spent up to now is 149.0 secs Computing kpt #: 100 total cpu time spent up to now is 150.0 secs Computing kpt #: 101 total cpu time spent up to now is 151.0 secs Computing kpt #: 102 total cpu time spent up to now is 152.2 secs Computing kpt #: 103 total cpu time spent up to now is 153.3 secs Computing kpt #: 104 total cpu time spent up to now is 154.5 secs Computing kpt #: 105 total cpu time spent up to now is 155.6 secs Computing kpt #: 106 total cpu time spent up to now is 156.7 secs Computing kpt #: 107 total cpu time spent up to now is 158.0 secs Computing kpt #: 108 total cpu time spent up to now is 159.2 secs Computing kpt #: 109 total cpu time spent up to now is 160.3 secs Computing kpt #: 110 total cpu time spent up to now is 161.4 secs Computing kpt #: 111 total cpu time spent up to now is 162.5 secs Computing kpt #: 112 total cpu time spent up to now is 163.6 secs Computing kpt #: 113 total cpu time spent up to now is 164.7 secs Computing kpt #: 114 total cpu time spent up to now is 165.7 secs Computing kpt #: 115 total cpu time spent up to now is 166.7 secs Computing kpt #: 116 total cpu time spent up to now is 167.7 secs Computing kpt #: 117 total cpu time spent up to now is 168.8 secs Computing kpt #: 118 total cpu time spent up to now is 169.9 secs Computing kpt #: 119 total cpu time spent up to now is 171.0 secs Computing kpt #: 120 total cpu time spent up to now is 172.1 secs Computing kpt #: 121 total cpu time spent up to now is 173.2 secs Computing kpt #: 122 total cpu time spent up to now is 174.3 secs Computing kpt #: 123 total cpu time spent up to now is 175.3 secs Computing kpt #: 124 total cpu time spent up to now is 176.3 secs Computing kpt #: 125 total cpu time spent up to now is 177.3 secs Computing kpt #: 126 total cpu time spent up to now is 178.3 secs Computing kpt #: 127 total cpu time spent up to now is 179.4 secs Computing kpt #: 128 total cpu time spent up to now is 180.4 secs Computing kpt #: 129 total cpu time spent up to now is 181.5 secs Computing kpt #: 130 total cpu time spent up to now is 182.6 secs Computing kpt #: 131 total cpu time spent up to now is 183.7 secs Computing kpt #: 132 total cpu time spent up to now is 184.7 secs Computing kpt #: 133 total cpu time spent up to now is 185.7 secs Computing kpt #: 134 total cpu time spent up to now is 186.8 secs Computing kpt #: 135 total cpu time spent up to now is 188.0 secs Computing kpt #: 136 total cpu time spent up to now is 189.1 secs Computing kpt #: 137 total cpu time spent up to now is 190.1 secs Computing kpt #: 138 total cpu time spent up to now is 191.2 secs Computing kpt #: 139 total cpu time spent up to now is 192.4 secs Computing kpt #: 140 total cpu time spent up to now is 193.5 secs Computing kpt #: 141 total cpu time spent up to now is 194.5 secs Computing kpt #: 142 total cpu time spent up to now is 195.9 secs Computing kpt #: 143 total cpu time spent up to now is 197.0 secs Computing kpt #: 144 total cpu time spent up to now is 198.0 secs Computing kpt #: 145 total cpu time spent up to now is 199.2 secs Computing kpt #: 146 total cpu time spent up to now is 200.5 secs Computing kpt #: 147 total cpu time spent up to now is 201.6 secs Computing kpt #: 148 total cpu time spent up to now is 202.7 secs Computing kpt #: 149 total cpu time spent up to now is 203.8 secs Computing kpt #: 150 total cpu time spent up to now is 204.9 secs Computing kpt #: 151 total cpu time spent up to now is 206.3 secs Computing kpt #: 152 total cpu time spent up to now is 207.4 secs Computing kpt #: 153 total cpu time spent up to now is 208.5 secs Computing kpt #: 154 total cpu time spent up to now is 209.5 secs Computing kpt #: 155 total cpu time spent up to now is 210.6 secs Computing kpt #: 156 total cpu time spent up to now is 211.8 secs Computing kpt #: 157 total cpu time spent up to now is 212.9 secs Computing kpt #: 158 total cpu time spent up to now is 214.1 secs Computing kpt #: 159 total cpu time spent up to now is 215.2 secs Computing kpt #: 160 total cpu time spent up to now is 216.3 secs Computing kpt #: 161 total cpu time spent up to now is 217.4 secs Computing kpt #: 162 total cpu time spent up to now is 218.7 secs Computing kpt #: 163 total cpu time spent up to now is 220.0 secs Computing kpt #: 164 total cpu time spent up to now is 221.0 secs Computing kpt #: 165 total cpu time spent up to now is 222.1 secs Computing kpt #: 166 total cpu time spent up to now is 223.3 secs Computing kpt #: 167 total cpu time spent up to now is 224.5 secs Computing kpt #: 168 total cpu time spent up to now is 225.6 secs Computing kpt #: 169 total cpu time spent up to now is 226.7 secs Computing kpt #: 170 total cpu time spent up to now is 227.7 secs Computing kpt #: 171 total cpu time spent up to now is 228.8 secs Computing kpt #: 172 total cpu time spent up to now is 229.9 secs Computing kpt #: 173 total cpu time spent up to now is 231.1 secs Computing kpt #: 174 total cpu time spent up to now is 232.1 secs Computing kpt #: 175 total cpu time spent up to now is 233.0 secs Computing kpt #: 176 total cpu time spent up to now is 234.0 secs Computing kpt #: 177 total cpu time spent up to now is 235.0 secs Computing kpt #: 178 total cpu time spent up to now is 235.9 secs Computing kpt #: 179 total cpu time spent up to now is 236.9 secs Computing kpt #: 180 total cpu time spent up to now is 238.0 secs Computing kpt #: 181 total cpu time spent up to now is 238.9 secs Computing kpt #: 182 total cpu time spent up to now is 239.8 secs Computing kpt #: 183 total cpu time spent up to now is 240.9 secs Computing kpt #: 184 total cpu time spent up to now is 242.0 secs Computing kpt #: 185 total cpu time spent up to now is 242.9 secs Computing kpt #: 186 total cpu time spent up to now is 243.9 secs Computing kpt #: 187 total cpu time spent up to now is 244.8 secs Computing kpt #: 188 total cpu time spent up to now is 245.8 secs Computing kpt #: 189 total cpu time spent up to now is 246.7 secs Computing kpt #: 190 total cpu time spent up to now is 247.7 secs Computing kpt #: 191 total cpu time spent up to now is 248.7 secs Computing kpt #: 192 total cpu time spent up to now is 250.0 secs Computing kpt #: 193 total cpu time spent up to now is 251.1 secs Computing kpt #: 194 total cpu time spent up to now is 252.1 secs Computing kpt #: 195 total cpu time spent up to now is 253.2 secs Computing kpt #: 196 total cpu time spent up to now is 254.4 secs Computing kpt #: 197 total cpu time spent up to now is 255.6 secs Computing kpt #: 198 total cpu time spent up to now is 256.8 secs Computing kpt #: 199 total cpu time spent up to now is 257.9 secs Computing kpt #: 200 total cpu time spent up to now is 259.0 secs Computing kpt #: 201 total cpu time spent up to now is 260.2 secs Computing kpt #: 202 total cpu time spent up to now is 261.4 secs Computing kpt #: 203 total cpu time spent up to now is 262.5 secs Computing kpt #: 204 total cpu time spent up to now is 263.6 secs Computing kpt #: 205 total cpu time spent up to now is 264.7 secs Computing kpt #: 206 total cpu time spent up to now is 265.9 secs Computing kpt #: 207 total cpu time spent up to now is 267.2 secs Computing kpt #: 208 total cpu time spent up to now is 268.6 secs Computing kpt #: 209 total cpu time spent up to now is 269.8 secs Computing kpt #: 210 total cpu time spent up to now is 271.1 secs Computing kpt #: 211 total cpu time spent up to now is 272.5 secs Computing kpt #: 212 total cpu time spent up to now is 273.7 secs Computing kpt #: 213 total cpu time spent up to now is 274.9 secs Computing kpt #: 214 total cpu time spent up to now is 276.0 secs Computing kpt #: 215 total cpu time spent up to now is 277.1 secs Computing kpt #: 216 total cpu time spent up to now is 278.3 secs Computing kpt #: 217 total cpu time spent up to now is 279.5 secs Computing kpt #: 218 total cpu time spent up to now is 280.5 secs Computing kpt #: 219 total cpu time spent up to now is 281.6 secs Computing kpt #: 220 total cpu time spent up to now is 282.6 secs Computing kpt #: 221 total cpu time spent up to now is 283.6 secs Computing kpt #: 222 total cpu time spent up to now is 284.8 secs Computing kpt #: 223 total cpu time spent up to now is 285.8 secs Computing kpt #: 224 total cpu time spent up to now is 286.8 secs Computing kpt #: 225 total cpu time spent up to now is 287.9 secs Computing kpt #: 226 total cpu time spent up to now is 288.9 secs Computing kpt #: 227 total cpu time spent up to now is 290.1 secs Computing kpt #: 228 total cpu time spent up to now is 291.2 secs Computing kpt #: 229 total cpu time spent up to now is 292.5 secs Computing kpt #: 230 total cpu time spent up to now is 293.5 secs Computing kpt #: 231 total cpu time spent up to now is 294.7 secs Computing kpt #: 232 total cpu time spent up to now is 295.9 secs Computing kpt #: 233 total cpu time spent up to now is 297.2 secs Computing kpt #: 234 total cpu time spent up to now is 298.3 secs Computing kpt #: 235 total cpu time spent up to now is 299.5 secs Computing kpt #: 236 total cpu time spent up to now is 300.6 secs Computing kpt #: 237 total cpu time spent up to now is 301.9 secs Computing kpt #: 238 total cpu time spent up to now is 303.2 secs Computing kpt #: 239 total cpu time spent up to now is 304.4 secs Computing kpt #: 240 total cpu time spent up to now is 305.6 secs Computing kpt #: 241 total cpu time spent up to now is 306.7 secs Computing kpt #: 242 total cpu time spent up to now is 308.0 secs Computing kpt #: 243 total cpu time spent up to now is 309.1 secs Computing kpt #: 244 total cpu time spent up to now is 310.3 secs Computing kpt #: 245 total cpu time spent up to now is 311.4 secs Computing kpt #: 246 total cpu time spent up to now is 312.5 secs Computing kpt #: 247 total cpu time spent up to now is 313.8 secs Computing kpt #: 248 total cpu time spent up to now is 315.0 secs Computing kpt #: 249 total cpu time spent up to now is 316.2 secs Computing kpt #: 250 total cpu time spent up to now is 317.3 secs Computing kpt #: 251 total cpu time spent up to now is 318.4 secs Computing kpt #: 252 total cpu time spent up to now is 319.6 secs Computing kpt #: 253 total cpu time spent up to now is 320.8 secs Computing kpt #: 254 total cpu time spent up to now is 322.0 secs Computing kpt #: 255 total cpu time spent up to now is 323.1 secs Computing kpt #: 256 total cpu time spent up to now is 324.3 secs Computing kpt #: 257 total cpu time spent up to now is 325.5 secs Computing kpt #: 258 total cpu time spent up to now is 326.7 secs Computing kpt #: 259 total cpu time spent up to now is 327.9 secs Computing kpt #: 260 total cpu time spent up to now is 329.1 secs Computing kpt #: 261 total cpu time spent up to now is 330.2 secs Computing kpt #: 262 total cpu time spent up to now is 331.2 secs Computing kpt #: 263 total cpu time spent up to now is 332.3 secs Computing kpt #: 264 total cpu time spent up to now is 333.6 secs Computing kpt #: 265 total cpu time spent up to now is 334.6 secs Computing kpt #: 266 total cpu time spent up to now is 335.6 secs Computing kpt #: 267 total cpu time spent up to now is 336.6 secs Computing kpt #: 268 total cpu time spent up to now is 337.7 secs Computing kpt #: 269 total cpu time spent up to now is 339.0 secs Computing kpt #: 270 total cpu time spent up to now is 340.2 secs Computing kpt #: 271 total cpu time spent up to now is 341.2 secs Computing kpt #: 272 total cpu time spent up to now is 342.2 secs Computing kpt #: 273 total cpu time spent up to now is 343.3 secs Computing kpt #: 274 total cpu time spent up to now is 344.5 secs Computing kpt #: 275 total cpu time spent up to now is 345.5 secs Computing kpt #: 276 total cpu time spent up to now is 346.6 secs Computing kpt #: 277 total cpu time spent up to now is 347.8 secs Computing kpt #: 278 total cpu time spent up to now is 348.8 secs Computing kpt #: 279 total cpu time spent up to now is 349.9 secs Computing kpt #: 280 total cpu time spent up to now is 351.1 secs Computing kpt #: 281 total cpu time spent up to now is 352.3 secs Computing kpt #: 282 total cpu time spent up to now is 353.5 secs Computing kpt #: 283 total cpu time spent up to now is 354.6 secs Computing kpt #: 284 total cpu time spent up to now is 355.7 secs Computing kpt #: 285 total cpu time spent up to now is 357.0 secs Computing kpt #: 286 total cpu time spent up to now is 358.0 secs Computing kpt #: 287 total cpu time spent up to now is 359.1 secs Computing kpt #: 288 total cpu time spent up to now is 360.2 secs Computing kpt #: 289 total cpu time spent up to now is 361.4 secs Computing kpt #: 290 total cpu time spent up to now is 362.6 secs Computing kpt #: 291 total cpu time spent up to now is 363.7 secs Computing kpt #: 292 total cpu time spent up to now is 364.7 secs Computing kpt #: 293 total cpu time spent up to now is 365.8 secs Computing kpt #: 294 total cpu time spent up to now is 366.9 secs Computing kpt #: 295 total cpu time spent up to now is 368.0 secs Computing kpt #: 296 total cpu time spent up to now is 369.1 secs Computing kpt #: 297 total cpu time spent up to now is 370.2 secs Computing kpt #: 298 total cpu time spent up to now is 371.2 secs Computing kpt #: 299 total cpu time spent up to now is 372.1 secs Computing kpt #: 300 total cpu time spent up to now is 373.5 secs Computing kpt #: 301 total cpu time spent up to now is 374.7 secs Computing kpt #: 302 total cpu time spent up to now is 375.7 secs Computing kpt #: 303 total cpu time spent up to now is 376.6 secs Computing kpt #: 304 total cpu time spent up to now is 377.6 secs Computing kpt #: 305 total cpu time spent up to now is 378.6 secs Computing kpt #: 306 total cpu time spent up to now is 379.8 secs Computing kpt #: 307 total cpu time spent up to now is 381.1 secs Computing kpt #: 308 total cpu time spent up to now is 382.1 secs Computing kpt #: 309 total cpu time spent up to now is 383.1 secs Computing kpt #: 310 total cpu time spent up to now is 384.0 secs Computing kpt #: 311 total cpu time spent up to now is 385.0 secs Computing kpt #: 312 total cpu time spent up to now is 386.1 secs Computing kpt #: 313 total cpu time spent up to now is 387.2 secs Computing kpt #: 314 total cpu time spent up to now is 388.3 secs Computing kpt #: 315 total cpu time spent up to now is 389.4 secs Computing kpt #: 316 total cpu time spent up to now is 390.4 secs Computing kpt #: 317 total cpu time spent up to now is 391.6 secs Computing kpt #: 318 total cpu time spent up to now is 392.7 secs Computing kpt #: 319 total cpu time spent up to now is 393.7 secs Computing kpt #: 320 total cpu time spent up to now is 394.7 secs Computing kpt #: 321 total cpu time spent up to now is 395.7 secs Computing kpt #: 322 total cpu time spent up to now is 396.7 secs Computing kpt #: 323 total cpu time spent up to now is 397.9 secs Computing kpt #: 324 total cpu time spent up to now is 399.0 secs Computing kpt #: 325 total cpu time spent up to now is 400.0 secs Computing kpt #: 326 total cpu time spent up to now is 401.0 secs Computing kpt #: 327 total cpu time spent up to now is 402.1 secs Computing kpt #: 328 total cpu time spent up to now is 403.1 secs Computing kpt #: 329 total cpu time spent up to now is 404.4 secs Computing kpt #: 330 total cpu time spent up to now is 405.4 secs Computing kpt #: 331 total cpu time spent up to now is 406.4 secs Computing kpt #: 332 total cpu time spent up to now is 407.4 secs Computing kpt #: 333 total cpu time spent up to now is 408.4 secs Computing kpt #: 334 total cpu time spent up to now is 409.5 secs Computing kpt #: 335 total cpu time spent up to now is 410.5 secs Computing kpt #: 336 total cpu time spent up to now is 411.5 secs Computing kpt #: 337 total cpu time spent up to now is 412.6 secs Computing kpt #: 338 total cpu time spent up to now is 413.8 secs Computing kpt #: 339 total cpu time spent up to now is 415.0 secs Computing kpt #: 340 total cpu time spent up to now is 416.4 secs Computing kpt #: 341 total cpu time spent up to now is 417.5 secs Computing kpt #: 342 total cpu time spent up to now is 418.6 secs Computing kpt #: 343 total cpu time spent up to now is 419.8 secs Computing kpt #: 344 total cpu time spent up to now is 420.9 secs Computing kpt #: 345 total cpu time spent up to now is 422.7 secs Computing kpt #: 346 total cpu time spent up to now is 424.5 secs Computing kpt #: 347 total cpu time spent up to now is 426.2 secs Computing kpt #: 348 total cpu time spent up to now is 428.1 secs Computing kpt #: 349 total cpu time spent up to now is 429.3 secs Computing kpt #: 350 total cpu time spent up to now is 430.5 secs Computing kpt #: 351 total cpu time spent up to now is 431.6 secs Computing kpt #: 352 total cpu time spent up to now is 432.8 secs Computing kpt #: 353 total cpu time spent up to now is 434.0 secs Computing kpt #: 354 total cpu time spent up to now is 435.1 secs ethr = 2.63E-11, avg # of iterations = 21.1 total cpu time spent up to now is 435.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3501 PWs) bands (ev): -45.2620 -45.2620 -22.7774 -22.7774 -20.7293 -20.7293 -20.6062 -20.6062 -5.4827 -5.4827 -5.4811 -5.4811 -4.6830 -4.6830 -4.6507 -4.6507 -4.5484 -4.5484 -4.5214 -4.5214 -3.5907 -3.5907 2.0886 2.0886 4.9044 4.9044 6.4527 6.4527 7.5356 7.5356 7.5998 7.5998 8.4260 8.4260 8.6469 8.6469 10.2087 10.2087 12.3562 12.3562 12.3709 12.3709 12.5459 12.5459 12.6090 12.6090 k = 0.0093 0.0053-0.0000 ( 3509 PWs) bands (ev): -45.2620 -45.2620 -22.7775 -22.7775 -20.7294 -20.7294 -20.6064 -20.6064 -5.4827 -5.4827 -5.4811 -5.4811 -4.6827 -4.6827 -4.6507 -4.6507 -4.5484 -4.5484 -4.5207 -4.5207 -3.5902 -3.5902 2.0900 2.0900 4.9058 4.9058 6.4523 6.4523 7.5341 7.5341 7.5985 7.5985 8.4242 8.4242 8.6449 8.6449 10.2074 10.2074 12.3267 12.3267 12.3918 12.3918 12.5417 12.5417 12.6187 12.6187 k = 0.0185 0.0107-0.0000 ( 3509 PWs) bands (ev): -45.2619 -45.2619 -22.7777 -22.7777 -20.7294 -20.7294 -20.6069 -20.6069 -5.4826 -5.4826 -5.4810 -5.4810 -4.6819 -4.6819 -4.6505 -4.6505 -4.5486 -4.5486 -4.5183 -4.5183 -3.5886 -3.5886 2.0945 2.0945 4.9098 4.9098 6.4509 6.4509 7.5285 7.5285 7.5958 7.5958 8.4188 8.4188 8.6390 8.6390 10.2036 10.2036 12.2829 12.2829 12.4119 12.4119 12.5332 12.5332 12.6376 12.6376 k = 0.0278 0.0160-0.0000 ( 3507 PWs) bands (ev): -45.2618 -45.2618 -22.7780 -22.7780 -20.7295 -20.7295 -20.6078 -20.6078 -5.4824 -5.4824 -5.4807 -5.4807 -4.6805 -4.6805 -4.6501 -4.6501 -4.5489 -4.5489 -4.5142 -4.5142 -3.5859 -3.5859 2.1019 2.1019 4.9165 4.9165 6.4487 6.4487 7.5165 7.5165 7.5941 7.5941 8.4097 8.4097 8.6293 8.6293 10.1970 10.1970 12.2323 12.2323 12.4272 12.4272 12.5245 12.5245 12.6416 12.6416 k = 0.0370 0.0214-0.0000 ( 3515 PWs) bands (ev): -45.2617 -45.2617 -22.7785 -22.7785 -20.7297 -20.7297 -20.6090 -20.6090 -5.4822 -5.4822 -5.4803 -5.4803 -4.6788 -4.6788 -4.6495 -4.6495 -4.5494 -4.5494 -4.5085 -4.5085 -3.5821 -3.5821 2.1122 2.1122 4.9259 4.9259 6.4456 6.4456 7.4961 7.4961 7.5955 7.5955 8.3971 8.3971 8.6157 8.6157 10.1878 10.1878 12.1770 12.1770 12.4369 12.4369 12.5189 12.5189 12.6300 12.6300 k = 0.0463 0.0267-0.0000 ( 3507 PWs) bands (ev): -45.2614 -45.2614 -22.7791 -22.7791 -20.7299 -20.7299 -20.6105 -20.6105 -5.4820 -5.4820 -5.4797 -5.4797 -4.6766 -4.6766 -4.6487 -4.6487 -4.5500 -4.5500 -4.5010 -4.5010 -3.5773 -3.5773 2.1255 2.1255 4.9380 4.9380 6.4416 6.4416 7.4671 7.4671 7.6006 7.6006 8.3810 8.3810 8.5985 8.5985 10.1759 10.1759 12.1187 12.1187 12.4368 12.4368 12.5212 12.5212 12.6131 12.6131 k = 0.0556 0.0321-0.0000 ( 3511 PWs) bands (ev): -45.2612 -45.2612 -22.7798 -22.7798 -20.7302 -20.7302 -20.6124 -20.6124 -5.4818 -5.4818 -5.4790 -5.4790 -4.6742 -4.6742 -4.6478 -4.6478 -4.5506 -4.5506 -4.4916 -4.4916 -3.5715 -3.5715 2.1418 2.1418 4.9526 4.9526 6.4365 6.4365 7.4303 7.4303 7.6088 7.6088 8.3615 8.3615 8.5777 8.5777 10.1610 10.1610 12.0585 12.0585 12.4248 12.4248 12.5321 12.5321 12.5955 12.5955 k = 0.0648 0.0374-0.0000 ( 3511 PWs) bands (ev): -45.2609 -45.2609 -22.7807 -22.7807 -20.7305 -20.7305 -20.6145 -20.6145 -5.4815 -5.4815 -5.4781 -5.4781 -4.6716 -4.6716 -4.6468 -4.6468 -4.5513 -4.5513 -4.4804 -4.4804 -3.5646 -3.5646 2.1610 2.1610 4.9698 4.9698 6.4304 6.4304 7.3865 7.3865 7.6196 7.6196 8.3387 8.3387 8.5535 8.5535 10.1432 10.1432 11.9975 11.9975 12.4043 12.4043 12.5395 12.5395 