Program PWSCF v.5.1.1 starts on 8Oct2015 at 22:53: 2 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 16 11 3 982 597 93 Max 17 12 4 995 610 108 Sum 769 559 163 47407 28979 4753 bravais-lattice index = 14 lattice parameter (alat) = 6.5196 a.u. unit-cell volume = 644.8297 (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)= 6.519555 celldm(2)= 1.000000 celldm(3)= 2.686957 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 2.686957 ) 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 0.372168 ) 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 0.0054467 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0188679 0.0108934 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0283019 0.0163401 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0377359 0.0217868 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0471698 0.0272335 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0566038 0.0326802 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0660377 0.0381269 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0754717 0.0435736 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0849057 0.0490203 -0.0000000), wk = 0.0028571 k( 11) = ( 0.0943396 0.0544670 -0.0000000), wk = 0.0028571 k( 12) = ( 0.1037736 0.0599137 -0.0000000), wk = 0.0028571 k( 13) = ( 0.1132076 0.0653604 -0.0000000), wk = 0.0028571 k( 14) = ( 0.1226415 0.0708071 -0.0000000), wk = 0.0028571 k( 15) = ( 0.1320755 0.0762538 -0.0000000), wk = 0.0028571 k( 16) = ( 0.1415094 0.0817005 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1509434 0.0871472 -0.0000000), wk = 0.0028571 k( 18) = ( 0.1603774 0.0925939 -0.0000000), wk = 0.0028571 k( 19) = ( 0.1698113 0.0980406 -0.0000000), wk = 0.0028571 k( 20) = ( 0.1792453 0.1034873 -0.0000000), wk = 0.0028571 k( 21) = ( 0.1886792 0.1089340 -0.0000000), wk = 0.0028571 k( 22) = ( 0.1981132 0.1143807 -0.0000000), wk = 0.0028571 k( 23) = ( 0.2075472 0.1198274 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2169811 0.1252741 -0.0000000), wk = 0.0028571 k( 25) = ( 0.2264151 0.1307208 -0.0000000), wk = 0.0028571 k( 26) = ( 0.2358491 0.1361675 -0.0000000), wk = 0.0028571 k( 27) = ( 0.2452830 0.1416142 -0.0000000), wk = 0.0028571 k( 28) = ( 0.2547170 0.1470609 -0.0000000), wk = 0.0028571 k( 29) = ( 0.2641509 0.1525076 -0.0000000), wk = 0.0028571 k( 30) = ( 0.2735849 0.1579543 -0.0000000), wk = 0.0028571 k( 31) = ( 0.2830189 0.1634010 -0.0000000), wk = 0.0028571 k( 32) = ( 0.2924528 0.1688477 -0.0000000), wk = 0.0028571 k( 33) = ( 0.3018868 0.1742944 -0.0000000), wk = 0.0028571 k( 34) = ( 0.3113207 0.1797411 -0.0000000), wk = 0.0028571 k( 35) = ( 0.3207547 0.1851878 -0.0000000), wk = 0.0028571 k( 36) = ( 0.3301887 0.1906345 -0.0000000), wk = 0.0028571 k( 37) = ( 0.3396226 0.1960812 -0.0000000), wk = 0.0028571 k( 38) = ( 0.3490566 0.2015279 -0.0000000), wk = 0.0028571 k( 39) = ( 0.3584906 0.2069746 -0.0000000), wk = 0.0028571 k( 40) = ( 0.3679245 0.2124213 -0.0000000), wk = 0.0028571 k( 41) = ( 0.3773585 0.2178680 -0.0000000), wk = 0.0028571 k( 42) = ( 0.3867925 0.2233147 -0.0000000), wk = 0.0028571 k( 43) = ( 0.3962264 0.2287614 -0.0000000), wk = 0.0028571 k( 44) = ( 0.4056604 0.2342081 -0.0000000), wk = 0.0028571 k( 45) = ( 0.4150943 0.2396548 -0.0000000), wk = 0.0028571 k( 46) = ( 0.4245283 0.2451015 -0.0000000), wk = 0.0028571 k( 47) = ( 0.4339623 0.2505482 -0.0000000), wk = 0.0028571 k( 48) = ( 0.4433962 0.2559949 -0.0000000), wk = 0.0028571 k( 49) = ( 0.4528302 0.2614416 -0.0000000), wk = 0.0028571 k( 50) = ( 0.4622641 0.2668883 -0.0000000), wk = 0.0028571 k( 51) = ( 0.4716981 0.2723350 -0.0000000), wk = 0.0028571 k( 52) = ( 0.4811321 0.2777817 -0.0000000), wk = 0.0028571 k( 53) = ( 0.4905660 0.2832284 -0.0000000), wk = 0.0028571 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028571 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028571 k( 56) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0028571 k( 57) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0028571 k( 58) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0028571 k( 59) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0028571 k( 60) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0028571 k( 61) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0028571 k( 62) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0028571 k( 63) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0028571 k( 64) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0028571 k( 65) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0028571 k( 66) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0028571 k( 67) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0028571 k( 68) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0028571 k( 69) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0028571 k( 70) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0028571 k( 71) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0028571 k( 72) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0028571 k( 73) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0028571 k( 74) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0028571 k( 75) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0028571 k( 76) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0028571 k( 77) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0028571 k( 78) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0028571 k( 79) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0028571 k( 80) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0028571 k( 81) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0028571 k( 82) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0028571 k( 83) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0028571 k( 84) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0028571 k( 85) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0028571 k( 86) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028571 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028571 k( 88) = ( 0.3278688 0.5678855 -0.0000000), wk = 0.0028571 k( 89) = ( 0.3224044 0.5584207 -0.0000000), wk = 0.0028571 k( 90) = ( 0.3169399 0.5489560 -0.0000000), wk = 0.0028571 k( 91) = ( 0.3114754 0.5394912 -0.0000000), wk = 0.0028571 k( 92) = ( 0.3060109 0.5300265 -0.0000000), wk = 0.0028571 k( 93) = ( 0.3005465 0.5205617 -0.0000000), wk = 0.0028571 k( 94) = ( 0.2950820 0.5110970 -0.0000000), wk = 0.0028571 k( 95) = ( 0.2896175 0.5016322 -0.0000000), wk = 0.0028571 k( 96) = ( 0.2841530 0.4921675 -0.0000000), wk = 0.0028571 k( 97) = ( 0.2786885 0.4827027 -0.0000000), wk = 0.0028571 k( 98) = ( 0.2732240 0.4732379 -0.0000000), wk = 0.0028571 k( 99) = ( 0.2677596 0.4637732 -0.0000000), wk = 0.0028571 k( 100) = ( 0.2622951 0.4543084 -0.0000000), wk = 0.0028571 k( 101) = ( 0.2568306 0.4448436 -0.0000000), wk = 0.0028571 k( 102) = ( 0.2513661 0.4353789 -0.0000000), wk = 0.0028571 k( 103) = ( 0.2459016 0.4259141 -0.0000000), wk = 0.0028571 k( 104) = ( 0.2404372 0.4164494 -0.0000000), wk = 0.0028571 k( 105) = ( 0.2349727 0.4069846 -0.0000000), wk = 0.0028571 k( 106) = ( 0.2295082 0.3975199 -0.0000000), wk = 0.0028571 k( 107) = ( 0.2240437 0.3880551 -0.0000000), wk = 0.0028571 k( 108) = ( 0.2185792 0.3785903 -0.0000000), wk = 0.0028571 k( 109) = ( 0.2131147 0.3691256 -0.0000000), wk = 0.0028571 k( 110) = ( 0.2076503 0.3596608 -0.0000000), wk = 0.0028571 k( 111) = ( 0.2021858 0.3501961 -0.0000000), wk = 0.0028571 k( 112) = ( 0.1967213 0.3407313 -0.0000000), wk = 0.0028571 k( 113) = ( 0.1912568 0.3312665 -0.0000000), wk = 0.0028571 k( 114) = ( 0.1857923 0.3218018 -0.0000000), wk = 0.0028571 k( 115) = ( 0.1803279 0.3123370 -0.0000000), wk = 0.0028571 k( 116) = ( 0.1748634 0.3028723 -0.0000000), wk = 0.0028571 k( 117) = ( 0.1693989 0.2934075 -0.0000000), wk = 0.0028571 k( 118) = ( 0.1639344 0.2839428 -0.0000000), wk = 0.0028571 k( 119) = ( 0.1584699 0.2744780 -0.0000000), wk = 0.0028571 k( 120) = ( 0.1530055 0.2650132 -0.0000000), wk = 0.0028571 k( 121) = ( 0.1475410 0.2555485 -0.0000000), wk = 0.0028571 k( 122) = ( 0.1420765 0.2460837 -0.0000000), wk = 0.0028571 k( 123) = ( 0.1366120 0.2366190 -0.0000000), wk = 0.0028571 k( 124) = ( 0.1311475 0.2271542 -0.0000000), wk = 0.0028571 k( 125) = ( 0.1256831 0.2176894 -0.0000000), wk = 0.0028571 k( 126) = ( 0.1202186 0.2082247 -0.0000000), wk = 0.0028571 k( 127) = ( 0.1147541 0.1987599 -0.0000000), wk = 0.0028571 k( 128) = ( 0.1092896 0.1892952 -0.0000000), wk = 0.0028571 k( 129) = ( 0.1038251 0.1798304 -0.0000000), wk = 0.0028571 k( 130) = ( 0.0983607 0.1703657 -0.0000000), wk = 0.0028571 k( 131) = ( 0.0928962 0.1609009 -0.0000000), wk = 0.0028571 k( 132) = ( 0.0874317 0.1514361 -0.0000000), wk = 0.0028571 k( 133) = ( 0.0819672 0.1419714 -0.0000000), wk = 0.0028571 k( 134) = ( 0.0765027 0.1325066 -0.0000000), wk = 0.0028571 k( 135) = ( 0.0710382 0.1230419 -0.0000000), wk = 0.0028571 k( 136) = ( 0.0655738 0.1135771 -0.0000000), wk = 0.0028571 k( 137) = ( 0.0601093 0.1041123 -0.0000000), wk = 0.0028571 k( 138) = ( 0.0546448 0.0946476 -0.0000000), wk = 0.0028571 k( 139) = ( 0.0491803 0.0851828 -0.0000000), wk = 0.0028571 k( 140) = ( 0.0437159 0.0757181 -0.0000000), wk = 0.0028571 k( 141) = ( 0.0382514 0.0662533 -0.0000000), wk = 0.0028571 k( 142) = ( 0.0327869 0.0567886 -0.0000000), wk = 0.0028571 k( 143) = ( 0.0273224 0.0473238 -0.0000000), wk = 0.0028571 k( 144) = ( 0.0218579 0.0378590 -0.0000000), wk = 0.0028571 k( 145) = ( 0.0163934 0.0283943 -0.0000000), wk = 0.0028571 k( 146) = ( 0.0109290 0.0189295 -0.0000000), wk = 0.0028571 k( 147) = ( 0.0054645 0.0094648 -0.0000000), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 150) = ( 0.0000000 0.0000000 0.0109461), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.0218923), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.0328384), wk = 0.0028571 k( 153) = ( 0.0000000 0.0000000 0.0437845), wk = 0.0028571 k( 154) = ( 0.0000000 0.0000000 0.0547306), wk = 0.0028571 k( 155) = ( 0.0000000 0.0000000 0.0656768), wk = 0.0028571 k( 156) = ( 0.0000000 0.0000000 0.0766229), wk = 0.0028571 k( 157) = ( 0.0000000 0.0000000 0.0875690), wk = 0.0028571 k( 158) = ( 0.0000000 0.0000000 0.0985151), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.1094613), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.1204074), wk = 0.0028571 k( 161) = ( 0.0000000 0.0000000 0.1313535), wk = 0.0028571 k( 162) = ( 0.0000000 0.0000000 0.1422996), wk = 0.0028571 k( 163) = ( 0.0000000 0.0000000 0.1532458), wk = 0.0028571 k( 164) = ( 0.0000000 0.0000000 0.1641919), wk = 0.0028571 k( 165) = ( 0.0000000 0.0000000 0.1751380), wk = 0.0028571 k( 166) = ( 0.0000000 0.0000000 0.1860841), wk = 0.0028571 k( 167) = ( 0.0000000 0.0000000 0.1860841), wk = 0.0028571 k( 168) = ( 0.0094340 0.0054467 0.1860841), wk = 0.0028571 k( 169) = ( 0.0188679 0.0108934 0.1860841), wk = 0.0028571 k( 170) = ( 0.0283019 0.0163401 0.1860841), wk = 0.0028571 k( 171) = ( 0.0377359 0.0217868 0.1860841), wk = 0.0028571 k( 172) = ( 0.0471698 0.0272335 0.1860841), wk = 0.0028571 k( 173) = ( 0.0566038 0.0326802 0.1860841), wk = 0.0028571 k( 174) = ( 0.0660377 0.0381269 0.1860841), wk = 0.0028571 k( 175) = ( 0.0754717 0.0435736 0.1860841), wk = 0.0028571 k( 176) = ( 0.0849057 0.0490203 0.1860841), wk = 0.0028571 k( 177) = ( 0.0943396 0.0544670 0.1860841), wk = 0.0028571 k( 178) = ( 0.1037736 0.0599137 0.1860841), wk = 0.0028571 k( 179) = ( 0.1132076 0.0653604 0.1860841), wk = 0.0028571 k( 180) = ( 0.1226415 0.0708071 0.1860841), wk = 0.0028571 k( 181) = ( 0.1320755 0.0762538 0.1860841), wk = 0.0028571 k( 182) = ( 0.1415094 0.0817005 0.1860841), wk = 0.0028571 k( 183) = ( 0.1509434 0.0871472 0.1860841), wk = 0.0028571 k( 184) = ( 0.1603774 0.0925939 0.1860841), wk = 0.0028571 k( 185) = ( 0.1698113 0.0980406 0.1860841), wk = 0.0028571 k( 186) = ( 0.1792453 0.1034873 0.1860841), wk = 0.0028571 k( 187) = ( 0.1886792 0.1089340 0.1860841), wk = 0.0028571 k( 188) = ( 0.1981132 0.1143807 0.1860841), wk = 0.0028571 k( 189) = ( 0.2075472 0.1198274 0.1860841), wk = 0.0028571 k( 190) = ( 0.2169811 0.1252741 0.1860841), wk = 0.0028571 k( 191) = ( 0.2264151 0.1307208 0.1860841), wk = 0.0028571 k( 192) = ( 0.2358491 0.1361675 0.1860841), wk = 0.0028571 k( 193) = ( 0.2452830 0.1416142 0.1860841), wk = 0.0028571 k( 194) = ( 0.2547170 0.1470609 0.1860841), wk = 0.0028571 k( 195) = ( 0.2641509 0.1525076 0.1860841), wk = 0.0028571 k( 196) = ( 0.2735849 0.1579543 0.1860841), wk = 0.0028571 k( 197) = ( 0.2830189 0.1634010 0.1860841), wk = 0.0028571 k( 198) = ( 0.2924528 0.1688477 0.1860841), wk = 0.0028571 k( 199) = ( 0.3018868 0.1742944 0.1860841), wk = 0.0028571 k( 200) = ( 0.3113207 0.1797411 0.1860841), wk = 0.0028571 k( 201) = ( 0.3207547 0.1851878 0.1860841), wk = 0.0028571 k( 202) = ( 0.3301887 0.1906345 0.1860841), wk = 0.0028571 k( 203) = ( 0.3396226 0.1960812 0.1860841), wk = 0.0028571 k( 204) = ( 0.3490566 0.2015279 0.1860841), wk = 0.0028571 k( 205) = ( 0.3584906 0.2069746 0.1860841), wk = 0.0028571 k( 206) = ( 0.3679245 0.2124213 0.1860841), wk = 0.0028571 k( 207) = ( 0.3773585 0.2178680 0.1860841), wk = 0.0028571 k( 208) = ( 0.3867925 0.2233147 0.1860841), wk = 0.0028571 k( 209) = ( 0.3962264 0.2287614 0.1860841), wk = 0.0028571 k( 210) = ( 0.4056604 0.2342081 0.1860841), wk = 0.0028571 k( 211) = ( 0.4150943 0.2396548 0.1860841), wk = 0.0028571 k( 212) = ( 0.4245283 0.2451015 0.1860841), wk = 0.0028571 k( 213) = ( 0.4339623 0.2505482 0.1860841), wk = 0.0028571 k( 214) = ( 0.4433962 0.2559949 0.1860841), wk = 0.0028571 k( 215) = ( 0.4528302 0.2614416 0.1860841), wk = 0.0028571 k( 216) = ( 0.4622641 0.2668883 0.1860841), wk = 0.0028571 k( 217) = ( 0.4716981 0.2723350 0.1860841), wk = 0.0028571 k( 218) = ( 0.4811321 0.2777817 0.1860841), wk = 0.0028571 k( 219) = ( 0.4905660 0.2832284 0.1860841), wk = 0.0028571 k( 220) = ( 0.5000000 0.2886751 0.1860841), wk = 0.0028571 k( 221) = ( 0.5000000 0.2886751 0.1860841), wk = 0.0028571 k( 222) = ( 0.4946237 0.2979872 0.1860841), wk = 0.0028571 k( 223) = ( 0.4892473 0.3072993 0.1860841), wk = 0.0028571 k( 224) = ( 0.4838710 0.3166114 0.1860841), wk = 0.0028571 k( 225) = ( 0.4784946 0.3259235 0.1860841), wk = 0.0028571 k( 226) = ( 0.4731183 0.3352356 0.1860841), wk = 0.0028571 k( 227) = ( 0.4677419 0.3445477 0.1860841), wk = 0.0028571 k( 228) = ( 0.4623656 0.3538598 0.1860841), wk = 0.0028571 k( 229) = ( 0.4569893 0.3631720 0.1860841), wk = 0.0028571 k( 230) = ( 0.4516129 0.3724840 0.1860841), wk = 0.0028571 k( 231) = ( 0.4462366 0.3817961 0.1860841), wk = 0.0028571 k( 232) = ( 0.4408602 0.3911082 0.1860841), wk = 0.0028571 k( 233) = ( 0.4354839 0.4004203 0.1860841), wk = 0.0028571 k( 234) = ( 0.4301075 0.4097325 0.1860841), wk = 0.0028571 k( 235) = ( 0.4247312 0.4190445 0.1860841), wk = 0.0028571 k( 236) = ( 0.4193548 0.4283566 0.1860841), wk = 0.0028571 k( 237) = ( 0.4139785 0.4376687 0.1860841), wk = 0.0028571 k( 238) = ( 0.4086021 0.4469809 0.1860841), wk = 0.0028571 k( 239) = ( 0.4032258 0.4562930 0.1860841), wk = 0.0028571 k( 240) = ( 0.3978495 0.4656051 0.1860841), wk = 0.0028571 k( 241) = ( 0.3924731 0.4749172 0.1860841), wk = 0.0028571 k( 242) = ( 0.3870968 0.4842293 0.1860841), wk = 0.0028571 k( 243) = ( 0.3817204 0.4935414 0.1860841), wk = 0.0028571 k( 244) = ( 0.3763441 0.5028535 0.1860841), wk = 0.0028571 k( 245) = ( 0.3709677 0.5121656 0.1860841), wk = 0.0028571 k( 246) = ( 0.3655914 0.5214777 0.1860841), wk = 0.0028571 k( 247) = ( 0.3602150 0.5307898 0.1860841), wk = 0.0028571 k( 248) = ( 0.3548387 0.5401019 0.1860841), wk = 0.0028571 k( 249) = ( 0.3494624 0.5494140 0.1860841), wk = 0.0028571 k( 250) = ( 0.3440860 0.5587261 0.1860841), wk = 0.0028571 k( 251) = ( 0.3387097 0.5680382 0.1860841), wk = 0.0028571 k( 252) = ( 0.3333333 0.5773503 0.1860841), wk = 0.0028571 k( 253) = ( 0.3333333 0.5773503 0.1860841), wk = 0.0028571 k( 254) = ( 0.3278688 0.5678855 0.1860841), wk = 0.0028571 k( 255) = ( 0.3224044 0.5584207 0.1860841), wk = 0.0028571 k( 256) = ( 0.3169399 0.5489560 0.1860841), wk = 0.0028571 k( 257) = ( 0.3114754 0.5394912 0.1860841), wk = 0.0028571 k( 258) = ( 0.3060109 0.5300265 0.1860841), wk = 0.0028571 k( 259) = ( 0.3005465 0.5205617 0.1860841), wk = 0.0028571 k( 260) = ( 0.2950820 0.5110970 0.1860841), wk = 0.0028571 k( 261) = ( 0.2896175 0.5016322 0.1860841), wk = 0.0028571 k( 262) = ( 0.2841530 0.4921675 0.1860841), wk = 0.0028571 k( 263) = ( 0.2786885 0.4827027 0.1860841), wk = 0.0028571 k( 264) = ( 0.2732240 0.4732379 0.1860841), wk = 0.0028571 k( 265) = ( 0.2677596 0.4637732 0.1860841), wk = 0.0028571 k( 266) = ( 0.2622951 0.4543084 0.1860841), wk = 0.0028571 k( 267) = ( 0.2568306 0.4448436 0.1860841), wk = 0.0028571 k( 268) = ( 0.2513661 0.4353789 0.1860841), wk = 0.0028571 k( 269) = ( 0.2459016 0.4259141 0.1860841), wk = 0.0028571 k( 270) = ( 0.2404372 0.4164494 0.1860841), wk = 0.0028571 k( 271) = ( 0.2349727 0.4069846 0.1860841), wk = 0.0028571 k( 272) = ( 0.2295082 0.3975199 0.1860841), wk = 0.0028571 k( 273) = ( 0.2240437 0.3880551 0.1860841), wk = 0.0028571 k( 274) = ( 0.2185792 0.3785903 0.1860841), wk = 0.0028571 k( 275) = ( 0.2131147 0.3691256 0.1860841), wk = 0.0028571 k( 276) = ( 0.2076503 0.3596608 0.1860841), wk = 0.0028571 k( 277) = ( 0.2021858 0.3501961 0.1860841), wk = 0.0028571 k( 278) = ( 0.1967213 0.3407313 0.1860841), wk = 0.0028571 k( 279) = ( 0.1912568 0.3312665 0.1860841), wk = 0.0028571 k( 280) = ( 0.1857923 0.3218018 0.1860841), wk = 0.0028571 k( 281) = ( 0.1803279 0.3123370 0.1860841), wk = 0.0028571 k( 282) = ( 0.1748634 0.3028723 0.1860841), wk = 0.0028571 k( 283) = ( 0.1693989 0.2934075 0.1860841), wk = 0.0028571 k( 284) = ( 0.1639344 0.2839428 0.1860841), wk = 0.0028571 k( 285) = ( 0.1584699 0.2744780 0.1860841), wk = 0.0028571 k( 286) = ( 0.1530055 0.2650132 0.1860841), wk = 0.0028571 k( 287) = ( 0.1475410 0.2555485 0.1860841), wk = 0.0028571 k( 288) = ( 0.1420765 0.2460837 0.1860841), wk = 0.0028571 k( 289) = ( 0.1366120 0.2366190 0.1860841), wk = 0.0028571 k( 290) = ( 0.1311475 0.2271542 0.1860841), wk = 0.0028571 k( 291) = ( 0.1256831 0.2176894 0.1860841), wk = 0.0028571 k( 292) = ( 0.1202186 0.2082247 0.1860841), wk = 0.0028571 k( 293) = ( 0.1147541 0.1987599 0.1860841), wk = 0.0028571 k( 294) = ( 0.1092896 0.1892952 0.1860841), wk = 0.0028571 k( 295) = ( 0.1038251 0.1798304 0.1860841), wk = 0.0028571 k( 296) = ( 0.0983607 0.1703657 0.1860841), wk = 0.0028571 k( 297) = ( 0.0928962 0.1609009 0.1860841), wk = 0.0028571 k( 298) = ( 0.0874317 0.1514361 0.1860841), wk = 0.0028571 k( 299) = ( 0.0819672 0.1419714 0.1860841), wk = 0.0028571 k( 300) = ( 0.0765027 0.1325066 0.1860841), wk = 0.0028571 k( 301) = ( 0.0710382 0.1230419 0.1860841), wk = 0.0028571 k( 302) = ( 0.0655738 0.1135771 0.1860841), wk = 0.0028571 k( 303) = ( 0.0601093 0.1041123 0.1860841), wk = 0.0028571 k( 304) = ( 0.0546448 0.0946476 0.1860841), wk = 0.0028571 k( 305) = ( 0.0491803 0.0851828 0.1860841), wk = 0.0028571 k( 306) = ( 0.0437159 0.0757181 0.1860841), wk = 0.0028571 k( 307) = ( 0.0382514 0.0662533 0.1860841), wk = 0.0028571 k( 308) = ( 0.0327869 0.0567886 0.1860841), wk = 0.0028571 k( 309) = ( 0.0273224 0.0473238 0.1860841), wk = 0.0028571 k( 310) = ( 0.0218579 0.0378590 0.1860841), wk = 0.0028571 k( 311) = ( 0.0163934 0.0283943 0.1860841), wk = 0.0028571 k( 312) = ( 0.0109290 0.0189295 0.1860841), wk = 0.0028571 k( 313) = ( 0.0054645 0.0094648 0.1860841), wk = 0.0028571 k( 314) = ( 0.0000000 0.0000000 0.1860841), wk = 0.0028571 k( 315) = ( 0.5000000 0.2886751 0.1860841), wk = 0.0028571 k( 316) = ( 0.5000000 0.2886751 0.1751380), wk = 0.0028571 k( 317) = ( 0.5000000 0.2886751 0.1641919), wk = 0.0028571 k( 318) = ( 0.5000000 0.2886751 0.1532458), wk = 0.0028571 k( 319) = ( 0.5000000 0.2886751 0.1422996), wk = 0.0028571 k( 320) = ( 0.5000000 0.2886751 0.1313535), wk = 0.0028571 k( 321) = ( 0.5000000 0.2886751 0.1204074), wk = 0.0028571 k( 322) = ( 0.5000000 0.2886751 0.1094613), wk = 0.0028571 k( 323) = ( 0.5000000 0.2886751 0.0985151), wk = 0.0028571 k( 324) = ( 0.5000000 0.2886751 0.0875690), wk = 0.0028571 k( 325) = ( 0.5000000 0.2886751 0.0766229), wk = 0.0028571 k( 326) = ( 0.5000000 0.2886751 0.0656768), wk = 0.0028571 k( 327) = ( 0.5000000 0.2886751 0.0547306), wk = 0.0028571 k( 328) = ( 0.5000000 0.2886751 0.0437845), wk = 0.0028571 k( 329) = ( 0.5000000 0.2886751 0.0328384), wk = 0.0028571 k( 330) = ( 0.5000000 0.2886751 0.0218923), wk = 0.0028571 k( 331) = ( 0.5000000 0.2886751 0.0109461), wk = 0.0028571 k( 332) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028571 k( 333) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028571 k( 334) = ( 0.3333333 0.5773503 0.0109461), wk = 0.0028571 k( 335) = ( 0.3333333 0.5773503 0.0218923), wk = 0.0028571 k( 336) = ( 0.3333333 0.5773503 0.0328384), wk = 0.0028571 k( 337) = ( 0.3333333 0.5773503 0.0437845), wk = 0.0028571 k( 338) = ( 0.3333333 0.5773503 0.0547306), wk = 0.0028571 k( 339) = ( 0.3333333 0.5773503 0.0656768), wk = 0.0028571 k( 340) = ( 0.3333333 0.5773503 0.0766229), wk = 0.0028571 k( 341) = ( 0.3333333 0.5773503 0.0875690), wk = 0.0028571 k( 342) = ( 0.3333333 0.5773503 0.0985151), wk = 0.0028571 k( 343) = ( 0.3333333 0.5773503 0.1094613), wk = 0.0028571 k( 344) = ( 0.3333333 0.5773503 0.1204074), wk = 0.0028571 k( 345) = ( 0.3333333 0.5773503 0.1313535), wk = 0.0028571 k( 346) = ( 0.3333333 0.5773503 0.1422996), wk = 0.0028571 k( 347) = ( 0.3333333 0.5773503 0.1532458), wk = 0.0028571 k( 348) = ( 0.3333333 0.5773503 0.1641919), wk = 0.0028571 k( 349) = ( 0.3333333 0.5773503 0.1751380), wk = 0.0028571 k( 350) = ( 0.3333333 0.5773503 0.1860841), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 0.0000000 0.0000000), wk = 0.0028571 k( 3) = ( 0.0188679 0.0000000 0.0000000), wk = 0.0028571 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0028571 k( 5) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0028571 k( 6) = ( 0.0471698 0.0000000 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0566038 0.0000000 0.0000000), wk = 0.0028571 k( 8) = ( 0.0660377 0.0000000 0.0000000), wk = 0.0028571 k( 9) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0028571 k( 10) = ( 0.0849057 0.0000000 -0.0000000), wk = 0.0028571 k( 11) = ( 0.0943396 0.0000000 -0.0000000), wk = 0.0028571 k( 12) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0028571 k( 13) = ( 0.1132076 0.0000000 0.0000000), wk = 0.0028571 k( 14) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0028571 k( 15) = ( 0.1320755 0.0000000 0.0000000), wk = 0.0028571 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0028571 k( 18) = ( 0.1603774 0.0000000 -0.0000000), wk = 0.0028571 k( 19) = ( 0.1698113 0.0000000 -0.0000000), wk = 0.0028571 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0028571 k( 21) = ( 0.1886792 0.0000000 -0.0000000), wk = 0.0028571 k( 22) = ( 0.1981132 0.0000000 0.0000000), wk = 0.0028571 k( 23) = ( 0.2075472 0.0000000 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2169811 0.0000000 -0.0000000), wk = 0.0028571 k( 25) = ( 0.2264151 0.0000000 -0.0000000), wk = 0.0028571 k( 26) = ( 0.2358491 0.0000000 0.0000000), wk = 0.0028571 k( 27) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0028571 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0028571 k( 29) = ( 0.2641509 0.0000000 0.0000000), wk = 0.0028571 k( 30) = ( 0.2735849 0.0000000 -0.0000000), wk = 0.0028571 k( 31) = ( 0.2830189 0.0000000 0.0000000), wk = 0.0028571 k( 32) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0028571 k( 33) = ( 0.3018868 0.0000000 -0.0000000), wk = 0.0028571 k( 34) = ( 0.3113207 0.0000000 0.0000000), wk = 0.0028571 k( 35) = ( 0.3207547 0.0000000 -0.0000000), wk = 0.0028571 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0028571 k( 37) = ( 0.3396226 0.0000000 -0.0000000), wk = 0.0028571 k( 38) = ( 0.3490566 0.0000000 -0.0000000), wk = 0.0028571 k( 39) = ( 0.3584906 -0.0000000 -0.0000000), wk = 0.0028571 k( 40) = ( 0.3679245 0.0000000 0.0000000), wk = 0.0028571 k( 41) = ( 0.3773585 0.0000000 -0.0000000), wk = 0.0028571 k( 42) = ( 0.3867925 0.0000000 -0.0000000), wk = 0.0028571 k( 43) = ( 0.3962264 0.0000000 0.0000000), wk = 0.0028571 k( 44) = ( 0.4056604 0.0000000 -0.0000000), wk = 0.0028571 k( 45) = ( 0.4150943 0.0000000 -0.0000000), wk = 0.0028571 k( 46) = ( 0.4245283 0.0000000 -0.0000000), wk = 0.0028571 k( 47) = ( 0.4339623 0.0000000 -0.0000000), wk = 0.0028571 k( 48) = ( 0.4433962 0.0000000 0.0000000), wk = 0.0028571 k( 49) = ( 0.4528302 0.0000000 -0.0000000), wk = 0.0028571 k( 50) = ( 0.4622641 0.0000000 0.0000000), wk = 0.0028571 k( 51) = ( 0.4716981 0.0000000 -0.0000000), wk = 0.0028571 k( 52) = ( 0.4811321 0.0000000 0.0000000), wk = 0.0028571 k( 53) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0028571 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028571 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028571 k( 56) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0028571 k( 57) = ( 0.4892473 0.0215054 -0.0000000), wk = 0.0028571 k( 58) = ( 0.4838710 0.0322581 -0.0000000), wk = 0.0028571 k( 59) = ( 0.4784946 0.0430108 -0.0000000), wk = 0.0028571 k( 60) = ( 0.4731183 0.0537634 0.0000000), wk = 0.0028571 k( 61) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0028571 k( 62) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0028571 k( 63) = ( 0.4569893 0.0860215 -0.0000000), wk = 0.0028571 k( 64) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0028571 k( 65) = ( 0.4462366 0.1075269 0.0000000), wk = 0.0028571 k( 66) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0028571 k( 67) = ( 0.4354839 0.1290323 -0.0000000), wk = 0.0028571 k( 68) = ( 0.4301075 0.1397850 0.0000000), wk = 0.0028571 k( 69) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0028571 k( 70) = ( 0.4193548 0.1612903 0.0000000), wk = 0.0028571 k( 71) = ( 0.4139785 0.1720430 0.0000000), wk = 0.0028571 k( 72) = ( 0.4086021 0.1827957 -0.0000000), wk = 0.0028571 k( 73) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0028571 k( 74) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0028571 k( 75) = ( 0.3924731 0.2150538 -0.0000000), wk = 0.0028571 k( 76) = ( 0.3870968 0.2258064 0.0000000), wk = 0.0028571 k( 77) = ( 0.3817204 0.2365591 0.0000000), wk = 0.0028571 k( 78) = ( 0.3763441 0.2473118 -0.0000000), wk = 0.0028571 k( 79) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0028571 k( 80) = ( 0.3655914 0.2688172 0.0000000), wk = 0.0028571 k( 81) = ( 0.3602150 0.2795699 0.0000000), wk = 0.0028571 k( 82) = ( 0.3548387 0.2903226 -0.0000000), wk = 0.0028571 k( 83) = ( 0.3494624 0.3010753 0.0000000), wk = 0.0028571 k( 84) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0028571 k( 85) = ( 0.3387097 0.3225807 0.0000000), wk = 0.0028571 k( 86) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028571 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028571 k( 88) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0028571 k( 89) = ( 0.3224044 0.3224044 0.0000000), wk = 0.0028571 k( 90) = ( 0.3169399 0.3169399 0.0000000), wk = 0.0028571 k( 91) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0028571 k( 92) = ( 0.3060109 0.3060109 0.0000000), wk = 0.0028571 k( 93) = ( 0.3005465 0.3005465 0.0000000), wk = 0.0028571 k( 94) = ( 0.2950820 0.2950820 0.0000000), wk = 0.0028571 k( 95) = ( 0.2896175 0.2896175 0.0000000), wk = 0.0028571 k( 96) = ( 0.2841530 0.2841530 0.0000000), wk = 0.0028571 k( 97) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0028571 k( 98) = ( 0.2732240 0.2732240 0.0000000), wk = 0.0028571 k( 99) = ( 0.2677596 0.2677596 0.0000000), wk = 0.0028571 k( 100) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0028571 k( 101) = ( 0.2568306 0.2568306 0.0000000), wk = 0.0028571 k( 102) = ( 0.2513661 0.2513661 0.0000000), wk = 0.0028571 k( 103) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0028571 k( 104) = ( 0.2404372 0.2404372 0.0000000), wk = 0.0028571 k( 105) = ( 0.2349727 0.2349727 0.0000000), wk = 0.0028571 k( 106) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0028571 k( 107) = ( 0.2240437 0.2240437 0.0000000), wk = 0.0028571 k( 108) = ( 0.2185792 0.2185792 0.0000000), wk = 0.0028571 k( 109) = ( 0.2131147 0.2131148 0.0000000), wk = 0.0028571 k( 110) = ( 0.2076503 0.2076503 0.0000000), wk = 0.0028571 k( 111) = ( 0.2021858 0.2021858 0.0000000), wk = 0.0028571 k( 112) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0028571 k( 113) = ( 0.1912568 0.1912568 0.0000000), wk = 0.0028571 k( 114) = ( 0.1857923 0.1857923 -0.0000000), wk = 0.0028571 k( 115) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0028571 k( 116) = ( 0.1748634 0.1748634 0.0000000), wk = 0.0028571 k( 117) = ( 0.1693989 0.1693989 -0.0000000), wk = 0.0028571 k( 118) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0028571 k( 119) = ( 0.1584699 0.1584699 -0.0000000), wk = 0.0028571 k( 120) = ( 0.1530055 0.1530055 0.0000000), wk = 0.0028571 k( 121) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0028571 k( 122) = ( 0.1420765 0.1420765 0.0000000), wk = 0.0028571 k( 123) = ( 0.1366120 0.1366120 0.0000000), wk = 0.0028571 k( 124) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0028571 k( 125) = ( 0.1256831 0.1256831 0.0000000), wk = 0.0028571 k( 126) = ( 0.1202186 0.1202186 0.0000000), wk = 0.0028571 k( 127) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0028571 k( 128) = ( 0.1092896 0.1092896 0.0000000), wk = 0.0028571 k( 129) = ( 0.1038251 0.1038251 0.0000000), wk = 0.0028571 k( 130) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0028571 k( 131) = ( 0.0928962 0.0928962 0.0000000), wk = 0.0028571 k( 132) = ( 0.0874317 0.0874317 0.0000000), wk = 0.0028571 k( 133) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0028571 k( 134) = ( 0.0765027 0.0765027 0.0000000), wk = 0.0028571 k( 135) = ( 0.0710382 0.0710383 0.0000000), wk = 0.0028571 k( 136) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0028571 k( 137) = ( 0.0601093 0.0601093 0.0000000), wk = 0.0028571 k( 138) = ( 0.0546448 0.0546448 0.0000000), wk = 0.0028571 k( 139) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0028571 k( 140) = ( 0.0437159 0.0437159 -0.0000000), wk = 0.0028571 k( 141) = ( 0.0382514 0.0382514 0.0000000), wk = 0.0028571 k( 142) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0028571 k( 143) = ( 0.0273224 0.0273224 0.0000000), wk = 0.0028571 k( 144) = ( 0.0218579 0.0218579 0.0000000), wk = 0.0028571 k( 145) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0028571 k( 146) = ( 0.0109290 0.0109290 0.0000000), wk = 0.0028571 k( 147) = ( 0.0054645 0.0054645 0.0000000), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 150) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0028571 k( 153) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0028571 k( 154) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0028571 k( 155) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0028571 k( 156) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0028571 k( 157) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0028571 k( 158) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.2941176), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0028571 k( 161) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0028571 k( 162) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0028571 k( 163) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0028571 k( 164) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0028571 k( 165) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0028571 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 168) = ( 0.0094340 0.0000000 0.5000000), wk = 0.0028571 k( 169) = ( 0.0188679 0.0000000 0.5000000), wk = 0.0028571 k( 170) = ( 0.0283019 0.0000000 0.5000000), wk = 0.0028571 k( 171) = ( 0.0377359 0.0000000 0.5000000), wk = 0.0028571 k( 172) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0028571 k( 173) = ( 0.0566038 0.0000000 0.5000000), wk = 0.0028571 k( 174) = ( 0.0660377 0.0000000 0.5000000), wk = 0.0028571 k( 175) = ( 0.0754717 0.0000000 0.5000000), wk = 0.0028571 k( 176) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0028571 k( 177) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0028571 k( 178) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0028571 k( 179) = ( 0.1132076 0.0000000 0.5000000), wk = 0.0028571 k( 180) = ( 0.1226415 0.0000000 0.5000000), wk = 0.0028571 k( 181) = ( 0.1320755 0.0000000 0.5000000), wk = 0.0028571 k( 182) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0028571 k( 183) = ( 0.1509434 0.0000000 0.5000000), wk = 0.0028571 k( 184) = ( 0.1603774 0.0000000 0.5000000), wk = 0.0028571 k( 185) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0028571 k( 186) = ( 0.1792453 0.0000000 0.5000000), wk = 0.0028571 k( 187) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0028571 k( 188) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0028571 k( 189) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0028571 k( 190) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0028571 k( 191) = ( 0.2264151 0.0000000 0.5000000), wk = 0.0028571 k( 192) = ( 0.2358491 0.0000000 0.5000000), wk = 0.0028571 k( 193) = ( 0.2452830 0.0000000 0.5000000), wk = 0.0028571 k( 194) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0028571 k( 195) = ( 0.2641509 0.0000000 0.5000000), wk = 0.0028571 k( 196) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0028571 k( 197) = ( 0.2830189 0.0000000 0.5000000), wk = 0.0028571 k( 198) = ( 0.2924528 0.0000000 0.5000000), wk = 0.0028571 k( 199) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0028571 k( 200) = ( 0.3113207 0.0000000 0.5000000), wk = 0.0028571 k( 201) = ( 0.3207547 0.0000000 0.5000000), wk = 0.0028571 k( 202) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0028571 k( 203) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0028571 k( 204) = ( 0.3490566 0.0000000 0.5000000), wk = 0.0028571 k( 205) = ( 0.3584906 -0.0000000 0.5000000), wk = 0.0028571 k( 206) = ( 0.3679245 0.0000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.3773585 0.0000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0028571 k( 209) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0028571 k( 210) = ( 0.4056604 0.0000000 0.5000000), wk = 0.0028571 k( 211) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0028571 k( 212) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0028571 k( 213) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0028571 k( 214) = ( 0.4433962 0.0000000 0.5000000), wk = 0.0028571 k( 215) = ( 0.4528302 0.0000000 0.5000000), wk = 0.0028571 k( 216) = ( 0.4622641 0.0000000 0.5000000), wk = 0.0028571 k( 217) = ( 0.4716981 0.0000000 0.5000000), wk = 0.0028571 k( 218) = ( 0.4811321 0.0000000 0.5000000), wk = 0.0028571 k( 219) = ( 0.4905660 0.0000000 0.5000000), wk = 0.0028571 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 222) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0028571 k( 223) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0028571 k( 224) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0028571 k( 225) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0028571 k( 226) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0028571 k( 227) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0028571 k( 228) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0028571 k( 229) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0028571 k( 230) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0028571 k( 231) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0028571 k( 232) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0028571 k( 233) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0028571 k( 234) = ( 0.4301075 0.1397850 0.5000000), wk = 0.0028571 k( 235) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0028571 k( 236) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0028571 k( 237) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0028571 k( 238) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0028571 k( 239) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0028571 k( 240) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0028571 k( 241) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0028571 k( 242) = ( 0.3870968 0.2258064 0.5000000), wk = 0.0028571 k( 243) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0028571 k( 244) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0028571 k( 245) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0028571 k( 246) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0028571 k( 247) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0028571 k( 248) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0028571 k( 249) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0028571 k( 250) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0028571 k( 251) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0028571 k( 252) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028571 k( 253) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028571 k( 254) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0028571 k( 255) = ( 0.3224044 0.3224044 0.5000000), wk = 0.0028571 k( 256) = ( 0.3169399 0.3169399 0.5000000), wk = 0.0028571 k( 257) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0028571 k( 258) = ( 0.3060109 0.3060109 0.5000000), wk = 0.0028571 k( 259) = ( 0.3005465 0.3005465 0.5000000), wk = 0.0028571 k( 260) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0028571 k( 261) = ( 0.2896175 0.2896175 0.5000000), wk = 0.0028571 k( 262) = ( 0.2841530 0.2841530 0.5000000), wk = 0.0028571 k( 263) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0028571 k( 264) = ( 0.2732240 0.2732240 0.5000000), wk = 0.0028571 k( 265) = ( 0.2677596 0.2677596 0.5000000), wk = 0.0028571 k( 266) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0028571 k( 267) = ( 0.2568306 0.2568306 0.5000000), wk = 0.0028571 k( 268) = ( 0.2513661 0.2513661 0.5000000), wk = 0.0028571 k( 269) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0028571 k( 270) = ( 0.2404372 0.2404372 0.5000000), wk = 0.0028571 k( 271) = ( 0.2349727 0.2349727 0.5000000), wk = 0.0028571 k( 272) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0028571 k( 273) = ( 0.2240437 0.2240437 0.5000000), wk = 0.0028571 k( 274) = ( 0.2185792 0.2185792 0.5000000), wk = 0.0028571 k( 275) = ( 0.2131147 0.2131148 0.5000000), wk = 0.0028571 k( 276) = ( 0.2076503 0.2076503 0.5000000), wk = 0.0028571 k( 277) = ( 0.2021858 0.2021858 0.5000000), wk = 0.0028571 k( 278) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0028571 k( 279) = ( 0.1912568 0.1912568 0.5000000), wk = 0.0028571 k( 280) = ( 0.1857923 0.1857923 0.5000000), wk = 0.0028571 k( 281) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0028571 k( 282) = ( 0.1748634 0.1748634 0.5000000), wk = 0.0028571 k( 283) = ( 0.1693989 0.1693989 0.5000000), wk = 0.0028571 k( 284) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0028571 k( 285) = ( 0.1584699 0.1584699 0.5000000), wk = 0.0028571 k( 286) = ( 0.1530055 0.1530055 0.5000000), wk = 0.0028571 k( 287) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0028571 k( 288) = ( 0.1420765 0.1420765 0.5000000), wk = 0.0028571 k( 289) = ( 0.1366120 0.1366120 0.5000000), wk = 0.0028571 k( 290) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0028571 k( 291) = ( 0.1256831 0.1256831 0.5000000), wk = 0.0028571 k( 292) = ( 0.1202186 0.1202186 0.5000000), wk = 0.0028571 k( 293) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0028571 k( 294) = ( 0.1092896 0.1092896 0.5000000), wk = 0.0028571 k( 295) = ( 0.1038251 0.1038251 0.5000000), wk = 0.0028571 k( 296) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0028571 k( 297) = ( 0.0928962 0.0928962 0.5000000), wk = 0.0028571 k( 298) = ( 0.0874317 0.0874317 0.5000000), wk = 0.0028571 k( 299) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0028571 k( 300) = ( 0.0765027 0.0765027 0.5000000), wk = 0.0028571 k( 301) = ( 0.0710382 0.0710383 0.5000000), wk = 0.0028571 k( 302) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0028571 k( 303) = ( 0.0601093 0.0601093 0.5000000), wk = 0.0028571 k( 304) = ( 0.0546448 0.0546448 0.5000000), wk = 0.0028571 k( 305) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0028571 k( 306) = ( 0.0437159 0.0437159 0.5000000), wk = 0.0028571 k( 307) = ( 0.0382514 0.0382514 0.5000000), wk = 0.0028571 k( 308) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0028571 k( 309) = ( 0.0273224 0.0273224 0.5000000), wk = 0.0028571 k( 310) = ( 0.0218579 0.0218579 0.5000000), wk = 0.0028571 k( 311) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0028571 k( 312) = ( 0.0109290 0.0109290 0.5000000), wk = 0.0028571 k( 313) = ( 0.0054645 0.0054645 0.5000000), wk = 0.0028571 k( 314) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 316) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0028571 k( 317) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0028571 k( 318) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0028571 k( 319) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0028571 k( 320) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0028571 k( 321) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0028571 k( 322) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0028571 k( 323) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0028571 k( 324) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0028571 k( 325) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0028571 k( 326) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0028571 k( 327) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0028571 k( 328) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0028571 k( 329) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0028571 k( 330) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0028571 k( 331) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0028571 k( 332) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028571 k( 333) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028571 k( 334) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0028571 k( 335) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0028571 k( 336) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0028571 k( 337) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0028571 k( 338) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0028571 k( 339) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0028571 k( 340) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0028571 k( 341) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0028571 k( 342) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0028571 k( 343) = ( 0.3333333 0.3333333 0.2941176), wk = 0.0028571 k( 344) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0028571 k( 345) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0028571 k( 346) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0028571 k( 347) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0028571 k( 348) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0028571 k( 349) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0028571 k( 350) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028571 Dense grid: 47407 G-vectors FFT dimensions: ( 36, 36, 96) Smooth grid: 28979 G-vectors FFT dimensions: ( 30, 30, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 162, 46) NL pseudopotentials 0.10 Mb ( 81, 82) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 984) G-vector shells 0.00 Mb ( 474) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 162, 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 44.4 secs Computing kpt #: 2 total cpu time spent up to now is 45.5 secs Computing kpt #: 3 total cpu time spent up to now is 46.4 secs Computing kpt #: 4 total cpu time spent up to now is 47.3 secs Computing kpt #: 5 total cpu time spent up to now is 48.2 secs Computing kpt #: 6 total cpu time spent up to now is 49.1 secs Computing kpt #: 7 total cpu time spent up to now is 50.2 secs Computing kpt #: 8 total cpu time spent up to now is 51.1 secs Computing kpt #: 9 total cpu time spent up to now is 51.9 secs Computing kpt #: 10 total cpu time spent up to now is 52.8 secs Computing kpt #: 11 total cpu time spent up to now is 53.7 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 56.4 secs Computing kpt #: 15 total cpu time spent up to now is 57.2 secs Computing kpt #: 16 total cpu time spent up to now is 58.1 secs Computing kpt #: 17 total cpu time spent up to now is 58.9 secs Computing kpt #: 18 total cpu time spent up to now is 59.7 secs Computing kpt #: 19 total cpu time spent up to now is 60.5 secs Computing kpt #: 20 total cpu time spent up to now is 61.4 secs Computing kpt #: 21 total cpu time spent up to now is 62.3 secs Computing kpt #: 22 total cpu time spent up to now is 63.2 secs Computing kpt #: 23 total cpu time spent up to now is 64.0 secs Computing kpt #: 24 total cpu time spent up to now is 64.9 secs Computing kpt #: 25 total cpu time spent up to now is 65.8 secs Computing kpt #: 26 total cpu time spent up to now is 66.9 secs Computing kpt #: 27 total cpu time spent up to now is 68.0 secs Computing kpt #: 28 total cpu time spent up to now is 69.1 secs Computing kpt #: 29 total cpu time spent up to now is 70.2 secs Computing kpt #: 30 total cpu time spent up to now is 71.5 secs Computing kpt #: 31 total cpu time spent up to now is 72.5 secs Computing kpt #: 32 total cpu time spent up to now is 73.6 secs Computing kpt #: 33 total cpu time spent up to now is 74.6 secs Computing kpt #: 34 total cpu time spent up to now is 75.9 secs Computing kpt #: 35 total cpu time spent up to now is 78.4 secs Computing kpt #: 36 total cpu time spent up to now is 80.8 secs Computing kpt #: 37 total cpu time spent up to now is 81.9 secs Computing kpt #: 38 total cpu time spent up to now is 83.1 secs Computing kpt #: 39 total cpu time spent up to now is 84.6 secs Computing kpt #: 40 total cpu time spent up to now is 85.7 secs Computing kpt #: 41 total cpu time spent up to now is 86.9 secs Computing kpt #: 42 total cpu time spent up to now is 87.9 secs Computing kpt #: 43 total cpu time spent up to now is 88.8 secs Computing kpt #: 44 total cpu time spent up to now is 89.7 secs Computing kpt #: 45 total cpu time spent up to now is 90.7 secs Computing kpt #: 46 total cpu time spent up to now is 91.7 secs Computing kpt #: 47 total cpu time spent up to now is 92.7 secs Computing kpt #: 48 total cpu time spent up to now is 93.6 secs Computing kpt #: 49 total cpu time spent up to now is 94.5 secs Computing kpt #: 50 total cpu time spent up to now is 95.6 secs Computing kpt #: 51 total cpu time spent up to now is 98.2 secs Computing kpt #: 52 total cpu time spent up to now is 99.7 secs Computing kpt #: 53 total cpu time spent up to now is 100.6 secs Computing kpt #: 54 total cpu time spent up to now is 101.6 secs Computing kpt #: 55 total cpu time spent up to now is 102.5 secs Computing kpt #: 56 total cpu time spent up to now is 103.6 secs Computing kpt #: 57 total cpu time spent up to now is 104.6 secs Computing kpt #: 58 total cpu time spent up to now is 105.7 secs Computing kpt #: 59 total cpu time spent up to now is 106.7 secs Computing kpt #: 60 total cpu time spent up to now is 107.8 secs Computing kpt #: 61 total cpu time spent up to now is 108.9 secs Computing kpt #: 62 total cpu time spent up to now is 110.0 secs Computing kpt #: 63 total cpu time spent up to now is 111.1 secs Computing kpt #: 64 total cpu time spent up to now is 112.2 secs Computing kpt #: 65 total cpu time spent up to now is 113.3 secs Computing kpt #: 66 total cpu time spent up to now is 114.8 secs Computing kpt #: 67 total cpu time spent up to now is 117.8 secs Computing kpt #: 68 total cpu time spent up to now is 119.5 secs Computing kpt #: 69 total cpu time spent up to now is 120.7 secs Computing kpt #: 70 total cpu time spent up to now is 122.0 secs Computing kpt #: 71 total cpu time spent up to now is 123.2 secs Computing kpt #: 72 total cpu time spent up to now is 124.5 secs Computing kpt #: 73 total cpu time spent up to now is 125.6 secs Computing kpt #: 74 total cpu time spent up to now is 126.7 secs Computing kpt #: 75 total cpu time spent up to now is 128.0 secs Computing kpt #: 76 total cpu time spent up to now is 129.2 secs Computing kpt #: 77 total cpu time spent up to now is 130.4 secs Computing kpt #: 78 total cpu time spent up to now is 131.5 secs Computing kpt #: 79 total cpu time spent up to now is 132.6 secs Computing kpt #: 80 total cpu time spent up to now is 133.7 secs Computing kpt #: 81 total cpu time spent up to now is 134.8 secs Computing kpt #: 82 total cpu time spent up to now is 136.9 secs Computing kpt #: 83 total cpu time spent up to now is 139.7 secs Computing kpt #: 84 total cpu time spent up to now is 141.0 secs Computing kpt #: 85 total cpu time spent up to now is 142.1 secs Computing kpt #: 86 total cpu time spent up to now is 143.1 secs Computing kpt #: 87 total cpu time spent up to now is 144.1 secs Computing kpt #: 88 total cpu time spent up to now is 145.2 secs Computing kpt #: 89 total cpu time spent up to now is 146.3 secs Computing kpt #: 90 total cpu time spent up to now is 147.4 secs Computing kpt #: 91 total cpu time spent up to now is 148.4 secs Computing kpt #: 92 total cpu time spent up to now is 149.5 secs Computing kpt #: 93 total cpu time spent up to now is 150.6 secs Computing kpt #: 94 total cpu time spent up to now is 151.8 secs Computing kpt #: 95 total cpu time spent up to now is 153.1 secs Computing kpt #: 96 total cpu time spent up to now is 154.3 secs Computing kpt #: 97 total cpu time spent up to now is 155.5 secs Computing kpt #: 98 total cpu time spent up to now is 156.7 secs Computing kpt #: 99 total cpu time spent up to now is 157.8 secs Computing kpt #: 100 total cpu time spent up to now is 160.1 secs Computing kpt #: 101 total cpu time spent up to now is 161.9 secs Computing kpt #: 102 total cpu time spent up to now is 163.0 secs Computing kpt #: 103 total cpu time spent up to now is 164.1 secs Computing kpt #: 104 total cpu time spent up to now is 165.3 secs Computing kpt #: 105 total cpu time spent up to now is 166.4 secs Computing kpt #: 106 total cpu time spent up to now is 167.6 secs Computing kpt #: 107 total cpu time spent up to now is 169.0 secs Computing kpt #: 108 total cpu time spent up to now is 170.2 secs Computing kpt #: 109 total cpu time spent up to now is 171.4 secs Computing kpt #: 110 total cpu time spent up to now is 172.5 secs Computing kpt #: 111 total cpu time spent up to now is 173.6 secs Computing kpt #: 112 total cpu time spent up to now is 174.8 secs Computing kpt #: 113 total cpu time spent up to now is 175.9 secs Computing kpt #: 114 total cpu time spent up to now is 177.0 secs Computing kpt #: 115 total cpu time spent up to now is 178.0 secs Computing kpt #: 116 total cpu time spent up to now is 179.0 secs Computing kpt #: 117 total cpu time spent up to now is 180.1 secs Computing kpt #: 118 total cpu time spent up to now is 181.2 secs Computing kpt #: 119 total cpu time spent up to now is 182.4 secs Computing kpt #: 120 total cpu time spent up to now is 183.5 secs Computing kpt #: 121 total cpu time spent up to now is 184.5 secs Computing kpt #: 122 total cpu time spent up to now is 185.6 secs Computing kpt #: 123 total cpu time spent up to now is 186.7 secs Computing kpt #: 124 total cpu time spent up to now is 187.8 secs Computing kpt #: 125 total cpu time spent up to now is 188.8 secs Computing kpt #: 126 total cpu time spent up to now is 189.7 secs Computing kpt #: 127 total cpu time spent up to now is 190.6 secs Computing kpt #: 128 total cpu time spent up to now is 191.5 secs Computing kpt #: 129 total cpu time spent up to now is 192.4 secs Computing kpt #: 130 total cpu time spent up to now is 193.3 secs Computing kpt #: 131 total cpu time spent up to now is 194.3 secs Computing kpt #: 132 total cpu time spent up to now is 195.1 secs Computing kpt #: 133 total cpu time spent up to now is 196.0 secs Computing kpt #: 134 total cpu time spent up to now is 196.9 secs Computing kpt #: 135 total cpu time spent up to now is 197.8 secs Computing kpt #: 136 total cpu time spent up to now is 198.8 secs Computing kpt #: 137 total cpu time spent up to now is 199.8 secs Computing kpt #: 138 total cpu time spent up to now is 200.6 secs Computing kpt #: 139 total cpu time spent up to now is 201.6 secs Computing kpt #: 140 total cpu time spent up to now is 202.4 secs Computing kpt #: 141 total cpu time spent up to now is 203.4 secs Computing kpt #: 142 total cpu time spent up to now is 204.3 secs Computing kpt #: 143 total cpu time spent up to now is 205.3 secs Computing kpt #: 144 total cpu time