12.5877 12.5877 k = 0.0741 0.0428-0.0000 ( 3509 PWs) bands (ev): -45.2606 -45.2606 -22.7817 -22.7817 -20.7309 -20.7309 -20.6170 -20.6170 -5.4812 -5.4812 -5.4772 -5.4772 -4.6690 -4.6690 -4.6456 -4.6456 -4.5521 -4.5521 -4.4671 -4.4671 -3.5567 -3.5567 2.1831 2.1831 4.9895 4.9895 6.4232 6.4232 7.3364 7.3364 7.6326 7.6326 8.3126 8.3126 8.5261 8.5261 10.1222 10.1222 11.9366 11.9366 12.3787 12.3787 12.5266 12.5266 12.6043 12.6043 k = 0.0833 0.0481-0.0000 ( 3501 PWs) bands (ev): -45.2602 -45.2602 -22.7828 -22.7828 -20.7313 -20.7313 -20.6197 -20.6197 -5.4809 -5.4809 -5.4760 -5.4760 -4.6664 -4.6664 -4.6441 -4.6441 -4.5530 -4.5530 -4.4518 -4.4518 -3.5479 -3.5479 2.2082 2.2082 5.0116 5.0116 6.4148 6.4148 7.2806 7.2806 7.6476 7.6476 8.2836 8.2836 8.4956 8.4956 10.0980 10.0980 11.8765 11.8765 12.3500 12.3500 12.5036 12.5036 12.6340 12.6340 k = 0.0926 0.0535-0.0000 ( 3497 PWs) bands (ev): -45.2597 -45.2597 -22.7841 -22.7841 -20.7318 -20.7318 -20.6227 -20.6227 -5.4806 -5.4806 -5.4748 -5.4748 -4.6639 -4.6639 -4.6424 -4.6424 -4.5539 -4.5539 -4.4345 -4.4345 -3.5380 -3.5380 2.2361 2.2361 5.0361 5.0361 6.4051 6.4051 7.2198 7.2198 7.6644 7.6644 8.2518 8.2518 8.4621 8.4621 10.0706 10.0706 11.8179 11.8179 12.3196 12.3196 12.4776 12.4776 12.6692 12.6692 k = 0.1019 0.0588-0.0000 ( 3499 PWs) bands (ev): -45.2593 -45.2593 -22.7854 -22.7854 -20.7324 -20.7324 -20.6260 -20.6260 -5.4804 -5.4804 -5.4735 -5.4735 -4.6616 -4.6616 -4.6407 -4.6407 -4.5548 -4.5548 -4.4151 -4.4151 -3.5272 -3.5272 2.2670 2.2670 5.0628 5.0628 6.3940 6.3940 7.1545 7.1545 7.6828 7.6828 8.2174 8.2174 8.4259 8.4259 10.0397 10.0397 11.7615 11.7615 12.2886 12.2886 12.4503 12.4503 12.7078 12.7078 k = 0.1111 0.0642-0.0000 ( 3499 PWs) bands (ev): -45.2588 -45.2588 -22.7869 -22.7869 -20.7331 -20.7331 -20.6294 -20.6294 -5.4800 -5.4800 -5.4721 -5.4721 -4.6595 -4.6595 -4.6387 -4.6387 -4.5558 -4.5558 -4.3938 -4.3938 -3.5155 -3.5155 2.3007 2.3007 5.0916 5.0916 6.3815 6.3815 7.0851 7.0851 7.7027 7.7027 8.1806 8.1806 8.3872 8.3872 10.0055 10.0055 11.7078 11.7078 12.2579 12.2579 12.4222 12.4222 12.7489 12.7489 k = 0.1204 0.0695-0.0000 ( 3507 PWs) bands (ev): -45.2584 -45.2584 -22.7885 -22.7885 -20.7339 -20.7339 -20.6330 -20.6330 -5.4798 -5.4798 -5.4707 -5.4707 -4.6576 -4.6576 -4.6366 -4.6366 -4.5568 -4.5568 -4.3704 -4.3704 -3.5028 -3.5028 2.3373 2.3373 5.1224 5.1224 6.3673 6.3673 7.0122 7.0122 7.7240 7.7240 8.1418 8.1418 8.3462 8.3462 9.9679 9.9679 11.6574 11.6574 12.2282 12.2282 12.3937 12.3937 12.7919 12.7919 k = 0.1296 0.0748-0.0000 ( 3513 PWs) bands (ev): -45.2579 -45.2579 -22.7903 -22.7903 -20.7348 -20.7348 -20.6368 -20.6368 -5.4796 -5.4796 -5.4692 -5.4692 -4.6559 -4.6559 -4.6343 -4.6343 -4.5578 -4.5578 -4.3451 -4.3451 -3.4893 -3.4893 2.3768 2.3768 5.1551 5.1551 6.3513 6.3513 6.9363 6.9363 7.7465 7.7465 8.1013 8.1013 8.3032 8.3032 9.9271 9.9271 11.6107 11.6107 12.2002 12.2002 12.3649 12.3649 12.8365 12.8365 k = 0.1389 0.0802-0.0000 ( 3517 PWs) bands (ev): -45.2573 -45.2573 -22.7921 -22.7921 -20.7359 -20.7359 -20.6407 -20.6407 -5.4793 -5.4793 -5.4677 -5.4677 -4.6544 -4.6544 -4.6319 -4.6319 -4.5587 -4.5587 -4.3180 -4.3180 -3.4750 -3.4750 2.4191 2.4191 5.1895 5.1895 6.3334 6.3334 6.8579 6.8579 7.7700 7.7700 8.0593 8.0593 8.2587 8.2587 9.8831 9.8831 11.5679 11.5679 12.1745 12.1745 12.3362 12.3362 12.8822 12.8822 k = 0.1481 0.0855-0.0000 ( 3519 PWs) bands (ev): -45.2567 -45.2567 -22.7940 -22.7940 -20.7370 -20.7370 -20.6447 -20.6447 -5.4791 -5.4791 -5.4661 -5.4661 -4.6530 -4.6530 -4.6294 -4.6294 -4.5595 -4.5595 -4.2890 -4.2890 -3.4598 -3.4598 2.4641 2.4641 5.2253 5.2253 6.3134 6.3134 6.7774 6.7774 7.7940 7.7940 8.0163 8.0163 8.2128 8.2128 9.8363 9.8363 11.5294 11.5294 12.1513 12.1513 12.3076 12.3076 12.9287 12.9287 k = 0.1574 0.0909-0.0000 ( 3524 PWs) bands (ev): -45.2561 -45.2561 -22.7960 -22.7960 -20.7384 -20.7384 -20.6487 -20.6487 -5.4788 -5.4788 -5.4645 -5.4645 -4.6518 -4.6518 -4.6269 -4.6269 -4.5602 -4.5602 -4.2583 -4.2583 -3.4439 -3.4439 2.5120 2.5120 5.2624 5.2624 6.2912 6.2912 6.6955 6.6955 7.8181 7.8181 7.9730 7.9730 8.1664 8.1664 9.7869 9.7869 11.4953 11.4953 12.1309 12.1309 12.2795 12.2795 12.9756 12.9756 k = 0.1667 0.0962-0.0000 ( 3528 PWs) bands (ev): -45.2555 -45.2555 -22.7981 -22.7981 -20.7399 -20.7399 -20.6527 -20.6527 -5.4786 -5.4786 -5.4629 -5.4629 -4.6507 -4.6507 -4.6244 -4.6244 -4.5607 -4.5607 -4.2260 -4.2260 -3.4273 -3.4273 2.5625 2.5625 5.3003 5.3003 6.2664 6.2664 6.6127 6.6127 7.8403 7.8403 7.9307 7.9307 8.1200 8.1200 9.7352 9.7352 11.4658 11.4658 12.1135 12.1135 12.2521 12.2521 13.0227 13.0227 k = 0.1759 0.1016-0.0000 ( 3540 PWs) bands (ev): -45.2549 -45.2549 -22.8003 -22.8003 -20.7417 -20.7417 -20.6567 -20.6567 -5.4785 -5.4785 -5.4613 -5.4613 -4.6497 -4.6497 -4.6222 -4.6222 -4.5609 -4.5609 -4.1921 -4.1921 -3.4099 -3.4099 2.6158 2.6158 5.3388 5.3388 6.2391 6.2391 6.5295 6.5295 7.8514 7.8514 7.8980 7.8980 8.0753 8.0753 9.6817 9.6817 11.4408 11.4408 12.0991 12.0991 12.2255 12.2255 13.0696 13.0696 k = 0.1852 0.1069-0.0000 ( 3542 PWs) bands (ev): -45.2542 -45.2542 -22.8025 -22.8025 -20.7436 -20.7436 -20.6606 -20.6606 -5.4783 -5.4783 -5.4596 -5.4596 -4.6487 -4.6487 -4.6200 -4.6200 -4.5608 -4.5608 -4.1567 -4.1567 -3.3919 -3.3919 2.6716 2.6716 5.3772 5.3772 6.2089 6.2089 6.4467 6.4467 7.8256 7.8256 7.8974 7.8974 8.0358 8.0358 9.6269 9.6269 11.4204 11.4204 12.0877 12.0877 12.2001 12.2001 13.1162 13.1162 k = 0.1944 0.1123-0.0000 ( 3546 PWs) bands (ev): -45.2535 -45.2535 -22.8049 -22.8049 -20.7459 -20.7459 -20.6644 -20.6644 -5.4782 -5.4782 -5.4580 -5.4580 -4.6478 -4.6478 -4.6180 -4.6180 -4.5604 -4.5604 -4.1200 -4.1200 -3.3734 -3.3734 2.7301 2.7301 5.4149 5.4149 6.1756 6.1756 6.3652 6.3652 7.7842 7.7842 7.8990 7.8990 8.0108 8.0108 9.5712 9.5712 11.4044 11.4044 12.0790 12.0790 12.1761 12.1761 13.1622 13.1622 k = 0.2037 0.1176-0.0000 ( 3546 PWs) bands (ev): -45.2528 -45.2528 -22.8073 -22.8073 -20.7483 -20.7483 -20.6680 -20.6680 -5.4781 -5.4781 -5.4563 -5.4563 -4.6469 -4.6469 -4.6163 -4.6163 -4.5595 -4.5595 -4.0820 -4.0820 -3.3542 -3.3542 2.7910 2.7910 5.4509 5.4509 6.1393 6.1393 6.2861 6.2861 7.7409 7.7409 7.8790 7.8790 8.0108 8.0108 9.5153 9.5153 11.3927 11.3927 12.0729 12.0729 12.1537 12.1537 13.2074 13.2074 k = 0.2130 0.1230-0.0000 ( 3542 PWs) bands (ev): -45.2520 -45.2520 -22.8097 -22.8097 -20.7511 -20.7511 -20.6714 -20.6714 -5.4780 -5.4780 -5.4547 -5.4547 -4.6460 -4.6460 -4.6148 -4.6148 -4.5582 -4.5582 -4.0428 -4.0428 -3.3346 -3.3346 2.8544 2.8544 5.4836 5.4836 6.0999 6.0999 6.2109 6.2109 7.6976 7.6976 7.8433 7.8433 8.0285 8.0285 9.4595 9.4595 11.3851 11.3851 12.0688 12.0688 12.1335 12.1335 13.2516 13.2516 k = 0.2222 0.1283-0.0000 ( 3540 PWs) bands (ev): -45.2512 -45.2512 -22.8122 -22.8122 -20.7541 -20.7541 -20.6745 -20.6745 -5.4779 -5.4779 -5.4531 -5.4531 -4.6452 -4.6452 -4.6137 -4.6137 -4.5565 -4.5565 -4.0026 -4.0026 -3.3145 -3.3145 2.9201 2.9201 5.5108 5.5108 6.0583 6.0583 6.1409 6.1409 7.6550 7.6550 7.8024 7.8024 8.0531 8.0531 9.4046 9.4046 11.3815 11.3815 12.0659 12.0659 12.1160 12.1160 13.2945 13.2945 k = 0.2315 0.1336-0.0000 ( 3540 PWs) bands (ev): -45.2504 -45.2504 -22.8147 -22.8147 -20.7575 -20.7575 -20.6774 -20.6774 -5.4779 -5.4779 -5.4516 -5.4516 -4.6445 -4.6445 -4.6128 -4.6128 -4.5543 -4.5543 -3.9614 -3.9614 -3.2940 -3.2940 2.9880 2.9880 5.5291 5.5291 6.0171 6.0171 6.0773 6.0773 7.6131 7.6131 7.7607 7.7607 8.0804 8.0804 9.3510 9.3510 11.3814 11.3814 12.0627 12.0627 12.1023 12.1023 13.3360 13.3360 k = 0.2407 0.1390-0.0000 ( 3534 PWs) bands (ev): -45.2496 -45.2496 -22.8173 -22.8173 -20.7611 -20.7611 -20.6801 -20.6801 -5.4778 -5.4778 -5.4501 -5.4501 -4.6438 -4.6438 -4.6122 -4.6122 -4.5518 -4.5518 -3.9194 -3.9194 -3.2732 -3.2732 3.0580 3.0580 5.5338 5.5338 5.9803 5.9803 6.0206 6.0206 7.5722 7.5722 7.7199 7.7199 8.1088 8.1088 9.2992 9.2992 11.3846 11.3846 12.0573 12.0573 12.0938 12.0938 13.3668 13.3668 k = 0.2500 0.1443-0.0000 ( 3538 PWs) bands (ev): -45.2489 -45.2489 -22.8198 -22.8198 -20.7649 -20.7649 -20.6825 -20.6825 -5.4779 -5.4779 -5.4487 -5.4487 -4.6433 -4.6433 -4.6118 -4.6118 -4.5489 -4.5489 -3.8767 -3.8767 -3.2522 -3.2522 3.1299 3.1299 5.5209 5.5209 5.9446 5.9446 5.9786 5.9786 7.5322 7.5322 7.6809 7.6809 8.1375 8.1375 9.2498 9.2498 11.3909 11.3909 12.0494 12.0494 12.0897 12.0897 13.1593 13.1593 k = 0.2593 0.1497-0.0000 ( 3542 PWs) bands (ev): -45.2481 -45.2481 -22.8224 -22.8224 -20.7690 -20.7690 -20.6846 -20.6846 -5.4780 -5.4780 -5.4473 -5.4473 -4.6428 -4.6428 -4.6115 -4.6115 -4.5457 -4.5457 -3.8334 -3.8334 -3.2309 -3.2309 3.2035 3.2035 5.4891 5.4891 5.8959 5.8959 5.9667 5.9667 7.4931 7.4931 7.6442 7.6442 8.1661 8.1661 9.2033 9.2033 11.3997 11.3997 12.0405 12.0405 12.0861 12.0861 12.9435 12.9435 k = 0.2685 0.1550-0.0000 ( 3542 PWs) bands (ev): -45.2473 -45.2473 -22.8250 -22.8250 -20.7733 -20.7733 -20.6865 -20.6865 -5.4781 -5.4781 -5.4461 -5.4461 -4.6425 -4.6425 -4.6113 -4.6113 -4.5422 -4.5422 -3.7896 -3.7896 -3.2095 -3.2095 3.2786 3.2786 5.4420 5.4420 5.8416 5.8416 5.9746 5.9746 7.4548 7.4548 7.6103 7.6103 8.1944 8.1944 9.1600 9.1600 11.4108 11.4108 12.0316 12.0316 12.0775 12.0775 12.7381 12.7381 k = 0.2778 0.1604-0.0000 ( 3542 PWs) bands (ev): -45.2466 -45.2466 -22.8276 -22.8276 -20.7777 -20.7777 -20.6882 -20.6882 -5.4782 -5.4782 -5.4448 -5.4448 -4.6423 -4.6423 -4.6111 -4.6111 -4.5386 -4.5386 -3.7456 -3.7456 -3.1880 -3.1880 3.3550 3.3550 5.3846 5.3846 5.7854 5.7854 5.9937 5.9937 7.4171 7.4171 7.5793 7.5793 8.2222 8.2222 9.1203 9.1203 11.4234 11.4234 12.0191 12.0191 12.0563 12.0563 12.5556 12.5556 k = 0.2870 0.1657-0.0000 ( 3526 PWs) bands (ev): -45.2457 -45.2457 -22.8302 -22.8302 -20.7822 -20.7822 -20.6897 -20.6897 -5.4783 -5.4783 -5.4435 -5.4435 -4.6421 -4.6421 -4.6107 -4.6107 -4.5347 -4.5347 -3.7013 -3.7013 -3.1665 -3.1665 3.4322 3.4322 5.3215 5.3215 5.7282 5.7282 6.0194 6.0194 7.3802 7.3802 7.5514 7.5514 8.2493 8.2493 9.0845 9.0845 11.4367 11.4367 11.9692 11.9692 12.0350 12.0350 12.4187 12.4187 k = 0.2963 0.1711-0.0000 ( 3530 PWs) bands (ev): -45.2449 -45.2449 -22.8328 -22.8328 -20.7868 -20.7868 -20.6909 -20.6909 -5.4785 -5.4785 -5.4425 -5.4425 -4.6423 -4.6423 -4.6104 -4.6104 -4.5309 -4.5309 -3.6571 -3.6571 -3.1451 -3.1451 3.5097 3.5097 5.2560 5.2560 5.6703 5.6703 6.0487 6.0487 7.3440 7.3440 7.5265 7.5265 8.2755 8.2755 9.0528 9.0528 11.4487 11.4487 11.8503 11.8503 12.0295 12.0295 12.3449 12.3449 k = 0.3056 0.1764-0.0000 ( 3528 PWs) bands (ev): -45.2442 -45.2442 -22.8353 -22.8353 -20.7915 -20.7915 -20.6920 -20.6920 -5.4787 -5.4787 -5.4415 -5.4415 -4.6425 -4.6425 -4.6100 -4.6100 -4.5269 -4.5269 -3.6130 -3.6130 -3.1238 -3.1238 3.5872 3.5872 5.1905 5.1905 5.6120 5.6120 6.0797 6.0797 7.3086 7.3086 7.5046 7.5046 8.3007 8.3007 9.0252 9.0252 11.4514 11.4514 11.6964 11.6964 12.0292 12.0292 12.3185 12.3185 k = 0.3148 0.1818-0.0000 ( 3536 PWs) bands (ev): -45.2435 -45.2435 -22.8378 -22.8378 -20.7961 -20.7961 -20.6930 -20.6930 -5.4789 -5.4789 -5.4407 -5.4407 -4.6430 -4.6430 -4.6096 -4.6096 -4.5229 -4.5229 -3.5692 -3.5692 -3.1028 -3.1028 3.6637 3.6637 5.1267 5.1267 5.5536 5.5536 6.1115 6.1115 7.2742 7.2742 7.4853 7.4853 8.3249 8.3249 9.0017 9.0017 11.4016 11.4016 11.5767 11.5767 12.0318 12.0318 12.3158 12.3158 k = 0.3241 0.1871-0.0000 ( 3548 PWs) bands (ev): -45.2429 -45.2429 -22.8402 -22.8402 -20.8008 -20.8008 -20.6938 -20.6938 -5.4792 -5.4792 -5.4399 -5.4399 -4.6436 -4.6436 -4.6090 -4.6090 -4.5191 -4.5191 -3.5259 -3.5259 -3.0821 -3.0821 3.7385 3.7385 5.0662 5.0662 5.4956 5.4956 6.1434 6.1434 7.2408 7.2408 7.4687 7.4687 8.3479 8.3479 8.9819 8.9819 11.2500 11.2500 11.5534 11.5534 12.0369 12.0369 12.3246 12.3246 k = 0.3333 0.1925-0.0000 ( 3544 PWs) bands (ev): -45.2422 -45.2422 -22.8426 -22.8426 -20.8053 -20.8053 -20.6946 -20.6946 -5.4795 -5.4795 -5.4390 -5.4390 -4.6442 -4.6442 -4.6082 -4.6082 -4.5151 -4.5151 -3.4832 -3.4832 -3.0617 -3.0617 3.8102 3.8102 5.0106 5.0106 5.4383 5.4383 6.1751 6.1751 7.2086 7.2086 7.4543 7.4543 8.3698 8.3698 8.9656 8.9656 11.0655 11.0655 11.5629 11.5629 12.0441 12.0441 12.3395 12.3395 k = 0.3426 0.1978-0.0000 ( 3536 PWs) bands (ev): -45.2415 -45.2415 -22.8449 -22.8449 -20.8098 -20.8098 -20.6952 -20.6952 -5.4797 -5.4797 -5.4383 -5.4383 -4.6449 -4.6449 -4.6074 -4.6074 -4.5112 -4.5112 -3.4414 -3.4414 -3.0419 -3.0419 3.8774 3.8774 4.9614 4.9614 5.3820 5.3820 6.2067 6.2067 7.1776 7.1776 7.4420 7.4420 8.3904 8.3904 8.9519 8.9519 10.8771 10.8771 11.5791 11.5791 12.0534 12.0534 12.3581 12.3581 k = 0.3519 0.2031-0.0000 ( 3532 PWs) bands (ev): -45.2408 -45.2408 -22.8471 -22.8471 -20.8141 -20.8141 -20.6957 -20.6957 -5.4799 -5.4799 -5.4376 -5.4376 -4.6457 -4.6457 -4.6065 -4.6065 -4.5074 -4.5074 -3.4005 -3.4005 -3.0226 -3.0226 3.9382 3.9382 4.9205 4.9205 5.3272 5.3272 6.2383 6.2383 7.1480 7.1480 7.4315 7.4315 8.4097 8.4097 8.9399 8.9399 10.6914 10.6914 11.5974 11.5974 12.0644 12.0644 12.3791 12.3791 k = 0.3611 0.2085-0.0000 ( 3536 PWs) bands (ev): -45.2402 -45.2402 -22.8493 -22.8493 -20.8183 -20.8183 -20.6961 -20.6961 -5.4802 -5.4802 -5.4371 -5.4371 -4.6466 -4.6466 -4.6056 -4.6056 -4.5037 -4.5037 -3.3609 -3.3609 -3.0039 -3.0039 3.9905 3.9905 4.8899 4.8899 5.2741 5.2741 6.2702 6.2702 7.1199 7.1199 7.4227 7.4227 8.4277 8.4277 8.9281 8.9281 10.5114 10.5114 11.6160 11.6160 12.0769 12.0769 12.4018 12.4018 k = 0.3704 0.2138-0.0000 ( 3532 PWs) bands (ev): -45.2396 -45.2396 -22.8513 -22.8513 -20.8223 -20.8223 -20.6965 -20.6965 -5.4805 -5.4805 -5.4365 -5.4365 -4.6475 -4.6475 -4.6046 -4.6046 -4.5002 -4.5002 -3.3226 -3.3226 -2.9860 -2.9860 4.0320 4.0320 4.8716 4.8716 5.2231 5.2231 6.3028 6.3028 7.0933 7.0933 7.4154 7.4154 8.4444 8.4444 8.9147 8.9147 10.3397 10.3397 11.6345 11.6345 12.0906 12.0906 12.4257 12.4257 k = 0.3796 0.2192-0.0000 ( 3536 PWs) bands (ev): -45.2391 -45.2391 -22.8533 -22.8533 -20.8262 -20.8262 -20.6968 -20.6968 -5.4808 -5.4808 -5.4361 -5.4361 -4.6484 -4.6484 -4.6036 -4.6036 -4.4968 -4.4968 -3.2859 -3.2859 -2.9688 -2.9688 4.0611 4.0611 4.8666 4.8666 5.1746 5.1746 6.3368 6.3368 7.0684 7.0684 7.4093 7.4093 8.4597 8.4597 8.8973 8.8973 10.1789 10.1789 11.6524 11.6524 12.1054 12.1054 12.4505 12.4505 k = 0.3889 0.2245-0.0000 ( 3536 PWs) bands (ev): -45.2385 -45.2385 -22.8551 -22.8551 -20.8298 -20.8298 -20.6971 -20.6971 -5.4811 -5.4811 -5.4357 -5.4357 -4.6493 -4.6493 -4.6026 -4.6026 -4.4937 -4.4937 -3.2510 -3.2510 -2.9526 -2.9526 4.0773 4.0773 4.8748 4.8748 5.1291 5.1291 6.3728 6.3728 7.0451 7.0451 7.4044 7.4044 8.4738 8.4738 8.8727 8.8727 10.0322 10.0322 11.6694 11.6694 12.1209 12.1209 12.4757 12.4757 k = 0.3981 0.2299-0.0000 ( 3536 PWs) bands (ev): -45.2381 -45.2381 -22.8568 -22.8568 -20.8331 -20.8331 -20.6973 -20.6973 -5.4813 -5.4813 -5.4353 -5.4353 -4.6502 -4.6502 -4.6016 -4.6016 -4.4907 -4.4907 -3.2180 -3.2180 -2.9373 -2.9373 4.0819 4.0819 4.8941 4.8941 5.0871 5.0871 6.4115 6.4115 7.0235 7.0235 7.4004 7.4004 8.4864 8.4864 8.8373 8.8373 9.9030 9.9030 11.6854 11.6854 12.1368 12.1368 12.5011 12.5011 k = 0.4074 0.2352-0.0000 ( 3534 PWs) bands (ev): -45.2376 -45.2376 -22.8584 -22.8584 -20.8363 -20.8363 -20.6975 -20.6975 -5.4816 -5.4816 -5.4350 -5.4350 -4.6510 -4.6510 -4.6007 -4.6007 -4.4878 -4.4878 -3.1872 -3.1872 -2.9230 -2.9230 4.0769 4.0769 4.9204 4.9204 5.0503 5.0503 6.4534 6.4534 7.0038 7.0038 7.3972 7.3972 8.4977 8.4977 8.7878 8.7878 9.7947 9.7947 11.7001 11.7001 12.1527 12.1527 12.5264 12.5264 k = 0.4167 0.2406-0.0000 ( 3544 PWs) bands (ev): -45.2373 -45.2373 -22.8599 -22.8599 -20.8392 -20.8392 -20.6977 -20.6977 -5.4818 -5.4818 -5.4348 -5.4348 -4.6519 -4.6519 -4.5999 -4.5999 -4.4853 -4.4853 -3.1587 -3.1587 -2.9099 -2.9099 4.0653 4.0653 4.9448 4.9448 5.0245 5.0245 6.4990 6.4990 6.9858 6.9858 7.3947 7.3947 8.5075 8.5075 8.7223 8.7223 9.7094 9.7094 11.7134 11.7134 12.1684 12.1684 12.5512 12.5512 k = 0.4259 0.2459-0.0000 ( 3540 PWs) bands (ev): -45.2369 -45.2369 -22.8612 -22.8612 -20.8418 -20.8418 -20.6978 -20.6978 -5.4820 -5.4820 -5.4346 -5.4346 -4.6525 -4.6525 -4.5990 -4.5990 -4.4829 -4.4829 -3.1326 -3.1326 -2.8980 -2.8980 4.0496 4.0496 4.9465 4.9465 5.0272 5.0272 6.5487 6.5487 6.9698 6.9698 7.3928 7.3928 8.5150 8.5150 8.6420 8.6420 9.6465 9.6465 11.7254 11.7254 12.1835 12.1835 12.5752 12.5752 k = 0.4352 0.2513-0.0000 ( 3544 PWs) bands (ev): -45.2366 -45.2366 -22.8624 -22.8624 -20.8441 -20.8441 -20.6979 -20.6979 -5.4823 -5.4823 -5.4344 -5.4344 -4.6532 -4.6532 -4.5983 -4.5983 -4.4809 -4.4809 -3.1092 -3.1092 -2.8872 -2.8872 4.0320 4.0320 4.9268 4.9268 5.0547 5.0547 6.6023 6.6023 6.9557 6.9557 7.3913 7.3913 8.5123 8.5123 8.5584 8.5584 9.6033 9.6033 11.7360 11.7360 12.1977 12.1977 12.5980 12.5980 k = 0.4444 0.2566-0.0000 ( 3546 PWs) bands (ev): -45.2363 -45.2363 -22.8635 -22.8635 -20.8462 -20.8462 -20.6980 -20.6980 -5.4824 -5.4824 -5.4343 -5.4343 -4.6538 -4.6538 -4.5976 -4.5976 -4.4791 -4.4791 -3.0886 -3.0886 -2.8778 -2.8778 4.0142 4.0142 4.9038 4.9038 5.0870 5.0870 6.6591 6.6591 6.9436 6.9436 7.3903 7.3903 8.4376 8.4376 8.5382 8.5382 9.5754 9.5754 11.7451 11.7451 12.2108 12.2108 12.6191 12.6191 k = 0.4537 0.2619-0.0000 ( 3548 PWs) bands (ev): -45.2361 -45.2361 -22.8644 -22.8644 -20.8479 -20.8479 -20.6981 -20.6981 -5.4826 -5.4826 -5.4342 -5.4342 -4.6543 -4.6543 -4.5971 -4.5971 -4.4775 -4.4775 -3.0709 -3.0709 -2.8698 -2.8698 3.9975 3.9975 4.8827 4.8827 5.1175 5.1175 6.7177 6.7177 6.9337 6.9337 7.3896 7.3896 8.3368 8.3368 8.5414 8.5414 9.5585 9.5585 11.7527 11.7527 12.2223 12.2223 12.6380 12.6380 k = 0.4630 0.2673-0.0000 ( 3540 PWs) bands (ev): -45.2358 -45.2358 -22.8651 -22.8651 -20.8493 -20.8493 -20.6982 -20.6982 -5.4827 -5.4827 -5.4340 -5.4340 -4.6547 -4.6547 -4.5966 -4.5966 -4.4762 -4.4762 -3.0562 -3.0562 -2.8631 -2.8631 3.9827 3.9827 4.8649 4.8649 5.1438 5.1438 6.7753 6.7753 6.9264 6.9264 7.3891 7.3891 8.2386 8.2386 8.5453 8.5453 9.5490 9.5490 11.7590 11.7590 12.2321 12.2321 12.6544 12.6544 k = 0.4722 0.2726-0.0000 ( 3536 PWs) bands (ev): -45.2356 -45.2356 -22.8656 -22.8656 -20.8504 -20.8504 -20.6982 -20.6982 -5.4828 -5.4828 -5.4339 -5.4339 -4.6550 -4.6550 -4.5962 -4.5962 -4.4751 -4.4751 -3.0447 -3.0447 -2.8579 -2.8579 3.9707 3.9707 4.8507 4.8507 5.1650 5.1650 6.8275 6.8275 6.9227 6.9227 7.3888 7.3888 8.1505 8.1505 8.5485 8.5485 9.5441 9.5441 11.7638 11.7638 12.2400 12.2400 12.6678 12.6678 k = 0.4815 0.2780-0.0000 ( 3532 PWs) bands (ev): -45.2354 -45.2354 -22.8660 -22.8660 -20.8512 -20.8512 -20.6982 -20.6982 -5.4829 -5.4829 -5.4337 -5.4337 -4.6552 -4.6552 -4.5958 -4.5958 -4.4744 -4.4744 -3.0365 -3.0365 -2.8542 -2.8542 3.9617 3.9617 4.8405 4.8405 5.1804 5.1804 6.8662 6.8662 6.9254 6.9254 7.3887 7.3887 8.0795 8.0795 8.5509 8.5509 9.5418 9.5418 11.7672 11.7672 12.2458 12.2458 12.6776 12.6776 k = 0.4907 0.2833-0.0000 ( 3536 PWs) bands (ev): -45.2354 -45.2354 -22.8663 -22.8663 -20.8517 -20.8517 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6554 -4.6554 -4.5957 -4.5957 -4.4740 -4.4740 -3.0315 -3.0315 -2.8519 -2.8519 3.9563 3.9563 4.8343 4.8343 5.1897 5.1897 6.8839 6.8839 6.9362 6.9362 7.3887 7.3887 8.0328 8.0328 8.5523 8.5523 9.5410 9.5410 11.7692 11.7692 12.2493 12.2493 12.6836 12.6836 k = 0.5000 0.2887-0.0000 ( 3532 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4337 -5.4337 -4.6554 -4.6554 -4.5956 -4.5956 -4.4738 -4.4738 -3.0298 -3.0298 -2.8512 -2.8512 3.9544 3.9544 4.8322 4.8322 5.1928 5.1928 6.8877 6.8877 6.9427 6.9427 7.3887 7.3887 8.0164 8.0164 8.5528 8.5528 9.5407 9.5407 11.7699 11.7699 12.2505 12.2505 12.6857 12.6857 k = 0.5000 0.2887-0.0000 ( 3532 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4337 -5.4337 -4.6554 -4.6554 -4.5956 -4.5956 -4.4738 -4.4738 -3.0298 -3.0298 -2.8512 -2.8512 3.9544 3.9544 4.8322 4.8322 5.1928 5.1928 6.8877 6.8877 6.9427 6.9427 7.3887 7.3887 8.0164 8.0164 8.5528 8.5528 9.5407 9.5407 11.7699 11.7699 12.2505 12.2505 12.6857 12.6857 k = 0.4946 0.2980-0.0000 ( 3536 PWs) bands (ev): -45.2354 -45.2354 -22.8670 -22.8658 -20.8526 -20.8511 -20.6985 -20.6982 -5.4829 -5.4828 -5.4338 -5.4337 -4.6555 -4.6552 -4.5957 -4.5956 -4.4741 -4.4739 -3.0305 -3.0282 -2.8510 -2.8508 3.9549 3.9569 4.8295 4.8351 5.1925 5.1948 6.8843 6.8872 6.9405 6.9442 7.3862 7.3932 8.0164 8.0179 8.5402 8.5488 9.5368 9.5525 11.7731 11.7731 12.2492 12.2534 12.6806 12.6915 k = 0.4892 0.3073-0.0000 ( 3532 PWs) bands (ev): -45.2353 -45.2353 -22.8677 -22.8652 -20.8532 -20.8502 -20.6989 -20.6985 -5.4827 -5.4824 -5.4338 -5.4336 -4.6555 -4.6548 -4.5958 -4.5955 -4.4746 -4.4742 -3.0302 -3.0258 -2.8503 -2.8498 3.9583 3.9624 4.8268 4.8381 5.1939 5.1985 6.8773 6.8816 6.9388 6.9451 