spent up to now is 206.3 secs Computing kpt #: 145 total cpu time spent up to now is 207.2 secs Computing kpt #: 146 total cpu time spent up to now is 208.1 secs Computing kpt #: 147 total cpu time spent up to now is 209.0 secs Computing kpt #: 148 total cpu time spent up to now is 209.9 secs Computing kpt #: 149 total cpu time spent up to now is 211.0 secs Computing kpt #: 150 total cpu time spent up to now is 212.3 secs Computing kpt #: 151 total cpu time spent up to now is 213.2 secs Computing kpt #: 152 total cpu time spent up to now is 214.1 secs Computing kpt #: 153 total cpu time spent up to now is 214.9 secs Computing kpt #: 154 total cpu time spent up to now is 215.8 secs Computing kpt #: 155 total cpu time spent up to now is 216.7 secs Computing kpt #: 156 total cpu time spent up to now is 217.6 secs Computing kpt #: 157 total cpu time spent up to now is 218.5 secs Computing kpt #: 158 total cpu time spent up to now is 219.5 secs Computing kpt #: 159 total cpu time spent up to now is 220.4 secs Computing kpt #: 160 total cpu time spent up to now is 221.3 secs Computing kpt #: 161 total cpu time spent up to now is 222.2 secs Computing kpt #: 162 total cpu time spent up to now is 223.3 secs Computing kpt #: 163 total cpu time spent up to now is 224.3 secs Computing kpt #: 164 total cpu time spent up to now is 225.2 secs Computing kpt #: 165 total cpu time spent up to now is 226.2 secs Computing kpt #: 166 total cpu time spent up to now is 227.1 secs Computing kpt #: 167 total cpu time spent up to now is 228.1 secs Computing kpt #: 168 total cpu time spent up to now is 229.2 secs Computing kpt #: 169 total cpu time spent up to now is 230.3 secs Computing kpt #: 170 total cpu time spent up to now is 231.4 secs Computing kpt #: 171 total cpu time spent up to now is 232.4 secs Computing kpt #: 172 total cpu time spent up to now is 233.6 secs Computing kpt #: 173 total cpu time spent up to now is 234.5 secs Computing kpt #: 174 total cpu time spent up to now is 235.6 secs Computing kpt #: 175 total cpu time spent up to now is 236.6 secs Computing kpt #: 176 total cpu time spent up to now is 237.5 secs Computing kpt #: 177 total cpu time spent up to now is 238.5 secs Computing kpt #: 178 total cpu time spent up to now is 239.4 secs Computing kpt #: 179 total cpu time spent up to now is 240.3 secs Computing kpt #: 180 total cpu time spent up to now is 241.3 secs Computing kpt #: 181 total cpu time spent up to now is 242.2 secs Computing kpt #: 182 total cpu time spent up to now is 243.2 secs Computing kpt #: 183 total cpu time spent up to now is 244.1 secs Computing kpt #: 184 total cpu time spent up to now is 245.0 secs Computing kpt #: 185 total cpu time spent up to now is 245.9 secs Computing kpt #: 186 total cpu time spent up to now is 246.9 secs Computing kpt #: 187 total cpu time spent up to now is 247.8 secs Computing kpt #: 188 total cpu time spent up to now is 248.7 secs Computing kpt #: 189 total cpu time spent up to now is 249.6 secs Computing kpt #: 190 total cpu time spent up to now is 250.6 secs Computing kpt #: 191 total cpu time spent up to now is 251.5 secs Computing kpt #: 192 total cpu time spent up to now is 252.4 secs Computing kpt #: 193 total cpu time spent up to now is 253.4 secs Computing kpt #: 194 total cpu time spent up to now is 254.4 secs Computing kpt #: 195 total cpu time spent up to now is 255.3 secs Computing kpt #: 196 total cpu time spent up to now is 256.4 secs Computing kpt #: 197 total cpu time spent up to now is 257.5 secs Computing kpt #: 198 total cpu time spent up to now is 258.6 secs Computing kpt #: 199 total cpu time spent up to now is 259.8 secs Computing kpt #: 200 total cpu time spent up to now is 260.9 secs Computing kpt #: 201 total cpu time spent up to now is 262.0 secs Computing kpt #: 202 total cpu time spent up to now is 263.1 secs Computing kpt #: 203 total cpu time spent up to now is 264.2 secs Computing kpt #: 204 total cpu time spent up to now is 265.4 secs Computing kpt #: 205 total cpu time spent up to now is 266.5 secs Computing kpt #: 206 total cpu time spent up to now is 267.6 secs Computing kpt #: 207 total cpu time spent up to now is 268.6 secs Computing kpt #: 208 total cpu time spent up to now is 269.6 secs Computing kpt #: 209 total cpu time spent up to now is 270.8 secs Computing kpt #: 210 total cpu time spent up to now is 271.9 secs Computing kpt #: 211 total cpu time spent up to now is 272.9 secs Computing kpt #: 212 total cpu time spent up to now is 273.9 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 275.9 secs Computing kpt #: 215 total cpu time spent up to now is 276.9 secs Computing kpt #: 216 total cpu time spent up to now is 278.0 secs Computing kpt #: 217 total cpu time spent up to now is 279.0 secs Computing kpt #: 218 total cpu time spent up to now is 280.1 secs Computing kpt #: 219 total cpu time spent up to now is 281.2 secs Computing kpt #: 220 total cpu time spent up to now is 282.2 secs Computing kpt #: 221 total cpu time spent up to now is 283.2 secs Computing kpt #: 222 total cpu time spent up to now is 284.5 secs Computing kpt #: 223 total cpu time spent up to now is 285.5 secs Computing kpt #: 224 total cpu time spent up to now is 286.5 secs Computing kpt #: 225 total cpu time spent up to now is 287.5 secs Computing kpt #: 226 total cpu time spent up to now is 288.5 secs Computing kpt #: 227 total cpu time spent up to now is 289.6 secs Computing kpt #: 228 total cpu time spent up to now is 290.8 secs Computing kpt #: 229 total cpu time spent up to now is 291.9 secs Computing kpt #: 230 total cpu time spent up to now is 293.0 secs Computing kpt #: 231 total cpu time spent up to now is 294.0 secs Computing kpt #: 232 total cpu time spent up to now is 295.0 secs Computing kpt #: 233 total cpu time spent up to now is 296.0 secs Computing kpt #: 234 total cpu time spent up to now is 296.9 secs Computing kpt #: 235 total cpu time spent up to now is 297.9 secs Computing kpt #: 236 total cpu time spent up to now is 298.9 secs Computing kpt #: 237 total cpu time spent up to now is 299.8 secs Computing kpt #: 238 total cpu time spent up to now is 300.9 secs Computing kpt #: 239 total cpu time spent up to now is 301.9 secs Computing kpt #: 240 total cpu time spent up to now is 302.8 secs Computing kpt #: 241 total cpu time spent up to now is 303.8 secs Computing kpt #: 242 total cpu time spent up to now is 304.7 secs Computing kpt #: 243 total cpu time spent up to now is 305.7 secs Computing kpt #: 244 total cpu time spent up to now is 306.6 secs Computing kpt #: 245 total cpu time spent up to now is 307.8 secs Computing kpt #: 246 total cpu time spent up to now is 308.7 secs Computing kpt #: 247 total cpu time spent up to now is 309.7 secs Computing kpt #: 248 total cpu time spent up to now is 310.7 secs Computing kpt #: 249 total cpu time spent up to now is 311.6 secs Computing kpt #: 250 total cpu time spent up to now is 312.5 secs Computing kpt #: 251 total cpu time spent up to now is 313.5 secs Computing kpt #: 252 total cpu time spent up to now is 314.5 secs Computing kpt #: 253 total cpu time spent up to now is 315.4 secs Computing kpt #: 254 total cpu time spent up to now is 316.4 secs Computing kpt #: 255 total cpu time spent up to now is 317.3 secs Computing kpt #: 256 total cpu time spent up to now is 318.2 secs Computing kpt #: 257 total cpu time spent up to now is 319.2 secs Computing kpt #: 258 total cpu time spent up to now is 320.2 secs Computing kpt #: 259 total cpu time spent up to now is 321.1 secs Computing kpt #: 260 total cpu time spent up to now is 322.1 secs Computing kpt #: 261 total cpu time spent up to now is 323.1 secs Computing kpt #: 262 total cpu time spent up to now is 324.1 secs Computing kpt #: 263 total cpu time spent up to now is 325.1 secs Computing kpt #: 264 total cpu time spent up to now is 326.1 secs Computing kpt #: 265 total cpu time spent up to now is 327.1 secs Computing kpt #: 266 total cpu time spent up to now is 328.1 secs Computing kpt #: 267 total cpu time spent up to now is 329.0 secs Computing kpt #: 268 total cpu time spent up to now is 330.0 secs Computing kpt #: 269 total cpu time spent up to now is 331.0 secs Computing kpt #: 270 total cpu time spent up to now is 332.0 secs Computing kpt #: 271 total cpu time spent up to now is 332.9 secs Computing kpt #: 272 total cpu time spent up to now is 333.9 secs Computing kpt #: 273 total cpu time spent up to now is 334.9 secs Computing kpt #: 274 total cpu time spent up to now is 335.9 secs Computing kpt #: 275 total cpu time spent up to now is 337.0 secs Computing kpt #: 276 total cpu time spent up to now is 338.1 secs Computing kpt #: 277 total cpu time spent up to now is 339.1 secs Computing kpt #: 278 total cpu time spent up to now is 340.2 secs Computing kpt #: 279 total cpu time spent up to now is 341.3 secs Computing kpt #: 280 total cpu time spent up to now is 342.3 secs Computing kpt #: 281 total cpu time spent up to now is 343.4 secs Computing kpt #: 282 total cpu time spent up to now is 344.6 secs Computing kpt #: 283 total cpu time spent up to now is 345.6 secs Computing kpt #: 284 total cpu time spent up to now is 346.6 secs Computing kpt #: 285 total cpu time spent up to now is 347.6 secs Computing kpt #: 286 total cpu time spent up to now is 348.5 secs Computing kpt #: 287 total cpu time spent up to now is 349.5 secs Computing kpt #: 288 total cpu time spent up to now is 350.4 secs Computing kpt #: 289 total cpu time spent up to now is 351.4 secs Computing kpt #: 290 total cpu time spent up to now is 352.3 secs Computing kpt #: 291 total cpu time spent up to now is 353.3 secs Computing kpt #: 292 total cpu time spent up to now is 354.2 secs Computing kpt #: 293 total cpu time spent up to now is 355.2 secs Computing kpt #: 294 total cpu time spent up to now is 356.2 secs Computing kpt #: 295 total cpu time spent up to now is 357.2 secs Computing kpt #: 296 total cpu time spent up to now is 358.2 secs Computing kpt #: 297 total cpu time spent up to now is 359.1 secs Computing kpt #: 298 total cpu time spent up to now is 360.0 secs Computing kpt #: 299 total cpu time spent up to now is 361.0 secs Computing kpt #: 300 total cpu time spent up to now is 362.0 secs Computing kpt #: 301 total cpu time spent up to now is 362.9 secs Computing kpt #: 302 total cpu time spent up to now is 363.9 secs Computing kpt #: 303 total cpu time spent up to now is 364.8 secs Computing kpt #: 304 total cpu time spent up to now is 365.8 secs Computing kpt #: 305 total cpu time spent up to now is 366.7 secs Computing kpt #: 306 total cpu time spent up to now is 367.7 secs Computing kpt #: 307 total cpu time spent up to now is 368.7 secs Computing kpt #: 308 total cpu time spent up to now is 369.7 secs Computing kpt #: 309 total cpu time spent up to now is 370.7 secs Computing kpt #: 310 total cpu time spent up to now is 371.7 secs Computing kpt #: 311 total cpu time spent up to now is 372.7 secs Computing kpt #: 312 total cpu time spent up to now is 373.7 secs Computing kpt #: 313 total cpu time spent up to now is 374.7 secs Computing kpt #: 314 total cpu time spent up to now is 375.7 secs Computing kpt #: 315 total cpu time spent up to now is 376.7 secs Computing kpt #: 316 total cpu time spent up to now is 377.9 secs Computing kpt #: 317 total cpu time spent up to now is 379.3 secs Computing kpt #: 318 total cpu time spent up to now is 380.4 secs Computing kpt #: 319 total cpu time spent up to now is 381.6 secs Computing kpt #: 320 total cpu time spent up to now is 382.9 secs Computing kpt #: 321 total cpu time spent up to now is 384.8 secs Computing kpt #: 322 total cpu time spent up to now is 386.6 secs Computing kpt #: 323 total cpu time spent up to now is 388.3 secs Computing kpt #: 324 total cpu time spent up to now is 389.7 secs Computing kpt #: 325 total cpu time spent up to now is 390.8 secs Computing kpt #: 326 total cpu time spent up to now is 391.9 secs Computing kpt #: 327 total cpu time spent up to now is 392.9 secs Computing kpt #: 328 total cpu time spent up to now is 393.8 secs Computing kpt #: 329 total cpu time spent up to now is 394.8 secs Computing kpt #: 330 total cpu time spent up to now is 395.8 secs Computing kpt #: 331 total cpu time spent up to now is 396.8 secs Computing kpt #: 332 total cpu time spent up to now is 397.8 secs Computing kpt #: 333 total cpu time spent up to now is 398.8 secs Computing kpt #: 334 total cpu time spent up to now is 399.9 secs Computing kpt #: 335 total cpu time spent up to now is 400.9 secs Computing kpt #: 336 total cpu time spent up to now is 402.0 secs Computing kpt #: 337 total cpu time spent up to now is 403.1 secs Computing kpt #: 338 total cpu time spent up to now is 404.2 secs Computing kpt #: 339 total cpu time spent up to now is 405.3 secs Computing kpt #: 340 total cpu time spent up to now is 406.4 secs Computing kpt #: 341 total cpu time spent up to now is 407.5 secs Computing kpt #: 342 total cpu time spent up to now is 408.8 secs Computing kpt #: 343 total cpu time spent up to now is 409.9 secs Computing kpt #: 344 total cpu time spent up to now is 410.9 secs Computing kpt #: 345 total cpu time spent up to now is 411.8 secs Computing kpt #: 346 total cpu time spent up to now is 412.8 secs Computing kpt #: 347 total cpu time spent up to now is 413.7 secs Computing kpt #: 348 total cpu time spent up to now is 414.7 secs Computing kpt #: 349 total cpu time spent up to now is 415.8 secs Computing kpt #: 350 total cpu time spent up to now is 416.7 secs ethr = 2.63E-11, avg # of iterations = 19.6 total cpu time spent up to now is 416.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3621 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7482 -5.7482 -5.7056 -5.7056 -5.0115 -5.0115 -4.8757 -4.8757 -4.7684 -4.7684 -4.5505 -4.5505 -4.0283 -4.0283 1.7564 1.7564 5.0036 5.0036 5.6943 5.6943 7.4701 7.4701 7.5376 7.5376 8.2231 8.2231 8.4487 8.4487 9.6577 9.6577 11.6518 11.6518 11.7287 11.7287 11.8021 11.8021 11.9374 11.9374 k = 0.0094 0.0054-0.0000 ( 3617 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1353 -21.1353 -5.7481 -5.7481 -5.7055 -5.7055 -5.0113 -5.0113 -4.8756 -4.8756 -4.7684 -4.7684 -4.5498 -4.5498 -4.0277 -4.0277 1.7578 1.7578 5.0050 5.0050 5.6943 5.6943 7.4684 7.4684 7.5361 7.5361 8.2208 8.2208 8.4462 8.4462 9.6565 9.6565 11.6500 11.6500 11.7276 11.7276 11.8000 11.8000 11.9356 11.9356 k = 0.0189 0.0109-0.0000 ( 3611 PWs) bands (ev): -45.8234 -45.8234 -23.3035 -23.3035 -21.2340 -21.2340 -21.1357 -21.1357 -5.7478 -5.7478 -5.7053 -5.7053 -5.0105 -5.0105 -4.8753 -4.8753 -4.7685 -4.7685 -4.5476 -4.5476 -4.0260 -4.0260 1.7622 1.7622 5.0093 5.0093 5.6941 5.6941 7.4622 7.4622 7.5329 7.5329 8.2139 8.2139 8.4389 8.4389 9.6529 9.6529 11.6446 11.6446 11.7237 11.7237 11.7939 11.7939 11.9309 11.9309 k = 0.0283 0.0163-0.0000 ( 3603 PWs) bands (ev): -45.8232 -45.8232 -23.3038 -23.3038 -21.2341 -21.2341 -21.1365 -21.1365 -5.7474 -5.7474 -5.7050 -5.7050 -5.0091 -5.0091 -4.8749 -4.8749 -4.7687 -4.7687 -4.5440 -4.5440 -4.0231 -4.0231 1.7694 1.7694 5.0165 5.0165 5.6938 5.6938 7.4490 7.4490 7.5304 7.5304 8.2023 8.2023 8.4267 8.4267 9.6468 9.6468 11.6356 11.6356 11.7152 11.7152 11.7846 11.7846 11.9257 11.9257 k = 0.0377 0.0218-0.0000 ( 3599 PWs) bands (ev): -45.8230 -45.8230 -23.3042 -23.3042 -21.2342 -21.2342 -21.1375 -21.1375 -5.7468 -5.7468 -5.7047 -5.7047 -5.0073 -5.0073 -4.8744 -4.8744 -4.7690 -4.7690 -4.5390 -4.5390 -4.0191 -4.0191 1.7796 1.7796 5.0266 5.0266 5.6933 5.6933 7.4268 7.4268 7.5309 7.5309 8.1861 8.1861 8.4097 8.4097 9.6383 9.6383 11.6228 11.6228 11.7004 11.7004 11.7726 11.7726 11.9228 11.9228 k = 0.0472 0.0272-0.0000 ( 3601 PWs) bands (ev): -45.8229 -45.8229 -23.3048 -23.3048 -21.2344 -21.2344 -21.1388 -21.1388 -5.7462 -5.7462 -5.7043 -5.7043 -5.0050 -5.0050 -4.8738 -4.8738 -4.7694 -4.7694 -4.5325 -4.5325 -4.0140 -4.0140 1.7927 1.7927 5.0395 5.0395 5.6927 5.6927 7.3954 7.3954 7.5349 7.5349 8.1654 8.1654 8.3880 8.3880 9.6272 9.6272 11.6063 11.6063 11.6786 11.6786 11.7582 11.7582 11.9251 11.9251 k = 0.0566 0.0327-0.0000 ( 3605 PWs) bands (ev): -45.8227 -45.8227 -23.3054 -23.3054 -21.2347 -21.2347 -21.1404 -21.1404 -5.7454 -5.7454 -5.7038 -5.7038 -5.0024 -5.0024 -4.8730 -4.8730 -4.7700 -4.7700 -4.5245 -4.5245 -4.0077 -4.0077 1.8086 1.8086 5.0551 5.0551 5.6920 5.6920 7.3555 7.3555 7.5418 7.5418 8.1401 8.1401 8.3620 8.3620 9.6134 9.6134 11.5859 11.5859 11.6507 11.6507 11.7414 11.7414 11.9339 11.9339 k = 0.0660 0.0381-0.0000 ( 3609 PWs) bands (ev): -45.8225 -45.8225 -23.3062 -23.3062 -21.2349 -21.2349 -21.1423 -21.1423 -5.7445 -5.7445 -5.7032 -5.7032 -4.9994 -4.9994 -4.8721 -4.8721 -4.7706 -4.7706 -4.5149 -4.5149 -4.0003 -4.0003 1.8275 1.8275 5.0736 5.0736 5.6910 5.6910 7.3081 7.3081 7.5512 7.5512 8.1104 8.1104 8.3317 8.3317 9.5969 9.5969 11.5614 11.5614 11.6193 11.6193 11.7223 11.7223 11.9489 11.9489 k = 0.0755 0.0436-0.0000 ( 3605 PWs) bands (ev): -45.8222 -45.8222 -23.3071 -23.3071 -21.2353 -21.2353 -21.1444 -21.1444 -5.7435 -5.7435 -5.7025 -5.7025 -4.9960 -4.9960 -4.8710 -4.8710 -4.7713 -4.7713 -4.5038 -4.5038 -3.9919 -3.9919 1.8492 1.8492 5.0947 5.0947 5.6898 5.6898 7.2539 7.2539 7.5625 7.5625 8.0762 8.0762 8.2976 8.2976 9.5776 9.5776 11.5326 11.5326 11.5869 11.5869 11.7018 11.7018 11.9693 11.9693 k = 0.0849 0.0490-0.0000 ( 3619 PWs) bands (ev): -45.8220 -45.8220 -23.3081 -23.3081 -21.2357 -21.2357 -21.1467 -21.1467 -5.7425 -5.7425 -5.7018 -5.7018 -4.9924 -4.9924 -4.8699 -4.8699 -4.7721 -4.7721 -4.4911 -4.4911 -3.9823 -3.9823 1.8737 1.8737 5.1184 5.1184 5.6884 5.6884 7.1935 7.1935 7.5756 7.5756 8.0374 8.0374 8.2599 8.2599 9.5553 9.5553 11.4997 11.4997 11.5555 11.5555 11.6802 11.6802 11.9941 11.9941 k = 0.0943 0.0545-0.0000 ( 3625 PWs) bands (ev): -45.8217 -45.8217 -23.3092 -23.3092 -21.2362 -21.2362 -21.1493 -21.1493 -5.7413 -5.7413 -5.7009 -5.7009 -4.9886 -4.9886 -4.8685 -4.8685 -4.7730 -4.7730 -4.4768 -4.4768 -3.9718 -3.9718 1.9011 1.9011 5.1448 5.1448 5.6866 5.6866 7.1276 7.1276 7.5902 7.5902 7.9943 7.9943 8.2192 8.2192 9.5301 9.5301 11.4641 11.4641 11.5263 11.5263 11.6580 11.6580 12.0224 12.0224 k = 0.1038 0.0599-0.0000 ( 3629 PWs) bands (ev): -45.8214 -45.8214 -23.3104 -23.3104 -21.2367 -21.2367 -21.1520 -21.1520 -5.7401 -5.7401 -5.7000 -5.7000 -4.9846 -4.9846 -4.8672 -4.8672 -4.7739 -4.7739 -4.4608 -4.4608 -3.9602 -3.9602 1.9313 1.9313 5.1735 5.1735 5.6845 5.6845 7.0567 7.0567 7.6062 7.6062 7.9467 7.9467 8.1759 8.1759 9.5019 9.5019 11.4275 11.4275 11.4990 11.4990 11.6355 11.6355 12.0535 12.0535 k = 0.1132 0.0654-0.0000 ( 3629 PWs) bands (ev): -45.8210 -45.8210 -23.3117 -23.3117 -21.2373 -21.2373 -21.1549 -21.1549 -5.7388 -5.7388 -5.6990 -5.6990 -4.9804 -4.9804 -4.8656 -4.8656 -4.7748 -4.7748 -4.4432 -4.4432 -3.9476 -3.9476 1.9643 1.9643 5.2047 5.2047 5.6821 5.6821 6.9812 6.9812 7.6234 7.6234 7.8947 7.8947 8.1304 8.1304 9.4707 9.4707 11.3917 11.3917 11.4738 11.4738 11.6129 11.6129 12.0868 12.0868 k = 0.1226 0.0708-0.0000 ( 3631 PWs) bands (ev): -45.8205 -45.8205 -23.3131 -23.3131 -21.2380 -21.2380 -21.1580 -21.1580 -5.7375 -5.7375 -5.6980 -5.6980 -4.9762 -4.9762 -4.8640 -4.8640 -4.7757 -4.7757 -4.4240 -4.4240 -3.9340 -3.9340 2.0001 2.0001 5.2381 5.2381 5.6791 5.6791 6.9018 6.9018 7.6415 7.6415 7.8385 7.8385 8.0834 8.0834 9.4367 9.4367 11.3578 11.3578 11.4507 11.4507 11.5904 11.5904 12.1218 12.1218 k = 0.1321 0.0763-0.0000 ( 3631 PWs) bands (ev): -45.8201 -45.8201 -23.3146 -23.3146 -21.2389 -21.2389 -21.1612 -21.1612 -5.7361 -5.7361 -5.6968 -5.6968 -4.9719 -4.9719 -4.8624 -4.8624 -4.7765 -4.7765 -4.4031 -4.4031 -3.9195 -3.9195 2.0387 2.0387 5.2736 5.2736 5.6757 5.6757 6.8189 6.8189 7.6598 7.6598 7.7791 7.7791 8.0354 8.0354 9.3998 9.3998 11.3267 11.3267 11.4299 11.4299 11.5682 11.5682 12.1581 12.1581 k = 0.1415 0.0817-0.0000 ( 3631 PWs) bands (ev): -45.8196 -45.8196 -23.3162 -23.3162 -21.2398 -21.2398 -21.1645 -21.1645 -5.7347 -5.7347 -5.6956 -5.6956 -4.9676 -4.9676 -4.8606 -4.8606 -4.7774 -4.7774 -4.3805 -4.3805 -3.9041 -3.9041 2.0799 2.0799 5.3110 5.3110 5.6716 5.6716 6.7330 6.7330 7.6726 7.6726 7.7218 7.7218 7.9866 7.9866 9.3604 9.3604 11.2989 11.2989 11.4118 11.4118 11.5464 11.5464 12.1953 12.1953 k = 0.1509 0.0871-0.0000 ( 3621 PWs) bands (ev): -45.8190 -45.8190 -23.3179 -23.3179 -21.2408 -21.2408 -21.1679 -21.1679 -5.7333 -5.7333 -5.6943 -5.6943 -4.9633 -4.9633 -4.8587 -4.8587 -4.7781 -4.7781 -4.3563 -4.3563 -3.8878 -3.8878 2.1238 2.1238 5.3501 5.3501 5.6669 5.6669 6.6447 6.6447 7.6355 7.6355 7.7116 7.7116 7.9376 7.9376 9.3186 9.3186 11.2749 11.2749 11.3964 11.3964 11.5252 11.5252 12.2331 12.2331 k = 0.1604 0.0926-0.0000 ( 3619 PWs) bands (ev): -45.8184 -45.8184 -23.3196 -23.3196 -21.2421 -21.2421 -21.1712 -21.1712 -5.7319 -5.7319 -5.6929 -5.6929 -4.9591 -4.9591 -4.8569 -4.8569 -4.7788 -4.7788 -4.3306 -4.3306 -3.8708 -3.8708 2.1704 2.1704 5.3905 5.3905 5.6616 5.6616 6.5543 6.5543 7.5673 7.5673 7.7296 7.7296 7.8889 7.8889 9.2749 9.2749 11.2548 11.2548 11.3840 11.3840 11.5049 11.5049 12.2712 12.2712 k = 0.1698 0.0980-0.0000 ( 3623 PWs) bands (ev): -45.8179 -45.8179 -23.3215 -23.3215 -21.2435 -21.2435 -21.1746 -21.1746 -5.7306 -5.7306 -5.6916 -5.6916 -4.9550 -4.9550 -4.8552 -4.8552 -4.7794 -4.7794 -4.3033 -4.3033 -3.8529 -3.8529 2.2195 2.2195 5.4318 5.4318 5.6555 5.6555 6.4625 6.4625 7.4940 7.4940 7.7492 7.7492 7.8417 7.8417 9.2295 9.2295 11.2388 11.2388 11.3745 11.3745 11.4856 11.4856 12.3093 12.3093 k = 0.1792 0.1035-0.0000 ( 3621 PWs) bands (ev): -45.8173 -45.8173 -23.3234 -23.3234 -21.2450 -21.2450 -21.1779 -21.1779 -5.7293 -5.7293 -5.6902 -5.6902 -4.9510 -4.9510 -4.8534 -4.8534 -4.7798 -4.7798 -4.2745 -4.2745 -3.8343 -3.8343 2.2712 2.2712 5.4731 5.4731 5.6491 5.6491 6.3699 6.3699 7.4182 7.4182 7.7597 7.7597 7.8047 7.8047 9.1829 9.1829 11.2269 11.2269 11.3680 11.3680 11.4675 11.4675 12.3470 12.3470 k = 0.1887 0.1089-0.0000 ( 3629 PWs) bands (ev): -45.8168 -45.8168 -23.3253 -23.3253 -21.2468 -21.2468 -21.1812 -21.1812 -5.7281 -5.7281 -5.6888 -5.6888 -4.9471 -4.9471 -4.8518 -4.8518 -4.7802 -4.7802 -4.2443 -4.2443 -3.8150 -3.8150 2.3254 2.3254 5.5128 5.5128 5.6432 5.6432 6.2772 6.2772 7.3409 7.3409 7.7306 7.7306 7.8082 7.8082 9.1355 9.1355 11.2190 11.2190 11.3643 11.3643 11.4508 11.4508 12.3844 12.3844 k = 0.1981 0.1144-0.0000 ( 3629 PWs) bands (ev): -45.8162 -45.8162 -23.3273 -23.3273 -21.2489 -21.2489 -21.1843 -21.1843 -5.7269 -5.7269 -5.6874 -5.6874 -4.9433 -4.9433 -4.8502 -4.8502 -4.7802 -4.7802 -4.2127 -4.2127 -3.7950 -3.7950 2.3820 2.3820 5.5468 5.5468 5.6408 5.6408 6.1856 6.1856 7.2629 7.2629 7.6853 7.6853 7.8286 7.8286 9.0878 9.0878 11.2151 11.2151 11.3633 11.3633 11.4358 11.4358 12.4210 12.4210 k = 0.2075 0.1198-0.0000 ( 3633 PWs) bands (ev): -45.8156 -45.8156 -23.3294 -23.3294 -21.2511 -21.2511 -21.1872 -21.1872 -5.7258 -5.7258 -5.6860 -5.6860 -4.9396 -4.9396 -4.8488 -4.8488 -4.7801 -4.7801 -4.1799 -4.1799 -3.7745 -3.7745 2.4410 2.4410 5.5657 5.5657 5.6490 5.6490 6.0970 6.0970 7.1850 7.1850 7.6382 7.6382 7.8513 7.8513 9.0403 9.0403 11.2150 11.2150 11.3647 11.3647 11.4227 11.4227 12.4569 12.4569 k = 0.2170 0.1253-0.0000 ( 3633 PWs) bands (ev): -45.8150 -45.8150 -23.3315 -23.3315 -21.2536 -21.2536 -21.1900 -21.1900 -5.7246 -5.7246 -5.6846 -5.6846 -4.9361 -4.9361 -4.8475 -4.8475 -4.7797 -4.7797 -4.1458 -4.1458 -3.7535 -3.7535 2.5022 2.5022 5.5645 5.5645 5.6690 5.6690 6.0153 6.0153 7.1079 7.1079 7.5912 7.5912 7.8745 7.8745 8.9936 8.9936 11.2185 11.2185 11.3682 11.3682 11.4119 11.4119 12.4917 12.4917 k = 0.2264 0.1307-0.0000 ( 3630 PWs) bands (ev): -45.8143 -45.8143 -23.3337 -23.3337 -21.2564 -21.2564 -21.1926 -21.1926 -5.7236 -5.7236 -5.6831 -5.6831 -4.9327 -4.9327 -4.8464 -4.8464 -4.7789 -4.7789 -4.1107 -4.1107 -3.7319 -3.7319 2.5655 2.5655 5.5501 5.5501 5.6844 5.6844 5.9497 5.9497 7.0323 7.0323 7.5447 7.5447 7.8976 7.8976 8.9481 8.9481 11.2254 11.2254 11.3730 11.3730 11.4037 11.4037 12.5254 12.5254 k = 0.2358 0.1362-0.0000 ( 3626 PWs) bands (ev): -45.8137 -45.8137 -23.3358 -23.3358 -21.2594 -21.2594 -21.1949 -21.1949 -5.7227 -5.7227 -5.6817 -5.6817 -4.9294 -4.9294 -4.8455 -4.8455 -4.7779 -4.7779 -4.0746 -4.0746 -3.7100 -3.7100 2.6310 2.6310 5.5268 5.5268 5.6739 5.6739 5.9169 5.9169 6.9589 6.9589 7.4989 7.4989 7.9206 7.9206 8.9043 8.9043 11.2353 11.2353 11.3777 11.3777 11.3995 11.3995 12.5579 12.5579 k = 0.2453 0.1416-0.0000 ( 3634 PWs) bands (ev): -45.8131 -45.8131 -23.3380 -23.3380 -21.2626 -21.2626 -21.1970 -21.1970 -5.7219 -5.7219 -5.6803 -5.6803 -4.9263 -4.9263 -4.8450 -4.8450 -4.7765 -4.7765 -4.0377 -4.0377 -3.6877 -3.6877 2.6983 2.6983 5.4937 5.4937 5.6319 5.6319 5.9232 5.9232 6.8884 6.8884 7.4539 7.4539 7.9430 7.9430 8.8627 8.8627 11.2479 11.2479 11.3801 11.3801 11.4009 11.4009 12.5890 12.5890 k = 0.2547 0.1471-0.0000 ( 3638 PWs) bands (ev): -45.8125 -45.8125 -23.3402 -23.3402 -21.2661 -21.2661 -21.1989 -21.1989 -5.7211 -5.7211 -5.6790 -5.6790 -4.9233 -4.9233 -4.8446 -4.8446 -4.7749 -4.7749 -4.0000 -4.0000 -3.6652 -3.6652 2.7674 2.7674 5.4471 5.4471 5.5778 5.5778 5.9529 5.9529 6.8214 6.8214 7.4099 7.4099 7.9649 7.9649 8.8237 8.8237 11.2627 11.2627 11.3809 11.3809 11.4066 11.4066 12.6166 12.6166 k = 0.2642 0.1525-0.0000 ( 3632 PWs) bands (ev): -45.8118 -45.8118 -23.3424 -23.3424 -21.2697 -21.2697 -21.2006 -21.2006 -5.7203 -5.7203 -5.6776 -5.6776 -4.9204 -4.9204 -4.8443 -4.8443 -4.7730 -4.7730 -3.9617 -3.9617 -3.6425 -3.6425 2.8382 2.8382 5.3843 5.3843 5.5274 5.5274 5.9925 5.9925 6.7584 6.7584 7.3669 7.3669 7.9860 7.9860 8.7879 8.7879 11.2788 11.2788 11.3823 11.3823 11.4132 11.4132 12.4436 12.4436 k = 0.2736 0.1580-0.0000 ( 3628 PWs) bands (ev): -45.8111 -45.8111 -23.3446 -23.3446 -21.2735 -21.2735 -21.2021 -21.2021 -5.7196 -5.7196 -5.6762 -5.6762 -4.9176 -4.9176 -4.8443 -4.8443 -4.7707 -4.7707 -3.9229 -3.9229 -3.6196 -3.6196 2.9104 2.9104 5.3090 5.3090 5.4828 5.4828 6.0362 6.0362 6.6999 6.6999 7.3251 7.3251 8.0064 8.0064 8.7554 8.7554 11.2945 11.2945 11.3851 11.3851 11.4177 11.4177 12.2448 12.2448 k = 0.2830 0.1634-0.0000 ( 3628 PWs) bands (ev): -45.8105 -45.8105 -23.3468 -23.3468 -21.2774 -21.2774 -21.2034 -21.2034 -5.7190 -5.7190 -5.6750 -5.6750 -4.9150 -4.9150 -4.8445 -4.8445 -4.7683 -4.7683 -3.8838 -3.8838 -3.5967 -3.5967 2.9838 2.9838 5.2274 5.2274 5.4406 5.4406 6.0814 6.0814 6.6463 6.6463 7.2845 7.2845 8.0258 8.0258 8.7267 8.7267 11.3053 