7.3858 7.3995 8.0173 8.0206 8.5124 8.5285 9.5406 9.5712 11.7827 11.7827 12.2496 12.2580 12.6763 12.6980 k = 0.4839 0.3166-0.0000 ( 3536 PWs) bands (ev): -45.2353 -45.2353 -22.8684 -22.8647 -20.8538 -20.8492 -20.6996 -20.6990 -5.4823 -5.4820 -5.4338 -5.4335 -4.6553 -4.6544 -4.5958 -4.5954 -4.4754 -4.4748 -3.0290 -3.0224 -2.8490 -2.8483 3.9647 3.9708 4.8243 4.8413 5.1970 5.2039 6.8661 6.8693 6.9396 6.9465 7.3873 7.4069 8.0184 8.0239 8.4723 8.4938 9.5515 9.5951 11.7985 11.7987 12.2511 12.2640 12.6730 12.7056 k = 0.4785 0.3259-0.0000 ( 3536 PWs) bands (ev): -45.2353 -45.2353 -22.8691 -22.8642 -20.8543 -20.8481 -20.7005 -20.6997 -5.4818 -5.4813 -5.4338 -5.4334 -4.6550 -4.6538 -4.5958 -4.5953 -4.4766 -4.4757 -3.0269 -3.0181 -2.8471 -2.8463 3.9740 3.9821 4.8217 4.8445 5.2017 5.2109 6.8502 6.8504 6.9435 6.9496 7.3901 7.4148 8.0177 8.0263 8.4239 8.4479 9.5678 9.6225 11.8204 11.8208 12.2534 12.2706 12.6711 12.7145 k = 0.4731 0.3352-0.0000 ( 3538 PWs) bands (ev): -45.2352 -45.2352 -22.8698 -22.8637 -20.8547 -20.8470 -20.7016 -20.7007 -5.4811 -5.4805 -5.4338 -5.4332 -4.6546 -4.6531 -4.5959 -4.5952 -4.4779 -4.4768 -3.0239 -3.0129 -2.8448 -2.8437 3.9862 3.9964 4.8192 4.8478 5.2081 5.2196 6.8254 6.8307 6.9503 6.9548 7.3935 7.4224 8.0117 8.0250 8.3730 8.3963 9.5879 9.6519 11.8482 11.8489 12.2555 12.2771 12.6713 12.7253 k = 0.4677 0.3445-0.0000 ( 3534 PWs) bands (ev): -45.2351 -45.2351 -22.8706 -22.8633 -20.8550 -20.8458 -20.7029 -20.7019 -5.4802 -5.4795 -5.4336 -5.4330 -4.6541 -4.6522 -4.5959 -4.5951 -4.4795 -4.4782 -3.0200 -3.0069 -2.8419 -2.8407 4.0013 4.0136 4.8165 4.8511 5.2160 5.2298 6.7964 6.8077 6.9592 6.9621 7.3971 7.4291 7.9944 8.0146 8.3277 8.3465 9.6104 9.6821 11.8814 11.8826 12.2568 12.2824 12.6745 12.7384 k = 0.4624 0.3539-0.0000 ( 3540 PWs) bands (ev): -45.2351 -45.2351 -22.8714 -22.8630 -20.8553 -20.8444 -20.7044 -20.7033 -5.4793 -5.4784 -5.4336 -5.4329 -4.6534 -4.6513 -4.5959 -4.5950 -4.4815 -4.4800 -3.0154 -3.0001 -2.8386 -2.8371 4.0192 4.0337 4.8137 4.8543 5.2255 5.2416 6.7642 6.7822 6.9701 6.9716 7.3999 7.4341 7.9587 7.9869 8.2969 8.3089 9.6341 9.7121 11.9198 11.9218 12.2563 12.2852 12.6815 12.7544 k = 0.4570 0.3632-0.0000 ( 3540 PWs) bands (ev): -45.2350 -45.2349 -22.8721 -22.8626 -20.8555 -20.8430 -20.7061 -20.7050 -5.4782 -5.4772 -5.4334 -5.4326 -4.6526 -4.6502 -4.5959 -4.5949 -4.4836 -4.4819 -3.0099 -2.9926 -2.8347 -2.8331 4.0399 4.0566 4.8106 4.8573 5.2365 5.2548 6.7298 6.7551 6.9827 6.9830 7.4015 7.4366 7.9017 7.9362 8.2854 8.2911 9.6582 9.7415 11.9629 11.9659 12.2534 12.2843 12.6933 12.7738 k = 0.4516 0.3725-0.0000 ( 3546 PWs) bands (ev): -45.2349 -45.2349 -22.8730 -22.8623 -20.8557 -20.8416 -20.7078 -20.7068 -5.4771 -5.4758 -5.4333 -5.4325 -4.6517 -4.6490 -4.5959 -4.5948 -4.4860 -4.4841 -3.0037 -2.9843 -2.8305 -2.8286 4.0632 4.0824 4.8071 4.8600 5.2489 5.2695 6.6941 6.7271 6.9963 6.9967 7.4008 7.4354 7.8277 7.8647 8.2910 8.2931 9.6822 9.7700 12.0100 12.0146 12.2474 12.2787 12.7104 12.7967 k = 0.4462 0.3818-0.0000 ( 3529 PWs) bands (ev): -45.2346 -45.2346 -22.8738 -22.8620 -20.8558 -20.8400 -20.7097 -20.7089 -5.4757 -5.4743 -5.4329 -5.4321 -4.6505 -4.6475 -4.5958 -4.5945 -4.4884 -4.4864 -2.9968 -2.9754 -2.8258 -2.8238 4.0893 4.1108 4.8031 4.8624 5.2626 5.2855 6.6577 6.6990 7.0113 7.0121 7.3966 7.4285 7.7442 7.7798 8.3091 8.3097 9.7059 9.7975 12.0601 12.0672 12.2384 12.2680 12.7331 12.8234 k = 0.4409 0.3911-0.0000 ( 3535 PWs) bands (ev): -45.2345 -45.2345 -22.8746 -22.8618 -20.8559 -20.8384 -20.7118 -20.7111 -5.4745 -5.4729 -5.4327 -5.4318 -4.6493 -4.6460 -4.5958 -4.5944 -4.4912 -4.4891 -2.9892 -2.9659 -2.8208 -2.8186 4.1180 4.1420 4.7986 4.8642 5.2776 5.3027 6.6214 6.6712 7.0280 7.0283 7.3867 7.4115 7.6601 7.6897 8.3360 8.3364 9.7291 9.8240 12.1111 12.1227 12.2274 12.2523 12.7611 12.8532 k = 0.4355 0.4004-0.0000 ( 3527 PWs) bands (ev): -45.2343 -45.2343 -22.8754 -22.8616 -20.8559 -20.8367 -20.7138 -20.7135 -5.4731 -5.4713 -5.4323 -5.4315 -4.6479 -4.6443 -4.5957 -4.5942 -4.4941 -4.4918 -2.9811 -2.9559 -2.8154 -2.8131 4.1491 4.1758 4.7935 4.8655 5.2937 5.3211 6.5858 6.6443 7.0447 7.0461 7.3662 7.3756 7.5872 7.6032 8.3696 8.3703 9.7519 9.8499 12.1533 12.1769 12.2230 12.2353 12.7937 12.8852 k = 0.4301 0.4097-0.0000 ( 3533 PWs) bands (ev): -45.2342 -45.2342 -22.8763 -22.8615 -20.8559 -20.8349 -20.7161 -20.7160 -5.4718 -5.4698 -5.4320 -5.4312 -4.6464 -4.6425 -4.5956 -4.5940 -4.4973 -4.4949 -2.9724 -2.9454 -2.8098 -2.8073 4.1827 4.2122 4.7876 4.8659 5.3109 5.3405 6.5513 6.6188 7.0595 7.0651 7.3120 7.3269 7.5327 7.5369 8.4085 8.4099 9.7744 9.8751 12.1585 12.1898 12.2521 12.2559 12.8291 12.9144 k = 0.4247 0.4190-0.0000 ( 3537 PWs) bands (ev): -45.2341 -45.2341 -22.8771 -22.8614 -20.8560 -20.8331 -20.7188 -20.7182 -5.4705 -5.4683 -5.4316 -5.4308 -4.6448 -4.6406 -4.5955 -4.5938 -4.5006 -4.4981 -2.9634 -2.9345 -2.8040 -2.8013 4.2187 4.2511 4.7809 4.8656 5.3290 5.3607 6.5184 6.5952 7.0669 7.0827 7.2267 7.2673 7.4868 7.5066 8.4520 8.4544 9.7967 9.9001 12.1368 12.1605 12.3019 12.3134 12.8516 12.9079 k = 0.4194 0.4284-0.0000 ( 3539 PWs) bands (ev): -45.2340 -45.2339 -22.8779 -22.8613 -20.8560 -20.8313 -20.7216 -20.7204 -5.4692 -5.4667 -5.4311 -5.4304 -4.6430 -4.6386 -4.5953 -4.5936 -4.5041 -4.5015 -2.9539 -2.9234 -2.7979 -2.7952 4.2568 4.2924 4.7735 4.8643 5.3479 5.3818 6.4877 6.5736 7.0483 7.0783 7.1516 7.2133 7.4595 7.4864 8.4994 8.5031 9.8190 9.9249 12.1051 12.1209 12.3481 12.3707 12.7158 12.7311 k = 0.4140 0.4377-0.0000 ( 3543 PWs) bands (ev): -45.2338 -45.2338 -22.8787 -22.8613 -20.8560 -20.8294 -20.7244 -20.7226 -5.4679 -5.4653 -5.4306 -5.4300 -4.6411 -4.6364 -4.5952 -4.5933 -4.5077 -4.5050 -2.9442 -2.9120 -2.7918 -2.7889 4.2970 4.3360 4.7652 4.8619 5.3675 5.4035 6.4594 6.5544 6.9811 6.9948 7.1509 7.1982 7.4410 7.4700 8.5504 8.5556 9.8413 9.9498 12.0649 12.0712 12.3585 12.4011 12.5568 12.5763 k = 0.4086 0.4470-0.0000 ( 3555 PWs) bands (ev): -45.2338 -45.2337 -22.8795 -22.8613 -20.8560 -20.8275 -20.7274 -20.7247 -5.4669 -5.4640 -5.4302 -5.4296 -4.6392 -4.6342 -4.5951 -4.5930 -4.5114 -4.5087 -2.9343 -2.9006 -2.7856 -2.7826 4.3392 4.3818 4.7561 4.8586 5.3876 5.4257 6.4338 6.5377 6.8832 6.8872 7.1733 7.2102 7.4258 7.4547 8.6046 8.6118 9.8637 9.9750 12.0047 12.0108 12.2620 12.3055 12.5291 12.5318 k = 0.4032 0.4563-0.0000 ( 3559 PWs) bands (ev): -45.2336 -45.2336 -22.8803 -22.8613 -20.8560 -20.8256 -20.7304 -20.7268 -5.4658 -5.4627 -5.4296 -5.4291 -4.6372 -4.6319 -4.5948 -4.5926 -4.5152 -4.5124 -2.9243 -2.8891 -2.7794 -2.7763 4.3831 4.4297 4.7463 4.8541 5.4080 5.4482 6.4111 6.5235 6.7746 6.7763 7.1997 7.2323 7.4117 7.4395 8.6619 8.6713 9.8863 10.0005 11.9056 11.9235 12.1289 12.1725 12.5386 12.5516 k = 0.3978 0.4656-0.0000 ( 3559 PWs) bands (ev): -45.2335 -45.2334 -22.8810 -22.8613 -20.8561 -20.8237 -20.7333 -20.7288 -5.4648 -5.4615 -5.4290 -5.4285 -4.6351 -4.6294 -4.5945 -4.5922 -4.5190 -4.5161 -2.9143 -2.8777 -2.7732 -2.7701 4.4286 4.4795 4.7359 4.8487 5.4287 5.4708 6.3914 6.5113 6.6626 6.6660 7.2277 7.2588 7.3979 7.4241 8.7218 8.7339 9.9090 10.0264 11.7641 11.7821 12.0374 12.0750 12.5344 12.5517 k = 0.3925 0.4749-0.0000 ( 3559 PWs) bands (ev): -45.2333 -45.2333 -22.8818 -22.8614 -20.8561 -20.8218 -20.7363 -20.7307 -5.4639 -5.4603 -5.4283 -5.4280 -4.6329 -4.6269 -4.5941 -4.5917 -4.5228 -4.5199 -2.9045 -2.8666 -2.7672 -2.7639 4.4754 4.5312 4.7250 4.8423 5.4493 5.4934 6.3746 6.4973 6.5502 6.5618 7.2566 7.2879 7.3839 7.4088 8.7840 8.7993 9.9315 10.0524 11.5966 11.6092 11.9764 12.0046 12.5151 12.5304 k = 0.3871 0.4842-0.0000 ( 3559 PWs) bands (ev): -45.2332 -45.2331 -22.8825 -22.8615 -20.8562 -20.8199 -20.7392 -20.7325 -5.4631 -5.4593 -5.4277 -5.4274 -4.6307 -4.6243 -4.5937 -4.5910 -4.5266 -4.5237 -2.8948 -2.8557 -2.7613 -2.7580 4.5232 4.5844 4.7138 4.8351 5.4698 5.5157 6.3600 6.4359 6.4397 6.5098 7.2848 7.3185 7.3697 7.3945 8.8482 8.8674 9.9535 10.0785 11.4209 11.4287 11.9260 11.9464 12.4886 12.5010 k = 0.3817 0.4935-0.0000 ( 3551 PWs) bands (ev): -45.2329 -45.2329 -22.8831 -22.8616 -20.8563 -20.8181 -20.7420 -20.7342 -5.4623 -5.4583 -5.4270 -5.4268 -4.6285 -4.6217 -4.5931 -4.5902 -4.5303 -4.5274 -2.8855 -2.8453 -2.7557 -2.7524 4.5716 4.6389 4.7027 4.8273 5.4898 5.5375 6.3215 6.3357 6.3582 6.5024 7.3088 7.3497 7.3559 7.3848 8.9140 8.9377 9.9744 10.1042 11.2458 11.2498 11.8798 11.8938 12.4607 12.4705 k = 0.3763 0.5029-0.0000 ( 3543 PWs) bands (ev): -45.2327 -45.2327 -22.8837 -22.8617 -20.8565 -20.8164 -20.7447 -20.7356 -5.4616 -5.4575 -5.4263 -5.4262 -4.6264 -4.6193 -4.5924 -4.5893 -4.5339 -4.5311 -2.8767 -2.8355 -2.7504 -2.7470 4.6197 4.6920 4.6944 4.8192 5.5090 5.5585 6.2195 6.2361 6.3460 6.5009 7.3198 7.3408 7.3828 7.3884 8.9805 9.0100 9.9933 10.1289 11.0761 11.0766 11.8362 11.8446 12.4340 12.4420 k = 0.3710 0.5122-0.0000 ( 3549 PWs) bands (ev): -45.2327 -45.2326 -22.8842 -22.8618 -20.8566 -20.8148 -20.7472 -20.7370 -5.4611 -5.4569 -5.4258 -5.4257 -4.6245 -4.6170 -4.5917 -4.5883 -4.5376 -4.5347 -2.8684 -2.8264 -2.7455 -2.7421 4.6632 4.6859 4.7505 4.8109 5.5271 5.5784 6.1178 6.1409 6.3402 6.5021 7.3142 7.3268 7.4087 7.4150 9.0471 9.0836 10.0088 10.1514 10.9124 10.9150 11.7950 11.7983 12.4101 12.4167 k = 0.3656 0.5215-0.0000 ( 3549 PWs) bands (ev): -45.2325 -45.2325 -22.8847 -22.8619 -20.8568 -20.8133 -20.7495 -20.7381 -5.4607 -5.4563 -5.4253 -5.4252 -4.6227 -4.6149 -4.5908 -4.5872 -4.5411 -4.5382 -2.8608 -2.8180 -2.7410 -2.7376 4.6672 4.7188 4.8011 4.8081 5.5436 5.5969 6.0211 6.0520 6.3370 6.5051 7.3014 7.3133 7.4360 7.4466 9.1126 9.1578 10.0189 10.1703 10.7607 10.7663 11.7553 11.7567 12.3894 12.3950 k = 0.3602 0.5308-0.0000 ( 3553 PWs) bands (ev): -45.2325 -45.2324 -22.8852 -22.8620 -20.8570 -20.8120 -20.7515 -20.7391 -5.4604 -5.4559 -5.4249 -5.4247 -4.6212 -4.6131 -4.5899 -4.5860 -4.5443 -4.5414 -2.8541 -2.8107 -2.7371 -2.7337 4.6588 4.7626 4.7946 4.8619 5.5575 5.6132 5.9317 5.9712 6.3356 6.5094 7.2871 7.3008 7.4645 7.4768 9.1752 9.2315 10.0204 10.1827 10.6264 10.6348 11.7162 11.7219 12.3722 12.3771 k = 0.3548 0.5401-0.0000 ( 3555 PWs) bands (ev): -45.2324 -45.2323 -22.8855 -22.8622 -20.8572 -20.8109 -20.7532 -20.7399 -5.4601 -5.4556 -5.4245 -5.4243 -4.6199 -4.6116 -4.5888 -4.5847 -4.5472 -4.5443 -2.8483 -2.8043 -2.7337 -2.7303 4.6508 4.7877 4.8034 4.9145 5.5674 5.6264 5.8526 5.9010 6.3356 6.5143 7.2734 7.2897 7.4917 7.5046 9.2325 9.3027 10.0096 10.1847 10.5156 10.5275 11.6821 11.6916 12.3586 12.3630 k = 0.3495 0.5494-0.0000 ( 3555 PWs) bands (ev): -45.2323 -45.2323 -22.8858 -22.8622 -20.8574 -20.8100 -20.7546 -20.7405 -5.4600 -5.4553 -5.4242 -5.4240 -4.6189 -4.6105 -4.5877 -4.5835 -4.5497 -4.5467 -2.8436 -2.7992 -2.7310 -2.7276 4.6441 4.7817 4.8389 4.9626 5.5707 5.6351 5.7883 5.8444 6.3363 6.5191 7.2614 7.2804 7.5157 7.5289 9.2815 9.3685 9.9841 10.1721 10.4342 10.4523 11.6538 11.6667 12.3485 12.3526 k = 0.3441 0.5587-0.0000 ( 3559 PWs) bands (ev): -45.2323 -45.2322 -22.8860 -22.8623 -20.8575 -20.8094 -20.7556 -20.7409 -5.4598 -5.4551 -5.4240 -5.4238 -4.6182 -4.6097 -4.5868 -4.5825 -4.5516 -4.5486 -2.8401 -2.7954 -2.7290 -2.7256 4.6389 4.7771 4.8668 5.0029 5.5652 5.6380 5.7446 5.8051 6.3375 6.5233 7.2520 7.2732 7.5350 7.5482 9.3183 9.4236 9.9490 10.1481 10.3834 10.4103 11.6326 11.6479 12.3417 12.3456 k = 0.3387 0.5680-0.0000 ( 3559 PWs) bands (ev): -45.2323 -45.2322 -22.8862 -22.8624 -20.8576 -20.8090 -20.7562 -20.7412 -5.4598 -5.4550 -5.4239 -5.4236 -4.6178 -4.6092 -4.5862 -4.5817 -4.5529 -4.5497 -2.8379 -2.7930 -2.7278 -2.7243 4.6357 4.7742 4.8847 5.0305 5.5539 5.6359 5.7230 5.7843 6.3384 6.5263 7.2460 7.2686 7.5479 7.5611 9.3399 9.4606 9.9184 10.1262 10.3576 10.3921 11.6193 11.6363 12.3379 12.3417 k = 0.3333 0.5774-0.0000 ( 3555 PWs) bands (ev): -45.2322 -45.2322 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4238 -5.4236 -4.6177 -4.6090 -4.5860 -4.5814 -4.5533 -4.5501 -2.8371 -2.7922 -2.7273 -2.7239 4.6346 4.7731 4.8908 5.0405 5.5477 5.6338 5.7175 5.7786 6.3389 6.5274 7.2438 7.2670 7.5526 7.5657 9.3464 9.4730 9.9068 10.1182 10.3500 10.3872 11.6148 11.6323 12.3367 12.3405 k = 0.3333 0.5774-0.0000 ( 3555 PWs) bands (ev): -45.2322 -45.2322 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4238 -5.4236 -4.6177 -4.6090 -4.5860 -4.5814 -4.5533 -4.5501 -2.8371 -2.7922 -2.7273 -2.7239 4.6346 4.7731 4.8908 5.0405 5.5477 5.6338 5.7175 5.7786 6.3389 6.5274 7.2438 7.2670 7.5526 7.5657 9.3464 9.4730 9.9068 10.1182 10.3500 10.3872 11.6148 11.6323 12.3367 12.3405 k = 0.3280 0.5680-0.0000 ( 3555 PWs) bands (ev): -45.2322 -45.2322 -22.8862 -22.8624 -20.8576 -20.8090 -20.7562 -20.7412 -5.4598 -5.4550 -5.4239 -5.4236 -4.6178 -4.6092 -4.5862 -4.5817 -4.5528 -4.5497 -2.8379 -2.7930 -2.7278 -2.7244 4.6358 4.7742 4.8848 5.0305 5.5556 5.6371 5.7212 5.7828 6.3383 6.5262 7.2461 7.2687 7.5474 7.5606 9.3421 9.4636 9.9163 10.1245 10.3572 10.3922 11.6194 11.6364 12.3377 12.3415 k = 0.3226 0.5587-0.0000 ( 3559 PWs) bands (ev): -45.2323 -45.2323 -22.8860 -22.8623 -20.8575 -20.8093 -20.7556 -20.7409 -5.4598 -5.4551 -5.4240 -5.4238 -4.6182 -4.6097 -4.5868 -4.5824 -4.5517 -4.5487 -2.8404 -2.7957 -2.7291 -2.7257 4.6395 4.7778 4.8677 5.0031 5.5778 5.6473 5.7311 5.7941 6.3366 6.5223 7.2529 7.2739 7.5312 7.5444 9.3344 9.4445 9.9357 10.1365 10.3799 10.4100 11.6330 11.6484 12.3403 12.3442 k = 0.3172 0.5494-0.0000 ( 3553 PWs) bands (ev): -45.2323 -45.2323 -22.8858 -22.8622 -20.8572 -20.8097 -20.7547 -20.7406 -5.4599 -5.4552 -5.4242 -5.4240 -4.6188 -4.6104 -4.5876 -4.5834 -4.5500 -4.5470 -2.8446 -2.8002 -2.7314 -2.7280 4.6459 4.7839 4.8420 4.9639 5.6074 5.6615 5.7482 5.8129 6.3335 6.5158 7.2644 7.2827 7.5035 7.5166 9.3304 9.4277 9.9521 10.1426 10.4204 10.4464 11.6552 11.6681 12.3439 12.3477 k = 0.3118 0.5401-0.0000 ( 3557 PWs) bands (ev): -45.2324 -45.2324 -22.8854 -22.8620 -20.8568 -20.8103 -20.7536 -20.7401 -5.4600 -5.4554 -5.4246 -5.4244 -4.6197 -4.6115 -4.5885 -4.5846 -4.5479 -4.5450 -2.8506 -2.8066 -2.7347 -2.7313 4.6550 4.7928 4.8104 4.9181 5.6342 5.6744 5.7770 5.8408 6.3289 6.5068 7.2798 7.2951 7.4651 7.4774 9.3354 9.4205 9.9581 10.1362 10.4793 10.5036 11.6850 11.6948 12.3476 12.3512 k = 0.3065 0.5308-0.0000 ( 3551 PWs) bands (ev): -45.2325 -45.2324 -22.8850 -22.8618 -20.8563 -20.8108 -20.7522 -20.7394 -5.4602 -5.4556 -5.4249 -5.4247 -4.6206 -4.6127 -4.5895 -4.5858 -4.5456 -4.5427 -2.8586 -2.8151 -2.7390 -2.7356 4.6666 4.7759 4.8045 4.8698 5.6508 5.6820 5.8204 5.8791 6.3229 6.4953 7.2974 7.3109 7.4188 7.4280 9.3518 9.4259 9.9527 10.1180 10.5547 10.5785 11.7215 11.7277 12.3503 12.3537 k = 0.3011 0.5215-0.0000 ( 3543 PWs) bands (ev): -45.2326 -45.2325 -22.8844 -22.8615 -20.8556 -20.8114 -20.7506 -20.7387 -5.4603 -5.4559 -5.4253 -5.4252 -4.6218 -4.6143 -4.5903 -4.5870 -4.5430 -4.5402 -2.8686 -2.8257 -2.7444 -2.7409 4.6797 4.7417 4.8140 4.8265 5.6565 5.6827 5.8759 5.9267 6.3158 6.4819 7.3065 7.3284 7.3721 7.3767 9.3804 9.4440 9.9386 10.0915 10.6431 10.6665 11.7632 11.7657 12.3510 12.3540 k = 0.2957 0.5122-0.0000 ( 3537 PWs) bands (ev): -45.2327 -45.2326 -22.8837 -22.8611 -20.8548 -20.8119 -20.7489 -20.7379 -5.4605 -5.4561 -5.4258 -5.4257 -4.6232 -4.6161 -4.5911 -4.5882 -4.5405 -4.5377 -2.8806 -2.8385 -2.7507 -2.7473 4.6833 4.7202 4.7721 4.8390 5.6540 5.6765 5.9386 5.9814 6.3078 6.4670 7.2721 7.3018 7.3573 7.3761 9.4199 9.4728 9.9201 10.0605 10.7414 10.7641 11.8076 11.8090 12.3483 12.3506 k = 0.2903 0.5029-0.0000 ( 3541 PWs) bands (ev): -45.2329 -45.2329 -22.8829 -22.8607 -20.8537 -20.8124 -20.7470 -20.7370 -5.4607 -5.4565 -5.4264 -5.4264 -4.6247 -4.6181 -4.5917 -4.5893 -4.5381 -4.5353 -2.8947 -2.8534 -2.7582 -2.7547 4.6580 4.7266 4.7319 4.8603 5.6449 5.6638 6.0050 6.0409 6.2996 6.4509 7.2110 7.2358 7.3815 7.4023 9.4682 9.5084 9.9024 10.0287 10.8471 10.8688 11.8524 11.8575 12.3409 12.3420 k = 0.2849 0.4935-0.0000 ( 3549 PWs) bands (ev): -45.2332 -45.2332 -22.8820 -22.8602 -20.8525 -20.8127 -20.7451 -20.7360 -5.4611 -5.4569 -5.4271 -5.4271 -4.6263 -4.6202 -4.5923 -4.5903 -4.5358 -4.5330 -2.9109 -2.8706 -2.7667 -2.7632 4.6257 4.6833 4.7556 4.8852 5.6300 5.6450 6.0719 6.1033 6.2923 6.4343 7.1451 7.1680 7.4095 7.4356 9.5211 9.5436 9.8931 10.0005 10.9586 10.9793 11.8987 11.9074 12.3269 12.3274 k = 0.2796 0.4842-0.0000 ( 3547 PWs) bands (ev): -45.2335 -45.2334 -22.8809 -22.8596 -20.8511 -20.8129 -20.7431 -20.7350 -5.4613 -5.4573 -5.4279 -5.4278 -4.6278 -4.6223 -4.5928 -4.5912 -4.5336 -4.5309 -2.9292 -2.8899 -2.7763 -2.7728 4.5938 4.6424 4.7840 4.9134 5.6095 5.6202 6.1356 6.1670 6.2883 6.4173 7.0802 7.1020 7.4399 7.4723 9.5684 9.5720 9.9024 9.9825 11.0747 11.0944 11.9454 11.9574 12.3044 12.3072 k = 0.2742 0.4749-0.0000 ( 3539 PWs) bands (ev): -45.2337 -45.2337 -22.8797 -22.8589 -20.8494 -20.8129 -20.7410 -20.7338 -5.4615 -5.4577 -5.4286 -5.4285 -4.6293 -4.6243 -4.5932 -4.5919 -4.5317 -4.5289 -2.9497 -2.9115 -2.7869 -2.7834 4.5634 4.6038 4.8164 4.9452 5.5839 5.5900 6.1875 6.2303 6.2948 6.4005 7.0197 7.0407 7.4723 7.5113 9.5741 9.6108 9.9387 9.9848 11.1946 11.2133 11.9911 12.0062 12.2744 12.2800 k = 0.2688 0.4656-0.0000 ( 3539 PWs) bands (ev): -45.2340 -45.2340 -22.8784 -22.8581 -20.8475 -20.8127 -20.7388 -20.7327 -5.4618 -5.4582 -5.4295 -5.4293 -4.6309 -4.6264 -4.5935 -4.5926 -4.5299 -4.5271 -2.9723 -2.9353 -2.7985 -2.7951 4.5345 4.5673 4.8523 4.9803 5.5534 5.5546 6.2134 6.2912 6.3246 6.3842 6.9664 6.9871 7.5062 7.5520 9.5610 9.6276 10.0018 10.0172 11.3174 11.3356 12.0344 12.0525 12.2374 12.2466 k = 0.2634 0.4563-0.0000 ( 3547 PWs) bands (ev): -45.2345 -45.2344 -22.8770 -22.8573 -20.8455 -20.8123 -20.7367 -20.7315 -5.4622 -5.4587 -5.4304 -5.4302 -4.6326 -4.6286 -4.5937 -4.5932 -4.5285 -4.5257 -2.9970 -2.9612 -2.8111 -2.8077 4.5067 4.5323 4.8917 5.0187 5.5151 5.5188 6.2178 6.3470 6.3686 6.3706 6.9235 6.9443 7.5412 7.5938 9.5353 9.6212 10.0803 10.0851 11.4425 11.4606 12.0727 12.0936 12.1961 12.2097 k = 0.2581 0.4470-0.0000 ( 3547 PWs) bands (ev): -45.2349 -45.2348 -22.8755 -22.8563 -20.8431 -20.8118 -20.7345 -20.7302 -5.4625 -5.4592 -5.4313 -5.4310 -4.6341 -4.6306 -4.5939 -4.5938 -4.5273 -4.5245 -3.0237 -2.9893 -2.8248 -2.8214 4.4793 4.4982 4.9344 5.0604 5.4725 5.4810 6.2149 6.3540 6.3940 6.4150 6.8947 6.9167 7.5770 7.6365 9.5030 9.5994 10.1665 10.1826 11.5689 11.5876 12.0979 12.1154 12.1650 12.1776 k = 0.2527 0.4377-0.0000 ( 3541 PWs) bands (ev): -45.2352 -45.2352 -22.8738 -22.8553 -20.8406 -20.8110 -20.7323 -20.7290 -5.4628 -5.4597 -5.4322 -5.4318 -4.6355 -4.6325 -4.5942 -4.5941 -4.5264 -4.5235 -3.0524 -3.0193 -2.8393 -2.8360 4.4515 4.4640 4.9804 5.1052 5.4285 5.4415 6.2104 6.3407 6.4279 6.4477 6.8840 6.9085 7.6133 7.6795 9.4677 9.5695 10.2679 10.2905 11.6944 11.7152 12.0824 12.0879 12.1742 12.1804 k = 0.2473 0.4284-0.0000 ( 3541 PWs) bands (ev): -45.2357 -45.2356 -22.8720 -22.8541 -20.8379 -20.8100 -20.7301 -20.7276 -5.4632 -5.4602 -5.4331 -5.4327 -4.6369 -4.6343 -4.5946 -4.5942 -4.5258 -4.5228 -3.0829 -3.0513 -2.8548 -2.8516 4.4222 4.4287 5.0295 5.1529 5.3850 5.4019 6.2065 6.3288 6.4455 6.4638 6.8942 6.9226 7.6497 7.7227 9.4316 9.5361 10.3799 10.4064 11.8133 11.8387 12.0360 12.0557 12.1910 12.2046 k = 0.2419 0.4190-0.0000 ( 3545 PWs) bands (ev): -45.2362 -45.2362 -22.8701 -22.8529 -20.8349 -20.8088 -20.7279 -20.7263 -5.4636 -5.4608 -5.4341 -5.4335 -4.6382 -4.6361 -4.5950 -4.5943 -4.5255 -4.5225 -3.1154 -3.0852 -2.8711 -2.8680 4.3901 4.3913 5.0813 5.2034 5.3442 5.3642 6.2039 6.3185 6.4472 6.4637 6.9240 6.9572 7.6859 7.7656 9.3960 9.5019 10.4993 10.5288 11.8967 11.9222 12.0240 12.0498 12.2061 12.2240 k = 0.2366 0.4097-0.0000 ( 3545 PWs) bands (ev): -45.2367 -45.2367 -22.8681 -22.8515 -20.8317 -20.8074 -20.7257 -20.7249 -5.4640 -5.4614 -5.4351 -5.4344 -4.6394 -4.6377 -4.5954 -4.5944 -4.5255 -4.5225 -3.1495 -3.1208 -2.8883 -2.8852 4.3504 4.3539 5.1353 5.2562 5.3088 5.3305 6.2031 6.3099 6.4367 6.4515 6.9690 7.0072 7.7217 7.8081 9.3618 9.4684 10.6244 10.6565 11.8939 11.8963 12.1075 12.1221 12.2148 12.2440 k = 0.2312 0.4004-0.0000 ( 3545 PWs) bands (ev): -45.2373 -45.2372 -22.8660 -22.8501 -20.8283 -20.8057 -20.7236 -20.7235 -5.4644 -5.4620 -5.4360 -5.4353 -4.6405 -4.6392 -4.5956 -4.5944 -4.5258 -4.5228 -3.1853 -3.1580 -2.9062 -2.9032 4.3052 4.3125 5.1894 5.2824 5.2977 5.3158 6.2045 6.3030 6.4185 6.4317 7.0240 7.0671 7.7568 7.8499 9.3296 9.4365 10.7534 10.7883 11.8452 11.8529 12.1635 12.1908 12.2456 12.2991 k = 0.2258 0.3911-0.0000 ( 3541 PWs) bands (ev): -45.2378 -45.2378 -22.8638 -22.8486 -20.8247 -20.8039 -20.7221 -20.7213 -5.4648 -5.4626 -5.4369 -5.4361 -4.6415 -4.6406 -4.5958 -4.5944 -4.5264 -4.5234 -3.2225 -3.1967 -2.9248 -2.9219 4.2548 4.2649 5.2292 5.2793 5.2809 5.3700 6.2083 6.2974 6.3962 6.4077 7.0850 7.1328 7.7909 7.8907 9.2999 9.4067 10.8850 10.9232 11.7920 11.8049 12.1629 12.1840 12.3312 12.3864 k = 0.2204 0.3818-0.0000 ( 3549 PWs) bands (ev): -45.2385 -45.2384 -22.8615 -22.8470 -20.8210 -20.8018 -20.7207 -20.7191 -5.4653 -5.4633 -5.4379 -5.4370 -4.6424 -4.6420 -4.5961 -4.5945 -4.5274 -4.5244 -3.2612 -3.2369 -2.9441 -2.9413 4.1990 4.2109 5.2322 5.2663 5.3276 5.4283 6.2143 6.2922 6.3731 6.3819 7.1492 7.2015 7.8240 7.9303 9.2729 9.3794 11.0171 11.0597 11.7402 11.7564 12.1436 12.1619 12.3988 12.4514 k = 0.2151 0.3725-0.0000 ( 3547 PWs) bands (ev): -45.2391 -45.2390 -22.8591 -22.8453 -20.8170 -20.7996 -20.7192 -20.7169 -5.4657 -5.4639 -5.4388 -5.4379 -4.6432 -4.6431 -4.5963 -4.5945 -4.5286 -4.5256 -3.3011 -3.2782 -2.9640 -2.9613 4.1377 4.1506 5.2321 5.2616 5.3886 5.4876 6.2217 6.2839 6.3538 6.3567 7.2149 7.2716 7.8557 7.9686 9.2490 9.3549 11.1469 11.1956 11.6912 11.7096 12.1207 12.1357 12.4409 12.4847 k = 0.2097 0.3632-0.0000 ( 3537 PWs) bands (ev): -45.2396 -45.2396 -22.8566 -22.8435 -20.8129 -20.7972 -20.7177 -20.7147 -5.4661 -5.4645 -5.4397 -5.4387 -4.6441 -4.6439 -4.5964 -4.5944 -4.5301 -4.5271 -3.3421 -3.3207 -2.9844 -2.9818 4.0714 4.0846 5.2394 5.2656 5.4527 5.5470 6.2273 6.2675 6.3362 6.3443 7.2807 7.3416 7.8860 8.0053 9.2282 9.3334 11.2698 11.3267 11.6469 11.6666 12.1020 12.1114 12.4664 12.5025 k = 0.2043 0.3539-0.0000 ( 3545 PWs) bands (ev): -45.2404 -45.2403 -22.8540 -22.8416 -20.8087 -20.7946 -20.7161 -20.7125 -5.4666 -5.4652 -5.4407 -5.4397 -4.6452 -4.6446 -4.5966 -4.5944 -4.5319 -4.5289 -3.3841 -3.3641 -3.0053 -3.0027 4.0008 4.0137 5.2550 5.2777 5.5181 5.6057 6.2241 6.2417 6.3285 6.3466 7.3458 7.4105 7.9146 8.0404 9.2109 9.3150 11.3767 11.4436 11.6115 11.6322 12.0945 12.0956 12.4845 12.5159 k = 0.1989 0.3445-0.0000 ( 3537 PWs) bands (ev): -45.2410 -45.2410 -22.8514 -22.8397 -20.8044 -20.7918 -20.7145 -20.7103 -5.4671 -5.4658 -5.4416 -5.4405 -4.6460 -4.6451 -4.5967 -4.5943 -4.5338 -4.5308 -3.4270 -3.4084 -3.0265 -3.0241 3.9267 3.9390 5.2784 5.2976 5.5837 5.6629 6.2067 6.2102 6.3399 6.3578 7.4093 7.4777 7.9416 8.0736 9.1971 9.2998 11.4470 11.5144 11.5982 11.6301 12.0968 12.1052 12.5017 12.5304 k = 0.1935 0.3352-0.0000 ( 3533 PWs) bands (ev): -45.2417 -45.2416 -22.8487 -22.8376 -20.7999 -20.7889 -20.7128 -20.7080 -5.4675 -5.4665 -5.4425 -5.4414 -4.6468 -4.6455 -4.5967 -4.5943 -4.5361 -4.5330 -3.4706 -3.4533 -3.0482 -3.0459 3.8498 3.8613 5.3089 5.3243 5.6486 5.7176 6.1755 6.1792 6.3672 6.3762 7.4707 7.5423 7.9669 8.1049 9.1870 9.2880 11.4592 11.5104 11.6214 11.6778 12.1234 12.1381 12.5242 12.5520 k = 0.1882 0.3259-0.0000 ( 3525 PWs) bands (ev): -45.2423 -45.2423 -22.8459 -22.8356 -20.7954 -20.7859 -20.7110 -20.7057 -5.4680 -5.4671 -5.4434 -5.4422 -4.6474 -4.6459 -4.5968 -4.5942 -4.5384 -4.5354 -3.5147 -3.4987 -3.0700 -3.0679 3.7711 3.7817 5.3456 5.3571 5.7118 5.7690 6.1389 6.1470 6.4013 6.4059 7.5292 7.6036 7.9903 8.1343 9.1808 9.2795 11.4400 11.4838 11.6529 11.7175 12.1741 12.1878 12.5610 12.5890 k = 0.1828 0.3166-0.0000 ( 3525 PWs) bands (ev): -45.2431 -45.2431 -22.8431 -22.8334 -20.7909 -20.7828 -20.7092 -20.7034 -5.4685 -5.4678 -5.4444 -5.4432 -4.6480 -4.6462 -4.5969 -4.5942 -4.5410 -4.5380 -3.5593 -3.5446 -3.0922 -3.0901 3.6912 3.7008 5.3876 5.3950 5.7722 5.8165 6.1013 6.1129 6.4336 6.4541 7.5845 7.6609 8.0121 8.1616 9.1788 9.2747 11.4142 11.4556 11.6739 11.7358 12.2302 12.2381 12.6246 12.6523 k = 0.1774 0.3073-0.0000 ( 3521 PWs) bands (ev): -45.2438 -45.2438 -22.8402 -22.8312 -20.7864 -20.7797 -20.7072 -20.7010 -5.4690 -5.4685 -5.4454 -5.4441 -4.6485 -4.6465 -4.5970 -4.5942 -4.5437 -4.5407 -3.6042 -3.5906 -3.1144 -3.1125 3.6108 3.6194 5.4339 5.4371 5.8287 5.8594 6.0637 6.0787 6.4732 6.5108 7.6357 7.7135 8.0320 8.1868 9.1811 9.2738 11.3889 11.4292 11.6864 11.7416 12.2717 12.2739 12.7234 12.7479 k = 0.1720 0.2980-0.0000 ( 3537 PWs) bands (ev): -45.2447 -45.2447 -22.8374 -22.8290 -20.7819 -20.7765 -20.7051 -20.6985 -5.4696 -5.4692 -5.4465 -5.4452 -4.6491 -4.6468 -4.5974 -4.5944 -4.5465 -4.5436 -3.6492 -3.6368 -3.1368 -3.1349 3.5303 3.5381 5.4818 5.4832 5.8797 5.8967 6.0278 6.0469 6.5206 6.5751 7.6826 7.7609 8.0503 8.2098 9.1882 9.2769 11.3660 11.4058 11.6954 11.7427 12.2924 12.2942 12.8525 12.8703 k = 0.1667 0.2887-0.0000 ( 3533 PWs) bands (ev): -45.2455 -45.2454 -22.8345 -22.8268 -20.7775 -20.7732 -20.7029 -20.6960 -5.4701 -5.4698 -5.4476 -5.4462 -4.6495 -4.6470 -4.5976 -4.5946 -4.5493 -4.5464 -3.6942 -3.6829 -3.1591 -3.1574 3.4503 3.4573 5.5273 5.5337 5.9208 5.9258 5.9995 6.0226 6.5757 6.6463 7.7246 7.8025 8.0669 8.2308 9.2002 9.2843 11.3465 11.3857 11.7045 11.7437 12.2983 12.3031 12.9990 13.0027 k = 0.1613 0.2794-0.0000 ( 3533 PWs) bands (ev): -45.2463 -45.2462 -22.8316 -22.8245 -20.7732 -20.7700 -20.7004 -20.6933 -5.4707 -5.4705 -5.4486 -5.4473 -4.6499 -4.6471 -4.5981 -4.5950 -4.5520 -4.5492 -3.7390 -3.7288 -3.1814 -3.1798 3.3712 3.3774 5.5704 5.5825 5.9326 5.9389 6.0005 6.0166 6.6381 6.7234 7.7612 7.8378 8.0818 8.2498 9.2175 9.2964 11.3306 11.3691 11.7156 11.7469 12.2964 12.3041 13.1006 13.1327 k = 0.1559 0.2701-0.0000 ( 3537 PWs) bands (ev): -45.2471 -45.2471 -22.8287 -22.8221 -20.7690 -20.7668 -20.6978 -20.6905 -5.4712 -5.4712 -5.4498 -5.4484 -4.6502 -4.6473 -4.5987 -4.5955 -4.5546 -4.5519 -3.7836 -3.7744 -3.2037 -3.2022 3.2932 3.2987 5.6061 5.6241 5.9208 5.9379 6.0311 6.0326 6.7072 6.8054 7.7924 7.8666 8.0953 8.2667 9.2401 9.3133 11.3185 11.3562 11.7300 11.7534 12.2899 12.3006 13.1250 13.1753 k = 0.1505 0.2607-0.0000 ( 3545 PWs) bands (ev): -45.2480 -45.2479 -22.8258 -22.8198 -20.7650 -20.7637 -20.6950 -20.6876 -5.4719 -5.4718 -5.4510 -5.4496 -4.6506 -4.6476 -4.5996 -4.5962 -4.5570 -4.5545 -3.8279 -3.8196 -3.2257 -3.2243 3.2167 3.2215 5.6275 5.6494 5.9196 5.9429 6.0578 6.0660 6.7820 6.8915 7.8177 7.8890 8.1072 8.2819 9.2680 9.3351 11.3102 11.3468 11.7482 11.7637 12.2809 12.2949 13.1198 13.1716 k = 0.1452 0.2514-0.0000 ( 3545 PWs) bands (ev): -45.2488 -45.2487 -22.8229 -22.8175 -20.7613 -20.7607 -20.6919 -20.6846 -5.4725 -5.4723 -5.4522 -5.4508 -4.6509 -4.6477 -4.6008 -4.5973 -4.5591 -4.5568 -3.8716 -3.8642 -3.2476 -3.2463 3.1419 3.1461 5.6295 5.6512 5.9418 5.9656 6.0857 6.1004 6.8615 6.9807 7.8373 7.9049 8.1178 8.2954 9.3011 9.3617 11.3059 11.3411 11.7703 11.7779 12.2707 12.2884 13.1060 13.1588 k = 0.1398 0.2421-0.0000 ( 3547 PWs) bands (ev): -45.2496 -45.2496 -22.8201 -22.8151 -20.7578 -20.7578 -20.6886 -20.6815 -5.4732 -5.4729 -5.4534 -5.4520 -4.6512 -4.6479 -4.6022 -4.5986 -4.5610 -4.5588 -3.9147 -3.9081 -3.2691 -3.2680 3.0689 3.0726 5.6138 5.6324 5.9847 6.0057 6.1150 6.1345 6.9447 7.0725 7.8512 7.9148 8.1272 8.3075 9.3390 9.3929 11.3055 11.3391 11.7959 11.7962 12.2603 12.2820 13.0879 13.1422 k = 0.1344 0.2328-0.0000 ( 3535 PWs) bands (ev): -45.2503 -45.2502 -22.8173 -22.8128 -20.7550 -20.7545 -20.6851 -20.6782 -5.4737 -5.4734 -5.4546 -5.4532 -4.6514 -4.6479 -4.6039 -4.6002 -4.5623 -4.5602 -3.9570 -3.9512 -3.2904 -3.2893 2.9979 3.0012 5.5862 5.6010 6.0389 6.0562 6.1473 6.1698 7.0307 7.1659 7.8596 7.9190 8.1358 8.3186 9.3810 9.4285 11.3091 11.3408 11.8173 11.8256 12.2504 12.2766 13.0670 13.1232 k = 0.1290 0.2235-0.0000 ( 3535 PWs) bands (ev): -45.2510 -45.2510 -22.8145 -22.8105 -20.7524 -20.7515 -20.6813 -20.6747 -5.4744 -5.4739 -5.4558 -5.4545 -4.6517 -4.6482 -4.6061 -4.6022 -4.5633 -4.5614 -3.9985 -3.9934 -3.3112 -3.3103 2.9291 2.9320 5.5515 5.5632 6.0951 6.1076 6.1869 6.2097 7.1186 7.2604 7.8629 7.9180 8.1438 8.3290 9.4267 9.4678 11.3167 11.3462 11.8417 11.8582 12.2417 12.2727 13.0440 13.1021 k = 0.1237 0.2142-0.0000 ( 3531 PWs) bands (ev): -45.2518 -45.2518 -22.8118 -22.8082 -20.7499 -20.7488 -20.6774 -20.6711 -5.4749 -5.4744 -5.4572 -5.4559 -4.6520 -4.6484 -4.6085 -4.6045 -4.5638 -4.5621 -4.0390 -4.0346 -3.3317 -3.3308 2.8627 2.8651 5.5129 5.5223 6.1451 6.1505 6.2401 6.2594 7.2075 7.3554 7.8616 7.9123 8.1516 8.3389 9.4753 9.5104 11.3282 11.3554 11.8687 11.8934 12.2345 12.2709 13.0193 13.0794 k = 0.1183 0.2049-0.0000 ( 3527 PWs) bands (ev): -45.2525 -45.2525 -22.8091 -22.8060 -20.7476 -20.7464 -20.6732 -20.6674 -5.4755 -5.4749 -5.4585 -5.4573 -4.6523 -4.6486 -4.6112 -4.6071 -4.5641 -4.5625 -4.0784 -4.0746 -3.3516 -3.3508 2.7985 2.8006 5.4724 5.4799 6.1836 6.1850 6.3063 6.3212 7.2968 7.4502 7.8562 7.9026 8.1595 8.3488 9.5260 9.5556 11.3436 11.3682 11.8977 11.9309 12.2295 12.2716 12.9932 13.0553 k = 0.1129 0.1956-0.0000 ( 3527 PWs) bands (ev): -45.2533 -45.2533 -22.8065 -22.8037 -20.7455 -20.7442 -20.6689 -20.6637 -5.4760 -5.4754 -5.4600 -5.4587 -4.6527 -4.6490 -4.6141 -4.6100 -4.5640 -4.5626 -4.1166 -4.1134 -3.3710 -3.3703 2.7369 2.7387 5.4309 5.4370 6.2112 6.2166 6.3797 6.3922 7.3858 7.5443 7.8471 7.8895 8.1678 8.3589 9.5781 9.6026 11.3629 11.3848 11.9283 11.9699 12.2270 12.2752 12.9658 13.0299 k = 0.1075 0.1862-0.0000 ( 3531 PWs) bands (ev): -45.2540 -45.2540 -22.8040 -22.8016 -20.7435 -20.7423 -20.6646 -20.6598 -5.4766 -5.4759 -5.4614 -5.4602 -4.6532 -4.6494 -4.6172 -4.6130 -4.5637 -4.5625 -4.1536 -4.1509 -3.3898 -3.3892 2.6778 2.6794 5.3893 5.3942 6.2359 6.2432 6.4568 6.4683 7.4738 7.6372 7.8351 7.8736 8.1767 8.3695 9.6308 9.6508 11.3862 11.4052 11.9600 12.0099 12.2276 12.2821 12.9374 13.0033 k = 0.1022 0.1769-0.0000 ( 3535 PWs) bands (ev): -45.2548 -45.2548 -22.8016 -22.7995 -20.7418 -20.7406 -20.6601 -20.6559 -5.4771 -5.4764 -5.4629 -5.4617 -4.6537 -4.6500 -4.6204 -4.6162 -4.5632 -4.5621 -4.1892 -4.1869 -3.4080 -3.4075 2.6214 2.6227 5.3481 5.3521 6.2587 6.2667 6.5360 6.5470 7.5602 7.7282 7.8207 7.8556 8.1865 8.3807 9.6834 9.6995 11.4134 11.4294 11.9926 12.0502 12.2316 12.2922 12.9080 12.9756 k = 0.0968 0.1676-0.0000 ( 3525 PWs) bands (ev): -45.2554 -45.2554 -22.7992 -22.7974 -20.7401 -20.7390 -20.6556 -20.6519 -5.4776 -5.4769 -5.4643 -5.4632 -4.6543 -4.6505 -4.6235 -4.6193 -4.5625 -4.5615 -4.2233 -4.2214 -3.4256 -3.4251 2.5676 2.5686 5.3076 5.3108 6.2801 6.2880 6.6160 6.6270 7.6444 7.8046 7.8155 7.8372 8.1972 8.3927 9.7353 9.7480 11.4445 11.4575 12.0256 12.0900 12.2397 12.3057 12.8779 12.9468 k = 0.0914 0.1583-0.0000 ( 3527 PWs) bands (ev): -45.2561 -45.2561 -22.7970 -22.7954 -20.7387 -20.7377 -20.6512 -20.6479 -5.4781 -5.4774 -5.4658 -5.4647 -4.6550 -4.6513 -4.6266 -4.6225 -4.5616 -4.5608 -4.2558 -4.2544 -3.4424 -3.4420 2.5165 2.5174 5.2681 5.2707 6.3001 6.3075 6.6962 6.7072 7.7248 7.7884 7.8143 7.9034 8.2090 8.4057 9.7858 9.7957 11.4795 11.4894 12.0590 12.1284 12.2524 12.3223 12.8471 12.9170 k = 0.0860 0.1490-0.0000 ( 3523 PWs) bands (ev): -45.2567 -45.2567 -22.7948 -22.7935 -20.7373 -20.7365 -20.6467 -20.6440 -5.4785 -5.4778 -5.4673 -5.4662 -4.6558 -4.6522 -4.6297 -4.6257 -4.5606 -4.5599 -4.2867 -4.2856 -3.4585 -3.4581 2.4681 2.4689 5.2299 5.2320 6.3189 6.3256 6.7759 6.7870 7.7635 7.7930 7.8099 7.9856 8.2221 8.4196 9.8346 9.8420 11.5182 11.5251 12.0928 12.1645 12.2703 12.3417 12.8158 12.8862 k = 0.0806 0.1397-0.0000 ( 3517 PWs) bands (ev): -45.2573 -45.2573 -22.7928 -22.7917 -20.7362 -20.7354 -20.6424 -20.6401 -5.4789 -5.4782 -5.4687 -5.4677 -4.6568 -4.6534 -4.6325 -4.6287 -4.5596 -4.5590 -4.3159 -4.3150 -3.4738 -3.4735 2.4226 2.4232 5.1932 5.1948 6.3363 6.3423 6.8545 6.8656 7.7467 7.7712 7.8828 8.0637 8.2367 8.4344 9.8810 9.8865 11.5606 11.5645 12.1270 12.1974 12.2939 12.3635 12.7841 12.8544 k = 0.0753 0.1304-0.0000 ( 3519 PWs) bands (ev): -45.2579 -45.2579 -22.7908 -22.7900 -20.7351 -20.7345 -20.6382 -20.6363 -5.4794 -5.4787 -5.4701 -5.4692 -4.6579 -4.6548 -4.6352 -4.6316 -4.5585 -4.5580 -4.3433 -4.3426 -3.4883 -3.4880 2.3799 2.3804 5.1581 5.1594 6.3525 6.3576 6.9316 6.9426 7.7279 7.7495 7.9538 8.1366 8.2534 8.4502 9.9248 9.9288 11.6066 11.6076 12.1617 12.2275 12.3222 12.3871 12.7522 12.8216 k = 0.0699 0.1211-0.0000 ( 3513 PWs) bands (ev): -45.2584 -45.2584 -22.7890 -22.7883 -20.7342 -20.7336 -20.6342 -20.6326 -5.4798 -5.4791 -5.4714 -5.4706 -4.6592 -4.6564 -4.6376 -4.6344 -4.5574 -4.5569 -4.3688 -4.3683 -3.5019 -3.5017 2.3400 2.3404 5.1249 5.1259 6.3673 6.3716 7.0066 7.0174 7.7090 7.7283 8.0207 8.2018 8.2741 8.4669 9.9657 9.9685 11.6542 11.6558 12.1968 12.2556 12.3540 12.4119 12.7205 12.7879 k = 0.0645 0.1117-0.0000 ( 3513 PWs) bands (ev): -45.2589 -45.2589 -22.7873 -22.7868 -20.7334 -20.7329 -20.6303 -20.6291 -5.4802 -5.4795 -5.4728 -5.4720 -4.6608 -4.6584 -4.6398 -4.6370 -4.5563 -4.5559 -4.3924 -4.3921 -3.5147 -3.5145 2.3030 2.3033 5.0936 5.0944 6.3809 6.3844 7.0789 7.0894 7.6906 7.7078 8.0830 8.2520 8.3057 8.4842 10.0035 10.0053 11.7042 11.7082 12.2323 12.2828 12.3874 12.4373 12.6891 12.7536 k = 0.0591 0.1024-0.0000 ( 3505 PWs) bands (ev): -45.2593 -45.2593 -22.7858 -22.7853 -20.7326 -20.7323 -20.6267 -20.6257 -5.4805 -5.4798 -5.4740 -5.4733 -4.6626 -4.6606 -4.6416 -4.6393 -4.5552 -4.5549 -4.4139 -4.4138 -3.5265 -3.5264 2.2689 2.2692 5.0644 5.0650 6.3932 6.3959 7.1480 7.1581 7.6729 7.6882 8.1405 8.2824 8.3525 8.5021 10.0379 10.0391 11.7572 11.7633 12.2680 12.3098 12.4209 12.4629 12.6586 12.7189 k = 0.0538 0.0931-0.0000 ( 3503 PWs) bands (ev): -45.2597 -45.2597 -22.7843 -22.7840 -20.7320 -20.7317 -20.6233 -20.6226 -5.4808 -5.4802 -5.4752 -5.4745 -4.6646 -4.6630 -4.6433 -4.6414 -4.5541 -4.5539 -4.4335 -4.4334 -3.5375 -3.5374 2.2377 2.2379 5.0374 5.0379 6.4042 6.4063 7.2134 7.2230 7.6563 7.6698 8.1927 8.3040 8.4031 8.5203 10.0690 10.0697 11.8128 11.8206 12.3032 12.3364 12.4534 12.4883 12.6297 12.6842 k = 0.0484 0.0838-0.0000 ( 3507 PWs) bands (ev): -45.2602 -45.2602 -22.7830 -22.7828 -20.7314 -20.7312 -20.6202 -20.6196 -5.4811 -5.4806 -5.4764 -5.4758 -4.6669 -4.6657 -4.6448 -4.6433 -4.5531 -4.5530 -4.4510 -4.4510 -3.5474 -3.5473 2.2095 2.2096 5.0127 5.0130 6.4139 6.4155 7.2745 7.2834 7.6410 7.6528 8.2397 8.3230 8.4508 8.5386 10.0968 10.0972 11.8707 11.8799 12.3374 12.3624 12.4835 12.5129 12.6039 12.6504 k = 0.0430 0.0745-0.0000 ( 3511 PWs) bands (ev): -45.2606 -45.2606 -22.7818 -22.7817 -20.7310 -20.7308 -20.6173 -20.6169 -5.4814 -5.4810 -5.4774 -5.4769 -4.6693 -4.6685 -4.6460 -4.6450 -4.5522 -4.5521 -4.4665 -4.4665 -3.5564 -3.5563 2.1842 2.1842 4.9904 4.9906 6.4225 6.4236 7.3307 7.3389 7.6272 7.6374 8.2812 8.3410 8.4936 8.5566 10.1212 10.1214 11.9302 11.9403 12.3695 12.3870 12.5079 12.5361 12.5846 12.6185 k = 0.0376 0.0652-0.0000 ( 3515 PWs) bands (ev): -45.2610 -45.2610 -22.7808 -22.7807 -20.7306 -20.7305 -20.6148 -20.6145 -5.4817 -5.4813 -5.4784 -5.4779 -4.6718 -4.6713 -4.6471 -4.6464 -4.5514 -4.5513 -4.4799 -4.4799 -3.5644 -3.5643 2.1618 2.1619 4.9705 4.9706 6.4298 6.4306 7.3815 7.3887 7.6152 7.6238 8.3172 8.3579 8.5312 8.5741 10.1424 10.1425 11.9909 12.0014 12.3984 12.4088 12.5182 12.5547 12.5808 12.5926 k = 0.0323 0.0559-0.0000 ( 3519 PWs) bands (ev): -45.2613 -45.2613 -22.7799 -22.7798 -20.7302 -20.7302 -20.6125 -20.6124 -5.4820 -5.4816 -5.4792 -5.4789 -4.6743 -4.6740 -4.6481 -4.6476 -4.5507 -4.5507 -4.4913 -4.4913 -3.5713 -3.5713 2.1424 2.1424 4.9531 4.9532 6.4361 6.4366 7.4261 7.4323 7.6053 7.6123 8.3477 8.3737 8.5633 8.5907 10.1605 10.1605 12.0520 12.0623 12.4221 12.4256 12.5137 12.5510 12.5919 12.5950 k = 0.0269 0.0466-0.0000 ( 3511 PWs) bands (ev): -45.2615 -45.2615 -22.7791 -22.7791 -20.7299 -20.7299 -20.6106 -20.6105 -5.4821 -5.4819 -5.4798 -5.4796 -4.6766 -4.6765 -4.6489 -4.6486 -4.5500 -4.5500 -4.5008 -4.5007 -3.5772 -3.5772 2.1260 2.1260 4.9383 4.9384 6.4413 6.4416 7.4639 7.4688 7.5979 7.6034 8.3729 8.3881 8.5900 8.6060 10.1755 10.1755 12.1127 12.1221 12.4341 12.4376 12.5093 12.5346 12.6089 12.6147 k = 0.0215 0.0372-0.0000 ( 3511 PWs) bands (ev): -45.2617 -45.2617 -22.7785 -22.7785 -20.7297 -20.7297 -20.6090 -20.6090 -5.4823 -5.4821 -5.4804 -5.4802 -4.6788 -4.6787 -4.6496 -4.6494 -4.5494 -4.5494 -4.5084 -4.5083 -3.5820 -3.5820 2.1125 2.1125 4.9262 4.9262 6.4455 6.4456 7.4939 7.4974 7.5937 7.5974 8.3929 8.4007 8.6112 8.6195 10.1876 10.1876 12.1719 12.1799 12.4322 12.4407 12.5126 12.5262 12.6255 12.6329 k = 0.0161 0.0279-0.0000 ( 3511 PWs) bands (ev): -45.2618 -45.2618 -22.7780 -22.7780 -20.7296 -20.7296 -20.6078 -20.6078 -5.4824 -5.4824 -5.4807 -5.4807 -4.6805 -4.6805 -4.6501 -4.6500 -4.5490 -4.5490 -4.5142 -4.5141 -3.5858 -3.5858 2.1020 2.1020 4.9167 4.9167 6.4487 6.4487 7.5153 7.5172 7.5930 7.5951 8.4079 8.4112 8.6273 8.6308 10.1969 10.1969 12.2285 12.2344 12.4232 12.4313 12.5213 12.5279 12.6370 12.6455 k = 0.0108 0.0186-0.0000 ( 3513 PWs) bands (ev): -45.2620 -45.2620 -22.7777 -22.7777 -20.7294 -20.7294 -20.6069 -20.6069 -5.4826 -5.4826 -5.4810 -5.4810 -4.6819 -4.6819 -4.6505 -4.6505 -4.5486 -4.5486 -4.5182 -4.5182 -3.5885 -3.5885 2.0946 2.0946 4.9099 4.9099 6.4509 6.4509 7.5281 7.5287 7.5954 7.5961 8.4182 8.4192 8.6384 8.6394 10.2035 10.2035 12.2807 12.2841 12.4097 12.4144 12.5317 12.5345 12.6347 12.6409 k = 0.0054 0.0093-0.0000 ( 3509 PWs) bands (ev): -45.2620 -45.2620 -22.7775 -22.7775 -20.7294 -20.7294 -20.6064 -20.6064 -5.4827 -5.4827 -5.4811 -5.4811 -4.6827 -4.6827 -4.6507 -4.6507 -4.5484 -4.5484 -4.5206 -4.5206 -3.5902 -3.5902 2.0901 2.0901 4.9058 4.9058 6.4522 6.4522 7.5340 7.5341 7.5985 7.5986 8.4241 8.4243 8.6448 8.6449 10.2074 10.2074 12.3260 12.3270 12.3913 12.3926 12.5414 12.5419 12.6183 12.6193 k = 0.0000 0.0000 0.0000 ( 3501 PWs) bands (ev): -45.2620 -45.2620 -22.7774 -22.7774 -20.7293 -20.7293 -20.6062 -20.6062 -5.4827 -5.4827 -5.4811 -5.4811 -4.6830 -4.6830 -4.6507 -4.6507 -4.5484 -4.5484 -4.5214 -4.5214 -3.5907 -3.5907 2.0886 2.0886 4.9044 4.9044 6.4527 6.4527 7.5356 7.5356 7.5998 7.5998 8.4260 8.4260 8.6469 8.6469 10.2087 10.2087 12.3562 12.3562 12.3709 12.3709 12.5459 12.5459 12.6090 12.6090 k = 0.0000 0.0000 0.0000 ( 3501 PWs) bands (ev): -45.2620 -45.2620 -22.7774 -22.7774 -20.7293 -20.7293 -20.6062 -20.6062 -5.4827 -5.4827 -5.4811 -5.4811 -4.6830 -4.6830 -4.6507 -4.6507 -4.5484 -4.5484 -4.5214 -4.5214 -3.5907 -3.5907 2.0886 2.0886 4.9044 4.9044 6.4527 6.4527 7.5356 7.5356 7.5998 7.5998 8.4260 8.4260 8.6469 8.6469 10.2087 10.2087 12.3562 12.3562 12.3709 12.3709 12.5459 12.5459 12.6090 12.6090 k = 0.0000 0.0000 0.0108 ( 3501 PWs) bands (ev): -45.2620 -45.2620 -22.7774 -22.7774 -20.7293 -20.7293 -20.6062 -20.6062 -5.4827 -5.4827 -5.4811 -5.4811 -4.6828 -4.6828 -4.6507 -4.6507 -4.5484 -4.5484 -4.5217 -4.5217 -3.5908 -3.5908 2.0909 2.0909 4.8912 4.8912 6.4687 6.4687 7.5357 7.5357 7.5998 7.5998 8.4260 8.4260 8.6468 8.6469 10.2030 10.2030 12.3559 12.3559 12.3691 12.3691 12.5456 12.5462 12.6067 12.6067 k = 0.0000 0.0000 0.0217 ( 3501 PWs) bands (ev): -45.2620 -45.2620 -22.7774 -22.7774 -20.7293 -20.7293 -20.6062 -20.6062 -5.4826 -5.4826 -5.4811 -5.4811 -4.6820 -4.6820 -4.6507 -4.6507 -4.5484 -4.5484 -4.5223 -4.5223 -3.5913 -3.5913 2.0980 2.0980 4.8531 4.8531 6.5151 6.5151 7.5362 7.5362 7.5998 7.5998 8.4259 8.4259 8.6468 8.6468 10.1859 10.1859 12.3542 12.3542 12.3643 12.3643 12.5452 12.5464 12.6002 12.6002 k = 0.0000 0.0000 0.0325 ( 3513 PWs) bands (ev): -45.2621 -45.2621 -22.7774 -22.7774 -20.7293 -20.7293 -20.6062 -20.6062 -5.4825 -5.4825 -5.4812 -5.4812 -4.6809 -4.6809 -4.6508 -4.6508 -4.5484 -4.5484 -4.5235 -4.5235 -3.5920 -3.5920 2.1096 2.1096 4.7945 4.7945 6.5875 6.5875 7.5371 7.5371 7.5998 7.5998 8.4259 8.4259 8.6467 8.6467 10.1573 10.1573 12.3474 12.3474 12.3601 12.3601 12.5449 12.5465 12.5908 12.5908 k = 0.0000 0.0000 0.0433 ( 3513 PWs) bands (ev): -45.2621 -45.2621 -22.7774 -22.7774 -20.7293 -20.7293 -20.6062 -20.6062 -5.4824 -5.4824 -5.4813 -5.4813 -4.6792 -4.6792 -4.6508 -4.6508 -4.5484 -4.5484 -4.5250 -4.5250 -3.5929 -3.5929 2.1256 2.1256 4.7206 4.7206 6.6807 6.6807 7.5385 7.5385 7.5998 7.5999 8.4257 8.4257 8.6465 8.6466 10.1173 10.1173 12.3332 12.3332 12.3586 12.3586 12.5445 12.5466 12.5799 12.5799 k = 0.0000 0.0000 0.0542 ( 3525 PWs) bands (ev): -45.2622 -45.2622 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4823 -5.4823 -5.4813 -5.4813 -4.6773 -4.6773 -4.6509 -4.6509 -4.5486 -4.5486 -4.5269 -4.5269 -3.5941 -3.5941 2.1458 2.1458 4.6362 4.6362 6.7895 6.7895 7.5406 7.5406 7.5999 7.5999 8.4256 8.4256 8.6464 8.6465 10.0659 10.0659 12.3135 12.3135 12.3579 12.3579 12.5442 12.5466 12.5692 12.5692 k = 0.0000 0.0000 0.0650 ( 3543 PWs) bands (ev): -45.2623 -45.2623 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4823 -5.4823 -5.4814 -5.4814 -4.6750 -4.6750 -4.6510 -4.6510 -4.5487 -4.5487 -4.5292 -4.5292 -3.5954 -3.5954 2.1699 2.1699 4.5457 4.5457 6.9095 6.9095 7.5438 7.5438 7.5999 7.5999 8.4254 8.4254 8.6462 8.6463 10.0034 10.0034 