11.3053 11.3882 11.3882 11.4192 11.4192 12.0626 12.0626 k = 0.2925 0.1688-0.0000 ( 3618 PWs) bands (ev): -45.8098 -45.8098 -23.3490 -23.3490 -21.2813 -21.2813 -21.2045 -21.2045 -5.7184 -5.7184 -5.6737 -5.6737 -4.9124 -4.9124 -4.8448 -4.8448 -4.7656 -4.7656 -3.8445 -3.8445 -3.5738 -3.5738 3.0581 3.0581 5.1434 5.1434 5.3981 5.3981 6.1270 6.1270 6.5978 6.5978 7.2451 7.2451 8.0442 8.0442 8.7019 8.7019 11.2961 11.2961 11.3883 11.3883 11.4230 11.4230 11.9099 11.9099 k = 0.3019 0.1743-0.0000 ( 3614 PWs) bands (ev): -45.8091 -45.8091 -23.3511 -23.3511 -21.2854 -21.2854 -21.2055 -21.2055 -5.7180 -5.7180 -5.6725 -5.6725 -4.9099 -4.9099 -4.8453 -4.8453 -4.7628 -4.7628 -3.8051 -3.8051 -3.5511 -3.5511 3.1331 3.1331 5.0593 5.0593 5.3542 5.3542 6.1722 6.1722 6.5544 6.5544 7.2071 7.2071 8.0616 8.0616 8.6812 8.6812 11.2362 11.2362 11.3921 11.3921 11.4360 11.4360 11.8037 11.8037 k = 0.3113 0.1797-0.0000 ( 3614 PWs) bands (ev): -45.8085 -45.8085 -23.3532 -23.3532 -21.2894 -21.2894 -21.2064 -21.2064 -5.7175 -5.7175 -5.6714 -5.6714 -4.9076 -4.9076 -4.8458 -4.8458 -4.7599 -4.7599 -3.7659 -3.7659 -3.5285 -3.5285 3.2085 3.2085 4.9763 4.9763 5.3087 5.3087 6.2165 6.2165 6.5163 6.5163 7.1705 7.1705 8.0779 8.0779 8.6645 8.6645 11.1185 11.1185 11.4034 11.4034 11.4563 11.4563 11.7488 11.7488 k = 0.3208 0.1852-0.0000 ( 3618 PWs) bands (ev): -45.8080 -45.8080 -23.3553 -23.3553 -21.2934 -21.2934 -21.2071 -21.2071 -5.7172 -5.7172 -5.6704 -5.6704 -4.9055 -4.9055 -4.8465 -4.8465 -4.7569 -4.7569 -3.7270 -3.7270 -3.5063 -3.5063 3.2837 3.2837 4.8953 4.8953 5.2615 5.2615 6.2595 6.2595 6.4835 6.4835 7.1354 7.1354 8.0931 8.0931 8.6518 8.6518 10.9644 10.9644 11.4182 11.4182 11.4814 11.4814 11.7306 11.7306 k = 0.3302 0.1906-0.0000 ( 3612 PWs) bands (ev): -45.8073 -45.8073 -23.3573 -23.3573 -21.2973 -21.2973 -21.2078 -21.2078 -5.7168 -5.7168 -5.6694 -5.6694 -4.9034 -4.9034 -4.8472 -4.8472 -4.7539 -4.7539 -3.6885 -3.6885 -3.4844 -3.4844 3.3584 3.3584 4.8171 4.8171 5.2131 5.2131 6.3003 6.3003 6.4564 6.4564 7.1018 7.1018 8.1072 8.1072 8.6427 8.6427 10.7933 10.7933 11.4349 11.4349 11.5094 11.5094 11.7328 11.7328 k = 0.3396 0.1961-0.0000 ( 3616 PWs) bands (ev): -45.8068 -45.8068 -23.3593 -23.3593 -21.3012 -21.3012 -21.2084 -21.2084 -5.7166 -5.7166 -5.6685 -5.6685 -4.9014 -4.9014 -4.8479 -4.8479 -4.7509 -4.7509 -3.6506 -3.6506 -3.4630 -3.4630 3.4319 3.4319 4.7423 4.7423 5.1640 5.1640 6.3365 6.3365 6.4373 6.4373 7.0698 7.0698 8.1202 8.1202 8.6367 8.6367 10.6162 10.6162 11.4529 11.4529 11.5393 11.5393 11.7460 11.7460 k = 0.3491 0.2015-0.0000 ( 3628 PWs) bands (ev): -45.8064 -45.8064 -23.3612 -23.3612 -21.3050 -21.3050 -21.2089 -21.2089 -5.7164 -5.7164 -5.6678 -5.6678 -4.8996 -4.8996 -4.8488 -4.8488 -4.7479 -4.7479 -3.6136 -3.6136 -3.4422 -3.4422 3.5036 3.5036 4.6716 4.6716 5.1145 5.1145 6.3598 6.3598 6.4344 6.4344 7.0394 7.0394 8.1321 8.1321 8.6331 8.6331 10.4386 10.4386 11.4723 11.4723 11.5703 11.5703 11.7655 11.7655 k = 0.3585 0.2070-0.0000 ( 3620 PWs) bands (ev): -45.8058 -45.8058 -23.3630 -23.3630 -21.3087 -21.3087 -21.2093 -21.2093 -5.7162 -5.7162 -5.6669 -5.6669 -4.8979 -4.8979 -4.8494 -4.8494 -4.7449 -4.7449 -3.5775 -3.5775 -3.4220 -3.4220 3.5724 3.5724 4.6057 4.6057 5.0654 5.0654 6.3611 6.3611 6.4566 6.4566 7.0106 7.0106 8.1430 8.1430 8.6310 8.6310 10.2640 10.2640 11.4927 11.4927 11.6019 11.6019 11.7888 11.7888 k = 0.3679 0.2124-0.0000 ( 3616 PWs) bands (ev): -45.8053 -45.8053 -23.3648 -23.3648 -21.3122 -21.3122 -21.2096 -21.2096 -5.7160 -5.7160 -5.6662 -5.6662 -4.8963 -4.8963 -4.8501 -4.8501 -4.7420 -4.7420 -3.5426 -3.5426 -3.4026 -3.4026 3.6375 3.6375 4.5457 4.5457 5.0171 5.0171 6.3519 6.3519 6.4924 6.4924 6.9836 6.9836 8.1528 8.1528 8.6287 8.6287 10.0949 10.0949 11.5139 11.5139 11.6335 11.6335 11.8146 11.8146 k = 0.3774 0.2179-0.0000 ( 3620 PWs) bands (ev): -45.8048 -45.8048 -23.3664 -23.3664 -21.3155 -21.3155 -21.2100 -21.2100 -5.7159 -5.7159 -5.6656 -5.6656 -4.8949 -4.8949 -4.8509 -4.8509 -4.7391 -4.7391 -3.5091 -3.5091 -3.3840 -3.3840 3.6972 3.6972 4.4926 4.4926 4.9700 4.9700 6.3412 6.3412 6.5330 6.5330 6.9583 6.9583 8.1615 8.1615 8.6246 8.6246 9.9338 9.9338 11.5357 11.5357 11.6648 11.6648 11.8420 11.8420 k = 0.3868 0.2233-0.0000 ( 3620 PWs) bands (ev): -45.8044 -45.8044 -23.3680 -23.3680 -21.3187 -21.3187 -21.2102 -21.2102 -5.7158 -5.7158 -5.6649 -5.6649 -4.8935 -4.8935 -4.8515 -4.8515 -4.7365 -4.7365 -3.4772 -3.4772 -3.3664 -3.3664 3.7501 3.7501 4.4479 4.4479 4.9248 4.9248 6.3311 6.3311 6.5762 6.5762 6.9348 6.9348 8.1694 8.1694 8.6160 8.6160 9.7832 9.7832 11.5578 11.5578 11.6954 11.6954 11.8704 11.8704 k = 0.3962 0.2288-0.0000 ( 3614 PWs) bands (ev): -45.8039 -45.8039 -23.3695 -23.3695 -21.3216 -21.3216 -21.2105 -21.2105 -5.7157 -5.7157 -5.6644 -5.6644 -4.8923 -4.8923 -4.8520 -4.8520 -4.7339 -4.7339 -3.4470 -3.4470 -3.3498 -3.3498 3.7940 3.7940 4.4132 4.4132 4.8818 4.8818 6.3223 6.3223 6.6218 6.6218 6.9132 6.9132 8.1762 8.1762 8.5998 8.5998 9.6464 9.6464 11.5798 11.5798 11.7251 11.7251 11.8993 11.8993 k = 0.4057 0.2342-0.0000 ( 3618 PWs) bands (ev): -45.8036 -45.8036 -23.3708 -23.3708 -21.3244 -21.3244 -21.2107 -21.2107 -5.7156 -5.7156 -5.6639 -5.6639 -4.8912 -4.8912 -4.8526 -4.8526 -4.7315 -4.7315 -3.4187 -3.4187 -3.3343 -3.3343 3.8273 3.8273 4.3899 4.3899 4.8414 4.8414 6.3148 6.3148 6.6699 6.6699 6.8935 6.8935 8.1822 8.1822 8.5722 8.5722 9.5269 9.5269 11.6014 11.6014 11.7533 11.7533 11.9282 11.9282 k = 0.4151 0.2397-0.0000 ( 3618 PWs) bands (ev): -45.8033 -45.8033 -23.3721 -23.3721 -21.3269 -21.3269 -21.2108 -21.2108 -5.7156 -5.7156 -5.6635 -5.6635 -4.8903 -4.8903 -4.8531 -4.8531 -4.7293 -4.7293 -3.3925 -3.3925 -3.3200 -3.3200 3.8488 3.8488 4.3788 4.3788 4.8039 4.8039 6.3084 6.3084 6.7206 6.7206 6.8760 6.8760 8.1874 8.1874 8.5297 8.5297 9.4283 9.4283 11.6223 11.6223 11.7800 11.7800 11.9567 11.9567 k = 0.4245 0.2451-0.0000 ( 3622 PWs) bands (ev): -45.8030 -45.8030 -23.3732 -23.3732 -21.3292 -21.3292 -21.2110 -21.2110 -5.7156 -5.7156 -5.6631 -5.6631 -4.8895 -4.8895 -4.8535 -4.8535 -4.7273 -4.7273 -3.3685 -3.3685 -3.3069 -3.3069 3.8590 3.8590 4.3790 4.3790 4.7698 4.7698 6.3032 6.3032 6.7733 6.7733 6.8616 6.8616 8.1916 8.1916 8.4705 8.4705 9.3524 9.3524 11.6421 11.6421 11.8047 11.8047 11.9843 11.9843 k = 0.4340 0.2505-0.0000 ( 3620 PWs) bands (ev): -45.8027 -45.8027 -23.3742 -23.3742 -21.3313 -21.3313 -21.2111 -21.2111 -5.7155 -5.7155 -5.6628 -5.6628 -4.8888 -4.8888 -4.8538 -4.8538 -4.7254 -4.7254 -3.3470 -3.3470 -3.2952 -3.2952 3.8598 3.8598 4.3882 4.3882 4.7392 4.7392 6.2988 6.2988 6.8198 6.8198 6.8583 6.8583 8.1949 8.1949 8.3957 8.3957 9.2983 9.2983 11.6605 11.6605 11.8271 11.8271 12.0106 12.0106 k = 0.4434 0.2560-0.0000 ( 3616 PWs) bands (ev): -45.8024 -45.8024 -23.3751 -23.3751 -21.3330 -21.3330 -21.2112 -21.2112 -5.7155 -5.7155 -5.6625 -5.6625 -4.8881 -4.8881 -4.8540 -4.8540 -4.7238 -4.7238 -3.3281 -3.3281 -3.2848 -3.2848 3.8542 3.8542 4.4029 4.4029 4.7125 4.7125 6.2953 6.2953 6.8253 6.8253 6.9009 6.9009 8.1966 8.1966 8.3099 8.3099 9.2627 9.2627 11.6772 11.6772 11.8471 11.8471 12.0351 12.0351 k = 0.4528 0.2614-0.0000 ( 3608 PWs) bands (ev): -45.8021 -45.8021 -23.3758 -23.3758 -21.3346 -21.3346 -21.2113 -21.2113 -5.7155 -5.7155 -5.6622 -5.6622 -4.8876 -4.8876 -4.8542 -4.8542 -4.7224 -4.7224 -3.3119 -3.3119 -3.2759 -3.2759 3.8452 3.8452 4.4200 4.4200 4.6897 4.6897 6.2924 6.2924 6.8172 6.8172 6.9612 6.9612 8.1874 8.1874 8.2279 8.2279 9.2409 9.2409 11.6919 11.6919 11.8644 11.8644 12.0571 12.0571 k = 0.4623 0.2669-0.0000 ( 3616 PWs) bands (ev): -45.8020 -45.8020 -23.3764 -23.3764 -21.3358 -21.3358 -21.2113 -21.2113 -5.7155 -5.7155 -5.6621 -5.6621 -4.8872 -4.8872 -4.8544 -4.8544 -4.7213 -4.7213 -3.2985 -3.2985 -3.2685 -3.2685 3.8351 3.8351 4.4368 4.4368 4.6711 4.6711 6.2903 6.2903 6.8092 6.8092 7.0236 7.0236 8.1142 8.1142 8.2091 8.2091 9.2284 9.2284 11.7043 11.7043 11.8788 11.8788 12.0761 12.0761 k = 0.4717 0.2723-0.0000 ( 3636 PWs) bands (ev): -45.8021 -45.8021 -23.3770 -23.3770 -21.3368 -21.3368 -21.2114 -21.2114 -5.7156 -5.7156 -5.6621 -5.6621 -4.8870 -4.8870 -4.8547 -4.8547 -4.7206 -4.7206 -3.2880 -3.2880 -3.2627 -3.2627 3.8258 3.8258 4.4513 4.4513 4.6568 4.6568 6.2886 6.2886 6.8028 6.8028 7.0840 7.0840 8.0283 8.0283 8.2086 8.2086 9.2219 9.2219 11.7142 11.7142 11.8902 11.8902 12.0916 12.0916 k = 0.4811 0.2778-0.0000 ( 3640 PWs) bands (ev): -45.8020 -45.8020 -23.3773 -23.3773 -21.3375 -21.3375 -21.2114 -21.2114 -5.7156 -5.7156 -5.6620 -5.6620 -4.8869 -4.8869 -4.8548 -4.8548 -4.7200 -4.7200 -3.2805 -3.2805 -3.2584 -3.2584 3.8184 3.8184 4.4623 4.4623 4.6467 4.6467 6.2875 6.2875 6.7982 6.7982 7.1371 7.1371 7.9546 7.9546 8.2091 8.2091 9.2187 9.2187 11.7214 11.7214 11.8984 11.8984 12.1031 12.1031 k = 0.4906 0.2832-0.0000 ( 3634 PWs) bands (ev): -45.8019 -45.8019 -23.3775 -23.3775 -21.3380 -21.3380 -21.2114 -21.2114 -5.7156 -5.7156 -5.6619 -5.6619 -4.8867 -4.8867 -4.8548 -4.8548 -4.7195 -4.7195 -3.2760 -3.2760 -3.2558 -3.2558 3.8137 3.8137 4.4691 4.4691 4.6407 4.6407 6.2868 6.2868 6.7953 6.7953 7.1750 7.1750 7.9037 7.9037 8.2095 8.2095 9.2175 9.2175 11.7258 11.7258 11.9033 11.9033 12.1101 12.1101 k = 0.5000 0.2887-0.0000 ( 3636 PWs) bands (ev): -45.8019 -45.8019 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7156 -5.7156 -5.6619 -5.6619 -4.8867 -4.8867 -4.8548 -4.8548 -4.7194 -4.7194 -3.2745 -3.2745 -3.2550 -3.2550 3.8121 3.8121 4.4714 4.4714 4.6388 4.6388 6.2866 6.2866 6.7944 6.7944 7.1890 7.1890 7.8852 7.8852 8.2096 8.2096 9.2171 9.2171 11.7273 11.7273 11.9050 11.9050 12.1125 12.1125 k = 0.5000 0.2887-0.0000 ( 3636 PWs) bands (ev): -45.8019 -45.8019 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7156 -5.7156 -5.6619 -5.6619 -4.8867 -4.8867 -4.8548 -4.8548 -4.7194 -4.7194 -3.2745 -3.2745 -3.2550 -3.2550 3.8121 3.8121 4.4714 4.4714 4.6388 4.6388 6.2866 6.2866 6.7944 6.7944 7.1890 7.1890 7.8852 7.8852 8.2096 8.2096 9.2171 9.2171 11.7273 11.7273 11.9050 11.9050 12.1125 12.1125 k = 0.4946 0.2980-0.0000 ( 3632 PWs) bands (ev): -45.8019 -45.8019 -23.3780 -23.3772 -21.3386 -21.3376 -21.2116 -21.2115 -5.7155 -5.7155 -5.6619 -5.6619 -4.8866 -4.8866 -4.8548 -4.8548 -4.7195 -4.7195 -3.2749 -3.2734 -3.2547 -3.2546 3.8130 3.8142 4.4716 4.4722 4.6377 4.6406 6.2819 6.2891 6.7855 6.8009 7.1892 7.1904 7.8860 7.8864 8.1992 8.2045 9.2139 9.2272 11.7240 11.7319 11.9033 11.9110 12.1079 12.1187 k = 0.4892 0.3073-0.0000 ( 3636 PWs) bands (ev): -45.8019 -45.8019 -23.3784 -23.3769 -21.3390 -21.3370 -21.2120 -21.2117 -5.7153 -5.7153 -5.6618 -5.6618 -4.8866 -4.8865 -4.8547 -4.8547 -4.7199 -4.7199 -3.2745 -3.2715 -3.2539 -3.2538 3.8168 3.8193 4.4729 4.4741 4.6373 4.6432 6.2752 6.2893 6.7745 6.8050 7.1909 7.1934 7.8886 7.8893 8.1741 8.1844 9.2174 9.2434 11.7220 11.7376 11.9060 11.9211 12.1050 12.1264 k = 0.4839 0.3166-0.0000 ( 3636 PWs) bands (ev): -45.8019 -45.8019 -23.3789 -23.3765 -21.3393 -21.3363 -21.2125 -21.2121 -5.7150 -5.7150 -5.6617 -5.6617 -4.8864 -4.8863 -4.8545 -4.8545 -4.7205 -4.7205 -3.2732 -3.2688 -3.2525 -3.2523 3.8236 3.8272 4.4752 4.4770 4.6377 4.6466 6.2665 6.2872 6.7614 6.8067 7.1938 7.1978 7.8929 7.8933 8.1366 8.1511 9.2268 9.2644 11.7212 11.7440 11.9131 11.9353 12.1039 12.1357 k = 0.4785 0.3259-0.0000 ( 3630 PWs) bands (ev): -45.8018 -45.8018 -23.3794 -23.3762 -21.3395 -21.3355 -21.2132 -21.2127 -5.7145 -5.7145 -5.6615 -5.6615 -4.8861 -4.8860 -4.8542 -4.8542 -4.7213 -4.7213 -3.2712 -3.2654 -3.2505 -3.2504 3.8332 3.8382 4.4784 4.4809 4.6388 4.6507 6.2560 6.2826 6.7466 6.8060 7.1974 7.2033 7.8966 7.8976 8.0901 8.1083 9.2409 9.2888 11.7213 11.7505 11.9246 11.9534 12.1050 12.1466 k = 0.4731 0.3352-0.0000 ( 3628 PWs) bands (ev): -45.8017 -45.8017 -23.3799 -23.3760 -21.3397 -21.3347 -21.2141 -21.2136 -5.7139 -5.7139 -5.6613 -5.6613 -4.8858 -4.8857 -4.8538 -4.8538 -4.7224 -4.7223 -3.2685 -3.2613 -3.2480 -3.2478 3.8458 3.8520 4.4826 4.4859 4.6405 4.6555 6.2438 6.2756 6.7302 6.8028 7.2011 7.2092 7.8950 7.8996 8.0406 8.0630 9.2582 9.3150 11.7217 11.7564 11.9407 11.9752 12.1086 12.1594 k = 0.4677 0.3445-0.0000 ( 3632 PWs) bands (ev): -45.8017 -45.8017 -23.3804 -23.3758 -21.3398 -21.3338 -21.2152 -21.2146 -5.7133 -5.7133 -5.6611 -5.6611 -4.8855 -4.8853 -4.8534 -4.8533 -4.7237 -4.7237 -3.2650 -3.2565 -3.2449 -3.2448 3.8613 3.8688 4.4877 4.4919 4.6429 4.6608 6.2302 6.2661 6.7125 6.7973 7.2035 7.2145 7.8785 7.8884 8.0014 8.0281 9.2774 9.3419 11.7220 11.7608 11.9610 12.0004 12.1152 12.1742 k = 0.4624 0.3539-0.0000 ( 3636 PWs) bands (ev): -45.8016 -45.8016 -23.3810 -23.3756 -21.3399 -21.3328 -21.2164 -21.2158 -5.7126 -5.7126 -5.6609 -5.6609 -4.8851 -4.8849 -4.8529 -4.8528 -4.7253 -4.7252 -3.2608 -3.2512 -3.2413 -3.2412 3.8795 3.8884 4.4936 4.4989 4.6458 4.6668 6.2152 6.2542 6.6937 6.7895 7.2029 7.2176 7.8381 7.8509 7.9893 8.0161 9.2976 9.3687 11.7215 11.7629 11.9854 12.0287 12.1250 12.1911 k = 0.4570 0.3632-0.0000 ( 3632 PWs) bands (ev): -45.8015 -45.8015 -23.3816 -23.3754 -21.3399 -21.3318 -21.2178 -21.2171 -5.7117 -5.7117 -5.6606 -5.6605 -4.8846 -4.8844 -4.8523 -4.8522 -4.7270 -4.7269 -3.2560 -3.2453 -3.2373 -3.2368 3.9006 3.9109 4.5003 4.5068 4.6492 4.6732 6.1992 6.2400 6.6742 6.7795 7.1965 7.2158 7.7820 7.7974 7.9978 8.0229 9.3179 9.3948 11.7196 11.7623 12.0135 12.0599 12.1385 12.2102 k = 0.4516 0.3725-0.0000 ( 3630 PWs) bands (ev): -45.8014 -45.8014 -23.3822 -23.3753 -21.3399 -21.3307 -21.2192 -21.2187 -5.7108 -5.7108 -5.6602 -5.6602 -4.8840 -4.8837 -4.8516 -4.8515 -4.7289 -4.7288 -3.2505 -3.2393 -3.2328 -3.2316 3.9245 3.9362 4.5076 4.5156 4.6531 4.6801 6.1825 6.2237 6.6539 6.7674 7.1806 7.2050 7.7242 7.7442 8.0158 8.0399 9.3381 9.4200 11.7159 11.7584 12.0450 12.0937 12.1557 12.2311 k = 0.4462 0.3818-0.0000 ( 3636 PWs) bands (ev): -45.8013 -45.8013 -23.3828 -23.3752 -21.3399 -21.3295 -21.2208 -21.2203 -5.7099 -5.7098 -5.6598 -5.6598 -4.8834 -4.8831 -4.8508 -4.8507 -4.7311 -4.7310 -3.2445 -3.2332 -3.2279 -3.2255 3.9510 3.9642 4.5155 4.5253 4.6573 4.6872 6.1652 6.2054 6.6332 6.7532 7.1512 7.1801 7.6752 7.7004 8.0391 8.0629 9.3577 9.4441 11.7098 11.7509 12.0793 12.1294 12.1766 12.2527 k = 0.4409 0.3911-0.0000 ( 3636 PWs) bands (ev): -45.8012 -45.8012 -23.3834 -23.3752 -21.3398 -21.3283 -21.2225 -21.2222 -5.7089 -5.7088 -5.6594 -5.6594 -4.8827 -4.8824 -4.8499 -4.8498 -4.7334 -4.7333 -3.2379 -3.2272 -3.2227 -3.2184 3.9802 3.9950 4.5239 4.5359 4.6619 4.6944 6.1477 6.1855 6.6120 6.7369 7.1053 7.1366 7.6422 7.6714 8.0665 8.0902 9.3769 9.4671 11.7010 11.7399 12.1158 12.1664 12.2009 12.2708 k = 0.4355 0.4004-0.0000 ( 3636 PWs) bands (ev): -45.8011 -45.8011 -23.3840 -23.3751 -21.3396 -21.3271 -21.2242 -21.2241 -5.7078 -5.7078 -5.6589 -5.6589 -4.8819 -4.8816 -4.8490 -4.8489 -4.7358 -4.7358 -3.2309 -3.2213 -3.2170 -3.2104 4.0120 4.0285 4.5325 4.5472 4.6667 4.7017 6.1303 6.1645 6.5902 6.7181 7.0432 7.0737 7.6274 7.6584 8.0974 8.1212 9.3956 9.4892 11.6894 11.7253 12.1539 12.2030 12.2281 12.2682 k = 0.4301 0.4097-0.0000 ( 3628 PWs) bands (ev): -45.8009 -45.8009 -23.3846 -23.3751 -21.3395 -21.3257 -21.2262 -21.2261 -5.7068 -5.7067 -5.6583 -5.6583 -4.8811 -4.8808 -4.8479 -4.8478 -4.7384 -4.7383 -3.2235 -3.2153 -3.2110 -3.2018 4.0463 4.0646 4.5413 4.5592 4.6718 4.7089 6.1135 6.1427 6.5678 6.6965 6.9681 6.9946 7.6289 7.6597 8.1316 8.1555 9.4140 9.5104 11.6748 11.7075 12.1915 12.2130 12.2399 12.2532 k = 0.4247 0.4190-0.0000 ( 3630 PWs) bands (ev): -45.8008 -45.8008 -23.3853 -23.3752 -21.3393 -21.3244 -21.2284 -21.2279 -5.7057 -5.7057 -5.6578 -5.6578 -4.8803 -4.8799 -4.8467 -4.8466 -4.7412 -4.7411 -3.2159 -3.2092 -3.2047 -3.1928 4.0830 4.1032 4.5499 4.5718 4.6772 4.7158 6.0975 6.1207 6.5444 6.6706 6.8852 6.9044 7.6426 7.6720 8.1691 8.1929 9.4322 9.5310 11.6573 11.6865 12.1612 12.1690 12.2335 12.2812 k = 0.4194 0.4284-0.0000 ( 3638 PWs) bands (ev): -45.8007 -45.8007 -23.3859 -23.3752 -21.3391 -21.3230 -21.2307 -21.2298 -5.7048 -5.7047 -5.6573 -5.6573 -4.8794 -4.8791 -4.8455 -4.8454 -4.7441 -4.7440 -3.2082 -3.2030 -3.1980 -3.1834 4.1220 4.1443 4.5582 4.5850 4.6829 4.7222 6.0827 6.0989 6.5193 6.6369 6.8016 6.8077 7.6651 7.6927 8.2098 8.2333 9.4504 9.5511 11.6370 11.6626 12.1030 12.1063 12.2460 12.2733 k = 0.4140 0.4377-0.0000 ( 3640 PWs) bands (ev): -45.8006 -45.8006 -23.3865 -23.3753 -21.3389 -21.3216 -21.2330 -21.2316 -5.7038 -5.7038 -5.6567 -5.6567 -4.8785 -4.8781 -4.8442 -4.8441 -4.7471 -4.7470 -3.2004 -3.1967 -3.1909 -3.1738 4.1632 4.1878 4.5659 4.5987 4.6890 4.7280 6.0695 6.0779 6.4907 6.5873 6.7093 6.7280 7.6939 7.7195 8.2538 8.2766 9.4687 9.5709 11.6140 11.6362 12.0459 12.0460 12.1174 12.1208 k = 0.4086 0.4470-0.0000 ( 3638 PWs) bands (ev): -45.8005 -45.8005 -23.3871 -23.3754 -21.3388 -21.3201 -21.2353 -21.2335 -5.7029 -5.7028 -5.6560 -5.6560 -4.8776 -4.8772 -4.8428 -4.8427 -4.7501 -4.7500 -3.1929 -3.1904 -3.1834 -3.1640 4.2065 4.2336 4.5727 4.6129 4.6957 4.7331 6.0581 6.0582 6.4543 6.5144 6.6155 6.6740 7.7273 7.7507 8.3011 8.3228 9.4874 9.5903 11.5886 11.6072 11.9249 11.9273 11.9896 11.9922 k = 0.4032 0.4563-0.0000 ( 3627 PWs) bands (ev): -45.8002 -45.8002 -23.3877 -23.3755 -21.3386 -21.3187 -21.2377 -21.2353 -5.7019 -5.7018 -5.6553 -5.6553 -4.8766 -4.8761 -4.8412 -4.8411 -4.7531 -4.7530 -3.1856 -3.1842 -3.1755 -3.1542 4.2518 4.2816 4.5783 4.6274 4.7029 4.7372 6.0399 6.0488 6.4001 6.4242 6.5379 6.6351 7.7641 7.7854 8.3516 8.3719 9.5063 9.6093 11.5606 11.5753 11.7268 11.7339 11.9364 11.9413 k = 0.3978 0.4656-0.0000 ( 3631 PWs) bands (ev): -45.8001 -45.8001 -23.3883 -23.3756 -21.3385 -21.3173 -21.2401 -21.2370 -5.7011 -5.7010 -5.6547 -5.6547 -4.8757 -4.8752 -4.8396 -4.8395 -4.7563 -4.7562 -3.1787 -3.1780 -3.1673 -3.1444 4.2987 4.3315 4.5828 4.6422 4.7108 4.7404 6.0234 6.0416 6.3210 6.3268 6.4851 6.6027 7.8035 7.8225 8.4055 8.4237 9.5256 9.6276 11.5139 11.5186 11.5473 11.5653 11.8874 11.8944 k = 0.3925 0.4749-0.0000 ( 3627 PWs) bands (ev): -45.8000 -45.8000 -23.3889 -23.3758 -21.3383 -21.3159 -21.2424 -21.2386 -5.7003 -5.7002 -5.6541 -5.6540 -4.8747 -4.8742 -4.8379 -4.8378 -4.7595 -4.7594 -3.1721 -3.1719 -3.1591 -3.1348 4.3469 4.3833 4.5860 4.6573 4.7194 4.7425 6.0082 6.0359 6.2275 6.2281 6.4482 6.5728 7.8449 7.8615 8.4626 8.4782 9.5452 9.6448 11.3321 11.3442 11.5051 11.5172 11.8426 11.8513 k = 0.3871 0.4842-0.0000 ( 3623 PWs) bands (ev): -45.7998 -45.7998 -23.3894 -23.3759 -21.3382 -21.3145 -21.2447 -21.2402 -5.6995 -5.6995 -5.6534 -5.6534 -4.8737 -4.8732 -4.8362 -4.8361 -4.7626 -4.7624 -3.1660 -3.1659 -3.1509 -3.1255 4.3962 4.4366 4.5881 4.6726 4.7286 4.7436 5.9915 6.0285 6.1331 6.1342 6.4176 6.5436 7.8876 7.9018 8.5229 8.5352 9.5647 9.6602 11.1430 11.1614 11.4737 11.4823 11.8020 11.8124 k = 0.3817 0.4935-0.0000 ( 3623 PWs) bands (ev): -45.7997 -45.7997 -23.3899 -23.3761 -21.3382 -21.3132 -21.2469 -21.2416 -5.6989 -5.6989 -5.6528 -5.6527 -4.8728 -4.8723 -4.8344 -4.8343 -4.7656 -4.7655 -3.1603 -3.1599 -3.1429 -3.1165 4.4455 4.4908 4.5899 4.6883 4.7382 4.7437 5.9592 5.9949 6.0565 6.0710 6.3894 6.5145 7.9312 7.9429 8.5865 8.5944 9.5838 9.6726 10.9589 10.9850 11.4426 11.4481 11.7657 11.7775 k = 0.3763 0.5029-0.0000 ( 3627 PWs) bands (ev): -45.7996 -45.7996 -23.3904 -23.3762 -21.3381 -21.3119 -21.2490 -21.2429 -5.6984 -5.6983 -5.6523 -5.6522 -4.8720 -4.8715 -4.8326 -4.8326 -4.7686 -4.7685 -3.1550 -3.1544 -3.1353 -3.1080 4.4929 4.5452 4.5929 4.7047 4.7433 4.7482 5.8874 5.9143 6.0240 6.0606 6.3621 6.4854 7.9752 7.9844 8.6530 8.6555 9.6018 9.6802 10.7815 10.8178 11.4122 11.4147 11.7338 11.7466 k = 0.3710 0.5122-0.0000 ( 3627 PWs) bands (ev): -45.7995 -45.7995 -23.3908 -23.3764 -21.3381 -21.3108 -21.2509 -21.2441 -5.6979 -5.6978 -5.6517 -5.6517 -4.8712 -4.8707 -4.8309 -4.8308 -4.7715 -4.7714 -3.1501 -3.1493 -3.1281 -3.1001 4.5326 4.5979 4.6030 4.7213 4.7441 4.7581 5.7962 5.8251 6.0168 6.0656 6.3351 6.4561 8.0192 8.0259 8.7179 8.7222 9.6180 9.6804 10.6124 10.6631 11.3824 11.3829 11.7062 11.7198 k = 0.3656 0.5215-0.0000 ( 3627 PWs) bands (ev): -45.7994 -45.7994 -23.3912 -23.3765 -21.3382 -21.3097 -21.2527 -21.2451 -5.6975 -5.6974 -5.6513 -5.6512 -4.8705 -4.8700 -4.8291 -4.8291 -4.7742 -4.7740 -3.1456 -3.1447 -3.1215 -3.0928 4.5532 4.6308 4.6454 4.7310 4.7565 4.7679 5.7028 5.7386 6.0187 6.0758 6.3084 6.4267 8.0624 8.0666 8.7807 8.7940 9.6310 9.6693 10.4544 10.5252 11.3519 11.3554 11.6827 11.6970 k = 0.3602 0.5308-0.0000 ( 3627 PWs) bands (ev): -45.7993 -45.7993 -23.3915 -23.3767 -21.3382 -21.3088 -21.2542 -21.2460 -5.6971 -5.6971 -5.6508 -5.6508 -4.8699 -4.8694 -4.8275 -4.8275 -4.7766 -4.7765 -3.1416 -3.1407 -3.1156 -3.0864 4.5584 4.6719 4.6823 4.7308 4.7773 4.7884 5.6120 5.6576 6.0257 6.0895 6.2818 6.3975 8.1042 8.1060 8.8425 8.8677 9.6387 9.6426 10.3111 10.4095 11.3240 11.3304 11.6634 11.6781 k = 0.3548 0.5401-0.0000 ( 3631 PWs) bands (ev): -45.7993 -45.7993 -23.3918 -23.3768 -21.3383 -21.3081 -21.2555 -21.2467 -5.6969 -5.6968 -5.6505 -5.6505 -4.8694 -4.8688 -4.8261 -4.8260 -4.7787 -4.7786 -3.1383 -3.1372 -3.1105 -3.0809 4.5583 4.7064 4.7150 4.7289 4.7861 4.8328 5.5261 5.5845 6.0367 6.1059 6.2557 6.3688 8.1431 8.1435 8.9013 8.9426 9.5968 9.6387 10.1879 10.3204 11.2995 11.3085 11.6481 11.6631 k = 0.3495 0.5494-0.0000 ( 3627 PWs) bands (ev): -45.7992 -45.7992 -23.3921 -23.3769 -21.3383 -21.3075 -21.2566 -21.2472 -5.6966 -5.6965 -5.6503 -5.6502 -4.8689 -4.8683 -4.8249 -4.8248 -4.7805 -4.7803 -3.1355 -3.1344 -3.1064 -3.0764 4.5567 4.7192 4.7292 4.7543 4.7940 4.8825 5.4477 5.5219 6.0505 6.1240 6.2304 6.3413 8.1765 8.1789 8.9538 9.0173 9.5331 9.6286 10.0911 10.2590 11.2792 11.2906 11.6366 11.6517 k = 0.3441 0.5587-0.0000 ( 3615 PWs) bands (ev): -45.7991 -45.7990 -23.3922 -23.3770 -21.3384 -21.3070 -21.2573 -21.2476 -5.6964 -5.6963 -5.6500 -5.6499 -4.8685 -4.8679 -4.8239 -4.8238 -4.7816 -4.7815 -3.1335 -3.1324 -3.1033 -3.0731 4.5548 4.7205 4.7359 4.7854 4.8010 4.9299 5.3808 5.4731 6.0659 6.1422 6.2071 6.3164 8.2042 8.2083 8.9953 9.0893 9.4589 9.6098 10.0257 10.2219 11.2640 11.2771 11.6287 11.6438 k = 0.3387 0.5680-0.0000 ( 3609 PWs) bands (ev): -45.7990 -45.7989 -23.3923 -23.3770 -21.3384 -21.3068 -21.2577 -21.2478 -5.6963 -5.6962 -5.6498 -5.6497 -4.8683 -4.8677 -4.8233 -4.8233 -4.7824 -4.7822 -3.1322 -3.1311 -3.1014 -3.0710 4.5535 4.7193 4.7416 4.8033 4.8080 4.9660 5.3329 5.4419 6.0799 6.1576 6.1884 6.2972 8.2236 8.2288 9.0210 9.1509 9.3900 9.5909 9.9908 10.2031 11.2545 11.2687 11.6242 11.6393 k = 0.3333 0.5774-0.0000 ( 3621 PWs) bands (ev): -45.7991 -45.7990 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6963 -5.6963 -5.6498 -5.6498 -4.8682 -4.8677 -4.8232 -4.8232 -4.7827 -4.7826 -3.1318 -3.1307 -3.1007 -3.0703 4.5529 4.7187 4.7437 4.8080 4.8120 4.9799 5.3151 5.4312 6.0864 6.1641 6.1804 6.2893 8.2309 8.2366 9.0288 9.1788 9.3580 9.5831 9.9805 10.1977 11.2512 11.2659 11.6227 11.6378 k = 0.3333 0.5774-0.0000 ( 3621 PWs) bands (ev): -45.7991 -45.7990 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6963 -5.6963 -5.6498 -5.6498 -4.8682 -4.8677 -4.8232 -4.8232 -4.7827 -4.7826 -3.1318 -3.1307 -3.1007 -3.0703 4.5529 4.7187 4.7437 4.8080 4.8120 4.9799 5.3151 5.4312 6.0864 6.1641 6.1804 6.2893 8.2309 8.2366 9.0288 9.1788 9.3580 9.5831 9.9805 10.1977 11.2512 11.2659 11.6227 11.6378 k = 0.3279 0.5679-0.0000 ( 3613 PWs) bands (ev): -45.7990 -45.7990 -23.3923 -23.3770 -21.3384 -21.3068 -21.2577 -21.2478 -5.6963 -5.6962 -5.6498 -5.6497 -4.8683 -4.8677 -4.8233 -4.8233 -4.7824 -4.7823 -3.1323 -3.1311 -3.1014 -3.0711 4.5535 4.7194 4.7412 4.7986 4.8129 4.9667 5.3327 5.4418 6.0790 6.1568 6.1893 6.2979 8.2219 8.2272 9.0239 9.1566 9.3864 9.5907 9.9899 10.2027 11.2546 11.2689 11.6241 11.6392 k = 0.3224 0.5584-0.0000 ( 3621 PWs) bands (ev): -45.7991 -45.7991 -23.3922 -23.3770 -21.3384 -21.3070 -21.2573 -21.2476 -5.6964 -5.6964 -5.6500 -5.6499 -4.8686 -4.8680 -4.8239 -4.8238 -4.7817 -4.7816 -3.1337 -3.1326 -3.1037 -3.0734 4.5553 4.7209 4.7332 4.7750 4.8134 4.9361 5.3775 5.4713 6.0613 6.1384 6.2115 6.3202 8.1929 8.1969 9.0171 9.1231 9.4407 9.6085 10.0171 10.2178 11.2647 11.2778 11.6280 11.6432 k = 0.3169 0.5490-0.0000 ( 3633 PWs) bands (ev): -45.7993 -45.7992 -23.3920 -23.3769 -21.3382 -21.3073 -21.2567 -21.2473 -5.6966 -5.6966 -5.6503 -5.6502 -4.8690 -4.8685 -4.8247 -4.8246 -4.7807 -4.7806 -3.1361 -3.1350 -3.1075 -3.0775 4.5580 4.7119 4.7293 4.7429 4.8123 4.9017 5.4377 5.5153 6.0394 6.1145 6.2409 6.3505 8.1430 8.1453 9.0174 9.1033 9.4964 9.6285 10.0620 10.2439 11.2811 11.2925 11.6340 11.6494 k = 0.3115 0.5395-0.0000 ( 3633 PWs) bands (ev): -45.7993 -45.7993 -23.3917 -23.3767 -21.3379 -21.3076 -21.2558 -21.2468 -5.6968 -5.6968 -5.6506 -5.6505 -4.8696 -4.8691 -4.8256 -4.8255 -4.7794 -4.7792 -3.1396 -3.1386 -3.1130 -3.0834 4.5607 4.6854 4.7077 4.7355 4.8094 4.8717 5.5061 5.5699 6.0162 6.0883 6.2744 6.3855 8.0747 8.0752 9.0280 9.1012 9.5458 9.6456 10.1239 10.2827 11.3031 11.3123 11.6417 11.6574 k = 0.3060 0.5300-0.0000 ( 3633 PWs) bands (ev): -45.7994 -45.7994 -23.3914 -23.3765 -21.3376 -21.3080 -21.2547 -21.2463 -5.6970 -5.6970 -5.6510 -5.6509 -4.8704 -4.8698 -4.8265 -4.8264 -4.7778 -4.7777 -3.1441 -3.1432 -3.1202 -3.0911 4.5607 4.6491 4.6747 4.7451 4.8047 4.8485 5.5790 5.6318 5.9932 6.0614 6.3108 6.4237 7.9915 7.9924 9.0472 9.1139 9.5868 9.6596 10.2009 10.3357 11.3298 11.3367 11.6506 11.6668 k = 0.3005 0.5206-0.0000 ( 3635 PWs) bands (ev): -45.7996 -45.7995 -23.3909 -23.3762 -21.3371 -21.3083 -21.2535 -21.2456 -5.6973 -5.6973 -5.6514 -5.6514 -4.8713 -4.8708 -4.8274 -4.8274 -4.7761 -4.7760 -3.1497 -3.1490 -3.1293 -3.1008 4.5518 4.6067 4.6521 4.7576 4.7987 4.8306 5.6538 5.6989 5.9717 6.0347 6.3493 6.4641 7.8991 7.9012 9.0710 9.1359 9.6206 9.6729 10.2900 10.4029 11.3602 11.3647 11.6600 11.6770 k = 0.2951 0.5111-0.0000 ( 3635 PWs) bands (ev): -45.7997 -45.7997 -23.3903 -23.3758 -21.3364 -21.3086 -21.2521 -21.2448 -5.6976 -5.6976 -5.6520 -5.6519 -4.8724 -4.8719 -4.8283 -4.8282 -4.7745 -4.7744 -3.1564 -3.1560 -3.1400 -3.1124 4.5286 4.5611 4.6459 4.7731 4.7918 4.8159 5.7280 5.7693 5.9538 6.0089 6.3896 6.5063 7.8021 7.8053 9.0945 9.1614 9.6509 9.6899 10.3886 10.4832 11.3930 11.3953 11.6695 11.6875 k = 0.2896 0.5016-0.0000 ( 3633 PWs) bands (ev): -45.7999 -45.7998 -23.3896 -23.3754 -21.3357 -21.3087 -21.2506 -21.2440 -5.6980 -5.6979 -5.6525 -5.6524 -4.8737 -4.8731 -4.8291 -4.8290 -4.7728 -4.7727 -3.1644 -3.1643 -3.1525 -3.1260 4.4951 4.5143 4.6521 4.7851 4.7910 4.8037 5.7952 5.8411 5.9453 5.9853 6.4311 6.5499 7.7037 7.7077 9.1134 9.1849 9.6831 9.7147 10.4946 10.5746 11.4269 11.4276 11.6784 11.6975 k = 0.2842 0.4922-0.0000 ( 3637 PWs) bands (ev): -45.8001 -45.8001 -23.3889 -23.3749 -21.3347 -21.3088 -21.2491 -21.2431 -5.6984 -5.6983 -5.6532 -5.6531 -4.8751 -4.8745 -4.8298 -4.8298 -4.7712 -4.7711 -3.1749 -3.1733 -3.1660 -3.1416 4.4570 4.4669 4.6638 4.7803 4.7896 4.8151 5.8369 5.9062 5.9645 5.9715 6.4738 6.5946 7.6058 7.6107 9.1241 9.2014 9.7225 9.7511 10.6061 10.6749 11.4604 11.4607 11.6860 11.7065 k = 0.2787 0.4827-0.0000 ( 3629 PWs) bands (ev): -45.8003 -45.8002 -23.3880 -23.3743 -21.3336 -21.3088 -21.2474 -21.2421 -5.6988 -5.6987 -5.6538 -5.6538 -4.8765 -4.8760 -4.8304 -4.8303 -4.7697 -4.7696 -3.1887 -3.1834 -3.1792 -3.1593 4.4166 4.4193 4.6763 4.7787 4.7804 4.8402 5.8424 5.9197 6.0117 6.0220 6.5174 6.6403 7.5100 7.5158 9.1252 9.2082 9.7730 9.8007 10.7219 10.7823 11.4926 11.4930 11.6916 11.7138 k = 0.2732 0.4732-0.0000 ( 3633 PWs) bands (ev): -45.8005 -45.8005 -23.3870 -23.3737 -21.3323 -21.3086 -21.2458 -21.2410 -5.6992 -5.6992 -5.6546 -5.6546 -4.8781 -4.8776 -4.8309 -4.8309 -4.7684 -4.7683 -3.2063 -3.1947 -3.1917 -3.1789 4.3711 4.3743 4.6855 4.7688 4.7891 4.8691 5.8322 5.9023 6.0851 6.0971 6.5615 6.6866 7.4173 7.4241 9.1170 9.2047 9.8362 9.8637 10.8409 10.8947 11.5224 11.5231 11.6947 11.7186 k = 0.2678 0.4638-0.0000 ( 3631 PWs) bands (ev): -45.8008 -45.8008 -23.3859 -23.3730 -21.3308 -21.3082 -21.2440 -21.2400 -5.6997 -5.6997 -5.6554 -5.6554 -4.8798 -4.8793 -4.8313 -4.8313 -4.7672 -4.7671 -3.2266 -3.2070 -3.2047 -3.2006 4.3219 4.3300 4.6901 4.7606 4.8083 4.9014 5.8183 5.8823 6.1630 6.1777 6.6061 6.7333 7.3283 7.3362 9.1011 9.1924 9.9117 9.9389 10.9621 11.0107 11.5475 11.5506 11.6947 11.7202 k = 0.2623 0.4543-0.0000 ( 3625 PWs) bands (ev): -45.8010 -45.8010 -23.3848 -23.3721 -21.3292 -21.3077 -21.2423 -21.2388 -5.7002 -5.7002 -5.6562 -5.6562 -4.8816 -4.8811 -4.8316 -4.8316 -4.7662 -4.7660 -3.2491 -3.2243 -3.2204 -3.2184 4.2712 4.2831 4.6921 4.7548 4.8366 4.9371 5.8039 5.8630 6.2421 6.2604 6.6510 6.7802 7.2436 7.2527 9.0794 9.1733 9.9980 10.0248 11.0841 11.1283 11.5668 11.5740 11.6914 11.7183 k = 0.2568 0.4448-0.0000 ( 3625 PWs) bands (ev): -45.8014 -45.8014 -23.3835 -23.3713 -21.3273 -21.3070 -21.2405 -21.2377 -5.7008 -5.7007 -5.6571 -5.6570 -4.8834 -4.8829 -4.8319 -4.8318 -4.7654 -4.7653 -3.2735 -3.2498 -3.2349 -3.2331 4.2183 4.2329 4.6946 4.7522 4.8719 4.9762 5.7904 5.8448 6.3213 6.3438 6.6957 6.8267 7.1634 7.1741 9.0538 9.1496 10.0936 10.1200 11.2054 11.2453 11.5788 11.5919 11.6848 11.7123 k = 0.2514 0.4354-0.0000 ( 3621 PWs) bands (ev): -45.8017 -45.8017 -23.3821 -23.3703 -21.3252 -21.3061 -21.2387 -21.2365 -5.7013 -5.7013 -5.6580 -5.6579 -4.8852 -4.8847 -4.8321 -4.8320 -4.7647 -4.7646 -3.2998 -3.2771 -3.2504 -3.2487 4.1627 4.1792 4.6997 4.7533 4.9126 5.0185 5.7783 5.8282 6.4000 6.4270 6.7399 6.8718 7.0881 7.1015 9.0260 9.1232 10.1973 10.2231 11.3238 11.3583 11.5823 11.6028 11.6756 11.7023 k = 0.2459 0.4259-0.0000 ( 3621 PWs) bands (ev): -45.8021 -45.8021 -23.3806 -23.3692 -21.3230 -21.3050 -21.2370 -21.2353 -5.7019 -5.7019 -5.6589 -5.6589 -4.8871 -4.8866 -4.8322 -4.8322 -4.7644 -4.7643 -3.3278 -3.3062 -3.2669 -3.2653 4.1042 4.1216 4.7087 4.7589 4.9578 5.0639 5.7681 5.8133 6.4774 6.5093 6.7826 6.9113 7.0189 7.0392 8.9972 9.0956 10.3081 10.3332 11.4359 11.4600 11.5780 11.6054 11.6659 11.6884 k = 0.2404 0.4164-0.0000 ( 3615 PWs) bands (ev): -45.8024 -45.8024 -23.3790 -23.3681 -21.3206 -21.3038 -21.2352 -21.2341 -5.7026 -5.7025 -5.6598 -5.6598 -4.8889 -4.8884 -4.8323 -4.8322 -4.7641 -4.7640 -3.3575 -3.3370 -3.2843 -3.2828 4.0426 4.0603 4.7223 4.7692 5.0068 5.1120 5.7601 5.8003 6.5522 6.5894 6.8202 6.9214 6.9599 7.0119 8.9685 9.0679 10.4253 10.4496 11.5247 11.5361 11.5768 11.5986 11.6654 11.6722 k = 0.2350 0.4070-0.0000 ( 3611 PWs) bands (ev): -45.8028 -45.8028 -23.3774 -23.3668 -21.3180 -21.3023 -21.2334 -21.2328 -5.7032 -5.7032 -5.6608 -5.6607 -4.8908 -4.8903 -4.8323 -4.8323 -4.7642 -4.7641 -3.3888 -3.3693 -3.3026 -3.3012 3.9779 3.9953 4.7410 4.7845 5.0591 5.1624 5.7549 5.7894 6.6208 6.6633 6.8371 6.8852 6.9298 7.0390 8.9406 9.0409 10.5481 10.5717 11.5194 11.5818 11.5820 11.6089 11.6641 11.6989 k = 0.2295 0.3975-0.0000 ( 3611 PWs) bands (ev): -45.8033 -45.8033 -23.3756 -23.3655 -21.3152 -21.3007 -21.2316 -21.2315 -5.7039 -5.7039 -5.6618 -5.6617 -4.8927 -4.8922 -4.8323 -4.8323 -4.7645 -4.7644 -3.4215 -3.4031 -3.3217 -3.3204 3.9103 3.9270 4.7648 4.8050 5.1144 5.2146 5.7529 5.7810 6.6721 6.7128 6.8302 6.8522 6.9494 7.0815 8.9143 9.0152 10.6762 10.6991 11.4902 11.5561 11.5655 11.6110 11.7031 11.7465 k = 0.2240 0.3881-0.0000 ( 3603 PWs) bands (ev): -45.8037 -45.8037 -23.3738 -23.3641 -21.3122 -21.2989 -21.2302 -21.2298 -5.7046 -5.7046 -5.6627 -5.6627 -4.8945 -4.8940 -4.8323 -4.8323 -4.7650 -4.7649 -3.4556 -3.4382 -3.3416 -3.3403 3.8399 3.8557 4.7939 4.8307 5.1721 5.2677 5.7550 5.7752 6.6797 6.6987 6.8605 6.8672 6.9890 7.1271 8.8899 8.9915 10.8090 10.8311 11.4534 11.5229 11.5400 11.5875 11.7444 11.7819 k = 0.2186 0.3786-0.0000 ( 3607 PWs) bands (ev): -45.8042 -45.8042 -23.3718 -23.3626 -21.3091 -21.2969 -21.2289 -21.2280 -5.7054 -5.7053 -5.6638 -5.6638 -4.8964 -4.8960 -4.8324 -4.8323 -4.7657 -4.7656 -3.4908 -3.4745 -3.3621 -3.3610 3.7672 3.7820 4.8280 4.8615 5.2314 5.3205 5.7623 5.7728 6.6456 6.6514 6.9096 6.9312 7.0348 7.1734 8.8678 8.9699 10.9460 10.9672 11.4128 11.4849 11.5116 11.5601 11.7700 11.8026 k = 0.2131 0.3691-0.0000 ( 3611 PWs) bands (ev): -45.8048 -45.8048 -23.3699 -23.3611 -21.3059 -21.2947 -21.2276 -21.2262 -5.7062 -5.7061 -5.6649 -5.6649 -4.8984 -4.8979 -4.8324 -4.8324 -4.7666 -4.7665 -3.5272 -3.5119 -3.3833 -3.3822 3.6926 3.7062 4.8671 4.8974 5.2915 5.3713 5.7745 5.7764 6.5967 6.5973 6.9724 6.9964 7.0853 7.2199 8.8484 8.9508 11.0859 11.1058 11.3707 11.4452 11.4828 11.5315 11.7830 11.8121 k = 0.2077 0.3597-0.0000 ( 3609 PWs) bands (ev): -45.8053 -45.8053 -23.3678 -23.3595 -21.3025 -21.2924 -21.2262 -21.2243 -5.7070 -5.7069 -5.6660 -5.6660 -4.9003 -4.8998 -4.8324 -4.8324 -4.7677 -4.7676 -3.5645 -3.5502 -3.4051 -3.4041 3.6164 3.6289 4.9109 4.9381 5.3508 5.4183 5.7815 5.7991 6.5415 6.5434 7.0381 7.0557 7.1417 7.2664 8.8318 8.9343 11.2246 11.2406 11.3303 11.4110 11.4572 11.5039 11.7870 11.8137 k = 0.2022 0.3502-0.0000 ( 3609 PWs) bands (ev): -45.8059 -45.8058 -23.3656 -23.3578 -21.2989 -21.2900 -21.2248 -21.2225 -5.7078 -5.7078 -5.6671 -5.6671 -4.9022 -4.9018 -4.8325 -4.8324 -4.7688 -4.7688 -3.6026 -3.5892 -3.4274 -3.4264 3.5390 3.5504 4.9593 4.9834 5.4075 5.4593 5.7956 5.8322 6.4854 6.4888 7.1031 7.1078 7.2035 7.3129 8.8182 8.9205 11.2816 11.3176 11.3509 11.4248 11.4571 11.4906 11.7846 11.8104 k = 0.1967 0.3407-0.0000 ( 3605 PWs) bands (ev): -45.8064 -45.8064 -23.3634 -23.3561 -21.2953 -21.2874 -21.2233 -21.2207 -5.7087 -5.7087 -5.6682 -5.6682 -4.9042 -4.9037 -4.8326 -4.8325 -4.7701 -4.7701 -3.6414 -3.6290 -3.4500 -3.4491 3.4609 3.4712 5.0120 5.0332 5.4591 5.4933 5.8190 5.8768 6.4291 6.4338 7.1544 7.1662 7.2680 7.3593 8.8077 8.9095 11.2461 11.2974 11.3661 11.4302 11.5591 11.5888 11.7778 11.8056 k = 0.1913 0.3313-0.0000 ( 3601 PWs) bands (ev): -45.8070 -45.8069 -23.3612 -23.3543 -21.2916 -21.2847 -21.2218 -21.2188 -5.7096 -5.7095 -5.6693 -5.6693 -4.9062 -4.9057 -4.8327 -4.8327 -4.7715 -4.7714 -3.6807 -3.6692 -3.4731 -3.4722 3.3823 3.3916 5.0687 5.0870 5.5032 5.5203 5.8538 5.9326 6.3729 6.3787 7.1975 7.2266 7.3326 7.4055 8.8004 8.9013 11.2117 11.2635 11.3443 11.4050 11.6886 11.7335 11.7726 11.8142 k = 0.1858 0.3218-0.0000 ( 3613 PWs) bands (ev): -45.8077 -45.8077 -23.3589 -23.3524 -21.2879 -21.2820 -21.2203 -21.2169 -5.7106 -5.7106 -5.6705 -5.6705 -4.9083 -4.9079 -4.8330 -4.8330 -4.7730 -4.7729 -3.7204 -3.7098 -3.4964 -3.4956 3.3037 3.3121 5.1291 5.1447 5.5385 5.5416 5.9007 5.9982 6.3167 6.3242 7.2384 7.2838 7.3955 7.4513 8.7965 8.8960 11.1812 11.2305 11.3188 11.3783 11.7397 11.7505 11.9014 11.9075 k = 0.1803 0.3123-0.0000 ( 3615 PWs) bands (ev): -45.8083 -45.8083 -23.3566 -23.3505 -21.2841 -21.2791 -21.2186 -21.2149 -5.7116 -5.7116 -5.6717 -5.6717 -4.9104 -4.9100 -4.8334 -4.8333 -4.7744 -4.7743 -3.7604 -3.7506 -3.5199 -3.5192 3.2253 3.2329 5.1927 5.2058 5.5588 5.5657 5.9583 6.0718 6.2607 6.2711 7.2777 7.3376 7.4554 7.4966 8.7959 8.8935 11.1554 11.2009 11.2937 11.3523 11.7331 11.7356 12.0611 12.0649 k = 0.1749 0.3029-0.0000 ( 3615 PWs) bands (ev): -45.8089 -45.8089 -23.3542 -23.3486 -21.2804 -21.2762 -21.2169 -21.2129 -5.7126 -5.7126 -5.6729 -5.6729 -4.9126 -4.9121 -4.8338 -4.8338 -4.7758 -4.7758 -3.8004 -3.7915 -3.5436 -3.5429 3.1475 3.1542 5.2592 5.2697 5.5737 5.5868 6.0213 6.1510 6.2055 6.2224 7.3158 7.3879 7.5115 7.5408 8.7991 8.8940 11.1347 11.1756 11.2699 11.3277 11.7166 11.7185 12.2262 12.2319 k = 0.1694 0.2934-0.0000 ( 3619 PWs) bands (ev): -45.8096 -45.8096 -23.3519 -23.3466 -21.2766 -21.2733 -21.2150 -21.2108 -5.7136 -5.7136 -5.6742 -5.6742 -4.9148 -4.9144 -4.8344 -4.8344 -4.7772 -4.7771 -3.8405 -3.8323 -3.5673 -3.5667 3.0704 3.0765 5.3277 5.3356 5.5878 5.6043 6.0717 6.1474 6.1942 6.2383 7.3530 7.4350 7.5631 7.5835 8.8060 8.8977 11.1192 11.1551 11.2481 11.3050 11.6970 11.7004 12.3937 12.3982 k = 0.1639 0.2839-0.0000 ( 3623 PWs) bands (ev): -45.8103 -45.8103 -23.3495 -23.3447 -21.2730 -21.2704 -21.2131 -21.2086 -5.7148 -5.7147 -5.6754 -5.6754 -4.9172 -4.9167 -4.8351 -4.8351 -4.7784 -4.7784 -3.8803 -3.8730 -3.5910 -3.5904 2.9945 2.9998 5.3970 5.4019 5.6030 5.6209 6.0645 6.0923 6.2295 6.3272 7.3895 7.4789 7.6095 7.6241 8.8169 8.9046 11.1093 11.1396 11.2284 11.2842 11.6760 11.6816 12.5295 12.5334 k = 0.1585 0.2745-0.0000 ( 3619 PWs) bands (ev): -45.8109 -45.8109 -23.3470 -23.3426 -21.2694 -21.2675 -21.2109 -21.2064 -5.7158 -5.7158 -5.6767 -5.6767 -4.9196 -4.9192 -4.8360 -4.8360 -4.7795 -4.7795 -3.9199 -3.9132 -3.6146 -3.6141 2.9197 2.9245 5.4641 5.4653 5.6227 5.6399 6.0212 6.0374 6.3057 6.4196 7.4252 7.5198 7.6503 7.6620 8.8320 8.9150 11.1047 11.1292 11.2112 11.2657 11.6544 11.6627 12.5500 12.5538 k = 0.1530 0.2650-0.0000 ( 3615 PWs) bands (ev): -45.8115 -45.8115 -23.3446 -23.3406 -21.2659 -21.2647 -21.2086 -21.2040 -5.7170 -5.7169 -5.6780 -5.6780 -4.9221 -4.9217 -4.8370 -4.8370 -4.7805 -4.7804 -3.9591 -3.9531 -3.6381 -3.6376 2.8464 2.8506 5.5190 5.5234 5.6532 5.6674 5.9710 5.9838 6.3932 6.5147 7.4605 7.5578 7.6851 7.6969 8.8515 8.9291 11.1055 11.1237 11.1966 11.2495 11.6328 11.6442 12.5411 12.5434 k = 0.1475 0.2555-0.0000 ( 3613 PWs) bands (ev): -45.8122 -45.8122 -23.3422 -23.3386 -21.2627 -21.2620 -21.2062 -21.2015 -5.7181 -5.7181 -5.6793 -5.6793 -4.9247 -4.9243 -4.8383 -4.8382 -4.7812 -4.7812 -3.9977 -3.9923 -3.6614 -3.6610 2.7747 2.7784 5.5555 5.5664 5.7006 5.7108 5.9208 5.9328 6.4854 6.6119 7.4954 7.5927 7.7135 7.7288 8.8753 8.9469 11.1111 11.1231 11.1849 11.2359 11.6115 11.6264 12.5262 12.5274 k = 0.1421 0.2461-0.0000 ( 3633 PWs) bands (ev): -45.8130 -45.8130 -23.3399 -23.3365 -21.2596 -21.2593 -21.2035 -21.1989 -5.7194 -5.7194 -5.6808 -5.6808 -4.9276 -4.9272 -4.8398 -4.8398 -4.7819 -4.7819 -4.0356 -4.0308 -3.6844 -3.6840 2.7048 2.7080 5.5768 5.5921 5.7565 5.7645 5.8784 5.8908 6.5802 6.7107 7.5299 7.6242 7.7357 7.7580 8.9034 8.9686 11.1212 11.1270 11.1765 11.2250 11.5910 11.6097 12.5078 12.5082 k = 0.1366 0.2366-0.0000 ( 3631 PWs) bands (ev): -45.8136 -45.8136 -23.3375 -23.3345 -21.2568 -21.2567 -21.2007 -21.1962 -5.7206 -5.7206 -5.6821 -5.6821 -4.9305 -4.9301 -4.8413 -4.8413 -4.7823 -4.7822 -4.0728 -4.0685 -3.7071 -3.7068 2.6367 2.6396 5.5895 5.6074 5.7802 5.7804 5.8862 5.8918 6.6768 6.8106 7.5642 7.6516 7.7516 7.7853 8.9356 8.9940 11.1346 11.1350 11.1721 11.2170 11.5717 11.5945 12.4863 12.4868 k = 0.1311 0.2272-0.0000 ( 3631 PWs) bands (ev): -45.8143 -45.8143 -23.3352 -23.3325 -21.2544 -21.2540 -21.1977 -21.1933 -5.7219 -5.7219 -5.6835 -5.6835 -4.9335 -4.9332 -4.8430 -4.8430 -4.7824 -4.7824 -4.1090 -4.1053 -3.7294 -3.7291 2.5707 2.5732 5.5968 5.6169 5.7425 5.7506 5.9540 5.9548 6.7742 6.9111 7.5984 7.6739 7.7618 7.8119 8.9715 9.0230 11.1466 11.1482 11.1745 11.2120 11.5540 11.5813 12.4623 12.4634 k = 0.1257 0.2177-0.0000 ( 3635 PWs) bands (ev): -45.8150 -45.8150 -23.3329 -23.3305 -21.2522 -21.2516 -21.1945 -21.1904 -5.7232 -5.7232 -5.6849 -5.6849 -4.9367 -4.9364 -4.8448 -4.8448 -4.7825 -4.7824 -4.1443 -4.1410 -3.7512 -3.7509 2.5068 2.5090 5.5980 5.6213 5.6979 5.7110 6.0340 6.0372 6.8721 7.0118 7.6324 7.6905 7.7666 7.8389 9.0105 9.0553 11.1569 11.1612 11.1884 11.2103 11.5381 11.5702 12.4362 12.4379 k = 0.1202 0.2082-0.0000 ( 3635 PWs) bands (ev): -45.8156 -45.8156 -23.3306 -23.3285 -21.2501 -21.2494 -21.1911 -21.1873 -5.7246 -5.7245 -5.6863 -5.6863 -4.9401 -4.9398 -4.8467 -4.8467 -4.7823 -4.7823 -4.1784 -4.1756 -3.7725 -3.7723 2.4451 2.4470 5.5883 5.6123 5.6641 5.6792 6.1191 6.1237 6.9698 7.1123 7.6663 7.7008 7.7669 7.8672 9.0520 9.0904 11.1631 11.1778 11.2111 11.2126 11.5245 11.5617 12.4083 12.4106 k = 0.1148 0.1988-0.0000 ( 3631 PWs) bands (ev): -45.8162 -45.8162 -23.3284 -23.3265 -21.2482 -21.2474 -21.1876 -21.1841 -5.7259 -5.7259 -5.6877 -5.6877 -4.9436 -4.9433 -4.8486 -4.8486 -4.7819 -4.7819 -4.2114 -4.2089 -3.7933 -3.7931 2.3858 2.3874 5.5617 5.5777 5.6552 5.6634 6.2065 6.2123 7.0668 7.2119 7.6994 7.7054 7.7639 7.8971 9.0955 9.1279 11.1710 11.1946 11.2202 11.2379 11.5134 11.5561 12.3788 12.3816 k = 0.1093 0.1893-0.0000 ( 3631 PWs) bands (ev): -45.8168 -45.8168 -23.3263 -23.3246 -21.2465 -21.2457 -21.1840 -21.1808 -5.7273 -5.7273 -5.6891 -5.6890 -4.9473 -4.9470 -4.8506 -4.8506 -4.7815 -4.7814 -4.2430 -4.2409 -3.8135 -3.8133 2.3288 2.3302 5.5233 5.5330 5.6568 5.6597 6.2951 6.3018 7.1626 7.3103 7.7049 7.7282 7.7620 7.9283 9.1401 9.1670 11.1817 11.2095 11.2350 11.2670 11.5052 11.5534 12.3479 12.3511 k = 0.1038 0.1798-0.0000 ( 3631 PWs) bands (ev): -45.8174 -45.8174 -23.3242 -23.3228 -21.2449 -21.2441 -21.1803 -21.1775 -5.7287 -5.7287 -5.6904 -5.6904 -4.9511 -4.9508 -4.8526 -4.8526 -4.7808 -4.7808 -4.2734 -4.2716 -3.8329 -3.8328 2.2743 2.2754 5.4808 5.4871 5.6604 5.6608 6.3842 6.3917 7.2568 7.4068 7.7002 7.7347 7.7798 7.9607 9.1852 9.2072 11.1958 11.2234 11.2558 11.2975 11.5003 11.5539 12.3159 12.3193 k = 0.0984 0.1704-0.0000 ( 3631 PWs) bands (ev): -45.8180 -45.8180 -23.3222 -23.3210 -21.2434 -21.2427 -21.1766 -21.1741 -5.7301 -5.7301 -5.6918 -5.6918 -4.9550 -4.9548 -4.8546 -4.8546 -4.7801 -4.7801 -4.3022 -4.3007 -3.8517 -3.8516 2.2222 2.2232 5.4375 5.4419 5.6636 5.6643 6.4733 6.4813 7.3488 7.5007 7.6921 7.7248 7.8122 7.9939 9.2303 9.2478 11.2134 11.2386 11.2797 11.3286 11.4989 11.5577 12.2829 12.2865 k = 0.0929 0.1609-0.0000 ( 3619 PWs) bands (ev): -45.8184 -45.8184 -23.3203 -23.3192 -21.2421 -21.2415 -21.1729 -21.1707 -5.7315 -5.7315 -5.6930 -5.6930 -4.9590 -4.9588 -4.8565 -4.8565 -4.7792 -4.7792 -4.3296 -4.3283 -3.8697 -3.8696 2.1728 2.1736 5.3948 5.3980 5.6670 5.6681 6.5617 6.5703 7.4380 7.5915 7.6816 7.7108 7.8476 8.0276 9.2746 9.2884 11.2345 11.2565 11.3055 11.3596 11.5015 11.5645 12.2492 12.2529 k = 0.0874 0.1514-0.0000 ( 3615 PWs) bands (ev): -45.8189 -45.8189 -23.3184 -23.3175 -21.2410 -21.2404 -21.1692 -21.1674 -5.7329 -5.7329 -5.6943 -5.6943 -4.9632 -4.9630 -4.8584 -4.8584 -4.7784 -4.7783 -4.3555 -4.3544 -3.8869 -3.8868 2.1260 2.1267 5.3533 5.3557 5.6705 5.6717 6.6491 6.6581 7.5240 7.6693 7.6776 7.6955 7.8845 8.0618 9.3177 9.3283 11.2591 11.2775 11.3325 11.3896 11.5085 11.5743 12.2150 12.2188 k = 0.0820 0.1420-0.0000 ( 3617 PWs) bands (ev): -45.8195 -45.8195 -23.3167 -23.3159 -21.2399 -21.2394 -21.1656 -21.1641 -5.7344 -5.7344 -5.6955 -5.6955 -4.9674 -4.9672 -4.8603 -4.8603 -4.7775 -4.7775 -4.3797 -4.3789 -3.9033 -3.9032 2.0818 2.0823 5.3135 5.3153 5.6738 5.6750 6.7350 6.7442 7.6053 7.6569 7.6781 7.7594 7.9234 8.0960 9.3591 9.3671 11.2872 11.3015 11.3606 11.4178 11.5204 11.5867 12.1807 12.1844 k = 0.0765 0.1325-0.0000 ( 3621 PWs) bands (ev): -45.8200 -45.8200 -23.3150 -23.3144 -21.2390 -21.2386 -21.1621 -21.1608 -5.7359 -5.7359 -5.6967 -5.6967 -4.9717 -4.9716 -4.8621 -4.8621 -4.7766 -4.7766 -4.4024 -4.4017 -3.9188 -3.9188 2.0403 2.0408 5.2756 5.2769 5.6769 5.6780 6.8188 6.8282 7.6378 7.6609 7.6885 7.8333 7.9653 8.1302 9.3984 9.4042 11.3186 11.3286 11.3898 11.4438 11.5373 11.6013 12.1466 12.1500 k = 0.0710 0.1230-0.0000 ( 3623 PWs) bands (ev): -45.8205 -45.8205 -23.3134 -23.3130 -21.2382 -21.2378 -21.1587 -21.1577 -5.7373 -5.7373 -5.6979 -5.6979 -4.9760 -4.9759 -4.8638 -4.8638 -4.7757 -4.7757 -4.4234 -4.4228 -3.9334 -3.9334 2.0016 2.0019 5.2397 5.2407 5.6798 5.6807 6.9001 6.9095 7.6243 7.6436 7.7612 7.8978 8.0117 8.1641 9.4352 9.4394 11.3529 11.3583 11.4200 11.4676 11.5585 11.6177 12.1129 12.1161 k = 0.0656 0.1136-0.0000 ( 3619 PWs) bands (ev): -45.8209 -45.8209 -23.3120 -23.3116 -21.2374 -21.2372 -21.1555 -21.1547 -5.7386 -5.7386 -5.6990 -5.6990 -4.9802 -4.9801 -4.8655 -4.8655 -4.7747 -4.7747 -4.4427 -4.4423 -3.9471 -3.9470 1.9656 1.9659 5.2060 5.2067 5.6824 5.6831 6.9783 6.9876 7.6097 7.6265 7.8303 7.9516 8.0633 8.1975 9.4694 9.4722 11.3898 11.3903 11.4514 11.4902 11.5830 11.6354 12.0802 12.0830 k = 0.0601 0.1041-0.0000 ( 3635 PWs) bands (ev): -45.8214 -45.8214 -23.3106 -23.3103 -21.2368 -21.2366 -21.1525 -21.1518 -5.7400 -5.7400 -5.7001 -5.7001 -4.9845 -4.9844 -4.8672 -4.8672 -4.7739 -4.7739 -4.4604 -4.4601 -3.9597 -3.9597 1.9324 1.9326 5.1746 5.1751 5.6846 5.6853 7.0530 7.0619 7.5952 7.6100 7.8944 7.9960 8.1181 8.2302 9.5008 9.5026 11.4238 11.4286 11.4838 11.5123 11.6092 11.6540 12.0488 12.0511 k = 0.0546 0.0946-0.0000 ( 3627 PWs) bands (ev): -45.8217 -45.8217 -23.3094 -23.3091 -21.2363 -21.2361 -21.1496 -21.1491 -5.7413 -5.7413 -5.7010 -5.7010 -4.9885 -4.9884 -4.8685 -4.8685 -4.7731 -4.7731 -4.4764 -4.4762 -3.9714 -3.9714 1.9020 1.9022 5.1456 5.1460 5.6866 5.6871 7.1235 7.1321 7.5814 7.5944 7.9530 8.0341 8.1726 8.2618 9.5292 9.5303 11.4581 11.4680 11.5173 11.5351 11.6360 11.6731 12.0192 12.0210 k = 0.0492 0.0852-0.0000 ( 3623 PWs) bands (ev): -45.8220 -45.8220 -23.3082 -23.3081 -21.2358 -21.2356 -21.1470 -21.1466 -5.7425 -5.7424 -5.7018 -5.7018 -4.9924 -4.9923 -4.8699 -4.8699 -4.7722 -4.7722 -4.4908 -4.4906 -3.9821 -3.9820 1.8744 1.8746 5.1191 5.1194 5.6883 5.6887 7.1892 7.1973 7.5685 7.5798 8.0061 8.0677 8.2244 8.2922 9.5546 9.5552 11.4919 11.5064 11.5516 11.5594 11.6626 11.6923 11.9921 11.9934 k = 0.0437 0.0757-0.0000 ( 3613 PWs) bands (ev): -45.8223 -45.8223 -23.3072 -23.3071 -21.2353 -21.2353 -21.1446 -21.1443 -5.7435 -5.7435 -5.7025 -5.7025 -4.9960 -4.9959 -4.8710 -4.8710 -4.7714 -4.7714 -4.5035 -4.5034 -3.9916 -3.9916 1.8497 1.8498 5.0952 5.0954 5.6897 5.6900 7.2497 7.2571 7.5568 7.5665 8.0532 8.0979 8.2717 8.3209 9.5770 9.5774 11.5242 11.5408 11.5860 11.5868 11.6882 11.7114 11.9683 11.9690 k = 0.0383 0.0663-0.0000 ( 3607 PWs) bands (ev): -45.8225 -45.8225 -23.3063 -23.3062 -21.2350 -21.2349 -21.1424 -21.1422 -5.7445 -5.7445 -5.7032 -5.7032 -4.9993 -4.9993 -4.8720 -4.8720 -4.7706 -4.7706 -4.5147 -4.5146 -4.0002 -4.0001 1.8279 1.8280 5.0740 5.0741 5.6909 5.6911 7.3042 7.3109 7.5466 7.5548 8.0945 8.1252 8.3139 8.3477 9.5965 9.5967 11.5540 11.5690 11.6177 11.6197 11.7122 11.7298 11.9485 11.9487 k = 0.0328 0.0568-0.0000 ( 3603 PWs) bands (ev): -45.8227 -45.8227 -23.3055 -23.3054 -21.2347 -21.2346 -21.1405 -21.1404 -5.7454 -5.7454 -5.7038 -5.7038 -5.0023 -5.0023 -4.8729 -4.8729 -4.7700 -4.7700 -4.5243 -4.5243 -4.0076 -4.0076 1.8090 1.8090 5.0554 5.0555 5.6919 5.6920 7.3521 7.3578 7.5383 7.5449 8.1298 8.1495 8.3505 8.3722 9.6131 9.6132 11.5802 11.5914 11.6495 11.6511 11.7341 11.7470 11.9337 11.9339 k = 0.0273 0.0473-0.0000 ( 3599 PWs) bands (ev): -45.8229 -45.8229 -23.3048 -23.3048 -21.2344 -21.2344 -21.1389 -21.1388 -5.7462 -5.7462 -5.7043 -5.7043 -5.0050 -5.0050 -4.8737 -4.8737 -4.7694 -4.7694 -4.5324 -4.5323 -4.0139 -4.0139 1.7929 1.7929 5.0397 5.0397 5.6927 5.6928 7.3927 7.3972 7.5323 7.5374 8.1593 8.1708 8.3812 8.3940 9.6270 9.6270 11.6026 11.6096 11.6781 11.6785 11.7532 11.7622 11.9249 11.9253 k = 0.0219 0.0379-0.0000 ( 3599 PWs) bands (ev): -45.8230 -45.8230 -23.3042 -23.3042 -21.2342 -21.2342 -21.1375 -21.1375 -5.7468 -5.7468 -5.7047 -5.7047 -5.0073 -5.0073 -4.8744 -4.8744 -4.7690 -4.7690 -4.5389 -4.5389 -4.0190 -4.0190 1.7798 1.7798 5.0267 5.0268 5.6933 5.6934 7.4249 7.4281 7.5291 7.5326 8.1829 8.1889 8.4061 8.4127 9.6382 9.6382 11.6208 11.6245 11.7001 11.7004 11.7696 11.7752 11.9226 11.9230 k = 0.0164 0.0284-0.0000 ( 3603 PWs) bands (ev): -45.8232 -45.8232 -23.3038 -23.3038 -21.2341 -21.2341 -21.1365 -21.1365 -5.7474 -5.7474 -5.7050 -5.7050 -5.0091 -5.0091 -4.8749 -4.8749 -4.7687 -4.7687 -4.5440 -4.5440 -4.0231 -4.0231 1.7695 1.7695 5.0166 5.0166 5.6938 5.6938 7.4479 7.4497 7.5294 7.5313 8.2009 8.2034 8.4251 8.4279 9.6468 9.6468 11.6346 11.6363 11.7150 11.7153 11.7831 11.7858 11.9255 11.9257 k = 0.0109 0.0189-0.0000 ( 3605 PWs) bands (ev): -45.8233 -45.8233 -23.3035 -23.3035 -21.2340 -21.2340 -21.1357 -21.1357 -5.7478 -5.7478 -5.7052 -5.7052 -5.0104 -5.0104 -4.8752 -4.8752 -4.7685 -4.7685 -4.5476 -4.5476 -4.0260 -4.0260 1.7622 1.7622 5.0094 5.0094 5.6941 5.6941 7.4618 7.4624 7.5326 7.5332 8.2134 8.2142 8.4384 8.4392 9.6528 9.6528 11.6443 11.6448 11.7235 11.7237 11.7934 11.7943 11.9309 11.9310 k = 0.0055 0.0095-0.0000 ( 3617 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1353 -21.1353 -5.7481 -5.7481 -5.7055 -5.7055 -5.0112 -5.0112 -4.8756 -4.8756 -4.7684 -4.7684 -4.5498 -4.5498 -4.0277 -4.0277 1.7578 1.7578 5.0050 5.0050 5.6943 5.6943 7.4683 7.4684 7.5361 7.5362 8.2208 8.2208 8.4462 8.4463 9.6565 9.6565 11.6500 11.6501 11.7276 11.7276 11.7999 11.8000 11.9356 11.9356 k = 0.0000 0.0000 0.0000 ( 3621 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7482 -5.7482 -5.7056 -5.7056 -5.0115 -5.0115 -4.8757 -4.8757 -4.7684 -4.7684 -4.5505 -4.5505 -4.0283 -4.0283 1.7564 1.7564 5.0036 5.0036 5.6943 5.6943 7.4701 7.4701 7.5376 7.5376 8.2231 8.2231 8.4487 8.4487 9.6577 9.6577 11.6518 11.6518 11.7287 11.7287 11.8021 11.8021 11.9374 11.9374 k = 0.0000 0.0000 0.0000 ( 3621 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7482 -5.7482 -5.7056 -5.7056 -5.0115 -5.0115 -4.8757 -4.8757 -4.7684 -4.7684 -4.5505 -4.5505 -4.0283 -4.0283 1.7564 1.7564 5.0036 5.0036 5.6943 5.6943 7.4701 7.4701 7.5376 7.5376 8.2231 8.2231 8.4487 8.4487 9.6577 9.6577 11.6518 11.6518 11.7287 11.7287 11.8021 11.8021 11.9374 11.9374 k = 0.0000 0.0000 0.0109 ( 3621 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7480 -5.7480 -5.7056 -5.7056 -5.0111 -5.0111 -4.8757 -4.8757 -4.7684 -4.7684 -4.5520 -4.5520 -4.0275 -4.0275 1.7591 1.7591 4.9695 4.9695 5.7310 5.7310 7.4702 7.4702 7.5376 7.5376 8.2230 8.2230 8.4485 8.4487 9.6529 9.6529 11.6521 11.6521 11.7286 11.7286 11.8003 11.8045 11.9351 11.9394 k = 0.0000 0.0000 0.0219 ( 3615 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7476 -5.7476 -5.7056 -5.7056 -5.0096 -5.0096 -4.8757 -4.8757 -4.7683 -4.7683 -4.5562 -4.5562 -4.0253 -4.0253 1.7672 1.7672 4.8834 4.8834 5.8251 5.8251 7.4706 7.4706 7.5377 7.5378 8.2227 8.2227 8.4482 8.4485 9.6387 9.6387 11.6530 11.6530 11.7284 11.7284 11.7991 11.8074 11.9326 11.9410 k = 0.0000 0.0000 0.0328 ( 3603 PWs) bands (ev): -45.8234 -45.8234 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7469 -5.7469 -5.7055 -5.7055 -5.0073 -5.0073 -4.8757 -4.8757 -4.7682 -4.7682 -4.5630 -4.5630 -4.0217 -4.0217 1.7806 1.7806 4.7701 4.7701 5.9516 5.9516 7.4712 7.4712 7.5379 7.5381 8.2223 8.2223 8.4477 8.4481 9.6149 9.6149 11.6544 11.6544 11.7280 11.7280 11.7984 11.8108 11.9298 11.9422 k = 0.0000 0.0000 0.0438 ( 3591 PWs) bands (ev): -45.8233 -45.8233 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7460 -5.7460 -5.7054 -5.7054 -5.0041 -5.0041 -4.8755 -4.8755 -4.7682 -4.7682 -4.5723 -4.5723 -4.0170 -4.0170 1.7992 1.7992 4.6451 4.6451 6.0950 6.0950 7.4721 7.4721 7.5381 7.5384 8.2216 8.2216 8.4471 8.4476 9.5814 9.5814 11.6564 11.6564 11.7275 11.7275 11.7984 11.8146 11.9268 11.9431 k = 0.0000 0.0000 0.0547 ( 3591 PWs) bands (ev): -45.8233 -45.8233 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7449 -5.7449 -5.7054 -5.7054 -5.0000 -5.0000 -4.8755 -4.8755 -4.7682 -4.7682 -4.5836 -4.5836 -4.0114 -4.0114 1.8227 1.8227 4.5161 4.5161 6.2478 6.2478 7.4733 7.4733 7.5385 7.5388 8.2208 8.2208 8.4463 8.4469 9.5380 9.5380 11.6588 11.6588 11.7268 11.7268 11.7990 11.8187 11.9236 11.9435 k = 0.0000 0.0000 0.0657 ( 3585 PWs) bands (ev): -45.8232 -45.8232 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7437 -5.7437 -5.7054 -5.7054 -4.9950 -4.9950 -4.8755 -4.8755 -4.7682 -4.7682 -4.5967 -4.5967 -4.0051 -4.0051 1.8509 1.8509 4.3868 4.3868 6.4062 6.4062 7.4750 7.4750 7.5389 7.5392 8.2199 8.2199 8.4454 8.4461 9.4846 9.4846 11.6617 11.6617 11.7260 11.7260 11.8001 11.8230 11.9204 11.9435 k = 0.0000 0.0000 0.0766 ( 3579 PWs) bands (ev): -45.8232 -45.8232 -23.3032 -23.3032 -21.2339 -21.2339 -21.1351 -21.1351 -5.7423 -5.7423 -5.7053 -5.7053 -4.9893 -4.9893 -4.8754 -4.8754 -4.7681 -4.7681 -4.6112 -4.6112 -3.9985 -3.9985 1.8833 1.8833 4.2597 4.2597 6.5676 6.5676 7.4772 7.4772 7.5393 7.5397 8.2189 8.2189 8.4445 8.4452 9.4212 9.4212 11.6650 11.6650 11.7252 11.7252 11.8018 11.8275 11.9172 11.9431 k = 0.0000 0.0000 0.0876 ( 3591 PWs) bands (ev): -45.8233 -45.8233 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7410 -5.7410 -5.7053 -5.7053 -4.9829 -4.9829 -4.8754 -4.8754 -4.7682 -4.7682 -4.6267 -4.6267 -3.9917 -3.9917 1.9194 1.9194 4.1365 4.1365 6.7304 6.7304 7.4803 7.4803 7.5398 7.5401 8.2178 8.2178 8.4435 8.4443 9.3478 9.3478 11.6686 11.6686 11.7242 11.7242 11.8040 11.8318 11.9142 11.9422 k = 0.0000 0.0000 0.0985 ( 3603 PWs) bands (ev): -45.8234 -45.8234 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7397 -5.7397 -5.7054 -5.7054 -4.9758 -4.9758 -4.8755 -4.8755 -4.7684 -4.7684 -4.6427 -4.6427 -3.9851 -3.9851 1.9585 1.9585 4.0184 4.0184 6.8927 6.8927 7.4850 7.4850 7.5403 7.5406 8.2166 8.2166 8.4425 8.4433 9.2645 9.2645 11.6724 11.6724 11.7232 11.7232 11.8066 11.8359 11.9114 11.9409 k = 0.0000 0.0000 0.1095 ( 3597 PWs) bands (ev): -45.8233 -45.8233 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7382 -5.7382 -5.7054 -5.7054 -4.9682 -4.9682 -4.8755 -4.8755 -4.7683 -4.7683 -4.6589 -4.6589 -3.9788 -3.9788 1.9998 1.9998 3.9068 3.9068 7.0520 7.0520 7.4931 7.4931 7.5408 7.5411 8.2155 8.2155 8.4415 8.4423 9.1717 9.1717 11.6763 11.6763 11.7222 11.7222 11.8097 11.8395 11.9091 11.9391 k = 0.0000 0.0000 0.1204 ( 3596 PWs) bands (ev): -45.8233 -45.8233 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7368 -5.7368 -5.7054 -5.7054 -4.9602 -4.9602 -4.8755 -4.8755 -4.7683 -4.7683 -4.6748 -4.6748 -3.9730 -3.9730 2.0420 2.0420 3.8032 3.8032 7.2022 7.2022 7.5094 7.5094 7.5412 7.5415 8.2144 8.2144 8.4406 8.4413 9.0700 9.0700 11.6802 11.6802 11.7213 11.7213 11.8131 11.8423 