12.2898 12.2898 12.3574 12.3574 12.5438 12.5466 12.5596 12.5596 k = 0.0000 0.0000 0.0758 ( 3543 PWs) bands (ev): -45.2623 -45.2623 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4821 -5.4821 -5.4814 -5.4814 -4.6722 -4.6722 -4.6510 -4.6510 -4.5487 -4.5487 -4.5318 -4.5318 -3.5969 -3.5969 2.1973 2.1973 4.4522 4.4522 7.0367 7.0367 7.5492 7.5492 7.5999 7.6000 8.4252 8.4252 8.6460 8.6462 9.9299 9.9299 12.2634 12.2634 12.3570 12.3570 12.5436 12.5465 12.5517 12.5517 k = 0.0000 0.0000 0.0866 ( 3531 PWs) bands (ev): -45.2622 -45.2622 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4818 -5.4818 -5.4813 -5.4813 -4.6691 -4.6691 -4.6509 -4.6509 -4.5486 -4.5486 -4.5347 -4.5347 -3.5984 -3.5984 2.2277 2.2277 4.3585 4.3585 7.1663 7.1663 7.5588 7.5588 7.6000 7.6000 8.4251 8.4251 8.6458 8.6460 9.8461 9.8461 12.2356 12.2356 12.3566 12.3566 12.5433 12.5455 12.5455 12.5463 k = 0.0000 0.0000 0.0975 ( 3519 PWs) bands (ev): -45.2621 -45.2621 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4815 -5.4815 -5.4813 -5.4813 -4.6658 -4.6658 -4.6508 -4.6508 -4.5486 -4.5486 -4.5378 -4.5378 -3.5999 -3.5999 2.2603 2.2603 4.2667 4.2667 7.2906 7.2906 7.5784 7.5784 7.6000 7.6001 8.4249 8.4249 8.6457 8.6458 9.7526 9.7526 12.2080 12.2080 12.3563 12.3563 12.5409 12.5409 12.5432 12.5461 k = 0.0000 0.0000 0.1083 ( 3513 PWs) bands (ev): -45.2621 -45.2621 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4813 -5.4813 -5.4812 -5.4812 -4.6624 -4.6624 -4.6508 -4.6508 -4.5485 -4.5485 -4.5409 -4.5409 -3.6015 -3.6015 2.2942 2.2942 4.1788 4.1788 7.3927 7.3927 7.6001 7.6001 7.6231 7.6231 8.4247 8.4247 8.6455 8.6456 9.6504 9.6504 12.1818 12.1818 12.3560 12.3560 12.5376 12.5376 12.5430 12.5459 k = 0.0000 0.0000 0.1191 ( 3512 PWs) bands (ev): -45.2621 -45.2621 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4812 -5.4812 -5.4810 -5.4810 -4.6591 -4.6591 -4.6508 -4.6508 -4.5485 -4.5485 -4.5441 -4.5441 -3.6029 -3.6029 2.3283 2.3283 4.0967 4.0967 7.4523 7.4523 7.6001 7.6002 7.7117 7.7117 8.4244 8.4244 8.6453 8.6455 9.5408 9.5408 12.1578 12.1578 12.3557 12.3557 12.5352 12.5352 12.5429 12.5456 k = 0.0000 0.0000 0.1300 ( 3512 PWs) bands (ev): -45.2621 -45.2621 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4812 -5.4812 -5.4809 -5.4809 -4.6558 -4.6558 -4.6508 -4.6508 -4.5485 -4.5485 -4.5472 -4.5472 -3.6042 -3.6042 2.3615 2.3615 4.0222 4.0222 7.4787 7.4787 7.6002 7.6002 7.8329 7.8329 8.4242 8.4242 8.6452 8.6453 9.4256 9.4256 12.1368 12.1368 12.3555 12.3555 12.5335 12.5335 12.5429 12.5452 k = 0.0000 0.0000 0.1408 ( 3536 PWs) bands (ev): -45.2623 -45.2623 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4813 -5.4813 -5.4809 -5.4809 -4.6531 -4.6531 -4.6508 -4.6508 -4.5501 -4.5501 -4.5488 -4.5488 -3.6054 -3.6054 2.3922 2.3922 3.9572 3.9572 7.4907 7.4907 7.6002 7.6002 7.9654 7.9654 8.4240 8.4240 8.6450 8.6451 9.3072 9.3072 12.1193 12.1193 12.3552 12.3552 12.5324 12.5324 12.5429 12.5449 k = 0.0000 0.0000 0.1516 ( 3536 PWs) bands (ev): -45.2623 -45.2623 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4813 -5.4813 -5.4808 -5.4808 -4.6508 -4.6508 -4.6505 -4.6505 -4.5526 -4.5526 -4.5488 -4.5488 -3.6063 -3.6063 2.4187 2.4187 3.9037 3.9037 7.4969 7.4969 7.6002 7.6003 8.0969 8.0969 8.4237 8.4237 8.6449 8.6450 9.1898 9.1898 12.1054 12.1054 12.3550 12.3550 12.5316 12.5316 12.5430 12.5445 k = 0.0000 0.0000 0.1625 ( 3524 PWs) bands (ev): -45.2622 -45.2622 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4813 -5.4813 -5.4806 -5.4806 -4.6508 -4.6508 -4.6484 -4.6484 -4.5545 -4.5545 -4.5487 -4.5487 -3.6070 -3.6070 2.4393 2.4393 3.8638 3.8638 7.5003 7.5003 7.6003 7.6003 8.2170 8.2170 8.4231 8.4231 8.6449 8.6449 9.0810 9.0810 12.0954 12.0954 12.3549 12.3549 12.5312 12.5312 12.5432 12.5442 k = 0.0000 0.0000 0.1733 ( 3524 PWs) bands (ev): -45.2622 -45.2622 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4813 -5.4813 -5.4805 -5.4805 -4.6508 -4.6508 -4.6471 -4.6471 -4.5557 -4.5557 -4.5487 -4.5487 -3.6074 -3.6074 2.4524 2.4524 3.8390 3.8390 7.5020 7.5020 7.6003 7.6003 8.3095 8.3095 8.4221 8.4221 8.6448 8.6449 8.9963 8.9963 12.0894 12.0894 12.3548 12.3548 12.5309 12.5309 12.5434 12.5439 k = 0.0000 0.0000 0.1841 ( 3530 PWs) bands (ev): -45.2622 -45.2622 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4813 -5.4813 -5.4806 -5.4806 -4.6508 -4.6508 -4.6468 -4.6468 -4.5561 -4.5561 -4.5487 -4.5487 -3.6076 -3.6076 2.4569 2.4569 3.8306 3.8306 7.5025 7.5025 7.6003 7.6003 8.3471 8.3471 8.4209 8.4209 8.6448 8.6448 8.9621 8.9621 12.0874 12.0874 12.3548 12.3548 12.5309 12.5309 12.5436 12.5436 k = 0.0000 0.0000 0.1841 ( 3530 PWs) bands (ev): -45.2622 -45.2622 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4813 -5.4813 -5.4806 -5.4806 -4.6508 -4.6508 -4.6468 -4.6468 -4.5561 -4.5561 -4.5487 -4.5487 -3.6076 -3.6076 2.4569 2.4569 3.8306 3.8306 7.5025 7.5025 7.6003 7.6003 8.3471 8.3471 8.4209 8.4209 8.6448 8.6448 8.9621 8.9621 12.0874 12.0874 12.3548 12.3548 12.5309 12.5309 12.5436 12.5436 k = 0.0093 0.0053 0.1841 ( 3530 PWs) bands (ev): -45.2622 -45.2622 -22.7775 -22.7775 -20.7294 -20.7294 -20.6064 -20.6064 -5.4812 -5.4812 -5.4805 -5.4805 -4.6507 -4.6507 -4.6468 -4.6468 -4.5559 -4.5559 -4.5479 -4.5479 -3.6070 -3.6070 2.4582 2.4582 3.8320 3.8320 7.5010 7.5010 7.5990 7.5990 8.3302 8.3302 8.4311 8.4311 8.6465 8.6465 8.9632 8.9632 12.0731 12.0731 12.3548 12.3548 12.5362 12.5362 12.5447 12.5447 k = 0.0185 0.0107 0.1841 ( 3532 PWs) bands (ev): -45.2622 -45.2622 -22.7777 -22.7777 -20.7295 -20.7295 -20.6069 -20.6069 -5.4811 -5.4811 -5.4804 -5.4804 -4.6505 -4.6505 -4.6468 -4.6468 -4.5556 -4.5556 -4.5450 -4.5450 -3.6054 -3.6054 2.4622 2.4622 3.8362 3.8362 7.4959 7.4959 7.5958 7.5958 8.2939 8.2939 8.4473 8.4473 8.6517 8.6517 8.9666 8.9666 12.0338 12.0338 12.3545 12.3545 12.5396 12.5396 12.5555 12.5555 k = 0.0278 0.0160 0.1841 ( 3520 PWs) bands (ev): -45.2619 -45.2619 -22.7780 -22.7780 -20.7296 -20.7296 -20.6078 -20.6078 -5.4809 -5.4809 -5.4801 -5.4801 -4.6501 -4.6501 -4.6467 -4.6467 -4.5555 -4.5555 -4.5398 -4.5398 -3.6028 -3.6028 2.4688 2.4688 3.8432 3.8432 7.4855 7.4855 7.5925 7.5925 8.2495 8.2495 8.4577 8.4577 8.6608 8.6608 8.9721 8.9721 11.9764 11.9764 12.3534 12.3534 12.5392 12.5392 12.5689 12.5689 k = 0.0370 0.0214 0.1841 ( 3528 PWs) bands (ev): -45.2618 -45.2618 -22.7785 -22.7785 -20.7297 -20.7297 -20.6090 -20.6090 -5.4808 -5.4808 -5.4797 -5.4797 -4.6498 -4.6498 -4.6466 -4.6466 -4.5556 -4.5556 -4.5324 -4.5324 -3.5991 -3.5991 2.4781 2.4781 3.8529 3.8529 7.4677 7.4677 7.5912 7.5912 8.2003 8.2003 8.4594 8.4594 8.6734 8.6734 8.9798 8.9798 11.9073 11.9073 12.3505 12.3505 12.5390 12.5390 12.5765 12.5765 k = 0.0463 0.0267 0.1841 ( 3536 PWs) bands (ev): -45.2617 -45.2617 -22.7791 -22.7791 -20.7299 -20.7299 -20.6105 -20.6105 -5.4806 -5.4806 -5.4793 -5.4793 -4.6495 -4.6495 -4.6463 -4.6463 -4.5560 -4.5560 -4.5228 -4.5228 -3.5944 -3.5944 2.4900 2.4900 3.8654 3.8654 7.4416 7.4416 7.5932 7.5932 8.1478 8.1478 8.4526 8.4526 8.6881 8.6881 8.9896 8.9896 11.8305 11.8305 12.3448 12.3448 12.5388 12.5388 12.5807 12.5807 k = 0.0556 0.0321 0.1841 ( 3530 PWs) bands (ev): -45.2614 -45.2614 -22.7798 -22.7798 -20.7302 -20.7302 -20.6124 -20.6124 -5.4804 -5.4804 -5.4785 -5.4785 -4.6492 -4.6492 -4.6456 -4.6456 -4.5563 -4.5563 -4.5110 -4.5110 -3.5887 -3.5887 2.5046 2.5046 3.8806 3.8806 7.4073 7.4073 7.5986 7.5986 8.0926 8.0926 8.4384 8.4384 8.7033 8.7033 9.0014 9.0014 11.7485 11.7485 12.3358 12.3358 12.5355 12.5355 12.5876 12.5876 k = 0.0648 0.0374 0.1841 ( 3522 PWs) bands (ev): -45.2611 -45.2611 -22.7807 -22.7807 -20.7305 -20.7305 -20.6146 -20.6146 -5.4802 -5.4802 -5.4776 -5.4776 -4.6490 -4.6490 -4.6445 -4.6445 -4.5568 -4.5568 -4.4971 -4.4971 -3.5819 -3.5819 2.5218 2.5218 3.8984 3.8984 7.3655 7.3655 7.6068 7.6068 8.0352 8.0352 8.4181 8.4181 8.7171 8.7171 9.0151 9.0151 11.6630 11.6630 12.3241 12.3241 12.5265 12.5265 12.6016 12.6016 k = 0.0741 0.0428 0.1841 ( 3526 PWs) bands (ev): -45.2608 -45.2608 -22.7817 -22.7817 -20.7309 -20.7309 -20.6170 -20.6170 -5.4801 -5.4801 -5.4767 -5.4767 -4.6489 -4.6489 -4.6432 -4.6432 -4.5575 -4.5575 -4.4812 -4.4812 -3.5741 -3.5741 2.5417 2.5417 3.9188 3.9188 7.3169 7.3169 7.6172 7.6172 7.9761 7.9761 8.3929 8.3929 8.7286 8.7286 9.0306 9.0306 11.5751 11.5751 12.3107 12.3107 12.5126 12.5126 12.6227 12.6227 k = 0.0833 0.0481 0.1841 ( 3522 PWs) bands (ev): -45.2604 -45.2604 -22.7828 -22.7828 -20.7313 -20.7313 -20.6198 -20.6198 -5.4799 -5.4799 -5.4755 -5.4755 -4.6488 -4.6488 -4.6416 -4.6416 -4.5581 -4.5581 -4.4634 -4.4634 -3.5654 -3.5654 2.5642 2.5642 3.9418 3.9418 7.2625 7.2625 7.6290 7.6290 7.9160 7.9160 8.3635 8.3635 8.7367 8.7367 9.0477 9.0477 11.4856 11.4856 12.2968 12.2968 12.4951 12.4951 12.6494 12.6494 k = 0.0926 0.0535 0.1841 ( 3510 PWs) bands (ev): -45.2598 -45.2598 -22.7841 -22.7841 -20.7318 -20.7318 -20.6227 -20.6227 -5.4796 -5.4796 -5.4743 -5.4743 -4.6487 -4.6487 -4.6398 -4.6398 -4.5587 -4.5587 -4.4436 -4.4436 -3.5557 -3.5557 2.5894 2.5894 3.9672 3.9672 7.2026 7.2026 7.6410 7.6410 7.8559 7.8559 8.3306 8.3306 8.7410 8.7410 9.0663 9.0663 11.3954 11.3954 12.2839 12.2839 12.4752 12.4752 12.6807 12.6807 k = 0.1019 0.0588 0.1841 ( 3510 PWs) bands (ev): -45.2594 -45.2594 -22.7855 -22.7855 -20.7324 -20.7324 -20.6260 -20.6260 -5.4794 -5.4794 -5.4731 -5.4731 -4.6486 -4.6486 -4.6379 -4.6379 -4.5595 -4.5595 -4.4219 -4.4219 -3.5450 -3.5450 2.6173 2.6173 3.9949 3.9949 7.1381 7.1381 7.6496 7.6496 7.7993 7.7993 8.2947 8.2947 8.7411 8.7411 9.0860 9.0860 11.3050 11.3050 12.2729 12.2729 12.4535 12.4535 12.7154 12.7154 k = 0.1111 0.0642 0.1841 ( 3506 PWs) bands (ev): -45.2589 -45.2589 -22.7869 -22.7869 -20.7331 -20.7331 -20.6294 -20.6294 -5.4792 -5.4792 -5.4717 -5.4717 -4.6484 -4.6484 -4.6359 -4.6359 -4.5602 -4.5602 -4.3983 -4.3983 -3.5334 -3.5334 2.6478 2.6478 4.0249 4.0249 7.0693 7.0693 7.6440 7.6440 7.7570 7.7570 8.2563 8.2563 8.7369 8.7369 9.1068 9.1068 11.2153 11.2153 12.2648 12.2648 12.4305 12.4305 12.7529 12.7529 k = 0.1204 0.0695 0.1841 ( 3510 PWs) bands (ev): -45.2584 -45.2584 -22.7885 -22.7885 -20.7339 -20.7339 -20.6330 -20.6330 -5.4789 -5.4789 -5.4703 -5.4703 -4.6482 -4.6482 -4.6338 -4.6338 -4.5609 -4.5609 -4.3729 -4.3729 -3.5209 -3.5209 2.6809 2.6809 4.0570 4.0570 6.9968 6.9968 7.6078 7.6078 7.7452 7.7452 8.2156 8.2156 8.7282 8.7282 9.1283 9.1283 11.1269 11.1269 12.2600 12.2600 12.4068 12.4068 12.7926 12.7926 k = 0.1296 0.0748 0.1841 ( 3518 PWs) bands (ev): -45.2579 -45.2579 -22.7903 -22.7903 -20.7348 -20.7348 -20.6368 -20.6368 -5.4788 -5.4788 -5.4689 -5.4689 -4.6480 -4.6480 -4.6316 -4.6316 -4.5616 -4.5616 -4.3458 -4.3458 -3.5075 -3.5075 2.7167 2.7167 4.0911 4.0911 6.9212 6.9212 7.5495 7.5495 7.7555 7.7555 8.1731 8.1731 8.7154 8.7154 9.1500 9.1500 11.0404 11.0404 12.2589 12.2589 12.3831 12.3831 12.8338 12.8338 k = 0.1389 0.0802 0.1841 ( 3524 PWs) bands (ev): -45.2574 -45.2574 -22.7921 -22.7921 -20.7359 -20.7359 -20.6407 -20.6407 -5.4786 -5.4786 -5.4674 -5.4674 -4.6478 -4.6478 -4.6294 -4.6294 -4.5623 -4.5623 -4.3170 -4.3170 -3.4932 -3.4932 2.7552 2.7552 4.1271 4.1271 6.8427 6.8427 7.4828 7.4828 7.7740 7.7740 8.1291 8.1291 8.6984 8.6984 9.1715 9.1715 10.9568 10.9568 12.2609 12.2609 12.3603 12.3603 12.8763 12.8763 k = 0.1481 0.0855 0.1841 ( 3524 PWs) bands (ev): -45.2568 -45.2568 -22.7940 -22.7940 -20.7370 -20.7370 -20.6447 -20.6447 -5.4784 -5.4784 -5.4658 -5.4658 -4.6475 -4.6475 -4.6271 -4.6271 -4.5628 -4.5628 -4.2866 -4.2866 -3.4782 -3.4782 2.7962 2.7962 4.1648 4.1648 6.7620 6.7620 7.4122 7.4122 7.7962 7.7962 8.0838 8.0838 8.6778 8.6778 9.1922 9.1922 10.8770 10.8770 12.2642 12.2642 12.3410 12.3410 12.9194 12.9194 k = 0.1574 0.0909 0.1841 ( 3530 PWs) bands (ev): -45.2562 -45.2562 -22.7960 -22.7960 -20.7384 -20.7384 -20.6487 -20.6487 -5.4783 -5.4783 -5.4642 -5.4642 -4.6471 -4.6471 -4.6249 -4.6249 -4.5631 -4.5631 -4.2545 -4.2545 -3.4623 -3.4623 2.8399 2.8399 4.2039 4.2039 6.6793 6.6793 7.3392 7.3392 7.8204 7.8204 8.0376 8.0376 8.6539 8.6539 9.2115 9.2115 10.8019 10.8019 12.2632 12.2632 12.3307 12.3307 12.9629 12.9629 k = 0.1667 0.0962 0.1841 ( 3520 PWs) bands (ev): -45.2554 -45.2554 -22.7981 -22.7981 -20.7399 -20.7399 -20.6527 -20.6527 -5.4781 -5.4781 -5.4625 -5.4625 -4.6467 -4.6467 -4.6226 -4.6226 -4.5631 -4.5631 -4.2210 -4.2210 -3.4458 -3.4458 2.8862 2.8862 4.2444 4.2444 6.5952 6.5952 7.2645 7.2645 7.8459 7.8459 7.9907 7.9907 8.6272 8.6272 9.2284 9.2284 10.7327 10.7327 12.2522 12.2522 12.3355 12.3355 13.0065 13.0065 k = 0.1759 0.1016 0.1841 ( 3524 PWs) bands (ev): -45.2548 -45.2548 -22.8003 -22.8003 -20.7417 -20.7417 -20.6567 -20.6567 -5.4779 -5.4779 -5.4609 -5.4609 -4.6463 -4.6463 -4.6206 -4.6206 -4.5631 -4.5631 -4.1860 -4.1860 -3.4285 -3.4285 2.9351 2.9351 4.2859 4.2859 6.5101 6.5101 7.1884 7.1884 7.8722 7.8722 7.9435 7.9435 8.5981 8.5981 9.2422 9.2422 10.6705 10.6705 12.2338 12.2338 12.3523 12.3523 13.0496 13.0496 k = 0.1852 0.1069 0.1841 ( 3520 PWs) bands (ev): -45.2540 -45.2540 -22.8025 -22.8025 -20.7436 -20.7436 -20.6606 -20.6606 -5.4778 -5.4778 -5.4593 -5.4593 -4.6458 -4.6458 -4.6186 -4.6186 -4.5626 -4.5626 -4.1497 -4.1497 -3.4105 -3.4105 2.9866 2.9866 4.3281 4.3281 6.4243 6.4243 7.1112 7.1112 7.8911 7.8911 7.9040 7.9040 8.5673 8.5673 9.2519 9.2519 10.6165 10.6165 12.2128 12.2128 12.3764 12.3764 13.0921 13.0921 k = 0.1944 0.1123 0.1841 ( 3518 PWs) bands (ev): -45.2533 -45.2533 -22.8048 -22.8048 -20.7458 -20.7458 -20.6644 -20.6644 -5.4776 -5.4776 -5.4576 -5.4576 -4.6452 -4.6452 -4.6170 -4.6170 -4.5618 -4.5618 -4.1121 -4.1121 -3.3920 -3.3920 3.0406 3.0406 4.3708 4.3708 6.3384 6.3384 7.0330 7.0330 7.8468 7.8468 7.9279 7.9279 8.5351 8.5351 9.2566 9.2566 10.5719 10.5719 12.1915 12.1915 12.4051 12.4051 13.1336 13.1336 k = 0.2037 0.1176 0.1841 ( 3518 PWs) bands (ev): -45.2525 -45.2525 -22.8072 -22.8072 -20.7483 -20.7483 -20.6680 -20.6680 -5.4775 -5.4775 -5.4561 -5.4561 -4.6447 -4.6447 -4.6156 -4.6156 -4.5606 -4.5606 -4.0733 -4.0733 -3.3728 -3.3728 3.0971 3.0971 4.4136 4.4136 6.2526 6.2526 6.9542 6.9542 7.7992 7.7992 7.9552 7.9552 8.5023 8.5023 9.2556 9.2556 10.5378 10.5378 12.1707 12.1707 12.4369 12.4369 13.1740 13.1740 k = 0.2130 0.1230 0.1841 ( 3528 PWs) bands (ev): -45.2519 -45.2519 -22.8097 -22.8097 -20.7511 -20.7511 -20.6714 -20.6714 -5.4775 -5.4775 -5.4546 -5.4546 -4.6442 -4.6442 -4.6145 -4.6145 -4.5591 -4.5591 -4.0334 -4.0334 -3.3532 -3.3532 3.1560 3.1560 4.4561 4.4561 6.1676 6.1676 6.8749 6.8749 7.7517 7.7517 7.9823 7.9823 8.4693 8.4693 9.2483 9.2483 10.5147 10.5147 12.1509 12.1509 12.4705 12.4705 13.2128 13.2128 k = 0.2222 0.1283 0.1841 ( 3532 PWs) bands (ev): -45.2511 -45.2511 -22.8122 -22.8122 -20.7541 -20.7541 -20.6745 -20.6745 -5.4775 -5.4775 -5.4530 -5.4530 -4.6437 -4.6437 -4.6136 -4.6136 -4.5572 -4.5572 -3.9926 -3.9926 -3.3331 -3.3331 3.2174 3.2174 4.4978 4.4978 6.0838 6.0838 6.7955 6.7955 7.7046 7.7046 8.0085 8.0085 8.4368 8.4368 9.2349 9.2349 10.5031 10.5031 12.1326 12.1326 12.5041 12.5041 13.2496 13.2496 k = 0.2315 0.1336 0.1841 ( 3528 PWs) bands (ev): -45.2503 -45.2503 -22.8147 -22.8147 -20.7575 -20.7575 -20.6774 -20.6774 -5.4775 -5.4775 -5.4515 -5.4515 -4.6432 -4.6432 -4.6129 -4.6129 -4.5548 -4.5548 -3.9509 -3.9509 -3.3126 -3.3126 3.2811 3.2811 4.5381 4.5381 6.0017 6.0017 6.7161 6.7161 7.6580 7.6580 8.0334 8.0334 8.4056 8.4056 9.2157 9.2157 10.5026 10.5026 12.1159 12.1159 12.5352 12.5352 13.2837 13.2837 k = 0.2407 0.1390 0.1841 ( 3524 PWs) bands (ev): -45.2495 -45.2495 -22.8172 -22.8172 -20.7610 -20.7610 -20.6801 -20.6801 -5.4775 -5.4775 -5.4500 -5.4500 -4.6427 -4.6427 -4.6124 -4.6124 -4.5521 -4.5521 -3.9083 -3.9083 -3.2917 -3.2917 3.3470 3.3470 4.5764 4.5764 5.9221 5.9221 6.6372 6.6372 7.6120 7.6120 8.0559 8.0559 8.3766 8.3766 9.1915 9.1915 10.5127 10.5127 12.1010 12.1010 12.5587 12.5587 13.3073 13.3073 k = 0.2500 0.1443 0.1841 ( 3520 PWs) bands (ev): -45.2487 -45.2487 -22.8198 -22.8198 -20.7649 -20.7649 -20.6825 -20.6825 -5.4776 -5.4776 -5.4486 -5.4486 -4.6423 -4.6423 -4.6120 -4.6120 -4.5490 -4.5490 -3.8652 -3.8652 -3.2705 -3.2705 3.4150 3.4150 4.6117 4.6117 5.8457 5.8457 6.5589 6.5589 7.5668 7.5668 8.0747 8.0747 8.3511 8.3511 9.1635 9.1635 10.5325 10.5325 12.0880 12.0880 12.5643 12.5643 13.2171 13.2171 k = 0.2593 0.1497 0.1841 ( 3522 PWs) bands (ev): -45.2479 -45.2479 -22.8224 -22.8224 -20.7690 -20.7690 -20.6846 -20.6846 -5.4777 -5.4777 -5.4472 -5.4472 -4.6420 -4.6420 -4.6118 -4.6118 -4.5457 -4.5457 -3.8215 -3.8215 -3.2492 -3.2492 3.4851 3.4851 4.6433 4.6433 5.7734 5.7734 6.4818 6.4818 7.5226 7.5226 8.0880 8.0880 8.3312 8.3312 9.1329 9.1329 10.5607 10.5607 12.0770 12.0770 12.5320 12.5320 13.0875 13.0875 k = 0.2685 0.1550 0.1841 ( 3510 PWs) bands (ev): -45.2471 -45.2471 -22.8250 -22.8250 -20.7732 -20.7732 -20.6865 -20.6865 -5.4777 -5.4777 -5.4459 -5.4459 -4.6417 -4.6417 -4.6116 -4.6116 -4.5420 -4.5420 -3.7774 -3.7774 -3.2277 -3.2277 3.5570 3.5570 4.6698 4.6698 5.7062 5.7062 6.4062 6.4062 7.4793 7.4793 8.0935 8.0935 8.3187 8.3187 9.1011 9.1011 10.5964 10.5964 12.0681 12.0681 12.4397 12.4397 13.0146 13.0146 k = 0.2778 0.1604 0.1841 ( 3518 PWs) bands (ev): -45.2463 -45.2463 -22.8276 -22.8276 -20.7777 -20.7777 -20.6882 -20.6882 -5.4779 -5.4779 -5.4447 -5.4447 -4.6416 -4.6416 -4.6114 -4.6114 -4.5384 -4.5384 -3.7330 -3.7330 -3.2061 -3.2061 3.6305 3.6305 4.6901 4.6901 5.6455 5.6455 6.3324 6.3324 7.4371 7.4371 8.0897 8.0897 8.3152 8.3152 9.0692 9.0692 10.6382 10.6382 12.0606 12.0606 12.2937 12.2937 12.9977 12.9977 k = 0.2870 0.1657 0.1841 ( 3518 PWs) bands (ev): -45.2456 -45.2456 -22.8302 -22.8302 -20.7822 -20.7822 -20.6897 -20.6897 -5.4780 -5.4780 -5.4436 -5.4436 -4.6417 -4.6417 -4.6112 -4.6112 -4.5346 -4.5346 -3.6886 -3.6886 -3.1844 -3.1844 3.7055 3.7055 4.7027 4.7027 5.5924 5.5924 6.2611 6.2611 7.3961 7.3961 8.0772 8.0772 8.3201 8.3201 9.0383 9.0383 10.6852 10.6852 12.0497 12.0497 12.1238 12.1238 13.0131 13.0131 k = 0.2963 0.1711 0.1841 ( 3514 PWs) bands (ev): -45.2448 -45.2448 -22.8327 -22.8327 -20.7868 -20.7868 -20.6909 -20.6909 -5.4782 -5.4782 -5.4425 -5.4425 -4.6418 -4.6418 -4.6108 -4.6108 -4.5306 -4.5306 -3.6441 -3.6441 -3.1629 -3.1629 3.7817 3.7817 4.7064 4.7064 5.5482 5.5482 6.1926 6.1926 7.3564 7.3564 8.0578 8.0578 8.3312 8.3312 9.0093 9.0093 10.7364 10.7364 11.9210 11.9210 12.0618 12.0618 13.0439 13.0439 k = 0.3056 0.1764 0.1841 ( 3510 PWs) bands (ev): -45.2440 -45.2440 -22.8353 -22.8353 -20.7915 -20.7915 -20.6920 -20.6920 -5.4784 -5.4784 -5.4415 -5.4415 -4.6421 -4.6421 -4.6104 -4.6104 -4.5266 -4.5266 -3.5998 -3.5998 -3.1415 -3.1415 3.8586 3.8586 4.7003 4.7003 5.5137 5.5137 6.1276 6.1276 7.3180 7.3180 8.0337 8.0337 8.3461 8.3461 8.9830 8.9830 10.7906 10.7906 11.7310 11.7310 12.0596 12.0596 13.0819 13.0819 k = 0.3148 0.1818 0.1841 ( 3508 PWs) bands (ev): -45.2433 -45.2433 -22.8378 -22.8378 -20.7961 -20.7961 -20.6930 -20.6930 -5.4786 -5.4786 -5.4406 -5.4406 -4.6426 -4.6426 -4.6098 -4.6098 -4.5226 -4.5226 -3.5559 -3.5559 -3.1203 -3.1203 3.9358 3.9358 4.6843 4.6843 5.4890 5.4890 6.0667 6.0667 7.2810 7.2810 8.0065 8.0065 8.3630 8.3630 8.9600 8.9600 10.8467 10.8467 11.5399 11.5399 12.0615 12.0615 13.1233 13.1233 k = 0.3241 0.1871 0.1841 ( 3516 PWs) bands (ev): -45.2426 -45.2426 -22.8402 -22.8402 -20.8008 -20.8008 -20.6938 -20.6938 -5.4789 -5.4789 -5.4398 -5.4398 -4.6432 -4.6432 -4.6092 -4.6092 -4.5186 -4.5186 -3.5124 -3.5124 -3.0994 -3.0994 4.0128 4.0128 4.6590 4.6590 5.4734 5.4734 6.0106 6.0106 7.2454 7.2454 7.9770 7.9770 8.3808 8.3808 8.9407 8.9407 10.9021 10.9021 11.3534 11.3534 12.0658 12.0658 13.1660 13.1660 k = 0.3333 0.1925 0.1841 ( 3522 PWs) bands (ev): -45.2420 -45.2420 -22.8426 -22.8426 -20.8053 -20.8053 -20.6945 -20.6945 -5.4792 -5.4792 -5.4390 -5.4390 -4.6439 -4.6439 -4.6085 -4.6085 -4.5147 -4.5147 -3.4697 -3.4697 -3.0790 -3.0790 4.0889 4.0889 4.6259 4.6259 5.4658 5.4658 5.9601 5.9601 7.2114 7.2114 7.9457 7.9457 8.3987 8.3987 8.9255 8.9255 10.9469 10.9469 11.1824 11.1824 12.0722 12.0722 13.2088 13.2088 k = 0.3426 0.1978 0.1841 ( 3520 PWs) bands (ev): -45.2413 -45.2413 -22.8449 -22.8449 -20.8098 -20.8098 -20.6951 -20.6951 -5.4795 -5.4795 -5.4383 -5.4383 -4.6447 -4.6447 -4.6076 -4.6076 -4.5108 -4.5108 -3.4278 -3.4278 -3.0590 -3.0590 4.1632 4.1632 4.5867 4.5867 5.4643 5.4643 5.9162 5.9162 7.1789 7.1789 7.9128 7.9128 8.4162 8.4162 8.9145 8.9145 10.9125 10.9125 11.0961 11.0961 12.0804 12.0804 13.2509 13.2509 k = 0.3519 0.2031 0.1841 ( 3516 PWs) bands (ev): -45.2406 -45.2406 -22.8471 -22.8471 -20.8141 -20.8141 -20.6957 -20.6957 -5.4797 -5.4797 -5.4376 -5.4376 -4.6455 -4.6455 -4.6067 -4.6067 -4.5070 -4.5070 -3.3869 -3.3869 -3.0395 -3.0395 4.2344 4.2344 4.5436 4.5436 5.4673 5.4673 5.8798 5.8798 7.1481 7.1481 7.8781 7.8781 8.4330 8.4330 8.9078 8.9078 10.7647 10.7647 11.1291 11.1291 12.0904 12.0904 13.2917 13.2917 k = 0.3611 0.2085 0.1841 ( 3514 PWs) bands (ev): -45.2400 -45.2400 -22.8493 -22.8493 -20.8183 -20.8183 -20.6961 -20.6961 -5.4800 -5.4800 -5.4370 -5.4370 -4.6464 -4.6464 -4.6056 -4.6056 -4.5034 -4.5034 -3.3472 -3.3472 -3.0207 -3.0207 4.3009 4.3009 4.4988 4.4988 5.4734 5.4734 5.8521 5.8521 7.1190 7.1190 7.8414 7.8414 8.4489 8.4489 8.9052 8.9052 10.5989 10.5989 11.1864 11.1864 12.1017 12.1017 13.3307 13.3307 k = 0.3704 0.2138 0.1841 ( 3518 PWs) bands (ev): -45.2395 -45.2395 -22.8513 -22.8513 -20.8223 -20.8223 -20.6965 -20.6965 -5.4803 -5.4803 -5.4365 -5.4365 -4.6473 -4.6473 -4.6046 -4.6046 -4.5000 -4.5000 -3.3089 -3.3089 -3.0026 -3.0026 4.3576 4.3576 4.4576 4.4576 5.4815 5.4815 5.8343 5.8343 7.0915 7.0915 7.8023 7.8023 8.4637 8.4637 8.9066 8.9066 10.4354 10.4354 11.2481 11.2481 12.1142 12.1142 13.3675 13.3675 k = 0.3796 0.2192 0.1841 ( 3518 PWs) bands (ev): -45.2389 -45.2389 -22.8533 -22.8533 -20.8261 -20.8261 -20.6968 -20.6968 -5.4806 -5.4806 -5.4360 -5.4360 -4.6482 -4.6482 -4.6036 -4.6036 -4.4966 -4.4966 -3.2722 -3.2722 -2.9853 -2.9853 4.3753 4.3753 4.4492 4.4492 5.4907 5.4907 5.8273 5.8273 7.0658 7.0658 7.7605 7.7605 8.4774 8.4774 8.9117 8.9117 10.2779 10.2779 11.3108 11.3108 12.1277 12.1277 13.4017 13.4017 k = 0.3889 0.2245 0.1841 ( 3522 PWs) bands (ev): -45.2384 -45.2384 -22.8551 -22.8551 -20.8298 -20.8298 -20.6971 -20.6971 -5.4809 -5.4809 -5.4356 -5.4356 -4.6492 -4.6492 -4.6027 -4.6027 -4.4934 -4.4934 -3.2373 -3.2373 -2.9689 -2.9689 4.3409 4.3409 4.4865 4.4865 5.5006 5.5006 5.8323 5.8323 7.0419 7.0419 7.7154 7.7154 8.4899 8.4899 8.9200 8.9200 10.1282 10.1282 11.3733 11.3733 12.1418 12.1418 13.4311 13.4311 k = 0.3981 0.2299 0.1841 ( 3520 PWs) bands (ev): -45.2379 -45.2379 -22.8568 -22.8568 -20.8331 -20.8331 -20.6973 -20.6973 -5.4811 -5.4811 -5.4353 -5.4353 -4.6500 -4.6500 -4.6016 -4.6016 -4.4904 -4.4904 -3.2043 -3.2043 -2.9535 -2.9535 4.2982 4.2982 4.5258 4.5258 5.5106 5.5106 5.8500 5.8500 7.0197 7.0197 7.6665 7.6665 8.5011 8.5011 8.9312 8.9312 9.9874 9.9874 11.4348 11.4348 12.1562 12.1562 13.4285 13.4285 k = 0.4074 0.2352 0.1841 ( 3512 PWs) bands (ev): -45.2374 -45.2374 -22.8584 -22.8584 -20.8363 -20.8363 -20.6975 -20.6975 -5.4814 -5.4814 -5.4349 -5.4349 -4.6508 -4.6508 -4.6006 -4.6006 -4.4876 -4.4876 -3.1735 -3.1735 -2.9392 -2.9392 4.2559 4.2559 4.5586 4.5586 5.5203 5.5203 5.8806 5.8806 6.9994 6.9994 7.6132 7.6132 8.5111 8.5111 8.9446 8.9446 9.8566 9.8566 11.4948 11.4948 12.1707 12.1707 13.3888 13.3888 k = 0.4167 0.2406 0.1841 ( 3522 PWs) bands (ev): -45.2371 -45.2371 -22.8599 -22.8599 -20.8392 -20.8392 -20.6977 -20.6977 -5.4817 -5.4817 -5.4347 -5.4347 -4.6516 -4.6516 -4.5998 -4.5998 -4.4850 -4.4850 -3.1450 -3.1450 -2.9259 -2.9259 4.2158 4.2158 4.5839 4.5839 5.5292 5.5292 5.9239 5.9239 6.9810 6.9810 7.5552 7.5552 8.5198 8.5198 8.9595 8.9595 9.7366 9.7366 11.5528 11.5528 12.1849 12.1849 13.3425 13.3425 k = 0.4259 0.2459 0.1841 ( 3518 PWs) bands (ev): -45.2367 -45.2367 -22.8612 -22.8612 -20.8418 -20.8418 -20.6978 -20.6978 -5.4819 -5.4819 -5.4344 -5.4344 -4.6523 -4.6523 -4.5990 -4.5990 -4.4827 -4.4827 -3.1189 -3.1189 -2.9139 -2.9139 4.1787 4.1787 4.6022 4.6022 5.5372 5.5372 5.9791 5.9791 6.9644 6.9644 7.4922 7.4922 8.5271 8.5271 8.9755 8.9755 9.6284 9.6284 11.6082 11.6082 12.1986 12.1986 13.2933 13.2933 k = 0.4352 0.2513 0.1841 ( 3526 PWs) bands (ev): -45.2364 -45.2364 -22.8624 -22.8624 -20.8441 -20.8441 -20.6979 -20.6979 -5.4821 -5.4821 -5.4343 -5.4343 -4.6530 -4.6530 -4.5983 -4.5983 -4.4806 -4.4806 -3.0955 -3.0955 -2.9031 -2.9031 4.1451 4.1451 4.6146 4.6146 5.5440 5.5440 6.0446 6.0446 6.9497 6.9497 7.4240 7.4240 8.5333 8.5333 8.9917 8.9917 9.5326 9.5326 11.6605 11.6605 12.2114 12.2114 13.2431 13.2431 k = 0.4444 0.2566 0.1841 ( 3526 PWs) bands (ev): -45.2361 -45.2361 -22.8634 -22.8634 -20.8461 -20.8461 -20.6980 -20.6980 -5.4823 -5.4823 -5.4341 -5.4341 -4.6536 -4.6536 -4.5976 -4.5976 -4.4788 -4.4788 -3.0750 -3.0750 -2.8936 -2.8936 4.1152 4.1152 4.6223 4.6223 5.5497 5.5497 6.1185 6.1185 6.9369 6.9369 7.3511 7.3511 8.5382 8.5382 9.0075 9.0075 9.4495 9.4495 11.7088 11.7088 12.2231 12.2231 13.1939 13.1939 k = 0.4537 0.2619 0.1841 ( 3526 PWs) bands (ev): -45.2359 -45.2359 -22.8643 -22.8643 -20.8479 -20.8479 -20.6981 -20.6981 -5.4824 -5.4824 -5.4340 -5.4340 -4.6541 -4.6541 -4.5970 -4.5970 -4.4773 -4.4773 -3.0573 -3.0573 -2.8855 -2.8855 4.0895 4.0895 4.6265 4.6265 5.5543 5.5543 6.1984 6.1984 6.9260 6.9260 7.2742 7.2742 8.5421 8.5421 9.0223 9.0223 9.3796 9.3796 11.7525 11.7525 12.2334 12.2334 13.1475 13.1475 k = 0.4630 0.2673 0.1841 ( 3538 PWs) bands (ev): -45.2358 -45.2358 -22.8651 -22.8651 -20.8493 -20.8493 -20.6981 -20.6981 -5.4826 -5.4826 -5.4340 -5.4340 -4.6546 -4.6546 -4.5966 -4.5966 -4.4760 -4.4760 -3.0427 -3.0427 -2.8788 -2.8788 4.0682 4.0682 4.6284 4.6284 5.5578 5.5578 6.2816 6.2816 6.9170 6.9170 7.1949 7.1949 8.5450 8.5450 9.0353 9.0353 9.3227 9.3227 11.7906 11.7906 12.2421 12.2421 13.1058 13.1058 k = 0.4722 0.2726 0.1841 ( 3538 PWs) bands (ev): -45.2356 -45.2356 -22.8656 -22.8656 -20.8504 -20.8504 -20.6982 -20.6982 -5.4827 -5.4827 -5.4339 -5.4339 -4.6549 -4.6549 -4.5962 -4.5962 -4.4751 -4.4751 -3.0312 -3.0312 -2.8735 -2.8735 4.0514 4.0514 4.6289 4.6289 5.5605 5.5605 6.3642 6.3642 6.9098 6.9098 7.1162 7.1162 8.5470 8.5470 9.0460 9.0460 9.2789 9.2789 11.8219 11.8219 12.2490 12.2490 13.0707 13.0707 k = 0.4815 0.2780 0.1841 ( 3544 PWs) bands (ev): -45.2355 -45.2355 -22.8661 -22.8661 -20.8512 -20.8512 -20.6982 -20.6982 -5.4828 -5.4828 -5.4339 -5.4339 -4.6552 -4.6552 -4.5959 -4.5959 -4.4744 -4.4744 -3.0229 -3.0229 -2.8698 -2.8698 4.0393 4.0393 4.6288 4.6288 5.5623 5.5623 6.4403 6.4403 6.9041 6.9041 7.0438 7.0438 8.5483 8.5483 9.0540 9.0540 9.2479 9.2479 11.8453 11.8453 12.2540 12.2540 13.0441 13.0441 k = 0.4907 0.2833 0.1841 ( 3536 PWs) bands (ev): -45.2354 -45.2354 -22.8663 -22.8663 -20.8517 -20.8517 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6553 -4.6553 -4.5957 -4.5957 -4.4739 -4.4739 -3.0179 -3.0179 -2.8675 -2.8675 4.0321 4.0321 4.6285 4.6285 5.5634 5.5634 6.4987 6.4987 6.8998 6.8998 6.9887 6.9887 8.5490 8.5490 9.0590 9.0590 9.2294 9.2294 11.8599 11.8599 12.2570 12.2570 13.0275 13.0275 k = 0.5000 0.2887 0.1841 ( 3540 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6554 -4.6554 -4.5957 -4.5957 -4.4738 -4.4738 -3.0163 -3.0163 -2.8667 -2.8667 4.0296 4.0296 4.6284 4.6284 5.5638 5.5638 6.5218 6.5218 6.8976 6.8976 6.9674 6.9674 8.5492 8.5492 9.0607 9.0607 9.2232 9.2232 11.8649 11.8649 12.2580 12.2580 13.0218 13.0218 k = 0.5000 0.2887 0.1841 ( 3540 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6554 -4.6554 -4.5957 -4.5957 -4.4738 -4.4738 -3.0163 -3.0163 -2.8667 -2.8667 4.0296 4.0296 4.6284 4.6284 5.5638 5.5638 6.5218 6.5218 6.8976 6.8976 6.9674 6.9674 8.5492 8.5492 9.0607 9.0607 9.2232 9.2232 11.8649 11.8649 12.2580 12.2580 13.0218 13.0218 k = 0.4946 0.2980 0.1841 ( 3534 PWs) bands (ev): -45.2354 -45.2354 -22.8670 -22.8658 -20.8526 -20.8511 -20.6985 -20.6982 -5.4828 -5.4827 -5.4338 -5.4337 -4.6554 -4.6551 -4.5957 -4.5956 -4.4740 -4.4738 -3.0170 -3.0146 -2.8665 -2.8664 4.0301 4.0322 4.6272 4.6305 5.5638 5.5649 6.5117 6.5263 6.8846 6.8943 6.9628 6.9943 8.5260 8.5470 9.0546 9.0814 9.2232 9.2247 11.8637 11.8651 12.2571 12.2637 13.0200 13.0208 k = 0.4892 0.3073 0.1841 ( 3544 PWs) bands (ev): -45.2354 -45.2354 -22.8677 -22.8652 -20.8532 -20.8502 -20.6989 -20.6985 -5.4827 -5.4825 -5.4339 -5.4337 -4.6555 -4.6548 -4.5958 -4.5956 -4.4746 -4.4741 -3.0168 -3.0121 -2.8657 -2.8655 4.0335 4.0377 4.6269 4.6337 5.5648 5.5670 6.4965 6.5246 6.8694 6.8740 6.9814 7.0288 8.4814 8.5187 9.0636 9.1122 9.2247 9.2280 11.8618 11.8645 12.2607 12.2738 13.0154 13.0171 k = 0.4839 0.3166 0.1841 ( 3540 PWs) bands (ev): -45.2354 -45.2353 -22.8684 -22.8647 -20.8538 -20.8492 -20.6996 -20.6990 -5.4823 -5.4819 -5.4339 -5.4335 -4.6553 -4.6543 -4.5958 -4.5954 -4.4753 -4.4747 -3.0157 -3.0086 -2.8643 -2.8641 4.0399 4.0463 4.6277 4.6379 5.5670 5.5703 6.4765 6.5163 6.8520 6.8566 7.0088 7.0660 8.4207 8.4684 9.0839 9.1473 9.2281 9.2341 11.8593 11.8630 12.2690 12.2882 13.0081 13.0106 k = 0.4785 0.3259 0.1841 ( 3536 PWs) bands (ev): -45.2353 -45.2353 -22.8691 -22.8642 -20.8543 -20.8481 -20.7005 -20.6997 -5.4817 -5.4812 -5.4338 -5.4334 -4.6550 -4.6537 -4.5959 -4.5953 -4.4764 -4.4755 -3.0137 -3.0042 -2.8624 -2.8621 4.0493 4.0578 4.6292 4.6430 5.5701 5.5745 6.4522 6.5010 6.8336 6.8472 7.0398 7.1043 8.3479 8.4011 9.1098 9.1801 9.2339 9.2459 11.8563 11.8608 12.2818 12.3067 12.9980 13.0013 k = 0.4731 0.3352 0.1841 ( 3538 PWs) bands (ev): -45.2352 -45.2352 -22.8698 -22.8637 -20.8547 -20.8470 -20.7016 -20.7007 -5.4811 -5.4804 -5.4338 -5.4332 -4.6546 -4.6530 -4.5959 -4.5952 -4.4778 -4.4767 -3.0108 -2.9990 -2.8599 -2.8596 4.0617 4.0723 4.6316 4.6491 5.5743 5.5798 6.4244 6.4789 6.8207 6.8415 7.0728 7.1432 8.2657 8.3214 9.1366 9.2035 9.2435 9.2683 11.8532 11.8581 12.2987 12.3290 12.9850 12.9890 k = 0.4677 0.3445 0.1841 ( 3546 PWs) bands (ev): -45.2352 -45.2352 -22.8706 -22.8633 -20.8550 -20.8458 -20.7029 -20.7019 -5.4803 -5.4795 -5.4337 -5.4331 -4.6542 -4.6523 -4.5959 -4.5951 -4.4794 -4.4782 -3.0070 -2.9929 -2.8569 -2.8565 4.0769 4.0897 4.6347 4.6561 5.5794 5.5861 6.3938 6.4507 6.8132 6.8391 7.1070 7.1822 8.1761 8.2323 9.1601 9.2170 9.2582 9.3005 11.8501 11.8552 12.3196 12.3548 12.9690 12.9735 k = 0.4624 0.3539 0.1841 ( 3554 PWs) bands (ev): -45.2352 -45.2352 -22.8714 -22.8630 -20.8553 -20.8444 -20.7044 -20.7033 -5.4794 -5.4785 -5.4336 -5.4329 -4.6536 -4.6514 -4.5960 -4.5951 -4.4814 -4.4799 -3.0024 -2.9861 -2.8534 -2.8530 4.0950 4.1101 4.6383 4.6638 5.5854 5.5932 6.3612 6.4175 6.8106 6.8396 7.1422 7.2211 8.0804 8.1358 9.1783 9.2259 9.2789 9.3366 11.8471 11.8523 12.3440 12.3838 12.9495 12.9544 k = 0.4570 0.3632 0.1841 ( 3550 PWs) bands (ev): -45.2351 -45.2350 -22.8722 -22.8626 -20.8555 -20.8430 -20.7061 -20.7050 -5.4783 -5.4772 -5.4334 -5.4327 -4.6527 -4.6502 -4.5960 -4.5949 -4.4835 -4.4819 -2.9970 -2.9785 -2.8495 -2.8490 4.1159 4.1334 4.6424 4.6722 5.5923 5.6013 6.3273 6.3807 6.8118 6.8425 7.1780 7.2599 7.9798 8.0335 9.1915 9.2334 9.3046 9.3734 11.8445 11.8495 12.3716 12.4157 12.9254 12.9303 k = 0.4516 0.3725 0.1841 ( 3552 PWs) bands (ev): -45.2350 -45.2349 -22.8730 -22.8623 -20.8557 -20.8416 -20.7078 -20.7068 -5.4771 -5.4759 -5.4333 -5.4325 -4.6518 -4.6490 -4.5959 -4.5948 -4.4858 -4.4840 -2.9909 -2.9702 -2.8451 -2.8446 4.1396 4.1595 4.6469 4.6812 5.5999 5.6101 6.2929 6.3416 6.8161 6.8475 7.2142 7.2984 7.8750 7.9266 9.2015 9.2407 9.3333 9.4097 11.8424 11.8470 12.4019 12.4502 12.8926 12.8976 k = 0.4462 0.3818 0.1841 ( 3550 PWs) bands (ev): -45.2348 -45.2348 -22.8738 -22.8621 -20.8558 -20.8400 -20.7098 -20.7089 -5.4759 -5.4744 -5.4330 -5.4322 -4.6507 -4.6476 -4.5959 -4.5946 -4.4884 -4.4865 -2.9840 -2.9612 -2.8403 -2.8397 4.1660 4.1884 4.6515 4.6907 5.6082 5.6197 6.2586 6.3012 6.8225 6.8538 7.2509 7.3366 7.7671 7.8160 9.2099 9.2481 9.3634 9.4452 11.8406 11.8448 12.4341 12.4870 12.8365 12.8454 k = 0.4409 0.3911 0.1841 ( 3554 PWs) bands (ev): -45.2347 -45.2347 -22.8746 -22.8618 -20.8559 -20.8384 -20.7118 -20.7111 -5.4746 -5.4730 -5.4327 -5.4319 -4.6495 -4.6462 -4.5958 -4.5945 -4.4912 -4.4891 -2.9766 -2.9517 -2.8352 -2.8345 4.1950 4.2200 4.6560 4.7004 5.6170 5.6299 6.2250 6.2606 6.8303 6.8611 7.2878 7.3741 7.6573 7.7028 9.2175 9.2561 9.3941 9.4800 11.8392 11.8428 12.4669 12.5255 12.7435 12.7609 k = 0.4355 0.4004 0.1841 ( 3554 PWs) bands (ev): -45.2346 -45.2345 -22.8754 -22.8617 -20.8559 -20.8367 -20.7139 -20.7136 -5.4733 -5.4715 -5.4324 -5.4316 -4.6481 -4.6445 -4.5957 -4.5943 -4.4942 -4.4919 -2.9685 -2.9416 -2.8297 -2.8290 4.2266 4.2544 4.6603 4.7102 5.6264 5.6407 6.1926 6.2204 6.8388 6.8689 7.3249 7.4092 7.5480 7.5879 9.2250 9.2648 9.4250 9.5141 11.8380 11.8409 12.4949 12.5640 12.6341 12.6529 k = 0.4301 0.4097 0.1841 ( 3554 PWs) bands (ev): -45.2344 -45.2344 -22.8763 -22.8615 -20.8559 -20.8349 -20.7161 -20.7160 -5.4720 -5.4699 -5.4320 -5.4312 -4.6466 -4.6427 -4.5957 -4.5941 -4.4973 -4.4949 -2.9599 -2.9311 -2.8240 -2.8232 4.2607 4.2914 4.6643 4.7199 5.6361 5.6520 6.1620 6.1814 6.8472 6.8764 7.3612 7.4087 7.4732 7.4734 9.2328 9.2743 9.4560 9.5479 11.8368 11.8388 12.4645 12.5229 12.5733 12.6125 k = 0.4247 0.4190 0.1841 ( 3558 PWs) bands (ev): -45.2343 -45.2343 -22.8771 -22.8614 -20.8560 -20.8331 -20.7188 -20.7182 -5.4706 -5.4684 -5.4316 -5.4308 -4.6450 -4.6408 -4.5956 -4.5939 -4.5006 -4.4982 -2.9509 -2.9202 -2.8180 -2.8172 4.2971 4.3309 4.6676 4.7293 5.6460 5.6637 6.1337 6.1442 6.8545 6.8827 7.3096 7.3487 7.4079 7.4978 9.2410 9.2849 9.4871 9.5814 11.8353 11.8359 12.3447 12.3939 12.5956 12.6530 k = 0.4194 0.4284 0.1841 ( 3558 PWs) bands (ev): -45.2341 -45.2341 -22.8779 -22.8613 -20.8560 -20.8313 -20.7216 -20.7204 -5.4693 -5.4669 -5.4312 -5.4304 -4.6432 -4.6387 -4.5955 -4.5936 -4.5041 -4.5016 -2.9415 -2.9090 -2.8119 -2.8110 4.3358 4.3729 4.6702 4.7382 5.6560 5.6757 6.1081 6.1094 6.8590 6.8861 7.2005 7.2390 7.4424 7.5346 9.2499 9.2967 9.5183 9.6150 11.8312 11.8331 12.2086 12.2576 12.6282 12.6950 k = 0.4140 0.4377 0.1841 ( 3554 PWs) bands (ev): -45.2339 -45.2339 -22.8787 -22.8613 -20.8560 -20.8294 -20.7244 -20.7226 -5.4680 -5.4654 -5.4306 -5.4300 -4.6413 -4.6365 -4.5953 -4.5933 -4.5076 -4.5050 -2.9319 -2.8976 -2.8056 -2.8047 4.3767 4.4174 4.6718 4.7463 5.6660 5.6879 6.0776 6.0855 6.8567 6.8823 7.0969 7.1321 7.4810 7.5729 9.2596 9.3099 9.5498 9.6487 11.8224 11.8298 12.0693 12.1168 12.6572 12.7335 k = 0.4086 0.4470 0.1841 ( 3558 PWs) bands (ev): -45.2338 -45.2338 -22.8795 -22.8613 -20.8560 -20.8275 -20.7274 -20.7247 -5.4669 -5.4640 -5.4301 -5.4295 -4.6392 -4.6342 -4.5951 -4.5930 -4.5113 -4.5087 -2.9220 -2.8862 -2.7993 -2.7984 4.4195 4.4641 4.6724 4.7534 5.6758 5.7002 6.0491 6.0662 6.8376 6.8576 7.0135 7.0414 7.5203 7.6118 9.2702 9.3246 9.5815 9.6828 11.7996 11.8250 11.9384 11.9729 12.6742 12.7451 k = 0.4032 0.4563 0.1841 ( 3560 PWs) bands (ev): -45.2337 -45.2336 -22.8803 -22.8613 -20.8560 -20.8256 -20.7304 -20.7268 -5.4658 -5.4627 -5.4295 -5.4290 -4.6372 -4.6318 -4.5949 -4.5926 -4.5151 -4.5123 -2.9121 -2.8747 -2.7929 -2.7920 4.4640 4.5130 4.6720 4.7593 5.6852 5.7125 6.0243 6.0505 6.7835 6.7916 6.9713 6.9856 7.5603 7.6512 9.2817 9.3412 9.6135 9.7172 11.7211 11.8176 11.8278 11.8584 12.6761 12.7323 k = 0.3978 0.4656 0.1841 ( 3564 PWs) bands (ev): -45.2335 -45.2335 -22.8811 -22.8613 -20.8561 -20.8237 -20.7333 -20.7288 -5.4648 -5.4615 -5.4289 -5.4285 -4.6350 -4.6294 -4.5946 -4.5922 -4.5189 -4.5161 -2.9022 -2.8633 -2.7867 -2.7857 4.5100 4.5640 4.6706 4.7639 5.6940 5.7245 6.0036 6.0384 6.6958 6.6975 6.9576 6.9637 7.6007 7.6909 9.2942 9.3596 9.6457 9.7519 11.5868 11.6808 11.8090 11.8303 12.6709 12.7190 k = 0.3925 0.4749 0.1841 ( 3560 PWs) bands (ev): -45.2333 -45.2333 -22.8818 -22.8614 -20.8561 -20.8218 -20.7363 -20.7307 -5.4639 -5.4603 -5.4283 -5.4279 -4.6328 -4.6268 -4.5942 -4.5917 -4.5226 -4.5198 -2.8923 -2.8521 -2.7805 -2.7795 4.5569 4.6169 4.6685 4.7670 5.7021 5.7360 5.9871 6.0301 6.5939 6.5956 6.9524 6.9568 7.6414 7.7309 9.3076 9.3801 9.6780 9.7870 11.4398 11.5355 11.7972 11.8117 12.6656 12.7090 k = 0.3871 0.4842 0.1841 ( 3556 PWs) bands (ev): -45.2331 -45.2331 -22.8824 -22.8615 -20.8562 -20.8199 -20.7392 -20.7325 -5.4630 -5.4593 -5.4276 -5.4274 -4.6306 -4.6242 -4.5938 -4.5910 -4.5264 -4.5236 -2.8828 -2.8413 -2.7745 -2.7736 4.6029 4.6674 4.6715 4.7687 5.7092 5.7467 5.9747 6.0255 6.4885 6.4936 6.9489 6.9546 7.6823 7.7709 9.3217 9.4027 9.7102 9.8221 11.2910 11.3926 11.7826 11.7930 12.6634 12.7032 k = 0.3817 0.4935 0.1841 ( 3560 PWs) bands (ev): -45.2330 -45.2330 -22.8831 -22.8616 -20.8563 -20.8181 -20.7420 -20.7342 -5.4623 -5.4584 -5.4270 -5.4268 -4.6284 -4.6217 -4.5933 -4.5903 -4.5302 -4.5274 -2.8735 -2.8309 -2.7688 -2.7679 4.6377 4.6774 4.7276 4.7691 5.7152 5.7562 5.9661 6.0243 6.3843 6.3946 6.9448 6.9534 7.7230 7.8108 9.3361 9.4273 9.7420 9.8571 11.1438 11.2540 11.7655 11.7725 12.6655 12.7018 k = 0.3763 0.5029 0.1841 ( 3560 PWs) bands (ev): -45.2329 -45.2328 -22.8837 -22.8617 -20.8565 -20.8164 -20.7447 -20.7357 -5.4617 -5.4577 -5.4263 -5.4263 -4.6264 -4.6193 -4.5927 -4.5895 -4.5339 -4.5311 -2.8647 -2.8211 -2.7635 -2.7625 4.6436 4.7159 4.7672 4.7859 5.7196 5.7637 5.9608 6.0262 6.2838 6.3007 6.9396 6.9519 7.7634 7.8503 9.3506 9.4537 9.7729 9.8915 11.0003 11.1214 11.7464 11.7501 12.6724 12.7049 k = 0.3710 0.5122 0.1841 ( 3556 PWs) bands (ev): -45.2327 -45.2327 -22.8842 -22.8618 -20.8566 -20.8148 -20.7472 -20.7370 -5.4612 -5.4569 -5.4257 -5.4257 -4.6244 -4.6170 -4.5919 -4.5884 -4.5375 -4.5347 -2.8565 -2.8120 -2.7585 -2.7575 4.6398 4.7634 4.7654 4.8438 5.7218 5.7684 5.9574 6.0304 6.1896 6.2143 6.9328 6.9496 7.8028 7.8888 9.3644 9.4814 9.8025 9.9248 10.8626 10.9970 11.7259 11.7263 12.6839 12.7120 k = 0.3656 0.5215 0.1841 ( 3556 PWs) bands (ev): -45.2326 -45.2325 -22.8847 -22.8619 -20.8568 -20.8133 -20.7495 -20.7381 -5.4608 -5.4564 -5.4253 -5.4252 -4.6226 -4.6149 -4.5910 -4.5873 -4.5410 -4.5382 -2.8489 -2.8036 -2.7540 -2.7530 4.6342 4.7624 4.8114 4.9024 5.7204 5.7688 5.9534 6.0347 6.1063 6.1396 6.9247 6.9463 7.8408 7.9258 9.3766 9.5099 9.8303 9.9565 10.7330 10.8831 11.7019 11.7048 12.6997 12.7225 k = 0.3602 0.5308 0.1841 ( 3552 PWs) bands (ev): -45.2325 -45.2324 -22.8852 -22.8620 -20.8570 -20.8120 -20.7515 -20.7391 -5.4604 -5.4559 -5.4248 -5.4247 -4.6211 -4.6131 -4.5899 -4.5861 -4.5442 -4.5413 -2.8422 -2.7963 -2.7500 -2.7490 4.6283 4.7588 4.8578 4.9605 5.7131 5.7631 5.9419 6.0300 6.0437 6.0881 6.9156 6.9423 7.8763 7.9605 9.3866 9.5380 9.8554 9.9856 10.6142 10.7823 11.6782 11.6844 12.7191 12.7357 k = 0.3548 0.5401 0.1841 ( 3552 PWs) bands (ev): -45.2324 -45.2323 -22.8855 -22.8622 -20.8572 -20.8109 -20.7532 -20.7399 -5.4601 -5.4555 -5.4245 -5.4243 -4.6198 -4.6116 -4.5888 -4.5848 -4.5471 -4.5442 -2.8365 -2.7899 -2.7466 -2.7457 4.6226 4.7551 4.9009 5.0169 5.6963 5.7496 5.9148 6.0017 6.0140 6.0770 6.9060 6.9378 7.9085 7.9920 9.3933 9.5641 9.8772 10.0114 10.5095 10.6971 11.6564 11.6655 12.7410 12.7503 k = 0.3495 0.5494 0.1841 ( 3564 PWs) bands (ev): -45.2324 -45.2324 -22.8858 -22.8623 -20.8574 -20.8100 -20.7546 -20.7405 -5.4600 -5.4553 -5.4243 -5.4241 -4.6188 -4.6105 -4.5878 -4.5836 -4.5497 -4.5467 -2.8318 -2.7848 -2.7438 -2.7429 4.6176 4.7516 4.9384 5.0692 5.6683 5.7292 5.8854 5.9731 6.0073 6.0828 6.8967 6.9332 7.9361 8.0190 9.3964 9.5861 9.8951 10.0329 10.4228 10.6296 11.6378 11.6494 12.7642 12.7650 k = 0.3441 0.5587 0.1841 ( 3578 PWs) bands (ev): -45.2325 -45.2324 -22.8861 -22.8623 -20.8575 -20.8094 -20.7556 -20.7409 -5.4599 -5.4552 -5.4241 -5.4239 -4.6182 -4.6098 -4.5870 -4.5826 -4.5518 -4.5487 -2.8283 -2.7810 -2.7418 -2.7409 4.6136 4.7486 4.9679 5.1140 5.6341 5.7068 5.8668 5.9557 6.0081 6.0906 6.8887 6.9291 7.9577 8.0401 9.3963 9.6021 9.9085 10.0493 10.3583 10.5814 11.6234 11.6371 12.7782 12.7864 k = 0.3387 0.5680 0.1841 ( 3572 PWs) bands (ev): -45.2324 -45.2323 -22.8862 -22.8624 -20.8576 -20.8090 -20.7562 -20.7412 -5.4598 -5.4551 -5.4239 -5.4237 -4.6178 -4.6093 -4.5863 -4.5818 -4.5529 -4.5498 -2.8261 -2.7786 -2.7405 -2.7397 4.6111 4.7466 4.9869 5.1454 5.6055 5.6896 5.8583 5.9475 6.0102 6.0967 6.8830 6.9262 7.9716 8.0538 9.3944 9.6107 9.9168 10.0595 10.3191 10.5530 11.6144 11.6293 12.7878 12.8040 k = 0.3333 0.5774 0.1841 ( 3576 PWs) bands (ev): -45.2324 -45.2324 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7413 -5.4598 -5.4551 -5.4239 -5.4237 -4.6177 -4.6091 -4.5861 -4.5816 -4.5534 -4.5502 -2.8253 -2.7778 -2.7401 -2.7392 4.6102 4.7459 4.9934 5.1569 5.5942 5.6831 5.8561 5.9452 6.0113 6.0991 6.8809 6.9251 7.9765 8.0587 9.3930 9.6128 9.9196 10.0631 10.3063 10.5438 11.6114 11.6267 12.7916 12.8113 k = 0.3333 0.5774 0.1841 ( 3576 PWs) bands (ev): -45.2324 -45.2324 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7413 -5.4598 -5.4551 -5.4239 -5.4237 -4.6177 -4.6091 -4.5861 -4.5816 -4.5534 -4.5502 -2.8253 -2.7778 -2.7401 -2.7392 4.6102 4.7459 4.9934 5.1569 5.5942 5.6831 5.8561 5.9452 6.0113 6.0991 6.8809 6.9251 7.9765 8.0587 9.3930 9.6128 9.9196 10.0631 10.3063 10.5438 11.6114 11.6267 12.7916 12.8113 k = 0.3280 0.5680 0.1841 ( 3580 PWs) bands (ev): -45.2325 -45.2324 -22.8862 -22.8624 -20.8576 -20.8090 -20.7562 -20.7412 -5.4599 -5.4552 -5.4240 -5.4238 -4.6178 -4.6093 -4.5864 -4.5819 -4.5530 -4.5499 -2.8261 -2.7787 -2.7405 -2.7397 4.6111 4.7467 4.9871 5.1457 5.6058 5.6898 5.8578 5.9470 6.0099 6.0963 6.8834 6.9264 7.9714 8.0535 9.3954 9.6122 9.9167 10.0594 10.3180 10.5524 11.6144 11.6293 12.7872 12.8027 k = 0.3226 0.5587 0.1841 ( 3572 PWs) bands (ev): -45.2324 -45.2324 -22.8860 -22.8623 -20.8575 -20.8093 -20.7556 -20.7410 -5.4599 -5.4552 -5.4241 -5.4239 -4.6182 -4.6097 -4.5869 -4.5825 -4.5518 -4.5488 -2.8285 -2.7813 -2.7419 -2.7410 4.6143 4.7493 4.9697 5.1160 5.6367 5.7088 5.8626 5.9521 6.0051 6.0872 6.8914 6.9307 7.9556 8.0376 9.4046 9.6139 9.9077 10.0486 10.3502 10.5769 11.6231 11.6367 12.7733 12.7780 k = 0.3172 0.5494 0.1841 ( 3564 PWs) bands (ev): -45.2324 -45.2324 -22.8858 -22.8622 -20.8572 -20.8097 -20.7548 -20.7406 -5.4600 -5.4553 -5.4242 -5.4240 -4.6187 -4.6104 -4.5877 -4.5836 -4.5500 -4.5470 -2.8327 -2.7858 -2.7442 -2.7433 4.6196 4.7540 4.9442 5.0754 5.6783 5.7366 5.8711 5.9605 5.9968 6.0714 6.9054 6.9381 7.9298 8.0111 9.4230 9.6225 9.8928 10.0309 10.3985 10.6152 11.6363 11.6481 12.7420 12.7502 k = 0.3118 0.5401 0.1841 ( 3556 PWs) bands (ev): -45.2324 -45.2324 -22.8854 -22.8620 -20.8568 -20.8103 -20.7536 -20.7401 -5.4600 -5.4554 -5.4245 -5.4243 -4.6195 -4.6114 -4.5886 -4.5847 -4.5478 -4.5449 -2.8388 -2.7922 -2.7476 -2.7466 4.6274 4.7608 4.9136 5.0300 5.7203 5.7683 5.8856 5.9723 5.9862 6.0505 6.9255 6.9489 7.8954 7.9750 9.4517 9.6411 9.8721 10.0069 10.4594 10.6654 11.6525 11.6619 12.7003 12.7200 k = 0.3065 0.5308 0.1841 ( 3548 PWs) bands (ev): -45.2325 -45.2324 -22.8850 -22.8618 -20.8563 -20.8108 -20.7522 -20.7395 -5.4602 -5.4556 -5.4248 -5.4247 -4.6205 -4.6127 -4.5896 -4.5859 -4.5454 -4.5426 -2.8467 -2.8007 -2.7519 -2.7510 4.6376 4.7699 4.8807 4.9836 5.7521 5.7979 5.9060 5.9797 5.9799 6.0353 6.9510 6.9625 7.8545 7.9313 9.4912 9.6711 9.8465 9.9773 10.5301 10.7260 11.6690 11.6760 12.6573 12.6860 k = 0.3011 0.5215 0.1841 ( 3548 PWs) bands (ev): -45.2326 -45.2326 -22.8844 -22.8615 -20.8556 -20.8114 -20.7506 -20.7387 -5.4603 -5.4559 -5.4253 -5.4252 -4.6218 -4.6143 -4.5904 -4.5871 -4.5429 -4.5402 -2.8567 -2.8113 -2.7573 -2.7563 4.6502 4.7811 4.8478 4.9385 5.7675 5.8203 5.9133 5.9587 6.0002 6.0537 6.9783 6.9812 7.8099 7.8821 9.5406 9.7126 9.8169 9.9430 10.6088 10.7955 11.6830 11.6877 12.6169 12.6521 k = 0.2957 0.5122 0.1841 ( 3552 PWs) bands (ev): -45.2328 -45.2328 -22.8837 -22.8612 -20.8548 -20.8119 -20.7489 -20.7379 -5.4606 -5.4562 -5.4258 -5.4258 -4.6232 -4.6161 -4.5912 -4.5883 -4.5405 -4.5378 -2.8686 -2.8240 -2.7638 -2.7628 4.6650 4.7944 4.8165 4.8963 5.7669 5.8320 5.9001 5.9200 6.0536 6.0972 6.9952 7.0147 7.7648 7.8302 9.5983 9.7650 9.7852 9.9051 10.6939 10.8727 11.6911 11.6941 12.5827 12.6221 k = 0.2903 0.5029 0.1841 ( 3558 PWs) bands (ev): -45.2331 -45.2330 -22.8829 -22.8607 -20.8537 -20.8124 -20.7471 -20.7370 -5.4608 -5.4566 -5.4265 -5.4265 -4.6247 -4.6181 -4.5919 -4.5894 -4.5382 -4.5354 -2.8827 -2.8389 -2.7713 -2.7703 4.6813 4.7884 4.8092 4.8579 5.7523 5.8262 5.8822 5.8827 6.1214 6.1530 7.0114 7.0501 7.7223 7.7784 9.6576 9.7579 9.8274 9.8646 10.7845 10.9566 11.6901 11.6923 12.5576 12.5990 k = 0.2849 0.4935 0.1841 ( 3554 PWs) bands (ev): -45.2333 -45.2332 -22.8820 -22.8602 -20.8525 -20.8127 -20.7451 -20.7360 -5.4611 -5.4570 -5.4271 -5.4271 -4.6262 -4.6201 -4.5925 -4.5904 -4.5358 -4.5331 -2.8989 -2.8561 -2.7799 -2.7788 4.6974 4.7657 4.8167 4.8323 5.7252 5.7889 5.8657 5.8663 6.1958 6.2166 7.0253 7.0853 7.6856 7.7298 9.6788 9.7748 9.8223 9.8989 10.8797 11.0464 11.6779 11.6800 12.5431 12.5849 k = 0.2796 0.4842 0.1841 ( 3554 PWs) bands (ev): -45.2336 -45.2335 -22.8809 -22.8596 -20.8511 -20.8129 -20.7431 -20.7350 -5.4614 -5.4574 -5.4279 -5.4278 -4.6278 -4.6223 -4.5929 -4.5912 -4.5336 -4.5309 -2.9172 -2.8754 -2.7896 -2.7885 4.7068 4.7552 4.7901 4.8459 5.6882 5.7330 5.8531 5.8591 6.2740 6.2853 7.0346 7.1178 7.6577 7.6877 9.6502 9.7791 9.8476 9.9784 10.9786 11.1415 11.6536 11.6561 12.5393 12.5804 k = 0.2742 0.4749 0.1841 ( 3550 PWs) bands (ev): -45.2338 -45.2338 -22.8797 -22.8589 -20.8494 -20.8129 -20.7410 -20.7339 -5.4616 -5.4578 -5.4287 -5.4286 -4.6294 -4.6244 -4.5932 -4.5920 -4.5316 -4.5289 -2.9376 -2.8970 -2.8003 -2.7992 4.7016 4.7643 4.7644 4.8631 5.6452 5.6711 5.8414 5.8526 6.3544 6.3574 7.0379 7.1446 7.6411 7.6558 9.6122 9.7357 9.9358 10.0651 11.0803 11.2413 11.6186 11.6209 12.5441 12.5841 k = 0.2688 0.4656 0.1841 ( 3548 PWs) bands (ev): -45.2341 -45.2341 -22.8784 -22.8582 -20.8475 -20.8127 -20.7388 -20.7327 -5.4619 -5.4582 -5.4295 -5.4293 -4.6311 -4.6265 -4.5935 -4.5926 -4.5299 -4.5272 -2.9601 -2.9207 -2.8121 -2.8110 4.6908 4.7430 4.7832 4.8787 5.5999 5.6072 5.8301 5.8445 6.4319 6.4363 7.0341 7.1623 7.6370 7.6377 9.5725 9.6928 10.0319 10.1584 11.1827 11.3450 11.5758 11.5761 12.5543 12.5933 k = 0.2634 0.4563 0.1841 ( 3548 PWs) bands (ev): -45.2345 -45.2344 -22.8770 -22.8573 -20.8455 -20.8123 -20.7367 -20.7315 -5.4622 -5.4587 -5.4304 -5.4301 -4.6327 -4.6286 -4.5938 -4.5932 -4.5284 -4.5256 -2.9847 -2.9466 -2.8248 -2.8237 4.6815 4.7260 4.8033 4.8903 5.5442 5.5562 5.8182 5.8345 6.5081 6.5193 7.0237 7.1686 7.6360 7.6452 9.5329 9.6510 10.1341 10.2575 11.2805 11.4512 11.5240 11.5335 12.5661 12.6047 k = 0.2581 0.4470 0.1841 ( 3552 PWs) bands (ev): -45.2349 -45.2349 -22.8755 -22.8563 -20.8431 -20.8118 -20.7345 -20.7302 -5.4626 -5.4592 -5.4313 -5.4310 -4.6343 -4.6307 -4.5940 -4.5938 -4.5271 -4.5244 -3.0114 -2.9746 -2.8386 -2.8375 4.6753 4.7136 4.8203 4.8946 5.4853 5.5186 5.8054 5.8227 6.5853 6.6029 7.0081 7.1637 7.6507 7.6643 9.4942 9.6107 10.2417 10.3620 11.3489 11.4614 11.5171 11.5654 12.5759 12.6145 k = 0.2527 0.4377 0.1841 ( 3548 PWs) bands (ev): -45.2353 -45.2353 -22.8738 -22.8553 -20.8406 -20.8110 -20.7323 -20.7290 -5.4629 -5.4597 -5.4322 -5.4318 -4.6357 -4.6326 -4.5942 -4.5941 -4.5262 -4.5235 -3.0400 -3.0046 -2.8533 -2.8523 4.6727 4.7054 4.8303 4.8880 5.4347 5.4916 5.7915 5.8091 6.6632 6.6867 6.9892 7.1500 7.6793 7.6923 9.4571 9.5724 10.3541 10.4714 11.3410 11.3992 11.5757 11.6779 12.5808 12.6199 k = 0.2473 0.4284 0.1841 ( 3540 PWs) bands (ev): -45.2357 -45.2356 -22.8720 -22.8541 -20.8378 -20.8100 -20.7301 -20.7276 -5.4632 -5.4602 -5.4331 -5.4326 -4.6371 -4.6344 -4.5946 -4.5942 -4.5255 -4.5228 -3.0705 -3.0366 -2.8690 -2.8679 4.6733 4.7011 4.8287 4.8674 5.3977 5.4793 5.7763 5.7941 6.7413 6.7706 6.9690 7.1310 7.7180 7.7271 9.4220 9.5362 10.4709 10.5851 11.2909 11.3340 11.6761 11.7931 12.5787 12.6183 k = 0.2419 0.4190 0.1841 ( 3540 PWs) bands (ev): -45.2362 -45.2361 -22.8701 -22.8529 -20.8349 -20.8088 -20.7279 -20.7263 -5.4636 -5.4608 -5.4340 -5.4335 -4.6384 -4.6361 -4.5949 -4.5943 -4.5252 -4.5225 -3.1029 -3.0704 -2.8855 -2.8845 4.6763 4.7002 4.8117 4.8320 5.3787 5.4834 5.7600 5.7778 6.8194 6.8541 6.9490 7.1099 7.7638 7.7669 9.3891 9.5025 10.5914 10.7023 11.2313 11.2680 11.7867 11.9096 12.5686 12.6086 k = 0.2366 0.4097 0.1841 ( 3540 PWs) bands (ev): -45.2367 -45.2366 -22.8681 -22.8515 -20.8317 -20.8074 -20.7257 -20.7249 -5.4640 -5.4613 -5.4350 -5.4344 -4.6397 -4.6378 -4.5953 -4.5943 -4.5252 -4.5224 -3.1370 -3.1060 -2.9028 -2.9018 4.6788 4.7003 4.7807 4.7849 5.3794 5.5031 5.7427 5.7608 6.8968 6.9268 6.9406 7.0889 7.8103 7.8142 9.3587 9.4714 10.7147 10.8209 11.1715 11.2029 11.8998 12.0263 12.5506 12.5904 k = 0.2312 0.4004 0.1841 ( 3544 PWs) bands (ev): -45.2373 -45.2372 -22.8660 -22.8501 -20.8283 -20.8057 -20.7236 -20.7235 -5.4644 -5.4620 -5.4360 -5.4353 -4.6408 -4.6394 -4.5955 -4.5944 -4.5255 -4.5228 -3.1727 -3.1432 -2.9209 -2.9200 4.6692 4.6880 4.7421 4.7487 5.3979 5.5362 5.7248 5.7438 6.9127 6.9727 7.0203 7.0704 7.8561 7.8673 9.3310 9.4430 10.8381 10.9323 11.1228 11.1421 12.0120 12.1418 12.5253 12.5643 k = 0.2258 0.3911 0.1841 ( 3540 PWs) bands (ev): -45.2378 -45.2378 -22.8638 -22.8486 -20.8247 -20.8039 -20.7221 -20.7213 -5.4648 -5.4625 -5.4369 -5.4362 -4.6419 -4.6408 -4.5957 -4.5943 -4.5261 -4.5234 -3.2099 -3.1819 -2.9398 -2.9388 4.6261 4.6340 4.7354 4.7408 5.4296 5.5796 5.7070 5.7279 6.8987 7.0339 7.0680 7.1015 7.9034 7.9222 9.3060 9.4172 10.9460 10.9822 11.1017 11.1403 12.1204 12.2541 12.4942 12.5312 k = 0.2204 0.3818 0.1841 ( 3536 PWs) bands (ev): -45.2384 -45.2383 -22.8615 -22.8470 -20.8210 -20.8018 -20.7207 -20.7191 -5.4652 -5.4631 -5.4378 -5.4370 -4.6428 -4.6420 -4.5959 -4.5943 -4.5271 -4.5243 -3.2485 -3.2220 -2.9592 -2.9584 4.5591 4.5607 4.7442 4.7505 5.4694 5.6296 5.6912 5.7153 6.8877 7.0316 7.1307 7.1814 7.9515 7.9778 9.2838 9.3941 10.9460 10.9645 11.1558 11.2492 12.2210 12.3601 12.4596 12.4925 k = 0.2151 0.3725 0.1841 ( 3540 PWs) bands (ev): -45.2390 -45.2390 -22.8591 -22.8453 -20.8170 -20.7996 -20.7192 -20.7169 -5.4657 -5.4638 -5.4388 -5.4379 -4.6436 -4.6433 -4.5961 -4.5943 -4.5283 -4.5256 -3.2884 -3.2634 -2.9793 -2.9785 4.4812 4.4824 4.7567 4.7658 5.5111 5.6598 5.7030 5.7102 6.8800 7.0213 7.2032 7.2596 7.9999 8.0335 9.2645 9.3736 10.8927 10.9181 11.2800 11.3810 12.3046 12.4281 12.4492 12.4561 k = 0.2097 0.3632 0.1841 ( 3536 PWs) bands (ev): -45.2396 -45.2396 -22.8566 -22.8435 -20.8129 -20.7972 -20.7177 -20.7147 -5.4661 -5.4644 -5.4397 -5.4388 -4.6444 -4.6443 -4.5962 -4.5942 -4.5298 -4.5271 -3.3295 -3.3059 -2.9999 -2.9992 4.3985 4.4008 4.7705 4.7829 5.5461 5.6495 5.7204 5.7626 6.8759 7.0136 7.2748 7.3358 8.0481 8.0890 9.2479 9.3555 10.8380 10.8632 11.4179 11.5196 12.3358 12.4041 12.4324 12.5352 k = 0.2043 0.3539 0.1841 ( 3528 PWs) bands (ev): -45.2402 -45.2402 -22.8540 -22.8416 -20.8087 -20.7946 -20.7161 -20.7125 -5.4666 -5.4650 -5.4406 -5.4396 -4.6453 -4.6450 -4.5963 -4.5942 -4.5315 -4.5288 -3.3715 -3.3494 -3.0210 -3.0203 4.3140 4.3168 4.7839 4.7998 5.5665 5.6371 5.7533 5.8317 6.8754 7.0092 7.3444 7.4095 8.0958 8.1437 9.2340 9.3397 10.7851 10.8084 11.5606 11.6618 12.3072 12.3573 12.4773 12.5942 k = 0.1989 0.3445 0.1841 ( 3532 PWs) bands (ev): -45.2410 -45.2409 -22.8514 -22.8396 -20.8044 -20.7918 -20.7145 -20.7103 -5.4670 -5.4657 -5.4416 -5.4406 -4.6462 -4.6456 -4.5963 -4.5941 -4.5336 -4.5308 -3.4144 -3.3937 -3.0425 -3.0418 4.2288 4.2316 4.7956 4.8146 5.5750 5.6279 5.8068 5.9055 6.8786 7.0084 7.4116 7.4802 8.1427 8.1974 9.2230 9.3262 10.7349 10.7556 11.7054 11.8059 12.2663 12.3105 12.5158 12.6319 k = 0.1935 0.3352 0.1841 ( 3528 PWs) bands (ev): -45.2416 -45.2416 -22.8486 -22.8376 -20.7999 -20.7889 -20.7128 -20.7080 -5.4675 -5.4663 -5.4425 -5.4415 -4.6470 -4.6461 -4.5964 -4.5940 -4.5358 -4.5331 -3.4581 -3.4387 -3.0643 -3.0637 4.1434 4.1461 4.8043 4.8259 5.5801 5.6238 5.8734 5.9829 6.8858 7.0113 7.4758 7.5475 8.1885 8.2498 9.2146 9.3149 10.6879 10.7056 11.8504 11.9497 12.2242 12.2652 12.5412 12.6523 k = 0.1882 0.3259 0.1841 ( 3534 PWs) bands (ev): -45.2424 -45.2424 -22.8459 -22.8356 -20.7954 -20.7859 -20.7110 -20.7057 -5.4680 -5.4670 -5.4435 -5.4424 -4.6477 -4.6466 -4.5964 -4.5940 -4.5383 -4.5356 -3.5023 -3.4843 -3.0864 -3.0859 4.0585 4.0609 4.8086 4.8320 5.5877 5.6260 5.9478 6.0632 6.8968 7.0180 7.5367 7.6109 8.2331 8.3006 9.2090 9.3056 10.6443 10.6587 11.9923 12.0885 12.1842 12.2231 12.5592 12.6628 k = 0.1828 0.3166 0.1841 ( 3534 PWs) bands (ev): -45.2432 -45.2431 -22.8431 -22.8334 -20.7909 -20.7828 -20.7092 -20.7034 -5.4685 -5.4676 -5.4445 -5.4434 -4.6483 -4.6469 -4.5965 -4.5939 -4.5410 -4.5383 -3.5470 -3.5302 -3.1087 -3.1082 3.9743 3.9765 4.8074 4.8317 5.6015 5.6357 6.0272 6.1459 6.9120 7.0284 7.5936 7.6696 8.2762 8.3498 9.2063 9.2983 10.6044 10.6151 12.1188 12.1427 12.1928 12.2185 12.5822 12.6719 k = 0.1774 0.3073 0.1841 ( 3534 PWs) bands (ev): -45.2439 -45.2439 -22.8402 -22.8312 -20.7864 -20.7797 -20.7072 -20.7010 -5.4690 -5.4683 -5.4455 -5.4444 -4.6488 -4.6472 -4.5966 -4.5939 -4.5437 -4.5410 -3.5920 -3.5764 -3.1312 -3.1307 3.8913 3.8933 4.8000 4.8243 5.6232 5.6537 6.1101 6.2304 6.9313 7.0426 7.6461 7.7232 8.3177 8.3970 9.2063 9.2931 10.5683 10.5751 12.1098 12.1352 12.2608 12.3115 12.6314 12.6915 k = 0.1720 0.2980 0.1841 ( 3534 PWs) bands (ev): -45.2447 -45.2447 -22.8374 -22.8290 -20.7819 -20.7765 -20.7051 -20.6985 -5.4695 -5.4689 -5.4465 -5.4454 -4.6493 -4.6475 -4.5967 -4.5940 -4.5465 -4.5439 -3.6371 -3.6228 -3.1537 -3.1533 3.8098 3.8115 4.7861 4.8096 5.6534 5.6802 6.1957 6.3162 6.9552 7.0606 7.6938 7.7711 8.3575 8.4422 9.2091 9.2898 10.5361 10.5389 12.0805 12.1069 12.3470 12.3573 12.7244 12.7376 k = 0.1667 0.2887 0.1841 ( 3526 PWs) bands (ev): -45.2454 -45.2454 -22.8345 -22.8267 -20.7775 -20.7732 -20.7029 -20.6960 -5.4700 -5.4695 -5.4475 -5.4463 -4.6496 -4.6476 -4.5968 -4.5942 -4.5493 -4.5467 -3.6823 -3.6691 -3.1763 -3.1759 3.7298 3.7313 4.7660 4.7881 5.6919 5.7151 6.2832 6.4025 6.9837 7.0826 7.7362 7.8128 8.3955 8.4851 9.2147 9.2886 10.5067 10.5081 12.0564 12.0813 12.3669 12.3943 12.8203 12.8489 k = 0.1613 0.2794 0.1841 ( 3526 PWs) bands (ev): -45.2462 -45.2462 -22.8316 -22.8244 -20.7732 -20.7700 -20.7004 -20.6933 -5.4705 -5.4702 -5.4486 -5.4474 -4.6499 -4.6478 -4.5971 -4.5944 -4.5522 -4.5495 -3.7275 -3.7153 -3.1988 -3.1985 3.6516 3.6529 4.7403 4.7606 5.7382 5.7576 6.3720 6.4887 7.0173 7.1085 7.7729 7.8480 8.4316 8.5257 9.2228 9.2891 10.4790 10.4846 12.0380 12.0607 12.3588 12.4089 12.9291 12.9840 k = 0.1559 0.2701 0.1841 ( 3520 PWs) bands (ev): -45.2469 -45.2469 -22.8287 -22.8221 -20.7690 -20.7668 -20.6978 -20.6905 -5.4710 -5.4708 -5.4496 -5.4484 -4.6501 -4.6478 -4.5975 -4.5948 -4.5550 -4.5523 -3.7723 -3.7612 -3.2212 -3.2209 3.5754 3.5765 4.7097 4.7280 5.7914 5.8072 6.4615 6.5739 7.0564 7.1384 7.8036 7.8763 8.4657 8.5639 9.2328 9.2912 10.4562 10.4659 12.0255 12.0458 12.3428 12.4054 13.0445 13.1148 k = 0.1505 0.2607 0.1841 ( 3516 PWs) bands (ev): -45.2477 -45.2477 -22.8258 -22.8198 -20.7650 -20.7637 -20.6950 -20.6876 -5.4715 -5.4714 -5.4507 -5.4495 -4.6503 -4.6479 -4.5980 -4.5955 -4.5576 -4.5548 -3.8169 -3.8067 -3.2434 -3.2431 3.5013 3.5023 4.6750 4.6914 5.8504 5.8629 6.5511 6.6572 7.1016 7.1725 7.8283 7.8979 8.4976 8.5996 9.2443 9.2943 10.4392 10.4526 12.0191 12.0366 12.3233 12.3932 13.1499 13.2279 k = 0.1452 0.2514 0.1841 ( 3514 PWs) bands (ev): -45.2485 -45.2485 -22.8229 -22.8175 -20.7613 -20.7607 -20.6919 -20.6846 -5.4720 -5.4720 -5.4519 -5.4507 -4.6504 -4.6480 -4.5988 -4.5964 -4.5599 -4.5572 -3.8610 -3.8517 -3.2654 -3.2652 3.4294 3.4302 4.6371 4.6516 5.9146 5.9240 6.6403 6.7377 7.1532 7.2108 7.8469 7.9129 8.5275 8.6327 9.2562 9.2978 10.4286 10.4455 12.0186 12.0332 12.3025 12.3770 13.2326 13.3102 k = 0.1398 0.2421 0.1841 ( 3510 PWs) bands (ev): -45.2492 -45.2492 -22.8200 -22.8151 -20.7578 -20.7577 -20.6886 -20.6814 -5.4726 -5.4725 -5.4531 -5.4519 -4.6505 -4.6480 -4.5999 -4.5975 -4.5620 -4.5593 -3.9045 -3.8961 -3.2871 -3.2869 3.3597 3.3604 4.5968 4.6095 5.9829 5.9896 6.7284 6.8147 7.2116 7.2536 7.8596 7.9215 8.5551 8.6632 9.2675 9.3010 10.4253 10.4451 12.0239 12.0354 12.2816 12.3592 13.2848 13.3553 k = 0.1344 0.2328 0.1841 ( 3510 PWs) bands (ev): -45.2500 -45.2500 -22.8172 -22.8128 -20.7550 -20.7545 -20.6851 -20.6781 -5.4731 -5.4730 -5.4543 -5.4532 -4.6506 -4.6480 -4.6013 -4.5991 -4.5638 -4.5610 -3.9473 -3.9397 -3.3084 -3.3083 3.2924 3.2930 4.5546 4.5657 6.0549 6.0590 6.8149 6.8878 7.2766 7.3008 7.8667 7.9244 8.5806 8.6912 9.2770 9.3029 10.4302 10.4523 12.0344 12.0426 12.2615 12.3414 13.3067 13.3679 k = 0.1290 0.2235 0.1841 ( 3506 PWs) bands (ev): -45.2508 -45.2508 -22.8145 -22.8105 -20.7523 -20.7515 -20.6813 -20.6747 -5.4737 -5.4735 -5.4556 -5.4545 -4.6506 -4.6480 -4.6031 -4.6010 -4.5651 -4.5623 -3.9893 -3.9824 -3.3294 -3.3292 3.2275 3.2280 4.5112 4.5208 6.1297 6.1315 6.8991 6.9570 7.3478 7.3527 7.8687 7.9221 8.6038 8.7167 9.2836 9.3028 10.4441 10.4677 12.0498 12.0545 12.2427 12.3243 13.3040 13.3572 k = 0.1237 0.2142 0.1841 ( 3514 PWs) bands (ev): -45.2516 -45.2516 -22.8117 -22.8082 -20.7499 -20.7488 -20.6774 -20.6711 -5.4743 -5.4740 -5.4570 -5.4559 -4.6507 -4.6481 -4.6052 -4.6032 -4.5661 -4.5634 -4.0304 -4.0242 -3.3499 -3.3498 3.1651 3.1655 4.4671 4.4754 6.2067 6.2069 6.9807 7.0229 7.4090 7.4240 7.8661 7.9153 8.6249 8.7397 9.2865 9.2999 10.4674 10.4916 12.0694 12.0704 12.2259 12.3089 13.2837 13.3311 k = 0.1183 0.2049 0.1841 ( 3510 PWs) bands (ev): -45.2524 -45.2524 -22.8091 -22.8059 -20.7476 -20.7464 -20.6732 -20.6674 -5.4748 -5.4745 -5.4583 -5.4572 -4.6507 -4.6481 -4.6076 -4.6057 -4.5667 -4.5640 -4.0705 -4.0650 -3.3698 -3.3698 3.1052 3.1055 4.4227 4.4298 6.2840 6.2859 7.0593 7.0862 7.4696 7.5039 7.8595 7.9047 8.6438 8.7601 9.2852 9.2939 10.5002 10.5243 12.0896 12.0926 12.2114 12.2956 13.2512 13.2949 k = 0.1129 0.1956 0.1841 ( 3500 PWs) bands (ev): -45.2530 -45.2530 -22.8065 -22.8037 -20.7455 -20.7442 -20.6689 -20.6636 -5.4753 -5.4749 -5.4596 -5.4585 -4.6506 -4.6481 -4.6101 -4.6084 -4.5668 -4.5642 -4.1095 -4.1045 -3.3893 -3.3892 3.0478 3.0481 4.3783 4.3844 6.3629 6.3662 7.1348 7.1477 7.5340 7.5862 7.8497 7.8910 8.6606 8.7781 9.2794 9.2845 10.5423 10.5656 12.1112 12.1183 12.2000 12.2852 13.2105 13.2519 k = 0.1075 0.1862 0.1841 ( 3508 PWs) bands (ev): -45.2538 -45.2538 -22.8040 -22.8016 -20.7435 -20.7423 -20.6645 -20.6598 -5.4758 -5.4754 -5.4610 -5.4600 -4.6506 -4.6481 -4.6130 -4.6113 -4.5668 -4.5643 -4.1473 -4.1429 -3.4081 -3.4081 2.9931 2.9933 4.3344 4.3395 6.4428 6.4474 7.2074 7.2081 7.6011 7.6694 7.8374 7.8750 8.6753 8.7936 9.2695 9.2718 10.5933 10.6150 12.1340 12.1446 12.1932 12.2786 13.1642 13.2042 k = 0.1022 0.1769 0.1841 ( 3500 PWs) bands (ev): -45.2545 -45.2545 -22.8015 -22.7994 -20.7417 -20.7405 -20.6601 -20.6558 -5.4762 -5.4758 -5.4624 -5.4614 -4.6505 -4.6481 -4.6158 -4.6142 -4.5665 -4.5640 -4.1838 -4.1799 -3.4263 -3.4263 2.9409 2.9411 4.2911 4.2955 6.5233 6.5290 7.2679 7.2774 7.6698 7.7522 7.8236 7.8576 8.6880 8.8065 9.2559 9.2563 10.6521 10.6720 12.1566 12.1639 12.1983 12.2768 13.1144 13.1536 k = 0.0968 0.1676 0.1841 ( 3500 PWs) bands (ev): -45.2552 -45.2552 -22.7992 -22.7974 -20.7401 -20.7390 -20.6556 -20.6519 -5.4767 -5.4762 -5.4638 -5.4629 -4.6505 -4.6481 -4.6188 -4.6173 -4.5660 -4.5636 -4.2190 -4.2155 -3.4438 -3.4438 2.8913 2.8915 4.2488 4.2525 6.6040 6.6105 7.3273 7.3451 7.7367 7.8112 7.8258 7.8468 8.6986 8.8169 9.2383 9.2391 10.7180 10.7357 12.1691 12.1770 12.2220 12.2814 13.0624 13.1012 k = 0.0914 0.1583 0.1841 ( 3498 PWs) bands (ev): -45.2558 -45.2558 -22.7969 -22.7954 -20.7386 -20.7376 -20.6511 -20.6479 -5.4771 -5.4766 -5.4653 -5.4644 -4.6504 -4.6481 -4.6217 -4.6203 -4.5654 -4.5631 -4.2527 -4.2497 -3.4606 -3.4606 2.8444 2.8446 4.2077 4.2108 6.6844 6.6915 7.3865 7.4109 7.7741 7.8167 7.8277 7.9163 8.7072 8.8248 9.2184 9.2200 10.7900 10.8054 12.1709 12.1937 12.2531 12.2935 13.0094 13.0479 k = 0.0860 0.1490 0.1841 ( 3506 PWs) bands (ev): -45.2565 -45.2565 -22.7948 -22.7935 -20.7373 -20.7364 -20.6467 -20.6440 -5.4775 -5.4771 -5.4668 -5.4660 -4.6504 -4.6482 -4.6247 -4.6234 -4.5647 -4.5625 -4.2849 -4.2822 -3.4767 -3.4767 2.8002 2.8003 4.1681 4.1705 6.7640 6.7716 7.4453 7.4748 7.7648 7.7978 7.8900 7.9926 8.7139 8.8299 9.1971 9.1991 10.8671 10.8802 12.1745 12.2067 12.2858 12.3126 12.9563 12.9945 k = 0.0806 0.1397 0.1841 ( 3502 PWs) bands (ev): -45.2571 -45.2571 -22.7928 -22.7917 -20.7362 -20.7354 -20.6424 -20.6401 -5.4779 -5.4774 -5.4682 -5.4674 -4.6503 -4.6483 -4.6275 -4.6263 -4.5638 -4.5618 -4.3156 -4.3132 -3.4919 -3.4919 2.7586 2.7587 4.1299 4.1320 6.8424 6.8503 7.5032 7.5364 7.7501 7.7800 7.9570 8.0657 8.7185 8.8324 9.1750 9.1771 10.9484 10.9593 12.1809 12.2179 12.3189 12.3366 12.9039 12.9417 k = 0.0753 0.1304 0.1841 ( 3498 PWs) bands (ev): -45.2577 -45.2577 -22.7908 -22.7899 -20.7351 -20.7345 -20.6382 -20.6363 -5.4783 -5.4778 -5.4695 -5.4688 -4.6501 -4.6483 -4.6302 -4.6290 -4.5630 -4.5611 -4.3446 -4.3425 -3.5063 -3.5063 2.7197 2.7198 4.0936 4.0952 6.9190 6.9271 7.5584 7.5935 7.7382 7.7652 8.0225 8.1344 8.7212 8.8320 9.1525 9.1547 11.0331 11.0419 12.1903 12.2289 12.3514 12.3631 12.8529 12.8902 k = 0.0699 0.1211 0.1841 ( 3502 PWs) bands (ev): -45.2583 -45.2583 -22.7890 -22.7883 -20.7342 -20.7336 -20.6342 -20.6326 -5.4786 -5.4781 -5.4709 -5.4702 -4.6500 -4.6483 -4.6329 -4.6318 -4.5621 -4.5604 -4.3719 -4.3701 -3.5199 -3.5199 2.6835 2.6835 4.0591 4.0604 6.9934 7.0014 7.6066 7.6382 7.7382 7.7582 8.0853 8.1982 8.7220 8.8288 9.1302 9.1321 11.1203 11.1273 12.2026 12.2409 12.3829 12.3906 12.8039 12.8405 k = 0.0645 0.1117 0.1841 ( 3506 PWs) bands (ev): -45.2588 -45.2588 -22.7873 -22.7868 -20.7333 -20.7329 -20.6303 -20.6291 -5.4790 -5.4785 -5.4722 -5.4716 -4.6500 -4.6484 -4.6353 -4.6343 -4.5612 -4.5596 -4.3974 -4.3958 -3.5325 -3.5325 2.6500 2.6500 4.0267 4.0277 7.0649 7.0729 7.6381 7.6545 7.7664 7.7690 8.1446 8.2565 8.7208 8.8227 9.1083 9.1100 11.2094 11.2147 12.2176 12.2543 12.4130 12.4178 12.7577 