11.9076 11.9370 k = 0.0000 0.0000 0.1314 ( 3596 PWs) bands (ev): -45.8233 -45.8233 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7356 -5.7356 -5.7054 -5.7054 -4.9522 -4.9522 -4.8755 -4.8755 -4.7683 -4.7683 -4.6899 -4.6899 -3.9679 -3.9679 2.0838 2.0838 3.7093 3.7093 7.3266 7.3266 7.5417 7.5419 7.5498 7.5498 8.2133 8.2133 8.4398 8.4405 8.9601 8.9601 11.6839 11.6839 11.7204 11.7204 11.8168 11.8441 11.9069 11.9344 k = 0.0000 0.0000 0.1423 ( 3614 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7346 -5.7346 -5.7055 -5.7055 -4.9445 -4.9445 -4.8756 -4.8756 -4.7685 -4.7685 -4.7036 -4.7036 -3.9636 -3.9636 2.1231 2.1231 3.6271 3.6271 7.3975 7.3975 7.5420 7.5423 7.6406 7.6406 8.2121 8.2121 8.4391 8.4397 8.8435 8.8435 11.6873 11.6873 11.7197 11.7197 11.8207 11.8446 11.9073 11.9314 k = 0.0000 0.0000 0.1532 ( 3614 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7337 -5.7337 -5.7055 -5.7055 -4.9376 -4.9376 -4.8756 -4.8756 -4.7685 -4.7685 -4.7155 -4.7155 -3.9601 -3.9601 2.1578 2.1578 3.5590 3.5590 7.4252 7.4252 7.5424 7.5425 7.7693 7.7693 8.2108 8.2108 8.4386 8.4390 8.7224 8.7224 11.6902 11.6902 11.7191 11.7191 11.8247 11.8440 11.9088 11.9282 k = 0.0000 0.0000 0.1642 ( 3614 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7331 -5.7331 -5.7055 -5.7055 -4.9319 -4.9319 -4.8756 -4.8756 -4.7685 -4.7685 -4.7247 -4.7247 -3.9575 -3.9575 2.1853 2.1853 3.5076 3.5076 7.4362 7.4362 7.5426 7.5427 7.9051 7.9051 8.2086 8.2086 8.4382 8.4385 8.6019 8.6019 11.6924 11.6924 11.7188 11.7188 11.8287 11.8422 11.9111 11.9247 k = 0.0000 0.0000 0.1751 ( 3620 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7328 -5.7328 -5.7055 -5.7055 -4.9283 -4.9283 -4.8756 -4.8756 -4.7685 -4.7685 -4.7305 -4.7305 -3.9560 -3.9560 2.2031 2.2031 3.4754 3.4754 7.4410 7.4410 7.5428 7.5428 8.0257 8.0257 8.2040 8.2040 8.4380 8.4382 8.4957 8.4957 11.6937 11.6937 11.7186 11.7186 11.8327 11.8396 11.9142 11.9212 k = 0.0000 0.0000 0.1861 ( 3614 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7325 -5.7325 -5.7055 -5.7055 -4.9269 -4.9269 -4.8756 -4.8756 -4.7685 -4.7685 -4.7326 -4.7326 -3.9555 -3.9555 2.2093 2.2093 3.4645 3.4645 7.4423 7.4423 7.5428 7.5428 8.0852 8.0852 8.1977 8.1977 8.4380 8.4380 8.4459 8.4459 11.6942 11.6942 11.7185 11.7185 11.8363 11.8363 11.9176 11.9176 k = 0.0000 0.0000 0.1861 ( 3614 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7325 -5.7325 -5.7055 -5.7055 -4.9269 -4.9269 -4.8756 -4.8756 -4.7685 -4.7685 -4.7326 -4.7326 -3.9555 -3.9555 2.2093 2.2093 3.4645 3.4645 7.4423 7.4423 7.5428 7.5428 8.0852 8.0852 8.1977 8.1977 8.4380 8.4380 8.4459 8.4459 11.6942 11.6942 11.7185 11.7185 11.8363 11.8363 11.9176 11.9176 k = 0.0094 0.0054 0.1861 ( 3608 PWs) bands (ev): -45.8234 -45.8234 -23.3033 -23.3033 -21.2339 -21.2339 -21.1353 -21.1353 -5.7324 -5.7324 -5.7054 -5.7054 -4.9269 -4.9269 -4.8755 -4.8755 -4.7685 -4.7685 -4.7315 -4.7315 -3.9549 -3.9549 2.2105 2.2105 3.4658 3.4658 7.4406 7.4406 7.5414 7.5414 8.0763 8.0763 8.2016 8.2016 8.4375 8.4375 8.4470 8.4470 11.6942 11.6942 11.7099 11.7099 11.8283 11.8283 11.9137 11.9137 k = 0.0189 0.0109 0.1861 ( 3616 PWs) bands (ev): -45.8234 -45.8234 -23.3035 -23.3035 -21.2340 -21.2340 -21.1357 -21.1357 -5.7324 -5.7324 -5.7053 -5.7053 -4.9269 -4.9269 -4.8753 -4.8753 -4.7689 -4.7689 -4.7283 -4.7283 -3.9532 -3.9532 2.2144 2.2144 3.4698 3.4698 7.4349 7.4349 7.5377 7.5377 8.0530 8.0530 8.2095 8.2095 8.4361 8.4361 8.4501 8.4501 11.6806 11.6806 11.6948 11.6948 11.8101 11.8101 11.9074 11.9074 k = 0.0283 0.0163 0.1861 ( 3616 PWs) bands (ev): -45.8233 -45.8233 -23.3038 -23.3038 -21.2341 -21.2341 -21.1365 -21.1365 -5.7322 -5.7322 -5.7051 -5.7051 -4.9267 -4.9267 -4.8749 -4.8749 -4.7694 -4.7694 -4.7230 -4.7230 -3.9504 -3.9504 2.2208 2.2208 3.4765 3.4765 7.4233 7.4233 7.5336 7.5336 8.0205 8.0205 8.2164 8.2164 8.4343 8.4343 8.4550 8.4550 11.6312 11.6312 11.6939 11.6939 11.7927 11.7927 11.9034 11.9034 k = 0.0377 0.0218 0.1861 ( 3622 PWs) bands (ev): -45.8232 -45.8232 -23.3043 -23.3043 -21.2343 -21.2343 -21.1375 -21.1375 -5.7319 -5.7319 -5.7048 -5.7048 -4.9265 -4.9265 -4.8745 -4.8745 -4.7700 -4.7700 -4.7158 -4.7158 -3.9464 -3.9464 2.2298 2.2298 3.4858 3.4858 7.4040 7.4040 7.5312 7.5312 7.9819 7.9819 8.2190 8.2190 8.4325 8.4325 8.4612 8.4612 11.5660 11.5660 11.6916 11.6916 11.7789 11.7789 11.9025 11.9025 k = 0.0472 0.0272 0.1861 ( 3622 PWs) bands (ev): -45.8231 -45.8231 -23.3048 -23.3048 -21.2344 -21.2344 -21.1388 -21.1388 -5.7315 -5.7315 -5.7044 -5.7044 -4.9263 -4.9263 -4.8738 -4.8738 -4.7706 -4.7706 -4.7066 -4.7066 -3.9414 -3.9414 2.2414 2.2414 3.4977 3.4977 7.3758 7.3758 7.5318 7.5318 7.9388 7.9388 8.2159 8.2159 8.4309 8.4309 8.4686 8.4686 11.4921 11.4921 11.6870 11.6870 11.7669 11.7669 11.9055 11.9055 k = 0.0566 0.0327 0.1861 ( 3620 PWs) bands (ev): -45.8228 -45.8228 -23.3054 -23.3054 -21.2347 -21.2347 -21.1404 -21.1404 -5.7311 -5.7311 -5.7038 -5.7038 -4.9259 -4.9259 -4.8730 -4.8730 -4.7713 -4.7713 -4.6955 -4.6955 -3.9352 -3.9352 2.2555 2.2555 3.5122 3.5122 7.3388 7.3388 7.5354 7.5354 7.8920 7.8920 8.2067 8.2067 8.4292 8.4292 8.4770 8.4770 11.4135 11.4135 11.6798 11.6798 11.7551 11.7551 11.9131 11.9131 k = 0.0660 0.0381 0.1861 ( 3624 PWs) bands (ev): -45.8226 -45.8226 -23.3062 -23.3062 -21.2350 -21.2350 -21.1423 -21.1423 -5.7306 -5.7306 -5.7032 -5.7032 -4.9256 -4.9256 -4.8720 -4.8720 -4.7721 -4.7721 -4.6825 -4.6825 -3.9279 -3.9279 2.2722 2.2722 3.5293 3.5293 7.2938 7.2938 7.5414 7.5414 7.8424 7.8424 8.1915 8.1915 8.4270 8.4270 8.4863 8.4863 11.3324 11.3324 11.6702 11.6702 11.7426 11.7426 11.9258 11.9258 k = 0.0755 0.0436 0.1861 ( 3628 PWs) bands (ev): -45.8224 -45.8224 -23.3071 -23.3071 -21.2353 -21.2353 -21.1444 -21.1444 -5.7300 -5.7300 -5.7026 -5.7026 -4.9252 -4.9252 -4.8710 -4.8710 -4.7729 -4.7729 -4.6677 -4.6677 -3.9196 -3.9196 2.2914 2.2914 3.5488 3.5488 7.2416 7.2416 7.5487 7.5487 7.7907 7.7907 8.1709 8.1709 8.4233 8.4233 8.4968 8.4968 11.2503 11.2503 11.6592 11.6592 11.7293 11.7293 11.9432 11.9432 k = 0.0849 0.0490 0.1861 ( 3628 PWs) bands (ev): -45.8221 -45.8221 -23.3081 -23.3081 -21.2357 -21.2357 -21.1467 -21.1467 -5.7294 -5.7294 -5.7018 -5.7018 -4.9247 -4.9247 -4.8697 -4.8697 -4.7737 -4.7737 -4.6510 -4.6510 -3.9101 -3.9101 2.3132 2.3132 3.5708 3.5708 7.1829 7.1829 7.5557 7.5557 7.7384 7.7384 8.1456 8.1456 8.4174 8.4174 8.5084 8.5084 11.1681 11.1681 11.6478 11.6478 11.7152 11.7152 11.9650 11.9650 k = 0.0943 0.0545 0.1861 ( 3636 PWs) bands (ev): -45.8218 -45.8218 -23.3092 -23.3092 -21.2362 -21.2362 -21.1493 -21.1493 -5.7288 -5.7288 -5.7010 -5.7010 -4.9241 -4.9241 -4.8685 -4.8685 -4.7746 -4.7746 -4.6326 -4.6326 -3.8997 -3.8997 2.3375 2.3375 3.5951 3.5951 7.1184 7.1184 7.5584 7.5584 7.6894 7.6894 8.1162 8.1162 8.4085 8.4085 8.5213 8.5213 11.0865 11.0865 11.6366 11.6366 11.7011 11.7011 11.9902 11.9902 k = 0.1038 0.0599 0.1861 ( 3632 PWs) bands (ev): -45.8214 -45.8214 -23.3104 -23.3104 -21.2367 -21.2367 -21.1520 -21.1520 -5.7280 -5.7280 -5.7000 -5.7000 -4.9235 -4.9235 -4.8670 -4.8670 -4.7753 -4.7753 -4.6124 -4.6124 -3.8882 -3.8882 2.3644 2.3644 3.6217 3.6217 7.0487 7.0487 7.5454 7.5454 7.6549 7.6549 8.0833 8.0833 8.3964 8.3964 8.5353 8.5353 11.0062 11.0062 11.6258 11.6258 11.6878 11.6878 12.0184 12.0184 k = 0.1132 0.0654 0.1861 ( 3618 PWs) bands (ev): -45.8209 -45.8209 -23.3117 -23.3117 -21.2373 -21.2373 -21.1549 -21.1549 -5.7272 -5.7272 -5.6989 -5.6989 -4.9227 -4.9227 -4.8653 -4.8653 -4.7761 -4.7761 -4.5905 -4.5905 -3.8756 -3.8756 2.3939 2.3939 3.6504 3.6504 6.9744 6.9744 7.5053 7.5053 7.6461 7.6461 8.0476 8.0476 8.3809 8.3809 8.5501 8.5501 10.9277 10.9277 11.6148 11.6148 11.6771 11.6771 12.0488 12.0488 k = 0.1226 0.0708 0.1861 ( 3614 PWs) bands (ev): -45.8204 -45.8204 -23.3131 -23.3131 -21.2380 -21.2380 -21.1580 -21.1580 -5.7265 -5.7265 -5.6977 -5.6977 -4.9219 -4.9219 -4.8636 -4.8636 -4.7769 -4.7769 -4.5669 -4.5669 -3.8621 -3.8621 2.4258 2.4258 3.6813 3.6813 6.8959 6.8959 7.4472 7.4472 7.6537 7.6537 8.0094 8.0094 8.3623 8.3623 8.5654 8.5654 10.8518 10.8518 11.6026 11.6026 11.6708 11.6708 12.0809 12.0809 k = 0.1321 0.0763 0.1861 ( 3620 PWs) bands (ev): -45.8200 -45.8200 -23.3146 -23.3146 -21.2388 -21.2388 -21.1612 -21.1612 -5.7257 -5.7257 -5.6966 -5.6966 -4.9212 -4.9212 -4.8618 -4.8618 -4.7777 -4.7777 -4.5417 -4.5417 -3.8477 -3.8477 2.4603 2.4603 3.7141 3.7141 6.8138 6.8138 7.3810 7.3810 7.6679 7.6679 7.9692 7.9692 8.3409 8.3409 8.5808 8.5808 10.7789 10.7789 11.5884 11.5884 11.6701 11.6701 12.1142 12.1142 k = 0.1415 0.0817 0.1861 ( 3622 PWs) bands (ev): -45.8195 -45.8195 -23.3162 -23.3162 -21.2398 -21.2398 -21.1645 -21.1645 -5.7250 -5.7250 -5.6954 -5.6954 -4.9203 -4.9203 -4.8600 -4.8600 -4.7785 -4.7785 -4.5149 -4.5149 -3.8323 -3.8323 2.4973 2.4973 3.7488 3.7488 6.7285 6.7285 7.3100 7.3100 7.6850 7.6850 7.9274 7.9274 8.3171 8.3171 8.5959 8.5959 10.7099 10.7099 11.5725 11.5725 11.6754 11.6754 12.1484 12.1484 k = 0.1509 0.0871 0.1861 ( 3622 PWs) bands (ev): -45.8190 -45.8190 -23.3179 -23.3179 -21.2408 -21.2408 -21.1679 -21.1679 -5.7242 -5.7242 -5.6941 -5.6941 -4.9194 -4.9194 -4.8581 -4.8581 -4.7792 -4.7792 -4.4866 -4.4866 -3.8160 -3.8160 2.5368 2.5368 3.7853 3.7853 6.6404 6.6404 7.2355 7.2355 7.7038 7.7038 7.8842 7.8842 8.2914 8.2914 8.6103 8.6103 10.6452 10.6452 11.5555 11.5555 11.6862 11.6862 12.1829 12.1829 k = 0.1604 0.0926 0.1861 ( 3614 PWs) bands (ev): -45.8184 -45.8184 -23.3196 -23.3196 -21.2421 -21.2421 -21.1712 -21.1712 -5.7234 -5.7234 -5.6927 -5.6927 -4.9185 -4.9185 -4.8562 -4.8562 -4.7797 -4.7797 -4.4569 -4.4569 -3.7989 -3.7989 2.5788 2.5788 3.8233 3.8233 6.5501 6.5501 7.1580 7.1580 7.7235 7.7235 7.8401 7.8401 8.2643 8.2643 8.6234 8.6234 10.5857 10.5857 11.5381 11.5381 11.7019 11.7019 12.2176 12.2176 k = 0.1698 0.0980 0.1861 ( 3610 PWs) bands (ev): -45.8178 -45.8178 -23.3215 -23.3215 -21.2434 -21.2434 -21.1746 -21.1746 -5.7227 -5.7227 -5.6912 -5.6912 -4.9174 -4.9174 -4.8543 -4.8543 -4.7802 -4.7802 -4.4257 -4.4257 -3.7810 -3.7810 2.6232 2.6232 3.8627 3.8627 6.4578 6.4578 7.0779 7.0779 7.7435 7.7435 7.7954 7.7954 8.2365 8.2365 8.6348 8.6348 10.5321 10.5321 11.5209 11.5209 11.7217 11.7217 12.2521 12.2521 k = 0.1792 0.1035 0.1861 ( 3604 PWs) bands (ev): -45.8172 -45.8172 -23.3234 -23.3234 -21.2450 -21.2450 -21.1779 -21.1779 -5.7219 -5.7219 -5.6898 -5.6898 -4.9164 -4.9164 -4.8524 -4.8524 -4.7805 -4.7805 -4.3933 -4.3933 -3.7623 -3.7623 2.6700 2.6700 3.9034 3.9034 6.3641 6.3641 6.9954 6.9954 7.7474 7.7474 7.7665 7.7665 8.2085 8.2085 8.6439 8.6439 10.4850 10.4850 11.5043 11.5043 11.7452 11.7452 12.2861 12.2861 k = 0.1887 0.1089 0.1861 ( 3604 PWs) bands (ev): -45.8166 -45.8166 -23.3253 -23.3253 -21.2468 -21.2468 -21.1812 -21.1812 -5.7213 -5.7213 -5.6883 -5.6883 -4.9153 -4.9153 -4.8507 -4.8507 -4.7806 -4.7806 -4.3596 -4.3596 -3.7428 -3.7428 2.7192 2.7192 3.9451 3.9451 6.2692 6.2692 6.9108 6.9108 7.7030 7.7030 7.7852 7.7852 8.1810 8.1810 8.6503 8.6503 10.4451 10.4451 11.4887 11.4887 11.7717 11.7717 12.3194 12.3194 k = 0.1981 0.1144 0.1861 ( 3604 PWs) bands (ev): -45.8160 -45.8160 -23.3273 -23.3273 -21.2488 -21.2488 -21.1843 -21.1843 -5.7206 -5.7206 -5.6868 -5.6868 -4.9142 -4.9142 -4.8490 -4.8490 -4.7806 -4.7806 -4.3248 -4.3248 -3.7227 -3.7227 2.7708 2.7708 3.9877 3.9877 6.1736 6.1736 6.8244 6.8244 7.6572 7.6572 7.8045 7.8045 8.1546 8.1546 8.6537 8.6537 10.4130 10.4130 11.4742 11.4742 11.8003 11.8003 12.3518 12.3518 k = 0.2075 0.1198 0.1861 ( 3610 PWs) bands (ev): -45.8154 -45.8154 -23.3294 -23.3294 -21.2511 -21.2511 -21.1872 -21.1872 -5.7200 -5.7200 -5.6854 -5.6854 -4.9131 -4.9131 -4.8476 -4.8476 -4.7804 -4.7804 -4.2889 -4.2889 -3.7020 -3.7020 2.8246 2.8246 4.0308 4.0308 6.0776 6.0776 6.7365 6.7365 7.6113 7.6113 7.8225 7.8225 8.1302 8.1302 8.6537 8.6537 10.3891 10.3891 11.4612 11.4612 11.8302 11.8302 12.3830 12.3830 k = 0.2170 0.1253 0.1861 ( 3612 PWs) bands (ev): -45.8148 -45.8148 -23.3315 -23.3315 -21.2536 -21.2536 -21.1900 -21.1900 -5.7195 -5.7195 -5.6840 -5.6840 -4.9119 -4.9119 -4.8463 -4.8463 -4.7798 -4.7798 -4.2520 -4.2520 -3.6807 -3.6807 2.8807 2.8807 4.0744 4.0744 5.9816 5.9816 6.6474 6.6474 7.5657 7.5657 7.8385 7.8385 8.1085 8.1085 8.6502 8.6502 10.3738 10.3738 11.4498 11.4498 11.8602 11.8602 12.4130 12.4130 k = 0.2264 0.1307 0.1861 ( 3608 PWs) bands (ev): -45.8142 -45.8142 -23.3336 -23.3336 -21.2564 -21.2564 -21.1925 -21.1925 -5.7189 -5.7189 -5.6825 -5.6825 -4.9107 -4.9107 -4.8452 -4.8452 -4.7790 -4.7790 -4.2142 -4.2142 -3.6589 -3.6589 2.9390 2.9390 4.1180 4.1180 5.8859 5.8859 6.5576 6.5576 7.5205 7.5205 7.8514 7.8514 8.0907 8.0907 8.6433 8.6433 10.3673 10.3673 11.4402 11.4402 11.8886 11.8886 12.4416 12.4416 k = 0.2358 0.1362 0.1861 ( 3608 PWs) bands (ev): -45.8135 -45.8135 -23.3358 -23.3358 -21.2594 -21.2594 -21.1949 -21.1949 -5.7184 -5.7184 -5.6810 -5.6810 -4.9095 -4.9095 -4.8443 -4.8443 -4.7778 -4.7778 -4.1757 -4.1757 -3.6367 -3.6367 2.9994 2.9994 4.1613 4.1613 5.7910 5.7910 6.4672 6.4672 7.4758 7.4758 7.8602 7.8602 8.0779 8.0779 8.6331 8.6331 10.3694 10.3694 11.4326 11.4326 11.9130 11.9130 12.4687 12.4687 k = 0.2453 0.1416 0.1861 ( 3606 PWs) bands (ev): -45.8129 -45.8129 -23.3380 -23.3380 -21.2626 -21.2626 -21.1970 -21.1970 -5.7179 -5.7179 -5.6796 -5.6796 -4.9082 -4.9082 -4.8437 -4.8437 -4.7764 -4.7764 -4.1365 -4.1365 -3.6141 -3.6141 3.0618 3.0618 4.2041 4.2041 5.6972 5.6972 6.3768 6.3768 7.4317 7.4317 7.8639 7.8639 8.0709 8.0709 8.6200 8.6200 10.3799 10.3799 11.4271 11.4271 11.9296 11.9296 12.4940 12.4940 k = 0.2547 0.1471 0.1861 ( 3608 PWs) bands (ev): -45.8122 -45.8122 -23.3402 -23.3402 -21.2661 -21.2661 -21.1989 -21.1989 -5.7175 -5.7175 -5.6783 -5.6783 -4.9069 -4.9069 -4.8433 -4.8433 -4.7746 -4.7746 -4.0968 -4.0968 -3.5912 -3.5912 3.1261 3.1261 4.2458 4.2458 5.6051 5.6051 6.2866 6.2866 7.3885 7.3885 7.8624 7.8624 8.0700 8.0700 8.6045 8.6045 10.3985 10.3985 11.4238 11.4238 11.9323 11.9323 12.5176 12.5176 k = 0.2642 0.1525 0.1861 ( 3602 PWs) bands (ev): -45.8115 -45.8115 -23.3424 -23.3424 -21.2697 -21.2697 -21.2006 -21.2006 -5.7170 -5.7170 -5.6769 -5.6769 -4.9056 -4.9056 -4.8432 -4.8432 -4.7725 -4.7725 -4.0566 -4.0566 -3.5681 -3.5681 3.1923 3.1923 4.2860 4.2860 5.5150 5.5150 6.1971 6.1971 7.3462 7.3462 7.8563 7.8563 8.0745 8.0745 8.5872 8.5872 10.4247 10.4247 11.4226 11.4226 11.9118 11.9118 12.5390 12.5390 k = 0.2736 0.1580 0.1861 ( 3618 PWs) bands (ev): -45.8110 -45.8110 -23.3446 -23.3446 -21.2735 -21.2735 -21.2021 -21.2021 -5.7168 -5.7168 -5.6757 -5.6757 -4.9044 -4.9044 -4.8433 -4.8433 -4.7704 -4.7704 -4.0161 -4.0161 -3.5448 -3.5448 3.2601 3.2601 4.3240 4.3240 5.4278 5.4278 6.1086 6.1086 7.3049 7.3049 7.8471 7.8471 8.0828 8.0828 8.5687 8.5687 10.4578 10.4578 11.4236 11.4236 11.8569 11.8569 12.5574 12.5574 k = 0.2830 0.1634 0.1861 ( 3618 PWs) bands (ev): -45.8104 -45.8104 -23.3468 -23.3468 -21.2774 -21.2774 -21.2034 -21.2034 -5.7165 -5.7165 -5.6745 -5.6745 -4.9031 -4.9031 -4.8435 -4.8435 -4.7679 -4.7679 -3.9755 -3.9755 -3.5215 -3.5215 3.3293 3.3293 4.3591 4.3591 5.3441 5.3441 6.0216 6.0216 7.2647 7.2647 7.8361 7.8361 8.0937 8.0937 8.5496 8.5496 10.4973 10.4973 11.4265 11.4265 11.7617 11.7617 12.5675 12.5675 k = 0.2925 0.1688 0.1861 ( 3624 PWs) bands (ev): -45.8098 -45.8098 -23.3490 -23.3490 -21.2813 -21.2813 -21.2045 -21.2045 -5.7162 -5.7162 -5.6733 -5.6733 -4.9018 -4.9018 -4.8439 -4.8439 -4.7653 -4.7653 -3.9348 -3.9348 -3.4981 -3.4981 3.3999 3.3999 4.3904 4.3904 5.2649 5.2649 5.9363 5.9363 7.2257 7.2257 7.8243 7.8243 8.1060 8.1060 8.5307 8.5307 10.5424 10.5424 11.4304 11.4304 11.6322 11.6322 12.5616 12.5616 k = 0.3019 0.1743 0.1861 ( 3620 PWs) bands (ev): -45.8092 -45.8092 -23.3511 -23.3511 -21.2854 -21.2854 -21.2055 -21.2055 -5.7160 -5.7160 -5.6722 -5.6722 -4.9005 -4.9005 -4.8444 -4.8444 -4.7625 -4.7625 -3.8943 -3.8943 -3.4749 -3.4749 3.4716 3.4716 4.4166 4.4166 5.1915 5.1915 5.8531 5.8531 7.1880 7.1880 7.8125 7.8125 8.1189 8.1189 8.5123 8.5123 10.5927 10.5927 11.4233 11.4233 11.4920 11.4920 12.5636 12.5636 k = 0.3113 0.1797 0.1861 ( 3628 PWs) bands (ev): -45.8086 -45.8086 -23.3532 -23.3532 -21.2894 -21.2894 -21.2064 -21.2064 -5.7159 -5.7159 -5.6711 -5.6711 -4.8993 -4.8993 -4.8451 -4.8451 -4.7596 -4.7596 -3.8540 -3.8540 -3.4518 -3.4518 3.5441 3.5441 4.4361 4.4361 5.1254 5.1254 5.7725 5.7725 7.1516 7.1516 7.8013 7.8013 8.1318 8.1318 8.4951 8.4951 10.6473 10.6473 11.2965 11.2965 11.4601 11.4601 12.5785 12.5785 k = 0.3208 0.1852 0.1861 ( 3624 PWs) bands (ev): -45.8080 -45.8080 -23.3553 -23.3553 -21.2934 -21.2934 -21.2072 -21.2072 -5.7157 -5.7157 -5.6701 -5.6701 -4.8981 -4.8981 -4.8457 -4.8457 -4.7566 -4.7566 -3.8141 -3.8141 -3.4291 -3.4291 3.6172 3.6172 4.4470 4.4470 5.0687 5.0687 5.6949 5.6949 7.1167 7.1167 7.7911 7.7911 8.1444 8.1444 8.4794 8.4794 10.7052 10.7052 11.1248 11.1248 11.4691 11.4691 12.6011 12.6011 k = 0.3302 0.1906 0.1861 ( 3624 PWs) bands (ev): -45.8074 -45.8074 -23.3573 -23.3573 -21.2974 -21.2974 -21.2078 -21.2078 -5.7156 -5.7156 -5.6691 -5.6691 -4.8969 -4.8969 -4.8464 -4.8464 -4.7536 -4.7536 -3.7749 -3.7749 -3.4067 -3.4067 3.6903 3.6903 4.4476 4.4476 5.0232 5.0232 5.6206 5.6206 7.0832 7.0832 7.7820 7.7820 8.1565 8.1565 8.4655 8.4655 10.7635 10.7635 10.9513 10.9513 11.4824 11.4824 12.6260 12.6260 k = 0.3396 0.1961 0.1861 ( 3628 PWs) bands (ev): -45.8069 -45.8069 -23.3593 -23.3593 -21.3012 -21.3012 -21.2084 -21.2084 -5.7155 -5.7155 -5.6683 -5.6683 -4.8957 -4.8957 -4.8473 -4.8473 -4.7505 -4.7505 -3.7363 -3.7363 -3.3848 -3.3848 3.7632 3.7632 4.4365 4.4365 4.9901 4.9901 5.5500 5.5500 7.0512 7.0512 7.7744 7.7744 8.1678 8.1678 8.4537 8.4537 10.7496 10.7496 10.8524 10.8524 11.4978 11.4978 12.6472 12.6472 k = 0.3491 0.2015 0.1861 ( 3628 PWs) bands (ev): -45.8064 -45.8064 -23.3612 -23.3612 -21.3050 -21.3050 -21.2089 -21.2089 -5.7154 -5.7154 -5.6675 -5.6675 -4.8945 -4.8945 -4.8480 -4.8480 -4.7475 -4.7475 -3.6987 -3.6987 -3.3634 -3.3634 3.8352 3.8352 4.4141 4.4141 4.9694 4.9694 5.4836 5.4836 7.0209 7.0209 7.7683 7.7683 8.1782 8.1782 8.4440 8.4440 10.5843 10.5843 10.9088 10.9088 11.5149 11.5149 12.6615 12.6615 k = 0.3585 0.2070 0.1861 ( 3628 PWs) bands (ev): -45.8059 -45.8059 -23.3630 -23.3630 -21.3087 -21.3087 -21.2093 -21.2093 -5.7153 -5.7153 -5.6668 -5.6668 -4.8934 -4.8934 -4.8488 -4.8488 -4.7445 -4.7445 -3.6622 -3.6622 -3.3428 -3.3428 3.9057 3.9057 4.3822 4.3822 4.9594 4.9594 5.4220 5.4220 6.9921 6.9921 7.7639 7.7639 8.1878 8.1878 8.4367 8.4367 10.4123 10.4123 10.9769 10.9769 11.5333 11.5333 12.6713 12.6713 k = 0.3679 0.2124 0.1861 ( 3630 PWs) bands (ev): -45.8054 -45.8054 -23.3648 -23.3648 -21.3122 -21.3122 -21.2096 -21.2096 -5.7153 -5.7153 -5.6661 -5.6661 -4.8925 -4.8925 -4.8496 -4.8496 -4.7417 -4.7417 -3.6270 -3.6270 -3.3228 -3.3228 3.9738 3.9738 4.3437 4.3437 4.9576 4.9576 5.3655 5.3655 6.9650 6.9650 7.7612 7.7612 8.1965 8.1965 8.4315 8.4315 10.2429 10.2429 11.0476 11.0476 11.5527 11.5527 12.6787 12.6787 k = 0.3774 0.2179 0.1861 ( 3630 PWs) bands (ev): -45.8049 -45.8049 -23.3664 -23.3664 -21.3155 -21.3155 -21.2100 -21.2100 -5.7152 -5.7152 -5.6654 -5.6654 -4.8915 -4.8915 -4.8503 -4.8503 -4.7389 -4.7389 -3.5932 -3.5932 -3.3038 -3.3038 4.0382 4.0382 4.3020 4.3020 4.9612 4.9612 5.3149 5.3149 6.9397 6.9397 7.7605 7.7605 8.2042 8.2042 8.4285 8.4285 10.0779 10.0779 11.1196 11.1196 11.5728 11.5728 12.6844 12.6844 k = 0.3868 0.2233 0.1861 ( 3638 PWs) bands (ev): -45.8046 -45.8046 -23.3680 -23.3680 -21.3187 -21.3187 -21.2102 -21.2102 -5.7153 -5.7153 -5.6649 -5.6649 -4.8907 -4.8907 -4.8510 -4.8510 -4.7363 -4.7363 -3.5610 -3.5610 -3.2857 -3.2857 4.0960 4.0960 4.2613 4.2613 4.9681 4.9681 5.2705 5.2705 6.9161 6.9161 7.7619 7.7619 8.2111 8.2111 8.4274 8.4274 9.9181 9.9181 11.1923 11.1923 11.5933 11.5933 12.6890 12.6890 k = 0.3962 0.2288 0.1861 ( 3642 PWs) bands (ev): -45.8042 -45.8042 -23.3695 -23.3695 -21.3217 -21.3217 -21.2105 -21.2105 -5.7153 -5.7153 -5.6644 -5.6644 -4.8899 -4.8899 -4.8516 -4.8516 -4.7337 -4.7337 -3.5306 -3.5306 -3.2686 -3.2686 4.1373 4.1373 4.2328 4.2328 4.9767 4.9767 5.2331 5.2331 6.8943 6.8943 7.7653 7.7653 8.2170 8.2170 8.4280 8.4280 9.7644 9.7644 11.2648 11.2648 11.6139 11.6139 12.6927 12.6927 k = 0.4057 0.2342 0.1861 ( 3642 PWs) bands (ev): -45.8038 -45.8038 -23.3708 -23.3708 -21.3244 -21.3244 -21.2107 -21.2107 -5.7153 -5.7153 -5.6640 -5.6640 -4.8892 -4.8892 -4.8522 -4.8522 -4.7314 -4.7314 -3.5022 -3.5022 -3.2527 -3.2527 4.1347 4.1347 4.2438 4.2438 4.9858 4.9858 5.2031 5.2031 6.8742 6.8742 7.7710 7.7710 8.2220 8.2220 8.4301 8.4301 9.6175 9.6175 11.3368 11.3368 11.6343 11.6343 12.6955 12.6955 k = 0.4151 0.2397 0.1861 ( 3644 PWs) bands (ev): -45.8035 -45.8035 -23.3721 -23.3721 -21.3269 -21.3269 -21.2108 -21.2108 -5.7154 -5.7154 -5.6636 -5.6636 -4.8885 -4.8885 -4.8527 -4.8527 -4.7292 -4.7292 -3.4759 -3.4759 -3.2380 -3.2380 4.1032 4.1032 4.2797 4.2797 4.9948 4.9948 5.1805 5.1805 6.8561 6.8561 7.7789 7.7789 8.2261 8.2261 8.4333 8.4333 9.4782 9.4782 11.4073 11.4073 11.6542 11.6542 12.6978 12.6978 k = 0.4245 0.2451 0.1861 ( 3638 PWs) bands (ev): -45.8031 -45.8031 -23.3732 -23.3732 -21.3292 -21.3292 -21.2110 -21.2110 -5.7154 -5.7154 -5.6631 -5.6631 -4.8879 -4.8879 -4.8530 -4.8530 -4.7272 -4.7272 -3.4519 -3.4519 -3.2246 -3.2246 4.0675 4.0675 4.3157 4.3157 5.0037 5.0037 5.1653 5.1653 6.8397 6.8397 7.7891 7.7891 8.2291 8.2291 8.4375 8.4375 9.3476 9.3476 11.4754 11.4754 11.6735 11.6735 12.6994 12.6994 k = 0.4340 0.2505 0.1861 ( 3622 PWs) bands (ev): -45.8027 -45.8027 -23.3742 -23.3742 -21.3313 -21.3313 -21.2111 -21.2111 -5.7153 -5.7153 -5.6627 -5.6627 -4.8873 -4.8873 -4.8533 -4.8533 -4.7253 -4.7253 -3.4303 -3.4303 -3.2126 -3.2126 4.0335 4.0335 4.3464 4.3464 5.0124 5.0124 5.1566 5.1566 6.8253 6.8253 7.8015 7.8015 8.2311 8.2311 8.4421 8.4421 9.2266 9.2266 11.5400 11.5400 11.6921 11.6921 12.7006 12.7006 k = 0.4434 0.2560 0.1861 ( 3626 PWs) bands (ev): -45.8025 -45.8025 -23.3751 -23.3751 -21.3331 -21.3331 -21.2112 -21.2112 -5.7153 -5.7153 -5.6625 -5.6625 -4.8869 -4.8869 -4.8536 -4.8536 -4.7237 -4.7237 -3.4113 -3.4113 -3.2021 -3.2021 4.0027 4.0027 4.3706 4.3706 5.0209 5.0209 5.1533 5.1533 6.8127 6.8127 7.8159 7.8159 8.2319 8.2319 8.4469 8.4469 9.1165 9.1165 11.5993 11.5993 11.7103 11.7103 12.7015 12.7015 k = 0.4528 0.2614 0.1861 ( 3616 PWs) bands (ev): -45.8022 -45.8022 -23.3758 -23.3758 -21.3346 -21.3346 -21.2113 -21.2113 -5.7153 -5.7153 -5.6622 -5.6622 -4.8865 -4.8865 -4.8538 -4.8538 -4.7223 -4.7223 -3.3950 -3.3950 -3.1930 -3.1930 3.9759 3.9759 4.3887 4.3887 5.0291 5.0291 5.1540 5.1540 6.8021 6.8021 7.8317 7.8317 8.2315 8.2315 8.4517 8.4517 9.0187 9.0187 11.6507 11.6507 11.7293 11.7293 12.7020 12.7020 k = 0.4623 0.2669 0.1861 ( 3620 PWs) bands (ev): -45.8021 -45.8021 -23.3765 -23.3765 -21.3358 -21.3358 -21.2113 -21.2113 -5.7153 -5.7153 -5.6620 -5.6620 -4.8863 -4.8863 -4.8540 -4.8540 -4.7212 -4.7212 -3.3815 -3.3815 -3.1856 -3.1856 3.9535 3.9535 4.4014 4.4014 5.0366 5.0366 5.1573 5.1573 6.7934 6.7934 7.8481 7.8481 8.2300 8.2300 8.4560 8.4560 8.9350 8.9350 11.6896 11.6896 11.7519 11.7519 12.7023 12.7023 k = 0.4717 0.2723 0.1861 ( 3616 PWs) bands (ev): -45.8019 -45.8019 -23.3769 -23.3769 -21.3368 -21.3368 -21.2114 -21.2114 -5.7154 -5.7154 -5.6618 -5.6618 -4.8861 -4.8861 -4.8541 -4.8541 -4.7203 -4.7203 -3.3709 -3.3709 -3.1797 -3.1797 3.9359 3.9359 4.4099 4.4099 5.0430 5.0430 5.1617 5.1617 6.7866 6.7866 7.8640 7.8640 8.2276 8.2276 8.4596 8.4596 8.8671 8.8671 11.7134 11.7134 11.7787 11.7787 12.7025 12.7025 k = 0.4811 0.2778 0.1861 ( 3616 PWs) bands (ev): -45.8018 -45.8018 -23.3773 -23.3773 -21.3375 -21.3375 -21.2114 -21.2114 -5.7154 -5.7154 -5.6617 -5.6617 -4.8859 -4.8859 -4.8542 -4.8542 -4.7196 -4.7196 -3.3633 -3.3633 -3.1755 -3.1755 3.9231 3.9231 4.4151 4.4151 5.0477 5.0477 5.1660 5.1660 6.7817 6.7817 7.8775 7.8775 8.2248 8.2248 8.4624 8.4624 8.8169 8.8169 11.7264 11.7264 11.8036 11.8036 12.7026 12.7026 k = 0.4906 0.2832 0.1861 ( 3616 PWs) bands (ev): -45.8017 -45.8017 -23.3775 -23.3775 -21.3379 -21.3379 -21.2114 -21.2114 -5.7154 -5.7154 -5.6617 -5.6617 -4.8859 -4.8859 -4.8543 -4.8543 -4.7193 -4.7193 -3.3587 -3.3587 -3.1729 -3.1729 3.9154 3.9154 4.4178 4.4178 5.0507 5.0507 5.1690 5.1690 6.7788 6.7788 7.8867 7.8867 8.2226 8.2226 8.4641 8.4641 8.7860 8.7860 11.7331 11.7331 11.8205 11.8205 12.7026 12.7026 k = 0.5000 0.2887 0.1861 ( 3612 PWs) bands (ev): -45.8017 -45.8017 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7154 -5.7154 -5.6616 -5.6616 -4.8858 -4.8858 -4.8543 -4.8543 -4.7191 -4.7191 -3.3572 -3.3572 -3.1721 -3.1721 3.9128 3.9128 4.4187 4.4187 5.0517 5.0517 5.1701 5.1701 6.7778 6.7778 7.8900 7.8900 8.2217 8.2217 8.4647 8.4647 8.7756 8.7756 11.7352 11.7352 11.8265 11.8265 12.7026 12.7026 k = 0.5000 0.2887 0.1861 ( 3612 PWs) bands (ev): -45.8017 -45.8017 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7154 -5.7154 -5.6616 -5.6616 -4.8858 -4.8858 -4.8543 -4.8543 -4.7191 -4.7191 -3.3572 -3.3572 -3.1721 -3.1721 3.9128 3.9128 4.4187 4.4187 5.0517 5.0517 5.1701 5.1701 6.7778 6.7778 7.8900 7.8900 8.2217 8.2217 8.4647 8.4647 8.7756 8.7756 11.7352 11.7352 11.8265 11.8265 12.7026 12.7026 k = 0.4946 0.2980 0.1861 ( 3606 PWs) bands (ev): -45.8016 -45.8016 -23.3780 -23.3772 -21.3385 -21.3375 -21.2116 -21.2115 -5.7153 -5.7153 -5.6616 -5.6616 -4.8857 -4.8857 -4.8542 -4.8542 -4.7192 -4.7192 -3.3575 -3.3560 -3.1719 -3.1718 3.9134 3.9152 4.4184 4.4205 5.0515 5.0525 5.1696 5.1708 6.7712 6.7797 7.8914 7.8929 8.1867 8.2186 8.4614 8.4970 8.7758 8.7762 11.7256 11.7386 11.8165 11.8387 12.6953 12.6964 k = 0.4892 0.3073 0.1861 ( 3606 PWs) bands (ev): -45.8016 -45.8016 -23.3784 -23.3768 -21.3389 -21.3369 -21.2120 -21.2117 -5.7151 -5.7151 -5.6615 -5.6615 -4.8857 -4.8857 -4.8541 -4.8541 -4.7195 -4.7195 -3.3571 -3.3540 -3.1711 -3.1709 3.9169 3.9204 4.4195 4.4238 5.0519 5.0539 5.1692 5.1715 6.7600 6.7769 7.8971 7.8999 8.1296 8.1768 8.4876 8.5420 8.7767 8.7779 11.7118 11.7334 11.8116 11.8514 12.6744 12.6769 k = 0.4839 0.3166 0.1861 ( 3614 PWs) bands (ev): -45.8017 -45.8017 -23.3789 -23.3765 -21.3392 -21.3363 -21.2125 -21.2121 -5.7148 -5.7148 -5.6614 -5.6614 -4.8856 -4.8856 -4.8539 -4.8539 -4.7202 -4.7202 -3.3558 -3.3512 -3.1698 -3.1696 3.9233 3.9285 4.4220 4.4286 5.0529 5.0560 5.1690 5.1722 6.7443 6.7697 7.9071 7.9104 8.0612 8.1122 8.5278 8.5895 8.7785 8.7812 11.6948 11.7194 11.8121 11.8636 12.6408 12.6450 k = 0.4785 0.3259 0.1861 ( 3614 PWs) bands (ev): -45.8016 -45.8016 -23.3794 -23.3762 -21.3395 -21.3355 -21.2132 -21.2127 -5.7144 -5.7144 -5.6613 -5.6613 -4.8853 -4.8853 -4.8536 -4.8536 -4.7211 -4.7210 -3.3537 -3.3476 -3.1680 -3.1677 3.9326 3.9396 4.4259 4.4348 5.0545 5.0588 5.1689 5.1730 6.7245 6.7583 7.9208 7.9211 7.9889 8.0352 8.5718 8.6345 8.7813 8.7871 11.6751 11.6991 11.8160 11.8750 12.5956 12.6019 k = 0.4731 0.3352 0.1861 ( 3620 PWs) bands (ev): -45.8016 -45.8016 -23.3799 -23.3760 -21.3397 -21.3347 -21.2141 -21.2136 -5.7139 -5.7139 -5.6612 -5.6612 -4.8850 -4.8850 -4.8533 -4.8533 -4.7222 -4.7222 -3.3508 -3.3432 -3.1656 -3.1653 3.9447 3.9535 4.4311 4.4425 5.0565 5.0622 5.1691 5.1737 6.7008 6.7431 7.8871 7.9390 7.9501 7.9584 8.6154 8.6736 8.7854 8.7976 11.6532 11.6749 11.8213 11.8854 12.5401 12.5489 k = 0.4677 0.3445 0.1861 ( 3632 PWs) bands (ev): -45.8017 -45.8016 -23.3804 -23.3758 -21.3398 -21.3338 -21.2152 -21.2146 -5.7133 -5.7133 -5.6610 -5.6610 -4.8848 -4.8848 -4.8530 -4.8529 -4.7236 -4.7236 -3.3471 -3.3380 -3.1628 -3.1624 3.9597 3.9703 4.4375 4.4515 5.0590 5.0662 5.1696 5.1744 6.6738 6.7245 7.8032 7.8586 7.9607 7.9764 8.6564 8.7036 8.7917 8.8159 11.6296 11.6482 11.8269 11.8947 12.4756 12.4871 k = 0.4624 0.3539 0.1861 ( 3630 PWs) bands (ev): -45.8016 -45.8016 -23.3810 -23.3756 -21.3399 -21.3328 -21.2164 -21.2158 -5.7125 -5.7125 -5.6608 -5.6608 -4.8843 -4.8843 -4.8525 -4.8525 -4.7252 -4.7251 -3.3427 -3.3322 -3.1595 -3.1591 3.9774 3.9899 4.4451 4.4620 5.0618 5.0708 5.1704 5.1749 6.6439 6.7030 7.7106 7.7621 7.9858 8.0021 8.6927 8.7228 8.8019 8.8434 11.6046 11.6201 11.8320 11.9027 12.4033 12.4179 k = 0.4570 0.3632 0.1861 ( 3638 PWs) bands (ev): -45.8015 -45.8015 -23.3816 -23.3754 -21.3399 -21.3318 -21.2178 -21.2171 -5.7117 -5.7117 -5.6605 -5.6605 -4.8839 -4.8839 -4.8519 -4.8519 -4.7270 -4.7269 -3.3376 -3.3256 -3.1558 -3.1553 3.9978 4.0123 4.4536 4.4737 5.0649 5.0760 5.1715 5.1753 6.6115 6.6790 7.6132 7.6613 8.0142 8.0317 8.7217 8.7338 8.8187 8.8778 11.5788 11.5913 11.8362 11.9093 12.3244 12.3422 k = 0.4516 0.3725 0.1861 ( 3634 PWs) bands (ev): -45.8014 -45.8014 -23.3822 -23.3753 -21.3399 -21.3307 -21.2192 -21.2187 -5.7107 -5.7107 -5.6601 -5.6601 -4.8833 -4.8833 -4.8512 -4.8512 -4.7289 -4.7288 -3.3319 -3.3185 -3.1516 -3.1510 4.0210 4.0375 4.4630 4.4865 5.0683 5.0817 5.1731 5.1755 6.5772 6.6530 7.5121 7.5568 8.0457 8.0646 8.7401 8.7416 8.8439 8.9158 11.5525 11.5624 11.8391 11.9143 12.2396 12.2611 k = 0.4462 0.3818 0.1861 ( 3634 PWs) bands (ev): -45.8013 -45.8013 -23.3828 -23.3752 -21.3398 -21.3295 -21.2208 -21.2203 -5.7098 -5.7098 -5.6597 -5.6597 -4.8827 -4.8827 -4.8505 -4.8504 -4.7310 -4.7310 -3.3255 -3.3107 -3.1471 -3.1464 4.0468 4.0655 4.4731 4.5005 5.0720 5.0879 5.1751 5.1755 6.5414 6.6254 7.4080 7.4492 8.0803 8.1006 8.7440 8.7543 8.8759 8.9554 11.5262 11.5337 11.8404 11.9173 12.1498 12.1750 k = 0.4409 0.3911 0.1861 ( 3636 PWs) bands (ev): -45.8012 -45.8012 -23.3834 -23.3752 -21.3397 -21.3283 -21.2225 -21.2222 -5.7088 -5.7088 -5.6594 -5.6593 -4.8820 -4.8820 -4.8497 -4.8497 -4.7333 -4.7332 -3.3185 -3.3024 -3.1422 -3.1415 4.0751 4.0962 4.4837 4.5154 5.0759 5.0945 5.1753 5.1776 6.5045 6.5966 7.3013 7.3391 8.1176 8.1394 8.7466 8.7629 8.9117 8.9957 11.5000 11.5055 11.8396 11.9179 12.0558 12.0848 k = 0.4355 0.4004 0.1861 ( 3630 PWs) bands (ev): -45.8010 -45.8010 -23.3840 -23.3751 -21.3396 -21.3270 -21.2242 -21.2241 -5.7078 -5.7077 -5.6589 -5.6588 -4.8812 -4.8812 -4.8487 -4.8487 -4.7357 -4.7357 -3.3111 -3.2937 -3.1370 -3.1362 4.1060 4.1295 4.4947 4.5310 5.0800 5.1016 5.1749 5.1808 6.4670 6.5669 7.1927 7.2269 8.1577 8.1808 8.7487 8.7695 8.9495 9.0365 11.4741 11.4781 11.8360 11.9128 11.9609 11.9912 k = 0.4301 0.4097 0.1861 ( 3630 PWs) bands (ev): -45.8009 -45.8009 -23.3846 -23.3751 -21.3395 -21.3257 -21.2262 -21.2261 -5.7067 -5.7067 -5.6583 -5.6583 -4.8804 -4.8804 -4.8477 -4.8477 -4.7383 -4.7383 -3.3032 -3.2845 -3.1315 -3.1307 4.1393 4.1653 4.5056 4.5473 5.0845 5.1090 5.1745 5.1845 6.4291 6.5367 7.0828 7.1133 8.2004 8.2248 8.7505 8.7753 8.9882 9.0776 11.4484 11.4517 11.8252 11.8473 11.8984 11.9203 k = 0.4247 0.4190 0.1861 ( 3628 PWs) bands (ev): -45.8008 -45.8008 -23.3853 -23.3752 -21.3393 -21.3244 -21.2284 -21.2279 -5.7057 -5.7057 -5.6578 -5.6577 -4.8796 -4.8796 -4.8466 -4.8465 -4.7411 -4.7410 -3.2949 -3.2750 -3.1258 -3.1249 4.1749 4.2037 4.5164 4.5639 5.0896 5.1167 5.1741 5.1888 6.3913 6.5060 6.9721 6.9987 8.2457 8.2713 8.7523 8.7810 9.0276 9.1189 11.4227 11.4262 11.7424 11.7702 11.8434 11.9133 k = 0.4194 0.4284 0.1861 ( 3628 PWs) bands (ev): -45.8006 -45.8006 -23.3859 -23.3752 -21.3391 -21.3230 -21.2306 -21.2298 -5.7047 -5.7047 -5.6572 -5.6572 -4.8788 -4.8788 -4.8453 -4.8453 -4.7440 -4.7439 -3.2862 -3.2652 -3.1199 -3.1190 4.2127 4.2446 4.5266 4.5805 5.0953 5.1246 5.1738 5.1936 6.3537 6.4751 6.8614 6.8837 8.2934 8.3202 8.7545 8.7870 9.0673 9.1605 11.3958 11.4016 11.6331 11.6687 11.8285 11.9060 k = 0.4140 0.4377 0.1861 ( 3630 PWs) bands (ev): -45.8005 -45.8005 -23.3865 -23.3753 -21.3389 -21.3216 -21.2330 -21.2316 -5.7037 -5.7037 -5.6566 -5.6566 -4.8779 -4.8779 -4.8441 -4.8440 -4.7470 -4.7469 -3.2774 -3.2552 -3.1139 -3.1129 4.2525 4.2879 4.5361 4.5970 5.1019 5.1328 5.1740 5.1990 6.3166 6.4439 6.7513 6.7687 8.3435 8.3713 8.7573 8.7937 9.1071 9.2023 11.3634 11.3770 11.5252 11.5579 11.8171 11.8972 k = 0.4086 0.4470 0.1861 ( 3630 PWs) bands (ev): -45.8004 -45.8004 -23.3871 -23.3754 -21.3388 -21.3201 -21.2353 -21.2335 -5.7028 -5.7028 -5.6560 -5.6559 -4.8770 -4.8770 -4.8427 -4.8426 -4.7500 -4.7499 -3.2684 -3.2451 -3.1078 -3.1068 4.2943 4.3335 4.5445 4.6128 5.1096 5.1410 5.1748 5.2048 6.2801 6.4118 6.6430 6.6544 8.3959 8.4247 8.7608 8.8014 9.1470 9.2442 11.3096 11.3485 11.4347 11.4462 11.8051 11.8870 k = 0.4032 0.4563 0.1861 ( 3632 PWs) bands (ev): -45.8003 -45.8003 -23.3877 -23.3755 -21.3386 -21.3187 -21.2377 -21.2353 -5.7019 -5.7019 -5.6554 -5.6553 -4.8761 -4.8761 -4.8412 -4.8411 -4.7531 -4.7530 -3.2593 -3.2350 -3.1017 -3.1007 4.3378 4.3813 4.5518 4.6278 5.1188 5.1491 5.1768 5.2111 6.2443 6.3772 6.5389 6.5412 8.4503 8.4801 8.7655 8.8105 9.1868 9.2861 11.2135 11.2859 11.3645 11.3828 11.7921 11.8756 k = 0.3978 0.4656 0.1861 ( 3640 PWs) bands (ev): -45.8002 -45.8002 -23.3883 -23.3756 -21.3385 -21.3173 -21.2401 -21.2370 -5.7012 -5.7012 -5.6548 -5.6547 -4.8753 -4.8753 -4.8396 -4.8396 -4.7564 -4.7563 -3.2503 -3.2250 -3.0956 -3.0946 4.3826 4.4312 4.5579 4.6415 5.1294 5.1569 5.1803 5.2177 6.2088 6.3342 6.4300 6.4454 8.5065 8.5374 8.7715 8.8214 9.2262 9.3278 11.0910 11.1695 11.3331 11.3540 11.7780 11.8632 k = 0.3925 0.4749 0.1861 ( 3640 PWs) bands (ev): -45.8001 -45.8001 -23.3889 -23.3758 -21.3383 -21.3159 -21.2424 -21.2386 -5.7004 -5.7004 -5.6541 -5.6541 -4.8744 -4.8744 -4.8380 -4.8379 -4.7595 -4.7594 -3.2413 -3.2152 -3.0897 -3.0886 4.4282 4.4831 4.5629 4.6535 5.1417 5.1639 5.1861 5.2245 6.1727 6.2689 6.3224 6.3769 8.5642 8.5963 8.7794 8.8347 9.2650 9.3691 10.9579 11.0391 11.3130 11.3331 11.7632 11.8502 k = 0.3871 0.4842 0.1861 ( 3644 PWs) bands (ev): -45.8000 -45.8000 -23.3894 -23.3759 -21.3382 -21.3145 -21.2447 -21.2402 -5.6998 -5.6998 -5.6535 -5.6535 -4.8736 -4.8735 -4.8363 -4.8362 -4.7627 -4.7626 -3.2326 -3.2057 -3.0839 -3.0828 4.4734 4.5368 4.5679 4.6637 5.1556 5.1701 5.1944 5.2317 6.1319 6.1813 6.2229 6.3341 8.6226 8.6563 8.7896 8.8513 9.3028 9.4095 10.8193 10.9036 11.2962 11.3159 11.7479 11.8369 k = 0.3817 0.4935 0.1861 ( 3650 PWs) bands (ev): -45.7999 -45.7999 -23.3899 -23.3761 -21.3382 -21.3132 -21.2469 -21.2416 -5.6992 -5.6992 -5.6530 -5.6529 -4.8728 -4.8728 -4.8345 -4.8345 -4.7658 -4.7657 -3.2242 -3.1965 -3.0784 -3.0773 4.5141 4.5767 4.5921 4.6719 5.1709 5.1758 5.2049 5.2392 6.0699 6.0867 6.1486 6.3023 8.6804 8.7161 8.8035 8.8726 9.3394 9.4488 10.6772 10.7654 11.2814 11.3011 11.7324 11.8236 k = 0.3763 0.5029 0.1861 ( 3650 PWs) bands (ev): -45.7998 -45.7998 -23.3904 -23.3763 -21.3381 -21.3119 -21.2490 -21.2430 -5.6986 -5.6986 -5.6524 -5.6523 -4.8720 -4.8720 -4.8327 -4.8327 -4.7688 -4.7687 -3.2162 -3.1878 -3.0731 -3.0720 4.5389 4.6003 4.6482 4.6787 5.1813 5.1873 5.2171 5.2471 5.9813 5.9924 6.1055 6.2750 8.7357 8.7711 8.8254 8.9007 9.3742 9.4864 10.5331 10.6263 11.2685 11.2883 11.7171 11.8106 k = 0.3710 0.5122 0.1861 ( 3644 PWs) bands (ev): -45.7997 -45.7996 -23.3908 -23.3764 -21.3381 -21.3108 -21.2510 -21.2441 -5.6981 -5.6981 -5.6518 -5.6518 -4.8712 -4.8712 -4.8310 -4.8309 -4.7715 -4.7714 -3.2087 -3.1798 -3.0683 -3.0671 4.5459 4.6404 4.6794 4.7094 5.1867 5.2042 5.2305 5.2556 5.8866 5.9011 6.0738 6.2502 8.7856 8.8097 8.8666 8.9385 9.4068 9.5217 10.3883 10.4879 11.2574 11.2774 11.7022 11.7982 k = 0.3656 0.5215 0.1861 ( 3644 PWs) bands (ev): -45.7996 -45.7995 -23.3912 -23.3766 -21.3382 -21.3097 -21.2527 -21.2451 -5.6977 -5.6977 -5.6514 -5.6513 -4.8705 -4.8705 -4.8292 -4.8292 -4.7742 -4.7741 -3.2019 -3.1724 -3.0638 -3.0627 4.5461 4.6823 4.6855 4.7674 5.1921 5.2208 5.2445 5.2650 5.7939 5.8144 6.0466 6.2277 8.8284 8.8353 8.9231 8.9875 9.4366 9.5543 10.2442 10.3522 11.2482 11.2684 11.6879 11.7866 k = 0.3602 0.5308 0.1861 ( 3644 PWs) bands (ev): -45.7995 -45.7995 -23.3916 -23.3767 -21.3382 -21.3088 -21.2543 -21.2460 -5.6974 -5.6974 -5.6509 -5.6509 -4.8699 -4.8699 -4.8276 -4.8276 -4.7766 -4.7765 -3.1958 -3.1659 -3.0599 -3.0588 4.5440 4.6829 4.7302 4.8264 5.1974 5.2364 5.2580 5.2755 5.7060 5.7336 6.0224 6.2073 8.8590 8.8649 8.9820 9.0466 9.4631 9.5833 10.1020 10.2217 11.2411 11.2613 11.6746 11.7759 k = 0.3548 0.5401 0.1861 ( 3644 PWs) bands (ev): -45.7994 -45.7994 -23.3918 -23.3768 -21.3383 -21.3081 -21.2555 -21.2467 -5.6971 -5.6971 -5.6506 -5.6505 -4.8694 -4.8694 -4.8262 -4.8262 -4.7787 -4.7786 -3.1906 -3.1603 -3.0566 -3.0554 4.5410 4.6823 4.7720 4.8847 5.2027 5.2502 5.2694 5.2873 5.6251 5.6603 6.0012 6.1893 8.8842 8.8974 9.0377 9.1126 9.4857 9.6081 9.9637 10.0999 11.2362 11.2563 11.6626 11.7665 k = 0.3495 0.5494 0.1861 ( 3648 PWs) bands (ev): -45.7994 -45.7994 -23.3921 -23.3769 -21.3384 -21.3075 -21.2566 -21.2473 -5.6970 -5.6969 -5.6503 -5.6502 -4.8690 -4.8690 -4.8250 -4.8250 -4.7805 -4.7804 -3.1864 -3.1558 -3.0539 -3.0527 4.5379 4.6810 4.8085 4.9402 5.2081 5.2621 5.2762 5.2997 5.5547 5.5967 5.9834 6.1743 8.9111 8.9276 9.0857 9.1818 9.5039 9.6281 9.8320 9.9919 11.2334 11.2531 11.6522 11.7585 k = 0.3441 0.5587 0.1861 ( 3652 PWs) bands (ev): -45.7994 -45.7994 -23.3923 -23.3770 -21.3384 -21.3071 -21.2573 -21.2477 -5.6969 -5.6968 -5.6501 -5.6501 -4.8688 -4.8688 -4.8241 -4.8241 -4.7818 -4.7816 -3.1832 -3.1524 -3.0519 -3.0507 4.5352 4.6795 4.8372 4.9896 5.2144 5.2718 5.2750 5.3112 5.4999 5.5459 5.9698 6.1629 8.9390 8.9551 9.1201 9.2499 9.5173 9.6428 9.7123 9.9051 11.2324 11.2516 11.6438 11.7522 k = 0.3387 0.5680 0.1861 ( 3656 PWs) bands (ev): -45.7994 -45.7994 -23.3924 -23.3771 -21.3385 -21.3068 -21.2578 -21.2479 -5.6968 -5.6968 -5.6500 -5.6500 -4.8686 -4.8686 -4.8236 -4.8236 -4.7826 -4.7825 -3.1813 -3.1504 -3.0506 -3.0495 4.5334 4.6784 4.8556 5.0260 5.2222 5.2651 5.2787 5.3201 5.4663 5.5121 5.9610 6.1555 8.9645 8.9775 9.1357 9.3069 9.5257 9.6179 9.6517 9.8490 11.2326 11.2513 11.6381 11.7480 k = 0.3333 0.5774 0.1861 ( 3660 PWs) bands (ev): -45.7994 -45.7994 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2480 -5.6968 -5.6968 -5.6500 -5.6500 -4.8686 -4.8686 -4.8234 -4.8234 -4.7829 -4.7828 -3.1806 -3.1496 -3.0502 -3.0490 4.5327 4.6779 4.8618 5.0399 5.2278 5.2568 5.2811 5.3235 5.4556 5.5002 5.9579 6.1529 8.9773 8.9876 9.1366 9.3303 9.5288 9.5789 9.6547 9.8301 11.2330 11.2514 11.6360 11.7465 k = 0.3333 0.5774 0.1861 ( 3660 PWs) bands (ev): -45.7994 -45.7994 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2480 -5.6968 -5.6968 -5.6500 -5.6500 -4.8686 -4.8686 -4.8234 -4.8234 -4.7829 -4.7828 -3.1806 -3.1496 -3.0502 -3.0490 4.5327 4.6779 4.8618 5.0399 5.2278 5.2568 5.2811 5.3235 5.4556 5.5002 5.9579 6.1529 8.9773 8.9876 9.1366 9.3303 9.5288 9.5789 9.6547 9.8301 11.2330 11.2514 11.6360 11.7465 k = 0.3279 0.5679 0.1861 ( 3652 PWs) bands (ev): -45.7994 -45.7993 -23.3924 -23.3771 -21.3385 -21.3068 -21.2578 -21.2479 -5.6968 -5.6968 -5.6500 -5.6499 -4.8686 -4.8686 -4.8236 -4.8235 -4.7826 -4.7824 -3.1813 -3.1504 -3.0506 -3.0495 4.5335 4.6785 4.8557 5.0260 5.2227 5.2645 5.2787 5.3198 5.4661 5.5120 5.9612 6.1557 8.9566 8.9719 9.1453 9.3179 9.5259 9.6125 9.6516 9.8476 11.2320 11.2509 11.6385 11.7483 k = 0.3224 0.5584 0.1861 ( 3648 PWs) bands (ev): -45.7993 -45.7993 -23.3922 -23.3770 -21.3384 -21.3070 -21.2573 -21.2477 -5.6968 -5.6968 -5.6501 -5.6500 -4.8688 -4.8688 -4.8240 -4.8240 -4.7818 -4.7817 -3.1836 -3.1528 -3.0521 -3.0509 4.5361 4.6806 4.8388 4.9914 5.2166 5.2715 5.2720 5.3097 5.4970 5.5437 5.9713 6.1643 8.8964 8.9198 9.1763 9.3146 9.5180 9.6426 9.6842 9.8936 11.2281 11.2484 11.6469 11.7543 k = 0.3169 0.5490 0.1861 ( 3644 PWs) bands (ev): -45.7994 -45.7993 -23.3920 -23.3769 -21.3382 -21.3073 -21.2567 -21.2473 -5.6969 -5.6969 -5.6503 -5.6502 -4.8692 -4.8691 -4.8247 -4.8247 -4.7807 -4.7806 -3.1875 -3.1569 -3.0545 -3.0533 4.5407 4.6844 4.8143 4.9472 5.2118 5.2620 5.2673 5.2951 5.5456 5.5894 5.9880 6.1786 8.8134 8.8389 9.2225 9.3364 9.5057 9.6279 9.7703 9.9592 11.2197 11.2425 11.6619 11.7651 k = 0.3115 0.5395 0.1861 ( 3638 PWs) bands (ev): -45.7994 -45.7994 -23.3917 -23.3767 -21.3379 -21.3076 -21.2558 -21.2468 -5.6970 -5.6970 -5.6506 -5.6505 -4.8696 -4.8696 -4.8255 -4.8255 -4.7793 -4.7792 -3.1931 -3.1628 -3.0579 -3.0568 4.5475 4.6901 4.7853 4.9003 5.2067 5.2465 5.2521 5.2792 5.6065 5.6445 6.0105 6.1985 8.7207 8.7443 9.2779 9.3750 9.4906 9.6080 9.8634 10.0376 11.2056 11.2321 11.6836 11.7811 k = 0.3060 0.5300 0.1861 ( 3642 PWs) bands (ev): -45.7995 -45.7995 -23.3914 -23.3765 -21.3376 -21.3080 -21.2547 -21.2463 -5.6973 -5.6973 -5.6510 -5.6509 -4.8704 -4.8703 -4.8265 -4.8265 -4.7778 -4.7777 -3.2005 -3.1706 -3.0625 -3.0613 4.5565 4.6978 4.7548 4.8544 5.1982 5.2220 5.2305 5.2660 5.6751 5.7063 6.0380 6.2232 8.6250 8.6457 9.3399 9.4153 9.4816 9.5837 9.9609 10.1250 11.1854 11.2164 11.7116 11.8022 k = 0.3005 0.5206 0.1861 ( 3642 PWs) bands (ev): -45.7996 -45.7996 -23.3909 -23.3762 -21.3371 -21.3083 -21.2535 -21.2456 -5.6976 -5.6975 -5.6514 -5.6513 -4.8712 -4.8712 -4.8274 -4.8274 -4.7761 -4.7760 -3.2097 -3.1803 -3.0681 -3.0670 4.5676 4.7072 4.7249 4.8114 5.1785 5.1887 5.2122 5.2555 5.7486 5.7729 6.0696 6.2522 8.5302 8.5482 9.4073 9.4197 9.5134 9.5558 10.0616 10.2188 11.1593 11.1949 11.7446 11.8279 k = 0.2951 0.5111 0.1861 ( 3642 PWs) bands (ev): -45.7998 -45.7998 -23.3903 -23.3758 -21.3364 -21.3086 -21.2521 -21.2448 -5.6978 -5.6978 -5.6520 -5.6519 -4.8722 -4.8722 -4.8283 -4.8283 -4.7745 -4.7743 -3.2208 -3.1919 -3.0749 -3.0737 4.5804 4.6974 4.7175 4.7731 5.1448 5.1489 5.2016 5.2459 5.8254 5.8430 6.1042 6.2847 8.4385 8.4542 9.3966 9.4784 9.5261 9.5764 10.1647 10.3175 11.1278 11.1680 11.7812 11.8572 k = 0.2896 0.5016 0.1861 ( 3646 PWs) bands (ev): -45.8000 -45.8000 -23.3896 -23.3754 -21.3357 -21.3087 -21.2506 -21.2440 -5.6982 -5.6981 -5.6526 -5.6525 -4.8734 -4.8734 -4.8292 -4.8292 -4.7728 -4.7727 -3.2339 -3.2056 -3.0828 -3.0817 4.5936 4.6745 4.7209 4.7468 5.1042 5.1047 5.1931 5.2362 5.9044 5.9158 6.1410 6.3197 8.3516 8.3655 9.3667 9.4883 9.5601 9.6495 10.2699 10.4200 11.0915 11.1360 11.8197 11.8888 k = 0.2842 0.4922 0.1861 ( 3634 PWs) bands (ev): -45.8001 -45.8001 -23.3889 -23.3749 -21.3347 -21.3088 -21.2491 -21.2431 -5.6984 -5.6984 -5.6532 -5.6531 -4.8746 -4.8746 -4.8298 -4.8298 -4.7711 -4.7710 -3.2489 -3.2212 -3.0919 -3.0907 4.6032 4.6602 4.6992 4.7497 5.0560 5.0628 5.1844 5.2259 5.9851 5.9907 6.1791 6.3567 8.2703 8.2829 9.3339 9.4537 9.6415 9.7290 10.3767 10.5254 11.0514 11.0997 11.8586 11.9213 k = 0.2787 0.4827 0.1861 ( 3634 PWs) bands (ev): -45.8003 -45.8003 -23.3880 -23.3743 -21.3336 -21.3088 -21.2474 -21.2421 -5.6988 -5.6988 -5.6539 -5.6538 -4.8760 -4.8760 -4.8304 -4.8304 -4.7696 -4.7695 -3.2659 -3.2390 -3.1021 -3.1010 4.6023 4.6608 4.6739 4.7573 5.0061 5.0236 5.1748 5.2150 6.0669 6.0670 6.2180 6.3947 8.1956 8.2073 9.2993 9.4173 9.7280 9.8140 10.4843 10.6328 11.0085 11.0602 11.8963 11.9533 k = 0.2732 0.4732 0.1861 ( 3634 PWs) bands (ev): -45.8006 -45.8005 -23.3870 -23.3737 -21.3323 -21.3086 -21.2458 -21.2410 -5.6992 -5.6992 -5.6546 -5.6545 -4.8774 -4.8774 -4.8309 -4.8309 -4.7683 -4.7682 -3.2849 -3.2587 -3.1135 -3.1123 4.5932 4.6516 4.6718 4.7570 4.9575 4.9937 5.1642 5.2033 6.1443 6.1493 6.2573 6.4333 8.1279 8.1389 9.2637 9.3801 9.8190 9.9038 10.5915 10.7403 10.9652 11.0191 11.9312 11.9833 k = 0.2678 0.4638 0.1861 ( 3630 PWs) bands (ev): -45.8008 -45.8008 -23.3859 -23.3730 -21.3308 -21.3082 -21.2440 -21.2400 -5.6997 -5.6997 -5.6554 -5.6553 -4.8789 -4.8789 -4.8313 -4.8313 -4.7670 -4.7669 -3.3058 -3.2804 -3.1260 -3.1248 4.5826 4.6324 4.6816 4.7412 4.9155 4.9810 5.1527 5.1910 6.2223 6.2313 6.2970 6.4717 8.0679 8.0783 9.2278 9.3427 9.9141 9.9982 10.6951 10.8352 10.9340 10.9802 11.9622 12.0100 k = 0.2623 0.4543 0.1861 ( 3630 PWs) bands (ev): -45.8011 -45.8011 -23.3848 -23.3722 -21.3292 -21.3077 -21.2423 -21.2388 -5.7001 -5.7001 -5.6562 -5.6562 -4.8805 -4.8805 -4.8316 -4.8316 -4.7660 -4.7659 -3.3287 -3.3041 -3.1396 -3.1384 4.5714 4.6142 4.6802 4.7097 4.8895 4.9883 5.1403 5.1783 6.3005 6.3080 6.3416 6.5097 8.0159 8.0255 9.1920 9.3056 10.0132 10.0969 10.7815 10.8421 10.9573 10.9910 11.9880 12.0321 k = 0.2568 0.4448 0.1861 ( 3624 PWs) bands (ev): -45.8014 -45.8013 -23.3835 -23.3712 -21.3273 -21.3070 -21.2405 -21.2377 -5.7006 -5.7006 -5.6571 -5.6570 -4.8821 -4.8821 -4.8318 -4.8318 -4.7652 -4.7651 -3.3534 -3.3298 -3.1542 -3.1531 4.5560 4.5902 4.6636 4.6736 4.8869 5.0110 5.1275 5.1658 6.3599 6.3781 6.4098 6.5471 7.9721 7.9807 9.1567 9.2693 10.1159 10.1997 10.7987 10.8081 10.9935 11.0984 12.0075 12.0486 k = 0.2514 0.4354 0.1861 ( 3628 PWs) bands (ev): -45.8018 -45.8017 -23.3821 -23.3703 -21.3253 -21.3061 -21.2387 -21.2365 -5.7011 -5.7011 -5.6580 -5.6579 -4.8838 -4.8838 -4.8320 -4.8319 -4.7646 -4.7645 -3.3799 -3.3573 -3.1700 -3.1689 4.5274 4.5488 4.6440 4.6498 4.9036 5.0428 5.1157 5.1546 6.3971 6.4543 6.4911 6.5842 7.9366 7.9440 9.1222 9.2338 10.2218 10.3064 10.7501 10.7795 11.0843 11.2117 12.0200 12.0585 k = 0.2459 0.4259 0.1861 ( 3624 PWs) bands (ev): -45.8021 -45.8021 -23.3806 -23.3692 -21.3230 -21.3050 -21.2369 -21.2353 -5.7016 -5.7016 -5.6589 -5.6589 -4.8853 -4.8853 -4.8320 -4.8320 -4.7642 -4.7642 -3.4082 -3.3865 -3.1867 -3.1856 4.4797 4.4901 4.6354 4.6412 4.9301 5.0718 5.1141 5.1469 6.4306 6.5264 6.5742 6.6232 7.9095 7.9151 9.0888 9.1995 10.3300 10.4165 10.7016 10.7356 11.1900 11.3260 12.0250 12.0612 k = 0.2404 0.4164 0.1861 ( 3624 PWs) bands (ev): -45.8025 -45.8025 -23.3790 -23.3681 -21.3206 -21.3038 -21.2352 -21.2341 -5.7022 -5.7022 -5.6599 -5.6598 -4.8870 -4.8870 -4.8321 -4.8320 -4.7640 -4.7640 -3.4382 -3.4175 -3.2044 -3.2033 4.4177 4.4221 4.6373 4.6409 4.9579 5.0728 5.1465 5.1466 6.4618 6.5885 6.6574 6.6694 7.8905 7.8938 9.0567 9.1666 10.4377 10.5294 10.6570 10.6885 11.2990 11.4398 12.0221 12.0564 k = 0.2350 0.4070 0.1861 ( 3616 PWs) bands (ev): -45.8029 -45.8028 -23.3774 -23.3668 -21.3180 -21.3023 -21.2334 -21.2328 -5.7027 -5.7027 -5.6608 -5.6608 -4.8885 -4.8885 -4.8320 -4.8319 -4.7641 -4.7640 -3.4697 -3.4500 -3.2229 -3.2219 4.3479 4.3493 4.6450 4.6455 4.9796 5.0623 5.1593 5.1967 6.4911 6.6344 6.7290 6.7400 7.8795 7.8797 9.0260 9.1351 10.5257 10.6245 10.6361 10.6612 11.4082 11.5518 12.0113 12.0438 k = 0.2295 0.3975 0.1861 ( 3612 PWs) bands (ev): -45.8033 -45.8033 -23.3756 -23.3655 -21.3152 -21.3007 -21.2316 -21.2315 -5.7033 -5.7033 -5.6618 -5.6617 -4.8901 -4.8901 -4.8319 -4.8319 -4.7643 -4.7643 -3.5028 -3.4841 -3.2423 -3.2414 4.2736 4.2737 4.6509 4.6565 4.9911 5.0520 5.1892 5.2534 6.5188 6.6677 6.7982 6.8219 7.8724 7.8758 8.9969 9.1050 10.5274 10.5876 10.7054 10.7691 11.5158 11.6606 11.9928 12.0239 k = 0.2240 0.3881 0.1861 ( 3614 PWs) bands (ev): -45.8038 -45.8038 -23.3738 -23.3641 -21.3122 -21.2989 -21.2302 -21.2298 -5.7040 -5.7040 -5.6628 -5.6628 -4.8916 -4.8916 -4.8318 -4.8318 -4.7648 -4.7647 -3.5372 -3.5195 -3.2625 -3.2616 4.1960 4.1969 4.6566 4.6678 4.9955 5.0448 5.2343 5.3147 6.5452 6.6946 6.8708 6.9026 7.8713 7.8790 8.9694 9.0763 10.4905 10.5414 10.8171 10.8894 11.6208 11.7647 11.9674 11.9970 k = 0.2186 0.3786 0.1861 ( 3610 PWs) bands (ev): -45.8042 -45.8042 -23.3718 -23.3626 -21.3091 -21.2969 -21.2289 -21.2280 -5.7046 -5.7046 -5.6638 -5.6638 -4.8931 -4.8931 -4.8318 -4.8317 -4.7654 -4.7654 -3.5729 -3.5562 -3.2834 -3.2825 4.1172 4.1184 4.6598 4.6763 4.9991 5.0430 5.2902 5.3802 6.5705 6.7181 6.9439 6.9820 7.8757 7.8883 8.9434 9.0491 10.4504 10.4967 10.9355 11.0111 11.7221 11.8621 11.9356 11.9640 k = 0.2131 0.3691 0.1861 ( 3614 PWs) bands (ev): -45.8048 -45.8048 -23.3699 -23.3611 -21.3059 -21.2947 -21.2276 -21.2262 -5.7053 -5.7053 -5.6649 -5.6649 -4.8946 -4.8946 -4.8317 -4.8317 -4.7663 -4.7663 -3.6097 -3.5940 -3.3050 -3.3041 4.0377 4.0391 4.6584 4.6791 5.0078 5.0487 5.3537 5.4495 6.5953 6.7396 7.0162 7.0596 7.8850 7.9030 8.9190 9.0230 10.4118 10.4542 11.0550 11.1325 11.8185 11.8985 11.9265 11.9509 k = 0.2077 0.3597 0.1861 ( 3610 PWs) bands (ev): -45.8053 -45.8053 -23.3678 -23.3595 -21.3025 -21.2924 -21.2262 -21.2243 -5.7060 -5.7060 -5.6659 -5.6659 -4.8960 -4.8960 -4.8317 -4.8316 -4.7673 -4.7673 -3.6476 -3.6328 -3.3271 -3.3263 3.9579 3.9593 4.6508 4.6739 5.0251 5.0634 5.4227 5.5222 6.6198 6.7601 7.0872 7.1353 7.8985 7.9222 8.8960 8.9981 10.3759 10.4145 11.1730 11.2516 11.8572 11.8775 11.9180 12.0295 k = 0.2022 0.3502 0.1861 ( 3610 PWs) bands (ev): -45.8059 -45.8058 -23.3656 -23.3578 -21.2989 -21.2900 -21.2248 -21.2225 -5.7067 -5.7067 -5.6670 -5.6670 -4.8973 -4.8973 -4.8316 -4.8316 -4.7685 -4.7684 -3.6863 -3.6725 -3.3498 -3.3490 3.8782 3.8795 4.6363 4.6600 5.0526 5.0877 5.4963 5.5981 6.6446 6.7802 7.1562 7.2085 7.9155 7.9451 8.8745 8.9742 10.3434 10.3780 11.2868 11.3657 11.8128 11.8358 12.0040 12.0980 k = 0.1967 0.3407 0.1861 ( 3606 PWs) bands (ev): -45.8064 -45.8064 -23.3634 -23.3561 -21.2953 -21.2874 -21.2233 -21.2207 -5.7074 -5.7074 -5.6681 -5.6680 -4.8987 -4.8986 -4.8316 -4.8316 -4.7697 -4.7697 -3.7258 -3.7130 -3.3729 -3.3721 3.7989 3.8000 4.6153 4.6382 5.0897 5.1211 5.5737 5.6770 6.6700 6.8005 7.2229 7.2790 7.9354 7.9711 8.8543 8.9511 10.3147 10.3448 11.3929 11.4710 11.7667 11.7891 12.0920 12.1591 k = 0.1913 0.3313 0.1861 ( 3602 PWs) bands (ev): -45.8070 -45.8069 -23.3612 -23.3543 -21.2916 -21.2847 -21.2218 -21.2188 -5.7081 -5.7081 -5.6692 -5.6691 -4.8999 -4.8999 -4.8316 -4.8316 -4.7711 -4.7711 -3.7659 -3.7540 -3.3963 -3.3956 3.7201 3.7211 4.5886 4.6100 5.1353 5.1628 5.6545 5.7587 6.6965 6.8215 7.2868 7.3464 7.9575 7.9994 8.8353 8.9288 10.2901 10.3153 11.4872 11.5632 11.7199 11.7418 12.1824 12.2177 k = 0.1858 0.3218 0.1861 ( 3602 PWs) bands (ev): -45.8076 -45.8076 -23.3589 -23.3524 -21.2879 -21.2819 -21.2203 -21.2169 -5.7088 -5.7088 -5.6703 -5.6703 -4.9012 -4.9011 -4.8318 -4.8317 -4.7725 -4.7725 -3.8066 -3.7955 -3.4200 -3.4194 3.6421 3.6431 4.5571 4.5768 5.1881 5.2117 5.7382 5.8428 6.7243 6.8436 7.3477 7.4102 7.9813 8.0294 8.8176 8.9072 10.2695 10.2897 11.5652 11.6369 11.6738 11.6965 12.2780 12.2791 k = 0.1803 0.3123 0.1861 ( 3610 PWs) bands (ev): -45.8083 -45.8082 -23.3566 -23.3505 -21.2841 -21.2791 -21.2186 -21.2149 -5.7096 -5.7096 -5.6716 -5.6715 -4.9024 -4.9024 -4.8320 -4.8320 -4.7740 -4.7740 -3.8475 -3.8373 -3.4439 -3.4433 3.5652 3.5660 4.5219 4.5397 5.2468 5.2668 5.8246 5.9291 6.7539 6.8671 7.4051 7.4700 8.0063 8.0604 8.8011 8.8863 10.2532 10.2680 11.6175 11.6359 11.6445 11.7003 12.3462 12.3790 k = 0.1749 0.3029 0.1861 ( 3610 PWs) bands (ev): -45.8089 -45.8089 -23.3542 -23.3486 -21.2804 -21.2762 -21.2169 -21.2129 -5.7104 -5.7104 -5.6728 -5.6727 -4.9036 -4.9036 -4.8324 -4.8323 -4.7755 -4.7755 -3.8888 -3.8794 -3.4680 -3.4674 3.4896 3.4903 4.4837 4.4997 5.3106 5.3273 5.9132 6.0172 6.7856 6.8924 7.4586 7.5252 8.0320 8.0921 8.7859 8.8660 10.2412 10.2504 11.5847 11.6033 11.6666 11.7373 12.4174 12.4791 k = 0.1694 0.2934 0.1861 ( 3602 PWs) bands (ev): -45.8095 -45.8094 -23.3518 -23.3466 -21.2766 -21.2733 -21.2150 -21.2108 -5.7111 -5.7111 -5.6739 -5.6739 -4.9047 -4.9047 -4.8328 -4.8328 -4.7769 -4.7768 -3.9301 -3.9215 -3.4921 -3.4916 3.4153 3.4159 4.4432 4.4575 5.3788 5.3925 6.0038 6.1067 6.8197 6.9197 7.5078 7.5756 8.0580 8.1239 8.7719 8.8465 10.2334 10.2371 11.5461 11.5640 11.6896 11.7607 12.4859 12.5627 k = 0.1639 0.2839 0.1861 ( 3598 PWs) bands (ev): -45.8101 -45.8101 -23.3494 -23.3446 -21.2729 -21.2704 -21.2130 -21.2086 -5.7119 -5.7119 -5.6751 -5.6751 -4.9058 -4.9058 -4.8334 -4.8334 -4.7781 -4.7781 -3.9714 -3.9636 -3.5162 -3.5157 3.3426 3.3431 4.4008 4.4136 5.4509 5.4618 6.0961 6.1973 6.8566 6.9492 7.5524 7.6205 8.0841 8.1554 8.7592 8.8277 10.2279 10.2298 11.5115 11.5286 11.6998 11.7724 12.5435 12.6138 k = 0.1585 0.2745 0.1861 ( 3590 PWs) bands (ev): -45.8106 -45.8106 -23.3470 -23.3426 -21.2694 -21.2675 -21.2109 -21.2064 -5.7127 -5.7127 -5.6763 -5.6763 -4.9069 -4.9068 -4.8341 -4.8341 -4.7793 -4.7793 -4.0126 -4.0055 -3.5402 -3.5398 3.2715 3.2719 4.3570 4.3684 5.5264 5.5348 6.1896 6.2883 6.8965 6.9811 7.5921 7.6597 8.1097 8.1864 8.7478 8.8098 10.2232 10.2303 11.4815 11.4978 11.7005 11.7753 12.5842 12.6346 k = 0.1530 0.2650 0.1861 ( 3594 PWs) bands (ev): -45.8113 -45.8113 -23.3446 -23.3406 -21.2659 -21.2647 -21.2086 -21.2040 -5.7135 -5.7135 -5.6776 -5.6776 -4.9080 -4.9080 -4.8351 -4.8351 -4.7803 -4.7803 -4.0535 -4.0471 -3.5641 -3.5636 3.2022 3.2026 4.3121 4.3223 5.6048 5.6110 6.2839 6.3793 6.9399 7.0155 7.6266 7.6929 8.1347 8.2165 8.7377 8.7929 10.2230 10.2348 11.4569 11.4721 11.6946 11.7721 12.6069 12.6360 k = 0.1475 0.2555 0.1861 ( 3602 PWs) bands (ev): -45.8121 -45.8121 -23.3422 -23.3385 -21.2627 -21.2620 -21.2062 -21.2015 -5.7144 -5.7144 -5.6790 -5.6790 -4.9091 -4.9090 -4.8363 -4.8363 -4.7813 -4.7812 -4.0941 -4.0882 -3.5877 -3.5873 3.1348 3.1351 4.2666 4.2756 5.6859 5.6900 6.3787 6.4695 6.9872 7.0526 7.6557 7.7199 8.1589 8.2454 8.7288 8.7769 10.2275 10.2436 11.4377 11.4518 11.6843 11.7645 12.6140 12.6254 k = 0.1421 0.2461 0.1861 ( 3596 PWs) bands (ev): -45.8127 -45.8127 -23.3398 -23.3365 -21.2596 -21.2593 -21.2035 -21.1989 -5.7151 -5.7151 -5.6803 -5.6803 -4.9100 -4.9100 -4.8377 -4.8377 -4.7819 -4.7819 -4.1341 -4.1289 -3.6110 -3.6107 3.0694 3.0697 4.2206 4.2285 5.7693 5.7716 6.4735 6.5583 7.0389 7.0926 7.6793 7.7408 8.1819 8.2731 8.7208 8.7618 10.2369 10.2566 11.4242 11.4370 11.6715 11.7541 12.6062 12.6085 k = 0.1366 0.2366 0.1861 ( 3604 PWs) bands (ev): -45.8134 -45.8134 -23.3375 -23.3345 -21.2568 -21.2567 -21.2007 -21.1962 -5.7160 -5.7160 -5.6818 -5.6817 -4.9111 -4.9111 -4.8393 -4.8393 -4.7824 -4.7824 -4.1735 -4.1689 -3.6340 -3.6337 3.0061 3.0063 4.1745 4.1815 5.8547 5.8553 6.5678 6.6448 7.0952 7.1356 7.6975 7.7557 8.2037 8.2993 8.7133 8.7475 10.2515 10.2740 11.4164 11.4276 11.6571 11.7420 12.5805 12.5933 k = 0.1311 0.2272 0.1861 ( 3602 PWs) bands (ev): -45.8140 -45.8140 -23.3351 -23.3324 -21.2544 -21.2540 -21.1976 -21.1933 -5.7169 -5.7168 -5.6831 -5.6831 -4.9121 -4.9121 -4.8410 -4.8410 -4.7827 -4.7826 -4.2123 -4.2081 -3.6565 -3.6563 2.9450 2.9451 4.1285 4.1346 5.9408 5.9417 6.6610 6.7284 7.1564 7.1816 7.7104 7.7649 8.2241 8.3240 8.7061 8.7337 10.2715 10.2961 11.4141 11.4234 11.6423 11.7292 12.5495 12.5704 k = 0.1257 0.2177 0.1861 ( 3604 PWs) bands (ev): -45.8147 -45.8147 -23.3328 -23.3304 -21.2522 -21.2516 -21.1944 -21.1903 -5.7177 -5.7177 -5.6845 -5.6845 -4.9131 -4.9131 -4.8428 -4.8428 -4.7828 -4.7828 -4.2502 -4.2465 -3.6786 -3.6784 2.8860 2.8861 4.0828 4.0880 6.0277 6.0300 6.7525 6.8085 7.2227 7.2309 7.7184 7.7690 8.2431 8.3470 8.6986 8.7202 10.2970 10.3229 11.4168 11.4241 11.6277 11.7163 12.5144 12.5415 k = 0.1202 0.2082 0.1861 ( 3612 PWs) bands (ev): -45.8154 -45.8154 -23.3306 -23.3285 -21.2501 -21.2494 -21.1911 -21.1873 -5.7186 -5.7186 -5.6860 -5.6859 -4.9141 -4.9141 -4.8449 -4.8448 -4.7827 -4.7827 -4.2872 -4.2840 -3.7001 -3.6999 2.8293 2.8294 4.0375 4.0421 6.1158 6.1192 6.8417 6.8850 7.2835 7.2938 7.7218 7.7685 8.2605 8.3683 8.6905 8.7067 10.3284 10.3547 11.4242 11.4292 11.6140 11.7039 12.4759 12.5080 k = 0.1148 0.1988 0.1861 ( 3616 PWs) bands (ev): -45.8160 -45.8160 -23.3284 -23.3265 -21.2482 -21.2474 -21.1876 -21.1841 -5.7195 -5.7195 -5.6874 -5.6874 -4.9151 -4.9151 -4.8470 -4.8469 -4.7825 -4.7825 -4.3233 -4.3205 -3.7211 -3.7209 2.7749 2.7750 3.9930 3.9970 6.2046 6.2091 6.9281 6.9579 7.3395 7.3690 7.7212 7.7641 8.2765 8.3880 8.6815 8.6929 10.3655 10.3916 11.4357 11.4382 11.6016 11.6926 12.4349 12.4708 k = 0.1093 0.1893 0.1861 ( 3610 PWs) bands (ev): -45.8166 -45.8166 -23.3263 -23.3246 -21.2465 -21.2457 -21.1840 -21.1808 -5.7204 -5.7204 -5.6887 -5.6887 -4.9160 -4.9160 -4.8490 -4.8490 -4.7821 -4.7820 -4.3582 -4.3558 -3.7414 -3.7412 2.7229 2.7230 3.9494 3.9528 6.2938 6.2992 7.0113 7.0275 7.3985 7.4473 7.7173 7.7563 8.2910 8.4060 8.6712 8.6788 10.4084 10.4336 11.4505 11.4506 11.5910 11.6827 12.3919 12.4310 k = 0.1038 0.1798 0.1861 ( 3614 PWs) bands (ev): -45.8172 -45.8172 -23.3242 -23.3228 -21.2449 -21.2441 -21.1803 -21.1775 -5.7212 -5.7212 -5.6901 -5.6901 -4.9169 -4.9169 -4.8512 -4.8512 -4.7816 -4.7815 -4.3920 -4.3899 -3.7610 -3.7608 2.6733 2.6733 3.9069 3.9097 6.3831 6.3892 7.0909 7.0944 7.4602 7.5274 7.7107 7.7461 8.3040 8.4222 8.6597 8.6640 10.4569 10.4807 11.4653 11.4684 11.5825 11.6748 12.3475 12.3891 k = 0.0984 0.1704 0.1861 ( 3610 PWs) bands (ev): -45.8178 -45.8178 -23.3222 -23.3210 -21.2434 -21.2427 -21.1766 -21.1741 -5.7221 -5.7221 -5.6915 -5.6914 -4.9178 -4.9178 -4.8533 -4.8533 -4.7810 -4.7809 -4.4246 -4.4228 -3.7798 -3.7797 2.6261 2.6261 3.8655 3.8680 6.4719 6.4787 7.1591 7.1668 7.5236 7.6079 7.7023 7.7342 8.3156 8.4366 8.6469 8.6486 10.5107 10.5328 11.4822 11.4883 11.5767 11.6690 12.3025 12.3459 k = 0.0929 0.1609 0.1861 ( 3610 PWs) bands (ev): -45.8183 -45.8183 -23.3203 -23.3192 -21.2421 -21.2415 -21.1729 -21.1707 -5.7229 -5.7229 -5.6928 -5.6928 -4.9187 -4.9187 -4.8554 -4.8554 -4.7803 -4.7802 -4.4558 -4.4543 -3.7979 -3.7978 2.5813 2.5813 3.8256 3.8276 6.5600 6.5672 7.2220 7.2391 7.5867 7.6839 7.6942 7.7249 8.3257 8.4493 8.6326 8.6329 10.5695 10.5896 11.5004 11.5094 11.5738 11.6659 12.2572 12.3019 k = 0.0874 0.1514 0.1861 ( 3610 PWs) bands (ev): -45.8189 -45.8189 -23.3184 -23.3175 -21.2410 -21.2404 -21.1692 -21.1674 -5.7238 -5.7238 -5.6941 -5.6941 -4.9196 -4.9196 -4.8575 -4.8575 -4.7795 -4.7795 -4.4856 -4.4844 -3.8151 -3.8150 2.5390 2.5391 3.7872 3.7889 6.6469 6.6544 7.2833 7.3080 7.6395 7.6960 7.7006 7.7727 8.3345 8.4600 8.6162 8.6180 10.6329 10.6508 11.5194 11.5306 11.5749 11.6655 12.2123 12.2579 k = 0.0820 0.1420 0.1861 ( 3614 PWs) bands (ev): -45.8194 -45.8194 -23.3167 -23.3159 -21.2399 -21.2394 -21.1656 -21.1641 -5.7247 -5.7247 -5.6953 -5.6953 -4.9205 -4.9204 -4.8595 -4.8595 -4.7788 -4.7787 -4.5140 -4.5130 -3.8315 -3.8314 2.4993 2.4993 3.7504 3.7518 6.7320 6.7398 7.3430 7.3735 7.6516 7.6877 7.7377 7.8472 8.3420 8.4688 8.5996 8.6024 10.7004 10.7161 11.5385 11.5496 11.5816 11.6681 12.1682 12.2142 k = 0.0765 0.1325 0.1861 ( 3622 PWs) bands (ev): -45.8200 -45.8200 -23.3150 -23.3144 -21.2390 -21.2386 -21.1621 -21.1608 -5.7255 -5.7255 -5.6967 -5.6967 -4.9213 -4.9213 -4.8616 -4.8616 -4.7779 -4.7779 -4.5409 -4.5400 -3.8470 -3.8469 2.4620 2.4620 3.7155 3.7166 6.8151 6.8229 7.4007 7.4353 7.6444 7.6744 7.7980 7.9192 8.3483 8.4755 8.5831 8.5864 10.7716 10.7850 11.5573 11.5640 11.5961 11.6736 12.1256 12.1715 k = 0.0710 0.1230 0.1861 ( 3630 PWs) bands (ev): -45.8205 -45.8205 -23.3134 -23.3130 -21.2382 -21.2378 -21.1588 -21.1577 -5.7264 -5.7264 -5.6979 -5.6979 -4.9221 -4.9221 -4.8635 -4.8635 -4.7771 -4.7771 -4.5662 -4.5655 -3.8616 -3.8615 2.4273 2.4273 3.6824 3.6833 6.8954 6.9032 7.4553 7.4920 7.6370 7.6634 7.8590 7.9867 8.3536 8.4800 8.5669 8.5703 10.8459 10.8572 11.5754 11.5755 11.6161 11.6819 12.0849 12.1301 k = 0.0656 0.1136 0.1861 ( 3630 PWs) bands (ev): -45.8210 -45.8210 -23.3120 -23.3116 -21.2374 -21.2372 -21.1555 -21.1547 -5.7272 -5.7272 -5.6989 -5.6989 -4.9228 -4.9228 -4.8652 -4.8652 -4.7763 -4.7763 -4.5898 -4.5893 -3.8751 -3.8751 2.3951 2.3951 3.6514 3.6521 6.9726 6.9802 7.5037 7.5378 7.6381 7.6583 7.9178 8.0484 8.3581 8.4820 8.5514 8.5545 10.9230 10.9322 11.5871 11.5932 11.6379 11.6925 12.0466 12.0906 k = 0.0601 0.1041 0.1861 ( 3634 PWs) bands (ev): -45.8214 -45.8214 -23.3106 -23.3103 -21.2368 -21.2366 -21.1525 -21.1518 -5.7280 -5.7280 -5.7000 -5.7000 -4.9235 -4.9235 -4.8668 -4.8668 -4.7754 -4.7754 -4.6118 -4.6114 -3.8877 -3.8877 2.3655 2.3655 3.6225 3.6230 7.0461 7.0533 7.5387 7.5601 7.6610 7.6664 7.9729 8.1034 8.3624 8.4813 8.5371 8.5390 11.0023 11.0096 11.6003 11.6103 11.6596 11.7046 12.0115 12.0535 k = 0.0546 0.0946 0.1861 ( 3626 PWs) bands (ev): -45.8217 -45.8217 -23.3094 -23.3091 -21.2363 -21.2361 -21.1496 -21.1491 -5.7287 -5.7287 -5.7009 -5.7009 -4.9241 -4.9241 -4.8683 -4.8683 -4.7746 -4.7745 -4.6321 -4.6318 -3.8993 -3.8993 2.3384 2.3384 3.5958 3.5962 7.1153 7.1221 7.5537 7.5610 7.6944 7.7041 8.0237 8.1504 8.3670 8.4779 8.5243 8.5243 11.0832 11.0889 11.6148 11.6269 11.6805 11.7174 11.9800 12.0192 k = 0.0492 0.0852 0.1861 ( 3638 PWs) bands (ev): -45.8222 -45.8222 -23.3082 -23.3081 -21.2358 -21.2356 -21.1470 -21.1466 -5.7294 -5.7294 -5.7019 -5.7019 -4.9247 -4.9247 -4.8698 -4.8698 -4.7738 -4.7738 -4.6506 -4.6504 -3.9099 -3.9099 2.3139 2.3139 3.5713 3.5716 7.1796 7.1858 7.5542 7.5546 7.7372 7.7537 8.0695 8.1880 8.3729 8.4720 8.5104 8.5130 11.1654 11.1695 11.6302 11.6428 11.7002 11.7300 11.9529 11.9884 k = 0.0437 0.0757 0.1861 ( 3634 PWs) bands (ev): -45.8224 -45.8224 -23.3072 -23.3071 -21.2354 -21.2353 -21.1446 -21.1443 -5.7301 -5.7301 -5.7026 -5.7026 -4.9252 -4.9252 -4.8710 -4.8710 -4.7730 -4.7730 -4.6673 -4.6672 -3.9194 -3.9193 2.2919 2.2919 3.5493 3.5495 7.2383 7.2439 7.5466 7.5490 7.7858 7.8042 8.1098 8.2153 8.3811 8.4644 8.4976 8.5028 11.2481 11.2508 11.6457 11.6577 11.7185 11.7417 11.9308 11.9617 k = 0.0383 0.0663 0.1861 ( 3626 PWs) bands (ev): -45.8226 -45.8226 -23.3063 -23.3062 -21.2350 -21.2349 -21.1424 -21.1422 -5.7306 -5.7306 -5.7033 -5.7033 -4.9256 -4.9256 -4.8720 -4.8720 -4.7721 -4.7721 -4.6822 -4.6821 -3.9278 -3.9277 2.2726 2.2726 3.5296 3.5298 7.2908 7.2956 7.5393 7.5425 7.8358 7.8535 8.1441 8.2319 8.3916 8.4564 8.4860 8.4930 11.3306 11.3323 11.6603 11.6709 11.7352 11.7521 11.9146 11.9397 k = 0.0328 0.0568 0.1861 ( 3636 PWs) bands (ev): -45.8230 -45.8230 -23.3055 -23.3055 -21.2347 -21.2347 -21.1405 -21.1404 -5.7312 -5.7312 -5.7039 -5.7039 -4.9260 -4.9260 -4.8731 -4.8731 -4.7715 -4.7714 -4.6953 -4.6952 -3.9351 -3.9351 2.2558 2.2558 3.5125 3.5126 7.3363 7.3402 7.5336 7.5367 7.8852 7.9007 8.1718 8.2391 8.4034 8.4488 8.4756 8.4833 11.4121 11.4128 11.6730 11.6815 11.7504 11.7612 11.9043 11.9228 k = 0.0273 0.0473 0.1861 ( 3628 PWs) bands (ev): -45.8231 -45.8231 -23.3048 -23.3048 -21.2345 -21.2344 -21.1389 -21.1388 -5.7316 -5.7316 -5.7044 -5.7044 -4.9263 -4.9263 -4.8738 -4.8738 -4.7707 -4.7707 -4.7064 -4.7064 -3.9413 -3.9413 2.2416 2.2416 3.4979 3.4980 7.3739 7.3768 7.5304 7.5329 7.9327 7.9452 8.1921 8.2388 8.4149 8.4427 8.4666 8.4739 11.4911 11.4912 11.6828 11.6890 11.7644 11.7700 11.8995 11.9116 k = 0.0219 0.0379 0.1861 ( 3628 PWs) bands (ev): -45.8233 -45.8233 -23.3043 -23.3043 -21.2343 -21.2343 -21.1375 -21.1375 -5.7320 -5.7320 -5.7048 -5.7048 -4.9266 -4.9266 -4.8745 -4.8745 -4.7701 -4.7701 -4.7157 -4.7156 -3.9464 -3.9464 2.2299 2.2299 3.4859 3.4860 7.4028 7.4047 7.5303 7.5320 7.9772 7.9863 8.2046 8.2330 8.4245 8.4385 8.4592 8.4649 11.5651 11.5655 11.6893 11.6931 11.7779 11.7800 11.8992 11.9057 k = 0.0164 0.0284 0.1861 ( 3618 PWs) bands (ev): -45.8233 -45.8233 -23.3038 -23.3038 -21.2341 -21.2341 -21.1365 -21.1365 -5.7322 -5.7322 -5.7051 -5.7051 -4.9267 -4.9267 -4.8749 -4.8749 -4.7694 -4.7694 -4.7230 -4.7230 -3.9504 -3.9504 2.2209 2.2209 3.4766 3.4766 7.4227 7.4237 7.5331 7.5339 8.0176 8.0230 8.2092 8.2234 8.4314 8.4366 8.4534 8.4572 11.6304 11.6309 11.6929 11.6947 11.7925 11.7927 11.9019 11.9047 k = 0.0109 0.0189 0.1861 ( 3618 PWs) bands (ev): -45.8234 -45.8234 -23.3035 -23.3035 -21.2340 -21.2340 -21.1357 -21.1357 -5.7324 -5.7324 -5.7053 -5.7053 -4.9269 -4.9269 -4.8753 -4.8753 -4.7690 -4.7690 -4.7283 -4.7283 -3.9532 -3.9532 2.2144 2.2144 3.4699 3.4699 7.4347 7.4350 7.5375 7.5378 8.0517 8.0540 8.2070 8.2121 8.4355 8.4366 8.4493 8.4511 11.6803 11.6806 11.6945 11.6950 11.8099 11.8101 11.9070 11.9078 k = 0.0055 0.0095 0.1861 ( 3610 PWs) bands (ev): -45.8234 -45.8234 -23.3033 -23.3033 -21.2339 -21.2339 -21.1353 -21.1353 -5.7324 -5.7324 -5.7055 -5.7055 -4.9269 -4.9269 -4.8755 -4.8755 -4.7686 -4.7686 -4.7315 -4.7315 -3.9549 -3.9549 2.2105 2.2105 3.4658 3.4658 7.4406 7.4406 7.5414 7.5414 8.0760 8.0764 8.2012 8.2020 8.4375 8.4375 8.4469 8.4472 11.6942 11.6942 11.7098 11.7098 11.8282 11.8282 11.9137 11.9138 k = 0.0000 0.0000 0.1861 ( 3614 PWs) bands (ev): -45.8235 -45.8235 -23.3033 -23.3033 -21.2339 -21.2339 -21.1351 -21.1351 -5.7325 -5.7325 -5.7055 -5.7055 -4.9269 -4.9269 -4.8756 -4.8756 -4.7685 -4.7685 -4.7326 -4.7326 -3.9555 -3.9555 2.2093 2.2093 3.4645 3.4645 7.4423 7.4423 7.5428 7.5428 8.0852 8.0852 8.1977 8.1977 8.4380 8.4380 8.4459 8.4459 11.6942 11.6942 11.7185 11.7185 11.8363 11.8363 11.9176 11.9176 k = 0.5000 0.2887 0.1861 ( 3612 PWs) bands (ev): -45.8017 -45.8017 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7154 -5.7154 -5.6616 -5.6616 -4.8858 -4.8858 -4.8543 -4.8543 -4.7191 -4.7191 -3.3572 -3.3572 -3.1721 -3.1721 3.9128 3.9128 4.4187 4.4187 5.0517 5.0517 5.1701 5.1701 6.7778 6.7778 7.8900 7.8900 8.2217 8.2217 8.4647 8.4647 8.7756 8.7756 11.7352 11.7352 11.8265 11.8265 12.7026 12.7026 k = 0.5000 0.2887 0.1751 ( 3608 PWs) bands (ev): -45.8017 -45.8017 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7154 -5.7153 -5.6616 -5.6616 -4.8858 -4.8858 -4.8543 -4.8542 -4.7191 -4.7191 -3.3572 -3.3564 -3.1729 -3.1720 3.9113 3.9125 4.4160 4.4224 5.0045 5.0630 5.1661 5.2178 6.7779 6.7780 7.8892 7.8906 8.2158 8.2248 8.4360 8.4591 8.7820 8.7959 11.7350 11.7357 11.8281 11.8291 12.7030 12.7049 k = 0.5000 0.2887 0.1642 ( 3602 PWs) bands (ev): -45.8016 -45.8016 -23.3775 -23.3775 -21.3381 -21.3381 -21.2114 -21.2114 -5.7153 -5.7153 -5.6616 -5.6615 -4.8858 -4.8858 -4.8542 -4.8541 -4.7191 -4.7190 -3.3565 -3.3548 -3.1745 -3.1728 3.9079 3.9104 4.4144 4.4271 4.9534 5.0279 5.2161 5.2771 6.7782 6.7785 7.8879 7.8909 8.2055 8.2256 8.3825 8.4247 8.8116 8.8333 11.7351 11.7366 11.8343 11.8361 12.7043 12.7101 k = 0.5000 0.2887 0.1532 ( 3610 PWs) bands (ev): -45.8017 -45.8017 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7154 -5.7153 -5.6616 -5.6616 -4.8859 -4.8859 -4.8543 -4.8542 -4.7191 -4.7191 -3.3549 -3.3524 -3.1769 -3.1743 3.9029 3.9064 4.4139 4.4327 4.9045 4.9845 5.2818 5.3420 6.7787 6.7791 7.8861 7.8909 8.1876 8.2229 8.3157 8.3767 8.8527 8.8774 11.7353 11.7374 11.8448 11.8472 12.6954 12.7155 k = 0.5000 0.2887 0.1423 ( 3616 PWs) bands (ev): -45.8017 -45.8017 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7155 -5.7154 -5.6617 -5.6616 -4.8859 -4.8859 -4.8544 -4.8542 -4.7192 -4.7191 -3.3527 -3.3493 -3.1800 -3.1766 3.8964 3.9010 4.4144 4.4390 4.8589 4.9422 5.3537 5.4111 6.7794 6.7800 7.8836 7.8907 8.1560 8.2037 8.2547 8.3301 8.8973 8.9227 11.7354 11.7381 11.8596 11.8619 12.6336 12.6503 k = 0.5000 0.2887 0.1314 ( 3620 PWs) bands (ev): -45.8018 -45.8018 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7155 -5.7154 -5.6617 -5.6616 -4.8860 -4.8860 -4.8545 -4.8543 -4.7192 -4.7191 -3.3496 -3.3455 -3.1839 -3.1796 3.8887 3.8941 4.4159 4.4458 4.8172 4.9025 5.4297 5.4838 6.7803 6.7811 7.8797 7.8903 8.1054 8.1351 8.2359 8.2953 8.9415 8.9665 11.7354 11.7384 11.8780 11.8796 12.5435 12.5501 k = 0.5000 0.2887 0.1204 ( 3622 PWs) bands (ev): -45.8018 -45.8018 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7155 -5.7154 -5.6618 -5.6616 -4.8861 -4.8861 -4.8546 -4.8543 -4.7192 -4.7191 -3.3459 -3.3410 -3.1884 -3.1834 3.8801 3.8862 4.4181 4.4528 4.7794 4.8658 5.5091 5.5597 6.7814 6.7824 7.8726 7.8897 8.0394 8.0474 8.2309 8.2732 8.9834 9.0075 11.7351 11.7384 11.8993 11.8994 12.4544 12.4545 k = 0.5000 0.2887 0.1095 ( 3624 PWs) bands (ev): -45.8018 -45.8018 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7156 -5.7154 -5.6618 -5.6617 -4.8862 -4.8861 -4.8546 -4.8543 -4.7193 -4.7192 -3.3415 -3.3359 -3.1935 -3.1878 3.8710 3.8775 4.4211 4.4600 4.7456 4.8322 5.5912 5.6382 6.7826 6.7838 7.8557 7.8887 7.9545 7.9712 8.2275 8.2588 9.0224 9.0451 11.7346 11.7380 11.9198 11.9229 12.3655 12.3715 k = 0.5000 0.2887 0.0985 ( 3632 PWs) bands (ev): -45.8019 -45.8019 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7156 -5.7155 -5.6618 -5.6617 -4.8863 -4.8863 -4.8547 -4.8544 -4.7194 -4.7193 -3.3364 -3.3302 -3.1993 -3.1929 3.8617 3.8684 4.4247 4.4669 4.7159 4.8016 5.6755 5.7188 6.7838 6.7853 7.8106 7.8564 7.8900 7.9245 8.2244 8.2486 9.0580 9.0791 11.7339 11.7373 11.9396 11.9474 12.2837 12.2967 k = 0.5000 0.2887 0.0876 ( 3632 PWs) bands (ev): -45.8019 -45.8019 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7156 -5.7155 -5.6618 -5.6617 -4.8864 -4.8863 -4.8548 -4.8545 -4.7194 -4.7193 -3.3308 -3.3239 -3.2056 -3.1985 3.8524 3.8591 4.4288 4.4732 4.6903 4.7739 5.7613 5.8010 6.7851 6.7868 7.7340 7.7599 7.8883 7.9058 8.2214 8.2405 9.0901 9.1094 11.7331 11.7364 11.9566 11.9719 12.2098 12.2318 k = 0.5000 0.2887 0.0766 ( 3644 PWs) bands (ev): -45.8020 -45.8020 -23.3776 -23.3776 -21.3381 -21.3381 -21.2115 -21.2115 -5.7157 -5.7155 -5.6619 -5.6618 -4.8865 -4.8864 -4.8549 -4.8546 -4.7195 -4.7194 -3.3246 -3.3172 -3.2123 -3.2048 3.8436 3.8500 4.4333 4.4787 4.6689 4.7489 5.8477 5.8838 6.7863 6.7884 7.6451 7.6625 7.8874 7.8980 8.2185 8.2338 9.1186 9.1359 11.7321 11.7352 11.9682 11.9948 12.1448 12.1791 k = 0.5000 0.2887 0.0657 ( 3644 PWs) bands (ev): -45.8020 -45.8020 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7157 -5.7156 -5.6620 -5.6618 -4.8865 -4.8865 -4.8549 -4.8547 -4.7195 -4.7194 -3.3179 -3.3101 -3.2195 -3.2115 3.8354 3.8414 4.4381 4.4828 4.6518 4.7265 5.9336 5.9661 6.7876 6.7899 7.5535 7.5666 7.8867 7.8938 8.2159 8.2281 9.1435 9.1587 11.7311 11.7340 11.9705 12.0128 12.0918 12.1419 k = 0.5000 0.2887 0.0547 ( 3644 PWs) bands (ev): -45.8020 -45.8020 -23.3776 -23.3776 -21.3381 -21.3381 -21.2115 -21.2115 -5.7157 -5.7156 -5.6620 -5.6619 -4.8866 -4.8866 -4.8549 -4.8547 -4.7195 -4.7194 -3.3108 -3.3026 -3.2270 -3.2186 3.8282 3.8335 4.4433 4.4853 4.6392 4.7065 6.0174 6.0461 6.7887 6.7914 7.4636 7.4740 7.8861 7.8910 8.2135 8.2231 9.1648 9.1777 11.7301 11.7327 11.9616 12.0099 12.0661 12.1218 k = 0.5000 0.2887 0.0438 ( 3636 PWs) bands (ev): -45.8019 -45.8019 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7156 -5.7155 -5.6619 -5.6618 -4.8866 -4.8865 -4.8549 -4.8547 -4.7195 -4.7194 -3.3034 -3.2949 -3.2347 -3.2261 3.8221 3.8266 4.4486 4.4858 4.6312 4.6887 6.0969 6.1214 6.7899 6.7927 7.3789 7.3873 7.8855 7.8890 8.2116 8.2190 9.1825 9.1930 11.7291 11.7313 11.9451 11.9802 12.0732 12.1150 k = 0.5000 0.2887 0.0328 ( 3640 PWs) bands (ev): -45.8019 -45.8019 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7157 -5.7156 -5.6619 -5.6619 -4.8867 -4.8866 -4.8549 -4.8547 -4.7195 -4.7194 -3.2957 -3.2871 -3.2424 -3.2338 3.8174 3.8209 4.4542 4.4843 4.6277 4.6731 6.1687 6.1885 6.7910 6.7939 7.3034 7.3100 7.8852 7.8875 8.2101 8.2155 9.1966 9.2046 11.7282 11.7300 11.9275 11.9503 12.0862 12.1145 k = 0.5000 0.2887 0.0219 ( 3636 PWs) bands (ev): -45.8019 -45.8019 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7157 -5.7156 -5.6619 -5.6618 -4.8867 -4.8867 -4.8549 -4.8548 -4.7194 -4.7194 -3.2880 -3.2797 -3.2498 -3.2415 3.8141 3.8165 4.4600 4.4811 4.6281 4.6595 6.2282 6.2424 6.7922 6.7946 7.2424 7.2472 7.8850 7.8865 8.2093 8.2128 9.2071 9.2125 11.7275 11.7288 11.9136 11.9273 12.0979 12.1155 k = 0.5000 0.2887 0.0109 ( 3642 PWs) bands (ev): -45.8020 -45.8020 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7157 -5.7156 -5.6619 -5.6619 -4.8867 -4.8867 -4.8549 -4.8549 -4.7194 -4.7194 -3.2805 -3.2741 -3.2554 -3.2490 3.8123 3.8135 4.4657 4.4767 4.6320 4.6480 6.2694 6.2769 6.7934 6.7949 7.2023 7.2048 7.8850 7.8857 8.2091 8.2108 9.2139 9.2166 11.7272 11.7278 11.9057 11.9121 12.1068 12.1152 k = 0.5000 0.2887-0.0000 ( 3636 PWs) bands (ev): -45.8019 -45.8019 -23.3776 -23.3776 -21.3381 -21.3381 -21.2114 -21.2114 -5.7156 -5.7156 -5.6619 -5.6619 -4.8867 -4.8867 -4.8548 -4.8548 -4.7194 -4.7194 -3.2745 -3.2745 -3.2550 -3.2550 3.8121 3.8121 4.4714 4.4714 4.6388 4.6388 6.2866 6.2866 6.7944 6.7944 7.1890 7.1890 7.8852 7.8852 8.2096 8.2096 9.2171 9.2171 11.7273 11.7273 11.9050 11.9050 12.1125 12.1125 k = 0.3333 0.5774-0.0000 ( 3621 PWs) bands (ev): -45.7991 -45.7990 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6963 -5.6963 -5.6498 -5.6498 -4.8682 -4.8677 -4.8232 -4.8232 -4.7827 -4.7826 -3.1318 -3.1307 -3.1007 -3.0703 4.5529 4.7187 4.7437 4.8080 4.8120 4.9799 5.3151 5.4312 6.0864 6.1641 6.1804 6.2893 8.2309 8.2366 9.0288 9.1788 9.3580 9.5831 9.9805 10.1977 11.2512 11.2659 11.6227 11.6378 k = 0.3333 0.5774 0.0109 ( 3612 PWs) bands (ev): -45.7990 -45.7990 -23.3924 -23.3770 -21.3385 -21.3067 -21.2579 -21.2479 -5.6963 -5.6962 -5.6497 -5.6497 -4.8682 -4.8677 -4.8231 -4.8231 -4.7826 -4.7825 -3.1329 -3.1309 -3.0996 -3.0700 4.5529 4.7183 4.7454 4.8095 4.8126 4.9804 5.3157 5.4319 6.0851 6.1584 6.1746 6.2882 8.2378 8.2433 9.0294 9.1795 9.3598 9.5851 9.9761 10.1922 11.2511 11.2660 11.6293 11.6449 k = 0.3333 0.5774 0.0219 ( 3621 PWs) bands (ev): -45.7991 -45.7990 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6964 -5.6963 -5.6498 -5.6497 -4.8683 -4.8678 -4.8232 -4.8232 -4.7826 -4.7825 -3.1357 -3.1315 -3.0968 -3.0694 4.5527 4.7172 4.7506 4.8139 4.8144 4.9818 5.3176 5.4337 6.0812 6.1415 6.1573 6.2847 8.2579 8.2632 9.0310 9.1817 9.3653 9.5911 9.9631 10.1764 11.2507 11.2664 11.6485 11.6659 k = 0.3333 0.5774 0.0328 ( 3630 PWs) bands (ev): -45.7991 -45.7991 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6965 -5.6964 -5.6498 -5.6497 -4.8684 -4.8679 -4.8233 -4.8232 -4.7827 -4.7825 -3.1395 -3.1325 -3.0929 -3.0683 4.5523 4.7154 4.7591 4.8175 4.8214 4.9841 5.3207 5.4366 6.0739 6.1152 6.1294 6.2792 8.2904 8.2951 9.0338 9.1853 9.3741 9.6009 9.9423 10.1513 11.2500 11.2668 11.6797 11.6997 k = 0.3333 0.5774 0.0438 ( 3627 PWs) bands (ev): -45.7991 -45.7991 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6964 -5.6964 -5.6498 -5.6497 -4.8683 -4.8679 -4.8232 -4.8232 -4.7827 -4.7825 -3.1438 -3.1338 -3.0885 -3.0668 4.5517 4.7130 4.7706 4.8222 4.8322 4.9872 5.3249 5.4406 6.0584 6.0857 6.0922 6.2716 8.3338 8.3378 9.0377 9.1904 9.3862 9.6141 9.9150 10.1184 11.2491 11.2670 11.7213 11.7449 k = 0.3333 0.5774 0.0547 ( 3633 PWs) bands (ev): -45.7992 -45.7991 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6965 -5.6964 -5.6499 -5.6498 -4.8684 -4.8679 -4.8233 -4.8233 -4.7827 -4.7826 -3.1483 -3.1354 -3.0839 -3.0651 4.5508 4.7101 4.7843 4.8290 4.8462 4.9910 5.3299 5.4454 6.0219 6.0471 6.0675 6.2624 8.3862 8.3893 9.0426 9.1969 9.4010 9.6304 9.8824 10.0796 11.2480 11.2668 11.7718 11.7996 k = 0.3333 0.5774 0.0657 ( 3645 PWs) bands (ev): -45.7993 -45.7993 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6966 -5.6965 -5.6499 -5.6499 -4.8685 -4.8681 -4.8234 -4.8233 -4.7828 -4.7827 -3.1528 -3.1370 -3.0793 -3.0633 4.5496 4.7067 4.7988 4.8394 4.8638 4.9955 5.3357 5.4510 5.9718 5.9957 6.0550 6.2517 8.4457 8.4478 9.0487 9.2049 9.4180 9.6493 9.8459 10.0366 11.2466 11.2662 11.8294 11.8616 k = 0.3333 0.5774 0.0766 ( 3639 PWs) bands (ev): -45.7992 -45.7992 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6965 -5.6965 -5.6499 -5.6499 -4.8684 -4.8680 -4.8233 -4.8233 -4.7828 -4.7827 -3.1571 -3.1388 -3.0747 -3.0614 4.5481 4.7031 4.8117 4.8555 4.8848 5.0005 5.3418 5.4570 5.9152 5.9394 6.0430 6.2401 8.5102 8.5111 9.0558 9.2143 9.4369 9.6702 9.8071 9.9910 11.2451 11.2653 11.8922 11.9291 k = 0.3333 0.5774 0.0876 ( 3639 PWs) bands (ev): -45.7992 -45.7992 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6965 -5.6965 -5.6499 -5.6499 -4.8683 -4.8680 -4.8234 -4.8233 -4.7828 -4.7827 -3.1613 -3.1405 -3.0705 -3.0594 4.5463 4.6994 4.8219 4.8782 4.9095 5.0058 5.3480 5.4633 5.8544 5.8797 6.0307 6.2277 8.5772 8.5777 9.0639 9.2252 9.4568 9.6923 9.7670 9.9442 11.2435 11.2640 11.9581 12.0000 k = 0.3333 0.5774 0.0985 ( 3639 PWs) bands (ev): -45.7992 -45.7992 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6965 -5.6965 -5.6499 -5.6499 -4.8683 -4.8681 -4.8234 -4.8234 -4.7828 -4.7827 -3.1651 -3.1422 -3.0665 -3.0575 4.5443 4.6956 4.8300 4.9067 4.9377 5.0113 5.3541 5.4696 5.7908 5.8178 6.0184 6.2152 8.6442 8.6461 9.0729 9.2373 9.4772 9.7150 9.7270 9.8974 11.2418 11.2623 11.9998 12.0301 k = 0.3333 0.5774 0.1095 ( 3645 PWs) bands (ev): -45.7993 -45.7993 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6966 -5.6966 -5.6499 -5.6499 -4.8684 -4.8682 -4.8234 -4.8234 -4.7828 -4.7827 -3.1686 -3.1438 -3.0628 -3.0557 4.5421 4.6920 4.8369 4.9398 4.9694 5.0168 5.3596 5.4758 5.7256 5.7550 6.0063 6.2028 8.7099 8.7133 9.0827 9.2506 9.4973 9.6881 9.7374 9.8517 11.2401 11.2605 11.9270 12.0145 k = 0.3333 0.5774 0.1204 ( 3654 PWs) bands (ev): -45.7994 -45.7993 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2480 -5.6967 -5.6967 -5.6500 -5.6499 -4.8685 -4.8683 -4.8234 -4.8234 -4.7829 -4.7827 -3.1717 -3.1453 -3.0596 -3.0540 4.5400 4.6886 4.8430 4.9768 5.0046 5.0221 5.3640 5.4817 5.6597 5.6923 5.9949 6.1910 8.7723 8.7773 9.0929 9.2648 9.5165 9.6512 9.7588 9.8082 11.2384 11.2586 11.8573 11.9501 k = 0.3333 0.5774 0.1314 ( 3654 PWs) bands (ev): -45.7994 -45.7993 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2480 -5.6967 -5.6967 -5.6500 -5.6499 -4.8685 -4.8684 -4.8234 -4.8234 -4.7829 -4.7827 -3.1743 -3.1466 -3.0568 -3.0526 4.5380 4.6855 4.8484 5.0174 5.0271 5.0430 5.3667 5.4870 5.5939 5.6312 5.9844 6.1803 8.8296 8.8361 9.1034 9.2796 9.5341 9.6174 9.7660 9.7802 11.2369 11.2567 11.7945 11.8922 k = 0.3333 0.5774 0.1423 ( 3642 PWs) bands (ev): -45.7993 -45.7992 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6966 -5.6966 -5.6499 -5.6499 -4.8685 -4.8684 -4.8233 -4.8233 -4.7828 -4.7827 -3.1765 -3.1476 -3.0544 -3.0513 4.5362 4.6829 4.8531 5.0314 5.0611 5.0843 5.3661 5.4915 5.5291 5.5736 5.9753 6.1709 8.8798 8.8876 9.1135 9.2943 9.5494 9.5877 9.7305 9.7966 11.2355 11.2550 11.7402 11.8422 k = 0.3333 0.5774 0.1532 ( 3642 PWs) bands (ev): -45.7993 -45.7992 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6966 -5.6966 -5.6499 -5.6499 -4.8684 -4.8684 -4.8233 -4.8233 -4.7828 -4.7827 -3.1783 -3.1485 -3.0526 -3.0503 4.5347 4.6807 4.8568 5.0350 5.1075 5.1283 5.3598 5.4659 5.4952 5.5228 5.9679 6.1633 8.9211 8.9300 9.1226 9.3081 9.5620 9.5630 9.6995 9.8107 11.2344 11.2535 11.6959 11.8015 k = 0.3333 0.5774 0.1642 ( 3648 PWs) bands (ev): -45.7993 -45.7993 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2479 -5.6967 -5.6967 -5.6500 -5.6499 -4.8685 -4.8685 -4.8233 -4.8233 -4.7828 -4.7827 -3.1796 -3.1491 -3.0513 -3.0496 4.5336 4.6792 4.8596 5.0376 5.1555 5.1742 5.3430 5.4056 5.4841 5.4980 5.9624 6.1576 8.9519 8.9615 9.1300 9.3196 9.5444 9.5713 9.6755 9.8213 11.2336 11.2524 11.6630 11.7713 k = 0.3333 0.5774 0.1751 ( 3654 PWs) bands (ev): -45.7994 -45.7993 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2480 -5.6968 -5.6967 -5.6500 -5.6499 -4.8685 -4.8685 -4.8234 -4.8234 -4.7828 -4.7827 -3.1803 -3.1495 -3.0505 -3.0492 4.5329 4.6782 4.8613 5.0393 5.2017 5.2208 5.3125 5.3520 5.4622 5.4996 5.9591 6.1541 8.9709 8.9810 9.1349 9.3275 9.5328 9.5770 9.6600 9.8279 11.2331 11.2516 11.6428 11.7527 k = 0.3333 0.5774 0.1861 ( 3660 PWs) bands (ev): -45.7994 -45.7994 -23.3924 -23.3771 -21.3385 -21.3067 -21.2579 -21.2480 -5.6968 -5.6968 -5.6500 -5.6500 -4.8686 -4.8686 -4.8234 -4.8234 -4.7829 -4.7828 -3.1806 -3.1496 -3.0502 -3.0490 4.5327 4.6779 4.8618 5.0399 5.2278 5.2568 5.2811 5.3235 5.4556 5.5002 5.9579 6.1529 8.9773 8.9876 9.1366 9.3303 9.5288 9.5789 9.6547 9.8301 11.2330 11.2514 11.6360 11.7465 Writing output data file NbInSe2.save init_run : 3.02s CPU 13.48s WALL ( 1 calls) electrons : 369.82s CPU 376.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.73s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 369.71s CPU 375.80s WALL ( 1 calls) v_of_rho : 0.36s CPU 0.90s WALL ( 1 calls) v_h : 0.04s CPU 0.07s WALL ( 1 calls) v_xc : 0.31s CPU 0.56s WALL ( 1 calls) newd : 0.22s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 350 calls) cegterg : 339.26s CPU 342.37s WALL ( 442 calls) Called by sum_band: Called by *egterg: h_psi : 153.77s CPU 158.86s WALL ( 7661 calls) s_psi : 12.25s CPU 12.55s WALL ( 7661 calls) g_psi : 0.46s CPU 0.49s WALL ( 6869 calls) cdiaghg : 125.63s CPU 124.45s WALL ( 7219 calls) cegterg:over : 34.77s CPU 32.68s WALL ( 6869 calls) cegterg:upda : 6.32s CPU 8.42s WALL ( 6869 calls) cegterg:last : 5.73s CPU 6.33s WALL ( 1492 calls) Called by h_psi: h_psi:vloc : 129.06s CPU 133.09s WALL ( 7661 calls) h_psi:vnl : 24.55s CPU 25.34s WALL ( 7661 calls) add_vuspsi : 6.99s CPU 9.72s WALL ( 7661 calls) General routines calbec : 17.54s CPU 15.56s WALL ( 7661 calls) fft : 0.48s CPU 1.43s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 123.66s CPU 126.89s WALL ( 904312 calls) interpolate : 0.07s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 1.69s WALL ( 700 calls) Parallel routines fft_scatter : 79.40s CPU 81.05s WALL ( 904335 calls) PWSCF : 7m 4.05s CPU 8m20.75s WALL This run was terminated on: 23: 1:22 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=