12.7932 k = 0.0591 0.1024 0.1841 ( 3514 PWs) bands (ev): -45.2594 -45.2594 -22.7858 -22.7853 -20.7326 -20.7323 -20.6267 -20.6257 -5.4793 -5.4789 -5.4735 -5.4730 -4.6499 -4.6485 -4.6376 -4.6367 -4.5604 -4.5589 -4.4211 -4.4197 -3.5443 -3.5443 2.6191 2.6191 3.9964 3.9972 7.1332 7.1409 7.6464 7.6494 7.8041 7.8163 8.1999 8.3089 8.7177 8.8136 9.0872 9.0886 11.2997 11.3036 12.2348 12.2690 12.4412 12.4440 12.7146 12.7488 k = 0.0538 0.0931 0.1841 ( 3510 PWs) bands (ev): -45.2598 -45.2598 -22.7843 -22.7840 -20.7320 -20.7317 -20.6233 -20.6226 -5.4796 -5.4792 -5.4747 -5.4741 -4.6498 -4.6485 -4.6396 -4.6388 -4.5595 -4.5582 -4.4430 -4.4418 -3.5551 -3.5551 2.5909 2.5910 3.9685 3.9690 7.1976 7.2049 7.6381 7.6408 7.8542 7.8727 8.2509 8.3549 8.7128 8.8017 9.0672 9.0683 11.3906 11.3932 12.2536 12.2847 12.4671 12.4686 12.6756 12.7081 k = 0.0484 0.0838 0.1841 ( 3518 PWs) bands (ev): -45.2603 -45.2603 -22.7830 -22.7828 -20.7314 -20.7313 -20.6202 -20.6196 -5.4799 -5.4795 -5.4758 -5.4753 -4.6497 -4.6485 -4.6416 -4.6408 -4.5587 -4.5576 -4.4629 -4.4619 -3.5649 -3.5649 2.5655 2.5655 3.9428 3.9433 7.2576 7.2643 7.6258 7.6305 7.9102 7.9307 8.2972 8.3942 8.7061 8.7868 9.0484 9.0493 11.4813 11.4830 12.2733 12.3008 12.4903 12.4911 12.6412 12.6715 k = 0.0430 0.0745 0.1841 ( 3518 PWs) bands (ev): -45.2607 -45.2607 -22.7818 -22.7817 -20.7310 -20.7308 -20.6173 -20.6170 -5.4802 -5.4798 -5.4768 -5.4764 -4.6496 -4.6486 -4.6432 -4.6425 -4.5580 -4.5570 -4.4809 -4.4800 -3.5738 -3.5738 2.5427 2.5427 3.9197 3.9200 7.3125 7.3185 7.6142 7.6193 7.9682 7.9885 8.3385 8.4264 8.6981 8.7694 9.0312 9.0318 11.5713 11.5722 12.2928 12.3163 12.5103 12.5106 12.6125 12.6399 k = 0.0376 0.0652 0.1841 ( 3518 PWs) bands (ev): -45.2610 -45.2610 -22.7808 -22.7807 -20.7306 -20.7305 -20.6148 -20.6145 -5.4803 -5.4799 -5.4778 -5.4774 -4.6494 -4.6486 -4.6446 -4.6440 -4.5573 -4.5564 -4.4969 -4.4961 -3.5816 -3.5816 2.5226 2.5226 3.8991 3.8993 7.3616 7.3668 7.6042 7.6090 8.0265 8.0454 8.3743 8.4511 8.6890 8.7497 9.0156 9.0160 11.6598 11.6602 12.3111 12.3302 12.5261 12.5261 12.5908 12.6145 k = 0.0323 0.0559 0.1841 ( 3526 PWs) bands (ev): -45.2614 -45.2614 -22.7799 -22.7798 -20.7302 -20.7302 -20.6125 -20.6124 -5.4805 -5.4802 -5.4787 -5.4783 -4.6495 -4.6488 -4.6457 -4.6452 -4.5567 -4.5560 -4.5108 -4.5102 -3.5885 -3.5885 2.5051 2.5051 3.8811 3.8812 7.4041 7.4084 7.5965 7.6006 8.0841 8.1007 8.4043 8.4678 8.6793 8.7282 9.0017 9.0020 11.7459 11.7459 12.3269 12.3413 12.5355 12.5367 12.5781 12.5963 k = 0.0269 0.0466 0.1841 ( 3518 PWs) bands (ev): -45.2615 -45.2615 -22.7791 -22.7791 -20.7300 -20.7299 -20.6106 -20.6105 -5.4806 -5.4803 -5.4793 -5.4790 -4.6495 -4.6491 -4.6463 -4.6460 -4.5562 -4.5556 -4.5227 -4.5222 -3.5943 -3.5943 2.4904 2.4904 3.8658 3.8658 7.4393 7.4425 7.5916 7.5948 8.1403 8.1540 8.4276 8.4762 8.6700 8.7061 8.9899 8.9900 11.8283 11.8285 12.3391 12.3489 12.5378 12.5410 12.5745 12.5857 k = 0.0215 0.0372 0.1841 ( 3526 PWs) bands (ev): -45.2618 -45.2618 -22.7785 -22.7785 -20.7297 -20.7297 -20.6090 -20.6090 -5.4808 -5.4806 -5.4798 -5.4797 -4.6498 -4.6496 -4.6466 -4.6465 -4.5559 -4.5554 -4.5324 -4.5320 -3.5990 -3.5990 2.4783 2.4783 3.8532 3.8532 7.4662 7.4683 7.5901 7.5922 8.1944 8.2048 8.4429 8.4757 8.6617 8.6849 8.9800 8.9801 11.9056 11.9058 12.3474 12.3531 12.5374 12.5412 12.5735 12.5791 k = 0.0161 0.0279 0.1841 ( 3528 PWs) bands (ev): -45.2620 -45.2620 -22.7780 -22.7780 -20.7296 -20.7296 -20.6078 -20.6078 -5.4810 -5.4809 -5.4802 -5.4801 -4.6502 -4.6501 -4.6468 -4.6467 -4.5556 -4.5554 -4.5399 -4.5396 -3.6028 -3.6028 2.4689 2.4689 3.8433 3.8433 7.4847 7.4858 7.5919 7.5930 8.2454 8.2522 8.4486 8.4669 8.6549 8.6667 8.9722 8.9722 11.9753 11.9754 12.3520 12.3547 12.5377 12.5407 12.5680 12.5698 k = 0.0108 0.0186 0.1841 ( 3528 PWs) bands (ev): -45.2621 -45.2621 -22.7777 -22.7777 -20.7295 -20.7295 -20.6069 -20.6069 -5.4811 -5.4811 -5.4804 -5.4804 -4.6505 -4.6505 -4.6468 -4.6468 -4.5557 -4.5556 -4.5450 -4.5449 -3.6054 -3.6054 2.4623 2.4623 3.8362 3.8363 7.4956 7.4960 7.5956 7.5959 8.2917 8.2951 8.4438 8.4510 8.6498 8.6537 8.9666 8.9666 12.0332 12.0332 12.3540 12.3549 12.5386 12.5407 12.5554 12.5558 k = 0.0054 0.0093 0.1841 ( 3530 PWs) bands (ev): -45.2622 -45.2622 -22.7775 -22.7775 -20.7294 -20.7294 -20.6064 -20.6064 -5.4812 -5.4812 -5.4805 -5.4805 -4.6507 -4.6507 -4.6468 -4.6468 -4.5559 -4.5559 -4.5479 -4.5478 -3.6070 -3.6070 2.4582 2.4582 3.8320 3.8320 7.5010 7.5010 7.5990 7.5990 8.3297 8.3304 8.4306 8.4318 8.6462 8.6468 8.9633 8.9633 12.0730 12.0730 12.3547 12.3548 12.5359 12.5366 12.5445 12.5449 k = 0.0000 0.0000 0.1841 ( 3530 PWs) bands (ev): -45.2622 -45.2622 -22.7774 -22.7774 -20.7294 -20.7294 -20.6062 -20.6062 -5.4813 -5.4813 -5.4806 -5.4806 -4.6508 -4.6508 -4.6468 -4.6468 -4.5561 -4.5561 -4.5487 -4.5487 -3.6076 -3.6076 2.4569 2.4569 3.8306 3.8306 7.5025 7.5025 7.6003 7.6003 8.3471 8.3471 8.4209 8.4209 8.6448 8.6448 8.9621 8.9621 12.0874 12.0874 12.3548 12.3548 12.5309 12.5309 12.5436 12.5436 k = 0.5000 0.2887 0.1841 ( 3540 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6554 -4.6554 -4.5957 -4.5957 -4.4738 -4.4738 -3.0163 -3.0163 -2.8667 -2.8667 4.0296 4.0296 4.6284 4.6284 5.5638 5.5638 6.5218 6.5218 6.8976 6.8976 6.9674 6.9674 8.5492 8.5492 9.0607 9.0607 9.2232 9.2232 11.8649 11.8649 12.2580 12.2580 13.0218 13.0218 k = 0.5000 0.2887 0.1733 ( 3542 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6554 -4.6554 -4.5957 -4.5957 -4.4738 -4.4738 -3.0165 -3.0163 -2.8667 -2.8665 4.0281 4.0297 4.6271 4.6326 5.5557 5.5640 6.5242 6.5319 6.8972 6.8983 6.9654 6.9690 8.5475 8.5502 9.0420 9.0447 9.2354 9.2381 11.8646 11.8656 12.2576 12.2583 13.0050 13.0197 k = 0.5000 0.2887 0.1625 ( 3542 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6554 -4.6554 -4.5958 -4.5957 -4.4738 -4.4737 -3.0169 -3.0166 -2.8663 -2.8660 4.0251 4.0282 4.6287 4.6397 5.5404 5.5566 6.5389 6.5540 6.8971 6.8994 6.9630 6.9702 8.5449 8.5505 8.9997 9.0040 9.2648 9.2690 11.8646 11.8665 12.2570 12.2584 12.9732 12.9997 k = 0.5000 0.2887 0.1516 ( 3542 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6554 -4.6554 -4.5958 -4.5957 -4.4738 -4.4738 -3.0176 -3.0171 -2.8656 -2.8653 4.0209 4.0253 4.6333 4.6493 5.5189 5.5420 6.5650 6.5870 6.8976 6.9006 6.9601 6.9709 8.5413 8.5500 8.9456 8.9514 9.2990 9.3040 11.8646 11.8673 12.2562 12.2583 12.9323 12.9670 k = 0.5000 0.2887 0.1408 ( 3546 PWs) bands (ev): -45.2355 -45.2355 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4829 -5.4339 -5.4338 -4.6554 -4.6554 -4.5959 -4.5957 -4.4738 -4.4738 -3.0185 -3.0179 -2.8648 -2.8643 4.0156 4.0212 4.6406 4.6614 5.4926 5.5216 6.6010 6.6294 6.8987 6.9020 6.9570 6.9712 8.5362 8.5489 8.8850 8.8928 9.3330 9.3385 11.8643 11.8674 12.2553 12.2581 12.8879 12.9278 k = 0.5000 0.2887 0.1300 ( 3540 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4338 -4.6554 -4.6554 -4.5958 -4.5956 -4.4738 -4.4738 -3.0195 -3.0188 -2.8637 -2.8632 4.0096 4.0159 4.6505 4.6755 5.4629 5.4966 6.6450 6.6797 6.9009 6.9036 6.9537 6.9713 8.5291 8.5468 8.8199 8.8310 9.3649 9.3709 11.8630 11.8663 12.2544 12.2577 12.8442 12.8869 k = 0.5000 0.2887 0.1191 ( 3546 PWs) bands (ev): -45.2355 -45.2355 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4339 -5.4338 -4.6554 -4.6554 -4.5959 -4.5956 -4.4738 -4.4738 -3.0207 -3.0199 -2.8624 -2.8619 4.0030 4.0098 4.6627 4.6914 5.4310 5.4684 6.6946 6.7363 6.9049 6.9055 6.9503 6.9713 8.5186 8.5433 8.7520 8.7686 9.3942 9.4003 11.8601 11.8634 12.2535 12.2572 12.8038 12.8479 k = 0.5000 0.2887 0.1083 ( 3552 PWs) bands (ev): -45.2355 -45.2355 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4339 -5.4339 -4.6555 -4.6555 -4.5959 -4.5957 -4.4739 -4.4738 -3.0219 -3.0211 -2.8611 -2.8605 3.9961 4.0032 4.6768 4.7085 5.3980 5.4381 6.7465 6.7975 6.9078 6.9122 6.9473 6.9716 8.5020 8.5369 8.6838 8.7090 9.4206 9.4268 11.8552 11.8582 12.2527 12.2566 12.7685 12.8127 k = 0.5000 0.2887 0.0975 ( 3548 PWs) bands (ev): -45.2355 -45.2355 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4339 -5.4338 -4.6554 -4.6554 -4.5959 -4.5956 -4.4739 -4.4738 -3.0232 -3.0223 -2.8596 -2.8591 3.9892 3.9962 4.6925 4.7266 5.3648 5.4066 6.7949 6.8589 6.9128 6.9256 6.9455 6.9741 8.4747 8.5218 8.6217 8.6578 9.4441 9.4502 11.8480 11.8508 12.2520 12.2559 12.7395 12.7827 k = 0.5000 0.2887 0.0866 ( 3536 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4829 -5.4829 -5.4338 -5.4337 -4.6554 -4.6554 -4.5958 -4.5955 -4.4738 -4.4737 -3.0244 -3.0236 -2.8582 -2.8576 3.9824 3.9892 4.7096 4.7453 5.3324 5.3749 6.8313 6.8961 6.9308 6.9440 6.9582 6.9873 8.4323 8.4829 8.5816 8.6201 9.4647 9.4707 11.8388 11.8412 12.2514 12.2552 12.7168 12.7581 k = 0.5000 0.2887 0.0758 ( 3542 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4338 -5.4338 -4.6555 -4.6554 -4.5959 -4.5956 -4.4738 -4.4738 -3.0256 -3.0248 -2.8568 -2.8563 3.9761 3.9824 4.7275 4.7639 5.3013 5.3437 6.8524 6.9020 6.9349 6.9528 7.0181 7.0277 8.3754 8.4190 8.5656 8.5962 9.4827 9.4883 11.8279 11.8300 12.2510 12.2544 12.7003 12.7386 k = 0.5000 0.2887 0.0650 ( 3554 PWs) bands (ev): -45.2356 -45.2356 -22.8664 -22.8664 -20.8519 -20.8519 -20.6983 -20.6983 -5.4831 -5.4831 -5.4339 -5.4338 -4.6556 -4.6556 -4.5959 -4.5956 -4.4739 -4.4739 -3.0267 -3.0259 -2.8555 -2.8550 3.9703 3.9760 4.7460 4.7819 5.2724 5.3134 6.8636 6.9026 6.9347 6.9540 7.0868 7.0887 8.3099 8.3460 8.5589 8.5814 9.4980 9.5031 11.8160 11.8178 12.2506 12.2536 12.6892 12.7238 k = 0.5000 0.2887 0.0542 ( 3552 PWs) bands (ev): -45.2355 -45.2355 -22.8664 -22.8664 -20.8519 -20.8519 -20.6983 -20.6983 -5.4831 -5.4830 -5.4339 -5.4338 -4.6556 -4.6556 -4.5959 -4.5956 -4.4739 -4.4739 -3.0276 -3.0270 -2.8543 -2.8538 3.9653 3.9702 4.7644 4.7986 5.2464 5.2849 6.8702 6.9014 6.9348 6.9531 7.1524 7.1599 8.2410 8.2714 8.5554 8.5718 9.5108 9.5153 11.8040 11.8055 12.2504 12.2529 12.6826 12.7127 k = 0.5000 0.2887 0.0433 ( 3546 PWs) bands (ev): -45.2355 -45.2355 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4339 -5.4338 -4.6555 -4.6555 -4.5958 -4.5956 -4.4739 -4.4739 -3.0285 -3.0279 -2.8532 -2.8529 3.9610 3.9651 4.7823 4.8132 5.2243 5.2586 6.8747 6.8993 6.9355 6.9515 7.2187 7.2287 8.1733 8.1988 8.5533 8.5652 9.5213 9.5250 11.7927 11.7941 12.2503 12.2522 12.6795 12.7045 k = 0.5000 0.2887 0.0325 ( 3540 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4338 -5.4338 -4.6555 -4.6555 -4.5957 -4.5956 -4.4738 -4.4738 -3.0291 -3.0287 -2.8524 -2.8521 3.9578 3.9609 4.7989 4.8247 5.2071 5.2354 6.8784 6.8967 6.9368 6.9494 7.2811 7.2916 8.1111 8.1317 8.5521 8.5604 9.5295 9.5324 11.7831 11.7842 12.2502 12.2516 12.6790 12.6983 k = 0.5000 0.2887 0.0217 ( 3536 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4338 -5.4337 -4.6555 -4.6555 -4.5957 -4.5955 -4.4738 -4.4738 -3.0295 -3.0293 -2.8517 -2.8516 3.9556 3.9577 4.8134 4.8321 5.1956 5.2160 6.8816 6.8938 6.9386 6.9472 7.3347 7.3436 8.0596 8.0747 8.5516 8.5569 9.5354 9.5374 11.7758 11.7766 12.2502 12.2511 12.6803 12.6933 k = 0.5000 0.2887 0.0108 ( 3540 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4338 -5.4338 -4.6555 -4.6555 -4.5957 -4.5956 -4.4738 -4.4738 -3.0298 -3.0296 -2.8513 -2.8512 3.9544 3.9555 4.8249 4.8347 5.1908 5.2015 6.8847 6.8907 6.9406 6.9450 7.3729 7.3781 8.0258 8.0340 8.5519 8.5544 9.5392 9.5401 11.7713 11.7717 12.2503 12.2507 12.6826 12.6892 k = 0.5000 0.2887-0.0000 ( 3532 PWs) bands (ev): -45.2354 -45.2354 -22.8664 -22.8664 -20.8519 -20.8519 -20.6982 -20.6982 -5.4830 -5.4830 -5.4337 -5.4337 -4.6554 -4.6554 -4.5956 -4.5956 -4.4738 -4.4738 -3.0298 -3.0298 -2.8512 -2.8512 3.9544 3.9544 4.8322 4.8322 5.1928 5.1928 6.8877 6.8877 6.9427 6.9427 7.3887 7.3887 8.0164 8.0164 8.5528 8.5528 9.5407 9.5407 11.7699 11.7699 12.2505 12.2505 12.6857 12.6857 k = 0.3333 0.5774-0.0000 ( 3555 PWs) bands (ev): -45.2322 -45.2322 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4238 -5.4236 -4.6177 -4.6090 -4.5860 -4.5814 -4.5533 -4.5501 -2.8371 -2.7922 -2.7273 -2.7239 4.6346 4.7731 4.8908 5.0405 5.5477 5.6338 5.7175 5.7786 6.3389 6.5274 7.2438 7.2670 7.5526 7.5657 9.3464 9.4730 9.9068 10.1182 10.3500 10.3872 11.6148 11.6323 12.3367 12.3405 k = 0.3333 0.5774 0.0108 ( 3555 PWs) bands (ev): -45.2322 -45.2322 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4238 -5.4236 -4.6177 -4.6090 -4.5860 -4.5814 -4.5533 -4.5501 -2.8370 -2.7921 -2.7274 -2.7240 4.6343 4.7729 4.8916 5.0413 5.5481 5.6342 5.7187 5.7797 6.3352 6.5226 7.2409 7.2642 7.5568 7.5710 9.3467 9.4737 9.9102 10.1216 10.3464 10.3840 11.6148 11.6323 12.3424 12.3464 k = 0.3333 0.5774 0.0217 ( 3555 PWs) bands (ev): -45.2322 -45.2322 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4238 -5.4235 -4.6176 -4.6090 -4.5860 -4.5815 -4.5533 -4.5501 -2.8368 -2.7918 -2.7277 -2.7243 4.6337 4.7722 4.8938 5.0437 5.5493 5.6355 5.7221 5.7832 6.3244 6.5088 7.2322 7.2558 7.5692 7.5866 9.3476 9.4757 9.9204 10.1316 10.3359 10.3747 11.6147 11.6323 12.3593 12.3641 k = 0.3333 0.5774 0.0325 ( 3555 PWs) bands (ev): -45.2322 -45.2322 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4238 -5.4235 -4.6176 -4.6090 -4.5860 -4.5815 -4.5533 -4.5501 -2.8363 -2.7913 -2.7282 -2.7248 4.6327 4.7710 4.8974 5.0477 5.5512 5.6376 5.7277 5.7889 6.3071 6.4870 7.2179 7.2422 7.5890 7.6113 9.3492 9.4792 9.9370 10.1477 10.3192 10.3596 11.6146 11.6323 12.3867 12.3927 k = 0.3333 0.5774 0.0433 ( 3558 PWs) bands (ev): -45.2323 -45.2322 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7413 -5.4597 -5.4550 -5.4238 -5.4236 -4.6176 -4.6090 -4.5860 -4.5815 -4.5533 -4.5501 -2.8357 -2.7907 -2.7289 -2.7255 4.6313 4.7694 4.9023 5.0532 5.5538 5.6405 5.7354 5.7967 6.2845 6.4586 7.1985 7.2237 7.6153 7.6436 9.3513 9.4840 9.9594 10.1689 10.2976 10.3396 11.6144 11.6322 12.4239 12.4315 k = 0.3333 0.5774 0.0542 ( 3558 PWs) bands (ev): -45.2323 -45.2322 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4238 -5.4236 -4.6176 -4.6089 -4.5860 -4.5815 -4.5533 -4.5502 -2.8350 -2.7899 -2.7297 -2.7264 4.6295 4.7675 4.9085 5.0601 5.5569 5.6439 5.7451 5.8065 6.2577 6.4254 7.1746 7.2011 7.6469 7.6815 9.3539 9.4902 9.9868 10.1923 10.2740 10.3156 11.6142 11.6321 12.4695 12.4791 k = 0.3333 0.5774 0.0650 ( 3558 PWs) bands (ev): -45.2323 -45.2322 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4239 -5.4236 -4.6176 -4.6090 -4.5860 -4.5815 -4.5533 -4.5502 -2.8341 -2.7889 -2.7306 -2.7274 4.6276 4.7653 4.9157 5.0682 5.5606 5.6479 5.7563 5.8181 6.2280 6.3889 7.1470 7.1750 7.6822 7.7234 9.3571 9.4977 10.0181 10.2052 10.2614 10.2887 11.6140 11.6319 12.5223 12.5341 k = 0.3333 0.5774 0.0758 ( 3558 PWs) bands (ev): -45.2323 -45.2322 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4239 -5.4236 -4.6176 -4.6090 -4.5860 -4.5815 -4.5533 -4.5502 -2.8332 -2.7878 -2.7316 -2.7286 4.6255 4.7629 4.9239 5.0774 5.5646 5.6522 5.7689 5.8312 6.1968 6.3507 7.1165 7.1463 7.7199 7.7675 9.3607 9.5066 10.0524 10.1866 10.2599 10.2807 11.6138 11.6316 12.5805 12.5950 k = 0.3333 0.5774 0.0866 ( 3543 PWs) bands (ev): -45.2321 -45.2321 -22.8862 -22.8624 -20.8576 -20.8089 -20.7563 -20.7412 -5.4595 -5.4548 -5.4238 -5.4236 -4.6175 -4.6089 -4.5858 -4.5813 -4.5533 -4.5501 -2.8321 -2.7866 -2.7328 -2.7299 4.6232 4.7604 4.9328 5.0874 5.5688 5.6568 5.7825 5.8455 6.1651 6.3120 7.0842 7.1159 7.7586 7.8123 9.3647 9.5168 10.0885 10.1542 10.2303 10.3142 11.6135 11.6312 12.6423 12.6602 k = 0.3333 0.5774 0.0975 ( 3552 PWs) bands (ev): -45.2322 -45.2321 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7412 -5.4596 -5.4549 -5.4238 -5.4236 -4.6175 -4.6089 -4.5859 -4.5814 -4.5533 -4.5502 -2.8311 -2.7854 -2.7339 -2.7313 4.6210 4.7579 4.9421 5.0979 5.5731 5.6613 5.7964 5.8605 6.1342 6.2740 7.0511 7.0847 7.7971 7.8564 9.3689 9.5282 10.1186 10.1252 10.2009 10.3511 11.6132 11.6306 12.7055 12.7279 k = 0.3333 0.5774 0.1083 ( 3546 PWs) bands (ev): -45.2321 -45.2321 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4596 -5.4549 -5.4238 -5.4235 -4.6175 -4.6089 -4.5859 -4.5813 -4.5533 -4.5501 -2.8300 -2.7840 -2.7351 -2.7327 4.6188 4.7555 4.9516 5.1087 5.5773 5.6658 5.8102 5.8760 6.1051 6.2377 7.0182 7.0538 7.8341 7.8986 9.3732 9.5406 10.0824 10.1612 10.1726 10.3885 11.6129 11.6300 12.7669 12.7961 k = 0.3333 0.5774 0.1191 ( 3552 PWs) bands (ev): -45.2322 -45.2321 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4597 -5.4550 -5.4238 -5.4235 -4.6175 -4.6089 -4.5860 -4.5815 -4.5533 -4.5501 -2.8289 -2.7827 -2.7362 -2.7341 4.6167 4.7532 4.9610 5.1193 5.5813 5.6700 5.8231 5.8912 6.0790 6.2041 6.9866 7.0241 7.8686 7.9376 9.3776 9.5538 10.0470 10.1461 10.1955 10.4245 11.6125 11.6294 12.8200 12.8628 k = 0.3333 0.5774 0.1300 ( 3561 PWs) bands (ev): -45.2323 -45.2322 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7413 -5.4597 -5.4550 -5.4238 -5.4236 -4.6176 -4.6090 -4.5860 -4.5815 -4.5533 -4.5502 -2.8279 -2.7814 -2.7373 -2.7354 4.6149 4.7511 4.9697 5.1294 5.5849 5.6738 5.8344 5.9056 6.0566 6.1739 6.9573 6.9966 7.8996 7.9725 9.3817 9.5673 10.0136 10.1223 10.2267 10.4577 11.6122 11.6287 12.8500 12.9203 k = 0.3333 0.5774 0.1408 ( 3549 PWs) bands (ev): -45.2322 -45.2321 -22.8862 -22.8624 -20.8576 -20.8089 -20.7564 -20.7412 -5.4596 -5.4549 -5.4238 -5.4235 -4.6175 -4.6089 -4.5860 -4.5814 -4.5532 -4.5501 -2.8270 -2.7803 -2.7382 -2.7366 4.6132 4.7493 4.9776 5.1385 5.5881 5.6770 5.8434 5.9187 6.0387 6.1481 6.9315 6.9725 7.9263 8.0025 9.3854 9.5807 9.9833 10.1018 10.2540 10.4870 11.6119 11.6281 12.8455 12.8824 k = 0.3333 0.5774 0.1516 ( 3567 PWs) bands (ev): -45.2323 -45.2323 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7413 -5.4598 -5.4551 -5.4239 -5.4236 -4.6176 -4.6090 -4.5861 -4.5816 -4.5533 -4.5502 -2.8263 -2.7793 -2.7390 -2.7377 4.6119 4.7478 4.9842 5.1462 5.5907 5.6796 5.8498 5.9297 6.0257 6.1271 6.9102 6.9525 7.9478 8.0266 9.3886 9.5931 9.9573 10.0852 10.2762 10.5110 11.6117 11.6275 12.8262 12.8519 k = 0.3333 0.5774 0.1625 ( 3567 PWs) bands (ev): -45.2323 -45.2323 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7413 -5.4598 -5.4551 -5.4239 -5.4236 -4.6176 -4.6090 -4.5861 -4.5816 -4.5533 -4.5502 -2.8258 -2.7785 -2.7396 -2.7385 4.6110 4.7467 4.9892 5.1520 5.5926 5.6816 5.8537 5.9381 6.0173 6.1118 6.8941 6.9375 7.9636 8.0443 9.3910 9.6034 9.9371 10.0730 10.2928 10.5290 11.6115 11.6271 12.8079 12.8295 k = 0.3333 0.5774 0.1733 ( 3576 PWs) bands (ev): -45.2324 -45.2324 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7413 -5.4598 -5.4551 -5.4239 -5.4237 -4.6177 -4.6091 -4.5861 -4.5816 -4.5534 -4.5502 -2.8254 -2.7780 -2.7400 -2.7391 4.6104 4.7461 4.9923 5.1556 5.5938 5.6827 5.8556 5.9434 6.0127 6.1023 6.8842 6.9282 7.9733 8.0551 9.3925 9.6104 9.9241 10.0656 10.3029 10.5401 11.6114 11.6268 12.7957 12.8159 k = 0.3333 0.5774 0.1841 ( 3576 PWs) bands (ev): -45.2324 -45.2324 -22.8862 -22.8624 -20.8577 -20.8089 -20.7564 -20.7413 -5.4598 -5.4551 -5.4239 -5.4237 -4.6177 -4.6091 -4.5861 -4.5816 -4.5534 -4.5502 -2.8253 -2.7778 -2.7401 -2.7392 4.6102 4.7459 4.9934 5.1569 5.5942 5.6831 5.8561 5.9452 6.0113 6.0991 6.8809 6.9251 7.9765 8.0587 9.3930 9.6128 9.9196 10.0631 10.3063 10.5438 11.6114 11.6267 12.7916 12.8113 Writing output data file NbInSe2.save init_run : 3.27s CPU 13.65s WALL ( 1 calls) electrons : 390.59s CPU 396.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 390.57s CPU 395.78s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.89s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.47s WALL ( 1 calls) newd : 0.35s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 354 calls) cegterg : 353.74s CPU 356.38s WALL ( 560 calls) Called by sum_band: Called by *egterg: h_psi : 160.55s CPU 165.20s WALL ( 8384 calls) s_psi : 12.20s CPU 12.75s WALL ( 8384 calls) g_psi : 0.38s CPU 0.56s WALL ( 7470 calls) cdiaghg : 129.92s CPU 128.41s WALL ( 7824 calls) cegterg:over : 36.94s CPU 34.62s WALL ( 7470 calls) cegterg:upda : 6.12s CPU 8.42s WALL ( 7470 calls) cegterg:last : 5.63s CPU 6.28s WALL ( 1625 calls) Called by h_psi: h_psi:vloc : 134.65s CPU 138.79s WALL ( 8384 calls) h_psi:vnl : 25.77s CPU 25.92s WALL ( 8384 calls) add_vuspsi : 6.81s CPU 9.47s WALL ( 8384 calls) General routines calbec : 18.93s CPU 16.38s WALL ( 8384 calls) fft : 0.21s CPU 1.19s WALL ( 19 calls) ffts : 0.01s CPU 0.08s WALL ( 4 calls) fftw : 129.19s CPU 132.43s WALL ( 963424 calls) interpolate : 0.05s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 1.36s WALL ( 708 calls) Parallel routines fft_scatter : 83.84s CPU 85.71s WALL ( 963447 calls) PWSCF : 7m33.94s CPU 8m48.70s WALL This run was terminated on: 14:52: 8 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=